| 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 | 37.5 | Very low | 30.2 | Very low | 235 Ų | 235 | 168.6 Ų | 168.6 | 100% | 1.158 | 83% | 0.831 | S | S | * | * | 0 | 107.7 | 0 | -83.7 | -180 | 171.3 | 0 | 0 | 107.1 | W3 | M1-W3 PolarHBondContact O-N 3.44Š| |||
| 2 | D | 30.7 | Very low | 29.9 | Very low | 156 Ų | 156 | 164.8 Ų | 164.8 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -63.1 | 120.8 | -174.7 | -72.6 | -45.5 | 0 | 0 | 0 | 111.9 | ||||
| 3 | W | 30.2 | Very low | 29.7 | Very low | 250 Ų | 250 | 170.3 Ų | 170.3 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -124.8 | 84.8 | 158.4 | -83.5 | 74.7 | 0 | 0 | 0 | 108 | M1 | M1-W3 PolarHBondContact O-N 3.44Š| ||
| 4 | K | 28.4 | Very low | 29.8 | Very low | 177 Ų | 177 | 165.4 Ų | 165.4 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -86.6 | 136.4 | 166.4 | -95.8 | -176.1 | 175.1 | 173.3 | 0 | 109.6 | ||||
| 5 | Y | 31.4 | Very low | 29.7 | Very low | 192 Ų | 192 | 162 Ų | 162 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | 59.9 | 110 | 145.8 | -83.4 | -98.5 | 0 | 0 | 0 | 119.5 | ||||
| 6 | N | 30 | Very low | 29.7 | Very low | 140 Ų | 140 | 161.3 Ų | 161.3 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | -168.3 | 106.2 | 104.2 | -99.4 | -21.1 | 0 | 0 | 0 | 112.3 | H8 | N6-H8 PolarHBondContact O-N 3.17Š| |||
| 7 | S | 27.3 | Very low | 29.6 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | -76.7 | 99.8 | 160.7 | 49.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 8 | H | 29.8 | Very low | 29.4 | Very low | 167 Ų | 167 | 156.9 Ų | 156.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -139.4 | 71.4 | 162.8 | -89.9 | -77.5 | 0 | 0 | 0 | 109.2 | N6 | N6-H8 PolarHBondContact O-N 3.17Š| ||
| 9 | L | 31.3 | Very low | 29.3 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -91.3 | 99.1 | 164.4 | -80.7 | 162.7 | 0 | 0 | 0 | 108.2 | ||||
| 10 | N | 25.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -55.6 | 123 | 170.3 | -113.7 | -17.9 | 0 | 0 | 0 | 110.4 | T12 | N10-T12 VanDerWaalsContact C-N 3.33Å; N10-T12 PolarHBondContact O-N 3.41Å | ||
| 11 | P | 30.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 159 Ų | 159 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | -82.1 | 81.1 | 171.5 | 32.3 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 12 | T | 26.4 | Very low | 28.7 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -107.1 | 76.9 | 161.2 | 44 | 0 | 0 | 0 | 0 | 109.3 | N10 | N10-T12 VanDerWaalsContact C-N 3.33Å; N10-T12 PolarHBondContact O-N 3.41Å | ||
| 13 | R | 26.9 | Very low | 28.5 | Very low | 237 Ų | 237 | 151 Ų | 151 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -153.6 | 119.6 | 155.2 | -123 | 176.6 | -172.3 | -173.2 | 2.1 | 113.1 | ||
| 14 | S | 30.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 60.7 | 72.1 | 151.1 | 59.4 | 0 | 0 | 0 | 0 | 117.2 | L16 | S14-L16 VanDerWaalsContact C-N 3.25Å; S14-L16 PolarHBondContact O-N 3.07Å | ||
| 15 | S | 29.4 | Very low | 28.4 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -64 | 96.6 | 139.5 | 46 | 0 | 0 | 0 | 0 | 107.7 | S17 | S15-S17 PolarHBondContact O-N 3.49Š| ||
| 16 | L | 28.7 | Very low | 28.2 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -67.8 | 86.3 | 173.6 | -156.4 | 137.7 | 0 | 0 | 0 | 107.4 | S14 L18 | S14-L16 VanDerWaalsContact C-N 3.25Å; S14-L16 PolarHBondContact O-N 3.07Å; L16-L18 PolarHBondContact O-N 3.16Å; L16-L18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | S | 28 | Very low | 28.1 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 107.9 | 173.3 | 43.8 | 0 | 0 | 0 | 0 | 107.6 | S15 Q19 | S15-S17 PolarHBondContact O-N 3.49Å; S17-Q19 PolarHBondContact O-N 3.01Å | ||
| 18 | L | 26 | Very low | 28.1 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -61.4 | 85.5 | 166 | -85.9 | 156.3 | 0 | 0 | 0 | 108.1 | L16 L20 | L16-L18 PolarHBondContact O-N 3.16Å; L16-L18 VanDerWaalsContact O-N 3.15Å; L18-L20 PolarHBondContact O-N 3.41Å | ||
| 19 | Q | 27.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -66.3 | 101.7 | 163.1 | -76.4 | -171.5 | -22.6 | 0 | 0 | 106.9 | S17 E21 | S17-Q19 PolarHBondContact O-N 3.01Å; Q19-E21 PolarHBondContact O-N 3.03Å | ||
| 20 | L | 28.1 | Very low | 28 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -65.5 | 89.4 | 163.7 | -84.3 | 98 | 0 | 0 | 0 | 107.5 | L18 N22 | L18-L20 PolarHBondContact O-N 3.41Å; L20-N22 PolarHBondContact O-N 3.34Å | ||
| 21 | E | 28.7 | Very low | 28.2 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -73.6 | 122.2 | 166.4 | -157.6 | 166.1 | -168.1 | 0 | 0 | 108.6 | Q19 | Q19-E21 PolarHBondContact O-N 3.03Š| ||
| 22 | N | 28.2 | Very low | 28.2 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -71.2 | 139.1 | -175 | -69.2 | -51.1 | 0 | 0 | 0 | 111.2 | L20 | L20-N22 PolarHBondContact O-N 3.34Š| ||
| 23 | G | 25.2 | Very low | 28.6 | Very low | 68 Ų | 68 | 141.1 Ų | 141.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 110.2 | 120.7 | 141 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 24 | S | 27.3 | Very low | 28.9 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | 71.6 | 77.9 | 155.3 | 69.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 25 | F | 28.5 | Very low | 28.9 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | trans | -144.1 | 71.6 | 140.2 | -146 | -97.3 | 0 | 0 | 0 | 109.1 | ||||
| 26 | L | 27.6 | Very low | 29 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -114.6 | 47.9 | 177.5 | -84 | 177.1 | 0 | 0 | 0 | 110.6 | ||||
| 27 | T | 28.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -159.2 | 86.3 | 170.2 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 28 | S | 27.9 | Very low | 30.2 | Very low | 86 Ų | 86 | 142 Ų | 142 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | 157.6 | 66.6 | 142.8 | 63 | 0 | 0 | 0 | 0 | 112.2 | T30 | S28-T30 PolarHBondContact O-N 3.44Š| ||
| 29 | D | 29.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 94% | 0.941 | 76% | 0.764 | S | S | * | * | trans | -80.3 | 67.4 | 166.9 | -80.3 | -15.4 | 0 | 0 | 0 | 109.9 | ||||
| 30 | T | 29.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -131.9 | 52.6 | 158.9 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | S28 | S28-T30 PolarHBondContact O-N 3.44Š| ||
| 31 | C | 28.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | -130.8 | 98 | 155.3 | -104.7 | 0 | 0 | 0 | 0 | 107 | D33 | C31-D33 PolarHBondContact O-N 3.3Å; C31-D33 VanDerWaalsContact O-N 3.13Å | ||
| 32 | I | 30.8 | Very low | 32.2 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -74.5 | 94.5 | 158.9 | -64.2 | 172.5 | 0 | 0 | 0 | 103.5 | Q34 | I32-Q34 PolarHBondContact O-N 2.88Å; I32-Q34 VanDerWaalsContact O-N 3.09Å | ||
| 33 | D | 34.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | trans | -53.2 | 118.6 | 174.1 | -71.8 | -34.1 | 0 | 0 | 0 | 108.8 | C31 I35 | C31-D33 PolarHBondContact O-N 3.3Å; C31-D33 VanDerWaalsContact O-N 3.13Å; D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 PolarHBondContact O-N 2.93Å | ||
| 34 | Q | 33.4 | Very low | 33.2 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -66.3 | 93.8 | 166.1 | -75.7 | 177.6 | -30.6 | 0 | 0 | 107 | I32 Q36 | I32-Q34 PolarHBondContact O-N 2.88Å; I32-Q34 VanDerWaalsContact O-N 3.09Å; Q34-Q36 PolarHBondContact O-N 3.39Å | ||
| 35 | I | 31.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 64% | 0.641 | 74% | 0.738 | S | S | * | * | trans | -63 | 104.6 | 168.4 | -62.1 | 168.9 | 0 | 0 | 0 | 106.4 | D33 D39 L40 | D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 PolarHBondContact O-N 2.93Å; I35-D39 HydrophobicContact CG2-CB 3.79Å; I35-L40 HydrophobicContact CG2-CD1 4.18Å | ||
| 36 | Q | 31.8 | Very low | 33.9 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | -74.8 | 155.4 | 172.8 | -85.1 | -172.6 | -23 | 0 | 0 | 109.8 | Q34 D38 D39 | Q34-Q36 PolarHBondContact O-N 3.39Å; Q36-D38 PolarHBondContact O-N 3.34Å; Q36-D39 WeakPolarHBondContact O-CB 3.44Å; Q36-D39 PolarHBondContact O-N 2.93Å | ||
| 37 | L | 35 | Very low | 34.1 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -58.7 | -19.7 | -171.4 | -165.1 | 65.6 | 0 | 0 | 0 | 113.5 | D39 L40 | L37-D39 VanDerWaalsContact C-N 3.29Å; L37-D39 PolarHBondContact O-N 2.88Å; L37-L40 PolarHBondContact O-N 3.43Å |
| 38 | D | 46.7 | Very low | 34.7 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -70.2 | -23.3 | 178.2 | -59.8 | -24.9 | 0 | 0 | 0 | 112.8 | Q36 L40 V41 | Q36-D38 PolarHBondContact O-N 3.34Å; D38-L40 PolarHBondContact O-N 2.89Å; D38-V41 PolarHBondContact O-N 3.41Å |
| 39 | D | 43.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -72.4 | -10.6 | 177.6 | -71.9 | -25.4 | 0 | 0 | 0 | 113.4 | I35 Q36 L37 | I35-D39 HydrophobicContact CG2-CB 3.79Å; Q36-D39 WeakPolarHBondContact O-CB 3.44Å; Q36-D39 PolarHBondContact O-N 2.93Å; L37-D39 VanDerWaalsContact C-N 3.29Å; L37-D39 PolarHBondContact O-N 2.88Å |
| 40 | L | 33.6 | Very low | 35.3 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -93.7 | 6.8 | 178.8 | -81.2 | 93.7 | 0 | 0 | 0 | 113.8 | I35 L37 D38 A42 | I35-L40 HydrophobicContact CG2-CD1 4.18Å; L37-L40 PolarHBondContact O-N 3.43Å; D38-L40 PolarHBondContact O-N 2.89Å; L40-A42 PolarHBondContact O-N 3.45Å |
| 41 | V | 37.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -79.7 | 110 | 171.8 | -176 | 0 | 0 | 0 | 0 | 108.8 | D38 | D38-V41 PolarHBondContact O-N 3.41Š|
| 42 | A | 36.7 | Very low | 35.7 | Very low | 73 Ų | 73 | 137 Ų | 137 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | trans | -55.5 | 138 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L40 T44 | L40-A42 PolarHBondContact O-N 3.45Å; A42-T44 PolarHBondContact O-N 3.42Å | ||
| 43 | P | 34.7 | Very low | 35.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | trans | -64.9 | 102 | -176.1 | 24.6 | -31.9 | 0 | 0 | 0 | 109.7 | H45 | P43-H45 VanDerWaalsContact C-N 3.29Å; P43-H45 PolarHBondContact O-N 2.85Å; P43-H45 VanDerWaalsContact O-N 3.07Å | ||
| 44 | T | 39.8 | Very low | 36 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 77% | 0.767 | 74% | 0.739 | S | S | * | * | trans | -76.3 | 90.4 | 164 | 52.8 | 0 | 0 | 0 | 0 | 106.8 | A42 D46 | A42-T44 PolarHBondContact O-N 3.42Å; T44-D46 PolarHBondContact O-N 3.39Å | ||
| 45 | H | 36.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -54.9 | 112.6 | 162 | -120.2 | -72.3 | 0 | 0 | 0 | 107.7 | P43 C47 | P43-H45 VanDerWaalsContact C-N 3.29Å; P43-H45 PolarHBondContact O-N 2.85Å; P43-H45 VanDerWaalsContact O-N 3.07Å; H45-C47 PolarHBondContact O-N 3.16Å; H45-C47 VanDerWaalsContact O-N 3.1Å | ||
| 46 | D | 34.5 | Very low | 35.9 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 29 | 69.4 | 155.4 | -52.3 | -45 | 0 | 0 | 0 | 116.4 | T44 | T44-D46 PolarHBondContact O-N 3.39Š| ||
| 47 | C | 31.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | -110.7 | 84.7 | 160.2 | -84.4 | 0 | 0 | 0 | 0 | 109.1 | H45 C49 | H45-C47 PolarHBondContact O-N 3.16Å; H45-C47 VanDerWaalsContact O-N 3.1Å; C47-C49 PolarHBondContact O-N 3.41Å | ||
| 48 | S | 41.3 | Very low | 35.8 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 59.5 | 173.7 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 49 | C | 37.1 | Very low | 35.3 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 3.8 | 177 | -74.7 | 0 | 0 | 0 | 0 | 116.6 | C47 | C47-C49 PolarHBondContact O-N 3.41Š|
| 50 | F | 31.8 | Very low | 34.6 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -126.3 | 81.8 | 176.5 | -89.3 | -86.5 | 0 | 0 | 0 | 112.6 | L52 | F50-L52 HydrophobicContact CB-CD1 4.48Å; F50-L52 HydrophobicContact CD1-CD1 4.25Å; F50-L52 PolarHBondContact O-N 2.96Å | ||
| 51 | K | 32.4 | Very low | 34.3 | Very low | 209 Ų | 209 | 148.9 Ų | 148.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -79 | 97.1 | 158.4 | -80.4 | -179 | 176.8 | 176.8 | 0 | 108.1 | ||||
| 52 | L | 34.2 | Very low | 34 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 128.2 | 162.7 | -88.2 | 90.6 | 0 | 0 | 0 | 108.9 | F50 | F50-L52 HydrophobicContact CB-CD1 4.48Å; F50-L52 HydrophobicContact CD1-CD1 4.25Å; F50-L52 PolarHBondContact O-N 2.96Å | ||
| 53 | P | 33.1 | Very low | 33.4 | Very low | 103 Ų | 103 | 156 Ų | 156 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 148.4 | 175.6 | 27.4 | -31.9 | 0 | 0 | 0 | 111.1 | I55 | P53-I55 PolarHBondContact O-N 3.47Å; P53-I55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | P | 38.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 158.9 Ų | 158.9 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 113.7 | -176.1 | 26.7 | -33.2 | 0 | 0 | 0 | 111.1 | R56 | P54-R56 PolarHBondContact O-N 3.26Å; P54-R56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | I | 35.5 | Very low | 32.4 | Very low | 144 Ų | 144 | 164.4 Ų | 164.4 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -73.1 | 100.6 | 173.1 | -60.5 | 169 | 0 | 0 | 0 | 107.8 | P53 L57 | P53-I55 PolarHBondContact O-N 3.47Å; P53-I55 VanDerWaalsContact O-N 3.16Å; I55-L57 HydrophobicContact CG2-CG 4.3Å; I55-L57 PolarHBondContact O-N 2.91Å | ||
| 56 | R | 27.2 | Very low | 31.8 | Very low | 232 Ų | 232 | 164.5 Ų | 164.5 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | -70.7 | 93.6 | 168.3 | -74.3 | -158.7 | -179.5 | -154.6 | 3.4 | 109.5 | P54 K58 | P54-R56 PolarHBondContact O-N 3.26Å; P54-R56 VanDerWaalsContact O-N 3.09Å; R56-K58 PolarHBondContact O-N 3.07Å; R56-K58 VanDerWaalsContact O-N 3.08Å | ||
| 57 | L | 37.1 | Very low | 31.3 | Very low | 150 Ų | 150 | 167.8 Ų | 167.8 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -67.7 | 102.5 | 166.2 | -75.9 | 163.5 | 0 | 0 | 0 | 108.7 | I55 T59 | I55-L57 HydrophobicContact CG2-CG 4.3Å; I55-L57 PolarHBondContact O-N 2.91Å; L57-T59 PolarHBondContact O-N 2.98Å | ||
| 58 | K | 28.8 | Very low | 30.9 | Very low | 205 Ų | 205 | 168.4 Ų | 168.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -64 | 98.1 | 163.5 | -79.6 | -178.8 | 176.6 | 177.9 | 0 | 107.8 | R56 R60 | R56-K58 PolarHBondContact O-N 3.07Å; R56-K58 VanDerWaalsContact O-N 3.08Å; K58-R60 PolarHBondContact O-N 2.85Å; K58-R60 VanDerWaalsContact O-N 3.11Å | ||
| 59 | T | 36.2 | Very low | 30.3 | Very low | 128 Ų | 128 | 168 Ų | 168 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -64.8 | 107.6 | 166 | 37.3 | 0 | 0 | 0 | 0 | 108.2 | L57 K61 | L57-T59 PolarHBondContact O-N 2.98Å; T59-K61 PolarHBondContact O-N 2.99Å; T59-K61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | R | 27.7 | Very low | 29.8 | Very low | 240 Ų | 240 | 170.3 Ų | 170.3 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -66.6 | 108.5 | 171.3 | -164 | 175.9 | -173.1 | 176.5 | 1.3 | 107 | K58 L62 | K58-R60 PolarHBondContact O-N 2.85Å; K58-R60 VanDerWaalsContact O-N 3.11Å; R60-L62 PolarHBondContact O-N 3.27Å; R60-L62 VanDerWaalsContact O-N 3.1Å | ||
| 61 | K | 27.8 | Very low | 29.5 | Very low | 187 Ų | 187 | 170.3 Ų | 170.3 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -53.7 | 109.2 | 175.5 | -72.3 | 178 | 175.5 | -179.1 | 0 | 109.6 | T59 H63 | T59-K61 PolarHBondContact O-N 2.99Å; T59-K61 VanDerWaalsContact O-N 3.1Å; K61-H63 PolarHBondContact O-N 3.32Å | ||
| 62 | L | 31.4 | Very low | 29.3 | Very low | 163 Ų | 163 | 165.7 Ų | 165.7 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -78.8 | 109.2 | 158.3 | -94.5 | 150.9 | 0 | 0 | 0 | 106.8 | R60 H64 | R60-L62 PolarHBondContact O-N 3.27Å; R60-L62 VanDerWaalsContact O-N 3.1Å; L62-H64 PolarHBondContact O-N 2.84Å; L62-H64 VanDerWaalsContact O-N 3.15Å | ||
| 63 | H | 24.3 | Very low | 29.2 | Very low | 172 Ų | 172 | 166.4 Ų | 166.4 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 106.5 | 169.9 | -94 | -85 | 0 | 0 | 0 | 109.1 | K61 | K61-H63 PolarHBondContact O-N 3.32Š| ||
| 64 | H | 28.2 | Very low | 28.9 | Very low | 186 Ų | 186 | 168.4 Ų | 168.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -130.7 | 133.8 | 145.6 | -87.2 | -70.2 | 0 | 0 | 0 | 109.4 | L62 | L62-H64 PolarHBondContact O-N 2.84Å; L62-H64 VanDerWaalsContact O-N 3.15Å | ||
| 65 | R | 24.8 | Very low | 28.4 | Very low | 240 Ų | 240 | 169.1 Ų | 169.1 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -72 | 139.7 | -158.6 | -172.2 | 176.2 | -177.5 | 173.7 | -0.1 | 111.8 | ||||
| 66 | H | 23.6 | Very low | 28 | Very low | 164 Ų | 164 | 169 Ų | 169 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -32.1 | 129.4 | 165.5 | -95.8 | -66.7 | 0 | 0 | 0 | 115 | D68 | H66-D68 IonicContact ND1-OD2 3.02Š| ||
| 67 | K | 24.6 | Very low | 28.1 | Very low | 210 Ų | 210 | 161.8 Ų | 161.8 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -159.1 | 85.6 | 130.7 | -118.9 | -179.2 | 178.4 | -177 | 0 | 108.8 | ||||
| 68 | D | 23.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 160.7 Ų | 160.7 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 149.4 | 162.4 | -73.5 | -51.9 | 0 | 0 | 0 | 109.4 | H66 | H66-D68 IonicContact ND1-OD2 3.02Š| ||
| 69 | S | 27.4 | Very low | 27.5 | Very low | 112 Ų | 112 | 161.4 Ų | 161.4 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 67.2 | 103.1 | 170.5 | 69.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 70 | Q | 27.2 | Very low | 27 | Very low | 157 Ų | 157 | 160.3 Ų | 160.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 168.7 | 24.8 | 142.3 | -93.8 | -177.7 | 14.6 | 0 | 0 | 113.7 | ||||
| 71 | F | 26.5 | Very low | 26.8 | Very low | 188 Ų | 188 | 160.5 Ų | 160.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -99.9 | -10.5 | 172.6 | -141.1 | -96.9 | 0 | 0 | 0 | 114.2 | ||
| 72 | S | 28 | Very low | 26.7 | Very low | 112 Ų | 112 | 156.8 Ų | 156.8 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -99.1 | -7 | 178.1 | -157.2 | 0 | 0 | 0 | 0 | 115 | ||
| 73 | E | 30.7 | Very low | 26.5 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -99.3 | -5.6 | 172.7 | -79.3 | -178.1 | 155.3 | 0 | 0 | 113.1 | S77 | E73-S77 PolarHBondContact O-OG 3.19Š|
| 74 | K | 27.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -1.3 | -175.8 | -138.2 | 176.7 | -175.4 | 180 | 0 | 114.3 | ||
| 75 | L | 28.6 | Very low | 26.7 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -26.9 | 171.8 | -122.5 | 77.1 | 0 | 0 | 0 | 112.9 | ||
| 76 | D | 27.5 | Very low | 26.5 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -7.6 | -177.6 | -72.6 | -19.9 | 0 | 0 | 0 | 114.3 | ||
| 77 | S | 29 | Very low | 26.7 | Very low | 81 Ų | 81 | 143.9 Ų | 143.9 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 0.8 | 174.8 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | E73 | E73-S77 PolarHBondContact O-OG 3.19Š|
| 78 | I | 28.1 | Very low | 26.5 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 65% | 0.651 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -12.9 | 178.8 | -64.4 | 176.9 | 0 | 0 | 0 | 112.2 | ||
| 79 | Y | 24.3 | Very low | 26.6 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 6.9 | -176.4 | -102.7 | -83.3 | 0 | 0 | 0 | 117 | ||
| 80 | S | 25.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -134.9 | 63.4 | -177.9 | -54 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 81 | R | 22.7 | Very low | 26.3 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -150.6 | 89.1 | 161.8 | -169.9 | 168.1 | -89.5 | -173.6 | -6.6 | 110.9 | ||||
| 82 | S | 26.8 | Very low | 26 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -123.4 | 122.1 | 151.5 | 53.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 83 | S | 27.3 | Very low | 25.8 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 46.2 | 135.1 | 149 | 57.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 84 | L | 26 | Very low | 25.3 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | cis | -171.6 | 168.4 | 1.6 | -133.6 | 100.4 | 0 | 0 | 0 | 105 | ||||
| 85 | P | 29.5 | Very low | 24.9 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -103.1 | 175.1 | -166.1 | 39.9 | -34.1 | 0 | 0 | 0 | 115.6 | ||||
| 86 | N | 21.2 | Very low | 24.7 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 92.6 | 114.9 | 157 | -67.2 | -10.4 | 0 | 0 | 0 | 120.1 | ||||
| 87 | N | 27.6 | Very low | 24.4 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | 161.7 | 105.2 | 126.9 | -82.4 | -10 | 0 | 0 | 0 | 108 | |||||
| 88 | Q | 20.8 | Very low | 25.1 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | 37.7 | 116.1 | 92.8 | -74.1 | -171.9 | -2.2 | 0 | 0 | 114.4 | |||||
| 89 | I | 25.4 | Very low | 25 | Very low | 162 Ų | 162 | 143 Ų | 143 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | 178.8 | 132 | 115 | -84.4 | 152.8 | 0 | 0 | 0 | 108.8 | |||||
| 90 | A | 21.5 | Very low | 24.9 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -73.5 | 146.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 91 | I | 28.4 | Very low | 24.6 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -134.5 | 117.1 | 153.4 | -62.1 | -178 | 0 | 0 | 0 | 108.5 | ||||
| 92 | N | 20.2 | Very low | 25 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -85.3 | 174.8 | 170.3 | -77.3 | -29.7 | 0 | 0 | 0 | 111 | ||||
| 93 | T | 21.9 | Very low | 24.7 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 94.5 | 109.3 | 142.1 | 23.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 94 | S | 21.9 | Very low | 24.3 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | 73.2 | 112.1 | 120 | 68.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 95 | T | 19.4 | Very low | 23.9 | Very low | 144 Ų | 144 | 139 Ų | 139 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | 25.3 | 121.8 | 123.2 | 57.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 96 | G | 24 | Very low | 23.5 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -167.7 | 135.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 97 | K | 20.9 | Very low | 23.4 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -87.3 | -155.5 | -174.5 | -60.7 | 175.5 | 169.2 | 176.6 | 0 | 113 | ||||
| 98 | P | 43.8 | Very low | 23.1 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -123.4 | 160.4 | -106.4 | 38.7 | -19.6 | 0 | 0 | 0 | 115.6 | |||||
| 99 | Q | 24.7 | Very low | 23.3 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -147.1 | 114.8 | 158.4 | -79.8 | -171.2 | -28.9 | 0 | 0 | 113.4 | ||||
| 100 | Q | 22.5 | Very low | 23.2 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 55.6 | 106.8 | 130.1 | -63.2 | 173.6 | -10.6 | 0 | 0 | 122.5 | ||||
| 101 | Q | 20.3 | Very low | 23.4 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | 38 | 158.1 | 124.5 | -84.2 | 177.3 | -8.6 | 0 | 0 | 122.7 | |||||
| 102 | P | 29.9 | Very low | 23.3 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -138 | 170.2 | -2.5 | 37.4 | -17 | 0 | 0 | 0 | 117.6 | ||||
| 103 | Q | 20.4 | Very low | 23.3 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | 55.7 | 108.8 | 141.3 | -73.3 | 169.5 | -8.9 | 0 | 0 | 120.5 | ||||
| 104 | S | 19.3 | Very low | 23.4 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | 83.6 | 129.7 | 73.3 | 78.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 105 | I | 19.2 | Very low | 23.6 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | 101.7 | 102.8 | 147.1 | -66.9 | 164.3 | 0 | 0 | 0 | 118.4 | ||||
| 106 | Y | 19.5 | Very low | 23.8 | Very low | 190 Ų | 190 | 148 Ų | 148 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | trans | 68.8 | 128.8 | 137.9 | -70.4 | -101 | 0 | 0 | 0 | 122.6 | ||||
| 107 | Q | 20.3 | Very low | 23.9 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | 88.4 | 110.8 | 135.5 | -79.5 | 166.6 | -14.5 | 0 | 0 | 119.7 | ||||
| 108 | L | 19.8 | Very low | 24.1 | Very low | 134 Ų | 134 | 152 Ų | 152 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 72.5 | 89.5 | 127.4 | -152.5 | 75.7 | 0 | 0 | 0 | 116.8 | |||||
| 109 | N | 26.3 | Very low | 23.2 | Very low | 168 Ų | 168 | 154.2 Ų | 154.2 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | -148.4 | 82.5 | 129.6 | -95.2 | -21.4 | 0 | 0 | 0 | 108.3 | L111 | N109-L111 PolarHBondContact O-N 3.36Š| |||
| 110 | E | 22.1 | Very low | 23.2 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 114.3 | 163.3 | -74.6 | 176.7 | 129.1 | 0 | 0 | 109.3 | ||||
| 111 | L | 26.3 | Very low | 23.3 | Very low | 166 Ų | 166 | 151.7 Ų | 151.7 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -153.9 | 78 | 132.5 | -160.2 | 73 | 0 | 0 | 0 | 109.3 | N109 | N109-L111 PolarHBondContact O-N 3.36Š| ||
| 112 | N | 26.3 | Very low | 23.6 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 24.1 | 108.4 | 139.8 | -71.5 | -5 | 0 | 0 | 0 | 119 | ||||
| 113 | D | 20.9 | Very low | 23.4 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | -34.8 | 128.8 | 125.8 | -62.7 | -53.2 | 0 | 0 | 0 | 110.2 | |||||
| 114 | D | 23.3 | Very low | 23.7 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -148.8 | 97.8 | 74.1 | -76.7 | -42.6 | 0 | 0 | 0 | 110.1 | |||||
| 115 | T | 25.9 | Very low | 23.9 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -118.6 | 50.4 | 163.7 | 2.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 116 | T | 23.5 | Very low | 24.1 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -142.1 | 119.1 | 160.8 | -17.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 117 | Q | 26.7 | Very low | 24.3 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 94.3 | 25.8 | 150.4 | -49.9 | -164.7 | -16.2 | 0 | 0 | 122.8 | ||
| 118 | Q | 25.7 | Very low | 24.6 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -143.1 | 73.6 | 154.9 | -73.6 | -166.6 | -4.9 | 0 | 0 | 113.7 | ||||
| 119 | L | 25.5 | Very low | 25 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -142.5 | 77.1 | 142.8 | -127.6 | 130.5 | 0 | 0 | 0 | 108.6 | ||||
| 120 | C | 23.9 | Very low | 24.9 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 69% | 0.689 | 81% | 0.809 | S | S | * | * | trans | -42.9 | 139 | 161 | -77.5 | 0 | 0 | 0 | 0 | 110.6 | Q122 | C120-Q122 PolarHBondContact O-N 2.87Š| ||
| 121 | Q | 25.6 | Very low | 25.3 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | 24.7 | 77.8 | 135 | -71.4 | 174.8 | -17.7 | 0 | 0 | 115.1 | ||||
| 122 | Q | 26.5 | Very low | 25.4 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -121.9 | 51.4 | 150.4 | -79.7 | -172.2 | -9.3 | 0 | 0 | 109.4 | C120 A124 | C120-Q122 PolarHBondContact O-N 2.87Å; Q122-A124 VanDerWaalsContact C-N 3.27Å; Q122-A124 PolarHBondContact O-N 3.27Å | ||
| 123 | N | 25.3 | Very low | 25.9 | Very low | 172 Ų | 172 | 148 Ų | 148 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 62 | 156.6 | -91.1 | -13.7 | 0 | 0 | 0 | 109.1 | ||||
| 124 | A | 26.1 | Very low | 26.1 | Very low | 74 Ų | 74 | 149.7 Ų | 149.7 | 61% | 0.612 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -178.4 | 126.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q122 | Q122-A124 VanDerWaalsContact C-N 3.27Å; Q122-A124 PolarHBondContact O-N 3.27Å |
| 125 | T | 23.5 | Very low | 26.1 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 73.5 | 84.3 | 174.9 | 66 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 126 | N | 24.5 | Very low | 26.3 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | -150.7 | 108.9 | 121.2 | -100.9 | -20.7 | 0 | 0 | 0 | 112.3 | |||||
| 127 | K | 22.7 | Very low | 26.5 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -69.4 | 142.5 | 155.1 | -121.2 | 178.1 | 179.2 | 178.8 | 0 | 107.5 | ||||
| 128 | L | 26.7 | Very low | 27.1 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | 104.5 | 110.8 | 169.9 | -84.1 | 99.4 | 0 | 0 | 0 | 114.8 | ||||
| 129 | S | 27.5 | Very low | 27.4 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | -175.6 | 140.4 | 80.6 | 39.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 130 | I | 24.7 | Very low | 27.6 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -79.5 | 124.5 | 171.6 | -68.6 | 162.4 | 0 | 0 | 0 | 106.8 | ||||
| 131 | S | 31 | Very low | 27.9 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -146.4 | 108.1 | 156.2 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | S | 27.7 | Very low | 27.9 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 33.9 | 100.6 | 146 | 54.7 | 0 | 0 | 0 | 0 | 118.5 | K134 | S132-K134 PolarHBondContact O-N 2.94Š| ||
| 133 | I | 36.1 | Very low | 28.4 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -80.3 | 110.3 | 160.6 | -65.4 | 166.9 | 0 | 0 | 0 | 107.7 | ||||
| 134 | K | 25 | Very low | 28.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 122.1 | 176.1 | -172.1 | 175.7 | 179.8 | -173.7 | 0 | 109.1 | S132 E136 | S132-K134 PolarHBondContact O-N 2.94Å; K134-E136 PolarHBondContact O-N 3.12Å | ||
| 135 | L | 25 | Very low | 29 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -69.3 | 118.7 | 169 | -80.6 | 117.7 | 0 | 0 | 0 | 108.7 | ||||
| 136 | E | 29.6 | Very low | 29.6 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -118.3 | 117.2 | 165.7 | -155.6 | 163.8 | -146.6 | 0 | 0 | 107.8 | K134 P138 | K134-E136 PolarHBondContact O-N 3.12Å; E136-P138 WeakPolarHBondContact O-CD 3.27Å | ||
| 137 | V | 28.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -87.1 | 114.4 | -179.4 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 138 | P | 37.6 | Very low | 31.5 | Very low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 125.2 | 172.2 | -4.3 | 22.6 | 0 | 0 | 0 | 109 | E136 | E136-P138 WeakPolarHBondContact O-CD 3.27Š|
| 139 | V | 33 | Very low | 32.6 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 128.2 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 140 | L | 29.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.6 | 177 | -78.1 | 101.6 | 0 | 0 | 0 | 112.4 | ||
| 141 | P | 30 | Very low | 35.3 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 133.4 | 149.2 | 13.3 | 4.1 | 0 | 0 | 0 | 110.7 | ||
| 142 | F | 26.1 | Very low | 36.4 | Very low | 206 Ų | 206 | 143.7 Ų | 143.7 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -66 | 124.2 | 174.7 | -81.4 | -99.8 | 0 | 0 | 0 | 111.7 | ||
| 143 | A | 35.9 | Very low | 38.3 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -154.3 | 133.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 144 | N | 31.9 | Very low | 40.1 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -69.9 | 155.9 | -166.9 | -81.2 | -36.6 | 0 | 0 | 0 | 115.4 | ||||
| 145 | Q | 32.4 | Very low | 42.4 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | 78 | 92.1 | 153.4 | -70.9 | 174.9 | 6.3 | 0 | 0 | 120.2 | ||||
| 146 | K | 36.8 | Very low | 45 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | -172.3 | 91.3 | 128.3 | -111.8 | 179.4 | 179.1 | 176.1 | 0 | 109.4 | |||||
| 147 | Q | 39.4 | Very low | 47.4 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -102.6 | 7.4 | -169 | -162.4 | 155.3 | -16.4 | 0 | 0 | 115.9 | ||||
| 148 | D | 47 | Very low | 50 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -100.5 | -24.6 | -176.2 | -74.1 | -25.9 | 0 | 0 | 0 | 116.2 | ||
| 149 | N | 49.9 | Very low | 52 | Low | 107 Ų | 107 | 132 Ų | 132 | 57% | 0.572 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.5 | -26.2 | -176.9 | -71.1 | -12.1 | 0 | 0 | 0 | 113.6 | I153 | N149-I153 WeakPolarHBondContact O-CD1 3.47Å; N149-I153 VanDerWaalsContact O-CG1 3.27Å; N149-I153 WeakPolarHBondContact O-CG1 3.45Å; N149-I153 PolarHBondContact O-N 3.44Å |
| 150 | T | 54.2 | Low | 54.2 | Low | 87 Ų | 87 | 133.9 Ų | 133.9 | 53% | 0.534 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -74.2 | -33.8 | -173.1 | -40.2 | 0 | 0 | 0 | 0 | 112.1 | N154 | T150-N154 WeakPolarHBondContact O-CB 3.41Å; T150-N154 PolarHBondContact O-N 3.17Å; T150-N154 VanDerWaalsContact O-N 3.16Å |
| 151 | Q | 54.8 | Low | 56.7 | Low | 136 Ų | 136 | 128.9 Ų | 128.9 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.3 | -41.9 | 177 | -76.2 | -172.2 | -6.7 | 0 | 0 | 111.8 | N154 Q155 | Q151-N154 PolarHBondContact O-N 3.15Å; Q151-Q155 PolarHBondContact O-N 2.84Å |
| 152 | Q | 55.1 | Low | 59.3 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 59% | 0.593 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.2 | -37.8 | -178.8 | -154.8 | 165.9 | 4.3 | 0 | 0 | 112.5 | N154 Q155 N156 | Q152-N154 VanDerWaalsContact C-N 3.34Å; Q152-N154 PolarHBondContact O-N 3.14Å; Q152-Q155 PolarHBondContact O-N 2.84Å; Q152-N156 PolarHBondContact O-N 3.39Å; Q152-N156 VanDerWaalsContact O-N 3.07Å |
| 153 | I | 66.2 | Low | 62 | Low | 90 Ų | 90 | 123.8 Ų | 123.8 | 46% | 0.462 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.7 | -39.7 | 173.1 | -68.7 | 167.7 | 0 | 0 | 0 | 111.2 | N149 N156 K157 | N149-I153 WeakPolarHBondContact O-CD1 3.47Å; N149-I153 VanDerWaalsContact O-CG1 3.27Å; N149-I153 WeakPolarHBondContact O-CG1 3.45Å; N149-I153 PolarHBondContact O-N 3.44Å; I153-N156 PolarHBondContact O-N 2.77Å; I153-K157 HydrophobicContact CG2-CD 4.28Å; I153-K157 WeakPolarHBondContact O-CB 3.41Å; I153-K157 WeakPolarHBondContact O-CG 3.28Å; I153-K157 PolarHBondContact O-N 3.17Å |
| 154 | N | 74.6 | Confident | 64.2 | Low | 93 Ų | 93 | 127.8 Ų | 127.8 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.1 | -39.4 | 177.8 | -81.8 | -14 | 0 | 0 | 0 | 112.4 | T150 Q151 Q152 K157 L158 | T150-N154 WeakPolarHBondContact O-CB 3.41Å; T150-N154 PolarHBondContact O-N 3.17Å; T150-N154 VanDerWaalsContact O-N 3.16Å; Q151-N154 PolarHBondContact O-N 3.15Å; Q152-N154 VanDerWaalsContact C-N 3.34Å; Q152-N154 PolarHBondContact O-N 3.14Å; N154-K157 PolarHBondContact O-N 3.34Å; N154-L158 VanDerWaalsContact O-CB 3.32Å; N154-L158 WeakPolarHBondContact O-CB 3.32Å; N154-L158 PolarHBondContact O-N 3.1Å |
| 155 | Q | 73.9 | Confident | 66.4 | Low | 131 Ų | 131 | 126.1 Ų | 126.1 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.2 | -43.9 | 173.1 | -76.9 | -173.5 | -13.8 | 0 | 0 | 111.8 | Q151 Q152 L158 Q159 | Q151-Q155 PolarHBondContact O-N 2.84Å; Q152-Q155 PolarHBondContact O-N 2.84Å; Q155-L158 PolarHBondContact O-N 2.78Å; Q155-Q159 WeakPolarHBondContact O-CB 3.49Å; Q155-Q159 VanDerWaalsContact O-CG 3.28Å; Q155-Q159 WeakPolarHBondContact O-CG 3.44Å; Q155-Q159 PolarHBondContact O-N 2.75Å |
| 156 | N | 79.7 | Confident | 68.5 | Low | 97 Ų | 97 | 125.5 Ų | 125.5 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 176.9 | -76.3 | -18.8 | 0 | 0 | 0 | 112.1 | Q152 I153 L158 Q159 W160 | Q152-N156 PolarHBondContact O-N 3.39Å; Q152-N156 VanDerWaalsContact O-N 3.07Å; I153-N156 PolarHBondContact O-N 2.77Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3Å; N156-Q159 PolarHBondContact O-N 2.72Å; N156-W160 WeakPolarHBondContact O-CB 3.46Å; N156-W160 VanDerWaalsContact O-CD1 3.24Å; N156-W160 PolarHBondContact O-N 3.18Å |
| 157 | K | 79.6 | Confident | 70.3 | Confident | 138 Ų | 138 | 122.3 Ų | 122.3 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.8 | -40.8 | 174.5 | -78.5 | -178.9 | 179.8 | 177.2 | 0 | 111.9 | I153 N154 W160 A161 | I153-K157 HydrophobicContact CG2-CD 4.28Å; I153-K157 WeakPolarHBondContact O-CB 3.41Å; I153-K157 WeakPolarHBondContact O-CG 3.28Å; I153-K157 PolarHBondContact O-N 3.17Å; N154-K157 PolarHBondContact O-N 3.34Å; K157-W160 PolarHBondContact O-N 2.81Å; K157-A161 WeakPolarHBondContact O-CB 3.5Å; K157-A161 PolarHBondContact O-N 2.87Å |
| 158 | L | 81.8 | Confident | 72.1 | Confident | 115 Ų | 115 | 122.4 Ų | 122.4 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.2 | -47.4 | 176.5 | -173.6 | 68.9 | 0 | 0 | 0 | 111.1 | N154 Q155 N156 W160 A161 V162 | N154-L158 VanDerWaalsContact O-CB 3.32Å; N154-L158 WeakPolarHBondContact O-CB 3.32Å; N154-L158 PolarHBondContact O-N 3.1Å; Q155-L158 PolarHBondContact O-N 2.78Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3Å; L158-W160 VanDerWaalsContact C-N 3.33Å; L158-W160 PolarHBondContact O-N 2.82Å; L158-A161 PolarHBondContact O-N 2.78Å; L158-A161 VanDerWaalsContact O-N 3.16Å; L158-V162 HydrophobicContact CG-CG2 4.5Å; L158-V162 WeakPolarHBondContact O-CB 3.35Å; L158-V162 VanDerWaalsContact O-CG2 3.27Å; L158-V162 WeakPolarHBondContact O-CG2 3.27Å; L158-V162 PolarHBondContact O-N 3.35Å |
| 159 | Q | 79.4 | Confident | 73.1 | Confident | 113 Ų | 113 | 122 Ų | 122 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.7 | -43.8 | 175.5 | -74.8 | -72.9 | -20.1 | 0 | 0 | 111.9 | Q155 N156 V162 K163 | Q155-Q159 WeakPolarHBondContact O-CB 3.49Å; Q155-Q159 VanDerWaalsContact O-CG 3.28Å; Q155-Q159 WeakPolarHBondContact O-CG 3.44Å; Q155-Q159 PolarHBondContact O-N 2.75Å; N156-Q159 PolarHBondContact O-N 2.72Å; Q159-V162 PolarHBondContact O-N 2.92Å; Q159-K163 WeakPolarHBondContact O-CG 3.4Å; Q159-K163 PolarHBondContact O-N 3.44Å |
| 160 | W | 80.2 | Confident | 73.9 | Confident | 175 Ų | 175 | 119.9 Ų | 119.9 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.4 | -39.9 | 175.3 | -88.8 | 100.1 | 0 | 0 | 0 | 112.9 | N156 K157 L158 R164 | N156-W160 WeakPolarHBondContact O-CB 3.46Å; N156-W160 VanDerWaalsContact O-CD1 3.24Å; N156-W160 PolarHBondContact O-N 3.18Å; K157-W160 PolarHBondContact O-N 2.81Å; L158-W160 VanDerWaalsContact C-N 3.33Å; L158-W160 PolarHBondContact O-N 2.82Å; W160-R164 WeakPolarHBondContact O-CB 3.45Å; W160-R164 PolarHBondContact O-N 2.84Å; W160-R164 VanDerWaalsContact O-N 3.07Å |
| 161 | A | 82.8 | Confident | 73.7 | Confident | 45 Ų | 45 | 124 Ų | 124 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K157 L158 R164 L165 | K157-A161 WeakPolarHBondContact O-CB 3.5Å; K157-A161 PolarHBondContact O-N 2.87Å; L158-A161 PolarHBondContact O-N 2.78Å; L158-A161 VanDerWaalsContact O-N 3.16Å; A161-R164 PolarHBondContact O-N 3.34Å; A161-L165 WeakPolarHBondContact O-CG 3.4Å; A161-L165 PolarHBondContact O-N 2.94Å |
| 162 | V | 83.7 | Confident | 74.3 | Confident | 81 Ų | 81 | 124.8 Ų | 124.8 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.8 | -47.1 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L158 Q159 R164 L165 Y166 | L158-V162 HydrophobicContact CG-CG2 4.5Å; L158-V162 WeakPolarHBondContact O-CB 3.35Å; L158-V162 VanDerWaalsContact O-CG2 3.27Å; L158-V162 WeakPolarHBondContact O-CG2 3.27Å; L158-V162 PolarHBondContact O-N 3.35Å; Q159-V162 PolarHBondContact O-N 2.92Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 3.48Å; V162-L165 PolarHBondContact O-N 3.18Å; V162-Y166 WeakPolarHBondContact O-CB 3.4Å; V162-Y166 PolarHBondContact O-N 2.82Å |
| 163 | K | 83.7 | Confident | 74.8 | Confident | 141 Ų | 141 | 122.7 Ų | 122.7 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.1 | -38.5 | 175.4 | -77.1 | -178.6 | -179.2 | 179.5 | 0 | 112.4 | Q159 K167 | Q159-K163 WeakPolarHBondContact O-CG 3.4Å; Q159-K163 PolarHBondContact O-N 3.44Å; K163-K167 WeakPolarHBondContact O-CB 3.36Å; K163-K167 PolarHBondContact O-N 3.07Å |
| 164 | R | 81 | Confident | 75 | Confident | 184 Ų | 184 | 122.7 Ų | 122.7 | 69% | 0.694 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.7 | -40.5 | 179.2 | -154.5 | -174.2 | -62.2 | -176.5 | -0.5 | 111.9 | W160 A161 V162 K168 | W160-R164 WeakPolarHBondContact O-CB 3.45Å; W160-R164 PolarHBondContact O-N 2.84Å; W160-R164 VanDerWaalsContact O-N 3.07Å; A161-R164 PolarHBondContact O-N 3.34Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 3.48Å; R164-K168 WeakPolarHBondContact O-CB 3.33Å; R164-K168 PolarHBondContact O-N 3.11Å |
| 165 | L | 78.1 | Confident | 74.7 | Confident | 117 Ų | 117 | 120.1 Ų | 120.1 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -45.8 | 173.7 | -77.4 | 169.4 | 0 | 0 | 0 | 111.3 | A161 V162 K168 H169 | A161-L165 WeakPolarHBondContact O-CG 3.4Å; A161-L165 PolarHBondContact O-N 2.94Å; V162-L165 PolarHBondContact O-N 3.18Å; L165-K168 PolarHBondContact O-N 2.91Å; L165-H169 WeakPolarHBondContact O-CB 3.45Å; L165-H169 PolarHBondContact O-N 3.14Å |
| 166 | Y | 76.4 | Confident | 74.5 | Confident | 170 Ų | 170 | 117 Ų | 117 | 67% | 0.667 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.2 | -51.1 | 176.5 | -171.9 | -94.5 | 0 | 0 | 0 | 111.1 | V162 K168 H169 D170 | V162-Y166 WeakPolarHBondContact O-CB 3.4Å; V162-Y166 PolarHBondContact O-N 2.82Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; Y166-K168 PolarHBondContact O-N 2.99Å; Y166-H169 PolarHBondContact O-N 2.95Å; Y166-D170 WeakPolarHBondContact O-CB 3.48Å; Y166-D170 PolarHBondContact O-N 3.46Å |
| 167 | K | 74.8 | Confident | 74.1 | Confident | 128 Ų | 128 | 118.2 Ų | 118.2 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.9 | -41 | 177.4 | -168.8 | 174.9 | -177.3 | 177.6 | 0 | 112.5 | K163 W171 | K163-K167 WeakPolarHBondContact O-CB 3.36Å; K163-K167 PolarHBondContact O-N 3.07Å; K167-W171 WeakPolarHBondContact O-CB 3.4Å; K167-W171 PolarHBondContact O-N 3.37Å |
| 168 | K | 76.4 | Confident | 74 | Confident | 162 Ų | 162 | 118.5 Ų | 118.5 | 70% | 0.704 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.1 | -40.3 | 176.8 | -173.6 | 176.3 | -178.1 | 178.6 | 0 | 112.1 | R164 L165 Y166 K172 | R164-K168 WeakPolarHBondContact O-CB 3.33Å; R164-K168 PolarHBondContact O-N 3.11Å; L165-K168 PolarHBondContact O-N 2.91Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; Y166-K168 PolarHBondContact O-N 2.99Å; K168-K172 WeakPolarHBondContact O-CB 3.39Å; K168-K172 PolarHBondContact O-N 3.38Å; K168-K172 VanDerWaalsContact O-N 3.12Å |
| 169 | H | 68.7 | Low | 73.8 | Confident | 125 Ų | 125 | 119.6 Ų | 119.6 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -45.2 | 176.6 | -125.6 | -76.6 | 0 | 0 | 0 | 111.1 | L165 Y166 K172 I173 | L165-H169 WeakPolarHBondContact O-CB 3.45Å; L165-H169 PolarHBondContact O-N 3.14Å; Y166-H169 PolarHBondContact O-N 2.95Å; H169-K172 WeakPolarHBondContact O-CB 3.25Å; H169-K172 PolarHBondContact O-N 2.8Å; H169-K172 VanDerWaalsContact O-N 3.14Å; H169-I173 VanDerWaalsContact O-CG1 3.25Å; H169-I173 WeakPolarHBondContact O-CG1 3.42Å; H169-I173 PolarHBondContact O-N 3.1Å |
| 170 | D | 66.8 | Low | 73.8 | Confident | 63 Ų | 63 | 120 Ų | 120 | 34% | 0.337 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 178.9 | -160.2 | 26 | 0 | 0 | 0 | 111.4 | Y166 K172 I173 I174 | Y166-D170 WeakPolarHBondContact O-CB 3.48Å; Y166-D170 PolarHBondContact O-N 3.46Å; D170-K172 VanDerWaalsContact C-N 3.3Å; D170-K172 PolarHBondContact O-N 2.76Å; D170-I173 CarbonylContact O-C 3.51Å; D170-I173 PolarHBondContact O-N 2.84Å; D170-I174 WeakPolarHBondContact O-CB 3.29Å; D170-I174 WeakPolarHBondContact O-CD1 3.25Å; D170-I174 WeakPolarHBondContact O-CG1 3.5Å; D170-I174 PolarHBondContact O-N 3.08Å |
| 171 | W | 50.9 | Low | 73.9 | Confident | 174 Ų | 174 | 114.2 Ų | 114.2 | 66% | 0.659 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -36.1 | 173.4 | -78.5 | 44.2 | 0 | 0 | 0 | 112.8 | K167 G175 | K167-W171 WeakPolarHBondContact O-CB 3.4Å; K167-W171 PolarHBondContact O-N 3.37Å; W171-G175 PolarHBondContact O-N 3.35Å |
| 172 | K | 66.7 | Low | 74.1 | Confident | 152 Ų | 152 | 116.5 Ų | 116.5 | 66% | 0.661 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.8 | -41.7 | 175.2 | -161.8 | 177.7 | -177 | -175.1 | 0 | 110.7 | K168 H169 D170 G175 T176 | K168-K172 WeakPolarHBondContact O-CB 3.39Å; K168-K172 PolarHBondContact O-N 3.38Å; K168-K172 VanDerWaalsContact O-N 3.12Å; H169-K172 WeakPolarHBondContact O-CB 3.25Å; H169-K172 PolarHBondContact O-N 2.8Å; H169-K172 VanDerWaalsContact O-N 3.14Å; D170-K172 VanDerWaalsContact C-N 3.3Å; D170-K172 PolarHBondContact O-N 2.76Å; K172-G175 PolarHBondContact O-N 3.44Å; K172-T176 WeakPolarHBondContact O-CB 3.47Å; K172-T176 VanDerWaalsContact O-CG2 3.29Å; K172-T176 WeakPolarHBondContact O-CG2 3.21Å; K172-T176 PolarHBondContact O-N 2.89Å; K172-T176 PolarHBondContact O-OG1 3.22Å; K172-T176 VanDerWaalsContact O-OG1 3.1Å |
| 173 | I | 66.1 | Low | 74.2 | Confident | 82 Ų | 82 | 117.2 Ų | 117.2 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -52.2 | 175.9 | -66.8 | 162.3 | 0 | 0 | 0 | 109.8 | H169 D170 G175 T176 H177 | H169-I173 VanDerWaalsContact O-CG1 3.25Å; H169-I173 WeakPolarHBondContact O-CG1 3.42Å; H169-I173 PolarHBondContact O-N 3.1Å; D170-I173 CarbonylContact O-C 3.51Å; D170-I173 PolarHBondContact O-N 2.84Å; I173-G175 VanDerWaalsContact C-N 3.33Å; I173-G175 PolarHBondContact O-N 2.93Å; I173-T176 WeakPolarHBondContact CA-OG1 3.33Å; I173-T176 PolarHBondContact O-N 3.42Å; I173-T176 PolarHBondContact O-OG1 3.26Å; I173-H177 WeakPolarHBondContact O-CB 3.42Å; I173-H177 PolarHBondContact O-N 3.47Å |
| 174 | I | 68.9 | Low | 74.4 | Confident | 91 Ų | 91 | 116.2 Ų | 116.2 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 175.9 | -67.7 | 159.2 | 0 | 0 | 0 | 111 | D170 H177 K178 | D170-I174 WeakPolarHBondContact O-CB 3.29Å; D170-I174 WeakPolarHBondContact O-CD1 3.25Å; D170-I174 WeakPolarHBondContact O-CG1 3.5Å; D170-I174 PolarHBondContact O-N 3.08Å; I174-H177 PolarHBondContact O-N 3.41Å; I174-K178 VanDerWaalsContact O-CB 3.25Å; I174-K178 WeakPolarHBondContact O-CB 3.14Å; I174-K178 PolarHBondContact O-N 2.82Å |
| 175 | G | 68.6 | Low | 74.8 | Confident | 39 Ų | 39 | 113.3 Ų | 113.3 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W171 K172 I173 K179 | W171-G175 PolarHBondContact O-N 3.35Å; K172-G175 PolarHBondContact O-N 3.44Å; I173-G175 VanDerWaalsContact C-N 3.33Å; I173-G175 PolarHBondContact O-N 2.93Å; G175-K179 WeakPolarHBondContact O-CB 3.29Å; G175-K179 PolarHBondContact O-N 2.97Å |
| 176 | T | 70.2 | Confident | 75.2 | Confident | 66 Ų | 66 | 111.9 Ų | 111.9 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 173.7 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | K172 I173 K178 K179 H180 | K172-T176 WeakPolarHBondContact O-CB 3.47Å; K172-T176 VanDerWaalsContact O-CG2 3.29Å; K172-T176 WeakPolarHBondContact O-CG2 3.21Å; K172-T176 PolarHBondContact O-N 2.89Å; K172-T176 PolarHBondContact O-OG1 3.22Å; K172-T176 VanDerWaalsContact O-OG1 3.1Å; I173-T176 WeakPolarHBondContact CA-OG1 3.33Å; I173-T176 PolarHBondContact O-N 3.42Å; I173-T176 PolarHBondContact O-OG1 3.26Å; T176-K178 PolarHBondContact O-N 2.85Å; T176-K179 PolarHBondContact O-N 3.27Å; T176-H180 WeakPolarHBondContact O-CB 3.44Å; T176-H180 PolarHBondContact O-CD2 3.4Å; T176-H180 PolarHBondContact O-N 3.44Å |
| 177 | H | 71 | Confident | 75.8 | Confident | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -47.5 | 176.1 | -117.6 | -81.5 | 0 | 0 | 0 | 110.7 | I173 I174 K179 H180 T181 | I173-H177 WeakPolarHBondContact O-CB 3.42Å; I173-H177 PolarHBondContact O-N 3.47Å; I174-H177 PolarHBondContact O-N 3.41Å; H177-K179 PolarHBondContact O-N 3.39Å; H177-H180 CarbonylContact O-C 3.6Å; H177-H180 PolarHBondContact O-N 2.68Å; H177-T181 WeakPolarHBondContact O-CB 3.37Å; H177-T181 VanDerWaalsContact O-CG2 3.28Å; H177-T181 WeakPolarHBondContact O-CG2 3.47Å; H177-T181 PolarHBondContact O-N 2.93Å; H177-T181 PolarHBondContact O-OG1 3.37Å; H177-T181 VanDerWaalsContact O-OG1 3.1Å |
| 178 | K | 77 | Confident | 76.5 | Confident | 143 Ų | 143 | 105.6 Ų | 105.6 | 62% | 0.622 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 177.5 | -169.3 | 173.7 | -177.5 | 177.1 | 0 | 111.3 | I174 T176 T181 E182 | I174-K178 VanDerWaalsContact O-CB 3.25Å; I174-K178 WeakPolarHBondContact O-CB 3.14Å; I174-K178 PolarHBondContact O-N 2.82Å; T176-K178 PolarHBondContact O-N 2.85Å; K178-T181 VanDerWaalsContact CA-OG1 3.29Å; K178-T181 WeakPolarHBondContact CA-OG1 3.31Å; K178-T181 PolarHBondContact O-N 3.21Å; K178-T181 PolarHBondContact O-OG1 3.11Å; K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 2.79Å |
| 179 | K | 79.1 | Confident | 77.2 | Confident | 139 Ų | 139 | 106 Ų | 106 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 176.1 | -171.4 | 178.3 | -179.7 | 180 | 0 | 111.9 | G175 T176 H177 E182 Q183 | G175-K179 WeakPolarHBondContact O-CB 3.29Å; G175-K179 PolarHBondContact O-N 2.97Å; T176-K179 PolarHBondContact O-N 3.27Å; H177-K179 PolarHBondContact O-N 3.39Å; K179-E182 PolarHBondContact O-N 3.4Å; K179-Q183 WeakPolarHBondContact O-CB 3.28Å; K179-Q183 VanDerWaalsContact O-CG 3.29Å; K179-Q183 WeakPolarHBondContact O-CG 3.11Å; K179-Q183 PolarHBondContact O-N 2.94Å |
| 180 | H | 79.4 | Confident | 78.1 | Confident | 121 Ų | 121 | 102.8 Ų | 102.8 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 176.3 | -79.9 | -69.2 | 0 | 0 | 0 | 112 | T176 H177 Q183 L184 | T176-H180 WeakPolarHBondContact O-CB 3.44Å; T176-H180 PolarHBondContact O-CD2 3.4Å; T176-H180 PolarHBondContact O-N 3.44Å; H177-H180 CarbonylContact O-C 3.6Å; H177-H180 PolarHBondContact O-N 2.68Å; H180-Q183 PolarHBondContact O-N 3.35Å; H180-L184 VanDerWaalsContact O-CB 3.27Å; H180-L184 WeakPolarHBondContact O-CB 3.24Å; H180-L184 PolarHBondContact O-N 3.03Å |
| 181 | T | 82.7 | Confident | 79.2 | Confident | 53 Ų | 53 | 105 Ų | 105 | 33% | 0.325 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 112 | H177 K178 L184 K185 | H177-T181 WeakPolarHBondContact O-CB 3.37Å; H177-T181 VanDerWaalsContact O-CG2 3.28Å; H177-T181 WeakPolarHBondContact O-CG2 3.47Å; H177-T181 PolarHBondContact O-N 2.93Å; H177-T181 PolarHBondContact O-OG1 3.37Å; H177-T181 VanDerWaalsContact O-OG1 3.1Å; K178-T181 VanDerWaalsContact CA-OG1 3.29Å; K178-T181 WeakPolarHBondContact CA-OG1 3.31Å; K178-T181 PolarHBondContact O-N 3.21Å; K178-T181 PolarHBondContact O-OG1 3.11Å; T181-L184 PolarHBondContact O-N 2.91Å; T181-K185 WeakPolarHBondContact O-CB 3.47Å; T181-K185 VanDerWaalsContact O-CG 3.24Å; T181-K185 WeakPolarHBondContact O-CG 3.44Å; T181-K185 PolarHBondContact O-N 2.97Å |
| 182 | E | 85.7 | Confident | 81.1 | Confident | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.9 | -37.4 | 177 | -69.2 | -51.3 | 131 | 0 | 0 | 111.7 | K178 K179 K185 H186 | K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 2.79Å; K179-E182 PolarHBondContact O-N 3.4Å; E182-K185 PolarHBondContact O-N 2.79Å; E182-K185 IonicContact OE1-NZ 3.28Å; E182-K185 PolarHBondContact OE1-NZ 3.39Å; E182-H186 VanDerWaalsContact O-CB 3.28Å; E182-H186 WeakPolarHBondContact O-CB 3.37Å; E182-H186 PolarHBondContact O-N 3.27Å |
| 183 | Q | 86.7 | Confident | 82.1 | Confident | 97 Ų | 97 | 97.6 Ų | 97.6 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 170.9 | -75 | 178.8 | -17.3 | 0 | 0 | 111.8 | K179 H180 H186 L187 | K179-Q183 WeakPolarHBondContact O-CB 3.28Å; K179-Q183 VanDerWaalsContact O-CG 3.29Å; K179-Q183 WeakPolarHBondContact O-CG 3.11Å; K179-Q183 PolarHBondContact O-N 2.94Å; H180-Q183 PolarHBondContact O-N 3.35Å; Q183-H186 PolarHBondContact O-N 2.85Å; Q183-L187 WeakPolarHBondContact O-CB 3.47Å; Q183-L187 VanDerWaalsContact O-CG 3.31Å; Q183-L187 WeakPolarHBondContact O-CG 3.44Å; Q183-L187 PolarHBondContact O-N 3.41Å |
| 184 | L | 87.8 | Confident | 83.3 | Confident | 119 Ų | 119 | 95.1 Ų | 95.1 | 62% | 0.623 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 177.4 | -176.5 | 63.4 | 0 | 0 | 0 | 111.6 | H180 T181 H186 L187 C188 | H180-L184 VanDerWaalsContact O-CB 3.27Å; H180-L184 WeakPolarHBondContact O-CB 3.24Å; H180-L184 PolarHBondContact O-N 3.03Å; T181-L184 PolarHBondContact O-N 2.91Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 3.1Å; L184-L187 PolarHBondContact O-N 3.1Å; L184-C188 VanDerWaalsContact O-CB 3.25Å; L184-C188 WeakPolarHBondContact O-CB 3.39Å; L184-C188 PolarHBondContact O-N 3.48Å |
| 185 | K | 89.3 | Confident | 84.3 | Confident | 124 Ų | 124 | 98 Ų | 98 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 173.7 | -75.6 | 174.5 | -172.4 | 172.6 | 0 | 111.4 | T181 E182 C188 R189 | T181-K185 WeakPolarHBondContact O-CB 3.47Å; T181-K185 VanDerWaalsContact O-CG 3.24Å; T181-K185 WeakPolarHBondContact O-CG 3.44Å; T181-K185 PolarHBondContact O-N 2.97Å; E182-K185 PolarHBondContact O-N 2.79Å; E182-K185 IonicContact OE1-NZ 3.28Å; E182-K185 PolarHBondContact OE1-NZ 3.39Å; K185-C188 PolarHBondContact O-N 3.45Å; K185-R189 VanDerWaalsContact O-CB 3.26Å; K185-R189 WeakPolarHBondContact O-CB 3.35Å; K185-R189 PolarHBondContact O-N 3.46Å |
| 186 | H | 86.8 | Confident | 85.4 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 40% | 0.398 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.9 | -172.3 | -94.2 | 0 | 0 | 0 | 112 | E182 Q183 L184 R189 Q190 | E182-H186 VanDerWaalsContact O-CB 3.28Å; E182-H186 WeakPolarHBondContact O-CB 3.37Å; E182-H186 PolarHBondContact O-N 3.27Å; Q183-H186 PolarHBondContact O-N 2.85Å; L184-H186 VanDerWaalsContact C-N 3.32Å; L184-H186 PolarHBondContact O-N 3.1Å; H186-R189 PolarHBondContact CD2-NH2 2.99Å; H186-R189 PolarHBondContact O-N 3.41Å; H186-Q190 PolarHBondContact CE1-NE2 2.85Å; H186-Q190 WeakPolarHBondContact O-CG 3.29Å; H186-Q190 PolarHBondContact O-N 3.31Å |
| 187 | L | 88.5 | Confident | 86.4 | Confident | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.7 | -74.4 | 170 | 0 | 0 | 0 | 111.6 | Q183 L184 R189 Q190 I191 | Q183-L187 WeakPolarHBondContact O-CB 3.47Å; Q183-L187 VanDerWaalsContact O-CG 3.31Å; Q183-L187 WeakPolarHBondContact O-CG 3.44Å; Q183-L187 PolarHBondContact O-N 3.41Å; L184-L187 PolarHBondContact O-N 3.1Å; L187-R189 PolarHBondContact O-N 2.95Å; L187-Q190 WeakPolarHBondContact O-CB 3.28Å; L187-Q190 PolarHBondContact O-N 2.9Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.38Å; L187-I191 PolarHBondContact O-N 3.34Å |
| 188 | C | 90.5 | Very high | 87.4 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 53% | 0.527 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | L184 K185 Q190 I191 L192 | L184-C188 VanDerWaalsContact O-CB 3.25Å; L184-C188 WeakPolarHBondContact O-CB 3.39Å; L184-C188 PolarHBondContact O-N 3.48Å; K185-C188 PolarHBondContact O-N 3.45Å; C188-Q190 VanDerWaalsContact C-N 3.32Å; C188-Q190 PolarHBondContact O-N 3.45Å; C188-I191 PolarHBondContact O-N 2.83Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.25Å; C188-L192 PolarHBondContact O-N 3.49Å |
| 189 | R | 89.4 | Confident | 88.2 | Confident | 169 Ų | 169 | 87.1 Ų | 87.1 | 64% | 0.638 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.7 | -39 | 175 | -174.2 | 174.3 | 66.9 | 173.3 | 1.8 | 112.4 | K185 H186 L187 W193 | K185-R189 VanDerWaalsContact O-CB 3.26Å; K185-R189 WeakPolarHBondContact O-CB 3.35Å; K185-R189 PolarHBondContact O-N 3.46Å; H186-R189 PolarHBondContact CD2-NH2 2.99Å; H186-R189 PolarHBondContact O-N 3.41Å; L187-R189 PolarHBondContact O-N 2.95Å; R189-W193 VanDerWaalsContact O-CB 3.27Å; R189-W193 WeakPolarHBondContact O-CB 3.28Å; R189-W193 PolarHBondContact O-N 2.87Å |
| 190 | Q | 88.8 | Confident | 88.9 | Confident | 58 Ų | 58 | 85 Ų | 85 | 27% | 0.271 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 174.4 | -77 | -176 | -8.4 | 0 | 0 | 111.9 | H186 L187 C188 W193 Y194 | H186-Q190 PolarHBondContact CE1-NE2 2.85Å; H186-Q190 WeakPolarHBondContact O-CG 3.29Å; H186-Q190 PolarHBondContact O-N 3.31Å; L187-Q190 WeakPolarHBondContact O-CB 3.28Å; L187-Q190 PolarHBondContact O-N 2.9Å; C188-Q190 VanDerWaalsContact C-N 3.32Å; C188-Q190 PolarHBondContact O-N 3.45Å; Q190-W193 PolarHBondContact O-N 3.39Å; Q190-Y194 HydrophobicContact CB-CE2 4.03Å; Q190-Y194 WeakPolarHBondContact O-CD1 3.49Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.42Å; Q190-Y194 PolarHBondContact O-N 3.32Å |
| 191 | I | 88.8 | Confident | 89.6 | Confident | 110 Ų | 110 | 79.8 Ų | 79.8 | 56% | 0.564 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 179 | -68.6 | 163.9 | 0 | 0 | 0 | 110.4 | L187 C188 W193 Y194 F195 | L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.38Å; L187-I191 PolarHBondContact O-N 3.34Å; C188-I191 PolarHBondContact O-N 2.83Å; I191-W193 VanDerWaalsContact C-N 3.31Å; I191-W193 PolarHBondContact O-N 3.45Å; I191-Y194 WeakPolarHBondContact O-CB 3.48Å; I191-Y194 PolarHBondContact O-N 3.44Å; I191-Y194 VanDerWaalsContact O-N 3.17Å; I191-F195 PolarHBondContact O-N 3.44Å |
| 192 | L | 90.5 | Very high | 90.1 | Very high | 110 Ų | 110 | 77.4 Ų | 77.4 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.2 | -45.1 | 175.9 | -180 | 62.7 | 0 | 0 | 0 | 111 | C188 Y194 F195 L196 | C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.25Å; C188-L192 PolarHBondContact O-N 3.49Å; L192-Y194 VanDerWaalsContact C-N 3.33Å; L192-Y194 PolarHBondContact O-N 3.45Å; L192-F195 PolarHBondContact O-N 3.26Å; L192-L196 VanDerWaalsContact O-CB 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 PolarHBondContact O-N 3.32Å |
| 193 | W | 89.3 | Confident | 90.5 | Very high | 61 Ų | 61 | 77 Ų | 77 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 178.4 | -165.2 | 84.6 | 0 | 0 | 0 | 112.6 | R189 Q190 I191 T197 M454 K458 | R189-W193 VanDerWaalsContact O-CB 3.27Å; R189-W193 WeakPolarHBondContact O-CB 3.28Å; R189-W193 PolarHBondContact O-N 2.87Å; Q190-W193 PolarHBondContact O-N 3.39Å; I191-W193 VanDerWaalsContact C-N 3.31Å; I191-W193 PolarHBondContact O-N 3.45Å; W193-T197 HydrophobicContact CD2-CG2 3.98Å; W193-T197 HydrophobicContact CE3-CG2 3.96Å; W193-T197 HydrophobicContact CH2-CG2 3.4Å; W193-T197 VanDerWaalsContact CH2-CG2 3.4Å; W193-T197 HydrophobicContact CZ2-CG2 3.46Å; W193-T197 VanDerWaalsContact CZ2-CG2 3.46Å; W193-T197 HydrophobicContact CZ3-CG2 3.66Å; W193-T197 WeakPolarHBondContact O-CB 3.32Å; W193-T197 WeakPolarHBondContact O-CG2 3.47Å; W193-T197 PolarHBondContact O-N 3Å; W193-T197 PolarHBondContact O-OG1 3.12Å; W193-M454 HydrophobicContact CH2-CB 4.23Å; W193-M454 WeakPolarHBondContact CH2-O 3.23Å; W193-M454 HydrophobicContact CZ2-CB 4.24Å; W193-K458 HydrophobicContact CD2-CB 4.47Å; W193-K458 HydrophobicContact CD2-CD 4.09Å; W193-K458 HydrophobicContact CE3-CB 3.73Å; W193-K458 HydrophobicContact CE3-CD 4.18Å; W193-K458 HydrophobicContact CH2-CB 3.41Å; W193-K458 VanDerWaalsContact CH2-CB 3.41Å; W193-K458 HydrophobicContact CH2-CD 3.49Å; W193-K458 VanDerWaalsContact CH2-CD 3.49Å; W193-K458 HydrophobicContact CH2-CG 4.02Å; W193-K458 HydrophobicContact CZ2-CB 4.18Å; W193-K458 HydrophobicContact CZ2-CD 3.33Å; W193-K458 HydrophobicContact CZ2-CG 4.36Å; W193-K458 HydrophobicContact CZ3-CB 3.16Å; W193-K458 HydrophobicContact CZ3-CD 3.92Å; W193-K458 HydrophobicContact CZ3-CG 4.17Å |
| 194 | Y | 89.9 | Confident | 90.9 | Very high | 29 Ų | 29 | 73.3 Ų | 73.3 | 11% | 0.114 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 173.6 | -62.2 | -27.2 | 0 | 0 | 0 | 112.9 | Q190 I191 L192 T197 T198 K458 S459 I463 | Q190-Y194 HydrophobicContact CB-CE2 4.03Å; Q190-Y194 WeakPolarHBondContact O-CD1 3.49Å; Q190-Y194 WeakPolarHBondContact O-CD2 3.42Å; Q190-Y194 PolarHBondContact O-N 3.32Å; I191-Y194 WeakPolarHBondContact O-CB 3.48Å; I191-Y194 PolarHBondContact O-N 3.44Å; I191-Y194 VanDerWaalsContact O-N 3.17Å; L192-Y194 VanDerWaalsContact C-N 3.33Å; L192-Y194 PolarHBondContact O-N 3.45Å; Y194-T197 PolarHBondContact O-OG1 3.31Å; Y194-T198 VanDerWaalsContact O-CB 3.29Å; Y194-T198 WeakPolarHBondContact O-CB 3.29Å; Y194-T198 PolarHBondContact O-N 2.83Å; Y194-T198 PolarHBondContact O-OG1 3.02Å; Y194-K458 VanDerWaalsContact CE1-O 3.23Å; Y194-K458 WeakPolarHBondContact CE1-O 3.25Å; Y194-K458 PolarHBondContact OH-O 3.38Å; Y194-K458 VanDerWaalsContact OH-O 3.13Å; Y194-S459 WeakPolarHBondContact CD1-OG 3.24Å; Y194-I463 HydrophobicContact CD1-CD1 4.13Å; Y194-I463 HydrophobicContact CD2-CD1 3.32Å; Y194-I463 HydrophobicContact CE2-CD1 3.8Å; Y194-I463 HydrophobicContact CG-CD1 3.5Å |
| 195 | F | 90.7 | Very high | 91.3 | Very high | 151 Ų | 151 | 68.9 Ų | 68.9 | 66% | 0.662 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.3 | -48.6 | 173.9 | -178.5 | -97.9 | 0 | 0 | 0 | 110.3 | I191 L192 T197 T198 A199 | I191-F195 PolarHBondContact O-N 3.44Å; L192-F195 PolarHBondContact O-N 3.26Å; F195-T197 PolarHBondContact O-N 3.3Å; F195-T198 PolarHBondContact O-N 3.2Å; F195-A199 WeakPolarHBondContact O-CB 3.35Å; F195-A199 PolarHBondContact O-N 3.43Å |
| 196 | L | 91.7 | Very high | 91.6 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | -179.2 | -171.7 | 64.4 | 0 | 0 | 0 | 112.2 | L192 T198 A199 F200 | L192-L196 VanDerWaalsContact O-CB 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 PolarHBondContact O-N 3.32Å; L196-T198 VanDerWaalsContact C-N 3.34Å; L196-T198 PolarHBondContact O-N 3.38Å; L196-A199 PolarHBondContact O-N 3.11Å; L196-F200 HydrophobicContact CD1-CD2 3.85Å; L196-F200 HydrophobicContact CD1-CE2 3.26Å; L196-F200 HydrophobicContact CD1-CZ 3.97Å; L196-F200 HydrophobicContact CD2-CE2 4.07Å; L196-F200 HydrophobicContact CG-CD2 3.73Å; L196-F200 HydrophobicContact CG-CE2 3.43Å; L196-F200 VanDerWaalsContact CG-CE2 3.43Å; L196-F200 WeakPolarHBondContact O-CD2 3.27Å; L196-F200 PolarHBondContact O-N 3.29Å |
| 197 | T | 91.2 | Very high | 92 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 177.9 | 48.5 | 0 | 0 | 0 | 0 | 113 | W193 Y194 F195 I201 | W193-T197 HydrophobicContact CD2-CG2 3.98Å; W193-T197 HydrophobicContact CE3-CG2 3.96Å; W193-T197 HydrophobicContact CH2-CG2 3.4Å; W193-T197 VanDerWaalsContact CH2-CG2 3.4Å; W193-T197 HydrophobicContact CZ2-CG2 3.46Å; W193-T197 VanDerWaalsContact CZ2-CG2 3.46Å; W193-T197 HydrophobicContact CZ3-CG2 3.66Å; W193-T197 WeakPolarHBondContact O-CB 3.32Å; W193-T197 WeakPolarHBondContact O-CG2 3.47Å; W193-T197 PolarHBondContact O-N 3Å; W193-T197 PolarHBondContact O-OG1 3.12Å; Y194-T197 PolarHBondContact O-OG1 3.31Å; F195-T197 PolarHBondContact O-N 3.3Å; T197-I201 WeakPolarHBondContact O-CB 3.31Å; T197-I201 WeakPolarHBondContact O-CD1 3.26Å; T197-I201 WeakPolarHBondContact O-CG1 3.45Å; T197-I201 PolarHBondContact O-N 3.34Å |
| 198 | T | 92.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | Y194 F195 L196 F200 I201 S202 Q467 C470 | Y194-T198 VanDerWaalsContact O-CB 3.29Å; Y194-T198 WeakPolarHBondContact O-CB 3.29Å; Y194-T198 PolarHBondContact O-N 2.83Å; Y194-T198 PolarHBondContact O-OG1 3.02Å; F195-T198 PolarHBondContact O-N 3.2Å; L196-T198 VanDerWaalsContact C-N 3.34Å; L196-T198 PolarHBondContact O-N 3.38Å; T198-F200 PolarHBondContact O-N 2.81Å; T198-I201 PolarHBondContact O-N 2.86Å; T198-S202 WeakPolarHBondContact O-CB 3.27Å; T198-S202 PolarHBondContact O-N 3.44Å; T198-S202 PolarHBondContact O-OG 3.42Å; T198-Q467 HydrophobicContact CG2-CG 3.89Å; T198-Q467 PolarHBondContact OG1-NE2 3.41Å; T198-Q467 VanDerWaalsContact OG1-NE2 3.16Å; T198-C470 HydrophobicContact CG2-CB 4.24Å |
| 199 | A | 92.5 | Very high | 92.5 | Very high | 35 Ų | 35 | 54 Ų | 54 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F195 L196 T203 | F195-A199 WeakPolarHBondContact O-CB 3.35Å; F195-A199 PolarHBondContact O-N 3.43Å; L196-A199 PolarHBondContact O-N 3.11Å; A199-T203 VanDerWaalsContact O-CB 3.22Å; A199-T203 WeakPolarHBondContact O-CB 3.37Å; A199-T203 PolarHBondContact O-N 3Å; A199-T203 PolarHBondContact O-OG1 2.99Å |
| 200 | F | 94 | Very high | 92.7 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -47.2 | 177.8 | -78.8 | -56.7 | 0 | 0 | 0 | 113 | L196 T198 S202 T203 S204 F451 | L196-F200 HydrophobicContact CD1-CD2 3.85Å; L196-F200 HydrophobicContact CD1-CE2 3.26Å; L196-F200 HydrophobicContact CD1-CZ 3.97Å; L196-F200 HydrophobicContact CD2-CE2 4.07Å; L196-F200 HydrophobicContact CG-CD2 3.73Å; L196-F200 HydrophobicContact CG-CE2 3.43Å; L196-F200 VanDerWaalsContact CG-CE2 3.43Å; L196-F200 WeakPolarHBondContact O-CD2 3.27Å; L196-F200 PolarHBondContact O-N 3.29Å; T198-F200 PolarHBondContact O-N 2.81Å; F200-S202 PolarHBondContact O-N 3.23Å; F200-T203 PolarHBondContact O-N 3.39Å; F200-S204 WeakPolarHBondContact O-CB 3.44Å; F200-S204 PolarHBondContact O-N 2.87Å; F200-S204 PolarHBondContact O-OG 3.2Å; F200-S204 VanDerWaalsContact O-OG 3.06Å; F200-F451 HydrophobicContact CB-CD1 4.19Å; F200-F451 HydrophobicContact CB-CD2 3.74Å; F200-F451 HydrophobicContact CB-CE1 4.22Å; F200-F451 HydrophobicContact CB-CE2 3.79Å; F200-F451 HydrophobicContact CB-CG 3.97Å; F200-F451 HydrophobicContact CB-CZ 4.03Å; F200-F451 HydrophobicContact CD1-CE2 4.27Å; F200-F451 HydrophobicContact CD1-CZ 4.13Å; F200-F451 HydrophobicContact CD2-CE1 4.34Å; F200-F451 HydrophobicContact CD2-CZ 4.49Å; F200-F451 HydrophobicContact CG-CE1 4.23Å; F200-F451 HydrophobicContact CG-CE2 4.18Å; F200-F451 AromaticContact CG-CZ 4Å; F200-F451 HydrophobicContact CG-CZ 4Å |
| 201 | I | 94.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 177.8 | -69 | 166 | 0 | 0 | 0 | 110.2 | T197 T198 T203 S204 F205 F451 | T197-I201 WeakPolarHBondContact O-CB 3.31Å; T197-I201 WeakPolarHBondContact O-CD1 3.26Å; T197-I201 WeakPolarHBondContact O-CG1 3.45Å; T197-I201 PolarHBondContact O-N 3.34Å; T198-I201 PolarHBondContact O-N 2.86Å; I201-T203 VanDerWaalsContact C-N 3.35Å; I201-T203 PolarHBondContact O-N 3.13Å; I201-S204 PolarHBondContact O-N 2.93Å; I201-F205 WeakPolarHBondContact O-CB 3.34Å; I201-F205 PolarHBondContact O-N 3.34Å; I201-F451 HydrophobicContact CD1-CB 4.22Å; I201-F451 HydrophobicContact CG1-CB 3.41Å; I201-F451 VanDerWaalsContact CG1-CB 3.41Å |
| 202 | S | 93.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.1 | -37.6 | -176.7 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | T198 F200 F205 V206 Q467 C470 | T198-S202 WeakPolarHBondContact O-CB 3.27Å; T198-S202 PolarHBondContact O-N 3.44Å; T198-S202 PolarHBondContact O-OG 3.42Å; F200-S202 PolarHBondContact O-N 3.23Å; S202-F205 PolarHBondContact O-N 3.23Å; S202-V206 VanDerWaalsContact O-CG2 3.28Å; S202-V206 WeakPolarHBondContact O-CG2 3.26Å; S202-V206 PolarHBondContact O-N 3.01Å; S202-Q467 PolarHBondContact OG-O 2.89Å; S202-C470 VanDerWaalsContact OG-CB 3.31Å; S202-C470 WeakPolarHBondContact OG-CB 3.25Å |
| 203 | T | 93.6 | Very high | 93.3 | Very high | 85 Ų | 85 | 36.1 Ų | 36.1 | 52% | 0.521 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66 | -47.4 | 175.3 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | A199 F200 I201 F205 V206 C207 | A199-T203 VanDerWaalsContact O-CB 3.22Å; A199-T203 WeakPolarHBondContact O-CB 3.37Å; A199-T203 PolarHBondContact O-N 3Å; A199-T203 PolarHBondContact O-OG1 2.99Å; F200-T203 PolarHBondContact O-N 3.39Å; I201-T203 VanDerWaalsContact C-N 3.35Å; I201-T203 PolarHBondContact O-N 3.13Å; T203-F205 VanDerWaalsContact C-N 3.26Å; T203-F205 PolarHBondContact O-N 3.09Å; T203-V206 PolarHBondContact O-N 2.86Å; T203-C207 VanDerWaalsContact O-CB 3.29Å; T203-C207 WeakPolarHBondContact O-CB 3.45Å; T203-C207 PolarHBondContact O-N 2.88Å |
| 204 | S | 95.5 | Very high | 93.4 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -36.6 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | F200 I201 F208 | F200-S204 WeakPolarHBondContact O-CB 3.44Å; F200-S204 PolarHBondContact O-N 2.87Å; F200-S204 PolarHBondContact O-OG 3.2Å; F200-S204 VanDerWaalsContact O-OG 3.06Å; I201-S204 PolarHBondContact O-N 2.93Å; S204-F208 WeakPolarHBondContact O-CB 3.32Å; S204-F208 PolarHBondContact O-N 3.47Å |
| 205 | F | 95.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 11% | 0.114 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 178 | -171.8 | -98.8 | 0 | 0 | 0 | 113 | I201 S202 T203 F208 I209 Y304 T320 I448 A471 | I201-F205 WeakPolarHBondContact O-CB 3.34Å; I201-F205 PolarHBondContact O-N 3.34Å; S202-F205 PolarHBondContact O-N 3.23Å; T203-F205 VanDerWaalsContact C-N 3.26Å; T203-F205 PolarHBondContact O-N 3.09Å; F205-F208 WeakPolarHBondContact O-CB 3.11Å; F205-F208 PolarHBondContact O-N 3.37Å; F205-I209 HydrophobicContact CD1-CD1 3.87Å; F205-I209 HydrophobicContact CE1-CD1 3.23Å; F205-I209 HydrophobicContact CE1-CG1 4.17Å; F205-I209 HydrophobicContact CZ-CD1 3.57Å; F205-I209 HydrophobicContact CZ-CG1 4.23Å; F205-I209 PolarHBondContact O-N 3.13Å; F205-Y304 WeakPolarHBondContact CZ-OH 3.29Å; F205-T320 HydrophobicContact CE1-CG2 4.1Å; F205-T320 HydrophobicContact CE2-CG2 3.71Å; F205-T320 HydrophobicContact CZ-CG2 3.19Å; F205-I448 HydrophobicContact CB-CD1 4.28Å; F205-I448 HydrophobicContact CB-CG1 4.28Å; F205-I448 HydrophobicContact CD2-CD1 3.97Å; F205-A471 HydrophobicContact CD1-CB 3.38Å; F205-A471 HydrophobicContact CE1-CB 3.79Å; F205-A471 HydrophobicContact CG-CB 4.5Å |
| 206 | V | 94.8 | Very high | 93.5 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | S202 T203 F208 I209 E210 A471 I474 C475 | S202-V206 VanDerWaalsContact O-CG2 3.28Å; S202-V206 WeakPolarHBondContact O-CG2 3.26Å; S202-V206 PolarHBondContact O-N 3.01Å; T203-V206 PolarHBondContact O-N 2.86Å; V206-F208 PolarHBondContact O-N 3.43Å; V206-I209 PolarHBondContact O-N 3.34Å; V206-I209 VanDerWaalsContact O-N 3.14Å; V206-E210 HydrophobicContact CG1-CG 4Å; V206-E210 WeakPolarHBondContact O-CB 3.36Å; V206-E210 WeakPolarHBondContact O-CG 3.47Å; V206-E210 PolarHBondContact O-N 3.04Å; V206-A471 HydrophobicContact CG2-CB 4.24Å; V206-I474 HydrophobicContact CB-CG2 4.14Å; V206-I474 HydrophobicContact CG1-CG2 4.19Å; V206-I474 HydrophobicContact CG2-CB 3.81Å; V206-I474 HydrophobicContact CG2-CG2 3.58Å; V206-C475 VanDerWaalsContact CG2-SG 3.56Å |
| 207 | C | 94.9 | Very high | 93.4 | Very high | 52 Ų | 52 | 27 Ų | 27 | 35% | 0.351 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.1 | -39.9 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | T203 C211 | T203-C207 VanDerWaalsContact O-CB 3.29Å; T203-C207 WeakPolarHBondContact O-CB 3.45Å; T203-C207 PolarHBondContact O-N 2.88Å; C207-C211 VanDerWaalsContact O-CB 3.22Å; C207-C211 WeakPolarHBondContact O-CB 3.02Å; C207-C211 PolarHBondContact O-N 3.34Å; C207-C211 PolarHBondContact O-SG 3.22Å |
| 208 | F | 96.2 | Very high | 93 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -49.5 | 175.5 | 178.3 | -111.1 | 0 | 0 | 0 | 112.1 | S204 F205 V206 E210 C211 V212 I240 I301 Y304 V441 S444 Y445 I448 | S204-F208 WeakPolarHBondContact O-CB 3.32Å; S204-F208 PolarHBondContact O-N 3.47Å; F205-F208 WeakPolarHBondContact O-CB 3.11Å; F205-F208 PolarHBondContact O-N 3.37Å; V206-F208 PolarHBondContact O-N 3.43Å; F208-E210 VanDerWaalsContact C-N 3.3Å; F208-E210 PolarHBondContact O-N 2.83Å; F208-C211 PolarHBondContact O-N 2.78Å; F208-V212 HydrophobicContact CD2-CG2 4.23Å; F208-V212 HydrophobicContact CE2-CG2 3.97Å; F208-V212 HydrophobicContact CZ-CG2 4.22Å; F208-V212 VanDerWaalsContact O-CG2 3.25Å; F208-V212 WeakPolarHBondContact O-CG2 3Å; F208-V212 PolarHBondContact O-N 2.79Å; F208-I240 HydrophobicContact CE2-CD1 3.63Å; F208-I240 HydrophobicContact CZ-CD1 4.04Å; F208-I301 HydrophobicContact CZ-CD1 4.01Å; F208-Y304 AromaticContact CD1-CE1 3.95Å; F208-Y304 HydrophobicContact CD1-CE1 3.95Å; F208-Y304 AromaticContact CE1-CD1 3.52Å; F208-Y304 HydrophobicContact CE1-CD1 3.52Å; F208-Y304 AromaticContact CE1-CE1 3.35Å; F208-Y304 HydrophobicContact CE1-CE1 3.35Å; F208-Y304 HydrophobicContact CZ-CD1 4.13Å; F208-Y304 HydrophobicContact CZ-CE1 4.36Å; F208-V441 HydrophobicContact CD2-CG1 3.93Å; F208-V441 HydrophobicContact CE2-CG1 3.65Å; F208-S444 WeakPolarHBondContact CA-OG 3.46Å; F208-Y445 HydrophobicContact CD2-CD2 4.01Å; F208-Y445 HydrophobicContact CE1-CD2 4.26Å; F208-Y445 AromaticContact CE2-CD2 3.66Å; F208-Y445 HydrophobicContact CE2-CD2 3.66Å; F208-Y445 HydrophobicContact CE2-CG 4.34Å; F208-Y445 HydrophobicContact CG-CD2 4.49Å; F208-Y445 AromaticContact CZ-CD2 3.81Å; F208-Y445 HydrophobicContact CZ-CD2 3.81Å; F208-Y445 HydrophobicContact CZ-CE2 4.25Å; F208-I448 HydrophobicContact CB-CD1 3.73Å; F208-I448 HydrophobicContact CD1-CD1 4.29Å; F208-I448 HydrophobicContact CG-CD1 4.04Å |
| 209 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 179.7 | -71.9 | 179.9 | 0 | 0 | 0 | 111.8 | F205 V206 P213 L308 P313 A317 | F205-I209 HydrophobicContact CD1-CD1 3.87Å; F205-I209 HydrophobicContact CE1-CD1 3.23Å; F205-I209 HydrophobicContact CE1-CG1 4.17Å; F205-I209 HydrophobicContact CZ-CD1 3.57Å; F205-I209 HydrophobicContact CZ-CG1 4.23Å; F205-I209 PolarHBondContact O-N 3.13Å; V206-I209 PolarHBondContact O-N 3.34Å; V206-I209 VanDerWaalsContact O-N 3.14Å; I209-P213 WeakPolarHBondContact O-CD 3.47Å; I209-P213 WeakPolarHBondContact O-CG 3.26Å; I209-L308 HydrophobicContact CG2-CD2 3.99Å; I209-P313 HydrophobicContact CG2-CB 3.56Å; I209-P313 HydrophobicContact CG2-CG 4.3Å; I209-A317 HydrophobicContact CD1-CB 3.91Å |
| 210 | E | 92.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.8 | -33 | -177.7 | -66.2 | -64.6 | 160.7 | 0 | 0 | 113 | V206 F208 N214 P313 Y478 | V206-E210 HydrophobicContact CG1-CG 4Å; V206-E210 WeakPolarHBondContact O-CB 3.36Å; V206-E210 WeakPolarHBondContact O-CG 3.47Å; V206-E210 PolarHBondContact O-N 3.04Å; F208-E210 VanDerWaalsContact C-N 3.3Å; F208-E210 PolarHBondContact O-N 2.83Å; E210-N214 PolarHBondContact O-ND2 3.14Å; E210-N214 VanDerWaalsContact O-ND2 3.08Å; E210-P313 WeakPolarHBondContact OE1-CB 3.42Å; E210-P313 WeakPolarHBondContact OE1-CG 3.15Å; E210-Y478 HydrophobicContact CB-CE1 4.3Å; E210-Y478 HydrophobicContact CG-CD1 3.85Å; E210-Y478 HydrophobicContact CG-CE1 3.67Å |
| 211 | C | 93.4 | Very high | 89.5 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 14% | 0.142 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.5 | -30.8 | 179.3 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | C207 F208 N214 V441 | C207-C211 VanDerWaalsContact O-CB 3.22Å; C207-C211 WeakPolarHBondContact O-CB 3.02Å; C207-C211 PolarHBondContact O-N 3.34Å; C207-C211 PolarHBondContact O-SG 3.22Å; F208-C211 PolarHBondContact O-N 2.78Å; C211-N214 PolarHBondContact O-N 2.93Å; C211-V441 HydrophobicContact CB-CG2 3.54Å |
| 212 | V | 94.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -47.1 | -176.1 | 168.6 | 0 | 0 | 0 | 0 | 113.5 | F208 N214 I215 Y216 I305 L308 V441 | F208-V212 HydrophobicContact CD2-CG2 4.23Å; F208-V212 HydrophobicContact CE2-CG2 3.97Å; F208-V212 HydrophobicContact CZ-CG2 4.22Å; F208-V212 VanDerWaalsContact O-CG2 3.25Å; F208-V212 WeakPolarHBondContact O-CG2 3Å; F208-V212 PolarHBondContact O-N 2.79Å; V212-N214 PolarHBondContact O-N 3.14Å; V212-I215 VanDerWaalsContact O-CB 3.32Å; V212-I215 WeakPolarHBondContact O-CB 3.15Å; V212-I215 PolarHBondContact O-N 3.33Å; V212-Y216 HydrophobicContact CG1-CE2 4.33Å; V212-I305 HydrophobicContact CG1-CB 4.36Å; V212-I305 HydrophobicContact CG1-CG1 4.44Å; V212-I305 HydrophobicContact CG1-CG2 3.92Å; V212-L308 HydrophobicContact CB-CB 4.25Å; V212-L308 HydrophobicContact CB-CD1 3.84Å; V212-L308 HydrophobicContact CG1-CB 3.54Å; V212-L308 HydrophobicContact CG1-CD1 3.77Å; V212-L308 HydrophobicContact CG1-CG 4.31Å; V212-L308 HydrophobicContact CG2-CD1 4.18Å; V212-V441 HydrophobicContact CB-CG2 4.48Å; V212-V441 HydrophobicContact CG2-CG1 4.11Å; V212-V441 HydrophobicContact CG2-CG2 3.66Å |
| 213 | P | 92.6 | Very high | 86.3 | Confident | 34 Ų | 34 | 56 Ų | 56 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -54.9 | -33.5 | 176.1 | -27.3 | 33.2 | 0 | 0 | 0 | 113.3 | I209 I215 Y216 | I209-P213 WeakPolarHBondContact O-CD 3.47Å; I209-P213 WeakPolarHBondContact O-CG 3.26Å; P213-I215 PolarHBondContact O-N 3.2Å; P213-Y216 WeakPolarHBondContact O-CD2 3.31Å; P213-Y216 PolarHBondContact O-N 2.96Å |
| 214 | N | 92.2 | Very high | 84.9 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -77 | -6.2 | -179.3 | -61.6 | -38.2 | 0 | 0 | 0 | 114 | E210 C211 V212 Y216 Y437 | E210-N214 PolarHBondContact O-ND2 3.14Å; E210-N214 VanDerWaalsContact O-ND2 3.08Å; C211-N214 PolarHBondContact O-N 2.93Å; V212-N214 PolarHBondContact O-N 3.14Å; N214-Y216 VanDerWaalsContact C-N 3.26Å; N214-Y437 HydrophobicContact CB-CD1 3.65Å; N214-Y437 HydrophobicContact CB-CD2 3.6Å; N214-Y437 HydrophobicContact CB-CE1 3.61Å; N214-Y437 HydrophobicContact CB-CE2 3.61Å; N214-Y437 HydrophobicContact CB-CG 3.67Å; N214-Y437 VanDerWaalsContact O-CD2 3.24Å; N214-Y437 WeakPolarHBondContact O-CD2 3.06Å |
| 215 | I | 91.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -71 | -27.1 | 169.2 | -67.7 | 174.8 | 0 | 0 | 0 | 110.9 | V212 P213 P232 A236 F438 V441 | V212-I215 VanDerWaalsContact O-CB 3.32Å; V212-I215 WeakPolarHBondContact O-CB 3.15Å; V212-I215 PolarHBondContact O-N 3.33Å; P213-I215 PolarHBondContact O-N 3.2Å; I215-P232 HydrophobicContact CG2-CG 3.74Å; I215-A236 HydrophobicContact CD1-CB 4.16Å; I215-F438 HydrophobicContact CG1-CD2 4.42Å; I215-F438 HydrophobicContact CG1-CE2 4.39Å; I215-F438 HydrophobicContact CG2-CD2 4.4Å; I215-F438 HydrophobicContact CG2-CE1 4.34Å; I215-F438 HydrophobicContact CG2-CE2 3.57Å; I215-F438 HydrophobicContact CG2-CZ 3.54Å; I215-V441 HydrophobicContact CD1-CB 4.23Å; I215-V441 HydrophobicContact CD1-CG1 4.49Å; I215-V441 HydrophobicContact CD1-CG2 3.66Å; I215-V441 HydrophobicContact CG1-CG2 4.47Å |
| 216 | Y | 90.6 | Very high | 82.3 | Confident | 14 Ų | 14 | 67 Ų | 67 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | trans | -82.9 | 123.5 | -179.8 | -59.7 | -82.2 | 0 | 0 | 0 | 110.3 | V212 P213 N214 N231 I305 R309 | V212-Y216 HydrophobicContact CG1-CE2 4.33Å; P213-Y216 WeakPolarHBondContact O-CD2 3.31Å; P213-Y216 PolarHBondContact O-N 2.96Å; N214-Y216 VanDerWaalsContact C-N 3.26Å; Y216-N231 HydrophobicContact CD1-CB 4.45Å; Y216-N231 WeakPolarHBondContact CE1-OD1 3.25Å; Y216-I305 WeakPolarHBondContact OH-CG2 3.18Å; Y216-I305 PolarHBondContact OH-O 2.94Å; Y216-I305 VanDerWaalsContact OH-O 3.05Å; Y216-R309 HydrophobicContact CD1-CB 4.32Å; Y216-R309 HydrophobicContact CD1-CG 3.68Å; Y216-R309 HydrophobicContact CD2-CB 4.07Å; Y216-R309 HydrophobicContact CD2-CG 3.99Å; Y216-R309 HydrophobicContact CE1-CB 3.96Å; Y216-R309 HydrophobicContact CE1-CG 3.75Å; Y216-R309 HydrophobicContact CE2-CB 3.68Å; Y216-R309 HydrophobicContact CE2-CG 4.04Å; Y216-R309 HydrophobicContact CG-CB 4.37Å; Y216-R309 HydrophobicContact CG-CG 3.81Å | ||
| 217 | V | 88.4 | Confident | 81.3 | Confident | 40 Ų | 40 | 71 Ų | 71 | 24% | 0.242 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.1 | -180 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | L229 V230 P434 | V217-L229 HydrophobicContact CG1-CD2 4.42Å; V217-L229 PolarHBondContact O-N 3.25Å; V217-V230 HydrophobicContact CB-CB 3.99Å; V217-V230 HydrophobicContact CB-CG2 4.28Å; V217-V230 HydrophobicContact CG2-CB 4.32Å; V217-V230 PolarHBondContact N-O 3.32Å; V217-V230 VanDerWaalsContact N-O 3.12Å; V217-V230 PolarHBondContact O-N 2.97Å; V217-V230 VanDerWaalsContact O-N 3.11Å; V217-P434 HydrophobicContact CG2-CG 3.95Å |
| 218 | Y | 82.7 | Confident | 80.3 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.2 | 177.9 | -50.2 | -83.3 | 0 | 0 | 0 | 109.5 | E228 R309 | Y218-E228 HydrophobicContact CD1-CG 4.05Å; Y218-E228 HydrophobicContact CE1-CG 3.99Å; Y218-R309 VanDerWaalsContact OH-CG 3.28Å; Y218-R309 WeakPolarHBondContact OH-CG 3.45Å; Y218-R309 PolarHBondContact OH-NE 3.44Å |
| 219 | T | 78.3 | Confident | 79.4 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 26% | 0.264 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152.1 | 172.3 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | Q227 L229 | T219-Q227 PolarHBondContact N-O 2.94Å; T219-Q227 VanDerWaalsContact N-O 3.15Å; T219-Q227 PolarHBondContact O-N 3.44Å; T219-Q227 VanDerWaalsContact O-N 3.16Å; T219-L229 HydrophobicContact CG2-CB 4.35Å; T219-L229 HydrophobicContact CG2-CD2 3.64Å |
| 220 | Y | 72 | Confident | 78.7 | Confident | 190 Ų | 190 | 72.5 Ų | 72.5 | 75% | 0.745 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.4 | 170.3 | -58.1 | -88.6 | 0 | 0 | 0 | 108.7 | F226 | Y220-F226 HydrophobicContact CD1-CD1 4.43Å; Y220-F226 HydrophobicContact CD1-CE1 4.1Å; Y220-F226 HydrophobicContact CE1-CD1 4.13Å; Y220-F226 AromaticContact CE1-CE1 3.41Å; Y220-F226 HydrophobicContact CE1-CE1 3.41Å; Y220-F226 VanDerWaalsContact CE1-CE1 3.41Å; Y220-F226 AromaticContact CE1-CZ 3.93Å; Y220-F226 HydrophobicContact CE1-CZ 3.93Å; Y220-F226 AromaticContact CZ-CE1 3.96Å |
| 221 | W | 57 | Low | 78.3 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | trans | -99.9 | 157.2 | 162.7 | -66.4 | 87.2 | 0 | 0 | 0 | 109.9 | N223 S224 Q227 | W221-N223 PolarHBondContact O-N 3.27Å; W221-S224 PolarHBondContact O-N 3.43Å; W221-Q227 VanDerWaalsContact CE2-OE1 3.23Å | ||
| 222 | D | 58.5 | Low | 77.8 | Confident | 163 Ų | 163 | 71.4 Ų | 71.4 | 87% | 0.872 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.5 | 112.7 | 178.6 | -83 | -26.9 | 0 | 0 | 0 | 110.9 | ||
| 223 | N | 61.4 | Low | 77.5 | Confident | 158 Ų | 158 | 71.6 Ų | 71.6 | 85% | 0.845 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 61.3 | 172.9 | -63 | -19.2 | 0 | 0 | 0 | 118.2 | W221 | W221-N223 PolarHBondContact O-N 3.27Š|
| 224 | S | 64 | Low | 77.2 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 78% | 0.776 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 112.6 | 12 | 139.1 | 89.3 | 0 | 0 | 0 | 0 | 119.6 | W221 | W221-S224 PolarHBondContact O-N 3.43Š|
| 225 | T | 68.9 | Low | 77.1 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 60% | 0.595 | 33% | 0.334 | S | S | * | . | trans | -106.7 | 126.6 | 168.6 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 226 | F | 68.7 | Low | 77 | Confident | 150 Ų | 150 | 67.4 Ų | 67.4 | 66% | 0.658 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 124.9 | 169.5 | -69.7 | -85.7 | 0 | 0 | 0 | 108.6 | Y220 | Y220-F226 HydrophobicContact CD1-CD1 4.43Å; Y220-F226 HydrophobicContact CD1-CE1 4.1Å; Y220-F226 HydrophobicContact CE1-CD1 4.13Å; Y220-F226 AromaticContact CE1-CE1 3.41Å; Y220-F226 HydrophobicContact CE1-CE1 3.41Å; Y220-F226 VanDerWaalsContact CE1-CE1 3.41Å; Y220-F226 AromaticContact CE1-CZ 3.93Å; Y220-F226 HydrophobicContact CE1-CZ 3.93Å; Y220-F226 AromaticContact CZ-CE1 3.96Å |
| 227 | Q | 73.2 | Confident | 77.1 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.8 | 167.5 | -169.6 | 170.3 | -24.4 | 0 | 0 | 110.1 | T219 W221 L229 | T219-Q227 PolarHBondContact N-O 2.94Å; T219-Q227 VanDerWaalsContact N-O 3.15Å; T219-Q227 PolarHBondContact O-N 3.44Å; T219-Q227 VanDerWaalsContact O-N 3.16Å; W221-Q227 VanDerWaalsContact CE2-OE1 3.23Å; Q227-L229 PolarHBondContact O-N 3.43Å |
| 228 | E | 73.2 | Confident | 77.1 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 109.5 | 172.4 | -58 | -174 | -171.1 | 0 | 0 | 108.8 | Y218 N231 R309 V427 | Y218-E228 HydrophobicContact CD1-CG 4.05Å; Y218-E228 HydrophobicContact CE1-CG 3.99Å; E228-N231 WeakPolarHBondContact OE2-CB 3.49Å; E228-N231 PolarHBondContact OE2-ND2 2.94Å; E228-R309 VanDerWaalsContact CD-NH1 3.28Å; E228-R309 IonicContact OE1-CZ 2.88Å; E228-R309 VanDerWaalsContact OE1-CZ 3.29Å; E228-R309 IonicContact OE1-NH1 3.96Å; E228-R309 PolarHBondContact OE1-NH1 2.98Å; E228-R309 VanDerWaalsContact OE1-NH1 3.07Å; E228-R309 IonicContact OE1-NH2 3.51Å; E228-R309 PolarHBondContact OE1-NH2 2.97Å; E228-R309 IonicContact OE2-CZ 2.79Å; E228-R309 IonicContact OE2-NH1 3.34Å; E228-R309 PolarHBondContact OE2-NH1 2.93Å; E228-R309 IonicContact OE2-NH2 3.8Å; E228-V427 WeakPolarHBondContact O-CG1 3.27Å |
| 229 | L | 77.2 | Confident | 77.6 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -37.2 | 179 | -172.2 | 64.2 | 0 | 0 | 0 | 111.3 | V217 T219 Q227 T429 Y432 | V217-L229 HydrophobicContact CG1-CD2 4.42Å; V217-L229 PolarHBondContact O-N 3.25Å; T219-L229 HydrophobicContact CG2-CB 4.35Å; T219-L229 HydrophobicContact CG2-CD2 3.64Å; Q227-L229 PolarHBondContact O-N 3.43Å; L229-T429 HydrophobicContact CD1-CG2 4.28Å; L229-T429 WeakPolarHBondContact CD1-OG1 3.44Å; L229-T429 PolarHBondContact O-N 3.24Å; L229-T429 PolarHBondContact O-OG1 3.02Å; L229-Y432 HydrophobicContact CD1-CD2 4.02Å; L229-Y432 HydrophobicContact CD1-CE2 4.34Å; L229-Y432 HydrophobicContact CD2-CD1 4.04Å; L229-Y432 HydrophobicContact CD2-CD2 3.5Å; L229-Y432 VanDerWaalsContact CD2-CD2 3.5Å; L229-Y432 HydrophobicContact CD2-CE2 4.07Å; L229-Y432 HydrophobicContact CD2-CG 3.46Å; L229-Y432 VanDerWaalsContact CD2-CG 3.46Å; L229-Y432 HydrophobicContact CG-CD2 3.98Å; L229-Y432 HydrophobicContact CG-CG 4.26Å |
| 230 | V | 80.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 109.7 | -178 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | V217 P232 V427 L433 | V217-V230 HydrophobicContact CB-CB 3.99Å; V217-V230 HydrophobicContact CB-CG2 4.28Å; V217-V230 HydrophobicContact CG2-CB 4.32Å; V217-V230 PolarHBondContact N-O 3.32Å; V217-V230 VanDerWaalsContact N-O 3.12Å; V217-V230 PolarHBondContact O-N 2.97Å; V217-V230 VanDerWaalsContact O-N 3.11Å; V230-P232 HydrophobicContact CG1-CG 3.65Å; V230-V427 WeakPolarHBondContact CA-O 3.43Å; V230-L433 HydrophobicContact CG1-CD1 3.55Å |
| 231 | N | 84.3 | Confident | 79.3 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | trans | -133.8 | 80.8 | 173.8 | 173.1 | 24.5 | 0 | 0 | 0 | 110.3 | Y216 E228 P233 R309 E426 V427 | Y216-N231 HydrophobicContact CD1-CB 4.45Å; Y216-N231 WeakPolarHBondContact CE1-OD1 3.25Å; E228-N231 WeakPolarHBondContact OE2-CB 3.49Å; E228-N231 PolarHBondContact OE2-ND2 2.94Å; N231-P233 WeakPolarHBondContact O-CD 3.49Å; N231-R309 VanDerWaalsContact CG-NH1 3.35Å; N231-R309 PolarHBondContact ND2-NH1 3.47Å; N231-E426 WeakPolarHBondContact O-CA 3.43Å; N231-E426 WeakPolarHBondContact O-CB 3.34Å; N231-E426 WeakPolarHBondContact O-CG 3.49Å; N231-V427 PolarHBondContact N-O 2.94Å | ||
| 232 | P | 84 | Confident | 81 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -119 | 59.5 | -164 | 44.4 | -32.9 | 0 | 0 | 0 | 113 | I215 V230 S234 L235 A236 I428 L433 F438 | I215-P232 HydrophobicContact CG2-CG 3.74Å; V230-P232 HydrophobicContact CG1-CG 3.65Å; P232-S234 VanDerWaalsContact C-N 3.27Å; P232-S234 PolarHBondContact O-N 2.96Å; P232-L235 HydrophobicContact CB-CB 3.88Å; P232-L235 HydrophobicContact CB-CD2 4.35Å; P232-L235 PolarHBondContact O-N 3.23Å; P232-A236 PolarHBondContact O-N 3.07Å; P232-I428 HydrophobicContact CB-CD1 4.13Å; P232-I428 HydrophobicContact CB-CG1 4.07Å; P232-L433 HydrophobicContact CG-CD1 4.27Å; P232-F438 HydrophobicContact CG-CZ 3.93Å | ||
| 233 | P | 87.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -33.1 | -179.8 | 22.6 | -28.7 | 0 | 0 | 0 | 112.7 | N231 S237 I305 R306 E426 | N231-P233 WeakPolarHBondContact O-CD 3.49Å; P233-S237 PolarHBondContact O-N 3.33Å; P233-S237 PolarHBondContact O-OG 3.07Å; P233-I305 HydrophobicContact CB-CG2 4.04Å; P233-R306 HydrophobicContact CB-CB 4.15Å; P233-E426 VanDerWaalsContact CD-OE1 3.31Å; P233-E426 WeakPolarHBondContact CD-OE1 3.4Å; P233-E426 HydrophobicContact CG-CG 4.49Å; P233-E426 VanDerWaalsContact CG-OE1 3.28Å; P233-E426 WeakPolarHBondContact CG-OE1 3.3Å |
| 234 | S | 87.3 | Confident | 84.3 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.6 | -33.9 | 176.5 | -52.6 | 0 | 0 | 0 | 0 | 113 | P232 A236 S237 Y238 H302 E426 | P232-S234 VanDerWaalsContact C-N 3.27Å; P232-S234 PolarHBondContact O-N 2.96Å; S234-A236 VanDerWaalsContact C-N 3.33Å; S234-S237 WeakPolarHBondContact CA-OG 3.43Å; S234-S237 PolarHBondContact O-OG 2.92Å; S234-Y238 VanDerWaalsContact O-CB 3.24Å; S234-Y238 WeakPolarHBondContact O-CB 3.05Å; S234-Y238 PolarHBondContact O-N 3.17Å; S234-H302 PolarHBondContact OG-CE1 3.02Å; S234-H302 VanDerWaalsContact OG-CE1 3.25Å; S234-H302 PolarHBondContact OG-ND1 3.3Å; S234-E426 WeakPolarHBondContact CB-OE1 3.34Å; S234-E426 VanDerWaalsContact CB-OE2 3.28Å; S234-E426 WeakPolarHBondContact CB-OE2 3.42Å; S234-E426 PolarHBondContact N-OE1 3.37Å; S234-E426 PolarHBondContact N-OE2 3.06Å; S234-E426 PolarHBondContact OG-OE1 3.17Å |
| 235 | L | 88.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 171.6 | -174 | 59.1 | 0 | 0 | 0 | 111.1 | P232 Y238 T239 F416 I428 L433 F438 | P232-L235 HydrophobicContact CB-CB 3.88Å; P232-L235 HydrophobicContact CB-CD2 4.35Å; P232-L235 PolarHBondContact O-N 3.23Å; L235-Y238 PolarHBondContact O-N 3.39Å; L235-T239 WeakPolarHBondContact O-CB 3.48Å; L235-T239 PolarHBondContact O-N 3.08Å; L235-T239 PolarHBondContact O-OG1 3.17Å; L235-F416 HydrophobicContact CB-CD2 4.38Å; L235-F416 HydrophobicContact CB-CE2 3.74Å; L235-F416 HydrophobicContact CB-CZ 4.36Å; L235-F416 HydrophobicContact CD1-CE1 4.36Å; L235-F416 HydrophobicContact CD1-CE2 3.96Å; L235-F416 HydrophobicContact CD1-CZ 3.77Å; L235-F416 HydrophobicContact CG-CE2 4.37Å; L235-I428 HydrophobicContact CD2-CD1 4.47Å; L235-L433 HydrophobicContact CD2-CD1 4.23Å; L235-L433 HydrophobicContact CD2-CD2 3.71Å; L235-F438 HydrophobicContact CB-CE1 4.39Å; L235-F438 HydrophobicContact CD2-CE1 4.19Å; L235-F438 HydrophobicContact CD2-CZ 4.02Å; L235-F438 HydrophobicContact CG-CE1 3.95Å; L235-F438 HydrophobicContact CG-CZ 4.25Å |
| 236 | A | 90.9 | Very high | 87 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I215 P232 S234 Y238 T239 I240 I305 F438 | I215-A236 HydrophobicContact CD1-CB 4.16Å; P232-A236 PolarHBondContact O-N 3.07Å; S234-A236 VanDerWaalsContact C-N 3.33Å; A236-Y238 VanDerWaalsContact C-N 3.34Å; A236-Y238 PolarHBondContact O-N 3.45Å; A236-T239 PolarHBondContact O-N 3.13Å; A236-I240 WeakPolarHBondContact O-CG1 3.49Å; A236-I240 PolarHBondContact O-N 3.4Å; A236-I305 HydrophobicContact CB-CD1 3.88Å; A236-I305 HydrophobicContact CB-CG2 4.06Å; A236-F438 HydrophobicContact CB-CE1 3.97Å |
| 237 | S | 91.5 | Very high | 88.2 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 173.6 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | P233 S234 S241 | P233-S237 PolarHBondContact O-N 3.33Å; P233-S237 PolarHBondContact O-OG 3.07Å; S234-S237 WeakPolarHBondContact CA-OG 3.43Å; S234-S237 PolarHBondContact O-OG 2.92Å; S237-S241 PolarHBondContact O-N 3.48Å; S237-S241 VanDerWaalsContact O-N 3.1Å; S237-S241 PolarHBondContact O-OG 3.21Å |
| 238 | Y | 89.9 | Confident | 89.1 | Confident | 61 Ų | 61 | 23.7 Ų | 23.7 | 24% | 0.239 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 174.1 | -178 | -93.6 | 0 | 0 | 0 | 111.2 | S234 L235 A236 I240 S241 F242 I409 W413 | S234-Y238 VanDerWaalsContact O-CB 3.24Å; S234-Y238 WeakPolarHBondContact O-CB 3.05Å; S234-Y238 PolarHBondContact O-N 3.17Å; L235-Y238 PolarHBondContact O-N 3.39Å; A236-Y238 VanDerWaalsContact C-N 3.34Å; A236-Y238 PolarHBondContact O-N 3.45Å; Y238-I240 PolarHBondContact O-N 2.82Å; Y238-S241 WeakPolarHBondContact O-CB 3.38Å; Y238-S241 PolarHBondContact O-N 3.28Å; Y238-S241 VanDerWaalsContact O-N 3.15Å; Y238-F242 PolarHBondContact O-N 2.94Å; Y238-I409 HydrophobicContact CE2-CB 4.36Å; Y238-I409 HydrophobicContact CE2-CG1 4.23Å; Y238-I409 HydrophobicContact CE2-CG2 4.15Å; Y238-I409 WeakPolarHBondContact OH-CG2 3.29Å; Y238-W413 HydrophobicContact CE2-CB 4.24Å |
| 239 | T | 91.4 | Very high | 90.1 | Very high | 26 Ų | 26 | 23 Ų | 23 | 16% | 0.16 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 178.2 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | L235 A236 S241 F242 W243 F438 | L235-T239 WeakPolarHBondContact O-CB 3.48Å; L235-T239 PolarHBondContact O-N 3.08Å; L235-T239 PolarHBondContact O-OG1 3.17Å; A236-T239 PolarHBondContact O-N 3.13Å; T239-S241 VanDerWaalsContact C-N 3.27Å; T239-S241 PolarHBondContact O-N 2.91Å; T239-F242 WeakPolarHBondContact O-CA 3.44Å; T239-F242 WeakPolarHBondContact O-CB 3.29Å; T239-F242 PolarHBondContact O-N 3.22Å; T239-F242 VanDerWaalsContact O-N 3.07Å; T239-W243 PolarHBondContact O-N 3.43Å; T239-F438 HydrophobicContact CG2-CB 4.5Å; T239-F438 HydrophobicContact CG2-CD1 4.07Å |
| 240 | I | 93.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 175.9 | -69.9 | 171.9 | 0 | 0 | 0 | 111.5 | F208 A236 Y238 F242 W243 L244 I301 I305 V441 Y445 | F208-I240 HydrophobicContact CE2-CD1 3.63Å; F208-I240 HydrophobicContact CZ-CD1 4.04Å; A236-I240 WeakPolarHBondContact O-CG1 3.49Å; A236-I240 PolarHBondContact O-N 3.4Å; Y238-I240 PolarHBondContact O-N 2.82Å; I240-F242 VanDerWaalsContact C-N 3.27Å; I240-F242 PolarHBondContact O-N 2.71Å; I240-W243 PolarHBondContact O-N 2.88Å; I240-L244 PolarHBondContact O-N 3.01Å; I240-I301 HydrophobicContact CD1-CD1 3.87Å; I240-I301 HydrophobicContact CD1-CG1 3.78Å; I240-I301 HydrophobicContact CG2-CD1 4.4Å; I240-I301 HydrophobicContact CG2-CG1 4.3Å; I240-I305 HydrophobicContact CD1-CD1 3.63Å; I240-I305 HydrophobicContact CD1-CG1 4.44Å; I240-V441 HydrophobicContact CD1-CG1 3.71Å; I240-V441 HydrophobicContact CG1-CG1 3.77Å; I240-Y445 HydrophobicContact CG2-CD1 3.35Å; I240-Y445 HydrophobicContact CG2-CD2 4.27Å; I240-Y445 HydrophobicContact CG2-CE1 3.68Å; I240-Y445 HydrophobicContact CG2-CG 3.67Å |
| 241 | S | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112 | S237 Y238 T239 L244 Q298 G405 | S237-S241 PolarHBondContact O-N 3.48Å; S237-S241 VanDerWaalsContact O-N 3.1Å; S237-S241 PolarHBondContact O-OG 3.21Å; Y238-S241 WeakPolarHBondContact O-CB 3.38Å; Y238-S241 PolarHBondContact O-N 3.28Å; Y238-S241 VanDerWaalsContact O-N 3.15Å; T239-S241 VanDerWaalsContact C-N 3.27Å; T239-S241 PolarHBondContact O-N 2.91Å; S241-L244 WeakPolarHBondContact O-CB 3.3Å; S241-L244 PolarHBondContact O-N 2.65Å; S241-Q298 PolarHBondContact OG-NE2 3.04Å; S241-Q298 PolarHBondContact OG-OE1 3.45Å; S241-G405 WeakPolarHBondContact O-CA 3.41Å |
| 242 | F | 93.3 | Very high | 91.7 | Very high | 106 Ų | 106 | 28.1 Ų | 28.1 | 47% | 0.465 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 172.4 | 176.7 | -93.9 | 0 | 0 | 0 | 112.2 | Y238 T239 I240 L244 I245 I409 | Y238-F242 PolarHBondContact O-N 2.94Å; T239-F242 WeakPolarHBondContact O-CA 3.44Å; T239-F242 WeakPolarHBondContact O-CB 3.29Å; T239-F242 PolarHBondContact O-N 3.22Å; T239-F242 VanDerWaalsContact O-N 3.07Å; I240-F242 VanDerWaalsContact C-N 3.27Å; I240-F242 PolarHBondContact O-N 2.71Å; F242-L244 PolarHBondContact O-N 2.86Å; F242-I245 VanDerWaalsContact O-CB 3.3Å; F242-I245 WeakPolarHBondContact O-CB 3.39Å; F242-I245 PolarHBondContact O-N 3.42Å; F242-I409 HydrophobicContact CB-CD1 4.02Å; F242-I409 HydrophobicContact CD2-CD1 3.68Å; F242-I409 HydrophobicContact CG-CD1 4.34Å |
| 243 | W | 95 | Very high | 92 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 20% | 0.201 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -34.4 | 178.2 | -80.2 | 96.6 | 0 | 0 | 0 | 112.9 | T239 I240 I245 L246 I439 I443 L446 | T239-W243 PolarHBondContact O-N 3.43Å; I240-W243 PolarHBondContact O-N 2.88Å; W243-I245 PolarHBondContact O-N 3.42Å; W243-I245 VanDerWaalsContact O-N 3.15Å; W243-L246 HydrophobicContact CD2-CD1 4.46Å; W243-L246 HydrophobicContact CE3-CD1 3.6Å; W243-L246 HydrophobicContact CZ3-CD1 3.81Å; W243-L246 WeakPolarHBondContact O-CB 3.23Å; W243-L246 PolarHBondContact O-N 2.97Å; W243-I439 HydrophobicContact CH2-CG2 4.34Å; W243-I439 HydrophobicContact CZ2-CB 4.48Å; W243-I439 HydrophobicContact CZ2-CG2 4.13Å; W243-I443 HydrophobicContact CH2-CD1 4.3Å; W243-I443 HydrophobicContact CH2-CG1 3.72Å; W243-I443 HydrophobicContact CZ2-CG1 4.35Å; W243-I443 HydrophobicContact CZ3-CG1 3.85Å; W243-L446 HydrophobicContact CB-CD1 4.31Å; W243-L446 HydrophobicContact CB-CD2 4.43Å; W243-L446 HydrophobicContact CB-CG 4.04Å; W243-L446 HydrophobicContact CD2-CD1 4.45Å; W243-L446 HydrophobicContact CE3-CD1 3.52Å; W243-L446 HydrophobicContact CE3-CG 4.31Å; W243-L446 HydrophobicContact CZ3-CD1 4.23Å; W243-L446 VanDerWaalsContact O-CD2 3.3Å; W243-L446 WeakPolarHBondContact O-CD2 3.42Å |
| 244 | L | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -28.3 | 176.5 | -64.7 | 173.6 | 0 | 0 | 0 | 114.1 | I240 S241 F242 L246 I247 W297 L404 Y445 T449 | I240-L244 PolarHBondContact O-N 3.01Å; S241-L244 WeakPolarHBondContact O-CB 3.3Å; S241-L244 PolarHBondContact O-N 2.65Å; F242-L244 PolarHBondContact O-N 2.86Å; L244-L246 PolarHBondContact O-N 2.96Å; L244-I247 HydrophobicContact CD2-CD1 3.89Å; L244-I247 WeakPolarHBondContact O-CB 3.38Å; L244-I247 WeakPolarHBondContact O-CG1 3.13Å; L244-I247 PolarHBondContact O-N 3.48Å; L244-W297 HydrophobicContact CD1-CH2 4Å; L244-W297 HydrophobicContact CD1-CZ2 3.28Å; L244-W297 HydrophobicContact CD2-CH2 4.36Å; L244-W297 HydrophobicContact CD2-CZ2 4.21Å; L244-W297 HydrophobicContact CG-CZ2 4.2Å; L244-L404 HydrophobicContact CD1-CD2 3.5Å; L244-Y445 HydrophobicContact CD2-CD1 4.32Å; L244-Y445 HydrophobicContact CD2-CE1 4.15Å; L244-T449 HydrophobicContact CD2-CG2 4.39Å |
| 245 | I | 94.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 16% | 0.164 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.5 | 177.5 | -61.2 | -178.6 | 0 | 0 | 0 | 110.4 | F242 W243 I247 P249 F402 V406 I409 | F242-I245 VanDerWaalsContact O-CB 3.3Å; F242-I245 WeakPolarHBondContact O-CB 3.39Å; F242-I245 PolarHBondContact O-N 3.42Å; W243-I245 PolarHBondContact O-N 3.42Å; W243-I245 VanDerWaalsContact O-N 3.15Å; I245-I247 VanDerWaalsContact C-N 3.28Å; I245-I247 PolarHBondContact O-N 3.06Å; I245-P249 WeakPolarHBondContact O-CD 3.43Å; I245-F402 HydrophobicContact CB-CD2 4.5Å; I245-F402 HydrophobicContact CG2-CD2 3.75Å; I245-F402 HydrophobicContact CG2-CE2 3.57Å; I245-F402 VanDerWaalsContact O-CD2 3.29Å; I245-F402 WeakPolarHBondContact O-CD2 3.45Å; I245-V406 HydrophobicContact CD1-CG2 3.94Å; I245-V406 HydrophobicContact CG1-CG2 4.17Å; I245-V406 HydrophobicContact CG2-CG2 4.43Å; I245-I409 HydrophobicContact CD1-CD1 3.31Å; I245-I409 HydrophobicContact CD1-CG1 4.22Å |
| 246 | L | 94.6 | Very high | 92.2 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 33% | 0.33 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -18.9 | -179.5 | -60.7 | 179.9 | 0 | 0 | 0 | 113.6 | W243 L244 Y248 P249 I250 L446 | W243-L246 HydrophobicContact CD2-CD1 4.46Å; W243-L246 HydrophobicContact CE3-CD1 3.6Å; W243-L246 HydrophobicContact CZ3-CD1 3.81Å; W243-L246 WeakPolarHBondContact O-CB 3.23Å; W243-L246 PolarHBondContact O-N 2.97Å; L244-L246 PolarHBondContact O-N 2.96Å; L246-Y248 PolarHBondContact O-N 3.42Å; L246-P249 WeakPolarHBondContact O-CD 3.4Å; L246-I250 HydrophobicContact CB-CD1 3.88Å; L246-I250 VanDerWaalsContact O-CB 3.29Å; L246-I250 WeakPolarHBondContact O-CB 3.22Å; L246-I250 WeakPolarHBondContact O-CD1 3.4Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 2.89Å; L246-L446 HydrophobicContact CB-CD1 4.41Å |
| 247 | I | 94.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | -174 | -64.4 | 177.9 | 0 | 0 | 0 | 112 | L244 I245 Y251 A398 Y401 L446 T449 | L244-I247 HydrophobicContact CD2-CD1 3.89Å; L244-I247 WeakPolarHBondContact O-CB 3.38Å; L244-I247 WeakPolarHBondContact O-CG1 3.13Å; L244-I247 PolarHBondContact O-N 3.48Å; I245-I247 VanDerWaalsContact C-N 3.28Å; I245-I247 PolarHBondContact O-N 3.06Å; I247-Y251 WeakPolarHBondContact O-CB 3.42Å; I247-Y251 PolarHBondContact O-N 3.29Å; I247-A398 HydrophobicContact CG2-CB 3.86Å; I247-Y401 HydrophobicContact CD1-CD2 4.3Å; I247-Y401 HydrophobicContact CD1-CG 4.11Å; I247-L446 HydrophobicContact CD1-CD2 3.66Å; I247-L446 HydrophobicContact CG1-CD2 3.38Å; I247-T449 HydrophobicContact CD1-CG2 3.75Å |
| 248 | Y | 93 | Very high | 92.1 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.7 | -45.9 | -176.4 | -172.6 | -114.4 | 0 | 0 | 0 | 113.9 | L246 I250 Y251 L252 I269 H272 A398 C399 F402 | L246-Y248 PolarHBondContact O-N 3.42Å; Y248-I250 VanDerWaalsContact C-N 3.29Å; Y248-I250 PolarHBondContact O-N 3.47Å; Y248-Y251 HydrophobicContact CD2-CD1 4.41Å; Y248-Y251 HydrophobicContact CE2-CD1 4.31Å; Y248-Y251 WeakPolarHBondContact O-CB 3.17Å; Y248-Y251 PolarHBondContact O-N 3.16Å; Y248-Y251 VanDerWaalsContact O-N 3.12Å; Y248-L252 HydrophobicContact CD1-CD1 4.06Å; Y248-L252 HydrophobicContact CD1-CG 4.41Å; Y248-L252 HydrophobicContact CE1-CD1 3.63Å; Y248-L252 HydrophobicContact CE1-CD2 4.41Å; Y248-L252 HydrophobicContact CE1-CG 4.08Å; Y248-L252 HydrophobicContact CE2-CD2 4.31Å; Y248-L252 HydrophobicContact CE2-CG 4.4Å; Y248-L252 WeakPolarHBondContact O-CG 3.45Å; Y248-L252 PolarHBondContact O-N 3.15Å; Y248-I269 HydrophobicContact CE1-CG1 4.17Å; Y248-I269 WeakPolarHBondContact OH-CA 3.29Å; Y248-I269 WeakPolarHBondContact OH-CG1 3.14Å; Y248-H272 HydrophobicContact CE2-CB 4.48Å; Y248-H272 AromaticContact CE2-ND1 3.83Å; Y248-H272 PolarHBondContact OH-ND1 3.07Å; Y248-A398 HydrophobicContact CD2-CB 3.92Å; Y248-C399 HydrophobicContact CD2-CB 3.9Å; Y248-C399 HydrophobicContact CE2-CB 3.81Å; Y248-C399 HydrophobicContact CG-CB 4.49Å; Y248-F402 VanDerWaalsContact CB-CB 3.5Å; Y248-F402 HydrophobicContact CD1-CG 4.46Å; Y248-F402 HydrophobicContact CG-CB 4.31Å |
| 249 | P | 93.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.7 | -42.7 | 170.5 | -26.3 | 35.1 | 0 | 0 | 0 | 112.7 | I245 L246 Y251 L252 I253 | I245-P249 WeakPolarHBondContact O-CD 3.43Å; L246-P249 WeakPolarHBondContact O-CD 3.4Å; P249-Y251 VanDerWaalsContact C-N 3.33Å; P249-Y251 PolarHBondContact O-N 2.99Å; P249-L252 PolarHBondContact O-N 3.42Å; P249-I253 WeakPolarHBondContact O-CG1 2.93Å; P249-I253 PolarHBondContact O-N 3.43Å |
| 250 | I | 92.7 | Very high | 91.3 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 42% | 0.415 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.6 | -68.8 | 167.6 | 0 | 0 | 0 | 110.5 | L246 Y248 L252 I253 I254 | L246-I250 HydrophobicContact CB-CD1 3.88Å; L246-I250 VanDerWaalsContact O-CB 3.29Å; L246-I250 WeakPolarHBondContact O-CB 3.22Å; L246-I250 WeakPolarHBondContact O-CD1 3.4Å; L246-I250 WeakPolarHBondContact O-CG1 3.38Å; L246-I250 PolarHBondContact O-N 2.89Å; Y248-I250 VanDerWaalsContact C-N 3.29Å; Y248-I250 PolarHBondContact O-N 3.47Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 3.42Å; I250-I253 PolarHBondContact O-N 2.85Å; I250-I254 HydrophobicContact CG2-CD1 3.79Å; I250-I254 HydrophobicContact CG2-CG1 4.42Å; I250-I254 VanDerWaalsContact O-CG1 3.28Å; I250-I254 WeakPolarHBondContact O-CG1 3.31Å; I250-I254 PolarHBondContact O-N 3.37Å |
| 251 | Y | 91.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 174.9 | 176.9 | -100 | 0 | 0 | 0 | 112.4 | I247 Y248 P249 I254 N255 E261 M268 V394 G395 A398 | I247-Y251 WeakPolarHBondContact O-CB 3.42Å; I247-Y251 PolarHBondContact O-N 3.29Å; Y248-Y251 HydrophobicContact CD2-CD1 4.41Å; Y248-Y251 HydrophobicContact CE2-CD1 4.31Å; Y248-Y251 WeakPolarHBondContact O-CB 3.17Å; Y248-Y251 PolarHBondContact O-N 3.16Å; Y248-Y251 VanDerWaalsContact O-N 3.12Å; P249-Y251 VanDerWaalsContact C-N 3.33Å; P249-Y251 PolarHBondContact O-N 2.99Å; Y251-I254 PolarHBondContact O-N 3.03Å; Y251-N255 WeakPolarHBondContact O-CB 3.33Å; Y251-N255 PolarHBondContact O-N 3Å; Y251-E261 PolarHBondContact OH-OE1 2.94Å; Y251-M268 HydrophobicContact CE1-CE 3.87Å; Y251-V394 HydrophobicContact CD2-CG1 4.03Å; Y251-V394 HydrophobicContact CE2-CB 4.14Å; Y251-V394 HydrophobicContact CE2-CG1 3.65Å; Y251-G395 VanDerWaalsContact CZ-CA 3.44Å; Y251-G395 PolarHBondContact OH-N 2.72Å; Y251-A398 HydrophobicContact CG-CB 4.23Å |
| 252 | L | 90.8 | Very high | 89.7 | Confident | 36 Ų | 36 | 73.4 Ų | 73.4 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.3 | -69.5 | -179.2 | 0 | 0 | 0 | 112.2 | Y248 P249 I250 N255 L256 M268 | Y248-L252 HydrophobicContact CD1-CD1 4.06Å; Y248-L252 HydrophobicContact CD1-CG 4.41Å; Y248-L252 HydrophobicContact CE1-CD1 3.63Å; Y248-L252 HydrophobicContact CE1-CD2 4.41Å; Y248-L252 HydrophobicContact CE1-CG 4.08Å; Y248-L252 HydrophobicContact CE2-CD2 4.31Å; Y248-L252 HydrophobicContact CE2-CG 4.4Å; Y248-L252 WeakPolarHBondContact O-CG 3.45Å; Y248-L252 PolarHBondContact O-N 3.15Å; P249-L252 PolarHBondContact O-N 3.42Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 3.42Å; L252-N255 PolarHBondContact O-N 2.93Å; L252-L256 WeakPolarHBondContact O-CB 3.03Å; L252-L256 PolarHBondContact O-N 3.38Å; L252-M268 HydrophobicContact CD2-CE 3.72Å; L252-M268 HydrophobicContact CD2-SD 4.41Å |
| 253 | I | 91.5 | Very high | 88.9 | Confident | 100 Ų | 100 | 71.9 Ų | 71.9 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 175.7 | -67.7 | 165.4 | 0 | 0 | 0 | 110.2 | P249 I250 N255 L256 L257 | P249-I253 WeakPolarHBondContact O-CG1 2.93Å; P249-I253 PolarHBondContact O-N 3.43Å; I250-I253 PolarHBondContact O-N 2.85Å; I253-N255 VanDerWaalsContact C-N 3.3Å; I253-N255 PolarHBondContact O-N 3.49Å; I253-L256 WeakPolarHBondContact O-CB 3.46Å; I253-L256 PolarHBondContact O-N 3.33Å; I253-L257 HydrophobicContact CG2-CD1 3.92Å; I253-L257 HydrophobicContact CG2-CG 4.41Å; I253-L257 VanDerWaalsContact O-CG 3.28Å; I253-L257 WeakPolarHBondContact O-CG 3.5Å; I253-L257 PolarHBondContact O-N 2.92Å |
| 254 | I | 91.1 | Very high | 88.2 | Confident | 69 Ų | 69 | 73.4 Ų | 73.4 | 35% | 0.354 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.7 | -68.2 | 169.4 | 0 | 0 | 0 | 110.3 | I250 Y251 L256 L257 F258 L260 | I250-I254 HydrophobicContact CG2-CD1 3.79Å; I250-I254 HydrophobicContact CG2-CG1 4.42Å; I250-I254 VanDerWaalsContact O-CG1 3.28Å; I250-I254 WeakPolarHBondContact O-CG1 3.31Å; I250-I254 PolarHBondContact O-N 3.37Å; Y251-I254 PolarHBondContact O-N 3.03Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.89Å; I254-L257 PolarHBondContact O-N 3.17Å; I254-F258 HydrophobicContact CG2-CD2 3.89Å; I254-F258 HydrophobicContact CG2-CE2 4.48Å; I254-F258 WeakPolarHBondContact O-CD2 3.5Å; I254-F258 PolarHBondContact O-N 2.93Å; I254-L260 HydrophobicContact CG2-CD1 3.92Å |
| 255 | N | 88.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 5% | 0.053 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 177.4 | -170.4 | 46.2 | 0 | 0 | 0 | 112.3 | Y251 L252 I253 L257 R259 L260 E261 M268 | Y251-N255 WeakPolarHBondContact O-CB 3.33Å; Y251-N255 PolarHBondContact O-N 3Å; L252-N255 PolarHBondContact O-N 2.93Å; I253-N255 VanDerWaalsContact C-N 3.3Å; I253-N255 PolarHBondContact O-N 3.49Å; N255-L257 VanDerWaalsContact C-N 3.34Å; N255-R259 WeakPolarHBondContact O-CA 3.39Å; N255-R259 PolarHBondContact O-N 3.2Å; N255-L260 VanDerWaalsContact OD1-CA 3.31Å; N255-L260 WeakPolarHBondContact OD1-CA 3.35Å; N255-L260 VanDerWaalsContact OD1-CB 3.25Å; N255-L260 WeakPolarHBondContact OD1-CB 3.3Å; N255-L260 PolarHBondContact OD1-N 3.35Å; N255-E261 PolarHBondContact OD1-N 2.99Å; N255-M268 HydrophobicContact CB-CE 4.15Å; N255-M268 WeakPolarHBondContact ND2-CE 3.34Å; N255-M268 PolarHBondContact ND2-SD 3.4Å |
| 256 | L | 88.1 | Confident | 86.8 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 68% | 0.681 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 176.3 | -175.9 | 65.5 | 0 | 0 | 0 | 111.5 | L252 I253 I254 | L252-L256 WeakPolarHBondContact O-CB 3.03Å; L252-L256 PolarHBondContact O-N 3.38Å; I253-L256 WeakPolarHBondContact O-CB 3.46Å; I253-L256 PolarHBondContact O-N 3.33Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.89Å |
| 257 | L | 90.3 | Very high | 86.2 | Confident | 125 Ų | 125 | 81.7 Ų | 81.7 | 65% | 0.654 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.7 | -41.6 | -179.7 | -68.6 | 172.7 | 0 | 0 | 0 | 112.9 | I253 I254 N255 | I253-L257 HydrophobicContact CG2-CD1 3.92Å; I253-L257 HydrophobicContact CG2-CG 4.41Å; I253-L257 VanDerWaalsContact O-CG 3.28Å; I253-L257 WeakPolarHBondContact O-CG 3.5Å; I253-L257 PolarHBondContact O-N 2.92Å; I254-L257 PolarHBondContact O-N 3.17Å; N255-L257 VanDerWaalsContact C-N 3.34Å |
| 258 | F | 89.8 | Confident | 85.5 | Confident | 146 Ų | 146 | 81 Ų | 81 | 64% | 0.64 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -106.7 | -4.3 | -172.5 | -66 | -75.3 | 0 | 0 | 0 | 114.7 | I254 L260 | I254-F258 HydrophobicContact CG2-CD2 3.89Å; I254-F258 HydrophobicContact CG2-CE2 4.48Å; I254-F258 WeakPolarHBondContact O-CD2 3.5Å; I254-F258 PolarHBondContact O-N 2.93Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 HydrophobicContact CB-CD2 4.05Å; F258-L260 HydrophobicContact CB-CG 4.17Å; F258-L260 PolarHBondContact O-N 2.93Å |
| 259 | R | 83.2 | Confident | 85 | Confident | 218 Ų | 218 | 84 Ų | 84 | 82% | 0.823 | 44% | 0.443 | S | S | * | . | trans | 46.2 | 53.2 | -175.3 | -65.3 | -174.5 | 177 | -124.6 | 2.8 | 112.5 | N255 E261 | N255-R259 WeakPolarHBondContact O-CA 3.39Å; N255-R259 PolarHBondContact O-N 3.2Å; R259-E261 VanDerWaalsContact C-N 3.26Å; R259-E261 PolarHBondContact O-N 3.43Å | ||
| 260 | L | 80.1 | Confident | 84.5 | Confident | 110 Ų | 110 | 87.5 Ų | 87.5 | 58% | 0.576 | 46% | 0.456 | S | S | * | . | trans | -64.8 | -33 | 178.2 | -57.2 | 175.1 | 0 | 0 | 0 | 111.7 | I254 N255 F258 | I254-L260 HydrophobicContact CG2-CD1 3.92Å; N255-L260 VanDerWaalsContact OD1-CA 3.31Å; N255-L260 WeakPolarHBondContact OD1-CA 3.35Å; N255-L260 VanDerWaalsContact OD1-CB 3.25Å; N255-L260 WeakPolarHBondContact OD1-CB 3.3Å; N255-L260 PolarHBondContact OD1-N 3.35Å; F258-L260 VanDerWaalsContact C-N 3.33Å; F258-L260 HydrophobicContact CB-CD2 4.05Å; F258-L260 HydrophobicContact CB-CG 4.17Å; F258-L260 PolarHBondContact O-N 2.93Å | ||
| 261 | E | 77 | Confident | 84.1 | Confident | 44 Ų | 44 | 86.5 Ų | 86.5 | 21% | 0.206 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -124.1 | 130.8 | 176.4 | -65.6 | 179.4 | -172.6 | 0 | 0 | 110.1 | Y251 N255 R259 L263 M268 H272 | Y251-E261 PolarHBondContact OH-OE1 2.94Å; N255-E261 PolarHBondContact OD1-N 2.99Å; R259-E261 VanDerWaalsContact C-N 3.26Å; R259-E261 PolarHBondContact O-N 3.43Å; E261-L263 HydrophobicContact CB-CD1 4.48Å; E261-L263 PolarHBondContact O-N 2.93Å; E261-L263 VanDerWaalsContact O-N 3.11Å; E261-M268 WeakPolarHBondContact OE2-CE 3.49Å; E261-H272 IonicContact OE1-NE2 2.71Å; E261-H272 IonicContact OE2-CE1 3.91Å; E261-H272 PolarHBondContact OE2-CE1 3.42Å; E261-H272 IonicContact OE2-NE2 3.05Å |
| 262 | A | 76.5 | Confident | 83.7 | Confident | 116 Ų | 116 | 85.7 Ų | 85.7 | 96% | 0.959 | 45% | 0.449 | S | S | * | . | trans | -81.9 | 27.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 263 | L | 76.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 86 Ų | 86 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -104.1 | 150.6 | -176.2 | -74.7 | 148.6 | 0 | 0 | 0 | 110.7 | E261 E267 M268 | E261-L263 HydrophobicContact CB-CD1 4.48Å; E261-L263 PolarHBondContact O-N 2.93Å; E261-L263 VanDerWaalsContact O-N 3.11Å; L263-E267 HydrophobicContact CD2-CB 4.12Å; L263-M268 HydrophobicContact CB-CG 3.58Å |
| 264 | T | 79.8 | Confident | 82.6 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | trans | -67 | 147.5 | 171.3 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | T266 E267 M268 | T264-T266 PolarHBondContact O-N 2.99Å; T264-T266 VanDerWaalsContact O-N 3.14Å; T264-E267 WeakPolarHBondContact CB-OE2 3.48Å; T264-E267 PolarHBondContact N-OE2 3.23Å; T264-E267 WeakPolarHBondContact O-CB 3.29Å; T264-E267 PolarHBondContact O-N 2.86Å; T264-E267 PolarHBondContact OG1-OE2 3.19Å; T264-M268 WeakPolarHBondContact O-CG 3.46Å; T264-M268 PolarHBondContact O-N 2.9Å | ||
| 265 | V | 78.6 | Confident | 82 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 44% | 0.436 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -52.1 | -40.9 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | M268 I269 | V265-M268 WeakPolarHBondContact O-CB 3.4Å; V265-M268 PolarHBondContact O-N 3.28Å; V265-I269 HydrophobicContact CG1-CD1 3.93Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.41Å; V265-I269 PolarHBondContact O-N 2.85Å |
| 266 | T | 80.5 | Confident | 81 | Confident | 107 Ų | 107 | 84.8 Ų | 84.8 | 66% | 0.656 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 178 | -42.7 | 0 | 0 | 0 | 0 | 112.5 | T264 M268 I269 M270 | T264-T266 PolarHBondContact O-N 2.99Å; T264-T266 VanDerWaalsContact O-N 3.14Å; T266-M268 VanDerWaalsContact C-N 3.35Å; T266-I269 PolarHBondContact O-N 3.44Å; T266-M270 PolarHBondContact O-N 2.84Å |
| 267 | E | 82.7 | Confident | 80.1 | Confident | 91 Ų | 91 | 80.9 Ų | 80.9 | 43% | 0.425 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 177.3 | -63.9 | 170.4 | 150.7 | 0 | 0 | 110.8 | L263 T264 M270 N271 | L263-E267 HydrophobicContact CD2-CB 4.12Å; T264-E267 WeakPolarHBondContact CB-OE2 3.48Å; T264-E267 PolarHBondContact N-OE2 3.23Å; T264-E267 WeakPolarHBondContact O-CB 3.29Å; T264-E267 PolarHBondContact O-N 2.86Å; T264-E267 PolarHBondContact OG1-OE2 3.19Å; E267-M270 PolarHBondContact O-N 3.44Å; E267-N271 VanDerWaalsContact O-CB 3.24Å; E267-N271 WeakPolarHBondContact O-CB 3.19Å; E267-N271 PolarHBondContact O-N 3.29Å; E267-N271 PolarHBondContact O-ND2 2.81Å |
| 268 | M | 80.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 173.8 | -69 | 175.1 | 67.3 | 0 | 0 | 111.5 | Y251 L252 N255 E261 L263 T264 V265 T266 M270 N271 H272 | Y251-M268 HydrophobicContact CE1-CE 3.87Å; L252-M268 HydrophobicContact CD2-CE 3.72Å; L252-M268 HydrophobicContact CD2-SD 4.41Å; N255-M268 HydrophobicContact CB-CE 4.15Å; N255-M268 WeakPolarHBondContact ND2-CE 3.34Å; N255-M268 PolarHBondContact ND2-SD 3.4Å; E261-M268 WeakPolarHBondContact OE2-CE 3.49Å; L263-M268 HydrophobicContact CB-CG 3.58Å; T264-M268 WeakPolarHBondContact O-CG 3.46Å; T264-M268 PolarHBondContact O-N 2.9Å; V265-M268 WeakPolarHBondContact O-CB 3.4Å; V265-M268 PolarHBondContact O-N 3.28Å; T266-M268 VanDerWaalsContact C-N 3.35Å; M268-M270 VanDerWaalsContact C-N 3.3Å; M268-M270 PolarHBondContact O-N 3.23Å; M268-N271 PolarHBondContact O-N 3.44Å; M268-H272 VanDerWaalsContact O-CB 3.23Å; M268-H272 WeakPolarHBondContact O-CB 3.32Å; M268-H272 PolarHBondContact O-N 3.15Å; M268-H272 PolarHBondContact O-ND1 2.98Å; M268-H272 VanDerWaalsContact O-ND1 3.11Å |
| 269 | I | 82.2 | Confident | 77.3 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 179.5 | -69 | 164.4 | 0 | 0 | 0 | 110.2 | Y248 V265 T266 H272 A273 | Y248-I269 HydrophobicContact CE1-CG1 4.17Å; Y248-I269 WeakPolarHBondContact OH-CA 3.29Å; Y248-I269 WeakPolarHBondContact OH-CG1 3.14Å; V265-I269 HydrophobicContact CG1-CD1 3.93Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.41Å; V265-I269 PolarHBondContact O-N 2.85Å; T266-I269 PolarHBondContact O-N 3.44Å; I269-H272 PolarHBondContact O-N 2.65Å; I269-A273 WeakPolarHBondContact O-CB 3.47Å; I269-A273 PolarHBondContact O-N 3.07Å |
| 270 | M | 83.5 | Confident | 76.1 | Confident | 122 Ų | 122 | 70 Ų | 70 | 60% | 0.601 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62 | -48.9 | 177.5 | -172 | -179 | 68.1 | 0 | 0 | 111.4 | T266 E267 M268 H272 A273 I274 | T266-M270 PolarHBondContact O-N 2.84Å; E267-M270 PolarHBondContact O-N 3.44Å; M268-M270 VanDerWaalsContact C-N 3.3Å; M268-M270 PolarHBondContact O-N 3.23Å; M270-H272 VanDerWaalsContact C-N 3.31Å; M270-H272 PolarHBondContact O-N 3.02Å; M270-A273 PolarHBondContact O-N 2.97Å; M270-I274 WeakPolarHBondContact O-CG1 3.48Å; M270-I274 PolarHBondContact O-N 2.85Å |
| 271 | N | 82.7 | Confident | 75.1 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 32% | 0.321 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 180 | -72.9 | -14.3 | 0 | 0 | 0 | 112.7 | E267 M268 | E267-N271 VanDerWaalsContact O-CB 3.24Å; E267-N271 WeakPolarHBondContact O-CB 3.19Å; E267-N271 PolarHBondContact O-N 3.29Å; E267-N271 PolarHBondContact O-ND2 2.81Å; M268-N271 PolarHBondContact O-N 3.44Å |
| 272 | H | 84.1 | Confident | 75.2 | Confident | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.037 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -77.2 | -36.9 | 178.3 | -63.9 | 150.7 | 0 | 0 | 0 | 111.8 | Y248 E261 M268 I269 M270 I274 I275 C399 | Y248-H272 HydrophobicContact CE2-CB 4.48Å; Y248-H272 AromaticContact CE2-ND1 3.83Å; Y248-H272 PolarHBondContact OH-ND1 3.07Å; E261-H272 IonicContact OE1-NE2 2.71Å; E261-H272 IonicContact OE2-CE1 3.91Å; E261-H272 PolarHBondContact OE2-CE1 3.42Å; E261-H272 IonicContact OE2-NE2 3.05Å; M268-H272 VanDerWaalsContact O-CB 3.23Å; M268-H272 WeakPolarHBondContact O-CB 3.32Å; M268-H272 PolarHBondContact O-N 3.15Å; M268-H272 PolarHBondContact O-ND1 2.98Å; M268-H272 VanDerWaalsContact O-ND1 3.11Å; I269-H272 PolarHBondContact O-N 2.65Å; M270-H272 VanDerWaalsContact C-N 3.31Å; M270-H272 PolarHBondContact O-N 3.02Å; H272-I274 PolarHBondContact O-N 2.9Å; H272-I275 WeakPolarHBondContact O-CB 3.13Å; H272-I275 WeakPolarHBondContact O-CG2 3.43Å; H272-I275 PolarHBondContact O-N 3.21Å; H272-C399 HydrophobicContact CB-CB 3.86Å |
| 273 | A | 81.1 | Confident | 75.3 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -24.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I269 M270 I275 V276 A277 | I269-A273 WeakPolarHBondContact O-CB 3.47Å; I269-A273 PolarHBondContact O-N 3.07Å; M270-A273 PolarHBondContact O-N 2.97Å; A273-I275 PolarHBondContact O-N 3.07Å; A273-I275 VanDerWaalsContact O-N 3.07Å; A273-V276 PolarHBondContact O-N 3.11Å; A273-A277 PolarHBondContact O-N 3.09Å |
| 274 | I | 78.5 | Confident | 75.5 | Confident | 92 Ų | 92 | 79.2 Ų | 79.2 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -53.1 | -30.6 | 173.8 | -69.4 | 167.3 | 0 | 0 | 0 | 111.7 | M270 H272 V276 A277 S278 | M270-I274 WeakPolarHBondContact O-CG1 3.48Å; M270-I274 PolarHBondContact O-N 2.85Å; H272-I274 PolarHBondContact O-N 2.9Å; I274-V276 PolarHBondContact O-N 3.03Å; I274-A277 PolarHBondContact O-N 3.33Å; I274-A277 VanDerWaalsContact O-N 3.07Å; I274-S278 PolarHBondContact O-N 3.16Å |
| 275 | I | 77.2 | Confident | 75.6 | Confident | 17 Ų | 17 | 79.8 Ų | 79.8 | 9% | 0.087 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.5 | -33.4 | 177.8 | -163.3 | 160.3 | 0 | 0 | 0 | 113.1 | H272 A273 I389 P392 Q396 | H272-I275 WeakPolarHBondContact O-CB 3.13Å; H272-I275 WeakPolarHBondContact O-CG2 3.43Å; H272-I275 PolarHBondContact O-N 3.21Å; A273-I275 PolarHBondContact O-N 3.07Å; A273-I275 VanDerWaalsContact O-N 3.07Å; I275-I389 HydrophobicContact CD1-CD1 3.88Å; I275-I389 HydrophobicContact CD1-CG1 4.24Å; I275-I389 HydrophobicContact CD1-CG2 3.48Å; I275-I389 VanDerWaalsContact CD1-CG2 3.48Å; I275-I389 HydrophobicContact CG1-CD1 3.97Å; I275-I389 HydrophobicContact CG1-CG1 4.04Å; I275-I389 HydrophobicContact CG1-CG2 3.93Å; I275-P392 HydrophobicContact CD1-CB 3.69Å; I275-Q396 HydrophobicContact CB-CB 4.43Å; I275-Q396 HydrophobicContact CB-CG 4.27Å; I275-Q396 HydrophobicContact CD1-CB 3.56Å; I275-Q396 HydrophobicContact CD1-CG 4.14Å |
| 276 | V | 69.1 | Low | 75.8 | Confident | 45 Ų | 45 | 78 Ų | 78 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -79.2 | -32.4 | 179 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | A273 I274 I286 A403 | A273-V276 PolarHBondContact O-N 3.11Å; I274-V276 PolarHBondContact O-N 3.03Å; V276-I286 HydrophobicContact CG1-CG2 4.26Å; V276-I286 WeakPolarHBondContact O-CG2 3.49Å; V276-A403 HydrophobicContact CG2-CB 4.29Å |
| 277 | A | 68 | Low | 76 | Confident | 48 Ų | 48 | 77 Ų | 77 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -80.8 | -17.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A273 I274 D279 | A273-A277 PolarHBondContact O-N 3.09Å; I274-A277 PolarHBondContact O-N 3.33Å; I274-A277 VanDerWaalsContact O-N 3.07Å; A277-D279 PolarHBondContact O-N 3.34Å |
| 278 | S | 61.7 | Low | 76.1 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 16% | 0.161 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 16 | 87.5 | 178.9 | 77.2 | 0 | 0 | 0 | 0 | 115.3 | I274 Q280 R289 | I274-S278 PolarHBondContact O-N 3.16Å; S278-Q280 WeakPolarHBondContact O-CB 3.5Å; S278-Q280 WeakPolarHBondContact O-CG 3.43Å; S278-Q280 PolarHBondContact O-N 3.41Å; S278-R289 PolarHBondContact OG-NH1 2.95Å |
| 279 | D | 59.5 | Low | 76.5 | Confident | 155 Ų | 155 | 79.6 Ų | 79.6 | 83% | 0.829 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 6.8 | 165.7 | -63.3 | -21.6 | 0 | 0 | 0 | 119.6 | A277 | A277-D279 PolarHBondContact O-N 3.34Š|
| 280 | Q | 59 | Low | 76.7 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | trans | -127.5 | 114.6 | -169 | -66.8 | -69.8 | -46.1 | 0 | 0 | 109.1 | S278 K282 | S278-Q280 WeakPolarHBondContact O-CB 3.5Å; S278-Q280 WeakPolarHBondContact O-CG 3.43Å; S278-Q280 PolarHBondContact O-N 3.41Å; Q280-K282 PolarHBondContact O-N 3.08Å; Q280-K282 VanDerWaalsContact O-N 3.11Å | ||
| 281 | P | 59.2 | Low | 77 | Confident | 121 Ų | 121 | 74 Ų | 74 | 79% | 0.786 | 41% | 0.405 | S | S | * | . | trans | -73.1 | -6.7 | -170.9 | 27.5 | -34.9 | 0 | 0 | 0 | 114.4 | I283 | P281-I283 PolarHBondContact O-N 2.94Š| ||
| 282 | K | 77.6 | Confident | 77.4 | Confident | 140 Ų | 140 | 75.5 Ų | 75.5 | 61% | 0.609 | 41% | 0.412 | S | S | * | . | trans | -85.6 | 101.5 | -176.9 | -63.8 | -168.7 | -178.5 | -170.9 | 0 | 110.8 | Q280 M284 K285 | Q280-K282 PolarHBondContact O-N 3.08Å; Q280-K282 VanDerWaalsContact O-N 3.11Å; K282-M284 PolarHBondContact O-N 3.08Å; K282-M284 VanDerWaalsContact O-N 3.08Å; K282-K285 HydrophobicContact CB-CD 4.47Å; K282-K285 HydrophobicContact CB-CG 4.31Å; K282-K285 PolarHBondContact O-N 3.28Å | ||
| 283 | I | 79.5 | Confident | 77.8 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -44.5 | -41.6 | 175 | -64.3 | 167.2 | 0 | 0 | 0 | 112.2 | P281 K285 I286 I287 | P281-I283 PolarHBondContact O-N 2.94Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 2.97Å; I283-I286 WeakPolarHBondContact O-CB 3.34Å; I283-I286 PolarHBondContact O-N 3.26Å; I283-I287 HydrophobicContact CG2-CD1 3.68Å; I283-I287 HydrophobicContact CG2-CG1 4.2Å; I283-I287 WeakPolarHBondContact O-CG1 3.37Å; I283-I287 PolarHBondContact O-N 3.36Å |
| 284 | M | 80.7 | Confident | 78.4 | Confident | 155 Ų | 155 | 73.6 Ų | 73.6 | 76% | 0.764 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57 | -38.3 | 178.5 | -68.8 | -64.2 | -100.2 | 0 | 0 | 113.6 | K282 A288 | K282-M284 PolarHBondContact O-N 3.08Å; K282-M284 VanDerWaalsContact O-N 3.08Å; M284-A288 WeakPolarHBondContact O-CB 3.28Å; M284-A288 PolarHBondContact O-N 3.43Å |
| 285 | K | 82.1 | Confident | 79 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 42% | 0.422 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.1 | -35 | 178 | -69.7 | -174.9 | 178.6 | -179 | 0 | 111.7 | K282 I283 R289 | K282-K285 HydrophobicContact CB-CD 4.47Å; K282-K285 HydrophobicContact CB-CG 4.31Å; K282-K285 PolarHBondContact O-N 3.28Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 2.97Å; K285-R289 VanDerWaalsContact O-CG 3.25Å; K285-R289 WeakPolarHBondContact O-CG 3.33Å; K285-R289 PolarHBondContact O-N 3.15Å |
| 286 | I | 82 | Confident | 79.9 | Confident | 34 Ų | 34 | 72 Ų | 72 | 17% | 0.174 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.2 | -49.8 | 177.1 | -64.1 | 164 | 0 | 0 | 0 | 109.2 | V276 I283 A288 R289 C290 | V276-I286 HydrophobicContact CG1-CG2 4.26Å; V276-I286 WeakPolarHBondContact O-CG2 3.49Å; I283-I286 WeakPolarHBondContact O-CB 3.34Å; I283-I286 PolarHBondContact O-N 3.26Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 2.91Å; I286-R289 PolarHBondContact O-N 3.09Å; I286-R289 VanDerWaalsContact O-N 3.15Å; I286-C290 PolarHBondContact O-N 3.03Å; I286-C290 PolarHBondContact O-SG 3.23Å; I286-C290 VanDerWaalsContact O-SG 3.33Å |
| 287 | I | 84.3 | Confident | 81.1 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 45% | 0.451 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 177.3 | -64.8 | 172.9 | 0 | 0 | 0 | 110.8 | I283 R289 C290 S291 | I283-I287 HydrophobicContact CG2-CD1 3.68Å; I283-I287 HydrophobicContact CG2-CG1 4.2Å; I283-I287 WeakPolarHBondContact O-CG1 3.37Å; I283-I287 PolarHBondContact O-N 3.36Å; I287-R289 PolarHBondContact O-N 3.16Å; I287-C290 PolarHBondContact O-N 3.22Å; I287-S291 VanDerWaalsContact O-CB 3.24Å; I287-S291 WeakPolarHBondContact O-CB 3.3Å; I287-S291 PolarHBondContact O-N 3.47Å |
| 288 | A | 86.6 | Confident | 82.3 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M284 I286 L292 | M284-A288 WeakPolarHBondContact O-CB 3.28Å; M284-A288 PolarHBondContact O-N 3.43Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 2.91Å; A288-L292 WeakPolarHBondContact O-CB 3.29Å; A288-L292 PolarHBondContact O-N 3.48Å |
| 289 | R | 87.1 | Confident | 83.8 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 32% | 0.321 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 175.8 | -73.6 | 170.6 | -177.2 | -179.9 | -0 | 112 | S278 K285 I286 I287 L292 L293 I388 | S278-R289 PolarHBondContact OG-NH1 2.95Å; K285-R289 VanDerWaalsContact O-CG 3.25Å; K285-R289 WeakPolarHBondContact O-CG 3.33Å; K285-R289 PolarHBondContact O-N 3.15Å; I286-R289 PolarHBondContact O-N 3.09Å; I286-R289 VanDerWaalsContact O-N 3.15Å; I287-R289 PolarHBondContact O-N 3.16Å; R289-L292 PolarHBondContact O-N 3.16Å; R289-L293 WeakPolarHBondContact O-CG 3.43Å; R289-L293 PolarHBondContact O-N 2.98Å; R289-I388 HydrophobicContact CB-CD1 4.3Å; R289-I388 HydrophobicContact CG-CD1 4.36Å |
| 290 | C | 86.9 | Confident | 85.5 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.3 | -68 | 0 | 0 | 0 | 0 | 111 | I286 I287 L293 S294 F407 | I286-C290 PolarHBondContact O-N 3.03Å; I286-C290 PolarHBondContact O-SG 3.23Å; I286-C290 VanDerWaalsContact O-SG 3.33Å; I287-C290 PolarHBondContact O-N 3.22Å; C290-L293 PolarHBondContact O-N 3.24Å; C290-S294 WeakPolarHBondContact O-CB 3.35Å; C290-S294 PolarHBondContact O-N 2.88Å; C290-F407 HydrophobicContact CB-CE1 4.35Å; C290-F407 HydrophobicContact CB-CE2 4.33Å; C290-F407 HydrophobicContact CB-CZ 4.15Å |
| 291 | S | 89.4 | Confident | 87.2 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.7 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | I287 S295 | I287-S291 VanDerWaalsContact O-CB 3.24Å; I287-S291 WeakPolarHBondContact O-CB 3.3Å; I287-S291 PolarHBondContact O-N 3.47Å; S291-S295 WeakPolarHBondContact O-CB 3.3Å; S291-S295 PolarHBondContact O-N 2.99Å; S291-S295 PolarHBondContact O-OG 2.96Å |
| 292 | L | 91.9 | Very high | 88.8 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 176 | 178.7 | 64.9 | 0 | 0 | 0 | 111.8 | A288 R289 S295 L296 V384 | A288-L292 WeakPolarHBondContact O-CB 3.29Å; A288-L292 PolarHBondContact O-N 3.48Å; R289-L292 PolarHBondContact O-N 3.16Å; L292-S295 PolarHBondContact O-N 3.37Å; L292-L296 HydrophobicContact CD1-CD1 4.27Å; L292-L296 HydrophobicContact CD1-CG 4.39Å; L292-L296 HydrophobicContact CG-CD1 4.16Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.44Å; L292-L296 PolarHBondContact O-N 3.25Å; L292-V384 HydrophobicContact CD2-CG1 4.32Å |
| 293 | L | 93.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | -179.8 | -76.1 | 173.4 | 0 | 0 | 0 | 112 | R289 C290 W297 F381 V384 L385 I388 F400 | R289-L293 WeakPolarHBondContact O-CG 3.43Å; R289-L293 PolarHBondContact O-N 2.98Å; C290-L293 PolarHBondContact O-N 3.24Å; L293-W297 WeakPolarHBondContact O-CB 3.18Å; L293-W297 PolarHBondContact O-N 3.45Å; L293-F381 HydrophobicContact CB-CD2 4.49Å; L293-F381 HydrophobicContact CB-CE2 4.17Å; L293-F381 HydrophobicContact CD2-CD2 3.85Å; L293-F381 HydrophobicContact CD2-CE2 3.93Å; L293-F381 WeakPolarHBondContact O-CD2 3.07Å; L293-V384 HydrophobicContact CD2-CB 4.19Å; L293-V384 HydrophobicContact CD2-CG1 3.8Å; L293-V384 HydrophobicContact CG-CG1 4.45Å; L293-L385 HydrophobicContact CD1-CD1 4.16Å; L293-L385 HydrophobicContact CD2-CB 4.33Å; L293-I388 HydrophobicContact CD1-CD1 3.77Å; L293-I388 HydrophobicContact CD2-CD1 4.49Å; L293-I388 HydrophobicContact CG-CD1 4.21Å; L293-F400 HydrophobicContact CD1-CE2 3.78Å; L293-F400 HydrophobicContact CD1-CZ 3.97Å |
| 294 | S | 92.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 174.8 | 168.8 | 0 | 0 | 0 | 0 | 112 | C290 L296 W297 Q298 F407 N408 | C290-S294 WeakPolarHBondContact O-CB 3.35Å; C290-S294 PolarHBondContact O-N 2.88Å; S294-L296 PolarHBondContact O-N 3.38Å; S294-W297 WeakPolarHBondContact O-CB 3.3Å; S294-W297 PolarHBondContact O-N 3.41Å; S294-Q298 WeakPolarHBondContact O-CG 3.22Å; S294-Q298 PolarHBondContact O-N 3.43Å; S294-F407 VanDerWaalsContact CB-CD1 3.42Å; S294-F407 VanDerWaalsContact CB-CE1 3.48Å; S294-F407 WeakPolarHBondContact OG-CD1 3.13Å; S294-N408 WeakPolarHBondContact CB-OD1 3.35Å; S294-N408 PolarHBondContact O-OD1 3.4Å; S294-N408 PolarHBondContact OG-OD1 2.9Å |
| 295 | S | 92.3 | Very high | 91.1 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | S291 L292 W297 Q298 I299 | S291-S295 WeakPolarHBondContact O-CB 3.3Å; S291-S295 PolarHBondContact O-N 2.99Å; S291-S295 PolarHBondContact O-OG 2.96Å; L292-S295 PolarHBondContact O-N 3.37Å; S295-W297 VanDerWaalsContact C-N 3.28Å; S295-W297 PolarHBondContact O-N 2.89Å; S295-Q298 PolarHBondContact O-N 3.39Å; S295-I299 WeakPolarHBondContact O-CD1 3.44Å; S295-I299 VanDerWaalsContact O-CG1 3.23Å; S295-I299 WeakPolarHBondContact O-CG1 3.41Å; S295-I299 PolarHBondContact O-N 2.89Å |
| 296 | L | 95.1 | Very high | 91.6 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 14% | 0.141 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 176.4 | -71.6 | 170.2 | 0 | 0 | 0 | 111.4 | L292 S294 F300 I377 F381 V384 | L292-L296 HydrophobicContact CD1-CD1 4.27Å; L292-L296 HydrophobicContact CD1-CG 4.39Å; L292-L296 HydrophobicContact CG-CD1 4.16Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.44Å; L292-L296 PolarHBondContact O-N 3.25Å; S294-L296 PolarHBondContact O-N 3.38Å; L296-F300 VanDerWaalsContact O-CB 3.27Å; L296-F300 WeakPolarHBondContact O-CB 3.42Å; L296-F300 PolarHBondContact O-N 3.39Å; L296-I377 HydrophobicContact CB-CG2 4.31Å; L296-I377 HydrophobicContact CD2-CG2 3.95Å; L296-I377 WeakPolarHBondContact O-CG2 3.14Å; L296-F381 HydrophobicContact CB-CB 4.15Å; L296-F381 HydrophobicContact CB-CD2 4.35Å; L296-V384 HydrophobicContact CD1-CG2 4.41Å |
| 297 | W | 95.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 176.2 | 178.5 | -94.4 | 0 | 0 | 0 | 112.3 | L244 L293 S294 S295 F300 I301 F378 F381 L404 Y445 | L244-W297 HydrophobicContact CD1-CH2 4Å; L244-W297 HydrophobicContact CD1-CZ2 3.28Å; L244-W297 HydrophobicContact CD2-CH2 4.36Å; L244-W297 HydrophobicContact CD2-CZ2 4.21Å; L244-W297 HydrophobicContact CG-CZ2 4.2Å; L293-W297 WeakPolarHBondContact O-CB 3.18Å; L293-W297 PolarHBondContact O-N 3.45Å; S294-W297 WeakPolarHBondContact O-CB 3.3Å; S294-W297 PolarHBondContact O-N 3.41Å; S295-W297 VanDerWaalsContact C-N 3.28Å; S295-W297 PolarHBondContact O-N 2.89Å; W297-F300 HydrophobicContact CE3-CD1 4.46Å; W297-F300 WeakPolarHBondContact O-CB 3.27Å; W297-F300 PolarHBondContact O-N 2.96Å; W297-I301 WeakPolarHBondContact O-CG2 2.74Å; W297-I301 PolarHBondContact O-N 2.89Å; W297-F378 HydrophobicContact CZ3-CE2 4.18Å; W297-F381 HydrophobicContact CB-CD2 4.41Å; W297-F381 HydrophobicContact CB-CE2 4.29Å; W297-F381 HydrophobicContact CE3-CD1 4.17Å; W297-F381 AromaticContact CE3-CE1 3.76Å; W297-F381 HydrophobicContact CE3-CE1 3.76Å; W297-F381 HydrophobicContact CE3-CE2 4.19Å; W297-F381 AromaticContact CE3-CZ 3.77Å; W297-F381 HydrophobicContact CE3-CZ 3.77Å; W297-F381 HydrophobicContact CZ3-CD1 4.46Å; W297-F381 AromaticContact CZ3-CE1 3.86Å; W297-F381 HydrophobicContact CZ3-CE1 3.86Å; W297-F381 HydrophobicContact CZ3-CZ 4.15Å; W297-L404 HydrophobicContact CD2-CD2 4.05Å; W297-L404 HydrophobicContact CG-CD2 4.06Å; W297-Y445 AromaticContact CH2-CE1 3.34Å; W297-Y445 HydrophobicContact CH2-CE1 3.34Å; W297-Y445 AromaticContact CH2-CZ 3.45Å; W297-Y445 VanDerWaalsContact CH2-CZ 3.45Å; W297-Y445 WeakPolarHBondContact CH2-OH 3.44Å; W297-Y445 HydrophobicContact CZ2-CD1 4.49Å; W297-Y445 AromaticContact CZ2-CE1 3.34Å; W297-Y445 HydrophobicContact CZ2-CE1 3.34Å; W297-Y445 AromaticContact CZ2-CZ 3.61Å; W297-Y445 WeakPolarHBondContact CZ2-OH 3.32Å; W297-Y445 VanDerWaalsContact CZ3-OH 3.3Å; W297-Y445 WeakPolarHBondContact CZ3-OH 3.48Å |
| 298 | Q | 92.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.3 | -41 | -176.3 | -66.1 | -61.6 | 45.6 | 0 | 0 | 112.9 | S241 S294 S295 F300 I301 H302 N408 T412 | S241-Q298 PolarHBondContact OG-NE2 3.04Å; S241-Q298 PolarHBondContact OG-OE1 3.45Å; S294-Q298 WeakPolarHBondContact O-CG 3.22Å; S294-Q298 PolarHBondContact O-N 3.43Å; S295-Q298 PolarHBondContact O-N 3.39Å; Q298-F300 VanDerWaalsContact C-N 3.33Å; Q298-F300 PolarHBondContact O-N 3.15Å; Q298-I301 PolarHBondContact O-N 3.06Å; Q298-H302 WeakPolarHBondContact O-CB 3.27Å; Q298-H302 PolarHBondContact O-N 2.96Å; Q298-N408 VanDerWaalsContact CG-OD1 3.31Å; Q298-N408 WeakPolarHBondContact CG-OD1 3.11Å; Q298-T412 PolarHBondContact NE2-OG1 3.37Å |
| 299 | I | 93.1 | Very high | 93 | Very high | 83 Ų | 83 | 32.9 Ų | 32.9 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 176.2 | -60.4 | 162.6 | 0 | 0 | 0 | 109.7 | S295 I301 C303 I377 | S295-I299 WeakPolarHBondContact O-CD1 3.44Å; S295-I299 VanDerWaalsContact O-CG1 3.23Å; S295-I299 WeakPolarHBondContact O-CG1 3.41Å; S295-I299 PolarHBondContact O-N 2.89Å; I299-I301 PolarHBondContact O-N 3.41Å; I299-C303 VanDerWaalsContact O-CB 3.23Å; I299-C303 WeakPolarHBondContact O-CB 3.4Å; I299-C303 PolarHBondContact O-N 3.09Å; I299-C303 PolarHBondContact O-SG 2.85Å; I299-I377 HydrophobicContact CB-CD1 4.27Å; I299-I377 HydrophobicContact CB-CG2 4.45Å; I299-I377 HydrophobicContact CG2-CD1 3.4Å |
| 300 | F | 95.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.4 | -58.8 | 175.8 | 152 | -112.3 | 0 | 0 | 0 | 111.3 | L296 W297 Q298 H302 C303 Y304 S374 I377 F378 Y445 | L296-F300 VanDerWaalsContact O-CB 3.27Å; L296-F300 WeakPolarHBondContact O-CB 3.42Å; L296-F300 PolarHBondContact O-N 3.39Å; W297-F300 HydrophobicContact CE3-CD1 4.46Å; W297-F300 WeakPolarHBondContact O-CB 3.27Å; W297-F300 PolarHBondContact O-N 2.96Å; Q298-F300 VanDerWaalsContact C-N 3.33Å; Q298-F300 PolarHBondContact O-N 3.15Å; F300-H302 PolarHBondContact O-N 2.86Å; F300-C303 PolarHBondContact O-N 2.99Å; F300-Y304 HydrophobicContact CE2-CD2 4.18Å; F300-Y304 HydrophobicContact CE2-CG 4.3Å; F300-Y304 WeakPolarHBondContact O-CB 3.17Å; F300-Y304 PolarHBondContact O-N 3.46Å; F300-S374 WeakPolarHBondContact CD2-O 3.34Å; F300-S374 WeakPolarHBondContact CD2-OG 3.5Å; F300-S374 PolarHBondContact O-OG 3.25Å; F300-I377 HydrophobicContact CB-CB 4.38Å; F300-I377 HydrophobicContact CB-CG2 3.92Å; F300-F378 HydrophobicContact CB-CB 4.46Å; F300-F378 HydrophobicContact CD1-CB 4.4Å; F300-F378 AromaticContact CD1-CD2 3.68Å; F300-F378 HydrophobicContact CD1-CD2 3.68Å; F300-F378 HydrophobicContact CD1-CE2 4.36Å; F300-F378 HydrophobicContact CD1-CG 4.31Å; F300-F378 HydrophobicContact CD2-CB 3.47Å; F300-F378 VanDerWaalsContact CD2-CB 3.47Å; F300-F378 HydrophobicContact CD2-CD2 4.21Å; F300-F378 HydrophobicContact CD2-CG 4.01Å; F300-F378 AromaticContact CE1-CD2 3.59Å; F300-F378 HydrophobicContact CE1-CD2 3.59Å; F300-F378 AromaticContact CE1-CE2 3.94Å; F300-F378 HydrophobicContact CE1-CE2 3.94Å; F300-F378 HydrophobicContact CE1-CG 4.16Å; F300-F378 HydrophobicContact CE2-CB 3.71Å; F300-F378 HydrophobicContact CE2-CD1 4.41Å; F300-F378 HydrophobicContact CE2-CD2 4.14Å; F300-F378 AromaticContact CE2-CG 3.85Å; F300-F378 HydrophobicContact CE2-CG 3.85Å; F300-F378 HydrophobicContact CG-CB 3.84Å; F300-F378 AromaticContact CG-CD2 3.99Å; F300-F378 HydrophobicContact CG-CD2 3.99Å; F300-F378 HydrophobicContact CG-CG 4.23Å; F300-F378 HydrophobicContact CZ-CB 4.28Å; F300-F378 HydrophobicContact CZ-CD1 4.4Å; F300-F378 AromaticContact CZ-CD2 3.83Å; F300-F378 HydrophobicContact CZ-CD2 3.83Å; F300-F378 HydrophobicContact CZ-CE2 4.25Å; F300-F378 AromaticContact CZ-CG 3.93Å; F300-F378 HydrophobicContact CZ-CG 3.93Å; F300-Y445 WeakPolarHBondContact CE1-OH 3.36Å |
| 301 | I | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -36.9 | -169.2 | -160.6 | 69.4 | 0 | 0 | 0 | 111.4 | F208 I240 W297 Q298 I299 Y304 I305 Y445 | F208-I301 HydrophobicContact CZ-CD1 4.01Å; I240-I301 HydrophobicContact CD1-CD1 3.87Å; I240-I301 HydrophobicContact CD1-CG1 3.78Å; I240-I301 HydrophobicContact CG2-CD1 4.4Å; I240-I301 HydrophobicContact CG2-CG1 4.3Å; W297-I301 WeakPolarHBondContact O-CG2 2.74Å; W297-I301 PolarHBondContact O-N 2.89Å; Q298-I301 PolarHBondContact O-N 3.06Å; I299-I301 PolarHBondContact O-N 3.41Å; I301-Y304 PolarHBondContact O-N 3.37Å; I301-I305 HydrophobicContact CG1-CD1 4.04Å; I301-I305 WeakPolarHBondContact O-CB 3.43Å; I301-I305 VanDerWaalsContact O-CG1 3.3Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.31Å; I301-Y445 HydrophobicContact CD1-CD2 4.3Å; I301-Y445 HydrophobicContact CD1-CE2 3.68Å |
| 302 | H | 92.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 20% | 0.204 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 176 | 179.5 | 86.6 | 0 | 0 | 0 | 111.2 | S234 Q298 F300 Y304 R306 | S234-H302 PolarHBondContact OG-CE1 3.02Å; S234-H302 VanDerWaalsContact OG-CE1 3.25Å; S234-H302 PolarHBondContact OG-ND1 3.3Å; Q298-H302 WeakPolarHBondContact O-CB 3.27Å; Q298-H302 PolarHBondContact O-N 2.96Å; F300-H302 PolarHBondContact O-N 2.86Å; H302-Y304 VanDerWaalsContact C-N 3.29Å; H302-Y304 PolarHBondContact O-N 3.23Å; H302-R306 WeakPolarHBondContact O-CB 3.39Å; H302-R306 PolarHBondContact O-N 3.11Å |
| 303 | C | 94.9 | Very high | 93.9 | Very high | 17 Ų | 17 | 27.3 Ų | 27.3 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -38.3 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | I299 F300 S307 L370 | I299-C303 VanDerWaalsContact O-CB 3.23Å; I299-C303 WeakPolarHBondContact O-CB 3.4Å; I299-C303 PolarHBondContact O-N 3.09Å; I299-C303 PolarHBondContact O-SG 2.85Å; F300-C303 PolarHBondContact O-N 2.99Å; C303-S307 WeakPolarHBondContact O-CB 3.47Å; C303-S307 PolarHBondContact O-N 2.94Å; C303-S307 PolarHBondContact O-OG 3.13Å; C303-L370 HydrophobicContact CB-CD1 3.93Å; C303-L370 HydrophobicContact CB-CG 3.96Å |
| 304 | Y | 96.5 | Very high | 94 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.4 | -53.7 | 179.2 | -160.2 | -100.2 | 0 | 0 | 0 | 111.5 | F205 F208 F300 I301 H302 R306 S307 L308 C316 T320 T371 S374 I375 | F205-Y304 WeakPolarHBondContact CZ-OH 3.29Å; F208-Y304 AromaticContact CD1-CE1 3.95Å; F208-Y304 HydrophobicContact CD1-CE1 3.95Å; F208-Y304 AromaticContact CE1-CD1 3.52Å; F208-Y304 HydrophobicContact CE1-CD1 3.52Å; F208-Y304 AromaticContact CE1-CE1 3.35Å; F208-Y304 HydrophobicContact CE1-CE1 3.35Å; F208-Y304 HydrophobicContact CZ-CD1 4.13Å; F208-Y304 HydrophobicContact CZ-CE1 4.36Å; F300-Y304 HydrophobicContact CE2-CD2 4.18Å; F300-Y304 HydrophobicContact CE2-CG 4.3Å; F300-Y304 WeakPolarHBondContact O-CB 3.17Å; F300-Y304 PolarHBondContact O-N 3.46Å; I301-Y304 PolarHBondContact O-N 3.37Å; H302-Y304 VanDerWaalsContact C-N 3.29Å; H302-Y304 PolarHBondContact O-N 3.23Å; Y304-R306 PolarHBondContact O-N 3.44Å; Y304-S307 PolarHBondContact O-N 2.88Å; Y304-S307 PolarHBondContact O-OG 3.47Å; Y304-L308 HydrophobicContact CD1-CD1 3.68Å; Y304-L308 HydrophobicContact CE1-CD1 3.48Å; Y304-L308 VanDerWaalsContact CE1-CD1 3.48Å; Y304-L308 HydrophobicContact CE1-CG 4.39Å; Y304-L308 PolarHBondContact O-N 2.97Å; Y304-L308 VanDerWaalsContact O-N 3.17Å; Y304-C316 PolarHBondContact OH-SG 3.4Å; Y304-T320 WeakPolarHBondContact CE2-OG1 3.48Å; Y304-T320 PolarHBondContact OH-OG1 2.7Å; Y304-T371 HydrophobicContact CD2-CG2 4.42Å; Y304-T371 HydrophobicContact CE2-CG2 4.21Å; Y304-S374 VanDerWaalsContact CB-OG 3.32Å; Y304-S374 WeakPolarHBondContact CB-OG 3.34Å; Y304-S374 PolarHBondContact N-OG 2.85Å; Y304-I375 HydrophobicContact CD2-CD1 4.23Å; Y304-I375 HydrophobicContact CE2-CD1 3.84Å |
| 305 | I | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -48 | -179.8 | -68.6 | 169.5 | 0 | 0 | 0 | 110.5 | V212 Y216 P233 A236 I240 I301 S307 L308 R309 | V212-I305 HydrophobicContact CG1-CB 4.36Å; V212-I305 HydrophobicContact CG1-CG1 4.44Å; V212-I305 HydrophobicContact CG1-CG2 3.92Å; Y216-I305 WeakPolarHBondContact OH-CG2 3.18Å; Y216-I305 PolarHBondContact OH-O 2.94Å; Y216-I305 VanDerWaalsContact OH-O 3.05Å; P233-I305 HydrophobicContact CB-CG2 4.04Å; A236-I305 HydrophobicContact CB-CD1 3.88Å; A236-I305 HydrophobicContact CB-CG2 4.06Å; I240-I305 HydrophobicContact CD1-CD1 3.63Å; I240-I305 HydrophobicContact CD1-CG1 4.44Å; I301-I305 HydrophobicContact CG1-CD1 4.04Å; I301-I305 WeakPolarHBondContact O-CB 3.43Å; I301-I305 VanDerWaalsContact O-CG1 3.3Å; I301-I305 WeakPolarHBondContact O-CG1 3.49Å; I301-I305 PolarHBondContact O-N 3.31Å; I305-S307 PolarHBondContact O-N 3.48Å; I305-L308 WeakPolarHBondContact O-CB 3.38Å; I305-L308 PolarHBondContact O-N 2.8Å; I305-R309 PolarHBondContact O-N 3.35Å |
| 306 | R | 92.9 | Very high | 94.3 | Very high | 117 Ų | 117 | 24.8 Ų | 24.8 | 44% | 0.442 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.7 | -33.7 | 179.7 | -173 | 171.9 | -177.1 | 171.2 | 1.6 | 112.5 | P233 H302 Y304 R309 L370 | P233-R306 HydrophobicContact CB-CB 4.15Å; H302-R306 WeakPolarHBondContact O-CB 3.39Å; H302-R306 PolarHBondContact O-N 3.11Å; Y304-R306 PolarHBondContact O-N 3.44Å; R306-R309 WeakPolarHBondContact O-CB 3.4Å; R306-L370 HydrophobicContact CB-CD2 4.21Å; R306-L370 HydrophobicContact CG-CD2 4.16Å |
| 307 | S | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.2 | -38.6 | 175.5 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | C303 Y304 I305 R309 I310 I311 Y367 T371 | C303-S307 WeakPolarHBondContact O-CB 3.47Å; C303-S307 PolarHBondContact O-N 2.94Å; C303-S307 PolarHBondContact O-OG 3.13Å; Y304-S307 PolarHBondContact O-N 2.88Å; Y304-S307 PolarHBondContact O-OG 3.47Å; I305-S307 PolarHBondContact O-N 3.48Å; S307-R309 PolarHBondContact O-N 3.14Å; S307-R309 VanDerWaalsContact O-N 3.13Å; S307-I310 PolarHBondContact O-N 3.32Å; S307-I311 WeakPolarHBondContact O-CG2 3.37Å; S307-I311 PolarHBondContact O-N 2.84Å; S307-Y367 WeakPolarHBondContact CB-O 3.31Å; S307-T371 WeakPolarHBondContact CB-OG1 3.39Å; S307-T371 PolarHBondContact OG-OG1 3.47Å |
| 308 | L | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -13.2 | 178.3 | -79.6 | 169.9 | 0 | 0 | 0 | 114.6 | I209 V212 Y304 I305 I310 I311 C316 | I209-L308 HydrophobicContact CG2-CD2 3.99Å; V212-L308 HydrophobicContact CB-CB 4.25Å; V212-L308 HydrophobicContact CB-CD1 3.84Å; V212-L308 HydrophobicContact CG1-CB 3.54Å; V212-L308 HydrophobicContact CG1-CD1 3.77Å; V212-L308 HydrophobicContact CG1-CG 4.31Å; V212-L308 HydrophobicContact CG2-CD1 4.18Å; Y304-L308 HydrophobicContact CD1-CD1 3.68Å; Y304-L308 HydrophobicContact CE1-CD1 3.48Å; Y304-L308 VanDerWaalsContact CE1-CD1 3.48Å; Y304-L308 HydrophobicContact CE1-CG 4.39Å; Y304-L308 PolarHBondContact O-N 2.97Å; Y304-L308 VanDerWaalsContact O-N 3.17Å; I305-L308 WeakPolarHBondContact O-CB 3.38Å; I305-L308 PolarHBondContact O-N 2.8Å; L308-I310 VanDerWaalsContact C-N 3.25Å; L308-I310 PolarHBondContact O-N 3.29Å; L308-I311 HydrophobicContact CD2-CG2 4.06Å; L308-C316 HydrophobicContact CD2-CB 3.67Å; L308-C316 VanDerWaalsContact CD2-SG 3.53Å |
| 309 | R | 92 | Very high | 94.7 | Very high | 50 Ų | 50 | 22.5 Ų | 22.5 | 19% | 0.189 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -37.8 | 173.7 | -172.2 | -177.5 | 152.8 | 174.1 | -9.8 | 113.2 | Y216 Y218 E228 N231 I305 R306 S307 | Y216-R309 HydrophobicContact CD1-CB 4.32Å; Y216-R309 HydrophobicContact CD1-CG 3.68Å; Y216-R309 HydrophobicContact CD2-CB 4.07Å; Y216-R309 HydrophobicContact CD2-CG 3.99Å; Y216-R309 HydrophobicContact CE1-CB 3.96Å; Y216-R309 HydrophobicContact CE1-CG 3.75Å; Y216-R309 HydrophobicContact CE2-CB 3.68Å; Y216-R309 HydrophobicContact CE2-CG 4.04Å; Y216-R309 HydrophobicContact CG-CB 4.37Å; Y216-R309 HydrophobicContact CG-CG 3.81Å; Y218-R309 VanDerWaalsContact OH-CG 3.28Å; Y218-R309 WeakPolarHBondContact OH-CG 3.45Å; Y218-R309 PolarHBondContact OH-NE 3.44Å; E228-R309 VanDerWaalsContact CD-NH1 3.28Å; E228-R309 IonicContact OE1-CZ 2.88Å; E228-R309 VanDerWaalsContact OE1-CZ 3.29Å; E228-R309 IonicContact OE1-NH1 3.96Å; E228-R309 PolarHBondContact OE1-NH1 2.98Å; E228-R309 VanDerWaalsContact OE1-NH1 3.07Å; E228-R309 IonicContact OE1-NH2 3.51Å; E228-R309 PolarHBondContact OE1-NH2 2.97Å; E228-R309 IonicContact OE2-CZ 2.79Å; E228-R309 IonicContact OE2-NH1 3.34Å; E228-R309 PolarHBondContact OE2-NH1 2.93Å; E228-R309 IonicContact OE2-NH2 3.8Å; N231-R309 VanDerWaalsContact CG-NH1 3.35Å; N231-R309 PolarHBondContact ND2-NH1 3.47Å; I305-R309 PolarHBondContact O-N 3.35Å; R306-R309 WeakPolarHBondContact O-CB 3.4Å; S307-R309 PolarHBondContact O-N 3.14Å; S307-R309 VanDerWaalsContact O-N 3.13Å |
| 310 | I | 92.1 | Very high | 94.8 | Very high | 70 Ų | 70 | 18.9 Ų | 18.9 | 36% | 0.359 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -31.3 | -169.5 | -69.6 | 160.1 | 0 | 0 | 0 | 112.2 | S307 L308 V364 Y367 | S307-I310 PolarHBondContact O-N 3.32Å; L308-I310 VanDerWaalsContact C-N 3.25Å; L308-I310 PolarHBondContact O-N 3.29Å; I310-V364 HydrophobicContact CG2-CB 4.18Å; I310-V364 HydrophobicContact CG2-CG1 3.44Å; I310-V364 VanDerWaalsContact CG2-CG1 3.44Å; I310-Y367 HydrophobicContact CB-CD2 4.26Å; I310-Y367 HydrophobicContact CB-CG 4.41Å; I310-Y367 HydrophobicContact CD1-CD1 4.48Å; I310-Y367 HydrophobicContact CD1-CD2 3.96Å; I310-Y367 HydrophobicContact CD1-CE1 3.94Å; I310-Y367 HydrophobicContact CD1-CE2 3.35Å; I310-Y367 HydrophobicContact CD1-CG 4.5Å; I310-Y367 WeakPolarHBondContact CD1-OH 3.31Å; I310-Y367 HydrophobicContact CG1-CE2 4.5Å; I310-Y367 HydrophobicContact CG2-CD2 4.29Å |
| 311 | I | 93.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -68.3 | 145.8 | 178.8 | -163.9 | 178.2 | 0 | 0 | 0 | 110.9 | S307 L308 D315 C316 I319 K368 | S307-I311 WeakPolarHBondContact O-CG2 3.37Å; S307-I311 PolarHBondContact O-N 2.84Å; L308-I311 HydrophobicContact CD2-CG2 4.06Å; I311-D315 HydrophobicContact CD1-CB 3.9Å; I311-D315 HydrophobicContact CG1-CB 3.79Å; I311-C316 HydrophobicContact CD1-CB 4.34Å; I311-C316 HydrophobicContact CG2-CB 4.09Å; I311-I319 HydrophobicContact CD1-CD1 4.01Å; I311-K368 HydrophobicContact CD1-CB 4.38Å; I311-K368 HydrophobicContact CD1-CG 3.7Å; I311-K368 HydrophobicContact CG1-CG 4Å |
| 312 | T | 93 | Very high | 95.1 | Very high | 55 Ų | 55 | 18.4 Ų | 18.4 | 34% | 0.337 | 9% | 0.087 | S | C | . | . | trans | -68 | 146.2 | 173.4 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | I314 D315 C316 | T312-I314 PolarHBondContact O-N 3.1Å; T312-D315 PolarHBondContact O-N 2.58Å; T312-D315 WeakPolarHBondContact OG1-CB 3.43Å; T312-D315 VanDerWaalsContact OG1-CG 3.26Å; T312-D315 PolarHBondContact OG1-N 2.85Å; T312-D315 PolarHBondContact OG1-OD2 2.97Å; T312-C316 PolarHBondContact O-N 3.15Å; T312-C316 VanDerWaalsContact O-N 3.08Å | ||
| 313 | P | 93.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 6% | 0.058 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -51.7 | -38.7 | 174.3 | -34.2 | 40.3 | 0 | 0 | 0 | 114.1 | I209 E210 C316 A317 | I209-P313 HydrophobicContact CG2-CB 3.56Å; I209-P313 HydrophobicContact CG2-CG 4.3Å; E210-P313 WeakPolarHBondContact OE1-CB 3.42Å; E210-P313 WeakPolarHBondContact OE1-CG 3.15Å; P313-C316 PolarHBondContact O-N 3.24Å; P313-A317 WeakPolarHBondContact O-CB 3.07Å; P313-A317 PolarHBondContact O-N 3.34Å |
| 314 | I | 94.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | -178.6 | -62.6 | 166.1 | 0 | 0 | 0 | 111 | T312 C316 A317 A318 C475 I476 E479 L487 M489 L497 | T312-I314 PolarHBondContact O-N 3.1Å; I314-C316 VanDerWaalsContact C-N 3.35Å; I314-A317 PolarHBondContact O-N 3.4Å; I314-A318 WeakPolarHBondContact O-CB 3.35Å; I314-A318 PolarHBondContact O-N 3.04Å; I314-C475 HydrophobicContact CG1-CB 4.32Å; I314-I476 HydrophobicContact CD1-CG1 4.16Å; I314-I476 HydrophobicContact CG1-CG1 4.19Å; I314-I476 HydrophobicContact CG2-CG1 4.21Å; I314-E479 HydrophobicContact CD1-CG 4.4Å; I314-L487 HydrophobicContact CD1-CD2 3.63Å; I314-L487 HydrophobicContact CD1-CG 4.23Å; I314-M489 HydrophobicContact CD1-CE 3.55Å; I314-L497 HydrophobicContact CG2-CD1 4.27Å |
| 315 | D | 95.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 177.4 | -72.5 | -29.2 | 0 | 0 | 0 | 111.5 | I311 T312 A318 I319 N357 K368 Q493 | I311-D315 HydrophobicContact CD1-CB 3.9Å; I311-D315 HydrophobicContact CG1-CB 3.79Å; T312-D315 PolarHBondContact O-N 2.58Å; T312-D315 WeakPolarHBondContact OG1-CB 3.43Å; T312-D315 VanDerWaalsContact OG1-CG 3.26Å; T312-D315 PolarHBondContact OG1-N 2.85Å; T312-D315 PolarHBondContact OG1-OD2 2.97Å; D315-A318 WeakPolarHBondContact O-CB 3.43Å; D315-A318 PolarHBondContact O-N 3.43Å; D315-I319 WeakPolarHBondContact O-CG1 3.25Å; D315-I319 PolarHBondContact O-N 3.35Å; D315-N357 PolarHBondContact OD1-ND2 3.04Å; D315-K368 IonicContact OD1-NZ 3.67Å; D315-K368 WeakPolarHBondContact OD2-CE 3.24Å; D315-K368 IonicContact OD2-NZ 2.64Å; D315-K368 PolarHBondContact OD2-NZ 2.81Å; D315-Q493 VanDerWaalsContact CG-NE2 3.35Å; D315-Q493 PolarHBondContact OD1-NE2 2.87Å; D315-Q493 PolarHBondContact OD2-NE2 3.28Å |
| 316 | C | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.7 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | Y304 L308 I311 T312 P313 I314 A318 I319 T320 | Y304-C316 PolarHBondContact OH-SG 3.4Å; L308-C316 HydrophobicContact CD2-CB 3.67Å; L308-C316 VanDerWaalsContact CD2-SG 3.53Å; I311-C316 HydrophobicContact CD1-CB 4.34Å; I311-C316 HydrophobicContact CG2-CB 4.09Å; T312-C316 PolarHBondContact O-N 3.15Å; T312-C316 VanDerWaalsContact O-N 3.08Å; P313-C316 PolarHBondContact O-N 3.24Å; I314-C316 VanDerWaalsContact C-N 3.35Å; C316-A318 VanDerWaalsContact C-N 3.28Å; C316-A318 PolarHBondContact O-N 2.76Å; C316-I319 PolarHBondContact O-N 2.89Å; C316-T320 WeakPolarHBondContact O-CB 3.48Å; C316-T320 PolarHBondContact O-N 3.34Å; C316-T320 PolarHBondContact O-OG1 3Å |
| 317 | A | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I209 P313 I314 T320 A321 A471 L472 | I209-A317 HydrophobicContact CD1-CB 3.91Å; P313-A317 WeakPolarHBondContact O-CB 3.07Å; P313-A317 PolarHBondContact O-N 3.34Å; I314-A317 PolarHBondContact O-N 3.4Å; A317-T320 PolarHBondContact O-N 3.37Å; A317-A321 WeakPolarHBondContact O-CB 3.24Å; A317-A321 PolarHBondContact O-N 3.15Å; A317-A471 HydrophobicContact CB-CB 4.48Å; A317-L472 HydrophobicContact CB-CD2 3.88Å; A317-L472 HydrophobicContact CB-CG 4.43Å |
| 318 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.1 | -50.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I314 D315 C316 T320 A321 L472 L497 I500 | I314-A318 WeakPolarHBondContact O-CB 3.35Å; I314-A318 PolarHBondContact O-N 3.04Å; D315-A318 WeakPolarHBondContact O-CB 3.43Å; D315-A318 PolarHBondContact O-N 3.43Å; C316-A318 VanDerWaalsContact C-N 3.28Å; C316-A318 PolarHBondContact O-N 2.76Å; A318-T320 VanDerWaalsContact C-N 3.27Å; A318-T320 PolarHBondContact O-N 2.83Å; A318-A321 WeakPolarHBondContact O-CB 3.45Å; A318-A321 PolarHBondContact O-N 3.4Å; A318-L472 VanDerWaalsContact CA-CD2 3.43Å; A318-L472 HydrophobicContact CB-CD2 3.72Å; A318-L472 VanDerWaalsContact N-CD2 3.25Å; A318-L497 HydrophobicContact CB-CD2 3.43Å; A318-L497 VanDerWaalsContact CB-CD2 3.43Å; A318-I500 HydrophobicContact CB-CD1 4.03Å |
| 319 | I | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 178.1 | -64.9 | 169.8 | 0 | 0 | 0 | 109.7 | I311 D315 C316 A321 V322 K368 T371 I375 | I311-I319 HydrophobicContact CD1-CD1 4.01Å; D315-I319 WeakPolarHBondContact O-CG1 3.25Å; D315-I319 PolarHBondContact O-N 3.35Å; C316-I319 PolarHBondContact O-N 2.89Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.47Å; I319-V322 WeakPolarHBondContact O-CB 3.47Å; I319-V322 PolarHBondContact O-N 3.29Å; I319-K368 HydrophobicContact CD1-CB 4.26Å; I319-T371 HydrophobicContact CB-CG2 4.13Å; I319-T371 HydrophobicContact CD1-CG2 4.18Å; I319-T371 HydrophobicContact CG2-CG2 3.87Å; I319-I375 HydrophobicContact CG2-CG1 4.19Å |
| 320 | T | 96.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 13.7 Ų | 13.7 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68 | -30.3 | 178.3 | -48.8 | 0 | 0 | 0 | 0 | 112.9 | F205 Y304 C316 A317 A318 V322 L323 I375 | F205-T320 HydrophobicContact CE1-CG2 4.1Å; F205-T320 HydrophobicContact CE2-CG2 3.71Å; F205-T320 HydrophobicContact CZ-CG2 3.19Å; Y304-T320 WeakPolarHBondContact CE2-OG1 3.48Å; Y304-T320 PolarHBondContact OH-OG1 2.7Å; C316-T320 WeakPolarHBondContact O-CB 3.48Å; C316-T320 PolarHBondContact O-N 3.34Å; C316-T320 PolarHBondContact O-OG1 3Å; A317-T320 PolarHBondContact O-N 3.37Å; A318-T320 VanDerWaalsContact C-N 3.27Å; A318-T320 PolarHBondContact O-N 2.83Å; T320-V322 PolarHBondContact O-N 3Å; T320-L323 WeakPolarHBondContact O-CB 3.49Å; T320-L323 PolarHBondContact O-N 3.44Å; T320-I375 HydrophobicContact CG2-CD1 3.64Å |
| 321 | A | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.2 | -24.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A317 A318 I319 L323 P324 L469 L472 I500 C504 | A317-A321 WeakPolarHBondContact O-CB 3.24Å; A317-A321 PolarHBondContact O-N 3.15Å; A318-A321 WeakPolarHBondContact O-CB 3.45Å; A318-A321 PolarHBondContact O-N 3.4Å; I319-A321 VanDerWaalsContact C-N 3.32Å; I319-A321 PolarHBondContact O-N 3.47Å; A321-L323 VanDerWaalsContact C-N 3.28Å; A321-L323 PolarHBondContact O-N 2.97Å; A321-P324 WeakPolarHBondContact O-CD 3.48Å; A321-L469 HydrophobicContact CB-CD1 4.11Å; A321-L472 HydrophobicContact CB-CD1 4.14Å; A321-I500 HydrophobicContact CB-CG2 4.17Å; A321-C504 PolarHBondContact O-SG 3.45Å |
| 322 | V | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.8 | 179.8 | -166.3 | 0 | 0 | 0 | 0 | 113.4 | I319 T320 P324 C325 F326 A350 V354 I500 | I319-V322 WeakPolarHBondContact O-CB 3.47Å; I319-V322 PolarHBondContact O-N 3.29Å; T320-V322 PolarHBondContact O-N 3Å; V322-P324 VanDerWaalsContact C-CD 3.42Å; V322-P324 VanDerWaalsContact C-N 3.32Å; V322-P324 VanDerWaalsContact O-N 3.15Å; V322-C325 HydrophobicContact CG1-CB 3.91Å; V322-C325 WeakPolarHBondContact O-CA 3.48Å; V322-C325 VanDerWaalsContact O-CB 3.29Å; V322-C325 WeakPolarHBondContact O-CB 3.23Å; V322-C325 PolarHBondContact O-N 3.07Å; V322-F326 HydrophobicContact CB-CD2 4.31Å; V322-F326 HydrophobicContact CB-CE2 4.15Å; V322-F326 HydrophobicContact CG1-CD2 3.84Å; V322-F326 HydrophobicContact CG1-CE2 3.64Å; V322-F326 PolarHBondContact O-N 3.14Å; V322-A350 HydrophobicContact CB-CB 4.41Å; V322-A350 HydrophobicContact CG1-CB 3.32Å; V322-A350 HydrophobicContact CG2-CB 4.27Å; V322-V354 HydrophobicContact CB-CG2 4.35Å; V322-V354 HydrophobicContact CG2-CG2 3.62Å; V322-I500 HydrophobicContact CG2-CG1 4.27Å; V322-I500 HydrophobicContact CG2-CG2 3.9Å |
| 323 | L | 97.2 | Very high | 95.8 | Very high | 9 Ų | 9 | 17 Ų | 17 | 5% | 0.047 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -43.8 | -47.8 | 177.8 | 170.5 | 64.7 | 0 | 0 | 0 | 113.5 | T320 A321 C325 F326 L327 I375 F378 S379 | T320-L323 WeakPolarHBondContact O-CB 3.49Å; T320-L323 PolarHBondContact O-N 3.44Å; A321-L323 VanDerWaalsContact C-N 3.28Å; A321-L323 PolarHBondContact O-N 2.97Å; L323-C325 PolarHBondContact O-N 3.19Å; L323-F326 PolarHBondContact O-N 2.7Å; L323-L327 HydrophobicContact CD1-CD1 3.92Å; L323-L327 HydrophobicContact CD1-CD2 4.44Å; L323-L327 HydrophobicContact CD1-CG 3.87Å; L323-L327 HydrophobicContact CG-CD1 3.85Å; L323-L327 HydrophobicContact CG-CG 4.27Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.14Å; L323-I375 HydrophobicContact CB-CG2 4.06Å; L323-I375 HydrophobicContact CD1-CG2 4.31Å; L323-F378 HydrophobicContact CD1-CD1 3.69Å; L323-F378 HydrophobicContact CD1-CE1 4.31Å; L323-F378 HydrophobicContact CD2-CD1 3.85Å; L323-F378 HydrophobicContact CD2-CE1 3.74Å; L323-F378 HydrophobicContact CG-CD1 4.43Å; L323-S379 WeakPolarHBondContact CD1-OG 3.32Å |
| 324 | P | 95.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 18.5 Ų | 18.5 | 11% | 0.11 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -24.1 | 179.3 | -22.5 | 37.2 | 0 | 0 | 0 | 114.5 | A321 V322 Y328 A465 P468 N507 | A321-P324 WeakPolarHBondContact O-CD 3.48Å; V322-P324 VanDerWaalsContact C-CD 3.42Å; V322-P324 VanDerWaalsContact C-N 3.32Å; V322-P324 VanDerWaalsContact O-N 3.15Å; P324-Y328 WeakPolarHBondContact O-CB 3.37Å; P324-Y328 PolarHBondContact O-N 3.16Å; P324-A465 HydrophobicContact CB-CB 4.25Å; P324-P468 HydrophobicContact CG-CG 3.87Å; P324-N507 PolarHBondContact O-ND2 3.18Å; P324-N507 VanDerWaalsContact O-ND2 3.11Å |
| 325 | C | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.3 | -48.3 | 175.9 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | V322 L323 Y328 L329 F347 A350 N507 | V322-C325 HydrophobicContact CG1-CB 3.91Å; V322-C325 WeakPolarHBondContact O-CA 3.48Å; V322-C325 VanDerWaalsContact O-CB 3.29Å; V322-C325 WeakPolarHBondContact O-CB 3.23Å; V322-C325 PolarHBondContact O-N 3.07Å; L323-C325 PolarHBondContact O-N 3.19Å; C325-Y328 PolarHBondContact O-N 3.44Å; C325-L329 PolarHBondContact O-N 3.42Å; C325-F347 HydrophobicContact CB-CD2 4.38Å; C325-A350 HydrophobicContact CB-CB 4.38Å; C325-N507 PolarHBondContact N-ND2 2.84Å |
| 326 | F | 96.9 | Very high | 95.2 | Very high | 20 Ų | 20 | 28 Ų | 28 | 9% | 0.088 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.3 | -74.8 | -73 | 0 | 0 | 0 | 111.9 | V322 L323 Y328 L329 L330 F347 I375 I376 S379 | V322-F326 HydrophobicContact CB-CD2 4.31Å; V322-F326 HydrophobicContact CB-CE2 4.15Å; V322-F326 HydrophobicContact CG1-CD2 3.84Å; V322-F326 HydrophobicContact CG1-CE2 3.64Å; V322-F326 PolarHBondContact O-N 3.14Å; L323-F326 PolarHBondContact O-N 2.7Å; F326-Y328 VanDerWaalsContact C-N 3.26Å; F326-Y328 PolarHBondContact O-N 3.37Å; F326-L329 PolarHBondContact O-N 3.2Å; F326-L330 WeakPolarHBondContact O-CB 3.41Å; F326-L330 WeakPolarHBondContact O-CG 3.28Å; F326-L330 PolarHBondContact O-N 3.24Å; F326-F347 HydrophobicContact CD1-CD2 4.45Å; F326-F347 AromaticContact CD1-CE2 3.63Å; F326-F347 HydrophobicContact CD1-CE2 3.63Å; F326-F347 AromaticContact CE1-CE2 3.51Å; F326-F347 HydrophobicContact CE1-CE2 3.51Å; F326-F347 HydrophobicContact CE1-CZ 4.15Å; F326-F347 HydrophobicContact CG-CE2 4.37Å; F326-F347 HydrophobicContact CZ-CE2 4.18Å; F326-I375 HydrophobicContact CD2-CG2 4.21Å; F326-I376 HydrophobicContact CD1-CG1 3.81Å; F326-I376 HydrophobicContact CE1-CD1 3.84Å; F326-I376 HydrophobicContact CE1-CG1 3.54Å; F326-I376 HydrophobicContact CE2-CG1 4.31Å; F326-I376 HydrophobicContact CG-CG1 4.31Å; F326-I376 HydrophobicContact CZ-CD1 4.08Å; F326-I376 HydrophobicContact CZ-CG1 3.82Å; F326-S379 VanDerWaalsContact CB-OG 3.3Å; F326-S379 WeakPolarHBondContact CB-OG 3.33Å |
| 327 | L | 95.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.1 | -41.4 | 175.1 | -76.8 | 174.9 | 0 | 0 | 0 | 112.4 | L323 C331 I382 V383 | L323-L327 HydrophobicContact CD1-CD1 3.92Å; L323-L327 HydrophobicContact CD1-CD2 4.44Å; L323-L327 HydrophobicContact CD1-CG 3.87Å; L323-L327 HydrophobicContact CG-CD1 3.85Å; L323-L327 HydrophobicContact CG-CG 4.27Å; L323-L327 WeakPolarHBondContact O-CB 3.42Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.35Å; L323-L327 PolarHBondContact O-N 3.14Å; L327-C331 WeakPolarHBondContact O-CB 3.42Å; L327-C331 PolarHBondContact O-N 3.09Å; L327-C331 PolarHBondContact O-SG 3.2Å; L327-I382 HydrophobicContact CD1-CD1 4.29Å; L327-I382 HydrophobicContact CD2-CB 3.65Å; L327-I382 HydrophobicContact CD2-CD1 4.01Å; L327-I382 HydrophobicContact CD2-CG1 4.41Å; L327-I382 HydrophobicContact CD2-CG2 3.59Å; L327-V383 HydrophobicContact CD2-CG2 4.12Å |
| 328 | Y | 94.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -46.4 | 178 | 172 | -99.6 | 0 | 0 | 0 | 111.8 | P324 C325 F326 C331 W332 C340 R343 | P324-Y328 WeakPolarHBondContact O-CB 3.37Å; P324-Y328 PolarHBondContact O-N 3.16Å; C325-Y328 PolarHBondContact O-N 3.44Å; F326-Y328 VanDerWaalsContact C-N 3.26Å; F326-Y328 PolarHBondContact O-N 3.37Å; Y328-C331 PolarHBondContact O-N 3.41Å; Y328-W332 WeakPolarHBondContact O-CB 3.32Å; Y328-W332 PolarHBondContact O-N 3.35Å; Y328-C340 WeakPolarHBondContact OH-CA 3.41Å; Y328-C340 VanDerWaalsContact OH-CB 3.29Å; Y328-C340 WeakPolarHBondContact OH-CB 3.2Å; Y328-C340 PolarHBondContact OH-N 3.37Å; Y328-C340 PolarHBondContact OH-O 3.3Å; Y328-R343 HydrophobicContact CD1-CB 3.53Å; Y328-R343 HydrophobicContact CD1-CG 4.45Å; Y328-R343 HydrophobicContact CE1-CB 3.24Å; Y328-R343 HydrophobicContact CE1-CG 4.23Å; Y328-R343 HydrophobicContact CE2-CB 4.38Å; Y328-R343 HydrophobicContact CG-CB 4.22Å |
| 329 | L | 95.4 | Very high | 93.9 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 178.7 | 179.4 | 141.8 | 0 | 0 | 0 | 111.5 | C325 F326 W332 I333 F347 | C325-L329 PolarHBondContact O-N 3.42Å; F326-L329 PolarHBondContact O-N 3.2Å; L329-W332 WeakPolarHBondContact O-CB 3.39Å; L329-W332 PolarHBondContact O-N 3.22Å; L329-W332 VanDerWaalsContact O-N 3.13Å; L329-I333 HydrophobicContact CD2-CD1 3.51Å; L329-I333 HydrophobicContact CG-CD1 4.09Å; L329-I333 WeakPolarHBondContact O-CG1 3.31Å; L329-I333 PolarHBondContact O-N 3.44Å; L329-F347 HydrophobicContact CB-CD2 4.37Å; L329-F347 HydrophobicContact CD1-CD1 3.41Å; L329-F347 VanDerWaalsContact CD1-CD1 3.41Å; L329-F347 HydrophobicContact CD1-CD2 3.9Å; L329-F347 HydrophobicContact CD1-CE1 3.38Å; L329-F347 HydrophobicContact CD1-CE2 3.86Å; L329-F347 HydrophobicContact CD1-CG 3.69Å; L329-F347 HydrophobicContact CD1-CZ 3.61Å |
| 330 | L | 95.7 | Very high | 93.5 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -36.3 | 179.4 | -69.6 | 171.2 | 0 | 0 | 0 | 112.5 | F326 W332 I333 I334 L380 V383 | F326-L330 WeakPolarHBondContact O-CB 3.41Å; F326-L330 WeakPolarHBondContact O-CG 3.28Å; F326-L330 PolarHBondContact O-N 3.24Å; L330-W332 PolarHBondContact O-N 3.18Å; L330-I333 PolarHBondContact O-N 3.39Å; L330-I334 HydrophobicContact CD2-CD1 4.43Å; L330-I334 WeakPolarHBondContact O-CB 3.43Å; L330-I334 PolarHBondContact O-N 3.12Å; L330-L380 HydrophobicContact CD1-CB 4.44Å; L330-L380 HydrophobicContact CD1-CD2 3.64Å; L330-L380 HydrophobicContact CD1-CG 3.69Å; L330-L380 HydrophobicContact CD2-CD2 3.53Å; L330-L380 HydrophobicContact CD2-CG 4.37Å; L330-L380 HydrophobicContact CG-CD2 4.15Å; L330-V383 HydrophobicContact CB-CB 4.37Å; L330-V383 HydrophobicContact CB-CG1 4.36Å; L330-V383 HydrophobicContact CB-CG2 3.69Å |
| 331 | C | 93.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -32.3 | 170.1 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | L327 Y328 V335 H336 R337 | L327-C331 WeakPolarHBondContact O-CB 3.42Å; L327-C331 PolarHBondContact O-N 3.09Å; L327-C331 PolarHBondContact O-SG 3.2Å; Y328-C331 PolarHBondContact O-N 3.41Å; C331-V335 CarbonylContact O-C 3.6Å; C331-V335 WeakPolarHBondContact O-CA 3.2Å; C331-V335 WeakPolarHBondContact O-CB 3.19Å; C331-V335 PolarHBondContact O-N 3.22Å; C331-H336 PolarHBondContact O-N 2.97Å; C331-R337 HydrophobicContact CB-CG 4.5Å; C331-R337 PolarHBondContact O-N 2.86Å |
| 332 | W | 93.4 | Very high | 92.9 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 34% | 0.341 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.9 | -45 | 175.3 | 170 | 51.2 | 0 | 0 | 0 | 111.3 | Y328 L329 L330 H336 F339 | Y328-W332 WeakPolarHBondContact O-CB 3.32Å; Y328-W332 PolarHBondContact O-N 3.35Å; L329-W332 WeakPolarHBondContact O-CB 3.39Å; L329-W332 PolarHBondContact O-N 3.22Å; L329-W332 VanDerWaalsContact O-N 3.13Å; L330-W332 PolarHBondContact O-N 3.18Å; W332-H336 VanDerWaalsContact O-CA 3.23Å; W332-H336 WeakPolarHBondContact O-CA 3.29Å; W332-H336 PolarHBondContact O-N 2.93Å; W332-F339 AromaticContact CE2-CD2 3.8Å; W332-F339 HydrophobicContact CH2-CE2 4.42Å; W332-F339 AromaticContact CZ2-CD2 3.82Å; W332-F339 HydrophobicContact CZ2-CD2 3.82Å; W332-F339 HydrophobicContact CZ2-CE2 4.06Å; W332-F339 AromaticContact NE1-CD2 3.89Å |
| 333 | I | 94.1 | Very high | 92.7 | Very high | 87 Ų | 87 | 59.1 Ų | 59.1 | 45% | 0.446 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.7 | -50.7 | -179.3 | -65 | 170.1 | 0 | 0 | 0 | 112.1 | L329 L330 H336 | L329-I333 HydrophobicContact CD2-CD1 3.51Å; L329-I333 HydrophobicContact CG-CD1 4.09Å; L329-I333 WeakPolarHBondContact O-CG1 3.31Å; L329-I333 PolarHBondContact O-N 3.44Å; L330-I333 PolarHBondContact O-N 3.39Å; I333-H336 PolarHBondContact O-CE1 3.1Å; I333-H336 VanDerWaalsContact O-CE1 3.25Å |
| 334 | I | 93 | Very high | 92.6 | Very high | 39 Ų | 39 | 60.5 Ų | 60.5 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -87.3 | -36.9 | -169.2 | -62.6 | 172.4 | 0 | 0 | 0 | 112.4 | L330 L380 V383 | L330-I334 HydrophobicContact CD2-CD1 4.43Å; L330-I334 WeakPolarHBondContact O-CB 3.43Å; L330-I334 PolarHBondContact O-N 3.12Å; I334-L380 HydrophobicContact CD1-CD2 3.98Å; I334-V383 HydrophobicContact CB-CG1 3.89Å; I334-V383 HydrophobicContact CD1-CG1 3.86Å; I334-V383 HydrophobicContact CG1-CG1 4.4Å; I334-V383 HydrophobicContact CG2-CG1 4.11Å |
| 335 | V | 90.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -104.2 | 0.2 | -174.9 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | C331 R337 V383 R387 | C331-V335 CarbonylContact O-C 3.6Å; C331-V335 WeakPolarHBondContact O-CA 3.2Å; C331-V335 WeakPolarHBondContact O-CB 3.19Å; C331-V335 PolarHBondContact O-N 3.22Å; V335-R337 HydrophobicContact CB-CG 4.26Å; V335-R337 HydrophobicContact CG1-CG 4.08Å; V335-R337 PolarHBondContact O-N 3.47Å; V335-R337 VanDerWaalsContact O-N 3.13Å; V335-V383 HydrophobicContact CG2-CG1 4.1Å; V335-R387 HydrophobicContact CG2-CB 4.49Å |
| 336 | H | 89.5 | Confident | 92.6 | Very high | 160 Ų | 160 | 63.9 Ų | 63.9 | 74% | 0.741 | 30% | 0.301 | S | S | * | . | trans | 49 | 40.4 | 179.8 | -60 | -63.9 | 0 | 0 | 0 | 113.5 | C331 W332 I333 | C331-H336 PolarHBondContact O-N 2.97Å; W332-H336 VanDerWaalsContact O-CA 3.23Å; W332-H336 WeakPolarHBondContact O-CA 3.29Å; W332-H336 PolarHBondContact O-N 2.93Å; I333-H336 PolarHBondContact O-CE1 3.1Å; I333-H336 VanDerWaalsContact O-CE1 3.25Å | ||
| 337 | R | 86.5 | Confident | 92.6 | Very high | 169 Ų | 169 | 64.8 Ų | 64.8 | 64% | 0.638 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 159.7 | 175.6 | -70.4 | -70 | -170.9 | 172 | -2 | 111.1 | C331 V335 F339 | C331-R337 HydrophobicContact CB-CG 4.5Å; C331-R337 PolarHBondContact O-N 2.86Å; V335-R337 HydrophobicContact CB-CG 4.26Å; V335-R337 HydrophobicContact CG1-CG 4.08Å; V335-R337 PolarHBondContact O-N 3.47Å; V335-R337 VanDerWaalsContact O-N 3.13Å; R337-F339 PolarHBondContact O-N 2.84Å |
| 338 | R | 87.4 | Confident | 92.7 | Very high | 227 Ų | 227 | 68.3 Ų | 68.3 | 86% | 0.857 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 129.1 | -179.6 | -69.8 | -175 | 179.9 | 157.6 | -0 | 112.6 | ||
| 339 | F | 87.8 | Confident | 92.8 | Very high | 121 Ų | 121 | 70 Ų | 70 | 53% | 0.531 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 137.5 | 172.9 | -178.3 | -102.8 | 0 | 0 | 0 | 111.3 | W332 R337 A341 V344 | W332-F339 AromaticContact CE2-CD2 3.8Å; W332-F339 HydrophobicContact CH2-CE2 4.42Å; W332-F339 AromaticContact CZ2-CD2 3.82Å; W332-F339 HydrophobicContact CZ2-CD2 3.82Å; W332-F339 HydrophobicContact CZ2-CE2 4.06Å; W332-F339 AromaticContact NE1-CD2 3.89Å; R337-F339 PolarHBondContact O-N 2.84Å; F339-A341 HydrophobicContact CE1-CB 3.85Å; F339-A341 HydrophobicContact CZ-CB 4.14Å; F339-V344 HydrophobicContact CD2-CG2 4.44Å; F339-V344 HydrophobicContact CE2-CG2 3.74Å; F339-V344 HydrophobicContact CZ-CG2 4.33Å |
| 340 | C | 88.6 | Confident | 93 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | trans | -140.9 | 103.1 | 174 | -62.1 | 0 | 0 | 0 | 0 | 107.7 | Y328 L342 R343 | Y328-C340 WeakPolarHBondContact OH-CA 3.41Å; Y328-C340 VanDerWaalsContact OH-CB 3.29Å; Y328-C340 WeakPolarHBondContact OH-CB 3.2Å; Y328-C340 PolarHBondContact OH-N 3.37Å; Y328-C340 PolarHBondContact OH-O 3.3Å; C340-L342 VanDerWaalsContact C-N 3.32Å; C340-L342 PolarHBondContact O-N 3.4Å; C340-R343 HydrophobicContact CB-CG 4.29Å; C340-R343 PolarHBondContact O-N 3.28Å; C340-R343 PolarHBondContact SG-NH1 3.5Å | ||
| 341 | A | 89.5 | Confident | 93 | Very high | 52 Ų | 52 | 69 Ų | 69 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54 | -43.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F339 R343 V344 I345 | F339-A341 HydrophobicContact CE1-CB 3.85Å; F339-A341 HydrophobicContact CZ-CB 4.14Å; A341-R343 PolarHBondContact O-N 2.94Å; A341-R343 VanDerWaalsContact O-N 3.08Å; A341-V344 WeakPolarHBondContact O-CB 3.32Å; A341-V344 PolarHBondContact O-N 2.89Å; A341-I345 PolarHBondContact O-N 3.36Å |
| 342 | L | 91.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 70.4 Ų | 70.4 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.6 | -29 | 179 | -77 | 169.8 | 0 | 0 | 0 | 113.8 | C340 I345 A346 L506 Q514 | C340-L342 VanDerWaalsContact C-N 3.32Å; C340-L342 PolarHBondContact O-N 3.4Å; L342-I345 HydrophobicContact CD2-CD1 4.46Å; L342-A346 PolarHBondContact O-N 3.32Å; L342-L506 HydrophobicContact CD2-CD1 4.5Å; L342-Q514 HydrophobicContact CD1-CB 4.14Å; L342-Q514 HydrophobicContact CD1-CG 3.57Å |
| 343 | R | 93.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -82.1 | -26.3 | 177.5 | -65.8 | -170.5 | -175 | 122.5 | 5.1 | 113.3 | Y328 C340 A341 I345 A346 F347 R461 N507 | Y328-R343 HydrophobicContact CD1-CB 3.53Å; Y328-R343 HydrophobicContact CD1-CG 4.45Å; Y328-R343 HydrophobicContact CE1-CB 3.24Å; Y328-R343 HydrophobicContact CE1-CG 4.23Å; Y328-R343 HydrophobicContact CE2-CB 4.38Å; Y328-R343 HydrophobicContact CG-CB 4.22Å; C340-R343 HydrophobicContact CB-CG 4.29Å; C340-R343 PolarHBondContact O-N 3.28Å; C340-R343 PolarHBondContact SG-NH1 3.5Å; A341-R343 PolarHBondContact O-N 2.94Å; A341-R343 VanDerWaalsContact O-N 3.08Å; R343-I345 VanDerWaalsContact C-N 3.34Å; R343-A346 PolarHBondContact O-N 3.45Å; R343-F347 PolarHBondContact O-N 2.91Å; R343-R461 VanDerWaalsContact CD-NH2 3.32Å; R343-R461 VanDerWaalsContact CZ-NH2 3.25Å; R343-N507 WeakPolarHBondContact CD-OD1 3.43Å |
| 344 | V | 94.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 62.2 Ų | 62.2 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 170 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | F339 A341 A346 F347 I348 | F339-V344 HydrophobicContact CD2-CG2 4.44Å; F339-V344 HydrophobicContact CE2-CG2 3.74Å; F339-V344 HydrophobicContact CZ-CG2 4.33Å; A341-V344 WeakPolarHBondContact O-CB 3.32Å; A341-V344 PolarHBondContact O-N 2.89Å; V344-A346 VanDerWaalsContact C-N 3.34Å; V344-A346 PolarHBondContact O-N 3.13Å; V344-F347 WeakPolarHBondContact O-CB 3.45Å; V344-F347 PolarHBondContact O-N 3.14Å; V344-I348 HydrophobicContact CG1-CD1 4.34Å; V344-I348 WeakPolarHBondContact O-CG1 3.23Å; V344-I348 PolarHBondContact O-N 3.08Å |
| 345 | I | 95.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 46% | 0.456 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 172.1 | -61.5 | 167.9 | 0 | 0 | 0 | 110.6 | A341 L342 R343 F347 I348 M349 L506 | A341-I345 PolarHBondContact O-N 3.36Å; L342-I345 HydrophobicContact CD2-CD1 4.46Å; R343-I345 VanDerWaalsContact C-N 3.34Å; I345-F347 VanDerWaalsContact C-N 3.31Å; I345-F347 PolarHBondContact O-N 3.26Å; I345-I348 PolarHBondContact O-N 2.88Å; I345-M349 WeakPolarHBondContact O-CB 3.49Å; I345-M349 PolarHBondContact O-N 3.38Å; I345-L506 HydrophobicContact CB-CD2 4.46Å; I345-L506 HydrophobicContact CG2-CD2 4.02Å |
| 346 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L342 R343 V344 M349 A350 A503 L506 N507 | L342-A346 PolarHBondContact O-N 3.32Å; R343-A346 PolarHBondContact O-N 3.45Å; V344-A346 VanDerWaalsContact C-N 3.34Å; V344-A346 PolarHBondContact O-N 3.13Å; A346-M349 PolarHBondContact O-N 3.4Å; A346-A350 WeakPolarHBondContact O-CB 3.35Å; A346-A350 PolarHBondContact O-N 3.21Å; A346-A503 WeakPolarHBondContact O-CB 3.5Å; A346-L506 HydrophobicContact CB-CB 3.88Å; A346-L506 HydrophobicContact CB-CD2 4.01Å; A346-L506 HydrophobicContact CB-CG 3.94Å; A346-N507 HydrophobicContact CB-CB 3.88Å |
| 347 | F | 97.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 175.1 | 168.3 | -98.1 | 0 | 0 | 0 | 112.3 | C325 F326 L329 R343 V344 I345 M349 A350 S351 | C325-F347 HydrophobicContact CB-CD2 4.38Å; F326-F347 HydrophobicContact CD1-CD2 4.45Å; F326-F347 AromaticContact CD1-CE2 3.63Å; F326-F347 HydrophobicContact CD1-CE2 3.63Å; F326-F347 AromaticContact CE1-CE2 3.51Å; F326-F347 HydrophobicContact CE1-CE2 3.51Å; F326-F347 HydrophobicContact CE1-CZ 4.15Å; F326-F347 HydrophobicContact CG-CE2 4.37Å; F326-F347 HydrophobicContact CZ-CE2 4.18Å; L329-F347 HydrophobicContact CB-CD2 4.37Å; L329-F347 HydrophobicContact CD1-CD1 3.41Å; L329-F347 VanDerWaalsContact CD1-CD1 3.41Å; L329-F347 HydrophobicContact CD1-CD2 3.9Å; L329-F347 HydrophobicContact CD1-CE1 3.38Å; L329-F347 HydrophobicContact CD1-CE2 3.86Å; L329-F347 HydrophobicContact CD1-CG 3.69Å; L329-F347 HydrophobicContact CD1-CZ 3.61Å; R343-F347 PolarHBondContact O-N 2.91Å; V344-F347 WeakPolarHBondContact O-CB 3.45Å; V344-F347 PolarHBondContact O-N 3.14Å; I345-F347 VanDerWaalsContact C-N 3.31Å; I345-F347 PolarHBondContact O-N 3.26Å; F347-M349 VanDerWaalsContact C-N 3.34Å; F347-M349 PolarHBondContact O-N 3.24Å; F347-A350 PolarHBondContact O-N 3.14Å; F347-S351 PolarHBondContact O-N 3.05Å; F347-S351 PolarHBondContact O-OG 3.31Å |
| 348 | I | 97.6 | Very high | 95 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 177.8 | -66 | 165 | 0 | 0 | 0 | 109.6 | V344 I345 A350 S351 S352 | V344-I348 HydrophobicContact CG1-CD1 4.34Å; V344-I348 WeakPolarHBondContact O-CG1 3.23Å; V344-I348 PolarHBondContact O-N 3.08Å; I345-I348 PolarHBondContact O-N 2.88Å; I348-A350 VanDerWaalsContact C-N 3.31Å; I348-A350 PolarHBondContact O-N 3.45Å; I348-S351 PolarHBondContact O-N 3.29Å; I348-S351 VanDerWaalsContact O-N 3.16Å; I348-S351 PolarHBondContact O-OG 3.08Å; I348-S352 PolarHBondContact O-N 3.47Å; I348-S352 PolarHBondContact O-OG 2.97Å; I348-S352 VanDerWaalsContact O-OG 3.08Å |
| 349 | M | 97.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 178.8 | -166.6 | 163.6 | 72.8 | 0 | 0 | 112.5 | I345 A346 F347 S352 G353 L499 M502 A503 L506 | I345-M349 WeakPolarHBondContact O-CB 3.49Å; I345-M349 PolarHBondContact O-N 3.38Å; A346-M349 PolarHBondContact O-N 3.4Å; F347-M349 VanDerWaalsContact C-N 3.34Å; F347-M349 PolarHBondContact O-N 3.24Å; M349-S352 PolarHBondContact O-N 3.36Å; M349-G353 PolarHBondContact O-N 3.05Å; M349-L499 HydrophobicContact CG-CD2 4.31Å; M349-M502 HydrophobicContact CE-CB 3.75Å; M349-M502 WeakPolarHBondContact CE-O 3.28Å; M349-A503 HydrophobicContact CB-CB 4Å; M349-A503 HydrophobicContact CE-CB 3.75Å; M349-A503 VanDerWaalsContact CE-N 3.25Å; M349-A503 HydrophobicContact CG-CB 4.14Å; M349-L506 HydrophobicContact CE-CB 4.39Å; M349-L506 HydrophobicContact CE-CD2 4.2Å |
| 350 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V322 C325 A346 F347 I348 G353 V354 A503 | V322-A350 HydrophobicContact CB-CB 4.41Å; V322-A350 HydrophobicContact CG1-CB 3.32Å; V322-A350 HydrophobicContact CG2-CB 4.27Å; C325-A350 HydrophobicContact CB-CB 4.38Å; A346-A350 WeakPolarHBondContact O-CB 3.35Å; A346-A350 PolarHBondContact O-N 3.21Å; F347-A350 PolarHBondContact O-N 3.14Å; I348-A350 VanDerWaalsContact C-N 3.31Å; I348-A350 PolarHBondContact O-N 3.45Å; A350-G353 PolarHBondContact O-N 2.99Å; A350-V354 WeakPolarHBondContact O-CG2 3.09Å; A350-V354 PolarHBondContact O-N 3.29Å; A350-A503 HydrophobicContact CB-CB 3.59Å |
| 351 | S | 97.6 | Very high | 96 | Very high | 31 Ų | 31 | 44 Ų | 44 | 22% | 0.217 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.5 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | F347 I348 G353 V354 I355 | F347-S351 PolarHBondContact O-N 3.05Å; F347-S351 PolarHBondContact O-OG 3.31Å; I348-S351 PolarHBondContact O-N 3.29Å; I348-S351 VanDerWaalsContact O-N 3.16Å; I348-S351 PolarHBondContact O-OG 3.08Å; S351-G353 VanDerWaalsContact C-N 3.32Å; S351-G353 PolarHBondContact O-N 3.4Å; S351-V354 PolarHBondContact O-N 2.84Å; S351-I355 WeakPolarHBondContact O-CB 3.47Å; S351-I355 WeakPolarHBondContact O-CD1 3.2Å; S351-I355 WeakPolarHBondContact O-CG1 3.35Å; S351-I355 PolarHBondContact O-N 3.47Å |
| 352 | S | 97.7 | Very high | 96.1 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 37% | 0.371 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 172.8 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | I348 M349 I355 L356 | I348-S352 PolarHBondContact O-N 3.47Å; I348-S352 PolarHBondContact O-OG 2.97Å; I348-S352 VanDerWaalsContact O-OG 3.08Å; M349-S352 PolarHBondContact O-N 3.36Å; S352-I355 PolarHBondContact O-N 2.85Å; S352-L356 WeakPolarHBondContact O-CG 3.48Å; S352-L356 PolarHBondContact O-N 3.02Å |
| 353 | G | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | M349 A350 S351 I355 L356 N357 S496 | M349-G353 PolarHBondContact O-N 3.05Å; A350-G353 PolarHBondContact O-N 2.99Å; S351-G353 VanDerWaalsContact C-N 3.32Å; S351-G353 PolarHBondContact O-N 3.4Å; G353-I355 PolarHBondContact O-N 3.33Å; G353-L356 PolarHBondContact O-N 3.44Å; G353-N357 PolarHBondContact O-N 3.5Å; G353-S496 WeakPolarHBondContact O-CB 3.11Å |
| 354 | V | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | V322 A350 S351 N357 I358 I500 | V322-V354 HydrophobicContact CB-CG2 4.35Å; V322-V354 HydrophobicContact CG2-CG2 3.62Å; A350-V354 WeakPolarHBondContact O-CG2 3.09Å; A350-V354 PolarHBondContact O-N 3.29Å; S351-V354 PolarHBondContact O-N 2.84Å; V354-N357 WeakPolarHBondContact O-CB 3.22Å; V354-N357 PolarHBondContact O-N 2.99Å; V354-I358 HydrophobicContact CG1-CD1 3.81Å; V354-I358 HydrophobicContact CG1-CG1 4.38Å; V354-I358 VanDerWaalsContact O-CG1 3.3Å; V354-I358 WeakPolarHBondContact O-CG1 3.25Å; V354-I358 PolarHBondContact O-N 3.34Å; V354-I500 HydrophobicContact CG2-CD1 4.29Å |
| 355 | I | 97.5 | Very high | 96.2 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 45% | 0.451 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.7 | -69.2 | 162.1 | 0 | 0 | 0 | 110.2 | S351 S352 G353 N357 I358 Y359 | S351-I355 WeakPolarHBondContact O-CB 3.47Å; S351-I355 WeakPolarHBondContact O-CD1 3.2Å; S351-I355 WeakPolarHBondContact O-CG1 3.35Å; S351-I355 PolarHBondContact O-N 3.47Å; S352-I355 PolarHBondContact O-N 2.85Å; G353-I355 PolarHBondContact O-N 3.33Å; I355-N357 VanDerWaalsContact C-N 3.28Å; I355-N357 PolarHBondContact O-N 3.36Å; I355-I358 PolarHBondContact O-N 3.48Å; I355-Y359 HydrophobicContact CG2-CD2 3.75Å; I355-Y359 HydrophobicContact CG2-CE2 3.81Å; I355-Y359 VanDerWaalsContact O-CD2 3.23Å; I355-Y359 WeakPolarHBondContact O-CD2 3.45Å; I355-Y359 PolarHBondContact O-N 3.4Å |
| 356 | L | 97.4 | Very high | 96.2 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 176 | -72.7 | 168.9 | 0 | 0 | 0 | 112.5 | S352 G353 Y359 S360 V492 L499 | S352-L356 WeakPolarHBondContact O-CG 3.48Å; S352-L356 PolarHBondContact O-N 3.02Å; G353-L356 PolarHBondContact O-N 3.44Å; L356-Y359 PolarHBondContact O-N 3.33Å; L356-S360 PolarHBondContact O-N 3.46Å; L356-S360 VanDerWaalsContact O-N 3.1Å; L356-V492 HydrophobicContact CD2-CG1 4.42Å; L356-L499 HydrophobicContact CD1-CD1 3.36Å |
| 357 | N | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 175.9 | -170 | -86.9 | 0 | 0 | 0 | 112.2 | D315 G353 V354 I355 Y359 S360 K368 S496 | D315-N357 PolarHBondContact OD1-ND2 3.04Å; G353-N357 PolarHBondContact O-N 3.5Å; V354-N357 WeakPolarHBondContact O-CB 3.22Å; V354-N357 PolarHBondContact O-N 2.99Å; I355-N357 VanDerWaalsContact C-N 3.28Å; I355-N357 PolarHBondContact O-N 3.36Å; N357-Y359 VanDerWaalsContact C-N 3.32Å; N357-Y359 PolarHBondContact O-N 3.38Å; N357-S360 PolarHBondContact O-N 3.24Å; N357-S360 PolarHBondContact O-OG 2.98Å; N357-K368 WeakPolarHBondContact O-CD 3.24Å; N357-K368 PolarHBondContact O-NZ 2.97Å; N357-S496 WeakPolarHBondContact CB-OG 3.4Å; N357-S496 PolarHBondContact ND2-OG 3.04Å |
| 358 | I | 96.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 62.2 Ų | 62.2 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 175.5 | -71.5 | 164.8 | 0 | 0 | 0 | 110.8 | V354 I355 S360 M365 K368 | V354-I358 HydrophobicContact CG1-CD1 3.81Å; V354-I358 HydrophobicContact CG1-CG1 4.38Å; V354-I358 VanDerWaalsContact O-CG1 3.3Å; V354-I358 WeakPolarHBondContact O-CG1 3.25Å; V354-I358 PolarHBondContact O-N 3.34Å; I355-I358 PolarHBondContact O-N 3.48Å; I358-S360 VanDerWaalsContact C-N 3.34Å; I358-M365 HydrophobicContact CG2-CG 3.56Å; I358-K368 HydrophobicContact CB-CB 4.3Å; I358-K368 HydrophobicContact CG1-CB 3.74Å |
| 359 | Y | 96 | Very high | 96.1 | Very high | 151 Ų | 151 | 60 Ų | 60 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -83 | -3.9 | -178.8 | -77 | -71.5 | 0 | 0 | 0 | 114.7 | I355 L356 N357 D361 M365 | I355-Y359 HydrophobicContact CG2-CD2 3.75Å; I355-Y359 HydrophobicContact CG2-CE2 3.81Å; I355-Y359 VanDerWaalsContact O-CD2 3.23Å; I355-Y359 WeakPolarHBondContact O-CD2 3.45Å; I355-Y359 PolarHBondContact O-N 3.4Å; L356-Y359 PolarHBondContact O-N 3.33Å; N357-Y359 VanDerWaalsContact C-N 3.32Å; N357-Y359 PolarHBondContact O-N 3.38Å; Y359-D361 PolarHBondContact O-N 2.96Å; Y359-M365 HydrophobicContact CD1-SD 4.23Å; Y359-M365 HydrophobicContact CE1-SD 3.96Å |
| 360 | S | 94.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 59 Ų | 59 | 12% | 0.119 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -31.8 | 177.8 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | L356 N357 I358 K368 | L356-S360 PolarHBondContact O-N 3.46Å; L356-S360 VanDerWaalsContact O-N 3.1Å; N357-S360 PolarHBondContact O-N 3.24Å; N357-S360 PolarHBondContact O-OG 2.98Å; I358-S360 VanDerWaalsContact C-N 3.34Å; S360-K368 PolarHBondContact OG-NZ 3.47Å |
| 361 | D | 92.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 29% | 0.291 | S | S | . | . | trans | -138.9 | 106.5 | -174.6 | -55.3 | -65.8 | 0 | 0 | 0 | 110.7 | Y359 L363 V364 M365 K368 | Y359-D361 PolarHBondContact O-N 2.96Å; D361-L363 VanDerWaalsContact C-N 3.34Å; D361-L363 PolarHBondContact O-N 2.98Å; D361-V364 HydrophobicContact CB-CG2 3.47Å; D361-V364 VanDerWaalsContact CB-CG2 3.47Å; D361-V364 PolarHBondContact O-N 3Å; D361-M365 PolarHBondContact O-N 3.28Å; D361-K368 IonicContact OD2-NZ 3.75Å; D361-K368 PolarHBondContact OD2-NZ 3.32Å | ||
| 362 | Q | 92.4 | Very high | 96.1 | Very high | 164 Ų | 164 | 58.3 Ų | 58.3 | 77% | 0.766 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -65.8 | -34.4 | -174.5 | -66.1 | -178.7 | -3.1 | 0 | 0 | 113.1 | V364 M365 | Q362-V364 VanDerWaalsContact C-N 3.31Å; Q362-V364 PolarHBondContact O-N 3.37Å; Q362-M365 VanDerWaalsContact O-CB 3.3Å; Q362-M365 WeakPolarHBondContact O-CB 3.43Å; Q362-M365 PolarHBondContact O-N 2.92Å |
| 363 | L | 92.2 | Very high | 96.1 | Very high | 171 Ų | 171 | 58.7 Ų | 58.7 | 90% | 0.895 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -66.4 | -31.8 | -178.1 | -62.7 | 176.1 | 0 | 0 | 0 | 112.9 | D361 | D361-L363 VanDerWaalsContact C-N 3.34Å; D361-L363 PolarHBondContact O-N 2.98Å |
| 364 | V | 93.7 | Very high | 96.1 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -106.2 | 4.9 | -177.5 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | I310 D361 Q362 W366 Y367 K368 | I310-V364 HydrophobicContact CG2-CB 4.18Å; I310-V364 HydrophobicContact CG2-CG1 3.44Å; I310-V364 VanDerWaalsContact CG2-CG1 3.44Å; D361-V364 HydrophobicContact CB-CG2 3.47Å; D361-V364 VanDerWaalsContact CB-CG2 3.47Å; D361-V364 PolarHBondContact O-N 3Å; Q362-V364 VanDerWaalsContact C-N 3.31Å; Q362-V364 PolarHBondContact O-N 3.37Å; V364-W366 VanDerWaalsContact C-N 3.28Å; V364-W366 PolarHBondContact O-N 2.77Å; V364-Y367 PolarHBondContact O-N 2.86Å; V364-K368 HydrophobicContact CG2-CD 4.11Å; V364-K368 HydrophobicContact CG2-CG 4.29Å; V364-K368 PolarHBondContact O-N 2.86Å |
| 365 | M | 95.4 | Very high | 96.1 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -51.6 | -44.1 | -175.3 | -177.2 | -179.2 | 60 | 0 | 0 | 112.6 | I358 Y359 D361 Q362 Y367 K368 C369 | I358-M365 HydrophobicContact CG2-CG 3.56Å; Y359-M365 HydrophobicContact CD1-SD 4.23Å; Y359-M365 HydrophobicContact CE1-SD 3.96Å; D361-M365 PolarHBondContact O-N 3.28Å; Q362-M365 VanDerWaalsContact O-CB 3.3Å; Q362-M365 WeakPolarHBondContact O-CB 3.43Å; Q362-M365 PolarHBondContact O-N 2.92Å; M365-Y367 PolarHBondContact O-N 2.97Å; M365-K368 PolarHBondContact O-N 2.73Å; M365-C369 PolarHBondContact O-N 3.49Å |
| 366 | W | 95.4 | Very high | 96.1 | Very high | 181 Ų | 181 | 57 Ų | 57 | 69% | 0.686 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.5 | -40.1 | -179.8 | -176.7 | -116.1 | 0 | 0 | 0 | 112.6 | V364 C369 L370 | V364-W366 VanDerWaalsContact C-N 3.28Å; V364-W366 PolarHBondContact O-N 2.77Å; W366-C369 WeakPolarHBondContact O-CB 3.3Å; W366-C369 PolarHBondContact O-N 3.24Å; W366-L370 WeakPolarHBondContact O-CB 3.27Å; W366-L370 PolarHBondContact O-N 3.08Å |
| 367 | Y | 96.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 55 Ų | 55 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.4 | -35.5 | 177.8 | -64.7 | -81.9 | 0 | 0 | 0 | 112 | S307 I310 V364 M365 L370 T371 | S307-Y367 WeakPolarHBondContact CB-O 3.31Å; I310-Y367 HydrophobicContact CB-CD2 4.26Å; I310-Y367 HydrophobicContact CB-CG 4.41Å; I310-Y367 HydrophobicContact CD1-CD1 4.48Å; I310-Y367 HydrophobicContact CD1-CD2 3.96Å; I310-Y367 HydrophobicContact CD1-CE1 3.94Å; I310-Y367 HydrophobicContact CD1-CE2 3.35Å; I310-Y367 HydrophobicContact CD1-CG 4.5Å; I310-Y367 WeakPolarHBondContact CD1-OH 3.31Å; I310-Y367 HydrophobicContact CG1-CE2 4.5Å; I310-Y367 HydrophobicContact CG2-CD2 4.29Å; V364-Y367 PolarHBondContact O-N 2.86Å; M365-Y367 PolarHBondContact O-N 2.97Å; Y367-L370 WeakPolarHBondContact O-CB 3.48Å; Y367-L370 PolarHBondContact O-N 2.97Å; Y367-T371 PolarHBondContact O-N 3.37Å; Y367-T371 PolarHBondContact O-OG1 3.06Å |
| 368 | K | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 171.2 | -65.3 | -172.5 | 168.6 | -174.3 | 0 | 111.6 | I311 D315 I319 N357 I358 S360 D361 V364 M365 T371 S372 | I311-K368 HydrophobicContact CD1-CB 4.38Å; I311-K368 HydrophobicContact CD1-CG 3.7Å; I311-K368 HydrophobicContact CG1-CG 4Å; D315-K368 IonicContact OD1-NZ 3.67Å; D315-K368 WeakPolarHBondContact OD2-CE 3.24Å; D315-K368 IonicContact OD2-NZ 2.64Å; D315-K368 PolarHBondContact OD2-NZ 2.81Å; I319-K368 HydrophobicContact CD1-CB 4.26Å; N357-K368 WeakPolarHBondContact O-CD 3.24Å; N357-K368 PolarHBondContact O-NZ 2.97Å; I358-K368 HydrophobicContact CB-CB 4.3Å; I358-K368 HydrophobicContact CG1-CB 3.74Å; S360-K368 PolarHBondContact OG-NZ 3.47Å; D361-K368 IonicContact OD2-NZ 3.75Å; D361-K368 PolarHBondContact OD2-NZ 3.32Å; V364-K368 HydrophobicContact CG2-CD 4.11Å; V364-K368 HydrophobicContact CG2-CG 4.29Å; V364-K368 PolarHBondContact O-N 2.86Å; M365-K368 PolarHBondContact O-N 2.73Å; K368-T371 WeakPolarHBondContact O-CB 3.5Å; K368-T371 PolarHBondContact O-N 3.08Å; K368-S372 PolarHBondContact O-N 3.48Å |
| 369 | C | 97.2 | Very high | 96.2 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 31% | 0.311 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 172.7 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | M365 W366 T371 S372 V373 | M365-C369 PolarHBondContact O-N 3.49Å; W366-C369 WeakPolarHBondContact O-CB 3.3Å; W366-C369 PolarHBondContact O-N 3.24Å; C369-T371 VanDerWaalsContact C-N 3.29Å; C369-T371 PolarHBondContact O-N 2.95Å; C369-S372 WeakPolarHBondContact O-CB 3.35Å; C369-S372 PolarHBondContact O-N 3.47Å; C369-S372 VanDerWaalsContact O-N 3.1Å; C369-V373 WeakPolarHBondContact O-CG2 3.46Å; C369-V373 PolarHBondContact O-N 2.89Å |
| 370 | L | 96.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 177.2 | -168.1 | 64.8 | 0 | 0 | 0 | 112.3 | C303 R306 W366 Y367 V373 S374 | C303-L370 HydrophobicContact CB-CD1 3.93Å; C303-L370 HydrophobicContact CB-CG 3.96Å; R306-L370 HydrophobicContact CB-CD2 4.21Å; R306-L370 HydrophobicContact CG-CD2 4.16Å; W366-L370 WeakPolarHBondContact O-CB 3.27Å; W366-L370 PolarHBondContact O-N 3.08Å; Y367-L370 WeakPolarHBondContact O-CB 3.48Å; Y367-L370 PolarHBondContact O-N 2.97Å; L370-V373 PolarHBondContact O-N 3.47Å; L370-S374 WeakPolarHBondContact O-CB 3.45Å; L370-S374 PolarHBondContact O-N 3.04Å |
| 371 | T | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 173.8 | -46.9 | 0 | 0 | 0 | 0 | 111 | Y304 S307 I319 Y367 K368 C369 V373 S374 I375 | Y304-T371 HydrophobicContact CD2-CG2 4.42Å; Y304-T371 HydrophobicContact CE2-CG2 4.21Å; S307-T371 WeakPolarHBondContact CB-OG1 3.39Å; S307-T371 PolarHBondContact OG-OG1 3.47Å; I319-T371 HydrophobicContact CB-CG2 4.13Å; I319-T371 HydrophobicContact CD1-CG2 4.18Å; I319-T371 HydrophobicContact CG2-CG2 3.87Å; Y367-T371 PolarHBondContact O-N 3.37Å; Y367-T371 PolarHBondContact O-OG1 3.06Å; K368-T371 WeakPolarHBondContact O-CB 3.5Å; K368-T371 PolarHBondContact O-N 3.08Å; C369-T371 VanDerWaalsContact C-N 3.29Å; C369-T371 PolarHBondContact O-N 2.95Å; T371-V373 PolarHBondContact O-N 3.37Å; T371-S374 VanDerWaalsContact O-CB 3.32Å; T371-S374 WeakPolarHBondContact O-CB 3.3Å; T371-S374 PolarHBondContact O-N 3.43Å; T371-I375 WeakPolarHBondContact O-CG1 3.35Å; T371-I375 PolarHBondContact O-N 3.22Å |
| 372 | S | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | K368 C369 S374 I375 I376 | K368-S372 PolarHBondContact O-N 3.48Å; C369-S372 WeakPolarHBondContact O-CB 3.35Å; C369-S372 PolarHBondContact O-N 3.47Å; C369-S372 VanDerWaalsContact O-N 3.1Å; S372-S374 VanDerWaalsContact C-N 3.33Å; S372-S374 PolarHBondContact O-N 2.79Å; S372-I375 PolarHBondContact O-N 3.47Å; S372-I376 WeakPolarHBondContact O-CG1 3.43Å; S372-I376 PolarHBondContact O-N 3.34Å |
| 373 | V | 97.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | C369 L370 T371 I375 I376 I377 | C369-V373 WeakPolarHBondContact O-CG2 3.46Å; C369-V373 PolarHBondContact O-N 2.89Å; L370-V373 PolarHBondContact O-N 3.47Å; T371-V373 PolarHBondContact O-N 3.37Å; V373-I375 PolarHBondContact O-N 3.19Å; V373-I376 PolarHBondContact O-N 3.43Å; V373-I377 HydrophobicContact CG1-CD1 3.76Å; V373-I377 HydrophobicContact CG1-CG1 4.34Å; V373-I377 VanDerWaalsContact O-CG1 3.31Å; V373-I377 WeakPolarHBondContact O-CG1 3.16Å; V373-I377 PolarHBondContact O-N 2.93Å |
| 374 | S | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | F300 Y304 L370 T371 S372 I376 I377 F378 | F300-S374 WeakPolarHBondContact CD2-O 3.34Å; F300-S374 WeakPolarHBondContact CD2-OG 3.5Å; F300-S374 PolarHBondContact O-OG 3.25Å; Y304-S374 VanDerWaalsContact CB-OG 3.32Å; Y304-S374 WeakPolarHBondContact CB-OG 3.34Å; Y304-S374 PolarHBondContact N-OG 2.85Å; L370-S374 WeakPolarHBondContact O-CB 3.45Å; L370-S374 PolarHBondContact O-N 3.04Å; T371-S374 VanDerWaalsContact O-CB 3.32Å; T371-S374 WeakPolarHBondContact O-CB 3.3Å; T371-S374 PolarHBondContact O-N 3.43Å; S372-S374 VanDerWaalsContact C-N 3.33Å; S372-S374 PolarHBondContact O-N 2.79Å; S374-I376 VanDerWaalsContact C-N 3.33Å; S374-I376 PolarHBondContact O-N 2.93Å; S374-I377 PolarHBondContact O-N 3.46Å; S374-F378 PolarHBondContact O-N 3.41Å |
| 375 | I | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 177.9 | -64.2 | -54.4 | 0 | 0 | 0 | 112.8 | Y304 I319 T320 L323 F326 T371 S372 V373 F378 S379 | Y304-I375 HydrophobicContact CD2-CD1 4.23Å; Y304-I375 HydrophobicContact CE2-CD1 3.84Å; I319-I375 HydrophobicContact CG2-CG1 4.19Å; T320-I375 HydrophobicContact CG2-CD1 3.64Å; L323-I375 HydrophobicContact CB-CG2 4.06Å; L323-I375 HydrophobicContact CD1-CG2 4.31Å; F326-I375 HydrophobicContact CD2-CG2 4.21Å; T371-I375 WeakPolarHBondContact O-CG1 3.35Å; T371-I375 PolarHBondContact O-N 3.22Å; S372-I375 PolarHBondContact O-N 3.47Å; V373-I375 PolarHBondContact O-N 3.19Å; I375-F378 PolarHBondContact O-N 3.42Å; I375-S379 WeakPolarHBondContact O-CB 3.23Å; I375-S379 PolarHBondContact O-N 2.85Å; I375-S379 PolarHBondContact O-OG 3.28Å |
| 376 | I | 97.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 34.4 Ų | 34.4 | 28% | 0.282 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 174.7 | -65.4 | 167.2 | 0 | 0 | 0 | 110.3 | F326 S372 V373 S374 F378 S379 L380 | F326-I376 HydrophobicContact CD1-CG1 3.81Å; F326-I376 HydrophobicContact CE1-CD1 3.84Å; F326-I376 HydrophobicContact CE1-CG1 3.54Å; F326-I376 HydrophobicContact CE2-CG1 4.31Å; F326-I376 HydrophobicContact CG-CG1 4.31Å; F326-I376 HydrophobicContact CZ-CD1 4.08Å; F326-I376 HydrophobicContact CZ-CG1 3.82Å; S372-I376 WeakPolarHBondContact O-CG1 3.43Å; S372-I376 PolarHBondContact O-N 3.34Å; V373-I376 PolarHBondContact O-N 3.43Å; S374-I376 VanDerWaalsContact C-N 3.33Å; S374-I376 PolarHBondContact O-N 2.93Å; I376-F378 VanDerWaalsContact C-N 3.35Å; I376-F378 PolarHBondContact O-N 2.86Å; I376-S379 WeakPolarHBondContact O-CB 3.47Å; I376-S379 PolarHBondContact O-N 2.98Å; I376-S379 VanDerWaalsContact O-N 3.17Å; I376-L380 HydrophobicContact CG2-CD1 4.35Å; I376-L380 WeakPolarHBondContact O-CG 3.32Å; I376-L380 PolarHBondContact O-N 2.98Å |
| 377 | I | 98.2 | Very high | 96 | Very high | 25 Ų | 25 | 34.1 Ų | 34.1 | 13% | 0.128 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 178.5 | -66.1 | 173.9 | 0 | 0 | 0 | 110.9 | L296 I299 F300 V373 S374 S379 L380 F381 | L296-I377 HydrophobicContact CB-CG2 4.31Å; L296-I377 HydrophobicContact CD2-CG2 3.95Å; L296-I377 WeakPolarHBondContact O-CG2 3.14Å; I299-I377 HydrophobicContact CB-CD1 4.27Å; I299-I377 HydrophobicContact CB-CG2 4.45Å; I299-I377 HydrophobicContact CG2-CD1 3.4Å; F300-I377 HydrophobicContact CB-CB 4.38Å; F300-I377 HydrophobicContact CB-CG2 3.92Å; V373-I377 HydrophobicContact CG1-CD1 3.76Å; V373-I377 HydrophobicContact CG1-CG1 4.34Å; V373-I377 VanDerWaalsContact O-CG1 3.31Å; V373-I377 WeakPolarHBondContact O-CG1 3.16Å; V373-I377 PolarHBondContact O-N 2.93Å; S374-I377 PolarHBondContact O-N 3.46Å; I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.29Å; I377-L380 WeakPolarHBondContact O-CB 3.42Å; I377-L380 PolarHBondContact O-N 3.17Å; I377-F381 PolarHBondContact O-N 2.96Å |
| 378 | F | 97.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 33.8 Ų | 33.8 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 173.5 | -170.4 | -129.6 | 0 | 0 | 0 | 112.5 | W297 F300 L323 S374 I375 I376 L380 F381 I382 | W297-F378 HydrophobicContact CZ3-CE2 4.18Å; F300-F378 HydrophobicContact CB-CB 4.46Å; F300-F378 HydrophobicContact CD1-CB 4.4Å; F300-F378 AromaticContact CD1-CD2 3.68Å; F300-F378 HydrophobicContact CD1-CD2 3.68Å; F300-F378 HydrophobicContact CD1-CE2 4.36Å; F300-F378 HydrophobicContact CD1-CG 4.31Å; F300-F378 HydrophobicContact CD2-CB 3.47Å; F300-F378 VanDerWaalsContact CD2-CB 3.47Å; F300-F378 HydrophobicContact CD2-CD2 4.21Å; F300-F378 HydrophobicContact CD2-CG 4.01Å; F300-F378 AromaticContact CE1-CD2 3.59Å; F300-F378 HydrophobicContact CE1-CD2 3.59Å; F300-F378 AromaticContact CE1-CE2 3.94Å; F300-F378 HydrophobicContact CE1-CE2 3.94Å; F300-F378 HydrophobicContact CE1-CG 4.16Å; F300-F378 HydrophobicContact CE2-CB 3.71Å; F300-F378 HydrophobicContact CE2-CD1 4.41Å; F300-F378 HydrophobicContact CE2-CD2 4.14Å; F300-F378 AromaticContact CE2-CG 3.85Å; F300-F378 HydrophobicContact CE2-CG 3.85Å; F300-F378 HydrophobicContact CG-CB 3.84Å; F300-F378 AromaticContact CG-CD2 3.99Å; F300-F378 HydrophobicContact CG-CD2 3.99Å; F300-F378 HydrophobicContact CG-CG 4.23Å; F300-F378 HydrophobicContact CZ-CB 4.28Å; F300-F378 HydrophobicContact CZ-CD1 4.4Å; F300-F378 AromaticContact CZ-CD2 3.83Å; F300-F378 HydrophobicContact CZ-CD2 3.83Å; F300-F378 HydrophobicContact CZ-CE2 4.25Å; F300-F378 AromaticContact CZ-CG 3.93Å; F300-F378 HydrophobicContact CZ-CG 3.93Å; L323-F378 HydrophobicContact CD1-CD1 3.69Å; L323-F378 HydrophobicContact CD1-CE1 4.31Å; L323-F378 HydrophobicContact CD2-CD1 3.85Å; L323-F378 HydrophobicContact CD2-CE1 3.74Å; L323-F378 HydrophobicContact CG-CD1 4.43Å; S374-F378 PolarHBondContact O-N 3.41Å; I375-F378 PolarHBondContact O-N 3.42Å; I376-F378 VanDerWaalsContact C-N 3.35Å; I376-F378 PolarHBondContact O-N 2.86Å; F378-L380 VanDerWaalsContact C-N 3.31Å; F378-L380 PolarHBondContact O-N 3.36Å; F378-F381 HydrophobicContact CD2-CD1 4.22Å; F378-F381 HydrophobicContact CE2-CD1 4.18Å; F378-F381 WeakPolarHBondContact O-CB 3.43Å; F378-F381 PolarHBondContact O-N 3.42Å; F378-I382 HydrophobicContact CD1-CD1 3.93Å; F378-I382 HydrophobicContact CE1-CD1 3.55Å; F378-I382 HydrophobicContact CE2-CD1 4.19Å; F378-I382 HydrophobicContact CE2-CG1 4.36Å; F378-I382 HydrophobicContact CG-CD1 4.41Å; F378-I382 HydrophobicContact CZ-CD1 3.69Å; F378-I382 HydrophobicContact CZ-CG1 4.3Å; F378-I382 WeakPolarHBondContact O-CG1 3.49Å; F378-I382 PolarHBondContact O-N 3.3Å |
| 379 | S | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 175.4 | -56.7 | 0 | 0 | 0 | 0 | 111 | L323 F326 I375 I376 I377 I382 V383 | L323-S379 WeakPolarHBondContact CD1-OG 3.32Å; F326-S379 VanDerWaalsContact CB-OG 3.3Å; F326-S379 WeakPolarHBondContact CB-OG 3.33Å; I375-S379 WeakPolarHBondContact O-CB 3.23Å; I375-S379 PolarHBondContact O-N 2.85Å; I375-S379 PolarHBondContact O-OG 3.28Å; I376-S379 WeakPolarHBondContact O-CB 3.47Å; I376-S379 PolarHBondContact O-N 2.98Å; I376-S379 VanDerWaalsContact O-N 3.17Å; I377-S379 VanDerWaalsContact C-N 3.31Å; I377-S379 PolarHBondContact O-N 3.29Å; S379-I382 PolarHBondContact O-N 2.9Å; S379-V383 WeakPolarHBondContact O-CB 3.25Å; S379-V383 WeakPolarHBondContact O-CG2 3.16Å; S379-V383 PolarHBondContact O-N 3.32Å |
| 380 | L | 97.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.5 | -47 | 174 | -74.1 | 169.4 | 0 | 0 | 0 | 111.4 | L330 I334 I376 I377 F378 I382 V383 V384 | L330-L380 HydrophobicContact CD1-CB 4.44Å; L330-L380 HydrophobicContact CD1-CD2 3.64Å; L330-L380 HydrophobicContact CD1-CG 3.69Å; L330-L380 HydrophobicContact CD2-CD2 3.53Å; L330-L380 HydrophobicContact CD2-CG 4.37Å; L330-L380 HydrophobicContact CG-CD2 4.15Å; I334-L380 HydrophobicContact CD1-CD2 3.98Å; I376-L380 HydrophobicContact CG2-CD1 4.35Å; I376-L380 WeakPolarHBondContact O-CG 3.32Å; I376-L380 PolarHBondContact O-N 2.98Å; I377-L380 WeakPolarHBondContact O-CB 3.42Å; I377-L380 PolarHBondContact O-N 3.17Å; F378-L380 VanDerWaalsContact C-N 3.31Å; F378-L380 PolarHBondContact O-N 3.36Å; L380-I382 PolarHBondContact O-N 3.27Å; L380-V383 PolarHBondContact O-N 3.47Å; L380-V383 VanDerWaalsContact O-N 3.14Å; L380-V384 WeakPolarHBondContact O-CB 3.36Å; L380-V384 VanDerWaalsContact O-CG2 3.31Å; L380-V384 WeakPolarHBondContact O-CG2 3.33Å; L380-V384 PolarHBondContact O-N 2.92Å |
| 381 | F | 96.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.8 | -51.6 | 175.6 | 169.6 | -99 | 0 | 0 | 0 | 111.5 | L293 L296 W297 I377 F378 V383 V384 L385 F400 L404 | L293-F381 HydrophobicContact CB-CD2 4.49Å; L293-F381 HydrophobicContact CB-CE2 4.17Å; L293-F381 HydrophobicContact CD2-CD2 3.85Å; L293-F381 HydrophobicContact CD2-CE2 3.93Å; L293-F381 WeakPolarHBondContact O-CD2 3.07Å; L296-F381 HydrophobicContact CB-CB 4.15Å; L296-F381 HydrophobicContact CB-CD2 4.35Å; W297-F381 HydrophobicContact CB-CD2 4.41Å; W297-F381 HydrophobicContact CB-CE2 4.29Å; W297-F381 HydrophobicContact CE3-CD1 4.17Å; W297-F381 AromaticContact CE3-CE1 3.76Å; W297-F381 HydrophobicContact CE3-CE1 3.76Å; W297-F381 HydrophobicContact CE3-CE2 4.19Å; W297-F381 AromaticContact CE3-CZ 3.77Å; W297-F381 HydrophobicContact CE3-CZ 3.77Å; W297-F381 HydrophobicContact CZ3-CD1 4.46Å; W297-F381 AromaticContact CZ3-CE1 3.86Å; W297-F381 HydrophobicContact CZ3-CE1 3.86Å; W297-F381 HydrophobicContact CZ3-CZ 4.15Å; I377-F381 PolarHBondContact O-N 2.96Å; F378-F381 HydrophobicContact CD2-CD1 4.22Å; F378-F381 HydrophobicContact CE2-CD1 4.18Å; F378-F381 WeakPolarHBondContact O-CB 3.43Å; F378-F381 PolarHBondContact O-N 3.42Å; F381-V383 VanDerWaalsContact C-N 3.32Å; F381-V383 PolarHBondContact O-N 3.36Å; F381-V384 PolarHBondContact O-N 2.91Å; F381-L385 HydrophobicContact CE1-CD2 4.26Å; F381-L385 HydrophobicContact CZ-CD2 4.31Å; F381-L385 VanDerWaalsContact O-CB 3.22Å; F381-L385 WeakPolarHBondContact O-CB 3.37Å; F381-L385 PolarHBondContact O-N 3.31Å; F381-F400 HydrophobicContact CE2-CZ 4.48Å; F381-F400 HydrophobicContact CZ-CE1 4.15Å; F381-F400 HydrophobicContact CZ-CZ 4.27Å; F381-L404 HydrophobicContact CE2-CD1 3.59Å; F381-L404 HydrophobicContact CZ-CD1 3.65Å |
| 382 | I | 94.7 | Very high | 92.9 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 179.2 | -69 | 169.7 | 0 | 0 | 0 | 111.8 | L327 F378 S379 L380 K386 | L327-I382 HydrophobicContact CD1-CD1 4.29Å; L327-I382 HydrophobicContact CD2-CB 3.65Å; L327-I382 HydrophobicContact CD2-CD1 4.01Å; L327-I382 HydrophobicContact CD2-CG1 4.41Å; L327-I382 HydrophobicContact CD2-CG2 3.59Å; F378-I382 HydrophobicContact CD1-CD1 3.93Å; F378-I382 HydrophobicContact CE1-CD1 3.55Å; F378-I382 HydrophobicContact CE2-CD1 4.19Å; F378-I382 HydrophobicContact CE2-CG1 4.36Å; F378-I382 HydrophobicContact CG-CD1 4.41Å; F378-I382 HydrophobicContact CZ-CD1 3.69Å; F378-I382 HydrophobicContact CZ-CG1 4.3Å; F378-I382 WeakPolarHBondContact O-CG1 3.49Å; F378-I382 PolarHBondContact O-N 3.3Å; S379-I382 PolarHBondContact O-N 2.9Å; L380-I382 PolarHBondContact O-N 3.27Å; I382-K386 HydrophobicContact CG2-CD 4.04Å; I382-K386 WeakPolarHBondContact O-CB 3.31Å; I382-K386 VanDerWaalsContact O-CG 3.3Å; I382-K386 WeakPolarHBondContact O-CG 3.38Å; I382-K386 PolarHBondContact O-N 3.5Å |
| 383 | V | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.4 | -43.3 | -177.8 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L327 L330 I334 V335 S379 L380 F381 L385 K386 R387 | L327-V383 HydrophobicContact CD2-CG2 4.12Å; L330-V383 HydrophobicContact CB-CB 4.37Å; L330-V383 HydrophobicContact CB-CG1 4.36Å; L330-V383 HydrophobicContact CB-CG2 3.69Å; I334-V383 HydrophobicContact CB-CG1 3.89Å; I334-V383 HydrophobicContact CD1-CG1 3.86Å; I334-V383 HydrophobicContact CG1-CG1 4.4Å; I334-V383 HydrophobicContact CG2-CG1 4.11Å; V335-V383 HydrophobicContact CG2-CG1 4.1Å; S379-V383 WeakPolarHBondContact O-CB 3.25Å; S379-V383 WeakPolarHBondContact O-CG2 3.16Å; S379-V383 PolarHBondContact O-N 3.32Å; L380-V383 PolarHBondContact O-N 3.47Å; L380-V383 VanDerWaalsContact O-N 3.14Å; F381-V383 VanDerWaalsContact C-N 3.32Å; F381-V383 PolarHBondContact O-N 3.36Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-K386 PolarHBondContact O-N 3.18Å; V383-R387 PolarHBondContact O-N 2.92Å |
| 384 | V | 93.6 | Very high | 92.1 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 174 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | L292 L293 L296 L380 F381 K386 R387 I388 | L292-V384 HydrophobicContact CD2-CG1 4.32Å; L293-V384 HydrophobicContact CD2-CB 4.19Å; L293-V384 HydrophobicContact CD2-CG1 3.8Å; L293-V384 HydrophobicContact CG-CG1 4.45Å; L296-V384 HydrophobicContact CD1-CG2 4.41Å; L380-V384 WeakPolarHBondContact O-CB 3.36Å; L380-V384 VanDerWaalsContact O-CG2 3.31Å; L380-V384 WeakPolarHBondContact O-CG2 3.33Å; L380-V384 PolarHBondContact O-N 2.92Å; F381-V384 PolarHBondContact O-N 2.91Å; V384-K386 PolarHBondContact O-N 3.25Å; V384-R387 WeakPolarHBondContact O-CB 3.34Å; V384-R387 PolarHBondContact O-N 3.11Å; V384-R387 VanDerWaalsContact O-N 3.09Å; V384-I388 HydrophobicContact CG1-CD1 3.79Å; V384-I388 WeakPolarHBondContact O-CG1 3.49Å; V384-I388 PolarHBondContact O-N 3.4Å |
| 385 | L | 92.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 175.8 | -173.5 | 62.3 | 0 | 0 | 0 | 112 | L293 F381 V383 R387 I388 I389 M397 F400 | L293-L385 HydrophobicContact CD1-CD1 4.16Å; L293-L385 HydrophobicContact CD2-CB 4.33Å; F381-L385 HydrophobicContact CE1-CD2 4.26Å; F381-L385 HydrophobicContact CZ-CD2 4.31Å; F381-L385 VanDerWaalsContact O-CB 3.22Å; F381-L385 WeakPolarHBondContact O-CB 3.37Å; F381-L385 PolarHBondContact O-N 3.31Å; V383-L385 VanDerWaalsContact C-N 3.33Å; L385-R387 PolarHBondContact O-N 3.46Å; L385-I388 PolarHBondContact O-N 3.31Å; L385-I389 HydrophobicContact CD1-CD1 3.27Å; L385-I389 HydrophobicContact CD1-CG1 4.11Å; L385-I389 HydrophobicContact CG-CD1 4.02Å; L385-I389 WeakPolarHBondContact O-CB 3.41Å; L385-I389 PolarHBondContact O-N 3.39Å; L385-M397 HydrophobicContact CD2-CE 4.05Å; L385-F400 HydrophobicContact CD1-CD1 4.06Å; L385-F400 HydrophobicContact CD1-CD2 4.08Å; L385-F400 HydrophobicContact CD1-CE1 3.5Å; L385-F400 HydrophobicContact CD1-CE2 3.53Å; L385-F400 HydrophobicContact CD1-CG 4.33Å; L385-F400 HydrophobicContact CD1-CZ 3.22Å; L385-F400 HydrophobicContact CD2-CD1 4.31Å; L385-F400 HydrophobicContact CD2-CE1 3.73Å; L385-F400 HydrophobicContact CD2-CZ 4.23Å; L385-F400 HydrophobicContact CG-CE1 4.28Å; L385-F400 HydrophobicContact CG-CZ 4.34Å |
| 386 | K | 89.9 | Confident | 91.3 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.5 | -24.6 | 175.7 | -78.2 | 172.4 | -179.2 | 162.8 | 0 | 113.9 | I382 V383 V384 | I382-K386 HydrophobicContact CG2-CD 4.04Å; I382-K386 WeakPolarHBondContact O-CB 3.31Å; I382-K386 VanDerWaalsContact O-CG 3.3Å; I382-K386 WeakPolarHBondContact O-CG 3.38Å; I382-K386 PolarHBondContact O-N 3.5Å; V383-K386 PolarHBondContact O-N 3.18Å; V384-K386 PolarHBondContact O-N 3.25Å |
| 387 | R | 89.3 | Confident | 91 | Very high | 174 Ų | 174 | 49.6 Ų | 49.6 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -77.7 | -39.2 | 175.4 | -176.5 | 177.5 | -177.8 | 175.4 | 3.2 | 111.2 | V335 V383 V384 L385 | V335-R387 HydrophobicContact CG2-CB 4.49Å; V383-R387 PolarHBondContact O-N 2.92Å; V384-R387 WeakPolarHBondContact O-CB 3.34Å; V384-R387 PolarHBondContact O-N 3.11Å; V384-R387 VanDerWaalsContact O-N 3.09Å; L385-R387 PolarHBondContact O-N 3.46Å |
| 388 | I | 86.9 | Confident | 90.8 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.6 | -41.1 | 178.1 | -66.3 | 164.9 | 0 | 0 | 0 | 110.2 | R289 L293 V384 L385 | R289-I388 HydrophobicContact CB-CD1 4.3Å; R289-I388 HydrophobicContact CG-CD1 4.36Å; L293-I388 HydrophobicContact CD1-CD1 3.77Å; L293-I388 HydrophobicContact CD2-CD1 4.49Å; L293-I388 HydrophobicContact CG-CD1 4.21Å; V384-I388 HydrophobicContact CG1-CD1 3.79Å; V384-I388 WeakPolarHBondContact O-CG1 3.49Å; V384-I388 PolarHBondContact O-N 3.4Å; L385-I388 PolarHBondContact O-N 3.31Å |
| 389 | I | 84.5 | Confident | 90.4 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | trans | -111.3 | 110.8 | -170.1 | -54.7 | 176.8 | 0 | 0 | 0 | 110.2 | I275 L385 P392 M397 F400 | I275-I389 HydrophobicContact CD1-CD1 3.88Å; I275-I389 HydrophobicContact CD1-CG1 4.24Å; I275-I389 HydrophobicContact CD1-CG2 3.48Å; I275-I389 VanDerWaalsContact CD1-CG2 3.48Å; I275-I389 HydrophobicContact CG1-CD1 3.97Å; I275-I389 HydrophobicContact CG1-CG1 4.04Å; I275-I389 HydrophobicContact CG1-CG2 3.93Å; L385-I389 HydrophobicContact CD1-CD1 3.27Å; L385-I389 HydrophobicContact CD1-CG1 4.11Å; L385-I389 HydrophobicContact CG-CD1 4.02Å; L385-I389 WeakPolarHBondContact O-CB 3.41Å; L385-I389 PolarHBondContact O-N 3.39Å; I389-P392 HydrophobicContact CG2-CB 3.43Å; I389-P392 VanDerWaalsContact CG2-CB 3.43Å; I389-P392 HydrophobicContact CG2-CG 3.51Å; I389-M397 HydrophobicContact CD1-SD 4.41Å; I389-F400 HydrophobicContact CD1-CD2 4.08Å; I389-F400 HydrophobicContact CD1-CG 4.24Å | ||
| 390 | N | 79.9 | Confident | 90.2 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 76% | 0.759 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -92.8 | 109.9 | 177.1 | -169.9 | 22.7 | 0 | 0 | 0 | 111.1 | ||
| 391 | K | 82.4 | Confident | 90 | Very high | 188 Ų | 188 | 47.5 Ų | 47.5 | 82% | 0.817 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 48.9 | 65.1 | 176.3 | -62.2 | -179.1 | -179.3 | 175.5 | 0 | 114.5 | ||
| 392 | P | 87.6 | Confident | 89.8 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | trans | -71.5 | 152.3 | -177.3 | 29.3 | -32.2 | 0 | 0 | 0 | 113.5 | I275 I389 Q396 M397 R457 | I275-P392 HydrophobicContact CD1-CB 3.69Å; I389-P392 HydrophobicContact CG2-CB 3.43Å; I389-P392 VanDerWaalsContact CG2-CB 3.43Å; I389-P392 HydrophobicContact CG2-CG 3.51Å; P392-Q396 HydrophobicContact CB-CB 4.23Å; P392-M397 HydrophobicContact CB-CG 3.8Å; P392-M397 HydrophobicContact CB-SD 4Å; P392-M397 HydrophobicContact CG-CG 3.51Å; P392-M397 HydrophobicContact CG-SD 3.49Å; P392-M397 WeakPolarHBondContact CG-SD 3.22Å; P392-R457 PolarHBondContact O-NH1 3.49Å | ||
| 393 | T | 88.5 | Confident | 89.7 | Confident | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | trans | -72.4 | 171.3 | 167.3 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | Q396 M397 R457 | T393-Q396 VanDerWaalsContact OG1-CB 3.27Å; T393-Q396 WeakPolarHBondContact OG1-CB 3.32Å; T393-Q396 VanDerWaalsContact OG1-CG 3.26Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.29Å; T393-Q396 PolarHBondContact OG1-N 3.31Å; T393-M397 PolarHBondContact O-N 3.12Å; T393-M397 VanDerWaalsContact O-N 3.14Å; T393-R457 VanDerWaalsContact C-NH2 3.25Å; T393-R457 PolarHBondContact O-NH2 3Å | ||
| 394 | V | 89.5 | Confident | 89.5 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -50 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 110 | Y251 Q396 M397 A398 M454 R457 | Y251-V394 HydrophobicContact CD2-CG1 4.03Å; Y251-V394 HydrophobicContact CE2-CB 4.14Å; Y251-V394 HydrophobicContact CE2-CG1 3.65Å; V394-Q396 VanDerWaalsContact C-N 3.26Å; V394-Q396 PolarHBondContact O-N 3.04Å; V394-M397 PolarHBondContact O-N 3.02Å; V394-M397 VanDerWaalsContact O-N 3.14Å; V394-A398 PolarHBondContact O-N 2.92Å; V394-M454 HydrophobicContact CG1-CE 3.65Å; V394-M454 HydrophobicContact CG2-CE 4.33Å; V394-R457 VanDerWaalsContact CG2-CZ 3.5Å |
| 395 | G | 88.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y251 A398 C399 | Y251-G395 VanDerWaalsContact CZ-CA 3.44Å; Y251-G395 PolarHBondContact OH-N 2.72Å; G395-A398 PolarHBondContact O-N 2.89Å; G395-C399 WeakPolarHBondContact O-CB 3.48Å; G395-C399 PolarHBondContact O-N 3.31Å |
| 396 | Q | 90.5 | Very high | 89.6 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 173.3 | -86.4 | -179.3 | -7.4 | 0 | 0 | 113.5 | I275 P392 T393 V394 C399 F400 | I275-Q396 HydrophobicContact CB-CB 4.43Å; I275-Q396 HydrophobicContact CB-CG 4.27Å; I275-Q396 HydrophobicContact CD1-CB 3.56Å; I275-Q396 HydrophobicContact CD1-CG 4.14Å; P392-Q396 HydrophobicContact CB-CB 4.23Å; T393-Q396 VanDerWaalsContact OG1-CB 3.27Å; T393-Q396 WeakPolarHBondContact OG1-CB 3.32Å; T393-Q396 VanDerWaalsContact OG1-CG 3.26Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.29Å; T393-Q396 PolarHBondContact OG1-N 3.31Å; V394-Q396 VanDerWaalsContact C-N 3.26Å; V394-Q396 PolarHBondContact O-N 3.04Å; Q396-C399 PolarHBondContact O-N 3.43Å; Q396-F400 PolarHBondContact O-N 3.28Å |
| 397 | M | 91.4 | Very high | 89.6 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 175.6 | -76.6 | -61.6 | -78.5 | 0 | 0 | 111.9 | L385 I389 P392 T393 V394 F400 Y401 | L385-M397 HydrophobicContact CD2-CE 4.05Å; I389-M397 HydrophobicContact CD1-SD 4.41Å; P392-M397 HydrophobicContact CB-CG 3.8Å; P392-M397 HydrophobicContact CB-SD 4Å; P392-M397 HydrophobicContact CG-CG 3.51Å; P392-M397 HydrophobicContact CG-SD 3.49Å; P392-M397 WeakPolarHBondContact CG-SD 3.22Å; T393-M397 PolarHBondContact O-N 3.12Å; T393-M397 VanDerWaalsContact O-N 3.14Å; V394-M397 PolarHBondContact O-N 3.02Å; V394-M397 VanDerWaalsContact O-N 3.14Å; M397-F400 WeakPolarHBondContact O-CB 3.34Å; M397-F400 PolarHBondContact O-N 2.94Å; M397-Y401 HydrophobicContact CB-CE2 4.4Å; M397-Y401 HydrophobicContact CE-CE2 4Å; M397-Y401 WeakPolarHBondContact O-CD2 3.37Å; M397-Y401 PolarHBondContact O-N 3.13Å |
| 398 | A | 93 | Very high | 89.7 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 5% | 0.05 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I247 Y248 Y251 V394 G395 F400 Y401 F402 | I247-A398 HydrophobicContact CG2-CB 3.86Å; Y248-A398 HydrophobicContact CD2-CB 3.92Å; Y251-A398 HydrophobicContact CG-CB 4.23Å; V394-A398 PolarHBondContact O-N 2.92Å; G395-A398 PolarHBondContact O-N 2.89Å; A398-F400 VanDerWaalsContact C-N 3.31Å; A398-F400 PolarHBondContact O-N 3.19Å; A398-Y401 PolarHBondContact O-N 3.41Å; A398-F402 PolarHBondContact O-N 3.23Å |
| 399 | C | 91.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 8% | 0.081 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -38.1 | 174.9 | -174 | 0 | 0 | 0 | 0 | 112.1 | Y248 H272 G395 Q396 F402 A403 | Y248-C399 HydrophobicContact CD2-CB 3.9Å; Y248-C399 HydrophobicContact CE2-CB 3.81Å; Y248-C399 HydrophobicContact CG-CB 4.49Å; H272-C399 HydrophobicContact CB-CB 3.86Å; G395-C399 WeakPolarHBondContact O-CB 3.48Å; G395-C399 PolarHBondContact O-N 3.31Å; Q396-C399 PolarHBondContact O-N 3.43Å; C399-F402 PolarHBondContact O-N 2.86Å; C399-A403 WeakPolarHBondContact O-CB 3.38Å; C399-A403 PolarHBondContact O-N 2.9Å |
| 400 | F | 91.6 | Very high | 89.9 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 174.1 | 169.3 | -95.6 | 0 | 0 | 0 | 111.8 | L293 F381 L385 I389 Q396 M397 A398 F402 A403 L404 | L293-F400 HydrophobicContact CD1-CE2 3.78Å; L293-F400 HydrophobicContact CD1-CZ 3.97Å; F381-F400 HydrophobicContact CE2-CZ 4.48Å; F381-F400 HydrophobicContact CZ-CE1 4.15Å; F381-F400 HydrophobicContact CZ-CZ 4.27Å; L385-F400 HydrophobicContact CD1-CD1 4.06Å; L385-F400 HydrophobicContact CD1-CD2 4.08Å; L385-F400 HydrophobicContact CD1-CE1 3.5Å; L385-F400 HydrophobicContact CD1-CE2 3.53Å; L385-F400 HydrophobicContact CD1-CG 4.33Å; L385-F400 HydrophobicContact CD1-CZ 3.22Å; L385-F400 HydrophobicContact CD2-CD1 4.31Å; L385-F400 HydrophobicContact CD2-CE1 3.73Å; L385-F400 HydrophobicContact CD2-CZ 4.23Å; L385-F400 HydrophobicContact CG-CE1 4.28Å; L385-F400 HydrophobicContact CG-CZ 4.34Å; I389-F400 HydrophobicContact CD1-CD2 4.08Å; I389-F400 HydrophobicContact CD1-CG 4.24Å; Q396-F400 PolarHBondContact O-N 3.28Å; M397-F400 WeakPolarHBondContact O-CB 3.34Å; M397-F400 PolarHBondContact O-N 2.94Å; A398-F400 VanDerWaalsContact C-N 3.31Å; A398-F400 PolarHBondContact O-N 3.19Å; F400-F402 VanDerWaalsContact C-N 3.31Å; F400-F402 PolarHBondContact O-N 2.89Å; F400-A403 PolarHBondContact O-N 3.05Å; F400-L404 HydrophobicContact CE1-CB 4.48Å; F400-L404 HydrophobicContact CE1-CD1 3.83Å; F400-L404 HydrophobicContact CZ-CB 4.39Å; F400-L404 HydrophobicContact CZ-CD1 3.58Å; F400-L404 VanDerWaalsContact O-CB 3.29Å; F400-L404 WeakPolarHBondContact O-CB 3.22Å; F400-L404 PolarHBondContact O-N 3.41Å |
| 401 | Y | 93.2 | Very high | 90.1 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 177.8 | -71.6 | -61.8 | 0 | 0 | 0 | 112.6 | I247 M397 A398 L404 G405 T449 | I247-Y401 HydrophobicContact CD1-CD2 4.3Å; I247-Y401 HydrophobicContact CD1-CG 4.11Å; M397-Y401 HydrophobicContact CB-CE2 4.4Å; M397-Y401 HydrophobicContact CE-CE2 4Å; M397-Y401 WeakPolarHBondContact O-CD2 3.37Å; M397-Y401 PolarHBondContact O-N 3.13Å; A398-Y401 PolarHBondContact O-N 3.41Å; Y401-L404 PolarHBondContact O-N 3.19Å; Y401-G405 PolarHBondContact O-N 3.42Å; Y401-T449 HydrophobicContact CD1-CG2 3.92Å; Y401-T449 HydrophobicContact CD2-CG2 3.94Å; Y401-T449 HydrophobicContact CE1-CG2 3.61Å; Y401-T449 HydrophobicContact CE2-CG2 3.65Å; Y401-T449 HydrophobicContact CG-CG2 4.09Å; Y401-T449 VanDerWaalsContact CZ-CG2 3.47Å |
| 402 | F | 93.4 | Very high | 90 | Very high | 69 Ų | 69 | 33 Ų | 33 | 30% | 0.303 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.6 | -52.2 | 171.9 | 172.5 | -90.6 | 0 | 0 | 0 | 111.7 | I245 Y248 A398 C399 F400 L404 G405 V406 | I245-F402 HydrophobicContact CB-CD2 4.5Å; I245-F402 HydrophobicContact CG2-CD2 3.75Å; I245-F402 HydrophobicContact CG2-CE2 3.57Å; I245-F402 VanDerWaalsContact O-CD2 3.29Å; I245-F402 WeakPolarHBondContact O-CD2 3.45Å; Y248-F402 VanDerWaalsContact CB-CB 3.5Å; Y248-F402 HydrophobicContact CD1-CG 4.46Å; Y248-F402 HydrophobicContact CG-CB 4.31Å; A398-F402 PolarHBondContact O-N 3.23Å; C399-F402 PolarHBondContact O-N 2.86Å; F400-F402 VanDerWaalsContact C-N 3.31Å; F400-F402 PolarHBondContact O-N 2.89Å; F402-L404 VanDerWaalsContact C-N 3.3Å; F402-L404 PolarHBondContact O-N 3.31Å; F402-G405 PolarHBondContact O-N 3.01Å; F402-V406 HydrophobicContact CD1-CG2 4.33Å; F402-V406 HydrophobicContact CE1-CG2 3.94Å; F402-V406 HydrophobicContact CE2-CG2 4.26Å; F402-V406 HydrophobicContact CZ-CG2 3.9Å; F402-V406 WeakPolarHBondContact O-CG2 3.44Å; F402-V406 PolarHBondContact O-N 3.3Å |
| 403 | A | 91 | Very high | 89.6 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V276 C399 F400 F407 | V276-A403 HydrophobicContact CG2-CB 4.29Å; C399-A403 WeakPolarHBondContact O-CB 3.38Å; C399-A403 PolarHBondContact O-N 2.9Å; F400-A403 PolarHBondContact O-N 3.05Å; A403-F407 WeakPolarHBondContact O-CB 3.5Å; A403-F407 PolarHBondContact O-N 3.24Å |
| 404 | L | 92.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 175.1 | -180 | 143.4 | 0 | 0 | 0 | 111.6 | L244 W297 F381 F400 Y401 F402 N408 | L244-L404 HydrophobicContact CD1-CD2 3.5Å; W297-L404 HydrophobicContact CD2-CD2 4.05Å; W297-L404 HydrophobicContact CG-CD2 4.06Å; F381-L404 HydrophobicContact CE2-CD1 3.59Å; F381-L404 HydrophobicContact CZ-CD1 3.65Å; F400-L404 HydrophobicContact CE1-CB 4.48Å; F400-L404 HydrophobicContact CE1-CD1 3.83Å; F400-L404 HydrophobicContact CZ-CB 4.39Å; F400-L404 HydrophobicContact CZ-CD1 3.58Å; F400-L404 VanDerWaalsContact O-CB 3.29Å; F400-L404 WeakPolarHBondContact O-CB 3.22Å; F400-L404 PolarHBondContact O-N 3.41Å; Y401-L404 PolarHBondContact O-N 3.19Å; F402-L404 VanDerWaalsContact C-N 3.3Å; F402-L404 PolarHBondContact O-N 3.31Å; L404-N408 WeakPolarHBondContact CD2-ND2 3.46Å; L404-N408 WeakPolarHBondContact O-CB 3.5Å; L404-N408 VanDerWaalsContact O-CG 3.26Å; L404-N408 PolarHBondContact O-N 3.21Å; L404-N408 PolarHBondContact O-ND2 3.3Å; L404-N408 VanDerWaalsContact O-ND2 3.09Å |
| 405 | G | 93.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -51.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S241 Y401 F402 F407 N408 I409 | S241-G405 WeakPolarHBondContact O-CA 3.41Å; Y401-G405 PolarHBondContact O-N 3.42Å; F402-G405 PolarHBondContact O-N 3.01Å; G405-F407 VanDerWaalsContact C-N 3.34Å; G405-F407 PolarHBondContact O-N 3.23Å; G405-N408 PolarHBondContact O-N 3.07Å; G405-I409 WeakPolarHBondContact O-CG1 3.37Å; G405-I409 PolarHBondContact O-N 3.2Å |
| 406 | V | 92.1 | Very high | 87.7 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 32% | 0.315 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | I245 F402 I409 L410 | I245-V406 HydrophobicContact CD1-CG2 3.94Å; I245-V406 HydrophobicContact CG1-CG2 4.17Å; I245-V406 HydrophobicContact CG2-CG2 4.43Å; F402-V406 HydrophobicContact CD1-CG2 4.33Å; F402-V406 HydrophobicContact CE1-CG2 3.94Å; F402-V406 HydrophobicContact CE2-CG2 4.26Å; F402-V406 HydrophobicContact CZ-CG2 3.9Å; F402-V406 WeakPolarHBondContact O-CG2 3.44Å; F402-V406 PolarHBondContact O-N 3.3Å; V406-I409 PolarHBondContact O-N 3.38Å; V406-L410 HydrophobicContact CG1-CD1 4.13Å; V406-L410 WeakPolarHBondContact O-CG 3.42Å; V406-L410 PolarHBondContact O-N 2.94Å; V406-L410 VanDerWaalsContact O-N 3.08Å |
| 407 | F | 90.2 | Very high | 87 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | -179 | -172.9 | -92.7 | 0 | 0 | 0 | 112.2 | C290 S294 A403 G405 L410 I411 | C290-F407 HydrophobicContact CB-CE1 4.35Å; C290-F407 HydrophobicContact CB-CE2 4.33Å; C290-F407 HydrophobicContact CB-CZ 4.15Å; S294-F407 VanDerWaalsContact CB-CD1 3.42Å; S294-F407 VanDerWaalsContact CB-CE1 3.48Å; S294-F407 WeakPolarHBondContact OG-CD1 3.13Å; A403-F407 WeakPolarHBondContact O-CB 3.5Å; A403-F407 PolarHBondContact O-N 3.24Å; G405-F407 VanDerWaalsContact C-N 3.34Å; G405-F407 PolarHBondContact O-N 3.23Å; F407-L410 PolarHBondContact O-N 3.39Å; F407-I411 HydrophobicContact CD1-CD1 3.89Å; F407-I411 HydrophobicContact CD1-CG1 4.34Å; F407-I411 HydrophobicContact CE1-CD1 3.14Å; F407-I411 HydrophobicContact CE1-CG1 4.04Å; F407-I411 HydrophobicContact CE2-CD1 4.04Å; F407-I411 HydrophobicContact CZ-CD1 3.25Å; F407-I411 HydrophobicContact CZ-CG1 4.21Å; F407-I411 PolarHBondContact O-N 3.13Å |
| 408 | N | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.2 | -85.7 | -36.2 | 0 | 0 | 0 | 112.1 | S294 Q298 L404 G405 L410 I411 T412 | S294-N408 WeakPolarHBondContact CB-OD1 3.35Å; S294-N408 PolarHBondContact O-OD1 3.4Å; S294-N408 PolarHBondContact OG-OD1 2.9Å; Q298-N408 VanDerWaalsContact CG-OD1 3.31Å; Q298-N408 WeakPolarHBondContact CG-OD1 3.11Å; L404-N408 WeakPolarHBondContact CD2-ND2 3.46Å; L404-N408 WeakPolarHBondContact O-CB 3.5Å; L404-N408 VanDerWaalsContact O-CG 3.26Å; L404-N408 PolarHBondContact O-N 3.21Å; L404-N408 PolarHBondContact O-ND2 3.3Å; L404-N408 VanDerWaalsContact O-ND2 3.09Å; G405-N408 PolarHBondContact O-N 3.07Å; N408-L410 VanDerWaalsContact C-N 3.32Å; N408-L410 PolarHBondContact O-N 3.28Å; N408-I411 PolarHBondContact O-N 3.05Å; N408-T412 WeakPolarHBondContact O-CA 3.3Å; N408-T412 WeakPolarHBondContact O-CB 3.47Å; N408-T412 PolarHBondContact O-N 2.71Å; N408-T412 PolarHBondContact O-OG1 2.71Å |
| 409 | I | 89.6 | Confident | 85.1 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 16% | 0.159 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 174.8 | -73.5 | -173.9 | 0 | 0 | 0 | 110.3 | Y238 F242 I245 G405 V406 I411 W413 | Y238-I409 HydrophobicContact CE2-CB 4.36Å; Y238-I409 HydrophobicContact CE2-CG1 4.23Å; Y238-I409 HydrophobicContact CE2-CG2 4.15Å; Y238-I409 WeakPolarHBondContact OH-CG2 3.29Å; F242-I409 HydrophobicContact CB-CD1 4.02Å; F242-I409 HydrophobicContact CD2-CD1 3.68Å; F242-I409 HydrophobicContact CG-CD1 4.34Å; I245-I409 HydrophobicContact CD1-CD1 3.31Å; I245-I409 HydrophobicContact CD1-CG1 4.22Å; G405-I409 WeakPolarHBondContact O-CG1 3.37Å; G405-I409 PolarHBondContact O-N 3.2Å; V406-I409 PolarHBondContact O-N 3.38Å; I409-I411 PolarHBondContact O-N 3.44Å; I409-W413 WeakPolarHBondContact O-CB 3.26Å; I409-W413 PolarHBondContact O-N 2.93Å; I409-W413 VanDerWaalsContact O-N 3.14Å |
| 410 | L | 87.7 | Confident | 84.1 | Confident | 114 Ų | 114 | 49 Ų | 49 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.6 | -38.5 | -178.6 | -69.5 | 172.2 | 0 | 0 | 0 | 113 | V406 F407 N408 W413 | V406-L410 HydrophobicContact CG1-CD1 4.13Å; V406-L410 WeakPolarHBondContact O-CG 3.42Å; V406-L410 PolarHBondContact O-N 2.94Å; V406-L410 VanDerWaalsContact O-N 3.08Å; F407-L410 PolarHBondContact O-N 3.39Å; N408-L410 VanDerWaalsContact C-N 3.32Å; N408-L410 PolarHBondContact O-N 3.28Å; L410-W413 VanDerWaalsContact O-CD1 3.32Å |
| 411 | I | 82.8 | Confident | 82.9 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 33% | 0.328 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -84.2 | -32 | -178.8 | -70.2 | -164.1 | 0 | 0 | 0 | 113.1 | F407 N408 I409 P414 | F407-I411 HydrophobicContact CD1-CD1 3.89Å; F407-I411 HydrophobicContact CD1-CG1 4.34Å; F407-I411 HydrophobicContact CE1-CD1 3.14Å; F407-I411 HydrophobicContact CE1-CG1 4.04Å; F407-I411 HydrophobicContact CE2-CD1 4.04Å; F407-I411 HydrophobicContact CZ-CD1 3.25Å; F407-I411 HydrophobicContact CZ-CG1 4.21Å; F407-I411 PolarHBondContact O-N 3.13Å; N408-I411 PolarHBondContact O-N 3.05Å; I409-I411 PolarHBondContact O-N 3.44Å; I411-P414 WeakPolarHBondContact O-CD 3.47Å |
| 412 | T | 81.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.043 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -95.2 | -18.2 | -168.1 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | Q298 N408 P414 I415 F416 | Q298-T412 PolarHBondContact NE2-OG1 3.37Å; N408-T412 WeakPolarHBondContact O-CA 3.3Å; N408-T412 WeakPolarHBondContact O-CB 3.47Å; N408-T412 PolarHBondContact O-N 2.71Å; N408-T412 PolarHBondContact O-OG1 2.71Å; T412-P414 VanDerWaalsContact C-N 3.33Å; T412-I415 HydrophobicContact CG2-CB 4.25Å; T412-I415 HydrophobicContact CG2-CD1 4.45Å; T412-I415 WeakPolarHBondContact O-CB 3.37Å; T412-I415 PolarHBondContact O-N 2.74Å; T412-F416 PolarHBondContact O-N 3.35Å |
| 413 | W | 79.8 | Confident | 80.4 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 55% | 0.553 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -52.9 | -43.7 | 175.2 | 98.2 | -92.8 | 0 | 0 | 0 | 113.2 | Y238 I409 L410 I415 F416 V417 | Y238-W413 HydrophobicContact CE2-CB 4.24Å; I409-W413 WeakPolarHBondContact O-CB 3.26Å; I409-W413 PolarHBondContact O-N 2.93Å; I409-W413 VanDerWaalsContact O-N 3.14Å; L410-W413 VanDerWaalsContact O-CD1 3.32Å; W413-I415 VanDerWaalsContact C-N 3.33Å; W413-I415 PolarHBondContact O-N 2.89Å; W413-F416 PolarHBondContact O-N 2.96Å; W413-V417 HydrophobicContact CE3-CG2 3.72Å; W413-V417 HydrophobicContact CZ3-CG2 3.84Å; W413-V417 WeakPolarHBondContact O-CB 3.39Å; W413-V417 VanDerWaalsContact O-CG2 3.25Å; W413-V417 WeakPolarHBondContact O-CG2 3.47Å; W413-V417 PolarHBondContact O-N 3.1Å |
| 414 | P | 79.1 | Confident | 79.1 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70 | -33.5 | 177.8 | -11.1 | 28.7 | 0 | 0 | 0 | 111.4 | I411 T412 V417 F418 | I411-P414 WeakPolarHBondContact O-CD 3.47Å; T412-P414 VanDerWaalsContact C-N 3.33Å; P414-V417 PolarHBondContact O-N 3.25Å; P414-F418 WeakPolarHBondContact O-CB 3.47Å; P414-F418 PolarHBondContact O-N 2.93Å |
| 415 | I | 74.6 | Confident | 78.1 | Confident | 86 Ų | 86 | 64 Ų | 64 | 44% | 0.441 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 178.1 | -58 | 174.7 | 0 | 0 | 0 | 109.4 | T412 W413 V417 F418 T419 | T412-I415 HydrophobicContact CG2-CB 4.25Å; T412-I415 HydrophobicContact CG2-CD1 4.45Å; T412-I415 WeakPolarHBondContact O-CB 3.37Å; T412-I415 PolarHBondContact O-N 2.74Å; W413-I415 VanDerWaalsContact C-N 3.33Å; W413-I415 PolarHBondContact O-N 2.89Å; I415-V417 PolarHBondContact O-N 3.44Å; I415-F418 PolarHBondContact O-N 2.84Å; I415-T419 WeakPolarHBondContact O-CB 3.45Å; I415-T419 PolarHBondContact O-N 3.49Å; I415-T419 PolarHBondContact O-OG1 2.87Å |
| 416 | F | 72.6 | Confident | 77.2 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 176 | 166.6 | -110.3 | 0 | 0 | 0 | 111.7 | L235 T412 W413 F418 T419 S420 I428 | L235-F416 HydrophobicContact CB-CD2 4.38Å; L235-F416 HydrophobicContact CB-CE2 3.74Å; L235-F416 HydrophobicContact CB-CZ 4.36Å; L235-F416 HydrophobicContact CD1-CE1 4.36Å; L235-F416 HydrophobicContact CD1-CE2 3.96Å; L235-F416 HydrophobicContact CD1-CZ 3.77Å; L235-F416 HydrophobicContact CG-CE2 4.37Å; T412-F416 PolarHBondContact O-N 3.35Å; W413-F416 PolarHBondContact O-N 2.96Å; F416-F418 VanDerWaalsContact C-N 3.33Å; F416-F418 PolarHBondContact O-N 3.25Å; F416-T419 PolarHBondContact O-N 3.07Å; F416-S420 WeakPolarHBondContact O-CB 3.46Å; F416-S420 PolarHBondContact O-N 3.06Å; F416-I428 HydrophobicContact CE2-CD1 3.76Å; F416-I428 HydrophobicContact CZ-CD1 4.01Å |
| 417 | V | 74.9 | Confident | 76.5 | Confident | 48 Ų | 48 | 65 Ų | 65 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 178.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | W413 P414 I415 I421 | W413-V417 HydrophobicContact CE3-CG2 3.72Å; W413-V417 HydrophobicContact CZ3-CG2 3.84Å; W413-V417 WeakPolarHBondContact O-CB 3.39Å; W413-V417 VanDerWaalsContact O-CG2 3.25Å; W413-V417 WeakPolarHBondContact O-CG2 3.47Å; W413-V417 PolarHBondContact O-N 3.1Å; P414-V417 PolarHBondContact O-N 3.25Å; I415-V417 PolarHBondContact O-N 3.44Å; V417-I421 HydrophobicContact CG1-CD1 3.61Å; V417-I421 HydrophobicContact CG1-CG1 4.37Å; V417-I421 VanDerWaalsContact O-CB 3.31Å; V417-I421 WeakPolarHBondContact O-CB 3.13Å; V417-I421 WeakPolarHBondContact O-CG1 3.3Å; V417-I421 PolarHBondContact O-N 3.48Å |
| 418 | F | 74.4 | Confident | 76 | Confident | 124 Ų | 124 | 63.8 Ų | 63.8 | 54% | 0.544 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 178.3 | -176.7 | -94.8 | 0 | 0 | 0 | 112 | P414 I415 F416 M422 T423 | P414-F418 WeakPolarHBondContact O-CB 3.47Å; P414-F418 PolarHBondContact O-N 2.93Å; I415-F418 PolarHBondContact O-N 2.84Å; F416-F418 VanDerWaalsContact C-N 3.33Å; F416-F418 PolarHBondContact O-N 3.25Å; F418-M422 HydrophobicContact CD2-CB 3.99Å; F418-M422 HydrophobicContact CD2-CG 3.68Å; F418-M422 HydrophobicContact CE2-CB 3.89Å; F418-M422 HydrophobicContact CE2-CG 3.8Å; F418-M422 HydrophobicContact CG-CB 4.4Å; F418-M422 HydrophobicContact CG-CG 4.4Å; F418-M422 HydrophobicContact CZ-CB 4.21Å; F418-M422 WeakPolarHBondContact O-CA 3.16Å; F418-M422 VanDerWaalsContact O-CB 3.25Å; F418-M422 WeakPolarHBondContact O-CB 3.37Å; F418-M422 PolarHBondContact O-N 3.18Å; F418-T423 PolarHBondContact O-N 2.72Å |
| 419 | T | 71.3 | Confident | 75.6 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 178.8 | -56.6 | 0 | 0 | 0 | 0 | 112 | I415 F416 T425 E426 | I415-T419 WeakPolarHBondContact O-CB 3.45Å; I415-T419 PolarHBondContact O-N 3.49Å; I415-T419 PolarHBondContact O-OG1 2.87Å; F416-T419 PolarHBondContact O-N 3.07Å; T419-T425 WeakPolarHBondContact CG2-OG1 3.49Å; T419-E426 HydrophobicContact CG2-CG 4.06Å |
| 420 | S | 69.3 | Low | 75.3 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.1 | -47.7 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | F416 | F416-S420 WeakPolarHBondContact O-CB 3.46Å; F416-S420 PolarHBondContact O-N 3.06Å |
| 421 | I | 66.9 | Low | 75.2 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 57% | 0.569 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -86.3 | -46.6 | -173.1 | -60.4 | 178.3 | 0 | 0 | 0 | 112.3 | V417 | V417-I421 HydrophobicContact CG1-CD1 3.61Å; V417-I421 HydrophobicContact CG1-CG1 4.37Å; V417-I421 VanDerWaalsContact O-CB 3.31Å; V417-I421 WeakPolarHBondContact O-CB 3.13Å; V417-I421 WeakPolarHBondContact O-CG1 3.3Å; V417-I421 PolarHBondContact O-N 3.48Å |
| 422 | M | 62 | Low | 75.3 | Confident | 134 Ų | 134 | 77 Ų | 77 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -36 | -168.5 | -61.6 | -67.5 | 172.7 | 0 | 0 | 113 | F418 | F418-M422 HydrophobicContact CD2-CB 3.99Å; F418-M422 HydrophobicContact CD2-CG 3.68Å; F418-M422 HydrophobicContact CE2-CB 3.89Å; F418-M422 HydrophobicContact CE2-CG 3.8Å; F418-M422 HydrophobicContact CG-CB 4.4Å; F418-M422 HydrophobicContact CG-CG 4.4Å; F418-M422 HydrophobicContact CZ-CB 4.21Å; F418-M422 WeakPolarHBondContact O-CA 3.16Å; F418-M422 VanDerWaalsContact O-CB 3.25Å; F418-M422 WeakPolarHBondContact O-CB 3.37Å; F418-M422 PolarHBondContact O-N 3.18Å |
| 423 | T | 71.8 | Confident | 75.6 | Confident | 71 Ų | 71 | 77 Ų | 77 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -92.8 | -15.7 | -175.8 | -37.2 | 0 | 0 | 0 | 0 | 111.9 | F418 T425 | F418-T423 PolarHBondContact O-N 2.72Å; T423-T425 HydrophobicContact CG2-CG2 3.37Å; T423-T425 PolarHBondContact O-N 2.95Å |
| 424 | S | 64.5 | Low | 76.1 | Confident | 92 Ų | 92 | 71.3 Ų | 71.3 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | trans | 47.4 | 24.5 | -172.3 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | E426 | S424-E426 VanDerWaalsContact C-N 3.33Š| ||
| 425 | T | 69.6 | Low | 76.7 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | trans | -82.1 | -17.5 | -176.8 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | T419 T423 | T419-T425 WeakPolarHBondContact CG2-OG1 3.49Å; T423-T425 HydrophobicContact CG2-CG2 3.37Å; T423-T425 PolarHBondContact O-N 2.95Å | ||
| 426 | E | 76 | Confident | 77.6 | Confident | 9 Ų | 9 | 77.5 Ų | 77.5 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -120.4 | 98.1 | 178.7 | -61.6 | -168.5 | 172.3 | 0 | 0 | 108.5 | N231 P233 S234 T419 S424 I428 | N231-E426 WeakPolarHBondContact O-CA 3.43Å; N231-E426 WeakPolarHBondContact O-CB 3.34Å; N231-E426 WeakPolarHBondContact O-CG 3.49Å; P233-E426 VanDerWaalsContact CD-OE1 3.31Å; P233-E426 WeakPolarHBondContact CD-OE1 3.4Å; P233-E426 HydrophobicContact CG-CG 4.49Å; P233-E426 VanDerWaalsContact CG-OE1 3.28Å; P233-E426 WeakPolarHBondContact CG-OE1 3.3Å; S234-E426 WeakPolarHBondContact CB-OE1 3.34Å; S234-E426 VanDerWaalsContact CB-OE2 3.28Å; S234-E426 WeakPolarHBondContact CB-OE2 3.42Å; S234-E426 PolarHBondContact N-OE1 3.37Å; S234-E426 PolarHBondContact N-OE2 3.06Å; S234-E426 PolarHBondContact OG-OE1 3.17Å; T419-E426 HydrophobicContact CG2-CG 4.06Å; S424-E426 VanDerWaalsContact C-N 3.33Å; E426-I428 HydrophobicContact CB-CD1 4.47Å; E426-I428 HydrophobicContact CB-CG1 4.37Å; E426-I428 PolarHBondContact O-N 3.41Å |
| 427 | V | 77.5 | Confident | 78.6 | Confident | 64 Ų | 64 | 80.9 Ų | 80.9 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | trans | -73.9 | 118.7 | 170.2 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | E228 V230 N231 | E228-V427 WeakPolarHBondContact O-CG1 3.27Å; V230-V427 WeakPolarHBondContact CA-O 3.43Å; N231-V427 PolarHBondContact N-O 2.94Å | ||
| 428 | I | 79.4 | Confident | 79.4 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 103.3 | -179.7 | -53.9 | -179.4 | 0 | 0 | 0 | 108.6 | P232 L235 F416 E426 W430 | P232-I428 HydrophobicContact CB-CD1 4.13Å; P232-I428 HydrophobicContact CB-CG1 4.07Å; L235-I428 HydrophobicContact CD2-CD1 4.47Å; F416-I428 HydrophobicContact CE2-CD1 3.76Å; F416-I428 HydrophobicContact CZ-CD1 4.01Å; E426-I428 HydrophobicContact CB-CD1 4.47Å; E426-I428 HydrophobicContact CB-CG1 4.37Å; E426-I428 PolarHBondContact O-N 3.41Å; I428-W430 HydrophobicContact CG2-CD2 4.29Å; I428-W430 HydrophobicContact CG2-CZ2 4.5Å |
| 429 | T | 82.7 | Confident | 80.4 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | trans | -94.5 | 103.3 | 168.6 | -47.5 | 0 | 0 | 0 | 0 | 109.3 | L229 I431 Y432 L433 | L229-T429 HydrophobicContact CD1-CG2 4.28Å; L229-T429 WeakPolarHBondContact CD1-OG1 3.44Å; L229-T429 PolarHBondContact O-N 3.24Å; L229-T429 PolarHBondContact O-OG1 3.02Å; T429-I431 PolarHBondContact O-N 3.21Å; T429-I431 VanDerWaalsContact O-N 3.08Å; T429-Y432 HydrophobicContact CG2-CD2 3.6Å; T429-Y432 HydrophobicContact CG2-CE2 4.13Å; T429-Y432 PolarHBondContact O-N 2.9Å; T429-Y432 VanDerWaalsContact O-N 3.08Å; T429-L433 PolarHBondContact O-N 3.44Å | ||
| 430 | W | 83.3 | Confident | 81.5 | Confident | 155 Ų | 155 | 76.5 Ų | 76.5 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.4 | -173.1 | -65.9 | 99.9 | 0 | 0 | 0 | 115 | I428 L433 W435 | I428-W430 HydrophobicContact CG2-CD2 4.29Å; I428-W430 HydrophobicContact CG2-CZ2 4.5Å; W430-L433 HydrophobicContact CE3-CD2 4.39Å; W430-L433 HydrophobicContact CZ3-CD2 4.48Å; W430-W435 HydrophobicContact CE3-CZ2 4.5Å; W430-W435 HydrophobicContact CZ3-CH2 4.43Å |
| 431 | I | 85.8 | Confident | 82.7 | Confident | 152 Ų | 152 | 75 Ų | 75 | 78% | 0.779 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -69.9 | -33.4 | -178.9 | -60.9 | 168.9 | 0 | 0 | 0 | 111.8 | T429 | T429-I431 PolarHBondContact O-N 3.21Å; T429-I431 VanDerWaalsContact O-N 3.08Å |
| 432 | Y | 84.9 | Confident | 84.1 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 54% | 0.541 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -101.8 | 10.9 | -175.5 | -61.5 | -77.3 | 0 | 0 | 0 | 113 | L229 T429 P434 | L229-Y432 HydrophobicContact CD1-CD2 4.02Å; L229-Y432 HydrophobicContact CD1-CE2 4.34Å; L229-Y432 HydrophobicContact CD2-CD1 4.04Å; L229-Y432 HydrophobicContact CD2-CD2 3.5Å; L229-Y432 VanDerWaalsContact CD2-CD2 3.5Å; L229-Y432 HydrophobicContact CD2-CE2 4.07Å; L229-Y432 HydrophobicContact CD2-CG 3.46Å; L229-Y432 VanDerWaalsContact CD2-CG 3.46Å; L229-Y432 HydrophobicContact CG-CD2 3.98Å; L229-Y432 HydrophobicContact CG-CG 4.26Å; T429-Y432 HydrophobicContact CG2-CD2 3.6Å; T429-Y432 HydrophobicContact CG2-CE2 4.13Å; T429-Y432 PolarHBondContact O-N 2.9Å; T429-Y432 VanDerWaalsContact O-N 3.08Å; Y432-P434 WeakPolarHBondContact O-CD 3.35Å |
| 433 | L | 87 | Confident | 85.7 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | trans | -70.9 | 120.5 | -179.3 | -164.4 | 67.8 | 0 | 0 | 0 | 109.3 | V230 P232 L235 T429 W430 W435 F438 | V230-L433 HydrophobicContact CG1-CD1 3.55Å; P232-L433 HydrophobicContact CG-CD1 4.27Å; L235-L433 HydrophobicContact CD2-CD1 4.23Å; L235-L433 HydrophobicContact CD2-CD2 3.71Å; T429-L433 PolarHBondContact O-N 3.44Å; W430-L433 HydrophobicContact CE3-CD2 4.39Å; W430-L433 HydrophobicContact CZ3-CD2 4.48Å; L433-W435 VanDerWaalsContact C-N 3.34Å; L433-W435 HydrophobicContact CD2-CD2 4.27Å; L433-W435 HydrophobicContact CD2-CE3 4.23Å; L433-W435 HydrophobicContact CD2-CH2 3.6Å; L433-W435 HydrophobicContact CD2-CZ2 3.62Å; L433-W435 HydrophobicContact CD2-CZ3 3.91Å; L433-W435 VanDerWaalsContact O-CD1 3.24Å; L433-W435 PolarHBondContact O-N 3.17Å; L433-F438 HydrophobicContact CD1-CE2 3.48Å; L433-F438 VanDerWaalsContact CD1-CE2 3.48Å; L433-F438 HydrophobicContact CD1-CZ 3.81Å; L433-F438 HydrophobicContact CD2-CE2 4.14Å; L433-F438 HydrophobicContact CD2-CZ 4.4Å; L433-F438 HydrophobicContact CG-CD2 4.29Å; L433-F438 HydrophobicContact CG-CE2 3.66Å; L433-F438 HydrophobicContact CG-CZ 4.27Å | ||
| 434 | P | 90.8 | Very high | 86.8 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | trans | -83.5 | 81.8 | -174.2 | 35.2 | -37 | 0 | 0 | 0 | 110.7 | V217 Y432 D436 Y437 F438 | V217-P434 HydrophobicContact CG2-CG 3.95Å; Y432-P434 WeakPolarHBondContact O-CD 3.35Å; P434-D436 PolarHBondContact O-N 3.17Å; P434-D436 VanDerWaalsContact O-N 3.14Å; P434-Y437 HydrophobicContact CB-CD2 3.75Å; P434-Y437 HydrophobicContact CB-CE2 4.35Å; P434-Y437 HydrophobicContact CG-CD2 4.15Å; P434-Y437 PolarHBondContact O-N 3.46Å; P434-Y437 VanDerWaalsContact O-N 3.11Å; P434-F438 WeakPolarHBondContact O-CD2 3.32Å; P434-F438 PolarHBondContact O-N 3.49Å | ||
| 435 | W | 91.2 | Very high | 88.3 | Confident | 141 Ų | 141 | 60.8 Ų | 60.8 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.3 | -33.1 | -175.5 | -66.5 | 107.1 | 0 | 0 | 0 | 114 | W430 L433 Y437 F438 I439 | W430-W435 HydrophobicContact CE3-CZ2 4.5Å; W430-W435 HydrophobicContact CZ3-CH2 4.43Å; L433-W435 VanDerWaalsContact C-N 3.34Å; L433-W435 HydrophobicContact CD2-CD2 4.27Å; L433-W435 HydrophobicContact CD2-CE3 4.23Å; L433-W435 HydrophobicContact CD2-CH2 3.6Å; L433-W435 HydrophobicContact CD2-CZ2 3.62Å; L433-W435 HydrophobicContact CD2-CZ3 3.91Å; L433-W435 VanDerWaalsContact O-CD1 3.24Å; L433-W435 PolarHBondContact O-N 3.17Å; W435-Y437 VanDerWaalsContact C-N 3.31Å; W435-Y437 PolarHBondContact O-N 2.96Å; W435-F438 WeakPolarHBondContact O-CB 3.42Å; W435-F438 PolarHBondContact O-N 3.05Å; W435-F438 VanDerWaalsContact O-N 3.13Å; W435-I439 WeakPolarHBondContact O-CG1 3.32Å; W435-I439 PolarHBondContact O-N 2.9Å |
| 436 | D | 93.2 | Very high | 89.5 | Confident | 134 Ų | 134 | 58.6 Ų | 58.6 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58 | -42.2 | 178.7 | -61.2 | -31.4 | 0 | 0 | 0 | 111.9 | P434 I439 G440 | P434-D436 PolarHBondContact O-N 3.17Å; P434-D436 VanDerWaalsContact O-N 3.14Å; D436-I439 PolarHBondContact O-N 3.23Å; D436-G440 PolarHBondContact O-N 3.21Å |
| 437 | Y | 93.2 | Very high | 90.4 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.5 | -33.2 | 177.4 | -62.5 | -61.9 | 0 | 0 | 0 | 112.2 | N214 P434 W435 I439 G440 V441 | N214-Y437 HydrophobicContact CB-CD1 3.65Å; N214-Y437 HydrophobicContact CB-CD2 3.6Å; N214-Y437 HydrophobicContact CB-CE1 3.61Å; N214-Y437 HydrophobicContact CB-CE2 3.61Å; N214-Y437 HydrophobicContact CB-CG 3.67Å; N214-Y437 VanDerWaalsContact O-CD2 3.24Å; N214-Y437 WeakPolarHBondContact O-CD2 3.06Å; P434-Y437 HydrophobicContact CB-CD2 3.75Å; P434-Y437 HydrophobicContact CB-CE2 4.35Å; P434-Y437 HydrophobicContact CG-CD2 4.15Å; P434-Y437 PolarHBondContact O-N 3.46Å; P434-Y437 VanDerWaalsContact O-N 3.11Å; W435-Y437 VanDerWaalsContact C-N 3.31Å; W435-Y437 PolarHBondContact O-N 2.96Å; Y437-I439 VanDerWaalsContact C-N 3.33Å; Y437-I439 PolarHBondContact O-N 3.05Å; Y437-G440 PolarHBondContact O-N 3.36Å; Y437-V441 WeakPolarHBondContact O-CB 3.45Å; Y437-V441 VanDerWaalsContact O-CG2 3.27Å; Y437-V441 WeakPolarHBondContact O-CG2 2.91Å; Y437-V441 PolarHBondContact O-N 3.22Å |
| 438 | F | 92.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 172.5 | -82.7 | -92.2 | 0 | 0 | 0 | 112.1 | I215 P232 L235 A236 T239 L433 P434 W435 G442 | I215-F438 HydrophobicContact CG1-CD2 4.42Å; I215-F438 HydrophobicContact CG1-CE2 4.39Å; I215-F438 HydrophobicContact CG2-CD2 4.4Å; I215-F438 HydrophobicContact CG2-CE1 4.34Å; I215-F438 HydrophobicContact CG2-CE2 3.57Å; I215-F438 HydrophobicContact CG2-CZ 3.54Å; P232-F438 HydrophobicContact CG-CZ 3.93Å; L235-F438 HydrophobicContact CB-CE1 4.39Å; L235-F438 HydrophobicContact CD2-CE1 4.19Å; L235-F438 HydrophobicContact CD2-CZ 4.02Å; L235-F438 HydrophobicContact CG-CE1 3.95Å; L235-F438 HydrophobicContact CG-CZ 4.25Å; A236-F438 HydrophobicContact CB-CE1 3.97Å; T239-F438 HydrophobicContact CG2-CB 4.5Å; T239-F438 HydrophobicContact CG2-CD1 4.07Å; L433-F438 HydrophobicContact CD1-CE2 3.48Å; L433-F438 VanDerWaalsContact CD1-CE2 3.48Å; L433-F438 HydrophobicContact CD1-CZ 3.81Å; L433-F438 HydrophobicContact CD2-CE2 4.14Å; L433-F438 HydrophobicContact CD2-CZ 4.4Å; L433-F438 HydrophobicContact CG-CD2 4.29Å; L433-F438 HydrophobicContact CG-CE2 3.66Å; L433-F438 HydrophobicContact CG-CZ 4.27Å; P434-F438 WeakPolarHBondContact O-CD2 3.32Å; P434-F438 PolarHBondContact O-N 3.49Å; W435-F438 WeakPolarHBondContact O-CB 3.42Å; W435-F438 PolarHBondContact O-N 3.05Å; W435-F438 VanDerWaalsContact O-N 3.13Å; F438-G442 PolarHBondContact O-N 2.91Å |
| 439 | I | 94.7 | Very high | 91.9 | Very high | 80 Ų | 80 | 56 Ų | 56 | 41% | 0.41 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 174.9 | -64.8 | 166.9 | 0 | 0 | 0 | 109.9 | W243 W435 D436 Y437 V441 G442 I443 | W243-I439 HydrophobicContact CH2-CG2 4.34Å; W243-I439 HydrophobicContact CZ2-CB 4.48Å; W243-I439 HydrophobicContact CZ2-CG2 4.13Å; W435-I439 WeakPolarHBondContact O-CG1 3.32Å; W435-I439 PolarHBondContact O-N 2.9Å; D436-I439 PolarHBondContact O-N 3.23Å; Y437-I439 VanDerWaalsContact C-N 3.33Å; Y437-I439 PolarHBondContact O-N 3.05Å; I439-V441 PolarHBondContact O-N 2.96Å; I439-G442 PolarHBondContact O-N 3.17Å; I439-I443 HydrophobicContact CG2-CD1 3.59Å; I439-I443 HydrophobicContact CG2-CG1 4.27Å; I439-I443 WeakPolarHBondContact O-CG1 3.4Å; I439-I443 PolarHBondContact O-N 3.41Å |
| 440 | G | 94.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D436 Y437 S444 | D436-G440 PolarHBondContact O-N 3.21Å; Y437-G440 PolarHBondContact O-N 3.36Å; G440-S444 WeakPolarHBondContact O-CB 3.36Å; G440-S444 PolarHBondContact O-N 3.01Å; G440-S444 PolarHBondContact O-OG 3.48Å |
| 441 | V | 95.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 174.1 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | F208 C211 V212 I215 I240 Y437 I439 S444 Y445 | F208-V441 HydrophobicContact CD2-CG1 3.93Å; F208-V441 HydrophobicContact CE2-CG1 3.65Å; C211-V441 HydrophobicContact CB-CG2 3.54Å; V212-V441 HydrophobicContact CB-CG2 4.48Å; V212-V441 HydrophobicContact CG2-CG1 4.11Å; V212-V441 HydrophobicContact CG2-CG2 3.66Å; I215-V441 HydrophobicContact CD1-CB 4.23Å; I215-V441 HydrophobicContact CD1-CG1 4.49Å; I215-V441 HydrophobicContact CD1-CG2 3.66Å; I215-V441 HydrophobicContact CG1-CG2 4.47Å; I240-V441 HydrophobicContact CD1-CG1 3.71Å; I240-V441 HydrophobicContact CG1-CG1 3.77Å; Y437-V441 WeakPolarHBondContact O-CB 3.45Å; Y437-V441 VanDerWaalsContact O-CG2 3.27Å; Y437-V441 WeakPolarHBondContact O-CG2 2.91Å; Y437-V441 PolarHBondContact O-N 3.22Å; I439-V441 PolarHBondContact O-N 2.96Å; V441-S444 WeakPolarHBondContact CA-OG 3.4Å; V441-S444 PolarHBondContact O-OG 3.49Å; V441-Y445 VanDerWaalsContact O-CB 3.27Å; V441-Y445 WeakPolarHBondContact O-CB 3.46Å; V441-Y445 PolarHBondContact O-N 3.2Å |
| 442 | G | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F438 I439 Y445 L446 | F438-G442 PolarHBondContact O-N 2.91Å; I439-G442 PolarHBondContact O-N 3.17Å; G442-Y445 PolarHBondContact O-N 3.12Å; G442-L446 PolarHBondContact O-N 3.36Å |
| 443 | I | 95.3 | Very high | 93.5 | Very high | 95 Ų | 95 | 41.5 Ų | 41.5 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -45.2 | -179.2 | -66.3 | 170.7 | 0 | 0 | 0 | 110.8 | W243 I439 Y445 L446 G447 | W243-I443 HydrophobicContact CH2-CD1 4.3Å; W243-I443 HydrophobicContact CH2-CG1 3.72Å; W243-I443 HydrophobicContact CZ2-CG1 4.35Å; W243-I443 HydrophobicContact CZ3-CG1 3.85Å; I439-I443 HydrophobicContact CG2-CD1 3.59Å; I439-I443 HydrophobicContact CG2-CG1 4.27Å; I439-I443 WeakPolarHBondContact O-CG1 3.4Å; I439-I443 PolarHBondContact O-N 3.41Å; I443-Y445 VanDerWaalsContact C-N 3.32Å; I443-Y445 PolarHBondContact O-N 3.41Å; I443-L446 WeakPolarHBondContact O-CB 3.23Å; I443-L446 PolarHBondContact O-N 2.96Å; I443-G447 PolarHBondContact O-N 3.17Å |
| 444 | S | 95.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | F208 G440 V441 G447 I448 | F208-S444 WeakPolarHBondContact CA-OG 3.46Å; G440-S444 WeakPolarHBondContact O-CB 3.36Å; G440-S444 PolarHBondContact O-N 3.01Å; G440-S444 PolarHBondContact O-OG 3.48Å; V441-S444 WeakPolarHBondContact CA-OG 3.4Å; V441-S444 PolarHBondContact O-OG 3.49Å; S444-G447 WeakPolarHBondContact O-CA 3.21Å; S444-G447 PolarHBondContact O-N 3.11Å; S444-I448 WeakPolarHBondContact O-CG1 3.19Å; S444-I448 PolarHBondContact O-N 2.88Å |
| 445 | Y | 95 | Very high | 93.7 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -36.8 | 178.8 | -162.3 | -90.2 | 0 | 0 | 0 | 114.2 | F208 I240 L244 W297 F300 I301 V441 G442 I443 G447 I448 T449 | F208-Y445 HydrophobicContact CD2-CD2 4.01Å; F208-Y445 HydrophobicContact CE1-CD2 4.26Å; F208-Y445 AromaticContact CE2-CD2 3.66Å; F208-Y445 HydrophobicContact CE2-CD2 3.66Å; F208-Y445 HydrophobicContact CE2-CG 4.34Å; F208-Y445 HydrophobicContact CG-CD2 4.49Å; F208-Y445 AromaticContact CZ-CD2 3.81Å; F208-Y445 HydrophobicContact CZ-CD2 3.81Å; F208-Y445 HydrophobicContact CZ-CE2 4.25Å; I240-Y445 HydrophobicContact CG2-CD1 3.35Å; I240-Y445 HydrophobicContact CG2-CD2 4.27Å; I240-Y445 HydrophobicContact CG2-CE1 3.68Å; I240-Y445 HydrophobicContact CG2-CG 3.67Å; L244-Y445 HydrophobicContact CD2-CD1 4.32Å; L244-Y445 HydrophobicContact CD2-CE1 4.15Å; W297-Y445 AromaticContact CH2-CE1 3.34Å; W297-Y445 HydrophobicContact CH2-CE1 3.34Å; W297-Y445 AromaticContact CH2-CZ 3.45Å; W297-Y445 VanDerWaalsContact CH2-CZ 3.45Å; W297-Y445 WeakPolarHBondContact CH2-OH 3.44Å; W297-Y445 HydrophobicContact CZ2-CD1 4.49Å; W297-Y445 AromaticContact CZ2-CE1 3.34Å; W297-Y445 HydrophobicContact CZ2-CE1 3.34Å; W297-Y445 AromaticContact CZ2-CZ 3.61Å; W297-Y445 WeakPolarHBondContact CZ2-OH 3.32Å; W297-Y445 VanDerWaalsContact CZ3-OH 3.3Å; W297-Y445 WeakPolarHBondContact CZ3-OH 3.48Å; F300-Y445 WeakPolarHBondContact CE1-OH 3.36Å; I301-Y445 HydrophobicContact CD1-CD2 4.3Å; I301-Y445 HydrophobicContact CD1-CE2 3.68Å; V441-Y445 VanDerWaalsContact O-CB 3.27Å; V441-Y445 WeakPolarHBondContact O-CB 3.46Å; V441-Y445 PolarHBondContact O-N 3.2Å; G442-Y445 PolarHBondContact O-N 3.12Å; I443-Y445 VanDerWaalsContact C-N 3.32Å; I443-Y445 PolarHBondContact O-N 3.41Å; Y445-G447 VanDerWaalsContact C-N 3.33Å; Y445-I448 HydrophobicContact CD2-CD1 4.34Å; Y445-I448 PolarHBondContact O-N 3.25Å; Y445-T449 PolarHBondContact O-N 3.38Å; Y445-T449 PolarHBondContact O-OG1 2.85Å |
| 446 | L | 95 | Very high | 93.6 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 167.7 | -82.8 | -170.3 | 0 | 0 | 0 | 111.9 | W243 L246 I247 G442 I443 I448 T449 V450 | W243-L446 HydrophobicContact CB-CD1 4.31Å; W243-L446 HydrophobicContact CB-CD2 4.43Å; W243-L446 HydrophobicContact CB-CG 4.04Å; W243-L446 HydrophobicContact CD2-CD1 4.45Å; W243-L446 HydrophobicContact CE3-CD1 3.52Å; W243-L446 HydrophobicContact CE3-CG 4.31Å; W243-L446 HydrophobicContact CZ3-CD1 4.23Å; W243-L446 VanDerWaalsContact O-CD2 3.3Å; W243-L446 WeakPolarHBondContact O-CD2 3.42Å; L246-L446 HydrophobicContact CB-CD1 4.41Å; I247-L446 HydrophobicContact CD1-CD2 3.66Å; I247-L446 HydrophobicContact CG1-CD2 3.38Å; G442-L446 PolarHBondContact O-N 3.36Å; I443-L446 WeakPolarHBondContact O-CB 3.23Å; I443-L446 PolarHBondContact O-N 2.96Å; L446-I448 PolarHBondContact O-N 3.03Å; L446-T449 PolarHBondContact O-N 3.39Å; L446-V450 WeakPolarHBondContact O-CG2 3.35Å; L446-V450 PolarHBondContact O-N 3.28Å |
| 447 | G | 94.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.7 | -52.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I443 S444 Y445 T449 V450 F451 | I443-G447 PolarHBondContact O-N 3.17Å; S444-G447 WeakPolarHBondContact O-CA 3.21Å; S444-G447 PolarHBondContact O-N 3.11Å; Y445-G447 VanDerWaalsContact C-N 3.33Å; G447-T449 VanDerWaalsContact C-N 3.31Å; G447-T449 PolarHBondContact O-N 2.97Å; G447-V450 PolarHBondContact O-N 3.49Å; G447-F451 VanDerWaalsContact C-CD2 3.5Å; G447-F451 WeakPolarHBondContact O-CB 3.28Å; G447-F451 WeakPolarHBondContact O-CD2 3.36Å; G447-F451 VanDerWaalsContact O-CG 3.31Å; G447-F451 WeakPolarHBondContact O-CG 3.31Å; G447-F451 PolarHBondContact O-N 2.55Å |
| 448 | I | 95.1 | Very high | 93 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.4 | -50.3 | 176.9 | -65.3 | 162.4 | 0 | 0 | 0 | 110.5 | F205 F208 S444 Y445 L446 M452 | F205-I448 HydrophobicContact CB-CD1 4.28Å; F205-I448 HydrophobicContact CB-CG1 4.28Å; F205-I448 HydrophobicContact CD2-CD1 3.97Å; F208-I448 HydrophobicContact CB-CD1 3.73Å; F208-I448 HydrophobicContact CD1-CD1 4.29Å; F208-I448 HydrophobicContact CG-CD1 4.04Å; S444-I448 WeakPolarHBondContact O-CG1 3.19Å; S444-I448 PolarHBondContact O-N 2.88Å; Y445-I448 HydrophobicContact CD2-CD1 4.34Å; Y445-I448 PolarHBondContact O-N 3.25Å; L446-I448 PolarHBondContact O-N 3.03Å; I448-M452 WeakPolarHBondContact O-CB 3.18Å; I448-M452 PolarHBondContact O-N 2.99Å |
| 449 | T | 94.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | -175.8 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | L244 I247 Y401 Y445 L446 G447 D453 | L244-T449 HydrophobicContact CD2-CG2 4.39Å; I247-T449 HydrophobicContact CD1-CG2 3.75Å; Y401-T449 HydrophobicContact CD1-CG2 3.92Å; Y401-T449 HydrophobicContact CD2-CG2 3.94Å; Y401-T449 HydrophobicContact CE1-CG2 3.61Å; Y401-T449 HydrophobicContact CE2-CG2 3.65Å; Y401-T449 HydrophobicContact CG-CG2 4.09Å; Y401-T449 VanDerWaalsContact CZ-CG2 3.47Å; Y445-T449 PolarHBondContact O-N 3.38Å; Y445-T449 PolarHBondContact O-OG1 2.85Å; L446-T449 PolarHBondContact O-N 3.39Å; G447-T449 VanDerWaalsContact C-N 3.31Å; G447-T449 PolarHBondContact O-N 2.97Å; T449-D453 PolarHBondContact O-N 2.96Å |
| 450 | V | 93.1 | Very high | 92.6 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 35% | 0.345 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.7 | -49.2 | -178.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L446 G447 M452 D453 M454 | L446-V450 WeakPolarHBondContact O-CG2 3.35Å; L446-V450 PolarHBondContact O-N 3.28Å; G447-V450 PolarHBondContact O-N 3.49Å; V450-M452 VanDerWaalsContact C-N 3.32Å; V450-M452 PolarHBondContact O-N 2.89Å; V450-D453 PolarHBondContact O-N 2.9Å; V450-M454 VanDerWaalsContact O-CG 3.3Å; V450-M454 WeakPolarHBondContact O-CG 3.38Å; V450-M454 PolarHBondContact O-N 3.39Å |
| 451 | F | 93.6 | Very high | 92.3 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69 | -32.6 | -177.2 | -61.9 | -52.1 | 0 | 0 | 0 | 112.2 | F200 I201 G447 M454 S455 | F200-F451 HydrophobicContact CB-CD1 4.19Å; F200-F451 HydrophobicContact CB-CD2 3.74Å; F200-F451 HydrophobicContact CB-CE1 4.22Å; F200-F451 HydrophobicContact CB-CE2 3.79Å; F200-F451 HydrophobicContact CB-CG 3.97Å; F200-F451 HydrophobicContact CB-CZ 4.03Å; F200-F451 HydrophobicContact CD1-CE2 4.27Å; F200-F451 HydrophobicContact CD1-CZ 4.13Å; F200-F451 HydrophobicContact CD2-CE1 4.34Å; F200-F451 HydrophobicContact CD2-CZ 4.49Å; F200-F451 HydrophobicContact CG-CE1 4.23Å; F200-F451 HydrophobicContact CG-CE2 4.18Å; F200-F451 AromaticContact CG-CZ 4Å; F200-F451 HydrophobicContact CG-CZ 4Å; I201-F451 HydrophobicContact CD1-CB 4.22Å; I201-F451 HydrophobicContact CG1-CB 3.41Å; I201-F451 VanDerWaalsContact CG1-CB 3.41Å; G447-F451 VanDerWaalsContact C-CD2 3.5Å; G447-F451 WeakPolarHBondContact O-CB 3.28Å; G447-F451 WeakPolarHBondContact O-CD2 3.36Å; G447-F451 VanDerWaalsContact O-CG 3.31Å; G447-F451 WeakPolarHBondContact O-CG 3.31Å; G447-F451 PolarHBondContact O-N 2.55Å; F451-M454 PolarHBondContact O-N 2.83Å; F451-S455 WeakPolarHBondContact O-CB 3.13Å; F451-S455 PolarHBondContact O-N 3.28Å |
| 452 | M | 91.9 | Very high | 92 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 175 | -172.6 | 60.5 | 164.6 | 0 | 0 | 112.2 | I448 V450 S455 C456 | I448-M452 WeakPolarHBondContact O-CB 3.18Å; I448-M452 PolarHBondContact O-N 2.99Å; V450-M452 VanDerWaalsContact C-N 3.32Å; V450-M452 PolarHBondContact O-N 2.89Å; M452-S455 PolarHBondContact O-N 3.33Å; M452-C456 PolarHBondContact O-N 2.81Å; M452-C456 PolarHBondContact O-SG 2.8Å |
| 453 | D | 91.7 | Very high | 91.8 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 174 | -173.1 | 62.6 | 0 | 0 | 0 | 111.2 | T449 V450 S455 C456 R457 | T449-D453 PolarHBondContact O-N 2.96Å; V450-D453 PolarHBondContact O-N 2.9Å; D453-S455 PolarHBondContact O-N 3.49Å; D453-C456 WeakPolarHBondContact O-CB 3.49Å; D453-C456 PolarHBondContact O-N 2.95Å; D453-C456 VanDerWaalsContact O-N 3.16Å; D453-R457 WeakPolarHBondContact O-CG 3.28Å; D453-R457 PolarHBondContact O-N 3.02Å; D453-R457 IonicContact OD1-CZ 2.82Å; D453-R457 IonicContact OD1-NE 3.56Å; D453-R457 IonicContact OD1-NH2 3.44Å; D453-R457 PolarHBondContact OD1-NH2 3.08Å; D453-R457 IonicContact OD2-CZ 3.43Å; D453-R457 VanDerWaalsContact OD2-CZ 3.28Å; D453-R457 IonicContact OD2-NE 3.63Å; D453-R457 PolarHBondContact OD2-NE 3.45Å; D453-R457 IonicContact OD2-NH2 3.29Å; D453-R457 PolarHBondContact OD2-NH2 2.87Å |
| 454 | M | 90.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 175.6 | -68.8 | -64.6 | 154.6 | 0 | 0 | 111.4 | W193 V394 V450 F451 C456 R457 K458 | W193-M454 HydrophobicContact CH2-CB 4.23Å; W193-M454 WeakPolarHBondContact CH2-O 3.23Å; W193-M454 HydrophobicContact CZ2-CB 4.24Å; V394-M454 HydrophobicContact CG1-CE 3.65Å; V394-M454 HydrophobicContact CG2-CE 4.33Å; V450-M454 VanDerWaalsContact O-CG 3.3Å; V450-M454 WeakPolarHBondContact O-CG 3.38Å; V450-M454 PolarHBondContact O-N 3.39Å; F451-M454 PolarHBondContact O-N 2.83Å; M454-C456 VanDerWaalsContact C-N 3.29Å; M454-C456 PolarHBondContact O-N 3.41Å; M454-R457 PolarHBondContact O-N 2.81Å; M454-R457 VanDerWaalsContact O-N 3.13Å; M454-K458 PolarHBondContact O-N 3.03Å |
| 455 | S | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | F451 M452 D453 R457 K458 S459 Q467 | F451-S455 WeakPolarHBondContact O-CB 3.13Å; F451-S455 PolarHBondContact O-N 3.28Å; M452-S455 PolarHBondContact O-N 3.33Å; D453-S455 PolarHBondContact O-N 3.49Å; S455-R457 PolarHBondContact O-N 2.93Å; S455-R457 VanDerWaalsContact O-N 3.15Å; S455-K458 PolarHBondContact O-N 3.26Å; S455-S459 WeakPolarHBondContact O-CA 3.1Å; S455-S459 WeakPolarHBondContact O-CB 3.4Å; S455-S459 PolarHBondContact O-N 3.04Å; S455-S459 PolarHBondContact OG-OG 2.91Å; S455-Q467 VanDerWaalsContact OG-CD 3.27Å; S455-Q467 PolarHBondContact OG-NE2 3.41Å; S455-Q467 PolarHBondContact OG-OE1 3.05Å |
| 456 | C | 89.3 | Confident | 91.3 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 31% | 0.311 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -28 | 178.1 | -76.1 | 0 | 0 | 0 | 0 | 114.5 | M452 D453 M454 | M452-C456 PolarHBondContact O-N 2.81Å; M452-C456 PolarHBondContact O-SG 2.8Å; D453-C456 WeakPolarHBondContact O-CB 3.49Å; D453-C456 PolarHBondContact O-N 2.95Å; D453-C456 VanDerWaalsContact O-N 3.16Å; M454-C456 VanDerWaalsContact C-N 3.29Å; M454-C456 PolarHBondContact O-N 3.41Å |
| 457 | R | 87.6 | Confident | 91.3 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -85.8 | -41 | -176.7 | -64.5 | 169.6 | -171.5 | -83.8 | -5.5 | 113.3 | P392 T393 V394 D453 M454 S455 | P392-R457 PolarHBondContact O-NH1 3.49Å; T393-R457 VanDerWaalsContact C-NH2 3.25Å; T393-R457 PolarHBondContact O-NH2 3Å; V394-R457 VanDerWaalsContact CG2-CZ 3.5Å; D453-R457 WeakPolarHBondContact O-CG 3.28Å; D453-R457 PolarHBondContact O-N 3.02Å; D453-R457 IonicContact OD1-CZ 2.82Å; D453-R457 IonicContact OD1-NE 3.56Å; D453-R457 IonicContact OD1-NH2 3.44Å; D453-R457 PolarHBondContact OD1-NH2 3.08Å; D453-R457 IonicContact OD2-CZ 3.43Å; D453-R457 VanDerWaalsContact OD2-CZ 3.28Å; D453-R457 IonicContact OD2-NE 3.63Å; D453-R457 PolarHBondContact OD2-NE 3.45Å; D453-R457 IonicContact OD2-NH2 3.29Å; D453-R457 PolarHBondContact OD2-NH2 2.87Å; M454-R457 PolarHBondContact O-N 2.81Å; M454-R457 VanDerWaalsContact O-N 3.13Å; S455-R457 PolarHBondContact O-N 2.93Å; S455-R457 VanDerWaalsContact O-N 3.15Å |
| 458 | K | 86.6 | Confident | 91.2 | Very high | 125 Ų | 125 | 48.6 Ų | 48.6 | 54% | 0.543 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -109.5 | -25.6 | -169.7 | -75.8 | 169.4 | 176.6 | 178 | 0 | 113.2 | W193 Y194 M454 S455 | W193-K458 HydrophobicContact CD2-CB 4.47Å; W193-K458 HydrophobicContact CD2-CD 4.09Å; W193-K458 HydrophobicContact CE3-CB 3.73Å; W193-K458 HydrophobicContact CE3-CD 4.18Å; W193-K458 HydrophobicContact CH2-CB 3.41Å; W193-K458 VanDerWaalsContact CH2-CB 3.41Å; W193-K458 HydrophobicContact CH2-CD 3.49Å; W193-K458 VanDerWaalsContact CH2-CD 3.49Å; W193-K458 HydrophobicContact CH2-CG 4.02Å; W193-K458 HydrophobicContact CZ2-CB 4.18Å; W193-K458 HydrophobicContact CZ2-CD 3.33Å; W193-K458 HydrophobicContact CZ2-CG 4.36Å; W193-K458 HydrophobicContact CZ3-CB 3.16Å; W193-K458 HydrophobicContact CZ3-CD 3.92Å; W193-K458 HydrophobicContact CZ3-CG 4.17Å; Y194-K458 VanDerWaalsContact CE1-O 3.23Å; Y194-K458 WeakPolarHBondContact CE1-O 3.25Å; Y194-K458 PolarHBondContact OH-O 3.38Å; Y194-K458 VanDerWaalsContact OH-O 3.13Å; M454-K458 PolarHBondContact O-N 3.03Å; S455-K458 PolarHBondContact O-N 3.26Å |
| 459 | S | 89 | Confident | 91.2 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -86.8 | 136.8 | -176.3 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | Y194 S455 R464 | Y194-S459 WeakPolarHBondContact CD1-OG 3.24Å; S455-S459 WeakPolarHBondContact O-CA 3.1Å; S455-S459 WeakPolarHBondContact O-CB 3.4Å; S455-S459 PolarHBondContact O-N 3.04Å; S455-S459 PolarHBondContact OG-OG 2.91Å; S459-R464 PolarHBondContact O-NE 2.96Å |
| 460 | K | 88.5 | Confident | 91.2 | Very high | 125 Ų | 125 | 49.7 Ų | 49.7 | 54% | 0.543 | 24% | 0.238 | S | C | . | . | trans | -59.7 | 149.4 | 170.9 | -67.1 | -179.4 | -178.3 | 173.9 | 0 | 109.9 | I462 I463 R464 | K460-I462 PolarHBondContact O-N 3.19Å; K460-I462 VanDerWaalsContact O-N 3.16Å; K460-I463 HydrophobicContact CB-CD1 4.43Å; K460-I463 PolarHBondContact O-N 2.93Å; K460-I463 VanDerWaalsContact O-N 3.15Å; K460-R464 PolarHBondContact O-N 2.94Å | ||
| 461 | R | 89.6 | Confident | 91.2 | Very high | 101 Ų | 101 | 47 Ų | 47 | 38% | 0.381 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.3 | -38.4 | -179.9 | 180 | 179.2 | 173.3 | -176.1 | -3.4 | 113.6 | R343 I463 R464 A465 | R343-R461 VanDerWaalsContact CD-NH2 3.32Å; R343-R461 VanDerWaalsContact CZ-NH2 3.25Å; R461-I463 VanDerWaalsContact C-N 3.32Å; R461-I463 PolarHBondContact O-N 2.95Å; R461-R464 PolarHBondContact O-N 3.41Å; R461-A465 PolarHBondContact O-N 3.44Å |
| 462 | I | 90 | Very high | 91.2 | Very high | 65 Ų | 65 | 44.7 Ų | 44.7 | 33% | 0.333 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.2 | -50.8 | -179.3 | -54.7 | 169.6 | 0 | 0 | 0 | 109.9 | K460 R464 A465 I466 A508 P510 | K460-I462 PolarHBondContact O-N 3.19Å; K460-I462 VanDerWaalsContact O-N 3.16Å; I462-R464 PolarHBondContact O-N 3.47Å; I462-A465 PolarHBondContact O-N 3.45Å; I462-I466 HydrophobicContact CG2-CD1 4.07Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 2.96Å; I462-A508 HydrophobicContact CG2-CB 4.35Å; I462-P510 HydrophobicContact CD1-CB 3.66Å; I462-P510 HydrophobicContact CD1-CG 3.84Å; I462-P510 HydrophobicContact CG1-CB 4.08Å |
| 463 | I | 91.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.205 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | -179.4 | -63.8 | 160.2 | 0 | 0 | 0 | 110 | Y194 K460 R461 A465 I466 Q467 | Y194-I463 HydrophobicContact CD1-CD1 4.13Å; Y194-I463 HydrophobicContact CD2-CD1 3.32Å; Y194-I463 HydrophobicContact CE2-CD1 3.8Å; Y194-I463 HydrophobicContact CG-CD1 3.5Å; K460-I463 HydrophobicContact CB-CD1 4.43Å; K460-I463 PolarHBondContact O-N 2.93Å; K460-I463 VanDerWaalsContact O-N 3.15Å; R461-I463 VanDerWaalsContact C-N 3.32Å; R461-I463 PolarHBondContact O-N 2.95Å; I463-A465 PolarHBondContact O-N 2.9Å; I463-I466 PolarHBondContact O-N 3.47Å; I463-Q467 HydrophobicContact CG2-CG 4.36Å; I463-Q467 WeakPolarHBondContact O-CG 3.34Å; I463-Q467 PolarHBondContact O-N 3.17Å |
| 464 | R | 90.7 | Very high | 91.4 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -28.6 | 177.4 | -62.8 | -169.4 | -65.3 | 139.6 | -4 | 114.1 | S459 K460 R461 I462 | S459-R464 PolarHBondContact O-NE 2.96Å; K460-R464 PolarHBondContact O-N 2.94Å; R461-R464 PolarHBondContact O-N 3.41Å; I462-R464 PolarHBondContact O-N 3.47Å |
| 465 | A | 92.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 45 Ų | 45 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.3 | -25.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P324 R461 I462 I463 A508 | P324-A465 HydrophobicContact CB-CB 4.25Å; R461-A465 PolarHBondContact O-N 3.44Å; I462-A465 PolarHBondContact O-N 3.45Å; I463-A465 PolarHBondContact O-N 2.9Å; A465-A508 HydrophobicContact CB-CB 3.98Å |
| 466 | I | 92.9 | Very high | 91.6 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -91.1 | -21.2 | -180 | -64.9 | 170.6 | 0 | 0 | 0 | 111.6 | I462 I463 L469 C470 A508 | I462-I466 HydrophobicContact CG2-CD1 4.07Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 2.96Å; I463-I466 PolarHBondContact O-N 3.47Å; I466-L469 WeakPolarHBondContact O-CA 3.31Å; I466-L469 WeakPolarHBondContact O-CB 3.2Å; I466-L469 PolarHBondContact O-N 3.32Å; I466-C470 PolarHBondContact O-N 3.22Å; I466-C470 PolarHBondContact O-SG 3.08Å; I466-A508 HydrophobicContact CD1-CB 3.83Å; I466-A508 HydrophobicContact CG1-CB 3.55Å |
| 467 | Q | 93.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -51.2 | -177.6 | -87.9 | 171.9 | -19.8 | 0 | 0 | 114.5 | T198 S202 S455 I463 L469 C470 | T198-Q467 HydrophobicContact CG2-CG 3.89Å; T198-Q467 PolarHBondContact OG1-NE2 3.41Å; T198-Q467 VanDerWaalsContact OG1-NE2 3.16Å; S202-Q467 PolarHBondContact OG-O 2.89Å; S455-Q467 VanDerWaalsContact OG-CD 3.27Å; S455-Q467 PolarHBondContact OG-NE2 3.41Å; S455-Q467 PolarHBondContact OG-OE1 3.05Å; I463-Q467 HydrophobicContact CG2-CG 4.36Å; I463-Q467 WeakPolarHBondContact O-CG 3.34Å; I463-Q467 PolarHBondContact O-N 3.17Å; Q467-L469 PolarHBondContact O-N 3.46Å; Q467-C470 WeakPolarHBondContact O-CB 3.45Å; Q467-C470 PolarHBondContact O-N 3.21Å; Q467-C470 VanDerWaalsContact O-N 3.12Å |
| 468 | P | 93.2 | Very high | 92 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -62.1 | -30 | 176.1 | -25.6 | 37.5 | 0 | 0 | 0 | 113.3 | P324 C470 A471 | P324-P468 HydrophobicContact CG-CG 3.87Å; P468-C470 VanDerWaalsContact C-N 3.27Å; P468-C470 PolarHBondContact O-N 3.04Å; P468-A471 WeakPolarHBondContact O-CB 3.37Å; P468-A471 PolarHBondContact O-N 2.94Å |
| 469 | L | 95.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -66.9 | -28.5 | 177.4 | -170.9 | 70.5 | 0 | 0 | 0 | 112.3 | A321 I466 Q467 A471 L472 P473 T501 C504 L505 | A321-L469 HydrophobicContact CB-CD1 4.11Å; I466-L469 WeakPolarHBondContact O-CA 3.31Å; I466-L469 WeakPolarHBondContact O-CB 3.2Å; I466-L469 PolarHBondContact O-N 3.32Å; Q467-L469 PolarHBondContact O-N 3.46Å; L469-A471 PolarHBondContact O-N 2.85Å; L469-L472 HydrophobicContact CD1-CD1 3.78Å; L469-L472 WeakPolarHBondContact O-CB 3.24Å; L469-L472 PolarHBondContact O-N 3.35Å; L469-P473 WeakPolarHBondContact O-CD 3.36Å; L469-T501 HydrophobicContact CD1-CG2 3.85Å; L469-C504 HydrophobicContact CB-CB 4.43Å; L469-C504 HydrophobicContact CD1-CB 3.9Å; L469-C504 HydrophobicContact CD2-CB 3.97Å; L469-C504 HydrophobicContact CG-CB 4.34Å; L469-L505 HydrophobicContact CD2-CD2 4.32Å; L469-L505 HydrophobicContact CD2-CG 4.36Å |
| 470 | C | 93.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 24% | 0.243 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -69.5 | -18.2 | 179.6 | -62.5 | 0 | 0 | 0 | 0 | 112.9 | T198 S202 I466 Q467 P468 L472 P473 I474 | T198-C470 HydrophobicContact CG2-CB 4.24Å; S202-C470 VanDerWaalsContact OG-CB 3.31Å; S202-C470 WeakPolarHBondContact OG-CB 3.25Å; I466-C470 PolarHBondContact O-N 3.22Å; I466-C470 PolarHBondContact O-SG 3.08Å; Q467-C470 WeakPolarHBondContact O-CB 3.45Å; Q467-C470 PolarHBondContact O-N 3.21Å; Q467-C470 VanDerWaalsContact O-N 3.12Å; P468-C470 VanDerWaalsContact C-N 3.27Å; P468-C470 PolarHBondContact O-N 3.04Å; C470-L472 VanDerWaalsContact C-N 3.34Å; C470-P473 WeakPolarHBondContact O-CD 3.44Å; C470-P473 WeakPolarHBondContact O-CG 3.32Å; C470-I474 VanDerWaalsContact O-CD1 3.3Å; C470-I474 WeakPolarHBondContact O-CD1 3.42Å; C470-I474 VanDerWaalsContact O-CG1 3.28Å; C470-I474 WeakPolarHBondContact O-CG1 3.26Å |
| 471 | A | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F205 V206 A317 P468 L469 I474 C475 | F205-A471 HydrophobicContact CD1-CB 3.38Å; F205-A471 HydrophobicContact CE1-CB 3.79Å; F205-A471 HydrophobicContact CG-CB 4.5Å; V206-A471 HydrophobicContact CG2-CB 4.24Å; A317-A471 HydrophobicContact CB-CB 4.48Å; P468-A471 WeakPolarHBondContact O-CB 3.37Å; P468-A471 PolarHBondContact O-N 2.94Å; L469-A471 PolarHBondContact O-N 2.85Å; A471-I474 PolarHBondContact O-N 2.98Å; A471-C475 PolarHBondContact O-N 2.63Å; A471-C475 PolarHBondContact O-SG 3.18Å; A471-C475 VanDerWaalsContact O-SG 3.4Å |
| 472 | L | 94.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.9 | -58.4 | -180 | -82.2 | 177.2 | 0 | 0 | 0 | 114.1 | A317 A318 A321 L469 C470 I474 C475 I476 L497 T501 | A317-L472 HydrophobicContact CB-CD2 3.88Å; A317-L472 HydrophobicContact CB-CG 4.43Å; A318-L472 VanDerWaalsContact CA-CD2 3.43Å; A318-L472 HydrophobicContact CB-CD2 3.72Å; A318-L472 VanDerWaalsContact N-CD2 3.25Å; A321-L472 HydrophobicContact CB-CD1 4.14Å; L469-L472 HydrophobicContact CD1-CD1 3.78Å; L469-L472 WeakPolarHBondContact O-CB 3.24Å; L469-L472 PolarHBondContact O-N 3.35Å; C470-L472 VanDerWaalsContact C-N 3.34Å; L472-I474 VanDerWaalsContact C-N 3.26Å; L472-I474 PolarHBondContact O-N 3.29Å; L472-C475 PolarHBondContact O-N 3.32Å; L472-I476 WeakPolarHBondContact O-CG1 3.49Å; L472-I476 PolarHBondContact O-N 3.1Å; L472-I476 VanDerWaalsContact O-N 3.13Å; L472-L497 HydrophobicContact CD2-CD2 4.33Å; L472-T501 HydrophobicContact CD1-CG2 4.13Å |
| 473 | P | 94.1 | Very high | 92.1 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -31.5 | 179.5 | 26 | -35 | 0 | 0 | 0 | 112.2 | L469 C470 I476 V477 | L469-P473 WeakPolarHBondContact O-CD 3.36Å; C470-P473 WeakPolarHBondContact O-CD 3.44Å; C470-P473 WeakPolarHBondContact O-CG 3.32Å; P473-I476 PolarHBondContact O-N 2.84Å; P473-V477 WeakPolarHBondContact O-CB 3.44Å; P473-V477 VanDerWaalsContact O-CG2 3.23Å; P473-V477 WeakPolarHBondContact O-CG2 3.1Å; P473-V477 PolarHBondContact O-N 3.06Å |
| 474 | I | 93 | Very high | 91.8 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 178.5 | -62.7 | 170.4 | 0 | 0 | 0 | 110.6 | V206 C470 A471 L472 I476 V477 Y478 | V206-I474 HydrophobicContact CB-CG2 4.14Å; V206-I474 HydrophobicContact CG1-CG2 4.19Å; V206-I474 HydrophobicContact CG2-CB 3.81Å; V206-I474 HydrophobicContact CG2-CG2 3.58Å; C470-I474 VanDerWaalsContact O-CD1 3.3Å; C470-I474 WeakPolarHBondContact O-CD1 3.42Å; C470-I474 VanDerWaalsContact O-CG1 3.28Å; C470-I474 WeakPolarHBondContact O-CG1 3.26Å; A471-I474 PolarHBondContact O-N 2.98Å; L472-I474 VanDerWaalsContact C-N 3.26Å; L472-I474 PolarHBondContact O-N 3.29Å; I474-I476 PolarHBondContact O-N 2.93Å; I474-V477 PolarHBondContact O-N 3.21Å; I474-Y478 VanDerWaalsContact O-CB 3.29Å; I474-Y478 WeakPolarHBondContact O-CB 3.39Å; I474-Y478 PolarHBondContact O-N 3.43Å |
| 475 | C | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.2 | -71.3 | 0 | 0 | 0 | 0 | 111.6 | V206 I314 A471 L472 V477 Y478 E479 | V206-C475 VanDerWaalsContact CG2-SG 3.56Å; I314-C475 HydrophobicContact CG1-CB 4.32Å; A471-C475 PolarHBondContact O-N 2.63Å; A471-C475 PolarHBondContact O-SG 3.18Å; A471-C475 VanDerWaalsContact O-SG 3.4Å; L472-C475 PolarHBondContact O-N 3.32Å; C475-V477 PolarHBondContact O-N 3.47Å; C475-Y478 PolarHBondContact O-N 2.95Å; C475-E479 WeakPolarHBondContact O-CB 3.4Å; C475-E479 VanDerWaalsContact O-CG 3.3Å; C475-E479 WeakPolarHBondContact O-CG 3.35Å; C475-E479 PolarHBondContact O-N 3.47Å |
| 476 | I | 92.7 | Very high | 90.9 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 28% | 0.277 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.2 | -66.5 | 166.1 | 0 | 0 | 0 | 111 | I314 L472 P473 I474 L480 L487 | I314-I476 HydrophobicContact CD1-CG1 4.16Å; I314-I476 HydrophobicContact CG1-CG1 4.19Å; I314-I476 HydrophobicContact CG2-CG1 4.21Å; L472-I476 WeakPolarHBondContact O-CG1 3.49Å; L472-I476 PolarHBondContact O-N 3.1Å; L472-I476 VanDerWaalsContact O-N 3.13Å; P473-I476 PolarHBondContact O-N 2.84Å; I474-I476 PolarHBondContact O-N 2.93Å; I476-L480 HydrophobicContact CG2-CD1 3.71Å; I476-L480 WeakPolarHBondContact O-CB 3.48Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 3.05Å; I476-L487 HydrophobicContact CG2-CD2 4.26Å |
| 477 | V | 92.6 | Very high | 90.4 | Very high | 77 Ų | 77 | 68.9 Ų | 68.9 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.2 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | P473 I474 C475 L480 F481 | P473-V477 WeakPolarHBondContact O-CB 3.44Å; P473-V477 VanDerWaalsContact O-CG2 3.23Å; P473-V477 WeakPolarHBondContact O-CG2 3.1Å; P473-V477 PolarHBondContact O-N 3.06Å; I474-V477 PolarHBondContact O-N 3.21Å; C475-V477 PolarHBondContact O-N 3.47Å; V477-L480 PolarHBondContact O-N 3.34Å; V477-F481 HydrophobicContact CB-CD2 4.3Å; V477-F481 HydrophobicContact CG1-CD2 3.71Å; V477-F481 HydrophobicContact CG1-CE2 4.27Å; V477-F481 VanDerWaalsContact O-CB 3.32Å; V477-F481 WeakPolarHBondContact O-CB 3.46Å; V477-F481 WeakPolarHBondContact O-CD2 3.34Å; V477-F481 PolarHBondContact O-N 3.34Å |
| 478 | Y | 91.5 | Very high | 89.9 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -61.5 | -46.7 | 178.3 | 178.8 | -100.8 | 0 | 0 | 0 | 112.1 | E210 I474 C475 W482 M483 | E210-Y478 HydrophobicContact CB-CE1 4.3Å; E210-Y478 HydrophobicContact CG-CD1 3.85Å; E210-Y478 HydrophobicContact CG-CE1 3.67Å; I474-Y478 VanDerWaalsContact O-CB 3.29Å; I474-Y478 WeakPolarHBondContact O-CB 3.39Å; I474-Y478 PolarHBondContact O-N 3.43Å; C475-Y478 PolarHBondContact O-N 2.95Å; Y478-W482 HydrophobicContact CD2-CB 3.78Å; Y478-W482 HydrophobicContact CD2-CG 4.17Å; Y478-W482 HydrophobicContact CE2-CB 3.89Å; Y478-W482 HydrophobicContact CE2-CG 4.01Å; Y478-W482 HydrophobicContact CG-CB 4.42Å; Y478-W482 WeakPolarHBondContact O-CA 3.4Å; Y478-W482 WeakPolarHBondContact O-CB 3.43Å; Y478-W482 PolarHBondContact O-N 2.82Å; Y478-M483 HydrophobicContact CD1-CG 4.3Å; Y478-M483 HydrophobicContact CE1-CG 3.78Å; Y478-M483 HydrophobicContact CE1-SD 4.42Å; Y478-M483 PolarHBondContact O-N 2.94Å; Y478-M483 VanDerWaalsContact O-N 3.1Å |
| 479 | E | 90.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | I | π-helix | trans | -65.4 | -40.6 | 179.3 | -72.3 | -81.3 | -156.6 | 0 | 0 | 112.5 | I314 C475 K484 R485 L487 | I314-E479 HydrophobicContact CD1-CG 4.4Å; C475-E479 WeakPolarHBondContact O-CB 3.4Å; C475-E479 VanDerWaalsContact O-CG 3.3Å; C475-E479 WeakPolarHBondContact O-CG 3.35Å; C475-E479 PolarHBondContact O-N 3.47Å; E479-K484 PolarHBondContact O-N 2.84Å; E479-R485 PolarHBondContact O-N 3.07Å; E479-R485 IonicContact OE1-CZ 2.79Å; E479-R485 IonicContact OE1-NH1 3.92Å; E479-R485 PolarHBondContact OE1-NH1 3.33Å; E479-R485 IonicContact OE1-NH2 3.28Å; E479-R485 IonicContact OE2-CZ 3.07Å; E479-R485 IonicContact OE2-NE 2.9Å; E479-R485 PolarHBondContact OE2-NE 3.33Å; E479-R485 IonicContact OE2-NH1 2.79Å; E479-R485 PolarHBondContact OE2-NH1 3.13Å; E479-R485 IonicContact OE2-NH2 3.79Å; E479-L487 HydrophobicContact CB-CD1 3.98Å |
| 480 | L | 90.7 | Very high | 89.4 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -74.3 | -49.5 | 179.2 | -75 | 169 | 0 | 0 | 0 | 113.1 | I476 V477 K484 L487 | I476-L480 HydrophobicContact CG2-CD1 3.71Å; I476-L480 WeakPolarHBondContact O-CB 3.48Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 3.05Å; V477-L480 PolarHBondContact O-N 3.34Å; L480-K484 WeakPolarHBondContact O-CA 3.24Å; L480-L487 HydrophobicContact CD1-CD2 4.49Å; L480-L487 HydrophobicContact CD2-CB 4.5Å; L480-L487 HydrophobicContact CD2-CD1 3.63Å; L480-L487 HydrophobicContact CD2-CD2 4.31Å; L480-L487 HydrophobicContact CD2-CG 4.36Å; L480-L487 HydrophobicContact CG-CD1 3.84Å; L480-L487 HydrophobicContact CG-CD2 4.11Å |
| 481 | F | 89.8 | Confident | 89.4 | Confident | 150 Ų | 150 | 80.2 Ų | 80.2 | 66% | 0.658 | 40% | 0.399 | S | S | * | . | I | π-helix | trans | -89.5 | -40.5 | -170.5 | -72.9 | -84.9 | 0 | 0 | 0 | 113 | V477 | V477-F481 HydrophobicContact CB-CD2 4.3Å; V477-F481 HydrophobicContact CG1-CD2 3.71Å; V477-F481 HydrophobicContact CG1-CE2 4.27Å; V477-F481 VanDerWaalsContact O-CB 3.32Å; V477-F481 WeakPolarHBondContact O-CB 3.46Å; V477-F481 WeakPolarHBondContact O-CD2 3.34Å; V477-F481 PolarHBondContact O-N 3.34Å |
| 482 | W | 88.9 | Confident | 89.5 | Confident | 205 Ų | 205 | 82.8 Ų | 82.8 | 78% | 0.777 | 42% | 0.415 | S | S | * | . | I | π-helix | trans | -91 | -49.3 | -173 | -132.8 | -86.3 | 0 | 0 | 0 | 111.9 | Y478 K484 | Y478-W482 HydrophobicContact CD2-CB 3.78Å; Y478-W482 HydrophobicContact CD2-CG 4.17Å; Y478-W482 HydrophobicContact CE2-CB 3.89Å; Y478-W482 HydrophobicContact CE2-CG 4.01Å; Y478-W482 HydrophobicContact CG-CB 4.42Å; Y478-W482 WeakPolarHBondContact O-CA 3.4Å; Y478-W482 WeakPolarHBondContact O-CB 3.43Å; Y478-W482 PolarHBondContact O-N 2.82Å; W482-K484 VanDerWaalsContact C-N 3.34Å |
| 483 | M | 86.8 | Confident | 89.5 | Confident | 95 Ų | 95 | 82.8 Ų | 82.8 | 47% | 0.468 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -82.1 | -13.9 | 179 | -65.8 | -62.9 | -71.9 | 0 | 0 | 113.1 | Y478 R485 | Y478-M483 HydrophobicContact CD1-CG 4.3Å; Y478-M483 HydrophobicContact CE1-CG 3.78Å; Y478-M483 HydrophobicContact CE1-SD 4.42Å; Y478-M483 PolarHBondContact O-N 2.94Å; Y478-M483 VanDerWaalsContact O-N 3.1Å; M483-R485 HydrophobicContact CB-CB 4.4Å; M483-R485 PolarHBondContact O-N 2.9Å; M483-R485 VanDerWaalsContact O-N 3.12Å |
| 484 | K | 85 | Confident | 89.6 | Confident | 180 Ų | 180 | 83.1 Ų | 83.1 | 78% | 0.783 | 41% | 0.412 | S | S | * | . | trans | 50.4 | 33.1 | -174.6 | -60.1 | -176.9 | 179.4 | -179.8 | 0 | 112.5 | E479 L480 W482 | E479-K484 PolarHBondContact O-N 2.84Å; L480-K484 WeakPolarHBondContact O-CA 3.24Å; W482-K484 VanDerWaalsContact C-N 3.34Å | ||
| 485 | R | 83 | Confident | 89.8 | Confident | 114 Ų | 114 | 83 Ų | 83 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | trans | -78.9 | 136.1 | -179 | -171.7 | -178.1 | -69.5 | 162.2 | 9.2 | 109.2 | E479 M483 L487 | E479-R485 PolarHBondContact O-N 3.07Å; E479-R485 IonicContact OE1-CZ 2.79Å; E479-R485 IonicContact OE1-NH1 3.92Å; E479-R485 PolarHBondContact OE1-NH1 3.33Å; E479-R485 IonicContact OE1-NH2 3.28Å; E479-R485 IonicContact OE2-CZ 3.07Å; E479-R485 IonicContact OE2-NE 2.9Å; E479-R485 PolarHBondContact OE2-NE 3.33Å; E479-R485 IonicContact OE2-NH1 2.79Å; E479-R485 PolarHBondContact OE2-NH1 3.13Å; E479-R485 IonicContact OE2-NH2 3.79Å; M483-R485 HydrophobicContact CB-CB 4.4Å; M483-R485 PolarHBondContact O-N 2.9Å; M483-R485 VanDerWaalsContact O-N 3.12Å; R485-L487 HydrophobicContact CB-CD1 4.49Å; R485-L487 VanDerWaalsContact O-CD1 3.24Å; R485-L487 WeakPolarHBondContact O-CD1 3.43Å; R485-L487 PolarHBondContact O-N 3.16Å | ||
| 486 | I | 81.5 | Confident | 89.9 | Confident | 151 Ų | 151 | 83 Ų | 83 | 77% | 0.774 | 42% | 0.417 | S | S | * | . | trans | -74.2 | 116.2 | 170.3 | -142.2 | 110.5 | 0 | 0 | 0 | 108 | T488 | I486-T488 HydrophobicContact CG2-CG2 4.24Å; I486-T488 PolarHBondContact O-N 3.15Å | ||
| 487 | L | 82.6 | Confident | 90.1 | Very high | 46 Ų | 46 | 81.7 Ų | 81.7 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | trans | -83.4 | 97.8 | 179 | -86.5 | 66.7 | 0 | 0 | 0 | 109.4 | I314 I476 E479 L480 R485 M489 | I314-L487 HydrophobicContact CD1-CD2 3.63Å; I314-L487 HydrophobicContact CD1-CG 4.23Å; I476-L487 HydrophobicContact CG2-CD2 4.26Å; E479-L487 HydrophobicContact CB-CD1 3.98Å; L480-L487 HydrophobicContact CD1-CD2 4.49Å; L480-L487 HydrophobicContact CD2-CB 4.5Å; L480-L487 HydrophobicContact CD2-CD1 3.63Å; L480-L487 HydrophobicContact CD2-CD2 4.31Å; L480-L487 HydrophobicContact CD2-CG 4.36Å; L480-L487 HydrophobicContact CG-CD1 3.84Å; L480-L487 HydrophobicContact CG-CD2 4.11Å; R485-L487 HydrophobicContact CB-CD1 4.49Å; R485-L487 VanDerWaalsContact O-CD1 3.24Å; R485-L487 WeakPolarHBondContact O-CD1 3.43Å; R485-L487 PolarHBondContact O-N 3.16Å; L487-M489 HydrophobicContact CB-CE 3.9Å; L487-M489 HydrophobicContact CB-CG 4.25Å; L487-M489 HydrophobicContact CD2-CE 3.85Å; L487-M489 HydrophobicContact CG-CE 3.65Å; L487-M489 PolarHBondContact O-N 3.3Å | ||
| 488 | T | 82.8 | Confident | 90.4 | Very high | 123 Ų | 123 | 82.7 Ų | 82.7 | 76% | 0.755 | 41% | 0.412 | S | S | * | . | trans | -86.2 | 89.6 | 167.9 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | I486 | I486-T488 HydrophobicContact CG2-CG2 4.24Å; I486-T488 PolarHBondContact O-N 3.15Å | ||
| 489 | M | 86 | Confident | 90.6 | Very high | 56 Ų | 56 | 81.9 Ų | 81.9 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | trans | -96.8 | 129.7 | 179.3 | -60.8 | -70 | 150.1 | 0 | 0 | 110.3 | I314 L487 Q493 I494 | I314-M489 HydrophobicContact CD1-CE 3.55Å; L487-M489 HydrophobicContact CB-CE 3.9Å; L487-M489 HydrophobicContact CB-CG 4.25Å; L487-M489 HydrophobicContact CD2-CE 3.85Å; L487-M489 HydrophobicContact CG-CE 3.65Å; L487-M489 PolarHBondContact O-N 3.3Å; M489-Q493 HydrophobicContact SD-CG 4.41Å; M489-Q493 PolarHBondContact SD-NE2 2.86Å; M489-Q493 PolarHBondContact SD-OE1 2.92Å; M489-I494 HydrophobicContact CB-CD1 4.12Å; M489-I494 HydrophobicContact CB-CG1 3.93Å | ||
| 490 | S | 91.2 | Very high | 91 | Very high | 45 Ų | 45 | 81.8 Ų | 81.8 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | trans | -64.4 | 149.1 | 172.8 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | V492 Q493 I494 | S490-V492 PolarHBondContact O-N 3.41Å; S490-V492 PolarHBondContact OG-N 2.96Å; S490-Q493 WeakPolarHBondContact O-CB 3.38Å; S490-Q493 PolarHBondContact O-N 3.47Å; S490-I494 WeakPolarHBondContact O-CG1 3.49Å; S490-I494 PolarHBondContact O-N 2.97Å | ||
| 491 | S | 93.9 | Very high | 91.3 | Very high | 87 Ų | 87 | 80 Ų | 80 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.4 | -34.7 | 175.1 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | S495 | S491-S495 PolarHBondContact O-N 3.15Å; S491-S495 PolarHBondContact O-OG 3.11Å |
| 492 | V | 95.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 77.8 Ų | 77.8 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.3 | -179 | 0 | 0 | 0 | 0 | 110.6 | L356 S490 S495 S496 | L356-V492 HydrophobicContact CD2-CG1 4.42Å; S490-V492 PolarHBondContact O-N 3.41Å; S490-V492 PolarHBondContact OG-N 2.96Å; V492-S495 WeakPolarHBondContact O-CB 3.47Å; V492-S495 PolarHBondContact O-N 2.82Å; V492-S496 PolarHBondContact O-N 3.4Å |
| 493 | Q | 95 | Very high | 92.1 | Very high | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 177.5 | -169 | -177.9 | 9 | 0 | 0 | 110.8 | D315 M489 S490 S495 S496 L497 | D315-Q493 VanDerWaalsContact CG-NE2 3.35Å; D315-Q493 PolarHBondContact OD1-NE2 2.87Å; D315-Q493 PolarHBondContact OD2-NE2 3.28Å; M489-Q493 HydrophobicContact SD-CG 4.41Å; M489-Q493 PolarHBondContact SD-NE2 2.86Å; M489-Q493 PolarHBondContact SD-OE1 2.92Å; S490-Q493 WeakPolarHBondContact O-CB 3.38Å; S490-Q493 PolarHBondContact O-N 3.47Å; Q493-S495 VanDerWaalsContact C-N 3.31Å; Q493-S495 PolarHBondContact O-N 3.06Å; Q493-S496 WeakPolarHBondContact O-CB 3.41Å; Q493-S496 PolarHBondContact O-N 3.03Å; Q493-S496 VanDerWaalsContact O-N 3.11Å; Q493-S496 PolarHBondContact O-OG 3.41Å; Q493-L497 WeakPolarHBondContact O-CG 3.48Å; Q493-L497 PolarHBondContact O-N 3.39Å |
| 494 | I | 95.5 | Very high | 92.5 | Very high | 78 Ų | 78 | 63.5 Ų | 63.5 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.1 | -64.1 | 161.3 | 0 | 0 | 0 | 110.8 | M489 S490 S496 L497 I498 | M489-I494 HydrophobicContact CB-CD1 4.12Å; M489-I494 HydrophobicContact CB-CG1 3.93Å; S490-I494 WeakPolarHBondContact O-CG1 3.49Å; S490-I494 PolarHBondContact O-N 2.97Å; I494-S496 VanDerWaalsContact C-N 3.3Å; I494-S496 PolarHBondContact O-N 3.22Å; I494-L497 PolarHBondContact O-N 3.11Å; I494-I498 HydrophobicContact CG2-CD1 3.96Å; I494-I498 WeakPolarHBondContact O-CG1 3.4Å; I494-I498 PolarHBondContact O-N 3.37Å |
| 495 | S | 96.7 | Very high | 93 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.7 | -58 | 0 | 0 | 0 | 0 | 112 | S491 V492 Q493 I498 L499 | S491-S495 PolarHBondContact O-N 3.15Å; S491-S495 PolarHBondContact O-OG 3.11Å; V492-S495 WeakPolarHBondContact O-CB 3.47Å; V492-S495 PolarHBondContact O-N 2.82Å; Q493-S495 VanDerWaalsContact C-N 3.31Å; Q493-S495 PolarHBondContact O-N 3.06Å; S495-I498 PolarHBondContact O-N 3.29Å; S495-L499 WeakPolarHBondContact O-CG 3.34Å; S495-L499 PolarHBondContact O-N 2.99Å |
| 496 | S | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.7 | 81.5 | 0 | 0 | 0 | 0 | 112.3 | G353 N357 V492 Q493 I494 L499 I500 | G353-S496 WeakPolarHBondContact O-CB 3.11Å; N357-S496 WeakPolarHBondContact CB-OG 3.4Å; N357-S496 PolarHBondContact ND2-OG 3.04Å; V492-S496 PolarHBondContact O-N 3.4Å; Q493-S496 WeakPolarHBondContact O-CB 3.41Å; Q493-S496 PolarHBondContact O-N 3.03Å; Q493-S496 VanDerWaalsContact O-N 3.11Å; Q493-S496 PolarHBondContact O-OG 3.41Å; I494-S496 VanDerWaalsContact C-N 3.3Å; I494-S496 PolarHBondContact O-N 3.22Å; S496-L499 PolarHBondContact O-N 2.6Å; S496-I500 WeakPolarHBondContact O-CB 3.35Å; S496-I500 VanDerWaalsContact O-CG1 3.3Å; S496-I500 WeakPolarHBondContact O-CG1 3.11Å; S496-I500 PolarHBondContact O-N 3.35Å |
| 497 | L | 97 | Very high | 94.2 | Very high | 26 Ų | 26 | 48 Ų | 48 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.8 | -63.6 | 177 | 0 | 0 | 0 | 111.3 | I314 A318 L472 Q493 I494 I500 T501 | I314-L497 HydrophobicContact CG2-CD1 4.27Å; A318-L497 HydrophobicContact CB-CD2 3.43Å; A318-L497 VanDerWaalsContact CB-CD2 3.43Å; L472-L497 HydrophobicContact CD2-CD2 4.33Å; Q493-L497 WeakPolarHBondContact O-CG 3.48Å; Q493-L497 PolarHBondContact O-N 3.39Å; I494-L497 PolarHBondContact O-N 3.11Å; L497-I500 PolarHBondContact O-N 2.9Å; L497-T501 WeakPolarHBondContact O-CB 3.31Å; L497-T501 WeakPolarHBondContact O-CG2 3.39Å; L497-T501 PolarHBondContact O-N 3.01Å; L497-T501 PolarHBondContact O-OG1 2.94Å |
| 498 | I | 96.9 | Very high | 94.7 | Very high | 99 Ų | 99 | 46.1 Ų | 46.1 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.1 | -65.2 | 166.2 | 0 | 0 | 0 | 110.7 | I494 S495 T501 M502 | I494-I498 HydrophobicContact CG2-CD1 3.96Å; I494-I498 WeakPolarHBondContact O-CG1 3.4Å; I494-I498 PolarHBondContact O-N 3.37Å; S495-I498 PolarHBondContact O-N 3.29Å; I498-T501 WeakPolarHBondContact CA-OG1 3.36Å; I498-T501 PolarHBondContact O-N 3.06Å; I498-T501 PolarHBondContact O-OG1 3.16Å; I498-M502 HydrophobicContact CG2-CG 4.48Å; I498-M502 WeakPolarHBondContact O-CB 3.49Å; I498-M502 VanDerWaalsContact O-CG 3.26Å; I498-M502 WeakPolarHBondContact O-CG 3.46Å; I498-M502 PolarHBondContact O-N 2.67Å |
| 499 | L | 97.5 | Very high | 95 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.3 | -43 | 177.9 | -74.6 | 170.7 | 0 | 0 | 0 | 112.6 | M349 L356 S495 S496 A503 | M349-L499 HydrophobicContact CG-CD2 4.31Å; L356-L499 HydrophobicContact CD1-CD1 3.36Å; S495-L499 WeakPolarHBondContact O-CG 3.34Å; S495-L499 PolarHBondContact O-N 2.99Å; S496-L499 PolarHBondContact O-N 2.6Å; L499-A503 VanDerWaalsContact O-CB 3.26Å; L499-A503 WeakPolarHBondContact O-CB 3.44Å; L499-A503 PolarHBondContact O-N 3.31Å |
| 500 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -46 | 176.5 | -72.1 | 169.2 | 0 | 0 | 0 | 110.9 | A318 A321 V322 V354 S496 L497 A503 C504 | A318-I500 HydrophobicContact CB-CD1 4.03Å; A321-I500 HydrophobicContact CB-CG2 4.17Å; V322-I500 HydrophobicContact CG2-CG1 4.27Å; V322-I500 HydrophobicContact CG2-CG2 3.9Å; V354-I500 HydrophobicContact CG2-CD1 4.29Å; S496-I500 WeakPolarHBondContact O-CB 3.35Å; S496-I500 VanDerWaalsContact O-CG1 3.3Å; S496-I500 WeakPolarHBondContact O-CG1 3.11Å; S496-I500 PolarHBondContact O-N 3.35Å; L497-I500 PolarHBondContact O-N 2.9Å; I500-A503 PolarHBondContact O-N 3.21Å; I500-C504 PolarHBondContact O-N 2.95Å; I500-C504 PolarHBondContact O-SG 3.27Å |
| 501 | T | 97.2 | Very high | 94.6 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -48 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | L469 L472 L497 I498 A503 C504 L505 | L469-T501 HydrophobicContact CD1-CG2 3.85Å; L472-T501 HydrophobicContact CD1-CG2 4.13Å; L497-T501 WeakPolarHBondContact O-CB 3.31Å; L497-T501 WeakPolarHBondContact O-CG2 3.39Å; L497-T501 PolarHBondContact O-N 3.01Å; L497-T501 PolarHBondContact O-OG1 2.94Å; I498-T501 WeakPolarHBondContact CA-OG1 3.36Å; I498-T501 PolarHBondContact O-N 3.06Å; I498-T501 PolarHBondContact O-OG1 3.16Å; T501-A503 PolarHBondContact O-N 3.46Å; T501-C504 PolarHBondContact O-N 2.99Å; T501-L505 VanDerWaalsContact O-CG 3.32Å; T501-L505 WeakPolarHBondContact O-CG 3.17Å; T501-L505 PolarHBondContact O-N 3.08Å |
| 502 | M | 97.1 | Very high | 94 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 51% | 0.512 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.8 | -35.9 | 175.1 | -70.7 | -59 | -69.3 | 0 | 0 | 112.1 | M349 I498 L505 L506 | M349-M502 HydrophobicContact CE-CB 3.75Å; M349-M502 WeakPolarHBondContact CE-O 3.28Å; I498-M502 HydrophobicContact CG2-CG 4.48Å; I498-M502 WeakPolarHBondContact O-CB 3.49Å; I498-M502 VanDerWaalsContact O-CG 3.26Å; I498-M502 WeakPolarHBondContact O-CG 3.46Å; I498-M502 PolarHBondContact O-N 2.67Å; M502-L505 HydrophobicContact SD-CD1 4.34Å; M502-L506 WeakPolarHBondContact O-CB 3.37Å; M502-L506 PolarHBondContact O-N 3.26Å |
| 503 | A | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.4 | -41.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | A346 M349 A350 L499 I500 T501 L506 N507 | A346-A503 WeakPolarHBondContact O-CB 3.5Å; M349-A503 HydrophobicContact CB-CB 4Å; M349-A503 HydrophobicContact CE-CB 3.75Å; M349-A503 VanDerWaalsContact CE-N 3.25Å; M349-A503 HydrophobicContact CG-CB 4.14Å; A350-A503 HydrophobicContact CB-CB 3.59Å; L499-A503 VanDerWaalsContact O-CB 3.26Å; L499-A503 WeakPolarHBondContact O-CB 3.44Å; L499-A503 PolarHBondContact O-N 3.31Å; I500-A503 PolarHBondContact O-N 3.21Å; T501-A503 PolarHBondContact O-N 3.46Å; A503-L506 PolarHBondContact O-N 3.31Å; A503-N507 WeakPolarHBondContact O-CB 3.48Å; A503-N507 PolarHBondContact O-N 3.28Å |
| 504 | C | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 174.6 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | A321 L469 I500 T501 L506 N507 A508 | A321-C504 PolarHBondContact O-SG 3.45Å; L469-C504 HydrophobicContact CB-CB 4.43Å; L469-C504 HydrophobicContact CD1-CB 3.9Å; L469-C504 HydrophobicContact CD2-CB 3.97Å; L469-C504 HydrophobicContact CG-CB 4.34Å; I500-C504 PolarHBondContact O-N 2.95Å; I500-C504 PolarHBondContact O-SG 3.27Å; T501-C504 PolarHBondContact O-N 2.99Å; C504-L506 PolarHBondContact O-N 3.19Å; C504-N507 PolarHBondContact O-N 3.29Å; C504-A508 WeakPolarHBondContact O-CB 3.4Å; C504-A508 PolarHBondContact O-N 3.36Å |
| 505 | L | 95.1 | Very high | 92 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 41% | 0.408 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 173.5 | -69.3 | 174.5 | 0 | 0 | 0 | 111.1 | L469 T501 M502 N507 A508 F509 | L469-L505 HydrophobicContact CD2-CD2 4.32Å; L469-L505 HydrophobicContact CD2-CG 4.36Å; T501-L505 VanDerWaalsContact O-CG 3.32Å; T501-L505 WeakPolarHBondContact O-CG 3.17Å; T501-L505 PolarHBondContact O-N 3.08Å; M502-L505 HydrophobicContact SD-CD1 4.34Å; L505-N507 VanDerWaalsContact C-N 3.34Å; L505-N507 PolarHBondContact O-N 2.79Å; L505-A508 WeakPolarHBondContact O-CB 3.3Å; L505-A508 PolarHBondContact O-N 3.2Å; L505-F509 WeakPolarHBondContact O-CD2 3.48Å; L505-F509 PolarHBondContact O-N 2.96Å |
| 506 | L | 94.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 20% | 0.199 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.6 | -169.2 | 61.9 | 0 | 0 | 0 | 112.2 | L342 I345 A346 M349 M502 A503 C504 A508 F509 | L342-L506 HydrophobicContact CD2-CD1 4.5Å; I345-L506 HydrophobicContact CB-CD2 4.46Å; I345-L506 HydrophobicContact CG2-CD2 4.02Å; A346-L506 HydrophobicContact CB-CB 3.88Å; A346-L506 HydrophobicContact CB-CD2 4.01Å; A346-L506 HydrophobicContact CB-CG 3.94Å; M349-L506 HydrophobicContact CE-CB 4.39Å; M349-L506 HydrophobicContact CE-CD2 4.2Å; M502-L506 WeakPolarHBondContact O-CB 3.37Å; M502-L506 PolarHBondContact O-N 3.26Å; A503-L506 PolarHBondContact O-N 3.31Å; C504-L506 PolarHBondContact O-N 3.19Å; L506-A508 VanDerWaalsContact C-N 3.35Å; L506-F509 HydrophobicContact CD1-CD2 4.19Å; L506-F509 HydrophobicContact CD1-CE2 4.37Å; L506-F509 PolarHBondContact O-N 3.49Å |
| 507 | N | 94.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.011 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 176.3 | -176.1 | 38.9 | 0 | 0 | 0 | 112.7 | P324 C325 R343 A346 A503 C504 L505 F509 | P324-N507 PolarHBondContact O-ND2 3.18Å; P324-N507 VanDerWaalsContact O-ND2 3.11Å; C325-N507 PolarHBondContact N-ND2 2.84Å; R343-N507 WeakPolarHBondContact CD-OD1 3.43Å; A346-N507 HydrophobicContact CB-CB 3.88Å; A503-N507 WeakPolarHBondContact O-CB 3.48Å; A503-N507 PolarHBondContact O-N 3.28Å; C504-N507 PolarHBondContact O-N 3.29Å; L505-N507 VanDerWaalsContact C-N 3.34Å; L505-N507 PolarHBondContact O-N 2.79Å; N507-F509 PolarHBondContact O-N 3.4Å |
| 508 | A | 93.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.9 | -17.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I462 A465 I466 C504 L505 L506 | I462-A508 HydrophobicContact CG2-CB 4.35Å; A465-A508 HydrophobicContact CB-CB 3.98Å; I466-A508 HydrophobicContact CD1-CB 3.83Å; I466-A508 HydrophobicContact CG1-CB 3.55Å; C504-A508 WeakPolarHBondContact O-CB 3.4Å; C504-A508 PolarHBondContact O-N 3.36Å; L505-A508 WeakPolarHBondContact O-CB 3.3Å; L505-A508 PolarHBondContact O-N 3.2Å; L506-A508 VanDerWaalsContact C-N 3.35Å |
| 509 | F | 89.8 | Confident | 89.7 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | trans | -52.1 | 129 | -179.1 | -92.5 | -96.3 | 0 | 0 | 0 | 112.4 | L505 L506 N507 W513 | L505-F509 WeakPolarHBondContact O-CD2 3.48Å; L505-F509 PolarHBondContact O-N 2.96Å; L506-F509 HydrophobicContact CD1-CD2 4.19Å; L506-F509 HydrophobicContact CD1-CE2 4.37Å; L506-F509 PolarHBondContact O-N 3.49Å; N507-F509 PolarHBondContact O-N 3.4Å; F509-W513 HydrophobicContact CD1-CB 4.48Å; F509-W513 AromaticContact CD1-CE3 3.87Å; F509-W513 HydrophobicContact CD1-CE3 3.87Å; F509-W513 AromaticContact CE1-CE3 3.79Å; F509-W513 HydrophobicContact CE1-CE3 3.79Å; F509-W513 HydrophobicContact CE1-CZ3 4.25Å | ||
| 510 | P | 86.2 | Confident | 89 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | trans | -71.6 | 146.4 | 177.6 | 27.4 | -32 | 0 | 0 | 0 | 111.4 | I462 S512 W513 Q514 | I462-P510 HydrophobicContact CD1-CB 3.66Å; I462-P510 HydrophobicContact CD1-CG 3.84Å; I462-P510 HydrophobicContact CG1-CB 4.08Å; P510-S512 PolarHBondContact O-N 2.91Å; P510-W513 HydrophobicContact CG-CB 3.9Å; P510-W513 HydrophobicContact CG-CD2 3.67Å; P510-W513 HydrophobicContact CG-CE3 4.32Å; P510-W513 HydrophobicContact CG-CG 3.44Å; P510-W513 VanDerWaalsContact CG-CG 3.44Å; P510-W513 PolarHBondContact O-N 3.27Å; P510-W513 VanDerWaalsContact O-N 3.09Å; P510-Q514 WeakPolarHBondContact O-CG 3.49Å; P510-Q514 PolarHBondContact O-N 2.9Å | ||
| 511 | T | 81.4 | Confident | 88.4 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -26.6 | 177.7 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | Q514 K515 | T511-Q514 PolarHBondContact O-N 2.79Å; T511-K515 WeakPolarHBondContact O-CG 3.41Å; T511-K515 PolarHBondContact O-N 3.01Å; T511-K515 VanDerWaalsContact O-N 3.16Å |
| 512 | S | 81.9 | Confident | 88 | Confident | 55 Ų | 55 | 73 Ų | 73 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 173.6 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | P510 Q514 K515 H516 | P510-S512 PolarHBondContact O-N 2.91Å; S512-Q514 VanDerWaalsContact C-N 3.3Å; S512-Q514 PolarHBondContact O-N 3.34Å; S512-K515 WeakPolarHBondContact O-CB 3.5Å; S512-K515 PolarHBondContact O-N 3.44Å; S512-H516 PolarHBondContact O-N 2.79Å; S512-H516 VanDerWaalsContact O-N 3.14Å; S512-H516 PolarHBondContact O-ND1 3.35Å |
| 513 | W | 79.5 | Confident | 87.5 | Confident | 149 Ų | 149 | 75.1 Ų | 75.1 | 56% | 0.564 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 179.7 | -68.6 | 15.4 | 0 | 0 | 0 | 111.4 | F509 P510 K515 H516 I517 | F509-W513 HydrophobicContact CD1-CB 4.48Å; F509-W513 AromaticContact CD1-CE3 3.87Å; F509-W513 HydrophobicContact CD1-CE3 3.87Å; F509-W513 AromaticContact CE1-CE3 3.79Å; F509-W513 HydrophobicContact CE1-CE3 3.79Å; F509-W513 HydrophobicContact CE1-CZ3 4.25Å; P510-W513 HydrophobicContact CG-CB 3.9Å; P510-W513 HydrophobicContact CG-CD2 3.67Å; P510-W513 HydrophobicContact CG-CE3 4.32Å; P510-W513 HydrophobicContact CG-CG 3.44Å; P510-W513 VanDerWaalsContact CG-CG 3.44Å; P510-W513 PolarHBondContact O-N 3.27Å; P510-W513 VanDerWaalsContact O-N 3.09Å; W513-K515 VanDerWaalsContact C-N 3.3Å; W513-K515 PolarHBondContact O-N 3.23Å; W513-H516 WeakPolarHBondContact O-CB 3.4Å; W513-H516 PolarHBondContact O-N 2.85Å; W513-I517 WeakPolarHBondContact O-CG1 3.3Å; W513-I517 PolarHBondContact O-N 3.48Å |
| 514 | Q | 81.1 | Confident | 86.7 | Confident | 28 Ų | 28 | 81.3 Ų | 81.3 | 13% | 0.131 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 174.6 | -59.8 | -179.8 | -26.3 | 0 | 0 | 111.9 | L342 P510 T511 S512 I517 A518 | L342-Q514 HydrophobicContact CD1-CB 4.14Å; L342-Q514 HydrophobicContact CD1-CG 3.57Å; P510-Q514 WeakPolarHBondContact O-CG 3.49Å; P510-Q514 PolarHBondContact O-N 2.9Å; T511-Q514 PolarHBondContact O-N 2.79Å; S512-Q514 VanDerWaalsContact C-N 3.3Å; S512-Q514 PolarHBondContact O-N 3.34Å; Q514-I517 PolarHBondContact O-N 2.92Å; Q514-A518 WeakPolarHBondContact O-CB 3.49Å; Q514-A518 PolarHBondContact O-N 3.05Å |
| 515 | K | 84 | Confident | 85.8 | Confident | 146 Ų | 146 | 90.8 Ų | 90.8 | 64% | 0.635 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 174.1 | -68.4 | 179.6 | -179.8 | -171.4 | 0 | 112.1 | T511 S512 W513 A518 K519 | T511-K515 WeakPolarHBondContact O-CG 3.41Å; T511-K515 PolarHBondContact O-N 3.01Å; T511-K515 VanDerWaalsContact O-N 3.16Å; S512-K515 WeakPolarHBondContact O-CB 3.5Å; S512-K515 PolarHBondContact O-N 3.44Å; W513-K515 VanDerWaalsContact C-N 3.3Å; W513-K515 PolarHBondContact O-N 3.23Å; K515-A518 PolarHBondContact O-N 3.46Å; K515-K519 WeakPolarHBondContact O-CG 3.44Å; K515-K519 PolarHBondContact O-N 2.94Å |
| 516 | H | 83.6 | Confident | 84.2 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.5 | -67.8 | 91.8 | 0 | 0 | 0 | 111.4 | S512 W513 A518 K519 M520 | S512-H516 PolarHBondContact O-N 2.79Å; S512-H516 VanDerWaalsContact O-N 3.14Å; S512-H516 PolarHBondContact O-ND1 3.35Å; W513-H516 WeakPolarHBondContact O-CB 3.4Å; W513-H516 PolarHBondContact O-N 2.85Å; H516-A518 VanDerWaalsContact C-N 3.34Å; H516-A518 PolarHBondContact O-N 3.18Å; H516-K519 WeakPolarHBondContact O-CB 3.2Å; H516-K519 PolarHBondContact O-N 2.9Å; H516-M520 WeakPolarHBondContact O-CG 3.43Å; H516-M520 PolarHBondContact O-N 3.34Å |
| 517 | I | 83.7 | Confident | 82.3 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.1 | -66 | 165.1 | 0 | 0 | 0 | 110.4 | W513 Q514 K519 M520 L521 | W513-I517 WeakPolarHBondContact O-CG1 3.3Å; W513-I517 PolarHBondContact O-N 3.48Å; Q514-I517 PolarHBondContact O-N 2.92Å; I517-K519 VanDerWaalsContact C-N 3.32Å; I517-K519 PolarHBondContact O-N 3.33Å; I517-M520 PolarHBondContact O-N 2.92Å; I517-L521 HydrophobicContact CG2-CD1 3.75Å; I517-L521 HydrophobicContact CG2-CG 4.26Å; I517-L521 WeakPolarHBondContact O-CB 3.09Å; I517-L521 VanDerWaalsContact O-CG 3.31Å; I517-L521 WeakPolarHBondContact O-CG 3.2Å; I517-L521 PolarHBondContact O-N 3Å |
| 518 | A | 84.1 | Confident | 80.1 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q514 K515 H516 K522 | Q514-A518 WeakPolarHBondContact O-CB 3.49Å; Q514-A518 PolarHBondContact O-N 3.05Å; K515-A518 PolarHBondContact O-N 3.46Å; H516-A518 VanDerWaalsContact C-N 3.34Å; H516-A518 PolarHBondContact O-N 3.18Å; A518-K522 WeakPolarHBondContact O-CB 3.48Å; A518-K522 PolarHBondContact O-N 2.93Å |
| 519 | K | 87.8 | Confident | 78 | Confident | 149 Ų | 149 | 108.5 Ų | 108.5 | 65% | 0.648 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 174 | -74 | 178 | -179.3 | -173 | 0 | 112 | K515 H516 I517 K522 K523 | K515-K519 WeakPolarHBondContact O-CG 3.44Å; K515-K519 PolarHBondContact O-N 2.94Å; H516-K519 WeakPolarHBondContact O-CB 3.2Å; H516-K519 PolarHBondContact O-N 2.9Å; I517-K519 VanDerWaalsContact C-N 3.32Å; I517-K519 PolarHBondContact O-N 3.33Å; K519-K522 PolarHBondContact O-N 3.2Å; K519-K523 WeakPolarHBondContact O-CB 3.38Å; K519-K523 PolarHBondContact O-N 3.04Å |
| 520 | M | 83.1 | Confident | 75.9 | Confident | 112 Ų | 112 | 113.8 Ų | 113.8 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.9 | -42.2 | 177.5 | -69.7 | -60 | 175 | 0 | 0 | 111.6 | H516 I517 K522 K523 N524 | H516-M520 WeakPolarHBondContact O-CG 3.43Å; H516-M520 PolarHBondContact O-N 3.34Å; I517-M520 PolarHBondContact O-N 2.92Å; M520-K522 PolarHBondContact O-N 2.64Å; M520-K523 PolarHBondContact O-N 3.49Å; M520-N524 WeakPolarHBondContact O-CB 3.23Å; M520-N524 VanDerWaalsContact O-CG 3.27Å; M520-N524 PolarHBondContact O-N 3.26Å |
| 521 | L | 85.5 | Confident | 73.8 | Confident | 91 Ų | 91 | 118.1 Ų | 118.1 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.5 | -41.5 | 173.6 | -73.5 | 166.8 | 0 | 0 | 0 | 111.5 | I517 N524 R525 | I517-L521 HydrophobicContact CG2-CD1 3.75Å; I517-L521 HydrophobicContact CG2-CG 4.26Å; I517-L521 WeakPolarHBondContact O-CB 3.09Å; I517-L521 VanDerWaalsContact O-CG 3.31Å; I517-L521 WeakPolarHBondContact O-CG 3.2Å; I517-L521 PolarHBondContact O-N 3Å; L521-N524 PolarHBondContact O-N 3.43Å; L521-R525 VanDerWaalsContact O-CB 3.32Å; L521-R525 WeakPolarHBondContact O-CB 3.49Å; L521-R525 VanDerWaalsContact O-CG 3.24Å; L521-R525 WeakPolarHBondContact O-CG 3.33Å; L521-R525 PolarHBondContact O-N 2.85Å |
| 522 | K | 87.2 | Confident | 71.8 | Confident | 166 Ų | 166 | 121.3 Ų | 121.3 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.1 | -39.5 | 175.9 | -169.8 | 176.8 | -179.5 | -177.9 | 0 | 112.1 | A518 K519 M520 R525 S526 | A518-K522 WeakPolarHBondContact O-CB 3.48Å; A518-K522 PolarHBondContact O-N 2.93Å; K519-K522 PolarHBondContact O-N 3.2Å; M520-K522 PolarHBondContact O-N 2.64Å; K522-R525 CarbonylContact O-C 3.52Å; K522-R525 PolarHBondContact O-N 3.04Å; K522-S526 PolarHBondContact O-N 3.1Å |
| 523 | K | 87.2 | Confident | 69.8 | Low | 150 Ų | 150 | 125.2 Ų | 125.2 | 65% | 0.652 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.1 | -42.3 | 174.5 | -177.5 | -179.5 | 174.1 | -177.3 | 0 | 111.5 | K519 M520 R525 S526 | K519-K523 WeakPolarHBondContact O-CB 3.38Å; K519-K523 PolarHBondContact O-N 3.04Å; M520-K523 PolarHBondContact O-N 3.49Å; K523-R525 VanDerWaalsContact C-N 3.25Å; K523-R525 PolarHBondContact O-N 3.43Å; K523-S526 PolarHBondContact O-N 3.43Å; K523-S526 PolarHBondContact O-OG 2.98Å |
| 524 | N | 81.2 | Confident | 67.6 | Low | 130 Ų | 130 | 125 Ų | 125 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.4 | -22.3 | 177.1 | -67.6 | -7.8 | 0 | 0 | 0 | 112.5 | M520 L521 | M520-N524 WeakPolarHBondContact O-CB 3.23Å; M520-N524 VanDerWaalsContact O-CG 3.27Å; M520-N524 PolarHBondContact O-N 3.26Å; L521-N524 PolarHBondContact O-N 3.43Å |
| 525 | R | 76.9 | Confident | 65.5 | Low | 199 Ų | 199 | 133.3 Ų | 133.3 | 75% | 0.751 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88.1 | -8.7 | 173.1 | -73.5 | -179.2 | -176.6 | -174.6 | 1.1 | 114.1 | L521 K522 K523 P527 | L521-R525 VanDerWaalsContact O-CB 3.32Å; L521-R525 WeakPolarHBondContact O-CB 3.49Å; L521-R525 VanDerWaalsContact O-CG 3.24Å; L521-R525 WeakPolarHBondContact O-CG 3.33Å; L521-R525 PolarHBondContact O-N 2.85Å; K522-R525 CarbonylContact O-C 3.52Å; K522-R525 PolarHBondContact O-N 3.04Å; K523-R525 VanDerWaalsContact C-N 3.25Å; K523-R525 PolarHBondContact O-N 3.43Å; R525-P527 WeakPolarHBondContact O-CD 3.3Å; R525-P527 VanDerWaalsContact O-N 3.1Å |
| 526 | S | 60.7 | Low | 63 | Low | 76 Ų | 76 | 137.7 Ų | 137.7 | 53% | 0.531 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -65.4 | 114.3 | 172.2 | 62.4 | 0 | 0 | 0 | 0 | 107.3 | K522 K523 K528 | K522-S526 PolarHBondContact O-N 3.1Å; K523-S526 PolarHBondContact O-N 3.43Å; K523-S526 PolarHBondContact O-OG 2.98Å; S526-K528 PolarHBondContact O-N 3.33Å |
| 527 | P | 55.5 | Low | 60.8 | Low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | trans | -57.8 | 138.4 | -174.5 | -20.8 | 31.4 | 0 | 0 | 0 | 109.4 | R525 S529 | R525-P527 WeakPolarHBondContact O-CD 3.3Å; R525-P527 VanDerWaalsContact O-N 3.1Å; P527-S529 PolarHBondContact O-N 3.06Å | ||
| 528 | K | 48.6 | Very low | 58.5 | Low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -43.2 | 108.4 | 156.5 | -169.4 | 158.6 | -174.9 | 171.3 | 0 | 106.4 | S526 Q530 | S526-K528 PolarHBondContact O-N 3.33Å; K528-Q530 PolarHBondContact O-N 3.39Å | ||
| 529 | S | 48.9 | Very low | 56.2 | Low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -49.2 | 115 | 174.8 | 47.8 | 0 | 0 | 0 | 0 | 106.9 | P527 | P527-S529 PolarHBondContact O-N 3.06Š| ||
| 530 | Q | 45.5 | Very low | 53.6 | Low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | -51.7 | 144.5 | 170 | -80.5 | 173.6 | -30.5 | 0 | 0 | 108.8 | K528 T532 | K528-Q530 PolarHBondContact O-N 3.39Å; Q530-T532 PolarHBondContact O-N 3.4Å | ||
| 531 | P | 42.8 | Very low | 51.3 | Low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -60.5 | 141.5 | -175.6 | 25.5 | -31.6 | 0 | 0 | 0 | 110 | T533 | P531-T533 PolarHBondContact O-N 3.42Š| ||
| 532 | T | 39.3 | Very low | 48.8 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -40.6 | 96.6 | 175.5 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | Q530 N534 | Q530-T532 PolarHBondContact O-N 3.4Å; T532-N534 PolarHBondContact O-N 3.38Å | ||
| 533 | T | 39.3 | Very low | 46.3 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -90.6 | 97.2 | 159.3 | -19.7 | 0 | 0 | 0 | 0 | 107.8 | P531 K535 | P531-T533 PolarHBondContact O-N 3.42Å; T533-K535 PolarHBondContact O-N 3.18Å; T533-K535 VanDerWaalsContact O-N 3.11Å | ||
| 534 | N | 33.3 | Very low | 43.5 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -30.1 | 109.9 | 162.4 | -84.5 | -30.2 | 0 | 0 | 0 | 112.7 | T532 | T532-N534 PolarHBondContact O-N 3.38Š| ||
| 535 | K | 36.6 | Very low | 41.3 | Very low | 201 Ų | 201 | 155.8 Ų | 155.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -133.1 | 91.2 | 142.9 | -78.2 | -166.5 | 176.8 | 179.1 | 0 | 109.1 | T533 S537 | T533-K535 PolarHBondContact O-N 3.18Å; T533-K535 VanDerWaalsContact O-N 3.11Å; K535-S537 PolarHBondContact O-N 3.05Å | ||
| 536 | R | 32.8 | Very low | 39.1 | Very low | 238 Ų | 238 | 152.2 Ų | 152.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -48.9 | 121.1 | 150.3 | -80.1 | 174.1 | 169.2 | 162.5 | -4.5 | 108.9 | ||||
| 537 | S | 36.3 | Very low | 37.5 | Very low | 95 Ų | 95 | 153.6 Ų | 153.6 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | trans | -167.4 | 82.7 | 151.3 | 50.1 | 0 | 0 | 0 | 0 | 105.9 | K535 | K535-S537 PolarHBondContact O-N 3.05Š| ||
| 538 | I | 34.9 | Very low | 36.5 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | 63.6 | 93.6 | 102.5 | -58.9 | 165.2 | 0 | 0 | 0 | 111.2 | |||||
| 539 | S | 37.2 | Very low | 35.3 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -157.8 | 57.4 | 144.3 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | I541 | S539-I541 VanDerWaalsContact C-N 3.31Å; S539-I541 PolarHBondContact O-N 3.18Å | ||
| 540 | L | 33.4 | Very low | 34.4 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -68.7 | 98.4 | 143 | -84.8 | 159.7 | 0 | 0 | 0 | 105.7 | ||||
| 541 | I | 34.7 | Very low | 34.2 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -157.7 | 107.4 | 151.9 | -91.1 | 135.5 | 0 | 0 | 0 | 107.5 | S539 | S539-I541 VanDerWaalsContact C-N 3.31Å; S539-I541 PolarHBondContact O-N 3.18Å | ||
| 542 | Q | 31.7 | Very low | 33.4 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | 44.9 | 121.8 | 138.8 | -58 | 175.6 | -64.7 | 0 | 0 | 119.1 | ||||
| 543 | R | 34.6 | Very low | 32.9 | Very low | 227 Ų | 227 | 150.6 Ų | 150.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | -171.7 | 100.3 | 88.4 | -96.4 | 178.1 | -168.7 | 124.2 | 1 | 110 | K545 | R543-K545 PolarHBondContact O-N 3.41Š| |||
| 544 | N | 28.7 | Very low | 32.7 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -61.4 | 116.6 | 147 | -84.1 | -14.2 | 0 | 0 | 0 | 107.6 | ||||
| 545 | K | 34.6 | Very low | 32.5 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -138.1 | 85.8 | 148.9 | -104.8 | -176.2 | 178.7 | -176.1 | 0 | 107.5 | R543 | R543-K545 PolarHBondContact O-N 3.41Š| ||
| 546 | T | 31.8 | Very low | 32 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -54.4 | 144.4 | 160.6 | 38.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 547 | S | 27.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -29.5 | 138.3 | 164.6 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 548 | M | 32.7 | Very low | 32 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | -144 | 124.9 | 135.9 | -156.7 | 169.8 | -72.4 | 0 | 0 | 109 | ||||
| 549 | V | 24.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -90.2 | 178.4 | 175.5 | 177 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 550 | I | 29.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 92.3 | 153.1 | 158 | -6.8 | 173.6 | 0 | 0 | 0 | 116.7 | ||||
| 551 | P | 41.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | -135.9 | 178.1 | -91.8 | 43.7 | -26.5 | 0 | 0 | 0 | 115.6 | |||||
| 552 | S | 26 | Very low | 30.2 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 66.1 | 138.4 | 140.4 | 67.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 553 | S | 28.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | 87.5 | 123.7 | 146.9 | 74.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 554 | G | 33.9 | Very low | 29.2 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 141.2 | 69.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 555 | S | 30.7 | Very low | 29 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 56.8 | 92.6 | 99.7 | 67.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 556 | T | 25.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | 53.7 | 169.8 | 128.8 | 62.7 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 557 | P | 42.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | -122.9 | 163.3 | -87.1 | 33.4 | -14.3 | 0 | 0 | 0 | 112.2 | |||||
| 558 | M | 27.2 | Very low | 28.5 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -170.6 | 135.4 | 144 | -109.7 | -62.4 | 178.9 | 0 | 0 | 112.3 | ||||
| 559 | S | 23.5 | Very low | 28.2 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -78.5 | 137.3 | 169.4 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 560 | S | 28.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 169.2 | 109.6 | 144.4 | 52.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 561 | I | 24.9 | Very low | 28.1 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | 74.7 | 126.6 | 91 | -67.9 | 172 | 0 | 0 | 0 | 113.9 | |||||
| 562 | Q | 24.1 | Very low | 27.4 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 79.2 | 108.8 | 154.2 | -82.6 | 176.2 | -36.6 | 0 | 0 | 122.5 | ||||
| 563 | R | 21.7 | Very low | 27.6 | Very low | 216 Ų | 216 | 132.3 Ų | 132.3 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | 59.4 | 130.1 | 99.5 | -153 | -171.9 | -86.9 | -133.9 | -0.3 | 118.9 | |||||
| 564 | S | 23.7 | Very low | 27.3 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | 79.4 | 115.8 | 146.2 | 44.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 565 | S | 26.1 | Very low | 27 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 54.6 | 125.6 | 134.7 | 63 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 566 | I | 28 | Very low | 26.7 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | -179.2 | 143.9 | 111.3 | -86.6 | 151.6 | 0 | 0 | 0 | 110.1 | |||||
| 567 | I | 24.6 | Very low | 26.8 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -53.3 | 143.7 | 175.3 | -67.8 | 151.6 | 0 | 0 | 0 | 112.5 | V569 | I567-V569 HydrophobicContact CG2-CG2 3.79Š| ||
| 568 | N | 30.8 | Very low | 25.8 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -133.5 | 128.2 | 159.6 | -133.4 | 20.2 | 0 | 0 | 0 | 111.3 | ||||
| 569 | V | 25.2 | Very low | 25.8 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | trans | -115.3 | 136.8 | -173 | 164.3 | 0 | 0 | 0 | 0 | 108.5 | I567 | I567-V569 HydrophobicContact CG2-CG2 3.79Š| ||
| 570 | N | 24.8 | Very low | 25.8 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 69.7 | 151.6 | 158.1 | -78 | 8.3 | 0 | 0 | 0 | 118.3 | ||||
| 571 | P | 28.9 | Very low | 25.7 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -141.4 | 166 | 49.7 | 36.2 | -13.7 | 0 | 0 | 0 | 119.5 | ||||
| 572 | I | 25.6 | Very low | 25.6 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | trans | -58.2 | 138.5 | 170.7 | -64.8 | 151.4 | 0 | 0 | 0 | 111 | ||||
| 573 | N | 30.1 | Very low | 25.7 | Very low | 169 Ų | 169 | 143 Ų | 143 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -130.2 | 110.8 | 155.5 | -101.6 | -13 | 0 | 0 | 0 | 109.7 | ||||
| 574 | L | 23.2 | Very low | 26 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -83.2 | 131.6 | 165.2 | -149.9 | 86.6 | 0 | 0 | 0 | 106.7 | ||||
| 575 | N | 27.5 | Very low | 26.3 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -164.8 | 126 | 139.8 | -101.2 | -11.8 | 0 | 0 | 0 | 112.7 | ||||
| 576 | T | 23.9 | Very low | 26.2 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -66.3 | 142.7 | 169.5 | 43.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 577 | S | 27.9 | Very low | 26.2 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -151.5 | 129.9 | 138.4 | -158.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 578 | Y | 22.6 | Very low | 26.5 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -62.3 | 144.9 | 176.3 | -93.4 | -115 | 0 | 0 | 0 | 112 | ||||
| 579 | N | 26.6 | Very low | 26.5 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | -154.7 | 124.7 | 129.4 | -121 | -13.1 | 0 | 0 | 0 | 112.8 | |||||
| 580 | N | 22.5 | Very low | 26.5 | Very low | 114 Ų | 114 | 145 Ų | 145 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | trans | -65.2 | 142.9 | 170.6 | -83.7 | -31.2 | 0 | 0 | 0 | 110.7 | ||||
| 581 | N | 27 | Very low | 26.6 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | -162.9 | 128.8 | 119.3 | -101.2 | -17.7 | 0 | 0 | 0 | 112.4 | |||||
| 582 | N | 23.6 | Very low | 26.6 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | -61 | 139.7 | 172.7 | -62.1 | -39.5 | 0 | 0 | 0 | 111.3 | ||||
| 583 | N | 26.4 | Very low | 26.6 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | -175.6 | 135 | 106.8 | -95.4 | -15.8 | 0 | 0 | 0 | 112.9 | |||||
| 584 | S | 26.2 | Very low | 26.5 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -62.6 | 142.1 | 169.7 | 46.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 585 | S | 31.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | -172.5 | 120.3 | 125.4 | 57 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 586 | I | 24.3 | Very low | 26.8 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -73.8 | 140.1 | 168.7 | -67.9 | 156.2 | 0 | 0 | 0 | 109.7 | ||||
| 587 | R | 27.6 | Very low | 27 | Very low | 239 Ų | 239 | 143.7 Ų | 143.7 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | -174.6 | 151.9 | 125.1 | -105 | -174.2 | -176.2 | -153.2 | 1.4 | 113.7 | |||||
| 588 | P | 31.5 | Very low | 27.3 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -102.7 | 159.8 | -161.4 | 39.6 | -32.6 | 0 | 0 | 0 | 113.3 | ||||
| 589 | L | 30.5 | Very low | 27.9 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -120.6 | 105 | 159.9 | -84 | 160.3 | 0 | 0 | 0 | 108.9 | ||||
| 590 | S | 25.2 | Very low | 28.3 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -82.2 | 142.1 | 169.8 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 591 | A | 25.5 | Very low | 29 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | 37.2 | 98.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 592 | G | 29.9 | Very low | 29.4 | Very low | 84 Ų | 84 | 139 Ų | 139 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -130.3 | 94 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 593 | S | 25.7 | Very low | 29.8 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -70.5 | 162.6 | 166.4 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 594 | I | 28.1 | Very low | 30.4 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | 116.9 | 122.2 | 148.8 | -56.3 | 177.6 | 0 | 0 | 0 | 117.3 | ||||
| 595 | R | 28.1 | Very low | 31 | Very low | 232 Ų | 232 | 141.7 Ų | 141.7 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | 95 | 89.3 | 149.2 | -87.1 | 163.7 | -158.9 | -149.5 | 4.5 | 120.8 | ||||
| 596 | H | 27.9 | Very low | 31.3 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | -26.8 | 132.1 | 123.7 | -92.8 | -103.5 | 0 | 0 | 0 | 114 | |||||
| 597 | G | 29.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 117.4 | 75.4 | 156 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 598 | S | 33.1 | Very low | 32.3 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -160.3 | 75.2 | 155.9 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 599 | I | 35.7 | Very low | 32.4 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -130.4 | -6.7 | 153.5 | -59.1 | -178 | 0 | 0 | 0 | 111.2 | H601 | I599-H601 PolarHBondContact O-N 3.34Š|
| 600 | I | 35.7 | Very low | 32.5 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -10.7 | 172.1 | -64.5 | 177.6 | 0 | 0 | 0 | 112.3 | ||
| 601 | H | 36.5 | Very low | 32.9 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 68% | 0.681 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 10.5 | -178.6 | -138.1 | -78.9 | 0 | 0 | 0 | 116.2 | I599 | I599-H601 PolarHBondContact O-N 3.34Š|
| 602 | S | 35.4 | Very low | 33.4 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -102.3 | -5.3 | 177.7 | -163.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 603 | L | 32.4 | Very low | 33.6 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -108.7 | 8.6 | -178.7 | -101.5 | 150.3 | 0 | 0 | 0 | 114.7 | ||
| 604 | K | 38 | Very low | 34.2 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -110.2 | 12.6 | 172.9 | -120.9 | -177.3 | -179 | -173.5 | 0 | 114.8 | ||
| 605 | T | 39 | Very low | 34.6 | Very low | 104 Ų | 104 | 156.8 Ų | 156.8 | 64% | 0.638 | 81% | 0.813 | S | S | * | * | trans | -125.7 | 35.4 | 176.9 | 43.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 606 | K | 39.4 | Very low | 35.2 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -118.9 | 96.6 | 143.9 | -78.6 | -178.9 | 174 | -175.9 | 0 | 103.6 | ||||
| 607 | I | 40.2 | Very low | 35.9 | Very low | 230 Ų | 230 | 146.4 Ų | 146.4 | 100% | 1.179 | 80% | 0.798 | S | S | * | * | 30.4 | 0 | 83.6 | -51.3 | 177.5 | 0 | 0 | 0 | 110.7 |
Retrieved 607 of 607 residues in 388.7 ms
(Link to these results)