| 1 | M | 39.3 | Very low | 45.2 | Very low | 251 Ų | 251 | 154.4 Ų | 154.4 | 100% | 1.236 | 86% | 0.856 | S | S | * | * | | | | 0 | 107.1 | 0 | -79.5 | -99.4 | 144.3 | 0 | 0 | 106.9 | | |
| 2 | A | 41 | Very low | 44.9 | Very low | 100 Ų | 100 | 156.2 Ų | 156.2 | 83% | 0.826 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 143.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 3 | S | 40.2 | Very low | 44.8 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.9 | 178.2 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 4 | R | 47.4 | Very low | 45.1 | Very low | 247 Ų | 247 | 149.4 Ų | 149.4 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 120.1 | 163.3 | -74.1 | -170.6 | 177.5 | -163 | -0.4 | 109.1 | | |
| 5 | Q | 47.3 | Very low | 45.2 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144.6 | 168 | -70.8 | -91.5 | -33.3 | 0 | 0 | 110.1 | E7 | Q5-E7 PolarHBondContact O-N 3.07Š|
| 6 | P | 48.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | | | trans | -78.5 | 109.7 | 165.8 | 29.9 | -27.8 | 0 | 0 | 0 | 109.5 | V8 | P6-V8 PolarHBondContact O-N 2.92Š|
| 7 | E | 41.2 | Very low | 46.5 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | | | trans | -66.5 | 119.4 | 172.2 | -170.8 | 172.9 | -178.4 | 0 | 0 | 109.6 | Q5 | Q5-E7 PolarHBondContact O-N 3.07Š|
| 8 | V | 52 | Low | 46.6 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 74% | 0.739 | 83% | 0.834 | S | S | * | * | | | trans | -90.2 | 132.9 | 177.8 | -166.8 | 0 | 0 | 0 | 0 | 108 | P6 A10 | P6-V8 PolarHBondContact O-N 2.92Å; V8-A10 PolarHBondContact O-N 2.86Å; V8-A10 VanDerWaalsContact O-N 3.12Å |
| 9 | P | 52.7 | Low | 47 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | | | trans | -63.7 | 115.8 | 175.6 | -19.7 | 31.4 | 0 | 0 | 0 | 110.8 | L11 | P9-L11 PolarHBondContact O-N 3.05Š|
| 10 | A | 42 | Very low | 47.1 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 84% | 0.841 | S | S | * | * | | | trans | -69 | 124.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V8 E12 | V8-A10 PolarHBondContact O-N 2.86Å; V8-A10 VanDerWaalsContact O-N 3.12Å; A10-E12 PolarHBondContact O-N 3.15Å; A10-E12 VanDerWaalsContact O-N 3.16Å |
| 11 | L | 45.8 | Very low | 47.7 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | | | trans | -72.3 | 99 | 169.7 | -68.8 | 165.1 | 0 | 0 | 0 | 108.4 | P9 A13 | P9-L11 PolarHBondContact O-N 3.05Å; L11-A13 PolarHBondContact O-N 3.07Å |
| 12 | E | 41.1 | Very low | 48.7 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | -72.1 | 108.3 | 163 | -76.1 | -158.9 | 161.9 | 0 | 0 | 109.2 | A10 | A10-E12 PolarHBondContact O-N 3.15Å; A10-E12 VanDerWaalsContact O-N 3.16Å |
| 13 | A | 44.1 | Very low | 49.3 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -102.2 | 88.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | L11 | L11-A13 PolarHBondContact O-N 3.07Š|
| 14 | S | 48.7 | Very low | 50.1 | Low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -103 | 105 | 172.7 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 15 | G | 46.5 | Very low | 50.6 | Low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | trans | 178.9 | 124.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L17 | G15-L17 PolarHBondContact O-N 3.28Å; G15-L17 VanDerWaalsContact O-N 3.12Å |
| 16 | P | 59.9 | Low | 50.8 | Low | 140 Ų | 140 | 131 Ų | 131 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -86.1 | 86.6 | -179.8 | 34.2 | -29.1 | 0 | 0 | 0 | 108.8 | | |
| 17 | L | 52.6 | Low | 51 | Low | 169 Ų | 169 | 135.8 Ų | 135.8 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -131.5 | 115 | 172.8 | -156.4 | 75 | 0 | 0 | 0 | 110.4 | G15 | G15-L17 PolarHBondContact O-N 3.28Å; G15-L17 VanDerWaalsContact O-N 3.12Å |
| 18 | G | 47.8 | Very low | 51.6 | Low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | 66.2 | 101.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | M20 | G18-M20 VanDerWaalsContact C-N 3.29Å; G18-M20 PolarHBondContact O-N 2.96Å |
| 19 | K | 55.4 | Low | 52.1 | Low | 218 Ų | 218 | 140.8 Ų | 140.8 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | | | trans | -59.8 | 90.7 | 162.4 | -53.4 | -177.7 | -175.9 | -176 | 0 | 109.3 | | |
| 20 | M | 49.2 | Very low | 52.4 | Low | 174 Ų | 174 | 139.8 Ų | 139.8 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -106.6 | 94.6 | 162.2 | -73.8 | 176.4 | 63.9 | 0 | 0 | 106.6 | G18 L22 | G18-M20 VanDerWaalsContact C-N 3.29Å; G18-M20 PolarHBondContact O-N 2.96Å; M20-L22 PolarHBondContact O-N 3.07Å; M20-L22 VanDerWaalsContact O-N 3.13Å |
| 21 | S | 58.3 | Low | 53 | Low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -58.4 | 115.7 | 171.3 | 50.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 22 | L | 61.7 | Low | 53.5 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -54.7 | 140.6 | 158.5 | -69.3 | 156.8 | 0 | 0 | 0 | 107.5 | M20 I24 | M20-L22 PolarHBondContact O-N 3.07Å; M20-L22 VanDerWaalsContact O-N 3.13Å; L22-I24 VanDerWaalsContact C-N 3.34Å; L22-I24 WeakPolarHBondContact O-CD1 3.16Å; L22-I24 PolarHBondContact O-N 3Å |
| 23 | P | 53.1 | Low | 54.2 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | | | trans | -66.1 | 98.7 | 172.4 | 26.4 | -31 | 0 | 0 | 0 | 108.6 | G25 | P23-G25 PolarHBondContact O-N 3.39Š|
| 24 | I | 56.1 | Low | 55 | Low | 163 Ų | 163 | 138.4 Ų | 138.4 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 119.2 | 161.7 | -78.3 | 71.5 | 0 | 0 | 0 | 105.8 | L22 | L22-I24 VanDerWaalsContact C-N 3.34Å; L22-I24 WeakPolarHBondContact O-CD1 3.16Å; L22-I24 PolarHBondContact O-N 3Å |
| 25 | G | 57.4 | Low | 55.6 | Low | 64 Ų | 64 | 138.2 Ų | 138.2 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.2 | 1.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | P23 Y27 | P23-G25 PolarHBondContact O-N 3.39Å; G25-Y27 PolarHBondContact O-N 3.41Å |
| 26 | I | 53.2 | Low | 56.2 | Low | 130 Ų | 130 | 139.3 Ų | 139.3 | 67% | 0.667 | 74% | 0.74 | S | S | * | * | | | trans | -88.1 | 87.9 | 170.9 | 2.1 | 174.8 | 0 | 0 | 0 | 109.1 | R28 | I26-R28 PolarHBondContact O-N 3.39Š|
| 27 | Y | 52.3 | Low | 56.3 | Low | 214 Ų | 214 | 139.2 Ų | 139.2 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | | | trans | -56.6 | 103.9 | 162.9 | -95.1 | -93.6 | 0 | 0 | 0 | 107.9 | G25 R29 | G25-Y27 PolarHBondContact O-N 3.41Å; Y27-R29 PolarHBondContact O-N 3.32Å |
| 28 | R | 54.3 | Low | 56.6 | Low | 227 Ų | 227 | 139.3 Ų | 139.3 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | | | trans | -72.1 | 78.2 | 163.8 | -65.2 | -160.3 | -170.3 | -84.6 | 2 | 107.5 | I26 A30 | I26-R28 PolarHBondContact O-N 3.39Å; R28-A30 PolarHBondContact O-N 3Å |
| 29 | R | 61.3 | Low | 57.1 | Low | 192 Ų | 192 | 141.2 Ų | 141.2 | 73% | 0.725 | 72% | 0.721 | S | S | * | * | | | trans | -67.1 | 114.3 | 158.3 | -73.7 | -162.3 | -73.1 | -136.6 | 2.1 | 105.7 | Y27 L31 | Y27-R29 PolarHBondContact O-N 3.32Å; R29-L31 VanDerWaalsContact C-N 3.25Å; R29-L31 PolarHBondContact O-N 3.49Å |
| 30 | A | 58.6 | Low | 57.2 | Low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | | | trans | -62.2 | 96 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | R28 S32 | R28-A30 PolarHBondContact O-N 3Å; A30-S32 PolarHBondContact O-N 3.25Å |
| 31 | L | 54.8 | Low | 57.8 | Low | 120 Ų | 120 | 131 Ų | 131 | 63% | 0.628 | 70% | 0.695 | S | S | * | * | | | trans | -65.8 | 104.3 | 172 | -68.2 | 167.1 | 0 | 0 | 0 | 105.9 | R29 | R29-L31 VanDerWaalsContact C-N 3.25Å; R29-L31 PolarHBondContact O-N 3.49Å |
| 32 | S | 57.6 | Low | 57.7 | Low | 61 Ų | 61 | 130.6 Ų | 130.6 | 43% | 0.427 | 69% | 0.69 | S | S | . | * | | | trans | -69.5 | 148 | 167.2 | 63.2 | 0 | 0 | 0 | 0 | 107.7 | A30 D34 D35 | A30-S32 PolarHBondContact O-N 3.25Å; S32-D34 PolarHBondContact O-N 2.68Å; S32-D34 VanDerWaalsContact O-N 3.1Å; S32-D35 PolarHBondContact O-N 3.13Å |
| 33 | Y | 54.5 | Low | 58.1 | Low | 212 Ų | 212 | 131 Ų | 131 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -22.8 | -179.7 | -132.1 | -93.7 | 0 | 0 | 0 | 112.4 | T36 | Y33-T36 PolarHBondContact O-OG1 3.48Š|
| 34 | D | 62.2 | Low | 58.5 | Low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -34.5 | -178 | -137.4 | 10.6 | 0 | 0 | 0 | 112.7 | S32 T36 L37 | S32-D34 PolarHBondContact O-N 2.68Å; S32-D34 VanDerWaalsContact O-N 3.1Å; D34-T36 PolarHBondContact O-N 3.01Å; D34-L37 PolarHBondContact O-N 3.02Å |
| 35 | D | 61.2 | Low | 58.8 | Low | 110 Ų | 110 | 128.8 Ų | 128.8 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68.1 | -17.5 | 179.9 | -106.8 | -0.4 | 0 | 0 | 0 | 113.3 | S32 | S32-D35 PolarHBondContact O-N 3.13Å |
| 36 | T | 59 | Low | 59.1 | Low | 87 Ų | 87 | 130.2 Ų | 130.2 | 53% | 0.534 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -88.8 | -7.1 | -179.5 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | Y33 D34 | Y33-T36 PolarHBondContact O-OG1 3.48Å; D34-T36 PolarHBondContact O-N 3.01Å |
| 37 | L | 61 | Low | 59.8 | Low | 138 Ų | 138 | 128.4 Ų | 128.4 | 72% | 0.723 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -97.5 | -25.5 | 179.2 | -65.3 | 176.9 | 0 | 0 | 0 | 112.8 | D34 | D34-L37 PolarHBondContact O-N 3.02Å |
| 38 | E | 60.1 | Low | 60.1 | Low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87.7 | -25.3 | -176.2 | -154.6 | 84.5 | -161.3 | 0 | 0 | 112.9 | P40 | E38-P40 VanDerWaalsContact O-CD 3.28Å; E38-P40 WeakPolarHBondContact O-CD 3.26Å |
| 39 | D | 58.1 | Low | 60.5 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 57% | 0.567 | 68% | 0.679 | S | S | * | * | | | trans | -105.7 | 103.7 | -177.7 | -164.1 | 1 | 0 | 0 | 0 | 112.5 | A41 | D39-A41 PolarHBondContact O-N 3.33Å; D39-A41 VanDerWaalsContact OD1-CB 3.25Å; D39-A41 WeakPolarHBondContact OD1-CB 3.39Å; D39-A41 PolarHBondContact OD1-N 2.98Å; D39-A41 VanDerWaalsContact OD1-N 3.1Å |
| 40 | P | 57.8 | Low | 60.2 | Low | 126 Ų | 126 | 118.2 Ų | 118.2 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | | | trans | -77.9 | 5.4 | 175.8 | 32.2 | -35.1 | 0 | 0 | 0 | 113.3 | E38 | E38-P40 VanDerWaalsContact O-CD 3.28Å; E38-P40 WeakPolarHBondContact O-CD 3.26Å |
| 41 | A | 61.4 | Low | 60 | Low | 53 Ų | 53 | 116.2 Ų | 116.2 | 44% | 0.438 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -73.7 | 124.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D39 M43 | D39-A41 PolarHBondContact O-N 3.33Å; D39-A41 VanDerWaalsContact OD1-CB 3.25Å; D39-A41 WeakPolarHBondContact OD1-CB 3.39Å; D39-A41 PolarHBondContact OD1-N 2.98Å; D39-A41 VanDerWaalsContact OD1-N 3.1Å; A41-M43 PolarHBondContact O-N 3.01Å |
| 42 | P | 57.1 | Low | 60.4 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | | | trans | -60.4 | 117.5 | 172.5 | 24.3 | -30.9 | 0 | 0 | 0 | 108.5 | T44 | P42-T44 PolarHBondContact O-N 3.04Š|
| 43 | M | 68.3 | Low | 60.4 | Low | 151 Ų | 151 | 118 Ų | 118 | 74% | 0.744 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -53.6 | 106.2 | 170.7 | -77.1 | -127.1 | 70.2 | 0 | 0 | 108.2 | A41 | A41-M43 PolarHBondContact O-N 3.01Š|
| 44 | T | 63.2 | Low | 60.7 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 76.4 | 110.1 | -176.7 | -16.4 | 0 | 0 | 0 | 0 | 114.1 | P42 | P42-T44 PolarHBondContact O-N 3.04Š|
| 45 | P | 62.3 | Low | 60.2 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144.2 | 165.5 | 27.5 | -32.5 | 0 | 0 | 0 | 109.3 | | |
| 46 | P | 64 | Low | 60.3 | Low | 94 Ų | 94 | 121.2 Ų | 121.2 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145.9 | 173.4 | 25.1 | -33.2 | 0 | 0 | 0 | 109.6 | S48 | P46-S48 PolarHBondContact O-N 3.49Š|
| 47 | P | 65.8 | Low | 60.3 | Low | 92 Ų | 92 | 122.1 Ų | 122.1 | 60% | 0.597 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 133.8 | -179.4 | 22.1 | -32.1 | 0 | 0 | 0 | 109.9 | D49 M50 | P47-D49 PolarHBondContact O-N 3.48Å; P47-M50 HydrophobicContact CG-CG 4.34Å; P47-M50 HydrophobicContact CG-SD 4.38Å; P47-M50 PolarHBondContact O-N 3.48Å; P47-M50 VanDerWaalsContact O-N 3.13Å |
| 48 | S | 60.2 | Low | 60.9 | Low | 130 Ų | 130 | 122 Ų | 122 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -3.6 | -174.1 | -57.8 | 0 | 0 | 0 | 0 | 115 | P46 | P46-S48 PolarHBondContact O-N 3.49Š|
| 49 | D | 61.7 | Low | 61.3 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 0.8 | 176.7 | -164 | 30.4 | 0 | 0 | 0 | 113.8 | P47 G51 | P47-D49 PolarHBondContact O-N 3.48Å; D49-G51 PolarHBondContact O-N 3.44Å |
| 50 | M | 55 | Low | 61.8 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | | | trans | -85.2 | 20.3 | 173.9 | -69 | -170.4 | 66 | 0 | 0 | 113.9 | P47 S52 | P47-M50 HydrophobicContact CG-CG 4.34Å; P47-M50 HydrophobicContact CG-SD 4.38Å; P47-M50 PolarHBondContact O-N 3.48Å; P47-M50 VanDerWaalsContact O-N 3.13Å; M50-S52 PolarHBondContact O-N 3.18Å; M50-S52 VanDerWaalsContact O-N 3.13Å |
| 51 | G | 54.3 | Low | 61.9 | Low | 54 Ų | 54 | 118.8 Ų | 118.8 | 56% | 0.557 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -64.9 | 108.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D49 V53 | D49-G51 PolarHBondContact O-N 3.44Å; G51-V53 PolarHBondContact O-N 3.13Å |
| 52 | S | 62.7 | Low | 61.9 | Low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | | | trans | 43.1 | 64.2 | 164.7 | 65.7 | 0 | 0 | 0 | 0 | 115.3 | M50 P54 | M50-S52 PolarHBondContact O-N 3.18Å; M50-S52 VanDerWaalsContact O-N 3.13Å; S52-P54 WeakPolarHBondContact O-CD 3.44Å |
| 53 | V | 59.4 | Low | 62 | Low | 105 Ų | 105 | 129.1 Ų | 129.1 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | | | trans | -81 | 105.6 | 158.8 | -175.3 | 0 | 0 | 0 | 0 | 106.5 | G51 W55 | G51-V53 PolarHBondContact O-N 3.13Å; V53-W55 PolarHBondContact O-N 3.42Å |
| 54 | P | 60.3 | Low | 61.6 | Low | 95 Ų | 95 | 128.9 Ų | 128.9 | 62% | 0.617 | 70% | 0.695 | S | S | * | * | | | trans | -60.3 | 117 | 165.8 | 25.5 | -31.3 | 0 | 0 | 0 | 106 | S52 K56 | S52-P54 WeakPolarHBondContact O-CD 3.44Å; P54-K56 PolarHBondContact O-N 3.25Å |
| 55 | W | 51.3 | Low | 61.4 | Low | 247 Ų | 247 | 128.9 Ų | 128.9 | 94% | 0.936 | 69% | 0.687 | S | S | * | * | | | trans | -59.5 | 87.4 | 172 | -67.9 | 83.1 | 0 | 0 | 0 | 108 | V53 P57 | V53-W55 PolarHBondContact O-N 3.42Å; W55-P57 WeakPolarHBondContact O-CD 3.4Å |
| 56 | K | 62.4 | Low | 61.1 | Low | 171 Ų | 171 | 131.7 Ų | 131.7 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | | | trans | -78.9 | 117.2 | 169.4 | -75.9 | -172.6 | 176.1 | -178 | 0 | 106 | P54 V58 | P54-K56 PolarHBondContact O-N 3.25Å; K56-V58 PolarHBondContact O-N 2.78Å |
| 57 | P | 60.7 | Low | 60.6 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | | | trans | -61.4 | 113.6 | 171.6 | 25.5 | -31.3 | 0 | 0 | 0 | 107.6 | W55 I59 | W55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-I59 HydrophobicContact CB-CG1 4.26Å; P57-I59 PolarHBondContact O-N 3.45Å |
| 58 | V | 73.1 | Confident | 59.9 | Low | 134 Ų | 134 | 133.7 Ų | 133.7 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | | | trans | -73.8 | 88.4 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 106.1 | K56 P60 | K56-V58 PolarHBondContact O-N 2.78Å; V58-P60 VanDerWaalsContact O-CD 3.28Å; V58-P60 WeakPolarHBondContact O-CD 3.44Å |
| 59 | I | 68.7 | Low | 59.5 | Low | 106 Ų | 106 | 135.5 Ų | 135.5 | 54% | 0.544 | 69% | 0.693 | S | S | . | * | | | trans | -76.5 | 117.3 | 172.8 | -60.7 | 172.5 | 0 | 0 | 0 | 106.7 | P57 E61 Y64 | P57-I59 HydrophobicContact CB-CG1 4.26Å; P57-I59 PolarHBondContact O-N 3.45Å; I59-E61 PolarHBondContact O-N 3.05Å; I59-Y64 HydrophobicContact CG2-CD2 4.4Å; I59-Y64 HydrophobicContact CG2-CE2 3.91Å |
| 60 | P | 67.4 | Low | 58.9 | Low | 70 Ų | 70 | 134.6 Ų | 134.6 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | | | trans | -67.6 | 108.1 | 176.7 | -19.1 | 33.5 | 0 | 0 | 0 | 109.8 | V58 R62 K63 | V58-P60 VanDerWaalsContact O-CD 3.28Å; V58-P60 WeakPolarHBondContact O-CD 3.44Å; P60-R62 PolarHBondContact O-N 3.39Å; P60-K63 PolarHBondContact O-N 3.16Å |
| 61 | E | 60.8 | Low | 58.8 | Low | 160 Ų | 160 | 136.7 Ų | 136.7 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -57.9 | -14.1 | -178.3 | -63.9 | -174.8 | 169.1 | 0 | 0 | 113.9 | I59 K63 | I59-E61 PolarHBondContact O-N 3.05Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 3.32Å |
| 62 | R | 61.3 | Low | 58.5 | Low | 221 Ų | 221 | 143.2 Ų | 143.2 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -74.4 | -15.3 | -178.9 | -63.3 | -175.6 | -176 | 159.5 | 1.8 | 114.6 | P60 | P60-R62 PolarHBondContact O-N 3.39Š|
| 63 | K | 59.9 | Low | 57.5 | Low | 154 Ų | 154 | 141.2 Ų | 141.2 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -86.8 | -10.9 | -176.8 | -51.8 | -163.8 | -155.3 | -174.2 | 0 | 114.3 | P60 E61 | P60-K63 PolarHBondContact O-N 3.16Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 3.32Å |
| 64 | Y | 58.5 | Low | 56.3 | Low | 145 Ų | 145 | 145.6 Ų | 145.6 | 57% | 0.569 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -118.3 | -2.9 | -170.4 | -61.3 | -78.1 | 0 | 0 | 0 | 114.8 | I59 H66 L67 | I59-Y64 HydrophobicContact CG2-CD2 4.4Å; I59-Y64 HydrophobicContact CG2-CE2 3.91Å; Y64-H66 PolarHBondContact O-N 3.28Å; Y64-L67 PolarHBondContact O-N 3.05Å |
| 65 | Q | 58.8 | Low | 55.5 | Low | 116 Ų | 116 | 145.2 Ų | 145.2 | 54% | 0.542 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.3 | -16 | -180 | -74 | -175 | -2.9 | 0 | 0 | 114.6 | | |
| 66 | H | 57.1 | Low | 54.6 | Low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -14.6 | 179.1 | -70.9 | -73.8 | 0 | 0 | 0 | 114 | Y64 | Y64-H66 PolarHBondContact O-N 3.28Š|
| 67 | L | 54.2 | Low | 53.3 | Low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -23.8 | 178.2 | -66.7 | 172.7 | 0 | 0 | 0 | 112.7 | Y64 | Y64-L67 PolarHBondContact O-N 3.05Š|
| 68 | A | 50.3 | Low | 52.5 | Low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -6.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 69 | K | 51.2 | Low | 50.9 | Low | 168 Ų | 168 | 139.3 Ų | 139.3 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 11.1 | -177.2 | -68.8 | -175.6 | 178.4 | -176 | 0 | 114.5 | | |
| 70 | V | 48.4 | Very low | 49.2 | Very low | 131 Ų | 131 | 140 Ų | 140 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -98.5 | -8 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 71 | E | 53.1 | Low | 47.6 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -109.9 | 6.8 | -171 | -152.2 | -177.6 | 157 | 0 | 0 | 115.7 | | |
| 72 | E | 49.4 | Very low | 46.5 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -142.6 | 103.8 | 177.1 | -123.4 | -178.9 | 177.1 | 0 | 0 | 112.9 | | |
| 73 | G | 42.1 | Very low | 45.1 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | | | trans | 91.7 | 89.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 74 | E | 32.2 | Very low | 43.9 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | | -166.9 | 101.2 | 118.9 | -103.4 | 179.3 | -159.9 | 0 | 0 | 110.6 | N76 | E74-N76 PolarHBondContact O-N 2.69Š|
| 75 | A | 44.3 | Very low | 42.6 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | trans | -68.6 | 117.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 76 | N | 32.9 | Very low | 41.7 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | 156.3 | 93.9 | 139.1 | -79.1 | -51.4 | 0 | 0 | 0 | 112.9 | E74 | E74-N76 PolarHBondContact O-N 2.69Š|
| 77 | L | 35.8 | Very low | 40.8 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | 64.5 | 154.9 | 143.8 | -55.7 | 172.9 | 0 | 0 | 0 | 121.6 | | |
| 78 | P | 42 | Very low | 40 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | cis | -118.2 | 159 | -31.9 | 36.6 | -22.3 | 0 | 0 | 0 | 113.1 | S80 | P78-S80 PolarHBondContact O-N 3.13Š|
| 79 | S | 40.4 | Very low | 39.5 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -41.7 | 117.6 | 169.2 | -166.8 | 0 | 0 | 0 | 0 | 113.6 | A81 | S79-A81 PolarHBondContact O-N 2.99Š|
| 80 | S | 33.8 | Very low | 38.9 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -89.4 | 88.3 | 153.5 | -165.7 | 0 | 0 | 0 | 0 | 107.3 | P78 M82 | P78-S80 PolarHBondContact O-N 3.13Å; S80-M82 PolarHBondContact O-N 2.89Å |
| 81 | A | 33.4 | Very low | 38.9 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 60% | 0.595 | 79% | 0.786 | S | S | * | * | | | trans | -62.8 | 101.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S79 T83 | S79-A81 PolarHBondContact O-N 2.99Å; A81-T83 VanDerWaalsContact C-N 3.29Å; A81-T83 PolarHBondContact O-N 3.36Å; A81-T83 VanDerWaalsContact O-N 3.13Å |
| 82 | M | 37.4 | Very low | 38.1 | Very low | 188 Ų | 188 | 129.5 Ų | 129.5 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | | | trans | -73.6 | 96.1 | 152.1 | -93.6 | -165.1 | 135.9 | 0 | 0 | 107.6 | S80 L84 | S80-M82 PolarHBondContact O-N 2.89Å; M82-L84 PolarHBondContact O-N 3.07Å; M82-L84 VanDerWaalsContact O-N 3.13Å |
| 83 | T | 31.7 | Very low | 38 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | trans | -48.8 | 107.4 | 166.2 | -46.9 | 0 | 0 | 0 | 0 | 110.6 | A81 | A81-T83 VanDerWaalsContact C-N 3.29Å; A81-T83 PolarHBondContact O-N 3.36Å; A81-T83 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 35.1 | Very low | 37.9 | Very low | 174 Ų | 174 | 132 Ų | 132 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | | | trans | -114.9 | 105.9 | 144.4 | -82.1 | 171 | 0 | 0 | 0 | 106.8 | M82 S86 | M82-L84 PolarHBondContact O-N 3.07Å; M82-L84 VanDerWaalsContact O-N 3.13Å; L84-S86 PolarHBondContact O-N 3.45Å |
| 85 | S | 31.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -52.4 | 118.9 | -173.9 | -158.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 86 | S | 39.4 | Very low | 39.2 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 88% | 0.881 | 77% | 0.772 | S | S | * | * | | | trans | -83.5 | 108.3 | 158.3 | -170.1 | 0 | 0 | 0 | 0 | 107.5 | L84 | L84-S86 PolarHBondContact O-N 3.45Š|
| 87 | A | 38.6 | Very low | 40 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | | | trans | -157.4 | 99.7 | 164 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 88 | I | 37.4 | Very low | 40.6 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | | -169.8 | 123.9 | 99.8 | 45 | 173.4 | 0 | 0 | 0 | 108.9 | S90 | I88-S90 PolarHBondContact O-N 2.99Š|
| 89 | D | 39.1 | Very low | 41.3 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -52.1 | 111.9 | 152.3 | -176.8 | 15.1 | 0 | 0 | 0 | 108.5 | | |
| 90 | S | 39.8 | Very low | 42 | Very low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | | | trans | -141 | 103.9 | 157.4 | 66.4 | 0 | 0 | 0 | 0 | 107.4 | I88 D92 | I88-S90 PolarHBondContact O-N 2.99Å; S90-D92 VanDerWaalsContact C-N 3.27Å; S90-D92 PolarHBondContact O-N 3.18Å |
| 91 | V | 47.8 | Very low | 43 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | -45 | 98.3 | 154.2 | 171.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 92 | D | 37 | Very low | 44.3 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | -136.8 | 131.6 | 165.5 | -154.6 | 11.1 | 0 | 0 | 0 | 110 | S90 V94 | S90-D92 VanDerWaalsContact C-N 3.27Å; S90-D92 PolarHBondContact O-N 3.18Å; D92-V94 PolarHBondContact O-N 2.89Å; D92-V94 VanDerWaalsContact O-N 3.11Å |
| 93 | K | 47.4 | Very low | 45.4 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 81% | 0.809 | 73% | 0.733 | S | S | * | * | | | trans | -65.4 | 113.9 | -163.8 | -64.3 | 179.3 | 178.5 | -175.7 | 0 | 108.6 | P95 | K93-P95 WeakPolarHBondContact O-CD 3.35Š|
| 94 | V | 39.7 | Very low | 47.3 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | | | trans | -54.8 | 110.1 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | D92 V96 | D92-V94 PolarHBondContact O-N 2.89Å; D92-V94 VanDerWaalsContact O-N 3.11Å; V94-V96 PolarHBondContact O-N 2.81Å |
| 95 | P | 49.5 | Very low | 49.2 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | | | trans | -74.9 | 121.8 | 170 | 24.3 | -15.7 | 0 | 0 | 0 | 106.5 | K93 V97 | K93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-V97 HydrophobicContact CB-CG2 4.06Å; P95-V97 HydrophobicContact CG-CG2 4.18Å; P95-V97 PolarHBondContact O-N 2.9Å |
| 96 | V | 54.9 | Low | 51 | Low | 142 Ų | 142 | 124.4 Ų | 124.4 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | | | trans | -63.5 | 84.4 | 166 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | V94 K98 | V94-V96 PolarHBondContact O-N 2.81Å; V96-K98 PolarHBondContact O-N 2.92Å |
| 97 | V | 49.5 | Very low | 52.4 | Low | 113 Ų | 113 | 121.6 Ų | 121.6 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | | | trans | -83.7 | 112.4 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | P95 A99 | P95-V97 HydrophobicContact CB-CG2 4.06Å; P95-V97 HydrophobicContact CG-CG2 4.18Å; P95-V97 PolarHBondContact O-N 2.9Å; V97-A99 PolarHBondContact O-N 2.83Å |
| 98 | K | 48.6 | Very low | 54 | Low | 184 Ų | 184 | 120.8 Ų | 120.8 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | | | trans | -45.8 | 134.4 | 176.6 | -65.8 | -178.5 | -162.9 | 173 | 0 | 110.7 | V96 K100 | V96-K98 PolarHBondContact O-N 2.92Å; K98-K100 PolarHBondContact O-N 2.99Å |
| 99 | A | 55 | Low | 55.8 | Low | 93 Ų | 93 | 119.1 Ų | 119.1 | 77% | 0.769 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -58.4 | 61.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V97 | V97-A99 PolarHBondContact O-N 2.83Š|
| 100 | K | 54.8 | Low | 57.6 | Low | 189 Ų | 189 | 116 Ų | 116 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | | | trans | -121.1 | 10.6 | 176.2 | -157.4 | 170.8 | 175.9 | -174.8 | 0 | 113.6 | K98 | K98-K100 PolarHBondContact O-N 2.99Š|
| 101 | A | 54.9 | Low | 59.2 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -106 | -18.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I105 | A101-I105 WeakPolarHBondContact O-CG1 3.44Š|
| 102 | T | 60.9 | Low | 60.6 | Low | 85 Ų | 85 | 115 Ų | 115 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.9 | -31.4 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 112.7 | V104 I105 M106 | T102-V104 PolarHBondContact O-N 3Å; T102-I105 PolarHBondContact O-N 3.32Å; T102-M106 WeakPolarHBondContact O-CB 3.16Å; T102-M106 VanDerWaalsContact O-CG 3.24Å; T102-M106 WeakPolarHBondContact O-CG 3.03Å; T102-M106 PolarHBondContact O-N 2.93Å |
| 103 | H | 60.3 | Low | 62.6 | Low | 129 Ų | 129 | 114.1 Ų | 114.1 | 60% | 0.597 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.8 | -36.1 | -178.3 | -177.9 | -94 | 0 | 0 | 0 | 113.5 | N107 | H103-N107 PolarHBondContact CD2-ND2 3.4Å; H103-N107 PolarHBondContact CE1-ND2 3Å; H103-N107 PolarHBondContact ND1-ND2 3.33Å; H103-N107 PolarHBondContact NE2-ND2 2.96Å; H103-N107 VanDerWaalsContact O-CB 3.27Å; H103-N107 WeakPolarHBondContact O-CB 3.38Å; H103-N107 PolarHBondContact O-N 3.04Å; H103-N107 PolarHBondContact O-ND2 3.26Å |
| 104 | V | 71.8 | Confident | 64.2 | Low | 103 Ų | 103 | 108.5 Ų | 108.5 | 62% | 0.624 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.3 | -41.8 | 178.5 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | T102 S108 | T102-V104 PolarHBondContact O-N 3Å; V104-S108 WeakPolarHBondContact O-CB 3.33Å; V104-S108 PolarHBondContact O-N 3.3Å |
| 105 | I | 75.9 | Confident | 66.2 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 61% | 0.61 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.2 | -43.6 | 178.7 | -60.5 | 169.9 | 0 | 0 | 0 | 110.3 | A101 T102 S108 L109 | A101-I105 WeakPolarHBondContact O-CG1 3.44Å; T102-I105 PolarHBondContact O-N 3.32Å; I105-S108 PolarHBondContact O-N 3.42Å; I105-L109 WeakPolarHBondContact O-CB 3.47Å; I105-L109 PolarHBondContact O-N 3.13Å |
| 106 | M | 69.8 | Low | 67.5 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 57% | 0.567 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.2 | -41.4 | 178.6 | -66.2 | -139.3 | -54.8 | 0 | 0 | 112.7 | T102 S108 L109 I110 | T102-M106 WeakPolarHBondContact O-CB 3.16Å; T102-M106 VanDerWaalsContact O-CG 3.24Å; T102-M106 WeakPolarHBondContact O-CG 3.03Å; T102-M106 PolarHBondContact O-N 2.93Å; M106-S108 VanDerWaalsContact C-N 3.32Å; M106-S108 PolarHBondContact O-N 3.21Å; M106-L109 PolarHBondContact O-N 2.86Å; M106-I110 WeakPolarHBondContact O-CB 3.28Å; M106-I110 WeakPolarHBondContact O-CD1 3.46Å; M106-I110 WeakPolarHBondContact O-CG1 3.25Å; M106-I110 PolarHBondContact O-N 3.24Å |
| 107 | N | 68.4 | Low | 68.7 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 36% | 0.358 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -39.1 | 173 | -86.8 | -62.1 | 0 | 0 | 0 | 111.7 | H103 L109 I110 T111 | H103-N107 PolarHBondContact CD2-ND2 3.4Å; H103-N107 PolarHBondContact CE1-ND2 3Å; H103-N107 PolarHBondContact ND1-ND2 3.33Å; H103-N107 PolarHBondContact NE2-ND2 2.96Å; H103-N107 VanDerWaalsContact O-CB 3.27Å; H103-N107 WeakPolarHBondContact O-CB 3.38Å; H103-N107 PolarHBondContact O-N 3.04Å; H103-N107 PolarHBondContact O-ND2 3.26Å; N107-L109 VanDerWaalsContact C-N 3.33Å; N107-L109 PolarHBondContact O-N 3.23Å; N107-I110 PolarHBondContact O-N 2.85Å; N107-T111 WeakPolarHBondContact O-CB 3.5Å; N107-T111 WeakPolarHBondContact O-CG2 3.24Å; N107-T111 PolarHBondContact O-N 3.11Å; N107-T111 PolarHBondContact O-OG1 3.31Å |
| 108 | S | 71.1 | Confident | 70.3 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 40% | 0.399 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | V104 I105 M106 T111 K112 | V104-S108 WeakPolarHBondContact O-CB 3.33Å; V104-S108 PolarHBondContact O-N 3.3Å; I105-S108 PolarHBondContact O-N 3.42Å; M106-S108 VanDerWaalsContact C-N 3.32Å; M106-S108 PolarHBondContact O-N 3.21Å; S108-T111 PolarHBondContact O-OG1 3.23Å; S108-K112 VanDerWaalsContact O-CB 3.26Å; S108-K112 WeakPolarHBondContact O-CB 3.1Å; S108-K112 VanDerWaalsContact O-CG 3.28Å; S108-K112 WeakPolarHBondContact O-CG 3.28Å; S108-K112 PolarHBondContact O-N 3.08Å |
| 109 | L | 76.6 | Confident | 71.9 | Confident | 114 Ų | 114 | 98.1 Ų | 98.1 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 176.4 | -174.1 | 64.5 | 0 | 0 | 0 | 111.6 | I105 M106 N107 K112 Q113 | I105-L109 WeakPolarHBondContact O-CB 3.47Å; I105-L109 PolarHBondContact O-N 3.13Å; M106-L109 PolarHBondContact O-N 2.86Å; N107-L109 VanDerWaalsContact C-N 3.33Å; N107-L109 PolarHBondContact O-N 3.23Å; L109-K112 PolarHBondContact O-N 3.07Å; L109-Q113 WeakPolarHBondContact O-CB 3.41Å; L109-Q113 PolarHBondContact O-N 3.13Å |
| 110 | I | 75.5 | Confident | 73 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | -179.8 | -66 | 161.8 | 0 | 0 | 0 | 110.9 | M106 N107 T114 | M106-I110 WeakPolarHBondContact O-CB 3.28Å; M106-I110 WeakPolarHBondContact O-CD1 3.46Å; M106-I110 WeakPolarHBondContact O-CG1 3.25Å; M106-I110 PolarHBondContact O-N 3.24Å; N107-I110 PolarHBondContact O-N 2.85Å; I110-T114 WeakPolarHBondContact O-CB 3.43Å; I110-T114 PolarHBondContact O-N 2.98Å; I110-T114 PolarHBondContact O-OG1 3.13Å |
| 111 | T | 73.8 | Confident | 74.2 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -39.6 | 179.5 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | N107 S108 T114 Q115 | N107-T111 WeakPolarHBondContact O-CB 3.5Å; N107-T111 WeakPolarHBondContact O-CG2 3.24Å; N107-T111 PolarHBondContact O-N 3.11Å; N107-T111 PolarHBondContact O-OG1 3.31Å; S108-T111 PolarHBondContact O-OG1 3.23Å; T111-T114 PolarHBondContact O-N 3.26Å; T111-Q115 WeakPolarHBondContact O-CB 3.07Å; T111-Q115 PolarHBondContact O-N 3.31Å |
| 112 | K | 77.3 | Confident | 75.4 | Confident | 127 Ų | 127 | 96.9 Ų | 96.9 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 173.3 | -76.9 | -161.9 | 175.3 | -163 | 0 | 111.6 | S108 L109 T114 Q115 E116 | S108-K112 VanDerWaalsContact O-CB 3.26Å; S108-K112 WeakPolarHBondContact O-CB 3.1Å; S108-K112 VanDerWaalsContact O-CG 3.28Å; S108-K112 WeakPolarHBondContact O-CG 3.28Å; S108-K112 PolarHBondContact O-N 3.08Å; L109-K112 PolarHBondContact O-N 3.07Å; K112-T114 VanDerWaalsContact C-N 3.28Å; K112-T114 PolarHBondContact O-N 3.37Å; K112-Q115 PolarHBondContact O-N 2.85Å; K112-E116 WeakPolarHBondContact O-CB 3.45Å; K112-E116 VanDerWaalsContact O-CD 3.24Å; K112-E116 WeakPolarHBondContact O-CG 3.22Å; K112-E116 PolarHBondContact O-N 3.03Å |
| 113 | Q | 79.8 | Confident | 76.4 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 176 | -171.3 | 179.5 | 0.1 | 0 | 0 | 112.4 | L109 E116 S117 | L109-Q113 WeakPolarHBondContact O-CB 3.41Å; L109-Q113 PolarHBondContact O-N 3.13Å; Q113-E116 VanDerWaalsContact CA-OE1 3.27Å; Q113-E116 WeakPolarHBondContact CA-OE1 3.19Å; Q113-E116 WeakPolarHBondContact O-CG 3.4Å; Q113-S117 WeakPolarHBondContact O-CB 3.44Å; Q113-S117 PolarHBondContact O-N 2.83Å |
| 114 | T | 79.6 | Confident | 77.2 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.1 | -42.3 | 178 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | I110 T111 K112 S117 I118 | I110-T114 WeakPolarHBondContact O-CB 3.43Å; I110-T114 PolarHBondContact O-N 2.98Å; I110-T114 PolarHBondContact O-OG1 3.13Å; T111-T114 PolarHBondContact O-N 3.26Å; K112-T114 VanDerWaalsContact C-N 3.28Å; K112-T114 PolarHBondContact O-N 3.37Å; T114-S117 PolarHBondContact O-N 2.76Å; T114-I118 HydrophobicContact CG2-CD1 3.68Å; T114-I118 HydrophobicContact CG2-CG1 4.34Å; T114-I118 WeakPolarHBondContact O-CB 3.34Å; T114-I118 WeakPolarHBondContact O-CG1 3.27Å; T114-I118 PolarHBondContact O-N 3.4Å |
| 115 | Q | 81.8 | Confident | 77.2 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | -179.6 | -176.7 | 173.7 | 12.4 | 0 | 0 | 111.7 | T111 K112 Q119 | T111-Q115 WeakPolarHBondContact O-CB 3.07Å; T111-Q115 PolarHBondContact O-N 3.31Å; K112-Q115 PolarHBondContact O-N 2.85Å; Q115-Q119 WeakPolarHBondContact O-CB 3.22Å; Q115-Q119 VanDerWaalsContact O-CG 3.28Å; Q115-Q119 WeakPolarHBondContact O-CG 3.13Å; Q115-Q119 PolarHBondContact O-N 2.72Å |
| 116 | E | 78.2 | Confident | 76.9 | Confident | 101 Ų | 101 | 97.5 Ų | 97.5 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 175.9 | 69.8 | -152.3 | -178.6 | 0 | 0 | 111.2 | K112 Q113 I118 Q119 H120 | K112-E116 WeakPolarHBondContact O-CB 3.45Å; K112-E116 VanDerWaalsContact O-CD 3.24Å; K112-E116 WeakPolarHBondContact O-CG 3.22Å; K112-E116 PolarHBondContact O-N 3.03Å; Q113-E116 VanDerWaalsContact CA-OE1 3.27Å; Q113-E116 WeakPolarHBondContact CA-OE1 3.19Å; Q113-E116 WeakPolarHBondContact O-CG 3.4Å; E116-I118 PolarHBondContact O-N 3.1Å; E116-Q119 PolarHBondContact O-N 3.28Å; E116-H120 WeakPolarHBondContact O-CB 3.18Å; E116-H120 PolarHBondContact O-CD2 3.27Å; E116-H120 PolarHBondContact O-N 3.45Å |
| 117 | S | 80.3 | Confident | 76.7 | Confident | 74 Ų | 74 | 98 Ų | 98 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | Q113 T114 F121 | Q113-S117 WeakPolarHBondContact O-CB 3.44Å; Q113-S117 PolarHBondContact O-N 2.83Å; T114-S117 PolarHBondContact O-N 2.76Å; S117-F121 VanDerWaalsContact O-CB 3.28Å; S117-F121 WeakPolarHBondContact O-CB 3.46Å; S117-F121 PolarHBondContact O-N 3.12Å |
| 118 | I | 81.6 | Confident | 76.6 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 177.8 | -70.8 | 166.4 | 0 | 0 | 0 | 109.9 | T114 E116 H120 F121 E122 | T114-I118 HydrophobicContact CG2-CD1 3.68Å; T114-I118 HydrophobicContact CG2-CG1 4.34Å; T114-I118 WeakPolarHBondContact O-CB 3.34Å; T114-I118 WeakPolarHBondContact O-CG1 3.27Å; T114-I118 PolarHBondContact O-N 3.4Å; E116-I118 PolarHBondContact O-N 3.1Å; I118-H120 VanDerWaalsContact C-N 3.32Å; I118-H120 PolarHBondContact O-N 2.97Å; I118-F121 WeakPolarHBondContact O-CB 3.28Å; I118-F121 PolarHBondContact O-N 3.21Å; I118-F121 VanDerWaalsContact O-N 3.16Å; I118-E122 HydrophobicContact CG2-CG 4.27Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.21Å; I118-E122 WeakPolarHBondContact O-CB 3.35Å; I118-E122 VanDerWaalsContact O-CG 3.29Å; I118-E122 WeakPolarHBondContact O-CG 3.48Å; I118-E122 PolarHBondContact O-N 3.46Å |
| 119 | Q | 81.9 | Confident | 76 | Confident | 78 Ų | 78 | 103 Ų | 103 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 178.2 | -72.9 | 178.8 | 19.6 | 0 | 0 | 112.7 | Q115 E116 R123 | Q115-Q119 WeakPolarHBondContact O-CB 3.22Å; Q115-Q119 VanDerWaalsContact O-CG 3.28Å; Q115-Q119 WeakPolarHBondContact O-CG 3.13Å; Q115-Q119 PolarHBondContact O-N 2.72Å; E116-Q119 PolarHBondContact O-N 3.28Å; Q119-R123 WeakPolarHBondContact O-CB 3.13Å; Q119-R123 VanDerWaalsContact O-CG 3.26Å; Q119-R123 WeakPolarHBondContact O-CG 3.49Å; Q119-R123 PolarHBondContact O-N 2.85Å |
| 120 | H | 78.9 | Confident | 75.3 | Confident | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 173.5 | -83.7 | -70.4 | 0 | 0 | 0 | 111.7 | E116 I118 R123 Q124 | E116-H120 WeakPolarHBondContact O-CB 3.18Å; E116-H120 PolarHBondContact O-CD2 3.27Å; E116-H120 PolarHBondContact O-N 3.45Å; I118-H120 VanDerWaalsContact C-N 3.32Å; I118-H120 PolarHBondContact O-N 2.97Å; H120-R123 PolarHBondContact O-N 2.99Å; H120-Q124 WeakPolarHBondContact O-CB 3.48Å; H120-Q124 PolarHBondContact O-N 2.88Å |
| 121 | F | 79.6 | Confident | 74.3 | Confident | 132 Ų | 132 | 100.4 Ų | 100.4 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 174.5 | 174 | -98.6 | 0 | 0 | 0 | 111.7 | S117 I118 R123 Q124 A125 | S117-F121 VanDerWaalsContact O-CB 3.28Å; S117-F121 WeakPolarHBondContact O-CB 3.46Å; S117-F121 PolarHBondContact O-N 3.12Å; I118-F121 WeakPolarHBondContact O-CB 3.28Å; I118-F121 PolarHBondContact O-N 3.21Å; I118-F121 VanDerWaalsContact O-N 3.16Å; F121-R123 PolarHBondContact O-N 3.01Å; F121-Q124 PolarHBondContact O-N 3.42Å; F121-A125 HydrophobicContact CZ-CB 4.46Å; F121-A125 WeakPolarHBondContact O-CB 3.27Å; F121-A125 PolarHBondContact O-N 3.29Å |
| 122 | E | 81.3 | Confident | 73.2 | Confident | 73 Ų | 73 | 103.9 Ų | 103.9 | 34% | 0.341 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.1 | -45 | 176.5 | -73.4 | 170.2 | 172.2 | 0 | 0 | 111.5 | I118 A125 G126 L127 | I118-E122 HydrophobicContact CG2-CG 4.27Å; I118-E122 WeakPolarHBondContact CG2-OE1 3.21Å; I118-E122 WeakPolarHBondContact O-CB 3.35Å; I118-E122 VanDerWaalsContact O-CG 3.29Å; I118-E122 WeakPolarHBondContact O-CG 3.48Å; I118-E122 PolarHBondContact O-N 3.46Å; E122-A125 PolarHBondContact O-N 3.5Å; E122-G126 PolarHBondContact O-N 2.92Å; E122-G126 VanDerWaalsContact O-N 3.12Å; E122-L127 PolarHBondContact O-N 3.48Å |
| 123 | R | 81.6 | Confident | 72.5 | Confident | 159 Ų | 159 | 103.8 Ų | 103.8 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -41.1 | 174.6 | -72.7 | 173.9 | -170.3 | 171.6 | 6.9 | 112.4 | Q119 H120 F121 G126 T128 | Q119-R123 WeakPolarHBondContact O-CB 3.13Å; Q119-R123 VanDerWaalsContact O-CG 3.26Å; Q119-R123 WeakPolarHBondContact O-CG 3.49Å; Q119-R123 PolarHBondContact O-N 2.85Å; H120-R123 PolarHBondContact O-N 2.99Å; F121-R123 PolarHBondContact O-N 3.01Å; R123-G126 PolarHBondContact O-N 2.68Å; R123-T128 HydrophobicContact CB-CG2 4.42Å; R123-T128 HydrophobicContact CG-CG2 3.79Å |
| 124 | Q | 77.5 | Confident | 71.4 | Confident | 175 Ų | 175 | 101 Ų | 101 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.9 | -31.2 | -178.7 | -172 | 168 | 10.8 | 0 | 0 | 112.5 | H120 F121 G126 | H120-Q124 WeakPolarHBondContact O-CB 3.48Å; H120-Q124 PolarHBondContact O-N 2.88Å; F121-Q124 PolarHBondContact O-N 3.42Å; Q124-G126 VanDerWaalsContact C-N 3.28Å |
| 125 | A | 70.6 | Confident | 70.3 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -2.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | F121 E122 L127 | F121-A125 HydrophobicContact CZ-CB 4.46Å; F121-A125 WeakPolarHBondContact O-CB 3.27Å; F121-A125 PolarHBondContact O-N 3.29Å; E122-A125 PolarHBondContact O-N 3.5Å; A125-L127 HydrophobicContact CB-CB 4.42Å; A125-L127 PolarHBondContact O-N 2.83Å |
| 126 | G | 69.8 | Low | 69.2 | Low | 53 Ų | 53 | 108 Ų | 108 | 55% | 0.546 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.9 | 16.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | E122 R123 Q124 T128 | E122-G126 PolarHBondContact O-N 2.92Å; E122-G126 VanDerWaalsContact O-N 3.12Å; R123-G126 PolarHBondContact O-N 2.68Å; Q124-G126 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.43Å; G126-T128 VanDerWaalsContact O-N 3.14Å |
| 127 | L | 66.5 | Low | 68.3 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | | | trans | -86.6 | 41.1 | 177 | -164.5 | 69.7 | 0 | 0 | 0 | 110.4 | E122 A125 | E122-L127 PolarHBondContact O-N 3.48Å; A125-L127 HydrophobicContact CB-CB 4.42Å; A125-L127 PolarHBondContact O-N 2.83Å |
| 128 | T | 66.6 | Low | 66.9 | Low | 62 Ų | 62 | 108.3 Ų | 108.3 | 38% | 0.38 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -95.7 | 144.6 | 167.8 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | R123 G126 A130 | R123-T128 HydrophobicContact CB-CG2 4.42Å; R123-T128 HydrophobicContact CG-CG2 3.79Å; G126-T128 PolarHBondContact O-N 3.43Å; G126-T128 VanDerWaalsContact O-N 3.14Å; T128-A130 CarbonylContact O-C 3.46Å; T128-A130 PolarHBondContact O-N 3.34Å |
| 129 | D | 57.6 | Low | 65.4 | Low | 169 Ų | 169 | 106.2 Ų | 106.2 | 90% | 0.904 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -47 | -15.6 | 176.8 | -167.8 | 33.1 | 0 | 0 | 0 | 114.7 | G131 | D129-G131 PolarHBondContact O-N 3.2Š|
| 130 | A | 62.8 | Low | 64.1 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -83.4 | 76.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T128 | T128-A130 CarbonylContact O-C 3.46Å; T128-A130 PolarHBondContact O-N 3.34Å |
| 131 | G | 54.6 | Low | 63 | Low | 60 Ų | 60 | 108.7 Ų | 108.7 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 173.8 | -18.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D129 T133 | D129-G131 PolarHBondContact O-N 3.2Å; G131-T133 PolarHBondContact O-N 2.99Å |
| 132 | Y | 50.2 | Low | 61.8 | Low | 151 Ų | 151 | 108.9 Ų | 108.9 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | | | trans | -78.2 | 92.7 | 175.5 | -162.5 | -104.9 | 0 | 0 | 0 | 109.6 | P134 H135 | Y132-P134 HydrophobicContact CD1-CG 4.24Å; Y132-P134 HydrophobicContact CE1-CB 4.36Å; Y132-P134 HydrophobicContact CE1-CG 4.45Å; Y132-P134 VanDerWaalsContact O-CD 3.23Å; Y132-P134 WeakPolarHBondContact O-CD 3.29Å; Y132-H135 AromaticContact CZ-CE1 3.69Å; Y132-H135 PolarHBondContact OH-CE1 3.22Å; Y132-H135 PolarHBondContact OH-NE2 3.41Å |
| 133 | T | 61.3 | Low | 60.7 | Low | 124 Ų | 124 | 109.1 Ų | 109.1 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | | | trans | -80.9 | 109.5 | 164.8 | -43.7 | 0 | 0 | 0 | 0 | 106.2 | G131 H135 | G131-T133 PolarHBondContact O-N 2.99Å; T133-H135 PolarHBondContact O-N 2.89Å; T133-H135 VanDerWaalsContact O-N 3.09Å |
| 134 | P | 56.7 | Low | 59.5 | Low | 56 Ų | 56 | 105.5 Ų | 105.5 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | | | trans | -59.2 | 121.9 | -179.3 | -21 | 33.8 | 0 | 0 | 0 | 108.8 | Y132 K136 T139 | Y132-P134 HydrophobicContact CD1-CG 4.24Å; Y132-P134 HydrophobicContact CE1-CB 4.36Å; Y132-P134 HydrophobicContact CE1-CG 4.45Å; Y132-P134 VanDerWaalsContact O-CD 3.23Å; Y132-P134 WeakPolarHBondContact O-CD 3.29Å; P134-K136 PolarHBondContact O-N 2.99Å; P134-T139 HydrophobicContact CB-CG2 3.66Å; P134-T139 HydrophobicContact CG-CG2 4.06Å |
| 135 | H | 56.8 | Low | 58.6 | Low | 106 Ų | 106 | 104.8 Ų | 104.8 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | | | trans | -57.3 | 131.5 | 165.5 | 26 | -78.5 | 0 | 0 | 0 | 106.8 | Y132 T133 G137 L138 | Y132-H135 AromaticContact CZ-CE1 3.69Å; Y132-H135 PolarHBondContact OH-CE1 3.22Å; Y132-H135 PolarHBondContact OH-NE2 3.41Å; T133-H135 PolarHBondContact O-N 2.89Å; T133-H135 VanDerWaalsContact O-N 3.09Å; H135-G137 PolarHBondContact O-N 2.96Å; H135-L138 PolarHBondContact O-N 3.38Å |
| 136 | K | 59.5 | Low | 58.1 | Low | 224 Ų | 224 | 107.9 Ų | 107.9 | 97% | 0.974 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 12.8 | -158.7 | -64.2 | -157 | 176.8 | -160.2 | 0 | 117.7 | P134 | P134-K136 PolarHBondContact O-N 2.99Š|
| 137 | G | 58 | Low | 57.8 | Low | 66 Ų | 66 | 114.8 Ų | 114.8 | 68% | 0.68 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 0.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | H135 | H135-G137 PolarHBondContact O-N 2.96Š|
| 138 | L | 50.9 | Low | 57.7 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -123.1 | 13.4 | -165.7 | -137.7 | 79.2 | 0 | 0 | 0 | 117.7 | H135 | H135-L138 PolarHBondContact O-N 3.38Š|
| 139 | T | 51.8 | Low | 57.5 | Low | 37 Ų | 37 | 112.4 Ų | 112.4 | 23% | 0.227 | 61% | 0.605 | C | S | . | * | | | trans | -132.8 | 15.6 | -175.2 | 55.1 | 0 | 0 | 0 | 0 | 116.7 | P134 E141 T143 | P134-T139 HydrophobicContact CB-CG2 3.66Å; P134-T139 HydrophobicContact CG-CG2 4.06Å; T139-E141 PolarHBondContact O-N 2.93Å; T139-T143 PolarHBondContact O-OG1 3.3Å |
| 140 | T | 52.9 | Low | 57.7 | Low | 122 Ų | 122 | 109.5 Ų | 109.5 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -16.7 | 177.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 141 | E | 55.8 | Low | 57.8 | Low | 123 Ų | 123 | 107.8 Ų | 107.8 | 58% | 0.575 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -23.6 | 179.9 | -65.7 | -149.9 | 113.1 | 0 | 0 | 115.5 | T139 K144 Y145 | T139-E141 PolarHBondContact O-N 2.93Å; E141-K144 WeakPolarHBondContact O-CE 3.2Å; E141-K144 WeakPolarHBondContact O-CG 3.4Å; E141-K144 IonicContact OE1-NZ 2.74Å; E141-K144 PolarHBondContact OE1-NZ 3.2Å; E141-Y145 WeakPolarHBondContact O-CD2 3.41Å; E141-Y145 VanDerWaalsContact O-CE2 3.31Å; E141-Y145 WeakPolarHBondContact O-CE2 3.28Å |
| 142 | E | 56 | Low | 58.4 | Low | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -88.3 | -31.2 | -177.6 | -63.8 | 177.4 | 155.3 | 0 | 0 | 111.9 | K144 Y145 L146 | E142-K144 PolarHBondContact O-N 3.12Å; E142-Y145 PolarHBondContact O-N 3.28Å; E142-L146 PolarHBondContact O-N 2.84Å |
| 143 | T | 57.6 | Low | 59 | Low | 79 Ų | 79 | 108.3 Ų | 108.3 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -26.2 | 179 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | T139 R147 | T139-T143 PolarHBondContact O-OG1 3.3Å; T143-R147 PolarHBondContact O-N 3.3Å |
| 144 | K | 56.6 | Low | 59 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 36% | 0.357 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -39.2 | 175.6 | 56.7 | -177.8 | -176.1 | -164.5 | 0 | 111.8 | E141 E142 V148 | E141-K144 WeakPolarHBondContact O-CE 3.2Å; E141-K144 WeakPolarHBondContact O-CG 3.4Å; E141-K144 IonicContact OE1-NZ 2.74Å; E141-K144 PolarHBondContact OE1-NZ 3.2Å; E142-K144 PolarHBondContact O-N 3.12Å; K144-V148 WeakPolarHBondContact O-CG2 3.26Å; K144-V148 PolarHBondContact O-N 3.22Å |
| 145 | Y | 57.9 | Low | 59.2 | Low | 160 Ų | 160 | 111.5 Ų | 111.5 | 63% | 0.627 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.7 | -37.4 | -179 | -65.1 | -72.9 | 0 | 0 | 0 | 112.4 | E141 E142 V148 A149 | E141-Y145 WeakPolarHBondContact O-CD2 3.41Å; E141-Y145 VanDerWaalsContact O-CE2 3.31Å; E141-Y145 WeakPolarHBondContact O-CE2 3.28Å; E142-Y145 PolarHBondContact O-N 3.28Å; Y145-V148 PolarHBondContact O-N 2.86Å; Y145-A149 WeakPolarHBondContact O-CB 3.22Å; Y145-A149 PolarHBondContact O-N 2.95Å |
| 146 | L | 61 | Low | 59.5 | Low | 126 Ų | 126 | 113.6 Ų | 113.6 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.2 | -43.7 | 175.6 | -70.3 | 172.9 | 0 | 0 | 0 | 112.1 | E142 V148 A149 E150 | E142-L146 PolarHBondContact O-N 2.84Å; L146-V148 PolarHBondContact O-N 3.48Å; L146-A149 PolarHBondContact O-N 2.78Å; L146-E150 PolarHBondContact O-N 2.81Å |
| 147 | R | 62.2 | Low | 59.5 | Low | 198 Ų | 198 | 109.9 Ų | 109.9 | 75% | 0.747 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.3 | -39.1 | 176.3 | -174.5 | 179.3 | -66 | -167 | -0.3 | 112.6 | T143 A151 | T143-R147 PolarHBondContact O-N 3.3Å; R147-A151 WeakPolarHBondContact O-CB 3.14Å; R147-A151 PolarHBondContact O-N 3.47Å |
| 148 | V | 64.6 | Low | 59.5 | Low | 94 Ų | 94 | 114.1 Ų | 114.1 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.2 | -39.5 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.2 | K144 Y145 L146 A151 L152 | K144-V148 WeakPolarHBondContact O-CG2 3.26Å; K144-V148 PolarHBondContact O-N 3.22Å; Y145-V148 PolarHBondContact O-N 2.86Å; L146-V148 PolarHBondContact O-N 3.48Å; V148-A151 PolarHBondContact O-N 3.16Å; V148-L152 WeakPolarHBondContact O-CB 3.28Å; V148-L152 PolarHBondContact O-N 2.89Å |
| 149 | A | 63 | Low | 59.7 | Low | 43 Ų | 43 | 113 Ų | 113 | 36% | 0.355 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.3 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y145 L146 L152 H153 | Y145-A149 WeakPolarHBondContact O-CB 3.22Å; Y145-A149 PolarHBondContact O-N 2.95Å; L146-A149 PolarHBondContact O-N 2.78Å; A149-L152 PolarHBondContact O-N 3.41Å; A149-H153 WeakPolarHBondContact O-CB 3.46Å; A149-H153 PolarHBondContact O-CD2 2.86Å; A149-H153 VanDerWaalsContact O-CD2 3.3Å; A149-H153 PolarHBondContact O-N 3.09Å |
| 150 | E | 61.8 | Low | 59.9 | Low | 109 Ų | 109 | 114.4 Ų | 114.4 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -42 | 176.5 | -156.3 | -165.1 | 154.8 | 0 | 0 | 111.9 | L146 L152 H153 K154 | L146-E150 PolarHBondContact O-N 2.81Å; E150-L152 PolarHBondContact O-N 2.86Å; E150-H153 PolarHBondContact O-N 3.39Å; E150-K154 WeakPolarHBondContact O-CG 3.35Å; E150-K154 PolarHBondContact O-N 3.36Å; E150-K154 WeakPolarHBondContact OE1-CE 3.16Å; E150-K154 IonicContact OE1-NZ 2.74Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å |
| 151 | A | 65.1 | Low | 59.5 | Low | 52 Ų | 52 | 117 Ų | 117 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.1 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R147 V148 H153 K154 L155 | R147-A151 WeakPolarHBondContact O-CB 3.14Å; R147-A151 PolarHBondContact O-N 3.47Å; V148-A151 PolarHBondContact O-N 3.16Å; A151-H153 VanDerWaalsContact C-N 3.34Å; A151-K154 PolarHBondContact O-N 2.87Å; A151-L155 WeakPolarHBondContact O-CB 3.26Å; A151-L155 PolarHBondContact O-N 2.88Å |
| 152 | L | 66.8 | Low | 59.2 | Low | 106 Ų | 106 | 118.5 Ų | 118.5 | 56% | 0.555 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.6 | -35.3 | 177.9 | -166.8 | 133.4 | 0 | 0 | 0 | 111.8 | V148 A149 E150 K156 | V148-L152 WeakPolarHBondContact O-CB 3.28Å; V148-L152 PolarHBondContact O-N 2.89Å; A149-L152 PolarHBondContact O-N 3.41Å; E150-L152 PolarHBondContact O-N 2.86Å; L152-K156 VanDerWaalsContact O-CB 3.31Å; L152-K156 WeakPolarHBondContact O-CB 3.47Å; L152-K156 PolarHBondContact O-N 3.04Å |
| 153 | H | 63.7 | Low | 58.5 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 53% | 0.532 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.7 | -41 | 174 | -70.1 | -174.4 | 0 | 0 | 0 | 112.1 | A149 E150 A151 K156 L157 | A149-H153 WeakPolarHBondContact O-CB 3.46Å; A149-H153 PolarHBondContact O-CD2 2.86Å; A149-H153 VanDerWaalsContact O-CD2 3.3Å; A149-H153 PolarHBondContact O-N 3.09Å; E150-H153 PolarHBondContact O-N 3.39Å; A151-H153 VanDerWaalsContact C-N 3.34Å; H153-K156 PolarHBondContact O-N 3.23Å; H153-L157 WeakPolarHBondContact O-CG 3.48Å; H153-L157 PolarHBondContact O-N 2.8Å; H153-L157 VanDerWaalsContact O-N 3.1Å |
| 154 | K | 60.9 | Low | 58 | Low | 124 Ų | 124 | 122.2 Ų | 122.2 | 54% | 0.539 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.6 | -42.7 | 174.6 | -70.4 | -176.8 | -155.1 | -72 | 0 | 112 | E150 A151 L157 Q158 | E150-K154 WeakPolarHBondContact O-CG 3.35Å; E150-K154 PolarHBondContact O-N 3.36Å; E150-K154 WeakPolarHBondContact OE1-CE 3.16Å; E150-K154 IonicContact OE1-NZ 2.74Å; E150-K154 PolarHBondContact OE1-NZ 3.46Å; A151-K154 PolarHBondContact O-N 2.87Å; K154-L157 PolarHBondContact O-N 3.34Å; K154-Q158 PolarHBondContact O-N 3.4Å; K154-Q158 VanDerWaalsContact O-N 3.09Å |
| 155 | L | 60.7 | Low | 57.5 | Low | 123 Ų | 123 | 126.2 Ų | 126.2 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.4 | -35.6 | 179.1 | -140.8 | 149.5 | 0 | 0 | 0 | 111.6 | A151 Q158 S159 | A151-L155 WeakPolarHBondContact O-CB 3.26Å; A151-L155 PolarHBondContact O-N 2.88Å; L155-Q158 PolarHBondContact O-N 3.4Å; L155-S159 WeakPolarHBondContact O-CB 3.45Å; L155-S159 PolarHBondContact O-N 2.87Å |
| 156 | K | 62.3 | Low | 56.5 | Low | 150 Ų | 150 | 126.4 Ų | 126.4 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.2 | -35.6 | 175.1 | -167.2 | 161.2 | 81.6 | 170.3 | 0 | 113 | L152 H153 | L152-K156 VanDerWaalsContact O-CB 3.31Å; L152-K156 WeakPolarHBondContact O-CB 3.47Å; L152-K156 PolarHBondContact O-N 3.04Å; H153-K156 PolarHBondContact O-N 3.23Å |
| 157 | L | 60.3 | Low | 55.6 | Low | 147 Ų | 147 | 130.5 Ų | 130.5 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.8 | -34.8 | 174.3 | -68.4 | 172.5 | 0 | 0 | 0 | 112.1 | H153 K154 S159 | H153-L157 WeakPolarHBondContact O-CG 3.48Å; H153-L157 PolarHBondContact O-N 2.8Å; H153-L157 VanDerWaalsContact O-N 3.1Å; K154-L157 PolarHBondContact O-N 3.34Å; L157-S159 VanDerWaalsContact C-N 3.33Å |
| 158 | Q | 57 | Low | 54.4 | Low | 155 Ų | 155 | 129.1 Ų | 129.1 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76 | -21.4 | 177.4 | -155.6 | 173.5 | 9 | 0 | 0 | 113.2 | K154 L155 | K154-Q158 PolarHBondContact O-N 3.4Å; K154-Q158 VanDerWaalsContact O-N 3.09Å; L155-Q158 PolarHBondContact O-N 3.4Å |
| 159 | S | 56.3 | Low | 53.6 | Low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -7.7 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 114.2 | L155 L157 | L155-S159 WeakPolarHBondContact O-CB 3.45Å; L155-S159 PolarHBondContact O-N 2.87Å; L157-S159 VanDerWaalsContact C-N 3.33Å |
| 160 | G | 55.2 | Low | 52.4 | Low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -91.9 | -12.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 161 | E | 45.1 | Very low | 51.3 | Low | 176 Ų | 176 | 132.2 Ų | 132.2 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | | | trans | -147 | 68.5 | -168.3 | -161.9 | 162.9 | -167.5 | 0 | 0 | 111.7 | | |
| 162 | I | 48.3 | Very low | 49.9 | Very low | 154 Ų | 154 | 134 Ų | 134 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | | | trans | -132.5 | 58.2 | 162.4 | 55.8 | 153.3 | 0 | 0 | 0 | 109.8 | | |
| 163 | T | 41.8 | Very low | 48.8 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | | | trans | -112.1 | 100.8 | 170.5 | -50.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 164 | K | 47.7 | Very low | 47.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 79.9 | 147.1 | 157.8 | -63 | 179 | 174.3 | -178.3 | 0 | 119.4 | | |
| 165 | E | 44.8 | Very low | 46.7 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | 64.4 | 119.9 | 168.6 | 51.2 | -99.7 | 173.1 | 0 | 0 | 122.3 | | |
| 166 | E | 38.8 | Very low | 46 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | 110.4 | 98 | 130.1 | -154.4 | 166 | -175 | 0 | 0 | 118.8 | | |
| 167 | R | 40.6 | Very low | 45.1 | Very low | 212 Ų | 212 | 136.2 Ų | 136.2 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | | | trans | 68.9 | 96.9 | 132.5 | -158.4 | 171 | -173.6 | 163.6 | 0.1 | 118.8 | | |
| 168 | Q | 37.8 | Very low | 44 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | -59.9 | 143.8 | 140.9 | -81.5 | -82.9 | -21.6 | 0 | 0 | 109.7 | | |
| 169 | P | 48.2 | Very low | 43.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | | | | -146.1 | 159.5 | 69.1 | 38.5 | -19.6 | 0 | 0 | 0 | 118.2 | | |
| 170 | A | 36.9 | Very low | 43.1 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | trans | 86.9 | 111.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 171 | S | 39.3 | Very low | 42.5 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | | 70.3 | 110.7 | 124.6 | -156.6 | 0 | 0 | 0 | 0 | 121 | | |
| 172 | A | 34.8 | Very low | 42.4 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | -178.4 | 117.8 | 110.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 173 | Q | 44.5 | Very low | 42.1 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | 39.2 | 104.4 | 132.5 | -169 | 174 | -19.6 | 0 | 0 | 119.4 | | |
| 174 | S | 34.1 | Very low | 42.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | -163 | 119.1 | 126.1 | 49.4 | 0 | 0 | 0 | 0 | 111 | | |
| 175 | T | 46 | Very low | 42.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | -97 | 120.9 | 170.6 | -34.8 | 0 | 0 | 0 | 0 | 107.3 | S177 | T175-S177 PolarHBondContact O-N 2.85Š|
| 176 | P | 46.9 | Very low | 42.6 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -85 | 94.2 | 153.8 | 29.8 | -25.4 | 0 | 0 | 0 | 107.8 | T178 | P176-T178 PolarHBondContact O-N 3.02Š|
| 177 | S | 43.2 | Very low | 43.3 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -63.9 | 111.6 | 153.6 | 167.8 | 0 | 0 | 0 | 0 | 108 | T175 | T175-S177 PolarHBondContact O-N 2.85Š|
| 178 | T | 36.2 | Very low | 43.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -153.2 | 99.3 | 142.4 | 45.6 | 0 | 0 | 0 | 0 | 108 | P176 P180 | P176-T178 PolarHBondContact O-N 3.02Å; T178-P180 VanDerWaalsContact O-CD 3.28Å; T178-P180 WeakPolarHBondContact O-CD 3.23Å |
| 179 | S | 47 | Very low | 44.6 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | | | trans | -69 | 118.6 | 159.3 | 128.9 | 0 | 0 | 0 | 0 | 107.1 | H181 | S179-H181 PolarHBondContact O-N 2.94Å; S179-H181 VanDerWaalsContact O-N 3.12Å |
| 180 | P | 48.1 | Very low | 44.5 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -70.3 | 109.6 | 163.6 | 26.6 | -28.7 | 0 | 0 | 0 | 108.2 | T178 | T178-P180 VanDerWaalsContact O-CD 3.28Å; T178-P180 WeakPolarHBondContact O-CD 3.23Å |
| 181 | H | 43.2 | Very low | 45.2 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | trans | -51.8 | 139.5 | 169.8 | -86.2 | -91.3 | 0 | 0 | 0 | 111.8 | S179 | S179-H181 PolarHBondContact O-N 2.94Å; S179-H181 VanDerWaalsContact O-N 3.12Å |
| 182 | S | 41.5 | Very low | 45.8 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -39 | 143.1 | 172.7 | 171.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 183 | S | 42.4 | Very low | 46.1 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | | 162.3 | 163.5 | 112 | -71.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 184 | P | 48 | Very low | 45.9 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | cis | -122.6 | 159.8 | -24 | 34.3 | -17.9 | 0 | 0 | 0 | 112.6 | Q186 | P184-Q186 PolarHBondContact O-N 2.85Å; P184-Q186 VanDerWaalsContact O-N 3.12Å |
| 185 | K | 49.2 | Very low | 46 | Very low | 203 Ų | 203 | 140.8 Ų | 140.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -50.7 | 116.3 | 169.1 | -71.7 | 172.4 | 175.9 | 175.5 | 0 | 110.4 | R187 | K185-R187 PolarHBondContact O-N 3.23Š|
| 186 | Q | 48.3 | Very low | 45.7 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -67 | 97.8 | 164.2 | -70.2 | -126.4 | -15 | 0 | 0 | 108.3 | P184 | P184-Q186 PolarHBondContact O-N 2.85Å; P184-Q186 VanDerWaalsContact O-N 3.12Å |
| 187 | R | 52.9 | Low | 45.2 | Very low | 224 Ų | 224 | 139.1 Ų | 139.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -67.1 | 127.1 | 156.7 | -81.5 | -173.3 | 165.3 | 171.8 | -3.3 | 106.9 | K185 R189 | K185-R187 PolarHBondContact O-N 3.23Å; R187-R189 PolarHBondContact O-N 2.84Å |
| 188 | P | 51.4 | Low | 44.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -63.1 | 114.6 | 162.1 | -13 | 27.3 | 0 | 0 | 0 | 107 | G190 | P188-G190 VanDerWaalsContact C-N 3.3Å; P188-G190 PolarHBondContact O-N 2.92Å |
| 189 | R | 54.7 | Low | 45.1 | Very low | 210 Ų | 210 | 138.4 Ų | 138.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -63.2 | 97.8 | 163.9 | 176.3 | -177.8 | -68.3 | -85.6 | 0.5 | 106.3 | R187 W191 | R187-R189 PolarHBondContact O-N 2.84Å; R189-W191 PolarHBondContact O-N 3.26Å; R189-W191 VanDerWaalsContact O-N 3.15Å |
| 190 | G | 46.6 | Very low | 44.8 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -63.1 | 110.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P188 | P188-G190 VanDerWaalsContact C-N 3.3Å; P188-G190 PolarHBondContact O-N 2.92Å |
| 191 | W | 51.2 | Low | 44.7 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | trans | -114.1 | 141 | 152.3 | -112 | -46.7 | 0 | 0 | 0 | 106.7 | R189 | R189-W191 PolarHBondContact O-N 3.26Å; R189-W191 VanDerWaalsContact O-N 3.15Å |
| 192 | F | 52.2 | Low | 44.4 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | 92.7 | 88.2 | -176.6 | -43.4 | -58.4 | 0 | 0 | 0 | 116 | | |
| 193 | T | 40.6 | Very low | 44.6 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -55.3 | 141.1 | 145.7 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 194 | S | 39.4 | Very low | 44.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | | | trans | 69.8 | 119.2 | 147.8 | -56.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 195 | G | 36.4 | Very low | 44.2 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | 169.5 | 86.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 196 | S | 40.4 | Very low | 43.5 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | | | trans | -69.4 | 137.7 | 166.4 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 197 | S | 36.4 | Very low | 43 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | | | | 162.7 | 127.3 | 124.2 | -158.1 | 0 | 0 | 0 | 0 | 114 | | |
| 198 | T | 37.5 | Very low | 42.8 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | 52 | 111.6 | 140.4 | 57.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 199 | A | 39.4 | Very low | 42.2 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | | | | 60.4 | 109.5 | 121.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 200 | L | 40.1 | Very low | 41.8 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -148.5 | 135.1 | 138.4 | -68.6 | 179.8 | 0 | 0 | 0 | 108.9 | | |
| 201 | P | 47.6 | Very low | 41.5 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 119.7 | 176.3 | 32.1 | -27.9 | 0 | 0 | 0 | 110.4 | | |
| 202 | G | 36.4 | Very low | 41.2 | Very low | 59 Ų | 59 | 125.8 Ų | 125.8 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -88 | 144.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N204 | G202-N204 PolarHBondContact O-N 3.1Š|
| 203 | P | 45.5 | Very low | 40.6 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 122.2 | -177.3 | 30.5 | -30.9 | 0 | 0 | 0 | 110.9 | | |
| 204 | N | 39.2 | Very low | 41 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 132.7 | 168.8 | -66.9 | -31.8 | 0 | 0 | 0 | 109.7 | G202 | G202-N204 PolarHBondContact O-N 3.1Š|
| 205 | P | 42.8 | Very low | 41.4 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 143.1 | 170 | 32.4 | -30.1 | 0 | 0 | 0 | 111.8 | | |
| 206 | S | 35.5 | Very low | 42.1 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | 73.2 | 103.9 | 158.8 | 68.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 207 | T | 37.4 | Very low | 42.7 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | | | trans | -112.1 | 120.2 | 142.4 | -59.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 208 | M | 48.8 | Very low | 43.2 | Very low | 176 Ų | 176 | 132 Ų | 132 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -57 | 132.1 | 167.7 | -79.7 | 179.4 | 147.2 | 0 | 0 | 109.5 | | |
| 209 | D | 38 | Very low | 43.8 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -135.1 | 123.9 | 144.9 | -163.3 | 13.9 | 0 | 0 | 0 | 109.3 | | |
| 210 | S | 45.9 | Very low | 44.3 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -92.9 | 123.4 | 179.2 | -74.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 211 | G | 39.7 | Very low | 44.9 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | -162.2 | 92.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 212 | S | 46.6 | Very low | 45.5 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 94% | 0.944 | 77% | 0.765 | S | S | * | * | | | trans | 80.9 | 116.8 | 140.8 | -160.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 213 | G | 38 | Very low | 45.9 | Very low | 74 Ų | 74 | 139.4 Ų | 139.4 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 156.4 | 77.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K215 | G213-K215 PolarHBondContact O-N 2.95Š|
| 214 | D | 50.3 | Low | 46.5 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | -24 | 114.7 | 160.9 | 175.2 | 36.2 | 0 | 0 | 0 | 115.2 | | |
| 215 | K | 46.8 | Very low | 47.4 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | | -176.5 | 128.9 | 122.4 | -105.1 | 179.1 | 175.5 | 177 | 0 | 110.8 | G213 R217 | G213-K215 PolarHBondContact O-N 2.95Å; K215-R217 VanDerWaalsContact C-N 3.34Å; K215-R217 PolarHBondContact O-N 2.81Å |
| 216 | D | 51.9 | Low | 48.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -48.7 | 93.1 | 163.4 | -64.9 | -50.6 | 0 | 0 | 0 | 111.4 | | |
| 217 | R | 53.1 | Low | 48.9 | Very low | 205 Ų | 205 | 137.5 Ų | 137.5 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | | | trans | -122.8 | 92.7 | 162.8 | -91 | -165.3 | 165.4 | -155.7 | -2.7 | 108.5 | K215 L219 | K215-R217 VanDerWaalsContact C-N 3.34Å; K215-R217 PolarHBondContact O-N 2.81Å; R217-L219 PolarHBondContact O-N 3.13Å |
| 218 | N | 47.6 | Very low | 49.6 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | | | trans | 10.3 | 107.5 | 145.8 | -121.3 | -65.1 | 0 | 0 | 0 | 114.6 | S220 | N218-S220 WeakPolarHBondContact CB-OG 3.31Å; N218-S220 PolarHBondContact O-N 3.36Å; N218-S220 PolarHBondContact OD1-OG 3.14Å |
| 219 | L | 48.8 | Very low | 49.7 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 6 | 169.7 | -91.5 | 89.4 | 0 | 0 | 0 | 114 | R217 | R217-L219 PolarHBondContact O-N 3.13Š|
| 220 | S | 51.1 | Low | 50.5 | Low | 70 Ų | 70 | 138.1 Ų | 138.1 | 49% | 0.49 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -12.6 | -178.8 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | N218 K222 | N218-S220 WeakPolarHBondContact CB-OG 3.31Å; N218-S220 PolarHBondContact O-N 3.36Å; N218-S220 PolarHBondContact OD1-OG 3.14Å; S220-K222 VanDerWaalsContact C-N 3.26Å; S220-K222 PolarHBondContact O-N 3.21Å |
| 221 | D | 52.6 | Low | 50.3 | Low | 100 Ų | 100 | 140.8 Ų | 140.8 | 54% | 0.535 | 76% | 0.756 | S | S | . | * | G | 310 helix | trans | -76.7 | -8.3 | -178.5 | -75.8 | -22.7 | 0 | 0 | 0 | 114.2 | W223 | D221-W223 PolarHBondContact O-N 2.85Š|
| 222 | K | 59.1 | Low | 50.8 | Low | 168 Ų | 168 | 144.9 Ų | 144.9 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -74.2 | -8.2 | -178.3 | -65.8 | -174.4 | 171 | -146.4 | 0 | 114.6 | S220 | S220-K222 VanDerWaalsContact C-N 3.26Å; S220-K222 PolarHBondContact O-N 3.21Å |
| 223 | W | 45.7 | Very low | 50.8 | Low | 238 Ų | 238 | 147.9 Ų | 147.9 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -114 | 4 | 179.7 | -71 | 100.7 | 0 | 0 | 0 | 114.4 | D221 L225 | D221-W223 PolarHBondContact O-N 2.85Å; W223-L225 PolarHBondContact O-N 3.12Å |
| 224 | S | 58.5 | Low | 50.9 | Low | 81 Ų | 81 | 154.3 Ų | 154.3 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | | | trans | -92.5 | 64.7 | -179.8 | -159 | 0 | 0 | 0 | 0 | 111.9 | | |
| 225 | L | 56.2 | Low | 50.7 | Low | 150 Ų | 150 | 155.1 Ų | 155.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -91.2 | -5.2 | 168 | -95.6 | 86.4 | 0 | 0 | 0 | 113.4 | W223 | W223-L225 PolarHBondContact O-N 3.12Š|
| 226 | F | 58.4 | Low | 50.8 | Low | 207 Ų | 207 | 152.6 Ų | 152.6 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -129.7 | 29.8 | -179.7 | -64.5 | -78.9 | 0 | 0 | 0 | 114 | | |
| 227 | G | 53.3 | Low | 50.5 | Low | 37 Ų | 37 | 147.5 Ų | 147.5 | 38% | 0.381 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -85 | 145.3 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | R229 | G227-R229 PolarHBondContact O-N 3.05Å; G227-R229 VanDerWaalsContact O-N 3.12Å |
| 228 | P | 51.2 | Low | 50.5 | Low | 135 Ų | 135 | 143.4 Ų | 143.4 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | | | trans | -65.9 | 114.9 | -178.8 | 27.5 | -32.3 | 0 | 0 | 0 | 109.9 | | |
| 229 | R | 50.8 | Low | 50.5 | Low | 239 Ų | 239 | 146.2 Ų | 146.2 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -67.6 | 136.3 | 169 | -72.9 | -176.3 | -156.1 | -164.3 | 4.6 | 109.2 | G227 L231 | G227-R229 PolarHBondContact O-N 3.05Å; G227-R229 VanDerWaalsContact O-N 3.12Å; R229-L231 PolarHBondContact O-N 3.24Å |
| 230 | S | 53.9 | Low | 50.6 | Low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | trans | -58.8 | 122.9 | 166.9 | 44.4 | 0 | 0 | 0 | 0 | 109.4 | Q232 | S230-Q232 PolarHBondContact O-N 3.18Å; S230-Q232 VanDerWaalsContact O-N 3.12Å |
| 231 | L | 42.8 | Very low | 50.7 | Low | 165 Ų | 165 | 146.4 Ų | 146.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -71.5 | 106 | -174.4 | -167.4 | 137.2 | 0 | 0 | 0 | 109.5 | R229 | R229-L231 PolarHBondContact O-N 3.24Š|
| 232 | Q | 49 | Very low | 50.8 | Low | 158 Ų | 158 | 150.2 Ų | 150.2 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | trans | -68.4 | 126.5 | 173.3 | -157.4 | 172.6 | -6.3 | 0 | 0 | 108.6 | S230 Y234 | S230-Q232 PolarHBondContact O-N 3.18Å; S230-Q232 VanDerWaalsContact O-N 3.12Å; Q232-Y234 PolarHBondContact O-N 3.12Å |
| 233 | K | 47.1 | Very low | 50.5 | Low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | | | trans | -56.9 | 119.1 | -178.5 | -69 | -107 | -177.3 | 175 | 0 | 110.7 | | |
| 234 | Y | 40.3 | Very low | 50.5 | Low | 208 Ų | 208 | 144.7 Ų | 144.7 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | | | trans | -128.3 | 127.1 | 157.2 | -84.4 | -83.2 | 0 | 0 | 0 | 109 | Q232 | Q232-Y234 PolarHBondContact O-N 3.12Š|
| 235 | D | 45.8 | Very low | 50.5 | Low | 160 Ų | 160 | 152.1 Ų | 152.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -95.3 | 111.2 | -177.2 | -158.3 | 6.8 | 0 | 0 | 0 | 107.4 | | |
| 236 | S | 50.1 | Low | 50.3 | Low | 121 Ų | 121 | 147.3 Ų | 147.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 167.4 | 126.1 | 159.5 | -83.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 237 | G | 44.7 | Very low | 50.7 | Low | 59 Ų | 59 | 141.2 Ų | 141.2 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | 107 | 83.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F239 | G237-F239 WeakPolarHBondContact O-CD2 3.08Å; G237-F239 PolarHBondContact O-N 2.96Å |
| 238 | S | 53.1 | Low | 51.1 | Low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -49.5 | 101.1 | 165.3 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 239 | F | 47.2 | Very low | 51.9 | Low | 182 Ų | 182 | 150.7 Ų | 150.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | | | trans | -116.4 | 111.2 | 151.8 | -59.1 | -79.6 | 0 | 0 | 0 | 106.1 | G237 T241 | G237-F239 WeakPolarHBondContact O-CD2 3.08Å; G237-F239 PolarHBondContact O-N 2.96Å; F239-T241 VanDerWaalsContact C-N 3.33Å; F239-T241 PolarHBondContact O-N 3.18Å |
| 240 | A | 51.7 | Low | 52.5 | Low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -63.2 | 94.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q242 | A240-Q242 PolarHBondContact O-N 2.78Š|
| 241 | T | 52.3 | Low | 53.4 | Low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | | | trans | -72 | 84.5 | 162.7 | 45.3 | 0 | 0 | 0 | 0 | 106.9 | F239 A243 | F239-T241 VanDerWaalsContact C-N 3.33Å; F239-T241 PolarHBondContact O-N 3.18Å; T241-A243 PolarHBondContact O-N 3.3Å |
| 242 | Q | 55.9 | Low | 54.5 | Low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | | | trans | -57.1 | 112.1 | 166.2 | -175 | 176.4 | 9.1 | 0 | 0 | 106.7 | A240 Y244 | A240-Q242 PolarHBondContact O-N 2.78Å; Q242-Y244 PolarHBondContact O-N 3.27Å |
| 243 | A | 53.1 | Low | 55.8 | Low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | | | trans | -57.8 | 107.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107 | T241 R245 | T241-A243 PolarHBondContact O-N 3.3Å; A243-R245 VanDerWaalsContact C-N 3.27Å; A243-R245 PolarHBondContact O-N 2.62Å |
| 244 | Y | 45.7 | Very low | 57 | Low | 201 Ų | 201 | 129.1 Ų | 129.1 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | | | trans | -63.3 | 95.7 | 172.4 | -178.8 | -105.4 | 0 | 0 | 0 | 106.9 | Q242 G246 | Q242-Y244 PolarHBondContact O-N 3.27Å; Y244-G246 VanDerWaalsContact CE1-CA 3.47Å; Y244-G246 PolarHBondContact O-N 2.9Å |
| 245 | R | 58.6 | Low | 58.6 | Low | 237 Ų | 237 | 123.7 Ų | 123.7 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | | | trans | -65.1 | 95.5 | 163.5 | -128.6 | -155.8 | -154.8 | -91.8 | 5.4 | 104.5 | A243 A247 | A243-R245 VanDerWaalsContact C-N 3.27Å; A243-R245 PolarHBondContact O-N 2.62Å; R245-A247 PolarHBondContact O-N 3.26Å |
| 246 | G | 51.3 | Low | 59.9 | Low | 48 Ų | 48 | 120.6 Ų | 120.6 | 50% | 0.495 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -50.1 | 126.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y244 Q248 | Y244-G246 VanDerWaalsContact CE1-CA 3.47Å; Y244-G246 PolarHBondContact O-N 2.9Å; G246-Q248 PolarHBondContact O-N 3.09Å |
| 247 | A | 67.1 | Low | 60.7 | Low | 79 Ų | 79 | 122.6 Ų | 122.6 | 65% | 0.653 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 136.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | R245 K249 | R245-A247 PolarHBondContact O-N 3.26Å; A247-K249 PolarHBondContact O-N 3.42Å; A247-K249 VanDerWaalsContact O-N 3.07Å |
| 248 | Q | 61.8 | Low | 61.7 | Low | 182 Ų | 182 | 122.3 Ų | 122.3 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 116.8 | 179.9 | -175.8 | 168.1 | -41.8 | 0 | 0 | 108.5 | G246 | G246-Q248 PolarHBondContact O-N 3.09Š|
| 249 | K | 67.3 | Low | 62 | Low | 190 Ų | 190 | 123.2 Ų | 123.2 | 83% | 0.826 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.9 | 177.6 | -66.3 | 179.8 | 180 | -179.9 | 0 | 107.4 | A247 S251 | A247-K249 PolarHBondContact O-N 3.42Å; A247-K249 VanDerWaalsContact O-N 3.07Å; K249-S251 PolarHBondContact O-N 2.98Å |
| 250 | P | 64 | Low | 62.5 | Low | 71 Ų | 71 | 118.8 Ų | 118.8 | 46% | 0.461 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 136 | 179.9 | 23.7 | -31.7 | 0 | 0 | 0 | 109 | E254 L255 | P250-E254 WeakPolarHBondContact CA-OE2 3.45Å; P250-E254 HydrophobicContact CB-CB 4.21Å; P250-E254 WeakPolarHBondContact CB-OE2 3.19Å; P250-L255 HydrophobicContact CB-CD2 4.49Å; P250-L255 HydrophobicContact CG-CD2 4.05Å; P250-L255 HydrophobicContact CG-CG 4.49Å |
| 251 | S | 71.8 | Confident | 62.7 | Low | 52 Ų | 52 | 120.3 Ų | 120.3 | 36% | 0.364 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 145.4 | 177.6 | 169.6 | 0 | 0 | 0 | 0 | 109.2 | K249 L253 E254 L255 | K249-S251 PolarHBondContact O-N 2.98Å; S251-L253 PolarHBondContact O-N 2.8Å; S251-E254 PolarHBondContact N-OE2 3.42Å; S251-E254 WeakPolarHBondContact O-CA 3.07Å; S251-E254 WeakPolarHBondContact O-CB 3.41Å; S251-E254 PolarHBondContact O-N 3.16Å; S251-L255 PolarHBondContact O-N 3.47Å |
| 252 | P | 67 | Low | 62.8 | Low | 97 Ų | 97 | 121.3 Ų | 121.3 | 63% | 0.63 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -50.1 | -31.1 | 175.5 | -28.8 | 35.4 | 0 | 0 | 0 | 113.7 | L255 I256 | P252-L255 PolarHBondContact O-N 3.12Å; P252-I256 WeakPolarHBondContact O-CG1 3Å; P252-I256 PolarHBondContact O-N 3.32Å |
| 253 | L | 75.1 | Confident | 62.4 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.4 | -32 | 174.2 | -80.8 | 163.6 | 0 | 0 | 0 | 113.7 | S251 R257 | S251-L253 PolarHBondContact O-N 2.8Å; L253-R257 WeakPolarHBondContact O-CG 3.4Å; L253-R257 PolarHBondContact O-N 3.3Å; L253-R257 VanDerWaalsContact O-N 3.13Å |
| 254 | E | 73.2 | Confident | 62.3 | Low | 100 Ų | 100 | 121.7 Ų | 121.7 | 47% | 0.467 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.3 | -35 | 176.4 | -65.8 | 173.3 | 158.1 | 0 | 0 | 110.9 | P250 S251 R257 A258 | P250-E254 WeakPolarHBondContact CA-OE2 3.45Å; P250-E254 HydrophobicContact CB-CB 4.21Å; P250-E254 WeakPolarHBondContact CB-OE2 3.19Å; S251-E254 PolarHBondContact N-OE2 3.42Å; S251-E254 WeakPolarHBondContact O-CA 3.07Å; S251-E254 WeakPolarHBondContact O-CB 3.41Å; S251-E254 PolarHBondContact O-N 3.16Å; E254-R257 PolarHBondContact O-N 3.34Å; E254-A258 WeakPolarHBondContact O-CB 3.37Å; E254-A258 PolarHBondContact O-N 3.42Å |
| 255 | L | 74.6 | Confident | 62.3 | Low | 94 Ų | 94 | 119.1 Ų | 119.1 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64 | -43.2 | 172.8 | -65.5 | 176.7 | 0 | 0 | 0 | 111.7 | P250 S251 P252 R257 A258 Q259 | P250-L255 HydrophobicContact CB-CD2 4.49Å; P250-L255 HydrophobicContact CG-CD2 4.05Å; P250-L255 HydrophobicContact CG-CG 4.49Å; S251-L255 PolarHBondContact O-N 3.47Å; P252-L255 PolarHBondContact O-N 3.12Å; L255-R257 PolarHBondContact O-N 2.85Å; L255-A258 PolarHBondContact O-N 3.4Å; L255-Q259 WeakPolarHBondContact O-CG 3.21Å; L255-Q259 PolarHBondContact O-N 3.44Å |
| 256 | I | 72 | Confident | 61.7 | Low | 96 Ų | 96 | 114 Ų | 114 | 49% | 0.492 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.1 | -39.7 | 178.7 | -64.6 | 163.4 | 0 | 0 | 0 | 111.1 | P252 Q259 T260 | P252-I256 WeakPolarHBondContact O-CG1 3Å; P252-I256 PolarHBondContact O-N 3.32Å; I256-Q259 PolarHBondContact O-N 2.66Å; I256-T260 PolarHBondContact O-N 3.39Å; I256-T260 PolarHBondContact O-OG1 2.92Å |
| 257 | R | 68.1 | Low | 61.7 | Low | 163 Ų | 163 | 117 Ų | 117 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.7 | -38.3 | 175.8 | -70.9 | -177.3 | -151 | 176.8 | 5.9 | 112.9 | L253 E254 L255 Q259 T260 N261 | L253-R257 WeakPolarHBondContact O-CG 3.4Å; L253-R257 PolarHBondContact O-N 3.3Å; L253-R257 VanDerWaalsContact O-N 3.13Å; E254-R257 PolarHBondContact O-N 3.34Å; L255-R257 PolarHBondContact O-N 2.85Å; R257-Q259 VanDerWaalsContact C-N 3.35Å; R257-T260 VanDerWaalsContact CA-OG1 3.26Å; R257-T260 WeakPolarHBondContact CA-OG1 3.35Å; R257-T260 PolarHBondContact O-N 3.48Å; R257-T260 PolarHBondContact O-OG1 3.35Å; R257-T260 VanDerWaalsContact O-OG1 3.13Å; R257-N261 PolarHBondContact O-N 3.3Å; R257-N261 PolarHBondContact O-ND2 2.96Å |
| 258 | A | 64.1 | Low | 61 | Low | 52 Ų | 52 | 117.4 Ų | 117.4 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.5 | -36.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E254 L255 | E254-A258 WeakPolarHBondContact O-CB 3.37Å; E254-A258 PolarHBondContact O-N 3.42Å; L255-A258 PolarHBondContact O-N 3.4Å |
| 259 | Q | 60.6 | Low | 60.5 | Low | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.9 | -36.2 | 175.6 | -74 | -177.3 | -36.1 | 0 | 0 | 112.8 | L255 I256 R257 N261 Q262 | L255-Q259 WeakPolarHBondContact O-CG 3.21Å; L255-Q259 PolarHBondContact O-N 3.44Å; I256-Q259 PolarHBondContact O-N 2.66Å; R257-Q259 VanDerWaalsContact C-N 3.35Å; Q259-N261 PolarHBondContact O-N 3.02Å; Q259-Q262 PolarHBondContact O-N 3.39Å |
| 260 | T | 56.9 | Low | 59.9 | Low | 88 Ų | 88 | 109.4 Ų | 109.4 | 54% | 0.54 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.7 | -28.3 | 179.5 | 34.2 | 0 | 0 | 0 | 0 | 113.4 | I256 R257 | I256-T260 PolarHBondContact O-N 3.39Å; I256-T260 PolarHBondContact O-OG1 2.92Å; R257-T260 VanDerWaalsContact CA-OG1 3.26Å; R257-T260 WeakPolarHBondContact CA-OG1 3.35Å; R257-T260 PolarHBondContact O-N 3.48Å; R257-T260 PolarHBondContact O-OG1 3.35Å; R257-T260 VanDerWaalsContact O-OG1 3.13Å |
| 261 | N | 57.1 | Low | 59.8 | Low | 130 Ų | 130 | 114.4 Ų | 114.4 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.3 | -17.3 | 174.5 | -72.1 | -28 | 0 | 0 | 0 | 114.1 | R257 Q259 | R257-N261 PolarHBondContact O-N 3.3Å; R257-N261 PolarHBondContact O-ND2 2.96Å; Q259-N261 PolarHBondContact O-N 3.02Å |
| 262 | Q | 53.2 | Low | 59 | Low | 155 Ų | 155 | 117 Ų | 117 | 72% | 0.724 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82 | -15.8 | 179.5 | -77.5 | -174.4 | 30.9 | 0 | 0 | 114.2 | Q259 A264 | Q259-Q262 PolarHBondContact O-N 3.39Å; Q262-A264 VanDerWaalsContact C-N 3.28Å; Q262-A264 PolarHBondContact O-N 3.31Å |
| 263 | M | 47.1 | Very low | 58.2 | Low | 182 Ų | 182 | 118.3 Ų | 118.3 | 90% | 0.897 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -1.4 | -179.5 | -81 | -168.7 | 171.2 | 0 | 0 | 114.3 | | |
| 264 | A | 51.8 | Low | 57 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 2.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q262 | Q262-A264 VanDerWaalsContact C-N 3.28Å; Q262-A264 PolarHBondContact O-N 3.31Å |
| 265 | E | 46.3 | Very low | 55.8 | Low | 146 Ų | 146 | 125.2 Ų | 125.2 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -116.6 | 128.4 | -179.6 | -159.7 | 173.1 | 171.6 | 0 | 0 | 111.7 | | |
| 266 | E | 45.8 | Very low | 54.9 | Low | 130 Ų | 130 | 128.2 Ų | 128.2 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | | | trans | -61.2 | 135.3 | -169.7 | -149.8 | -84.9 | 178.6 | 0 | 0 | 112.3 | A268 | E266-A268 PolarHBondContact O-N 3.44Å; E266-A268 VanDerWaalsContact O-N 3.07Å; E266-A268 WeakPolarHBondContact OE2-CB 3.31Å; E266-A268 PolarHBondContact OE2-N 3.36Å |
| 267 | P | 50.3 | Low | 53.9 | Low | 110 Ų | 110 | 129.8 Ų | 129.8 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 3.6 | -165.7 | 31.2 | -36.6 | 0 | 0 | 0 | 115.3 | | |
| 268 | A | 53.3 | Low | 52.9 | Low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -7.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | E266 | E266-A268 PolarHBondContact O-N 3.44Å; E266-A268 VanDerWaalsContact O-N 3.07Å; E266-A268 WeakPolarHBondContact OE2-CB 3.31Å; E266-A268 PolarHBondContact OE2-N 3.36Å |
| 269 | A | 51.9 | Low | 52 | Low | 68 Ų | 68 | 131 Ų | 131 | 56% | 0.562 | 72% | 0.723 | S | S | * | * | | | trans | -113.6 | 7.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K271 | A269-K271 PolarHBondContact O-N 2.74Š|
| 270 | L | 53.8 | Low | 51.5 | Low | 135 Ų | 135 | 129.3 Ų | 129.3 | 71% | 0.707 | 72% | 0.722 | S | S | * | * | | | trans | -73.7 | 87.1 | -179.3 | -61.5 | -179.8 | 0 | 0 | 0 | 111.2 | | |
| 271 | K | 61.6 | Low | 51.1 | Low | 177 Ų | 177 | 134 Ų | 134 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65 | 137.2 | 167.3 | -71.2 | -170.5 | 179.1 | 177.4 | 0 | 109.2 | A269 | A269-K271 PolarHBondContact O-N 2.74Š|
| 272 | P | 54.4 | Low | 50.7 | Low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 144.7 | 177.5 | 24.4 | -33.2 | 0 | 0 | 0 | 110.1 | K274 | P272-K274 PolarHBondContact O-N 3.23Š|
| 273 | P | 51.4 | Low | 50.8 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.5 | -179.6 | 22.4 | -31.8 | 0 | 0 | 0 | 109.4 | M275 | P273-M275 PolarHBondContact O-N 3.33Š|
| 274 | K | 49.4 | Very low | 51.2 | Low | 192 Ų | 192 | 132.6 Ų | 132.6 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | | | trans | -67.1 | 101.7 | 171.5 | -74.5 | 178.5 | 177 | 175.9 | 0 | 107.4 | P272 D276 | P272-K274 PolarHBondContact O-N 3.23Å; K274-D276 PolarHBondContact O-N 3Å; K274-D276 VanDerWaalsContact O-N 3.15Å |
| 275 | M | 49 | Very low | 51.5 | Low | 157 Ų | 157 | 133.3 Ų | 133.3 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | -68 | 105.6 | 162.4 | -73.8 | -152.8 | -53.3 | 0 | 0 | 107.8 | P273 I277 | P273-M275 PolarHBondContact O-N 3.33Å; M275-I277 PolarHBondContact O-N 3.5Å; M275-I277 VanDerWaalsContact O-N 3.07Å |
| 276 | D | 54.9 | Low | 52.1 | Low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | trans | -72 | 99 | 163.2 | -93.5 | -19 | 0 | 0 | 0 | 107.9 | K274 | K274-D276 PolarHBondContact O-N 3Å; K274-D276 VanDerWaalsContact O-N 3.15Å |
| 277 | I | 50.1 | Low | 52.6 | Low | 128 Ų | 128 | 131.7 Ų | 131.7 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | trans | -74 | 128.4 | 169.6 | -57.1 | 163.9 | 0 | 0 | 0 | 106 | M275 V279 | M275-I277 PolarHBondContact O-N 3.5Å; M275-I277 VanDerWaalsContact O-N 3.07Å; I277-V279 PolarHBondContact O-N 2.93Å |
| 278 | P | 47.1 | Very low | 53.2 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | -58.5 | 120.3 | 172 | 23.2 | -31.1 | 0 | 0 | 0 | 108.9 | V280 | P278-V280 PolarHBondContact O-N 2.74Š|
| 279 | V | 45.9 | Very low | 53.6 | Low | 134 Ų | 134 | 136.5 Ų | 136.5 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | | | trans | -57.4 | 104.4 | 176 | 170.8 | 0 | 0 | 0 | 0 | 108.5 | I277 E281 | I277-V279 PolarHBondContact O-N 2.93Å; V279-E281 HydrophobicContact CG1-CB 4.18Å; V279-E281 PolarHBondContact O-N 2.93Å |
| 280 | V | 51 | Low | 54.2 | Low | 102 Ų | 102 | 140.8 Ų | 140.8 | 62% | 0.618 | 75% | 0.75 | S | S | * | * | | | trans | -88.2 | 89.4 | 158 | 171.6 | 0 | 0 | 0 | 0 | 105.9 | P278 G282 | P278-V280 PolarHBondContact O-N 2.74Å; V280-G282 PolarHBondContact O-N 3.18Å |
| 281 | E | 47.7 | Very low | 54.8 | Low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | -65.5 | 113 | 160.9 | -171.1 | 173 | -161.6 | 0 | 0 | 107.3 | V279 | V279-E281 HydrophobicContact CG1-CB 4.18Å; V279-E281 PolarHBondContact O-N 2.93Å |
| 282 | G | 48.2 | Very low | 55.2 | Low | 48 Ų | 48 | 137.4 Ų | 137.4 | 50% | 0.495 | 74% | 0.741 | S | S | . | * | S | Bend | trans | 145.7 | 102.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V280 K284 | V280-G282 PolarHBondContact O-N 3.18Å; G282-K284 PolarHBondContact O-N 3.4Å |
| 283 | K | 54.9 | Low | 56.5 | Low | 219 Ų | 219 | 139.1 Ų | 139.1 | 95% | 0.952 | 74% | 0.738 | S | S | * | * | | | trans | -24.4 | 99.4 | 169.9 | -58.6 | 174.7 | -179.7 | 179 | 0 | 113.1 | | |
| 284 | K | 56.3 | Low | 57.4 | Low | 172 Ų | 172 | 138.6 Ų | 138.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 132.3 | 167.9 | -95.7 | 177.6 | 178.1 | 168.5 | 0 | 109.8 | G282 | G282-K284 PolarHBondContact O-N 3.4Š|
| 285 | P | 58.3 | Low | 58.3 | Low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 156.8 | 172.3 | 27.6 | -32.7 | 0 | 0 | 0 | 110.4 | | |
| 286 | P | 58.6 | Low | 59.3 | Low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 150.3 | -179.9 | 23.3 | -33.6 | 0 | 0 | 0 | 111.3 | R288 | P286-R288 PolarHBondContact O-N 2.96Š|
| 287 | P | 56.2 | Low | 60 | Low | 131 Ų | 131 | 132.7 Ų | 132.7 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 117.1 | 179.9 | 24 | -32.2 | 0 | 0 | 0 | 108.6 | A289 | P287-A289 PolarHBondContact O-N 2.97Š|
| 288 | R | 63.8 | Low | 60.7 | Low | 226 Ų | 226 | 132.3 Ų | 132.3 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | | | trans | -64.6 | 112.6 | -178.3 | -172.2 | 162.9 | -172.7 | 84.8 | -0.2 | 108 | P286 H290 | P286-R288 PolarHBondContact O-N 2.96Å; R288-H290 PolarHBondContact O-N 3.36Å |
| 289 | A | 60.5 | Low | 61.5 | Low | 73 Ų | 73 | 132.9 Ų | 132.9 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | | | trans | -56.1 | 114.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108 | P287 N291 | P287-A289 PolarHBondContact O-N 2.97Å; A289-N291 PolarHBondContact O-N 3.35Å; A289-N291 VanDerWaalsContact O-N 3.16Å; A289-N291 PolarHBondContact O-ND2 3.1Å |
| 290 | H | 65.8 | Low | 62.4 | Low | 159 Ų | 159 | 132.3 Ų | 132.3 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | | | trans | -76.4 | 102.1 | 175.6 | 35.9 | -82.1 | 0 | 0 | 0 | 106.8 | R288 L292 | R288-H290 PolarHBondContact O-N 3.36Å; H290-L292 PolarHBondContact O-N 3.41Å |
| 291 | N | 64.9 | Low | 63.2 | Low | 147 Ų | 147 | 131.2 Ų | 131.2 | 79% | 0.786 | 68% | 0.684 | S | S | * | * | | | trans | -71.5 | 93.8 | 173.9 | -68.7 | -76.4 | 0 | 0 | 0 | 108.2 | A289 K293 | A289-N291 PolarHBondContact O-N 3.35Å; A289-N291 VanDerWaalsContact O-N 3.16Å; A289-N291 PolarHBondContact O-ND2 3.1Å; N291-K293 PolarHBondContact O-N 3.09Å |
| 292 | L | 71.6 | Confident | 64 | Low | 94 Ų | 94 | 128.3 Ų | 128.3 | 49% | 0.492 | 68% | 0.681 | S | S | . | * | | | trans | -66.8 | 126.2 | 167 | -72 | 168.5 | 0 | 0 | 0 | 107.9 | H290 D296 L300 | H290-L292 PolarHBondContact O-N 3.41Å; L292-D296 HydrophobicContact CD2-CB 4.39Å; L292-L300 HydrophobicContact CD1-CD1 4.26Å |
| 293 | K | 82.1 | Confident | 64.7 | Low | 143 Ų | 143 | 132 Ų | 132 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | | | trans | -70.6 | 152.2 | 177.4 | -64.5 | -179.8 | 179.5 | 176.3 | 0 | 108.4 | N291 R295 D296 | N291-K293 PolarHBondContact O-N 3.09Å; K293-R295 PolarHBondContact O-N 3.46Å; K293-D296 WeakPolarHBondContact CB-OD2 3.42Å; K293-D296 PolarHBondContact N-OD2 3.34Å; K293-D296 WeakPolarHBondContact O-CB 3.37Å; K293-D296 PolarHBondContact O-N 2.99Å |
| 294 | P | 69.5 | Low | 65 | Low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -53.2 | -27.8 | 176.9 | -27.7 | 34.6 | 0 | 0 | 0 | 113.9 | D296 | P294-D296 VanDerWaalsContact C-N 3.33Š|
| 295 | R | 67.3 | Low | 64.5 | Low | 220 Ų | 220 | 130.2 Ų | 130.2 | 83% | 0.83 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -72.4 | -21.8 | 176.2 | -65.5 | -170.3 | 179.3 | -178 | -0.1 | 114.3 | K293 | K293-R295 PolarHBondContact O-N 3.46Š|
| 296 | D | 70.1 | Confident | 64.8 | Low | 70 Ų | 70 | 131.3 Ų | 131.3 | 37% | 0.374 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -89 | -9.8 | -175.3 | -53.6 | -26.7 | 0 | 0 | 0 | 111.9 | L292 K293 P294 N298 V299 | L292-D296 HydrophobicContact CD2-CB 4.39Å; K293-D296 WeakPolarHBondContact CB-OD2 3.42Å; K293-D296 PolarHBondContact N-OD2 3.34Å; K293-D296 WeakPolarHBondContact O-CB 3.37Å; K293-D296 PolarHBondContact O-N 2.99Å; P294-D296 VanDerWaalsContact C-N 3.33Å; D296-N298 VanDerWaalsContact C-N 3.26Å; D296-N298 PolarHBondContact O-N 3.32Å; D296-V299 WeakPolarHBondContact O-CB 3.35Å; D296-V299 PolarHBondContact O-N 3.35Å |
| 297 | L | 70 | Confident | 65.1 | Low | 94 Ų | 94 | 132.3 Ų | 132.3 | 49% | 0.492 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -65.8 | -28.2 | 177.3 | -65.9 | 174.8 | 0 | 0 | 0 | 112.6 | V299 L300 | L297-V299 PolarHBondContact O-N 3.12Å; L297-L300 PolarHBondContact O-N 2.95Å; L297-L300 VanDerWaalsContact O-N 3.08Å |
| 298 | N | 64.9 | Low | 65.6 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -68.8 | -14.8 | 178.4 | -65.4 | -12.6 | 0 | 0 | 0 | 113.2 | D296 L300 T301 | D296-N298 VanDerWaalsContact C-N 3.26Å; D296-N298 PolarHBondContact O-N 3.32Å; N298-L300 VanDerWaalsContact C-N 3.29Å; N298-T301 PolarHBondContact O-OG1 2.95Å |
| 299 | V | 63.2 | Low | 65.7 | Low | 120 Ų | 120 | 126.8 Ų | 126.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -77.9 | -20.6 | 174.7 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | D296 L297 | D296-V299 WeakPolarHBondContact O-CB 3.35Å; D296-V299 PolarHBondContact O-N 3.35Å; L297-V299 PolarHBondContact O-N 3.12Å |
| 300 | L | 66.1 | Low | 66.1 | Low | 122 Ų | 122 | 130.2 Ų | 130.2 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -10.3 | -178 | -61.1 | 178.5 | 0 | 0 | 0 | 113.3 | L292 L297 N298 P302 | L292-L300 HydrophobicContact CD1-CD1 4.26Å; L297-L300 PolarHBondContact O-N 2.95Å; L297-L300 VanDerWaalsContact O-N 3.08Å; N298-L300 VanDerWaalsContact C-N 3.29Å; L300-P302 WeakPolarHBondContact O-CD 3.28Å |
| 301 | T | 66.6 | Low | 66.1 | Low | 80 Ų | 80 | 128.3 Ų | 128.3 | 49% | 0.491 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -78.1 | 119 | 170.2 | 44.2 | 0 | 0 | 0 | 0 | 109.1 | N298 T303 | N298-T301 PolarHBondContact O-OG1 2.95Å; T301-T303 PolarHBondContact O-N 3.15Å |
| 302 | P | 64.4 | Low | 66.2 | Low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | | | trans | -60.7 | 113.6 | 171.8 | 24.1 | -30.1 | 0 | 0 | 0 | 107.7 | L300 G304 | L300-P302 WeakPolarHBondContact O-CD 3.28Å; P302-G304 PolarHBondContact O-N 3.07Å |
| 303 | T | 62.8 | Low | 65.8 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 77% | 0.767 | 70% | 0.702 | S | S | * | * | | | trans | -63.2 | 102.3 | 173.4 | 48.4 | 0 | 0 | 0 | 0 | 107.4 | T301 F305 | T301-T303 PolarHBondContact O-N 3.15Å; T303-F305 PolarHBondContact O-N 3.12Å |
| 304 | G | 62.4 | Low | 64.4 | Low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | | | trans | -67.2 | 110.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | P302 | P302-G304 PolarHBondContact O-N 3.07Š|
| 305 | F | 45.3 | Very low | 63.9 | Low | 277 Ų | 277 | 129.9 Ų | 129.9 | 100% | 1.215 | 71% | 0.707 | S | S | * | * | | | trans | -132.2 | 0 | 155.6 | -98.3 | -78.3 | 0 | 0 | 0 | 107.6 | T303 | T303-F305 PolarHBondContact O-N 3.12Š|