| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 27.9 | Very low | 258 Ų | 258 | 137.3 Ų | 137.3 | 100% | 1.271 | 82% | 0.815 | S | S | * | * | 0 | 169 | 0 | -75.8 | 176.1 | 169.8 | 0 | 0 | 109.4 | |||||
| 2 | K | 27.4 | Very low | 27.5 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 81% | 0.809 | 82% | 0.82 | S | S | * | * | trans | -132.4 | 119.2 | -167.4 | 168.2 | -170 | 174.1 | -176.2 | 0 | 110.6 | ||||
| 3 | V | 31.6 | Very low | 27.2 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -147.6 | 111.9 | 158.5 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | P | 31 | Very low | 27.1 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 64% | 0.636 | 83% | 0.826 | S | S | * | * | trans | -117.9 | 107.7 | 169.8 | 34.3 | -21 | 0 | 0 | 0 | 111.9 | ||||
| 5 | H | 29.2 | Very low | 26.9 | Very low | 193 Ų | 193 | 136.4 Ų | 136.4 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -155 | 157.2 | 168.4 | -87.8 | -96.6 | 0 | 0 | 0 | 106.4 | ||||
| 6 | G | 27.3 | Very low | 26.9 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | cis | -178.6 | 170.9 | -1.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 7 | A | 26.7 | Very low | 26.8 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | trans | -90.4 | 152.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | G | 24.6 | Very low | 26.7 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 110.1 | 145.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 9 | E | 24.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | cis | -138.9 | 178.1 | 0.6 | -60.7 | -165.4 | 128.2 | 0 | 0 | 110.6 | V11 | E9-V11 HydrophobicContact CB-CG2 4.36Š| ||
| 10 | P | 25.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | -139.1 | 156.9 | 95 | 41.7 | -29.8 | 0 | 0 | 0 | 113.6 | |||||
| 11 | V | 24.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 56% | 0.558 | 81% | 0.811 | S | S | * | * | cis | 76.1 | 120.1 | 34.9 | 166.7 | 0 | 0 | 0 | 0 | 113.3 | E9 | E9-V11 HydrophobicContact CB-CG2 4.36Š| ||
| 12 | F | 24 | Very low | 25.9 | Very low | 200 Ų | 200 | 134.3 Ų | 134.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | cis | -148.5 | 177.8 | -8.6 | -104.7 | -49 | 0 | 0 | 0 | 108.8 | ||||
| 13 | A | 23.3 | Very low | 25.7 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -129.1 | 151.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 14 | L | 26.3 | Very low | 25.5 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | trans | -171.7 | 141.5 | 168.4 | -101.7 | 154.4 | 0 | 0 | 0 | 108.3 | ||||
| 15 | G | 23.8 | Very low | 25.2 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | cis | 149.3 | 119.8 | -15.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 16 | S | 27 | Very low | 25 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | trans | 173.6 | 140.8 | 149.8 | 39.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | G | 24.8 | Very low | 24.7 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 160.6 | -7.3 | 179 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 18 | M | 25.5 | Very low | 24.5 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | trans | 66.8 | 152.1 | 178.5 | -63.5 | -177.9 | 64.5 | 0 | 0 | 118.3 | ||||
| 19 | Y | 24.8 | Very low | 24.4 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | 69.6 | 137.7 | 175.9 | -56.6 | -75.4 | 0 | 0 | 0 | 118.4 | ||||
| 20 | G | 24.3 | Very low | 24.3 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 83.7 | 95.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | F22 | G20-F22 PolarHBondContact O-N 3.41Š| ||
| 21 | K | 23.2 | Very low | 24.2 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -73.2 | 106 | 154.7 | -83.1 | -173.1 | 177.7 | -178.9 | 0 | 108.6 | ||||
| 22 | F | 25.4 | Very low | 24.4 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -110 | 107.9 | 160.3 | -91.1 | -86.4 | 0 | 0 | 0 | 110.3 | G20 S24 | G20-F22 PolarHBondContact O-N 3.41Å; F22-S24 PolarHBondContact O-N 3.13Å | ||
| 23 | H | 23.3 | Very low | 24.4 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -68.3 | 124.2 | 156 | -73.3 | -179.4 | 0 | 0 | 0 | 107.7 | ||||
| 24 | S | 27.8 | Very low | 24.3 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -121.8 | 84.3 | 157.8 | -166.4 | 0 | 0 | 0 | 0 | 107.7 | F22 | F22-S24 PolarHBondContact O-N 3.13Š| ||
| 25 | T | 23.5 | Very low | 24.1 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -72.2 | 140.7 | 178.6 | -44.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 26 | A | 24.3 | Very low | 24 | Very low | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -57.5 | 148.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 27 | R | 22.1 | Very low | 23.8 | Very low | 252 Ų | 252 | 128.1 Ų | 128.1 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | 67.6 | 86.3 | -176.7 | -58.3 | 168.9 | 156.6 | 179.2 | -8 | 114.9 | ||||
| 28 | G | 22.6 | Very low | 23.7 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -157.5 | 109.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | G | 22.3 | Very low | 23.7 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -82.9 | 122 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 30 | A | 23 | Very low | 23.6 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -134.7 | 129.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 31 | V | 23.1 | Very low | 23.6 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -83.6 | 134 | -179.5 | -165.4 | 0 | 0 | 0 | 0 | 108.8 | P33 | V31-P33 WeakPolarHBondContact O-CD 3.49Š| ||
| 32 | I | 27.3 | Very low | 23.6 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -109.8 | 91.7 | 159.5 | -57.8 | -177.8 | 0 | 0 | 0 | 106.9 | ||||
| 33 | P | 23.9 | Very low | 23.9 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | -71.8 | 166 | 167.2 | 33.6 | -33.3 | 0 | 0 | 0 | 109.6 | V31 | V31-P33 WeakPolarHBondContact O-CD 3.49Š| ||
| 34 | G | 21.1 | Very low | 24 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 139.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 35 | G | 22.2 | Very low | 24.1 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -161.2 | 121.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | A | 22.3 | Very low | 24.4 | Very low | 108 Ų | 108 | 113.7 Ų | 113.7 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -89.7 | 129.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | S | 24 | Very low | 24.7 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -158.3 | 120.5 | 149.1 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 38 | T | 22 | Very low | 25.1 | Very low | 120 Ų | 120 | 107.1 Ų | 107.1 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | trans | -41.1 | 157.3 | 155.9 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 39 | K | 25.6 | Very low | 25.4 | Very low | 185 Ų | 185 | 109 Ų | 109 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | cis | -157.4 | 151.9 | 40.8 | -67.3 | 177.1 | -179.3 | -171 | 0 | 111.4 | ||||
| 40 | F | 22.8 | Very low | 25.7 | Very low | 223 Ų | 223 | 106.9 Ų | 106.9 | 98% | 0.978 | 69% | 0.692 | S | S | * | * | trans | 33.2 | 99.9 | 156.6 | -78.2 | -97.8 | 0 | 0 | 0 | 118.8 | ||||
| 41 | G | 23 | Very low | 25.8 | Very low | 59 Ų | 59 | 104.6 Ų | 104.6 | 61% | 0.608 | 68% | 0.678 | S | S | * | * | trans | -176.2 | 27.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 42 | G | 24.9 | Very low | 26 | Very low | 68 Ų | 68 | 105.5 Ų | 105.5 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | 73.6 | -141.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 43 | I | 29.9 | Very low | 26 | Very low | 148 Ų | 148 | 101.6 Ų | 101.6 | 76% | 0.759 | 69% | 0.687 | S | S | * | * | trans | 68.1 | 103.1 | -178.8 | -46.4 | 167.5 | 0 | 0 | 0 | 114.3 | ||||
| 44 | F | 26.2 | Very low | 26.2 | Very low | 115 Ų | 115 | 98.7 Ų | 98.7 | 50% | 0.504 | 67% | 0.667 | S | S | . | * | trans | -124.7 | 81.7 | 153.4 | -152.3 | -94.4 | 0 | 0 | 0 | 109.6 | I46 T118 | F44-I46 HydrophobicContact CD1-CG2 3.83Å; F44-I46 HydrophobicContact CE1-CG2 3.9Å; F44-I46 PolarHBondContact O-N 3.06Å; F44-T118 HydrophobicContact CD1-CG2 3.68Å; F44-T118 HydrophobicContact CD2-CG2 3.54Å; F44-T118 HydrophobicContact CE1-CG2 3.56Å; F44-T118 WeakPolarHBondContact CE1-OG1 3.39Å; F44-T118 HydrophobicContact CE2-CG2 3.43Å; F44-T118 VanDerWaalsContact CE2-CG2 3.43Å; F44-T118 HydrophobicContact CG-CG2 3.66Å; F44-T118 HydrophobicContact CZ-CG2 3.44Å; F44-T118 VanDerWaalsContact CZ-CG2 3.44Å | ||
| 45 | G | 30.1 | Very low | 26.6 | Very low | 47 Ų | 47 | 97.9 Ų | 97.9 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | trans | -79.1 | 95 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S47 | G45-S47 PolarHBondContact O-N 3.4Š| ||
| 46 | I | 30.6 | Very low | 27 | Very low | 39 Ų | 39 | 98 Ų | 98 | 20% | 0.2 | 63% | 0.632 | C | S | . | * | trans | -82.6 | 90.9 | 174.8 | 51.7 | -175.1 | 0 | 0 | 0 | 111.8 | F44 F48 F59 V111 | F44-I46 HydrophobicContact CD1-CG2 3.83Å; F44-I46 HydrophobicContact CE1-CG2 3.9Å; F44-I46 PolarHBondContact O-N 3.06Å; I46-F48 HydrophobicContact CB-CE2 4Å; I46-F48 HydrophobicContact CD1-CE2 3.95Å; I46-F48 HydrophobicContact CG1-CE2 4.02Å; I46-F48 PolarHBondContact O-N 2.99Å; I46-F59 HydrophobicContact CD1-CD2 4.23Å; I46-F59 HydrophobicContact CD1-CE2 4.48Å; I46-F59 HydrophobicContact CG1-CB 4.23Å; I46-F59 HydrophobicContact CG1-CD2 3.72Å; I46-F59 HydrophobicContact CG1-CE2 4.36Å; I46-F59 HydrophobicContact CG1-CG 4.1Å; I46-V111 HydrophobicContact CD1-CG1 4.31Å | ||
| 47 | S | 30.7 | Very low | 27.5 | Very low | 82 Ų | 82 | 96 Ų | 96 | 57% | 0.573 | 60% | 0.603 | S | S | * | * | trans | -79.7 | 99.9 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | G45 S49 | G45-S47 PolarHBondContact O-N 3.4Å; S47-S49 PolarHBondContact O-N 3.22Å | ||
| 48 | F | 29.2 | Very low | 27.9 | Very low | 119 Ų | 119 | 98.3 Ų | 98.3 | 52% | 0.522 | 60% | 0.599 | S | S | . | * | trans | -84.9 | 112.2 | 171.9 | -70.3 | -80.9 | 0 | 0 | 0 | 110.9 | I46 A50 | I46-F48 HydrophobicContact CB-CE2 4Å; I46-F48 HydrophobicContact CD1-CE2 3.95Å; I46-F48 HydrophobicContact CG1-CE2 4.02Å; I46-F48 PolarHBondContact O-N 2.99Å; F48-A50 PolarHBondContact O-N 3.26Å | ||
| 49 | S | 29.7 | Very low | 28.4 | Very low | 115 Ų | 115 | 96.2 Ų | 96.2 | 80% | 0.804 | 58% | 0.58 | S | S | * | * | trans | -88.6 | 98.3 | 166.4 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | S47 | S47-S49 PolarHBondContact O-N 3.22Š| ||
| 50 | A | 27.2 | Very low | 28.6 | Very low | 45 Ų | 45 | 92.8 Ų | 92.8 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | trans | -66 | 171 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F48 T54 | F48-A50 PolarHBondContact O-N 3.26Å; A50-T54 HydrophobicContact CB-CG2 4.06Å; A50-T54 WeakPolarHBondContact CB-OG1 3.26Å; A50-T54 PolarHBondContact O-OG1 3.07Å | ||
| 51 | G | 25.7 | Very low | 28.9 | Very low | 47 Ų | 47 | 86.2 Ų | 86.2 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -62.7 | -179.6 | -165 | 0 | 0 | 0 | 0 | 0 | 117.2 | G53 T54 | G51-G53 PolarHBondContact O-N 2.82Å; G51-T54 PolarHBondContact N-OG1 3.48Å; G51-T54 VanDerWaalsContact N-OG1 3.15Å; G51-T54 PolarHBondContact O-N 3.43Å; G51-T54 VanDerWaalsContact O-N 3.09Å; G51-T54 PolarHBondContact O-OG1 3.44Å |
| 52 | P | 28 | Very low | 29.1 | Very low | 150 Ų | 150 | 89.5 Ų | 89.5 | 97% | 0.974 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 103.9 | -177.3 | 25.8 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 53 | G | 27.6 | Very low | 29.3 | Very low | 82 Ų | 82 | 91.2 Ų | 91.2 | 85% | 0.845 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.6 | -23.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | G51 | G51-G53 PolarHBondContact O-N 2.82Š|
| 54 | T | 28.1 | Very low | 29.3 | Very low | 39 Ų | 39 | 91.1 Ų | 91.1 | 24% | 0.239 | 55% | 0.551 | C | S | . | * | S | Bend | trans | -85.4 | 141 | 175.2 | 20.4 | 0 | 0 | 0 | 0 | 112.4 | A50 G51 | A50-T54 HydrophobicContact CB-CG2 4.06Å; A50-T54 WeakPolarHBondContact CB-OG1 3.26Å; A50-T54 PolarHBondContact O-OG1 3.07Å; G51-T54 PolarHBondContact N-OG1 3.48Å; G51-T54 VanDerWaalsContact N-OG1 3.15Å; G51-T54 PolarHBondContact O-N 3.43Å; G51-T54 VanDerWaalsContact O-N 3.09Å; G51-T54 PolarHBondContact O-OG1 3.44Å |
| 55 | P | 29.3 | Very low | 29.5 | Very low | 71 Ų | 71 | 88.1 Ų | 88.1 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 148.7 | 175.7 | 31 | -34.8 | 0 | 0 | 0 | 111.6 | ||
| 56 | P | 31.2 | Very low | 29.5 | Very low | 82 Ų | 82 | 92.5 Ų | 92.5 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 134.6 | 174.9 | 28.6 | -33.9 | 0 | 0 | 0 | 111.2 | F58 | P56-F58 HydrophobicContact CB-CE2 4.24Å; P56-F58 HydrophobicContact CB-CZ 4.48Å; P56-F58 HydrophobicContact CG-CE2 3.95Å; P56-F58 HydrophobicContact CG-CZ 4.3Å |
| 57 | F | 32 | Very low | 29.5 | Very low | 66 Ų | 66 | 94.8 Ų | 94.8 | 29% | 0.289 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -87.5 | 135.9 | 174.3 | -59.5 | -82.6 | 0 | 0 | 0 | 110.6 | L68 | F57-L68 WeakPolarHBondContact CE1-O 3.49Š|
| 58 | F | 33 | Very low | 29.7 | Very low | 163 Ų | 163 | 96.6 Ų | 96.6 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | trans | -116.9 | 124.6 | 175.5 | -64.8 | -87.5 | 0 | 0 | 0 | 109.8 | P56 | P56-F58 HydrophobicContact CB-CE2 4.24Å; P56-F58 HydrophobicContact CB-CZ 4.48Å; P56-F58 HydrophobicContact CG-CE2 3.95Å; P56-F58 HydrophobicContact CG-CZ 4.3Å | ||
| 59 | F | 30.9 | Very low | 29.8 | Very low | 75 Ų | 75 | 93.6 Ų | 93.6 | 33% | 0.329 | 56% | 0.556 | S | S | . | * | trans | -94.4 | 102.5 | 167.6 | -85.4 | -90.8 | 0 | 0 | 0 | 109.3 | I46 F67 V111 | I46-F59 HydrophobicContact CD1-CD2 4.23Å; I46-F59 HydrophobicContact CD1-CE2 4.48Å; I46-F59 HydrophobicContact CG1-CB 4.23Å; I46-F59 HydrophobicContact CG1-CD2 3.72Å; I46-F59 HydrophobicContact CG1-CE2 4.36Å; I46-F59 HydrophobicContact CG1-CG 4.1Å; F59-F67 AromaticContact CE1-CE1 3.96Å; F59-F67 HydrophobicContact CE1-CE1 3.96Å; F59-F67 HydrophobicContact CZ-CE1 4.46Å; F59-V111 HydrophobicContact CZ-CG2 4.39Å | ||
| 60 | D | 31.1 | Very low | 29.9 | Very low | 113 Ų | 113 | 92.2 Ų | 92.2 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | trans | -84.2 | 120.9 | 163.6 | -163.4 | -9.4 | 0 | 0 | 0 | 109.2 | M62 S65 | D60-M62 PolarHBondContact O-N 3.06Å; D60-S65 PolarHBondContact O-OG 3.04Å | ||
| 61 | S | 28.1 | Very low | 30.1 | Very low | 86 Ų | 86 | 92.5 Ų | 92.5 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | trans | -100.7 | 40.7 | -167.7 | -158.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 62 | M | 26.8 | Very low | 30.2 | Very low | 127 Ų | 127 | 97.2 Ų | 97.2 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -155.8 | 136 | 160.9 | -104.2 | 173.2 | -67.5 | 0 | 0 | 109.5 | D60 | D60-M62 PolarHBondContact O-N 3.06Š|
| 63 | S | 29.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 91.8 Ų | 91.8 | 73% | 0.727 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 55.5 | 111.6 | 177 | 60.5 | 0 | 0 | 0 | 0 | 118.3 | S65 | S63-S65 PolarHBondContact O-N 3.36Š|
| 64 | E | 30.5 | Very low | 30.1 | Very low | 146 Ų | 146 | 93.3 Ų | 93.3 | 68% | 0.682 | 51% | 0.511 | S | S | * | . | trans | 57.4 | 17.7 | 144.4 | -42.3 | -157.4 | 175.3 | 0 | 0 | 118.8 | K83 | E64-K83 IonicContact OE1-NZ 2.63Å; E64-K83 PolarHBondContact OE1-NZ 2.84Å; E64-K83 IonicContact OE2-NZ 2.88Å; E64-K83 PolarHBondContact OE2-NZ 3.09Å | ||
| 65 | S | 30.4 | Very low | 30 | Very low | 53 Ų | 53 | 98.2 Ų | 98.2 | 37% | 0.371 | 54% | 0.536 | S | S | . | . | trans | -65.5 | 140.5 | -177.8 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | D60 S63 | D60-S65 PolarHBondContact O-OG 3.04Å; S63-S65 PolarHBondContact O-N 3.36Å | ||
| 66 | N | 30.9 | Very low | 29.9 | Very low | 138 Ų | 138 | 98 Ų | 98 | 74% | 0.738 | 53% | 0.531 | S | S | * | . | trans | -82 | 125.3 | -168.1 | -73.4 | -92.9 | 0 | 0 | 0 | 112.4 | L68 | N66-L68 PolarHBondContact O-N 2.91Š| ||
| 67 | F | 30.7 | Very low | 29.8 | Very low | 88 Ų | 88 | 104.3 Ų | 104.3 | 39% | 0.386 | 54% | 0.544 | S | S | . | . | trans | -82.2 | 105.2 | 174.8 | -72.4 | -93.9 | 0 | 0 | 0 | 111.9 | F59 M108 | F59-F67 AromaticContact CE1-CE1 3.96Å; F59-F67 HydrophobicContact CE1-CE1 3.96Å; F59-F67 HydrophobicContact CZ-CE1 4.46Å; F67-M108 HydrophobicContact CE1-SD 4.33Å | ||
| 68 | L | 33.8 | Very low | 29.7 | Very low | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | trans | -105.3 | 97.1 | 168.2 | -66.7 | 178.5 | 0 | 0 | 0 | 110 | F57 N66 | F57-L68 WeakPolarHBondContact CE1-O 3.49Å; N66-L68 PolarHBondContact O-N 2.91Å | ||
| 69 | M | 31.3 | Very low | 29.7 | Very low | 56 Ų | 56 | 100.9 Ų | 100.9 | 28% | 0.276 | 54% | 0.536 | S | S | . | . | trans | -91.8 | 102.4 | 171.2 | -78.2 | -170.4 | 175.3 | 0 | 0 | 111 | V71 I107 | M69-V71 HydrophobicContact CB-CG2 4.36Å; M69-V71 PolarHBondContact O-N 3.37Å; M69-I107 HydrophobicContact CE-CB 3.87Å; M69-I107 HydrophobicContact CE-CD1 4Å; M69-I107 HydrophobicContact CE-CG2 3.54Å; M69-I107 HydrophobicContact SD-CD1 3.89Å | ||
| 70 | Q | 32.2 | Very low | 29.6 | Very low | 87 Ų | 87 | 103.2 Ų | 103.2 | 41% | 0.407 | 55% | 0.549 | S | S | . | . | trans | -79.4 | 90.2 | 161.9 | -175.3 | 172.9 | -24.6 | 0 | 0 | 108.6 | D72 | Q70-D72 PolarHBondContact O-N 3.49Š| ||
| 71 | V | 30.8 | Very low | 29.7 | Very low | 51 Ų | 51 | 102.4 Ų | 102.4 | 31% | 0.309 | 54% | 0.54 | S | S | . | . | trans | -74.3 | 110.5 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | M69 A73 | M69-V71 HydrophobicContact CB-CG2 4.36Å; M69-V71 PolarHBondContact O-N 3.37Å; V71-A73 HydrophobicContact CG1-CB 4.47Å; V71-A73 PolarHBondContact O-N 3.1Å | ||
| 72 | D | 27.6 | Very low | 29.7 | Very low | 146 Ų | 146 | 101.9 Ų | 101.9 | 78% | 0.781 | 54% | 0.536 | S | S | * | . | trans | -78.3 | 60.2 | -173.9 | -157.9 | 19.5 | 0 | 0 | 0 | 112.8 | Q70 | Q70-D72 PolarHBondContact O-N 3.49Š| ||
| 73 | A | 25.5 | Very low | 29.8 | Very low | 36 Ų | 36 | 102.8 Ų | 102.8 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -108.8 | 133.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V71 N75 L76 | V71-A73 HydrophobicContact CG1-CB 4.47Å; V71-A73 PolarHBondContact O-N 3.1Å; A73-N75 PolarHBondContact O-N 3.34Å; A73-L76 HydrophobicContact CB-CB 4.4Å; A73-L76 HydrophobicContact CB-CD1 4.02Å; A73-L76 PolarHBondContact O-N 2.98Å; A73-L76 VanDerWaalsContact O-N 3.08Å |
| 74 | P | 28.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 100 Ų | 100 | 73% | 0.734 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 16.6 | -157.5 | 25.8 | -36.5 | 0 | 0 | 0 | 117.1 | ||
| 75 | N | 26 | Very low | 29.6 | Very low | 142 Ų | 142 | 101.1 Ų | 101.1 | 76% | 0.759 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.2 | 13.3 | 172.8 | -71.5 | -81.9 | 0 | 0 | 0 | 114 | A73 | A73-N75 PolarHBondContact O-N 3.34Š|
| 76 | L | 27.2 | Very low | 29.5 | Very low | 68 Ų | 68 | 105.6 Ų | 105.6 | 36% | 0.356 | 55% | 0.549 | S | S | . | . | trans | -118.6 | 83.5 | -168.7 | -89 | 146.7 | 0 | 0 | 0 | 114.4 | A73 H78 | A73-L76 HydrophobicContact CB-CB 4.4Å; A73-L76 HydrophobicContact CB-CD1 4.02Å; A73-L76 PolarHBondContact O-N 2.98Å; A73-L76 VanDerWaalsContact O-N 3.08Å; L76-H78 PolarHBondContact O-N 2.68Å | ||
| 77 | W | 28.7 | Very low | 29.2 | Very low | 214 Ų | 214 | 104 Ų | 104 | 81% | 0.811 | 56% | 0.555 | S | S | * | * | trans | -89 | 96 | 167.8 | -64.5 | 90.7 | 0 | 0 | 0 | 110.5 | ||||
| 78 | H | 30.5 | Very low | 29.1 | Very low | 79 Ų | 79 | 103.8 Ų | 103.8 | 37% | 0.366 | 56% | 0.561 | S | S | . | * | trans | -110.7 | 101.6 | -178 | -100.9 | -128.7 | 0 | 0 | 0 | 112.9 | L76 M80 | L76-H78 PolarHBondContact O-N 2.68Å; H78-M80 PolarHBondContact O-N 2.88Å | ||
| 79 | V | 32 | Very low | 28.7 | Very low | 77 Ų | 77 | 107 Ų | 107 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | trans | -82.7 | 96.7 | 174.1 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | K81 | V79-K81 VanDerWaalsContact C-N 3.27Å; V79-K81 HydrophobicContact CG1-CB 4.47Å; V79-K81 PolarHBondContact O-N 3.42Å | ||
| 80 | M | 30.3 | Very low | 28.7 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 61% | 0.611 | 59% | 0.586 | S | S | * | * | trans | -78.2 | 74.6 | 176.2 | -171.4 | 163.1 | 179.9 | 0 | 0 | 111.1 | H78 C82 | H78-M80 PolarHBondContact O-N 2.88Å; M80-C82 PolarHBondContact O-N 3.4Å; M80-C82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | K | 32.3 | Very low | 28.6 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 42% | 0.422 | 60% | 0.602 | S | S | . | * | trans | -75.7 | 99.8 | 178.4 | -170.4 | 169.6 | -173.2 | 176.9 | 0 | 111.5 | V79 H86 V88 | V79-K81 VanDerWaalsContact C-N 3.27Å; V79-K81 HydrophobicContact CG1-CB 4.47Å; V79-K81 PolarHBondContact O-N 3.42Å; K81-H86 VanDerWaalsContact CE-O 3.31Å; K81-H86 WeakPolarHBondContact CE-O 3.44Å; K81-H86 PolarHBondContact NZ-O 3.37Å; K81-V88 HydrophobicContact CD-CB 4.2Å; K81-V88 HydrophobicContact CD-CG2 3.59Å | ||
| 82 | C | 27.6 | Very low | 28.5 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 50% | 0.5 | 62% | 0.624 | S | S | . | * | trans | -83.4 | 146.7 | 167.5 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | M80 | M80-C82 PolarHBondContact O-N 3.4Å; M80-C82 VanDerWaalsContact O-N 3.1Å | ||
| 83 | K | 28.7 | Very low | 28.7 | Very low | 147 Ų | 147 | 116 Ų | 116 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 73.5 | 144.2 | 165.2 | -141.9 | 175.3 | -172.4 | -174.5 | 0 | 117.5 | E64 | E64-K83 IonicContact OE1-NZ 2.63Å; E64-K83 PolarHBondContact OE1-NZ 2.84Å; E64-K83 IonicContact OE2-NZ 2.88Å; E64-K83 PolarHBondContact OE2-NZ 3.09Å |
| 84 | G | 29.4 | Very low | 28.9 | Very low | 45 Ų | 45 | 125.8 Ų | 125.8 | 46% | 0.464 | 65% | 0.652 | S | S | . | * | S | Bend | trans | 60.3 | 87.5 | 158 | 0 | 0 | 0 | 0 | 0 | 118.4 | H86 | G84-H86 PolarHBondContact O-CD2 3.26Å; G84-H86 PolarHBondContact O-N 2.99Å |
| 85 | D | 26.4 | Very low | 29.2 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 91% | 0.909 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 43.3 | 15 | 143.4 | -56.7 | -19.4 | 0 | 0 | 0 | 121.2 | ||
| 86 | H | 29.6 | Very low | 29.5 | Very low | 146 Ų | 146 | 121 Ų | 121 | 68% | 0.676 | 63% | 0.627 | S | S | * | * | trans | -121.4 | 93.7 | 179 | -66.9 | -58.3 | 0 | 0 | 0 | 110.5 | K81 G84 | K81-H86 VanDerWaalsContact CE-O 3.31Å; K81-H86 WeakPolarHBondContact CE-O 3.44Å; K81-H86 PolarHBondContact NZ-O 3.37Å; G84-H86 PolarHBondContact O-CD2 3.26Å; G84-H86 PolarHBondContact O-N 2.99Å | ||
| 87 | A | 24 | Very low | 30.1 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 87% | 0.868 | 64% | 0.639 | S | S | * | * | trans | -54 | 137.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 88 | V | 27.8 | Very low | 30.4 | Very low | 84 Ų | 84 | 113.2 Ų | 113.2 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | trans | -128.8 | 134.2 | 162.9 | 173.4 | 0 | 0 | 0 | 0 | 107.6 | K81 | K81-V88 HydrophobicContact CD-CB 4.2Å; K81-V88 HydrophobicContact CD-CG2 3.59Å | ||
| 89 | K | 26.8 | Very low | 30.5 | Very low | 186 Ų | 186 | 111.5 Ų | 111.5 | 81% | 0.809 | 60% | 0.6 | S | S | * | * | trans | -106.3 | 93.8 | -159.6 | -169.9 | 177.4 | -176.5 | 179.1 | 0 | 110.8 | ||||
| 90 | V | 30.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | trans | -77.8 | 135.2 | 176 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 91 | I | 30.3 | Very low | 31 | Very low | 142 Ų | 142 | 107.1 Ų | 107.1 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | trans | -115.1 | 129.5 | -177.8 | -59.5 | 179 | 0 | 0 | 0 | 109.3 | ||||
| 92 | H | 28.7 | Very low | 31.2 | Very low | 170 Ų | 170 | 105.4 Ų | 105.4 | 79% | 0.787 | 58% | 0.577 | S | S | * | * | trans | -60.7 | 164.5 | 178.1 | -95 | -40.9 | 0 | 0 | 0 | 113.7 | ||||
| 93 | P | 32.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 105.2 Ų | 105.2 | 74% | 0.74 | 57% | 0.571 | S | S | * | * | cis | -143.7 | 171.7 | 35.5 | 41.1 | -21.7 | 0 | 0 | 0 | 119.2 | ||||
| 94 | R | 28.6 | Very low | 32.3 | Very low | 242 Ų | 242 | 99.2 Ų | 99.2 | 91% | 0.913 | 55% | 0.55 | S | S | * | * | trans | 58.9 | 54.9 | 158.6 | -78.8 | -171.4 | 166.3 | 126.3 | -2.3 | 117.8 | ||||
| 95 | A | 34.8 | Very low | 32.7 | Very low | 50 Ų | 50 | 99.5 Ų | 99.5 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | trans | -117.5 | 126.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | I100 | A95-I100 HydrophobicContact CB-CD1 4.14Š| ||
| 96 | D | 32.6 | Very low | 33.3 | Very low | 104 Ų | 104 | 94.6 Ų | 94.6 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | trans | -68.4 | 134.1 | -174.6 | -71.7 | -63.1 | 0 | 0 | 0 | 111.1 | P98 H99 L196 | D96-P98 VanDerWaalsContact C-N 3.32Å; D96-P98 WeakPolarHBondContact O-CD 3.34Å; D96-H99 WeakPolarHBondContact O-CB 3.46Å; D96-H99 PolarHBondContact O-N 2.89Å; D96-L196 HydrophobicContact CB-CD1 3.93Å | ||
| 97 | P | 40.8 | Very low | 34.2 | Very low | 96 Ų | 96 | 90.8 Ų | 90.8 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -33.5 | -163 | 8.2 | -19.4 | 0 | 0 | 0 | 116.5 | H99 | P97-H99 VanDerWaalsContact C-N 3.26Å; P97-H99 PolarHBondContact O-N 3.42Å |
| 98 | P | 33.8 | Very low | 35.3 | Very low | 23 Ų | 23 | 90.6 Ų | 90.6 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.6 | -23.9 | 178.9 | -19.6 | 33.2 | 0 | 0 | 0 | 114.6 | D96 I100 N194 V195 L196 | D96-P98 VanDerWaalsContact C-N 3.32Å; D96-P98 WeakPolarHBondContact O-CD 3.34Å; P98-I100 VanDerWaalsContact C-N 3.25Å; P98-I100 PolarHBondContact O-N 3.45Å; P98-I100 VanDerWaalsContact O-N 3.17Å; P98-N194 HydrophobicContact CB-CB 3.92Å; P98-N194 WeakPolarHBondContact CB-OD1 3.14Å; P98-N194 HydrophobicContact CG-CB 4.08Å; P98-N194 WeakPolarHBondContact CG-OD1 3.2Å; P98-N194 CarbonylContact O-C 3.57Å; P98-V195 VanDerWaalsContact CB-C 3.43Å; P98-V195 VanDerWaalsContact CB-N 3.3Å; P98-V195 WeakPolarHBondContact CB-O 3.45Å; P98-V195 CarbonylContact O-C 3.15Å; P98-V195 WeakPolarHBondContact O-CA 3.39Å; P98-V195 PolarHBondContact O-N 3.1Å; P98-L196 HydrophobicContact CB-CB 3.53Å; P98-L196 HydrophobicContact CB-CD1 3.98Å; P98-L196 HydrophobicContact CB-CG 4.35Å; P98-L196 HydrophobicContact CG-CD1 4.19Å; P98-L196 PolarHBondContact O-N 2.76Å |
| 99 | H | 33.2 | Very low | 36.4 | Very low | 44 Ų | 44 | 90.6 Ų | 90.6 | 20% | 0.204 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.2 | -30.8 | -167.1 | -143.7 | -38.4 | 0 | 0 | 0 | 113.7 | D96 P97 L196 E197 I198 | D96-H99 WeakPolarHBondContact O-CB 3.46Å; D96-H99 PolarHBondContact O-N 2.89Å; P97-H99 VanDerWaalsContact C-N 3.26Å; P97-H99 PolarHBondContact O-N 3.42Å; H99-L196 WeakPolarHBondContact CA-O 3.13Å; H99-L196 HydrophobicContact CB-CB 4.31Å; H99-L196 HydrophobicContact CB-CD1 4.14Å; H99-L196 HydrophobicContact CB-CD2 4.41Å; H99-L196 VanDerWaalsContact CD2-CD2 3.47Å; H99-L196 WeakPolarHBondContact CD2-CD2 3.44Å; H99-L196 PolarHBondContact ND1-O 2.7Å; H99-E197 VanDerWaalsContact CE1-CA 3.49Å; H99-E197 WeakPolarHBondContact CE1-CA 3.31Å; H99-I198 PolarHBondContact CE1-N 3.37Å; H99-I198 VanDerWaalsContact CE1-N 3.25Å; H99-I198 PolarHBondContact NE2-N 3.48Å; H99-I198 VanDerWaalsContact NE2-N 3.11Å |
| 100 | I | 37.4 | Very low | 37.5 | Very low | 59 Ų | 59 | 84.6 Ų | 84.6 | 30% | 0.303 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -88.5 | -32.5 | -164 | -65 | 149.7 | 0 | 0 | 0 | 111.1 | A95 P98 I103 G104 | A95-I100 HydrophobicContact CB-CD1 4.14Å; P98-I100 VanDerWaalsContact C-N 3.25Å; P98-I100 PolarHBondContact O-N 3.45Å; P98-I100 VanDerWaalsContact O-N 3.17Å; I100-I103 PolarHBondContact O-N 3Å; I100-G104 PolarHBondContact O-N 3.43Å |
| 101 | A | 34.8 | Very low | 38.6 | Very low | 50 Ų | 50 | 81.4 Ų | 81.4 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -85.6 | -14.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A105 N194 | A101-A105 WeakPolarHBondContact O-CB 3.34Å; A101-A105 PolarHBondContact O-N 2.89Å; A101-N194 WeakPolarHBondContact CB-O 3.29Å |
| 102 | M | 36.7 | Very low | 39.6 | Very low | 61 Ų | 61 | 77.5 Ų | 77.5 | 30% | 0.3 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 162.3 | -174.2 | 145.8 | 54.6 | 0 | 0 | 111.6 | A105 S106 V195 L196 E197 | M102-A105 PolarHBondContact O-N 3.29Å; M102-S106 PolarHBondContact O-N 2.91Å; M102-S106 PolarHBondContact O-OG 3.37Å; M102-V195 HydrophobicContact CB-CB 4.35Å; M102-V195 HydrophobicContact CB-CG1 3.84Å; M102-V195 HydrophobicContact CE-CG1 3.92Å; M102-V195 HydrophobicContact CG-CG1 4.04Å; M102-V195 HydrophobicContact SD-CG1 3.44Å; M102-V195 WeakPolarHBondContact SD-CG1 3.4Å; M102-L196 WeakPolarHBondContact CE-O 3.36Å; M102-E197 HydrophobicContact CE-CB 3.64Å |
| 103 | I | 38 | Very low | 40.6 | Very low | 70 Ų | 70 | 72.2 Ų | 72.2 | 36% | 0.359 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.2 | -61.7 | 168.6 | 0 | 0 | 0 | 110.4 | I100 A105 S106 I107 | I100-I103 PolarHBondContact O-N 3Å; I103-A105 PolarHBondContact O-N 2.91Å; I103-S106 PolarHBondContact O-N 3.33Å; I103-S106 PolarHBondContact O-OG 3.45Å; I103-S106 VanDerWaalsContact O-OG 3.07Å; I103-I107 HydrophobicContact CG2-CD1 4.18Å; I103-I107 WeakPolarHBondContact O-CG1 3.32Å; I103-I107 PolarHBondContact O-N 2.87Å |
| 104 | G | 40.9 | Very low | 41.4 | Very low | 21 Ų | 21 | 68.5 Ų | 68.5 | 22% | 0.216 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | I100 M108 | I100-G104 PolarHBondContact O-N 3.43Å; G104-M108 VanDerWaalsContact O-CG 3.29Å; G104-M108 WeakPolarHBondContact O-CG 3.45Å; G104-M108 PolarHBondContact O-N 2.97Å; G104-M108 VanDerWaalsContact O-N 3.12Å |
| 105 | A | 38.6 | Very low | 42.5 | Very low | 50 Ų | 50 | 59.2 Ų | 59.2 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A101 M102 I103 I107 M108 V109 | A101-A105 WeakPolarHBondContact O-CB 3.34Å; A101-A105 PolarHBondContact O-N 2.89Å; M102-A105 PolarHBondContact O-N 3.29Å; I103-A105 PolarHBondContact O-N 2.91Å; A105-I107 PolarHBondContact O-N 3.47Å; A105-M108 PolarHBondContact O-N 3.15Å; A105-V109 WeakPolarHBondContact O-CG2 3.44Å; A105-V109 PolarHBondContact O-N 3.32Å |
| 106 | S | 39.3 | Very low | 43.1 | Very low | 68 Ų | 68 | 59.6 Ų | 59.6 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | -178.6 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | M102 I103 V109 A110 | M102-S106 PolarHBondContact O-N 2.91Å; M102-S106 PolarHBondContact O-OG 3.37Å; I103-S106 PolarHBondContact O-N 3.33Å; I103-S106 PolarHBondContact O-OG 3.45Å; I103-S106 VanDerWaalsContact O-OG 3.07Å; S106-V109 PolarHBondContact O-N 2.69Å; S106-A110 PolarHBondContact O-N 3.31Å |
| 107 | I | 47.4 | Very low | 44.2 | Very low | 65 Ų | 65 | 59.4 Ų | 59.4 | 33% | 0.333 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 175.4 | -57.6 | 163.9 | 0 | 0 | 0 | 110.7 | M69 I103 A105 V109 A110 V111 | M69-I107 HydrophobicContact CE-CB 3.87Å; M69-I107 HydrophobicContact CE-CD1 4Å; M69-I107 HydrophobicContact CE-CG2 3.54Å; M69-I107 HydrophobicContact SD-CD1 3.89Å; I103-I107 HydrophobicContact CG2-CD1 4.18Å; I103-I107 WeakPolarHBondContact O-CG1 3.32Å; I103-I107 PolarHBondContact O-N 2.87Å; A105-I107 PolarHBondContact O-N 3.47Å; I107-V109 VanDerWaalsContact C-N 3.32Å; I107-V109 PolarHBondContact O-N 3.32Å; I107-A110 PolarHBondContact O-N 2.94Å; I107-V111 WeakPolarHBondContact O-CG2 3.37Å; I107-V111 PolarHBondContact O-N 2.87Å |
| 108 | M | 47.9 | Very low | 44.8 | Very low | 102 Ų | 102 | 56.1 Ų | 56.1 | 50% | 0.502 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 174.1 | -73.4 | -66.1 | -69 | 0 | 0 | 112.4 | F67 G104 A105 A112 | F67-M108 HydrophobicContact CE1-SD 4.33Å; G104-M108 VanDerWaalsContact O-CG 3.29Å; G104-M108 WeakPolarHBondContact O-CG 3.45Å; G104-M108 PolarHBondContact O-N 2.97Å; G104-M108 VanDerWaalsContact O-N 3.12Å; A105-M108 PolarHBondContact O-N 3.15Å; M108-A112 VanDerWaalsContact O-CB 3.27Å; M108-A112 WeakPolarHBondContact O-CB 3.17Å; M108-A112 PolarHBondContact O-N 2.91Å |
| 109 | V | 50.1 | Low | 45.4 | Very low | 84 Ų | 84 | 60.5 Ų | 60.5 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 172.2 | 169 | 0 | 0 | 0 | 0 | 110.8 | A105 S106 I107 V111 A112 S113 | A105-V109 WeakPolarHBondContact O-CG2 3.44Å; A105-V109 PolarHBondContact O-N 3.32Å; S106-V109 PolarHBondContact O-N 2.69Å; I107-V109 VanDerWaalsContact C-N 3.32Å; I107-V109 PolarHBondContact O-N 3.32Å; V109-V111 PolarHBondContact O-N 3.01Å; V109-A112 PolarHBondContact O-N 2.82Å; V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.34Å; V109-S113 PolarHBondContact O-OG 2.87Å |
| 110 | A | 50.2 | Low | 46 | Very low | 59 Ų | 59 | 63 Ų | 63 | 49% | 0.488 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S106 I107 S113 A114 | S106-A110 PolarHBondContact O-N 3.31Å; I107-A110 PolarHBondContact O-N 2.94Å; A110-S113 PolarHBondContact O-N 3.36Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.14Å |
| 111 | V | 53.2 | Low | 46.5 | Very low | 35 Ų | 35 | 65.7 Ų | 65.7 | 21% | 0.212 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I46 F59 I107 V109 A114 A115 | I46-V111 HydrophobicContact CD1-CG1 4.31Å; F59-V111 HydrophobicContact CZ-CG2 4.39Å; I107-V111 WeakPolarHBondContact O-CG2 3.37Å; I107-V111 PolarHBondContact O-N 2.87Å; V109-V111 PolarHBondContact O-N 3.01Å; V111-A114 PolarHBondContact O-N 2.82Å; V111-A115 WeakPolarHBondContact O-CB 3.25Å; V111-A115 PolarHBondContact O-N 3.26Å |
| 112 | A | 51.8 | Low | 47.3 | Very low | 60 Ų | 60 | 67.9 Ų | 67.9 | 50% | 0.496 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | M108 V109 A115 A116 | M108-A112 VanDerWaalsContact O-CB 3.27Å; M108-A112 WeakPolarHBondContact O-CB 3.17Å; M108-A112 PolarHBondContact O-N 2.91Å; V109-A112 PolarHBondContact O-N 2.82Å; A112-A115 PolarHBondContact O-N 3.46Å; A112-A116 VanDerWaalsContact O-CB 3.32Å; A112-A116 WeakPolarHBondContact O-CB 3.32Å; A112-A116 PolarHBondContact O-N 2.71Å |
| 113 | S | 50.4 | Low | 47.8 | Very low | 60 Ų | 60 | 70.1 Ų | 70.1 | 42% | 0.42 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 173.1 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | V109 A110 A115 A116 I117 | V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.34Å; V109-S113 PolarHBondContact O-OG 2.87Å; A110-S113 PolarHBondContact O-N 3.36Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-A116 PolarHBondContact O-N 2.88Å; S113-I117 WeakPolarHBondContact O-CB 3.44Å; S113-I117 WeakPolarHBondContact O-CD1 3.33Å; S113-I117 VanDerWaalsContact O-CG1 3.25Å; S113-I117 WeakPolarHBondContact O-CG1 3.34Å; S113-I117 PolarHBondContact O-N 3.31Å |
| 114 | A | 49.6 | Very low | 48.1 | Very low | 36 Ų | 36 | 71.4 Ų | 71.4 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A110 V111 T118 | A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 3.14Å; V111-A114 PolarHBondContact O-N 2.82Å; A114-T118 VanDerWaalsContact O-CB 3.23Å; A114-T118 WeakPolarHBondContact O-CB 3.23Å; A114-T118 PolarHBondContact O-N 2.87Å; A114-T118 PolarHBondContact O-OG1 2.97Å |
| 115 | A | 50.4 | Low | 48.1 | Very low | 47 Ų | 47 | 75 Ų | 75 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V111 A112 S113 T118 L119 | V111-A115 WeakPolarHBondContact O-CB 3.25Å; V111-A115 PolarHBondContact O-N 3.26Å; A112-A115 PolarHBondContact O-N 3.46Å; S113-A115 PolarHBondContact O-N 3.49Å; A115-T118 WeakPolarHBondContact O-CB 3.45Å; A115-T118 PolarHBondContact O-N 3.44Å; A115-L119 WeakPolarHBondContact O-CB 3.46Å; A115-L119 PolarHBondContact O-N 3.21Å |
| 116 | A | 49 | Very low | 48 | Very low | 58 Ų | 58 | 75.7 Ų | 75.7 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.8 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A112 S113 T118 L119 L120 | A112-A116 VanDerWaalsContact O-CB 3.32Å; A112-A116 WeakPolarHBondContact O-CB 3.32Å; A112-A116 PolarHBondContact O-N 2.71Å; S113-A116 PolarHBondContact O-N 2.88Å; A116-T118 VanDerWaalsContact C-N 3.32Å; A116-L119 PolarHBondContact O-N 3.35Å; A116-L120 WeakPolarHBondContact O-CB 3.34Å; A116-L120 PolarHBondContact O-N 3.45Å |
| 117 | I | 53.9 | Low | 47.8 | Very low | 100 Ų | 100 | 76.1 Ų | 76.1 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 173.5 | -68.5 | 163.6 | 0 | 0 | 0 | 110.1 | S113 L120 L121 | S113-I117 WeakPolarHBondContact O-CB 3.44Å; S113-I117 WeakPolarHBondContact O-CD1 3.33Å; S113-I117 VanDerWaalsContact O-CG1 3.25Å; S113-I117 WeakPolarHBondContact O-CG1 3.34Å; S113-I117 PolarHBondContact O-N 3.31Å; I117-L120 PolarHBondContact O-N 3.44Å; I117-L121 HydrophobicContact CG2-CD1 3.9Å; I117-L121 HydrophobicContact CG2-CG 4.43Å; I117-L121 VanDerWaalsContact O-CG 3.32Å; I117-L121 WeakPolarHBondContact O-CG 3.27Å; I117-L121 PolarHBondContact O-N 2.92Å |
| 118 | T | 53.6 | Low | 47.2 | Very low | 26 Ų | 26 | 81.8 Ų | 81.8 | 16% | 0.16 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -57.7 | -53.3 | 173.5 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | F44 A114 A115 A116 L120 L121 T122 | F44-T118 HydrophobicContact CD1-CG2 3.68Å; F44-T118 HydrophobicContact CD2-CG2 3.54Å; F44-T118 HydrophobicContact CE1-CG2 3.56Å; F44-T118 WeakPolarHBondContact CE1-OG1 3.39Å; F44-T118 HydrophobicContact CE2-CG2 3.43Å; F44-T118 VanDerWaalsContact CE2-CG2 3.43Å; F44-T118 HydrophobicContact CG-CG2 3.66Å; F44-T118 HydrophobicContact CZ-CG2 3.44Å; F44-T118 VanDerWaalsContact CZ-CG2 3.44Å; A114-T118 VanDerWaalsContact O-CB 3.23Å; A114-T118 WeakPolarHBondContact O-CB 3.23Å; A114-T118 PolarHBondContact O-N 2.87Å; A114-T118 PolarHBondContact O-OG1 2.97Å; A115-T118 WeakPolarHBondContact O-CB 3.45Å; A115-T118 PolarHBondContact O-N 3.44Å; A116-T118 VanDerWaalsContact C-N 3.32Å; T118-L120 VanDerWaalsContact C-N 3.26Å; T118-L120 PolarHBondContact O-N 3.42Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-L121 VanDerWaalsContact O-N 3.15Å; T118-T122 WeakPolarHBondContact O-CB 3.43Å; T118-T122 PolarHBondContact O-N 3.39Å; T118-T122 PolarHBondContact O-OG1 3.07Å |
| 119 | L | 48 | Very low | 46.7 | Very low | 116 Ų | 116 | 84.2 Ų | 84.2 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.3 | -37.8 | 178.6 | -84.5 | 163.4 | 0 | 0 | 0 | 112.2 | A115 A116 T123 | A115-L119 WeakPolarHBondContact O-CB 3.46Å; A115-L119 PolarHBondContact O-N 3.21Å; A116-L119 PolarHBondContact O-N 3.35Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 WeakPolarHBondContact O-CG2 3.46Å; L119-T123 PolarHBondContact O-N 3.35Å; L119-T123 PolarHBondContact O-OG1 2.9Å |
| 120 | L | 44.1 | Very low | 46.3 | Very low | 96 Ų | 96 | 87.8 Ų | 87.8 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -46.7 | 175.5 | -157.5 | 77.8 | 0 | 0 | 0 | 111.1 | A116 I117 T118 T123 C124 | A116-L120 WeakPolarHBondContact O-CB 3.34Å; A116-L120 PolarHBondContact O-N 3.45Å; I117-L120 PolarHBondContact O-N 3.44Å; T118-L120 VanDerWaalsContact C-N 3.26Å; T118-L120 PolarHBondContact O-N 3.42Å; L120-T123 PolarHBondContact O-N 2.9Å; L120-T123 PolarHBondContact O-OG1 3.5Å; L120-C124 VanDerWaalsContact O-CB 3.29Å; L120-C124 WeakPolarHBondContact O-CB 3.34Å; L120-C124 PolarHBondContact O-N 2.86Å; L120-C124 PolarHBondContact O-SG 3.11Å; L120-C124 VanDerWaalsContact O-SG 3.32Å |
| 121 | L | 48 | Very low | 45.7 | Very low | 116 Ų | 116 | 92.6 Ų | 92.6 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.7 | -42.3 | 178.2 | -69.5 | 170.2 | 0 | 0 | 0 | 112 | I117 T118 T123 C124 S125 | I117-L121 HydrophobicContact CG2-CD1 3.9Å; I117-L121 HydrophobicContact CG2-CG 4.43Å; I117-L121 VanDerWaalsContact O-CG 3.32Å; I117-L121 WeakPolarHBondContact O-CG 3.27Å; I117-L121 PolarHBondContact O-N 2.92Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-L121 VanDerWaalsContact O-N 3.15Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-T123 PolarHBondContact O-N 2.74Å; L121-C124 PolarHBondContact O-N 3.28Å; L121-S125 WeakPolarHBondContact O-CB 3.44Å; L121-S125 PolarHBondContact O-N 3.25Å |
| 122 | T | 51.5 | Low | 45.3 | Very low | 95 Ų | 95 | 98.6 Ų | 98.6 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.3 | -26.6 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | T118 | T118-T122 WeakPolarHBondContact O-CB 3.43Å; T118-T122 PolarHBondContact O-N 3.39Å; T118-T122 PolarHBondContact O-OG1 3.07Å |
| 123 | T | 48.2 | Very low | 45 | Very low | 108 Ų | 108 | 102 Ų | 102 | 66% | 0.663 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -91.9 | -18.9 | 175.2 | 55 | 0 | 0 | 0 | 0 | 114.1 | L119 L120 L121 | L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 WeakPolarHBondContact O-CG2 3.46Å; L119-T123 PolarHBondContact O-N 3.35Å; L119-T123 PolarHBondContact O-OG1 2.9Å; L120-T123 PolarHBondContact O-N 2.9Å; L120-T123 PolarHBondContact O-OG1 3.5Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-T123 PolarHBondContact O-N 2.74Å |
| 124 | C | 43.1 | Very low | 44.2 | Very low | 97 Ų | 97 | 106.6 Ų | 106.6 | 66% | 0.655 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -93.3 | -19.2 | 173 | -67 | 0 | 0 | 0 | 0 | 114.2 | L120 L121 G126 | L120-C124 VanDerWaalsContact O-CB 3.29Å; L120-C124 WeakPolarHBondContact O-CB 3.34Å; L120-C124 PolarHBondContact O-N 2.86Å; L120-C124 PolarHBondContact O-SG 3.11Å; L120-C124 VanDerWaalsContact O-SG 3.32Å; L121-C124 PolarHBondContact O-N 3.28Å; C124-G126 PolarHBondContact O-N 3.12Å |
| 125 | S | 41.8 | Very low | 43.6 | Very low | 97 Ų | 97 | 111.2 Ų | 111.2 | 68% | 0.678 | 66% | 0.66 | S | S | * | * | trans | -80.9 | 61.2 | 174.9 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | L121 G127 | L121-S125 WeakPolarHBondContact O-CB 3.44Å; L121-S125 PolarHBondContact O-N 3.25Å; S125-G127 PolarHBondContact O-N 3.05Å | ||
| 126 | G | 36.1 | Very low | 43 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 120.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C124 E128 | C124-G126 PolarHBondContact O-N 3.12Å; G126-E128 PolarHBondContact O-N 2.95Å |
| 127 | G | 34.7 | Very low | 42.2 | Very low | 78 Ų | 78 | 118 Ų | 118 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 118.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S125 | S125-G127 PolarHBondContact O-N 3.05Š|
| 128 | E | 35.7 | Very low | 41.3 | Very low | 183 Ų | 183 | 118.8 Ų | 118.8 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.1 | 158.2 | -66 | 159.4 | 100.3 | 0 | 0 | 108.1 | G126 | G126-E128 PolarHBondContact O-N 2.95Š|
| 129 | D | 36.5 | Very low | 40.6 | Very low | 153 Ų | 153 | 122 Ų | 122 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | 163.9 | 159.5 | 143.7 | -85.2 | -24.3 | 0 | 0 | 0 | 111.5 | ||||
| 130 | D | 43.4 | Very low | 40 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 64.7 | 106.8 | 178.6 | -67.2 | -36.6 | 0 | 0 | 0 | 118 | ||||
| 131 | D | 37.6 | Very low | 39.8 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -57.3 | 140.6 | 169.6 | -55.7 | -93.5 | 0 | 0 | 0 | 113.3 | ||||
| 132 | I | 44.7 | Very low | 39.3 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -171 | 118.3 | 134.5 | -102.6 | 153.1 | 0 | 0 | 0 | 112.7 | ||||
| 133 | V | 44.2 | Very low | 39 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 61.8 | 120.1 | 152.8 | -179.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 134 | D | 34.1 | Very low | 38.7 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -52 | 132.1 | 161.4 | -71.9 | -90.7 | 0 | 0 | 0 | 113.2 | ||||
| 135 | D | 38.2 | Very low | 39.1 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | -155.2 | 146.9 | 123.1 | -146.3 | 12.6 | 0 | 0 | 0 | 115.7 | |||||
| 136 | H | 36.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 36.9 | 82.3 | 155.4 | -69.7 | 14.6 | 0 | 0 | 0 | 121.4 | ||||
| 137 | G | 31.8 | Very low | 39.8 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | 90.9 | 137.2 | 102.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 138 | S | 34.7 | Very low | 40.2 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 76.8 | 157.1 | 154.3 | -141.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 139 | P | 39.9 | Very low | 40.8 | Very low | 92 Ų | 92 | 135 Ų | 135 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | -121 | 149.3 | -63.6 | 35.9 | -25.4 | 0 | 0 | 0 | 112.2 | Q141 | P139-Q141 PolarHBondContact O-N 3.32Š| |||
| 140 | R | 34.1 | Very low | 41.1 | Very low | 256 Ų | 256 | 130.1 Ų | 130.1 | 97% | 0.966 | 70% | 0.701 | S | S | * | * | trans | -64.3 | 117.2 | 175 | -71.4 | 178.6 | 170.4 | -179.2 | -4.1 | 110.8 | ||||
| 141 | Q | 41.3 | Very low | 41.4 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -125.2 | 104.3 | 174.4 | -73.2 | -168.4 | -31.7 | 0 | 0 | 112.3 | P139 T143 | P139-Q141 PolarHBondContact O-N 3.32Å; Q141-T143 PolarHBondContact O-N 3.19Å | ||
| 142 | D | 36.3 | Very low | 41.5 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | 25.2 | 61.4 | 146.6 | -52.6 | -33.5 | 0 | 0 | 0 | 119 | H144 S145 | D142-H144 PolarHBondContact O-N 3.22Å; D142-S145 WeakPolarHBondContact O-CB 3.15Å; D142-S145 PolarHBondContact O-N 3.49Å; D142-S145 VanDerWaalsContact O-N 3.13Å | ||
| 143 | T | 46 | Very low | 41.7 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 64% | 0.638 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -19.8 | 173.1 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | Q141 S145 | Q141-T143 PolarHBondContact O-N 3.19Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 2.92Å |
| 144 | H | 42.2 | Very low | 41.8 | Very low | 158 Ų | 158 | 123.9 Ų | 123.9 | 73% | 0.731 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65 | -28.4 | 175.8 | -67.2 | -78.1 | 0 | 0 | 0 | 114 | D142 F146 | D142-H144 PolarHBondContact O-N 3.22Å; H144-F146 PolarHBondContact O-N 3.48Å |
| 145 | S | 52 | Low | 42.5 | Very low | 58 Ų | 58 | 125.1 Ų | 125.1 | 41% | 0.406 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.6 | -37.5 | -174.5 | -176.1 | 0 | 0 | 0 | 0 | 113.5 | D142 T143 V147 E148 L149 | D142-S145 WeakPolarHBondContact O-CB 3.15Å; D142-S145 PolarHBondContact O-N 3.49Å; D142-S145 VanDerWaalsContact O-N 3.13Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 2.92Å; S145-V147 PolarHBondContact O-N 3.06Å; S145-E148 PolarHBondContact O-N 3.17Å; S145-L149 WeakPolarHBondContact O-CG 3.33Å; S145-L149 PolarHBondContact O-N 3.01Å; S145-L149 VanDerWaalsContact O-N 3.07Å |
| 146 | F | 47 | Very low | 43 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.4 | -31.7 | -173.5 | -73.9 | -85.2 | 0 | 0 | 0 | 113.8 | H144 A150 | H144-F146 PolarHBondContact O-N 3.48Å; F146-A150 PolarHBondContact O-N 3.3Å |
| 147 | V | 44.9 | Very low | 43.1 | Very low | 76 Ų | 76 | 117.5 Ų | 117.5 | 46% | 0.461 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.8 | -42.4 | 178.9 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | S145 A150 I151 | S145-V147 PolarHBondContact O-N 3.06Å; V147-A150 PolarHBondContact O-N 3.3Å; V147-I151 HydrophobicContact CG1-CD1 4.02Å; V147-I151 WeakPolarHBondContact O-CG1 3.38Å; V147-I151 PolarHBondContact O-N 3.03Å |
| 148 | E | 42.2 | Very low | 43.6 | Very low | 136 Ų | 136 | 116.6 Ų | 116.6 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.8 | -42.3 | 174.2 | -64.9 | -161.1 | 138.1 | 0 | 0 | 111.7 | S145 A150 I151 L152 | S145-E148 PolarHBondContact O-N 3.17Å; E148-A150 PolarHBondContact O-N 3.47Å; E148-I151 PolarHBondContact O-N 3.49Å; E148-L152 WeakPolarHBondContact O-CB 3.06Å; E148-L152 VanDerWaalsContact O-CD1 3.26Å; E148-L152 WeakPolarHBondContact O-CD1 3.4Å; E148-L152 PolarHBondContact O-N 3.31Å |
| 149 | L | 49.1 | Very low | 43.9 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59 | -42.9 | 175 | -80.1 | 165.8 | 0 | 0 | 0 | 112.7 | S145 L152 Q153 | S145-L149 WeakPolarHBondContact O-CG 3.33Å; S145-L149 PolarHBondContact O-N 3.01Å; S145-L149 VanDerWaalsContact O-N 3.07Å; L149-L152 PolarHBondContact O-N 3.45Å; L149-Q153 WeakPolarHBondContact O-CG 3.29Å; L149-Q153 PolarHBondContact O-N 2.77Å |
| 150 | A | 43.5 | Very low | 44.1 | Very low | 51 Ų | 51 | 121.8 Ų | 121.8 | 42% | 0.421 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.4 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F146 V147 E148 Q153 L154 | F146-A150 PolarHBondContact O-N 3.3Å; V147-A150 PolarHBondContact O-N 3.3Å; E148-A150 PolarHBondContact O-N 3.47Å; A150-Q153 PolarHBondContact O-N 3.15Å; A150-L154 WeakPolarHBondContact O-CG 3.47Å; A150-L154 PolarHBondContact O-N 3.41Å; A150-L154 VanDerWaalsContact O-N 3.1Å |
| 151 | I | 49.3 | Very low | 44.4 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.6 | -40.8 | 176.7 | -67.2 | 167.7 | 0 | 0 | 0 | 110.9 | V147 E148 L154 K155 | V147-I151 HydrophobicContact CG1-CD1 4.02Å; V147-I151 WeakPolarHBondContact O-CG1 3.38Å; V147-I151 PolarHBondContact O-N 3.03Å; E148-I151 PolarHBondContact O-N 3.49Å; I151-L154 PolarHBondContact O-N 2.87Å; I151-K155 WeakPolarHBondContact O-CB 3.39Å; I151-K155 PolarHBondContact O-N 3.09Å |
| 152 | L | 38.8 | Very low | 44.4 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -39.1 | 175.4 | -97.6 | 100.3 | 0 | 0 | 0 | 112.6 | E148 L149 K155 S156 | E148-L152 WeakPolarHBondContact O-CB 3.06Å; E148-L152 VanDerWaalsContact O-CD1 3.26Å; E148-L152 WeakPolarHBondContact O-CD1 3.4Å; E148-L152 PolarHBondContact O-N 3.31Å; L149-L152 PolarHBondContact O-N 3.45Å; L152-K155 PolarHBondContact O-N 2.92Å; L152-S156 WeakPolarHBondContact O-CB 3.14Å; L152-S156 PolarHBondContact O-N 2.63Å; L152-S156 PolarHBondContact O-OG 2.88Å |
| 153 | Q | 48.4 | Very low | 44.8 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.1 | -39.9 | 178.1 | -73 | -172.4 | 18.3 | 0 | 0 | 112.3 | L149 A150 S156 | L149-Q153 WeakPolarHBondContact O-CG 3.29Å; L149-Q153 PolarHBondContact O-N 2.77Å; A150-Q153 PolarHBondContact O-N 3.15Å; Q153-S156 PolarHBondContact O-OG 3.17Å |
| 154 | L | 47.2 | Very low | 44.2 | Very low | 139 Ų | 139 | 123 Ų | 123 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.8 | -42.2 | 172 | -71.6 | 166.6 | 0 | 0 | 0 | 111.8 | A150 I151 | A150-L154 WeakPolarHBondContact O-CG 3.47Å; A150-L154 PolarHBondContact O-N 3.41Å; A150-L154 VanDerWaalsContact O-N 3.1Å; I151-L154 PolarHBondContact O-N 2.87Å |
| 155 | K | 48.6 | Very low | 43.9 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 80% | 0.796 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.7 | -18.5 | -176.1 | -164.2 | 170.6 | -176.3 | 177.1 | 0 | 114.4 | I151 L152 | I151-K155 WeakPolarHBondContact O-CB 3.39Å; I151-K155 PolarHBondContact O-N 3.09Å; L152-K155 PolarHBondContact O-N 2.92Å |
| 156 | S | 48.9 | Very low | 43 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.4 | 178 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | L152 Q153 G158 | L152-S156 WeakPolarHBondContact O-CB 3.14Å; L152-S156 PolarHBondContact O-N 2.63Å; L152-S156 PolarHBondContact O-OG 2.88Å; Q153-S156 PolarHBondContact O-OG 3.17Å; S156-G158 PolarHBondContact O-N 2.78Å |
| 157 | G | 38.4 | Very low | 42.3 | Very low | 58 Ų | 58 | 122.3 Ų | 122.3 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.8 | 27.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K159 | G157-K159 PolarHBondContact O-N 3.35Š|
| 158 | G | 42.8 | Very low | 42.2 | Very low | 58 Ų | 58 | 129 Ų | 129 | 60% | 0.598 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.3 | 5.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | S156 V160 | S156-G158 PolarHBondContact O-N 2.78Å; G158-V160 PolarHBondContact O-N 2.71Å |
| 159 | K | 40.4 | Very low | 42 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | trans | -77 | 57.6 | -176.5 | -71 | -175.9 | 179.2 | 176.3 | 0 | 113.9 | G157 C161 | G157-K159 PolarHBondContact O-N 3.35Å; K159-C161 PolarHBondContact O-N 3.08Å; K159-C161 VanDerWaalsContact O-N 3.09Å | ||
| 160 | V | 45.2 | Very low | 41.7 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -76.5 | 94.7 | 170.7 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | G158 R162 | G158-V160 PolarHBondContact O-N 2.71Å; V160-R162 PolarHBondContact O-N 3.47Å | ||
| 161 | C | 40 | Very low | 41.7 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -58.3 | 122.8 | -179.3 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | K159 K163 | K159-C161 PolarHBondContact O-N 3.08Å; K159-C161 VanDerWaalsContact O-N 3.09Å; C161-K163 VanDerWaalsContact C-N 3.34Å; C161-K163 PolarHBondContact O-N 3.27Å | ||
| 162 | R | 41.4 | Very low | 41.3 | Very low | 249 Ų | 249 | 134.1 Ų | 134.1 | 94% | 0.94 | 75% | 0.753 | S | S | * | * | trans | -63.7 | 91.7 | 162.5 | -71.5 | -176.2 | 178.1 | 174.9 | 2.3 | 109.6 | V160 | V160-R162 PolarHBondContact O-N 3.47Š| ||
| 163 | K | 43.8 | Very low | 41.5 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -103.6 | 99.2 | 175.7 | -159.2 | 172.9 | -172.6 | 179 | 0 | 110.6 | C161 G165 | C161-K163 VanDerWaalsContact C-N 3.34Å; C161-K163 PolarHBondContact O-N 3.27Å; K163-G165 PolarHBondContact O-N 2.94Å | ||
| 164 | S | 34.2 | Very low | 41.1 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -60 | 126.5 | 168.2 | 36.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 165 | G | 35.8 | Very low | 41.1 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -137.8 | 85.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K163 | K163-G165 PolarHBondContact O-N 2.94Š| ||
| 166 | Q | 32.6 | Very low | 40.8 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -83.6 | 120.6 | 178.1 | 171.4 | -159.8 | 53.3 | 0 | 0 | 111.1 | ||||
| 167 | A | 33.6 | Very low | 40.5 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | -167 | 111 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 168 | K | 42.2 | Very low | 41 | Very low | 215 Ų | 215 | 136 Ų | 136 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | 62.9 | 142.7 | 140.7 | -58.3 | 178.8 | -179 | 178.9 | 0 | 121 | ||||
| 169 | S | 36.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -110.4 | 174.7 | 177 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 170 | P | 42.7 | Very low | 41.1 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | -133.6 | 130.3 | 107.1 | 32.5 | -19.9 | 0 | 0 | 0 | 112.3 | |||||
| 171 | V | 43.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | 88.7 | 120 | 73 | 168.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 172 | N | 42 | Very low | 41 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 69 | 147 | 168.3 | -67.1 | -10.9 | 0 | 0 | 0 | 118.3 | ||||
| 173 | S | 42.4 | Very low | 41.1 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | cis | -148 | 135.3 | 3.2 | -144.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 174 | S | 39.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 46.5 | 105.4 | 134.4 | -49.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 175 | R | 47.1 | Very low | 41.7 | Very low | 230 Ų | 230 | 133.5 Ų | 133.5 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | 179.3 | 124.1 | 100.2 | -101.5 | 174.9 | 170.2 | 169.6 | -3.5 | 115.3 | |||||
| 176 | T | 42.9 | Very low | 42.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | 33 | 141.7 | 128.2 | 63.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 177 | S | 42.9 | Very low | 42.8 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -165.1 | 146.9 | 20 | -150.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 178 | A | 48.3 | Very low | 43 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 62.7 | 165.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 179 | R | 45.1 | Very low | 43.2 | Very low | 246 Ų | 246 | 124.5 Ų | 124.5 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | cis | -156.1 | 148.5 | 1.5 | -155 | 175.9 | 179.4 | -163.1 | 0.2 | 111.1 | ||||
| 180 | G | 40.1 | Very low | 43.2 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | 82.4 | 116.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 181 | S | 41.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | 75 | 128.7 | 51.8 | -175.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 182 | A | 42.8 | Very low | 43.3 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | cis | -178 | 170.5 | -18.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 183 | R | 42.5 | Very low | 43.1 | Very low | 240 Ų | 240 | 125.8 Ų | 125.8 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | 74.9 | 148.6 | 167.4 | -58.7 | 175 | 172.6 | 179.1 | -4.3 | 117 | ||||
| 184 | S | 46.1 | Very low | 43.1 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | cis | -179.4 | 136.5 | -38.6 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 185 | N | 45.8 | Very low | 43.1 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | 67.6 | 156.8 | 161 | -50 | -12.9 | 0 | 0 | 0 | 116.2 | ||||
| 186 | A | 48.4 | Very low | 42.8 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | cis | -179.5 | 157.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 187 | A | 41.6 | Very low | 42.7 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 88% | 0.884 | 73% | 0.73 | S | S | * | * | cis | -152.4 | -167.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 188 | G | 38.1 | Very low | 42.9 | Very low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | cis | 155.8 | 138.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 189 | A | 46.6 | Very low | 42.8 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 94% | 0.942 | 72% | 0.717 | S | S | * | * | trans | 64.2 | 155.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 190 | G | 37 | Very low | 42.7 | Very low | 75 Ų | 75 | 113.2 Ų | 113.2 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | cis | 127.9 | 144 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 191 | A | 44.3 | Very low | 42.9 | Very low | 87 Ų | 87 | 118.3 Ų | 118.3 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | cis | -167 | 171.5 | -9.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 192 | E | 43.7 | Very low | 43.2 | Very low | 167 Ų | 167 | 118.6 Ų | 118.6 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | trans | 59.1 | 112.7 | 157.7 | -72.4 | 161.8 | -151.6 | 0 | 0 | 120 | ||||
| 193 | M | 38.2 | Very low | 43.3 | Very low | 179 Ų | 179 | 124.2 Ų | 124.2 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | 74.8 | 135.4 | 89.5 | -73.5 | -158.1 | -170 | 0 | 0 | 117.1 | |||||
| 194 | N | 43.6 | Very low | 43.8 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 51% | 0.508 | 72% | 0.721 | S | S | . | * | trans | -165.1 | 153 | 165.6 | -128 | -38.3 | 0 | 0 | 0 | 114.2 | P98 A101 | P98-N194 HydrophobicContact CB-CB 3.92Å; P98-N194 WeakPolarHBondContact CB-OD1 3.14Å; P98-N194 HydrophobicContact CG-CB 4.08Å; P98-N194 WeakPolarHBondContact CG-OD1 3.2Å; P98-N194 CarbonylContact O-C 3.57Å; A101-N194 WeakPolarHBondContact CB-O 3.29Å | ||
| 195 | V | 39.2 | Very low | 43.6 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 54% | 0.539 | 73% | 0.733 | S | S | . | * | trans | -146 | 130.3 | -162.8 | 168 | 0 | 0 | 0 | 0 | 113.6 | P98 M102 | P98-V195 VanDerWaalsContact CB-C 3.43Å; P98-V195 VanDerWaalsContact CB-N 3.3Å; P98-V195 WeakPolarHBondContact CB-O 3.45Å; P98-V195 CarbonylContact O-C 3.15Å; P98-V195 WeakPolarHBondContact O-CA 3.39Å; P98-V195 PolarHBondContact O-N 3.1Å; M102-V195 HydrophobicContact CB-CB 4.35Å; M102-V195 HydrophobicContact CB-CG1 3.84Å; M102-V195 HydrophobicContact CE-CG1 3.92Å; M102-V195 HydrophobicContact CG-CG1 4.04Å; M102-V195 HydrophobicContact SD-CG1 3.44Å; M102-V195 WeakPolarHBondContact SD-CG1 3.4Å | ||
| 196 | L | 40.8 | Very low | 43.9 | Very low | 41 Ų | 41 | 122.2 Ų | 122.2 | 22% | 0.215 | 73% | 0.733 | C | S | . | * | trans | -164.3 | 155.8 | 179.2 | -179.3 | -162.8 | 0 | 0 | 0 | 114.2 | D96 P98 H99 M102 I198 | D96-L196 HydrophobicContact CB-CD1 3.93Å; P98-L196 HydrophobicContact CB-CB 3.53Å; P98-L196 HydrophobicContact CB-CD1 3.98Å; P98-L196 HydrophobicContact CB-CG 4.35Å; P98-L196 HydrophobicContact CG-CD1 4.19Å; P98-L196 PolarHBondContact O-N 2.76Å; H99-L196 WeakPolarHBondContact CA-O 3.13Å; H99-L196 HydrophobicContact CB-CB 4.31Å; H99-L196 HydrophobicContact CB-CD1 4.14Å; H99-L196 HydrophobicContact CB-CD2 4.41Å; H99-L196 VanDerWaalsContact CD2-CD2 3.47Å; H99-L196 WeakPolarHBondContact CD2-CD2 3.44Å; H99-L196 PolarHBondContact ND1-O 2.7Å; M102-L196 WeakPolarHBondContact CE-O 3.36Å; L196-I198 HydrophobicContact CD2-CD1 3.76Å; L196-I198 HydrophobicContact CD2-CG1 3.59Å | ||
| 197 | E | 40.5 | Very low | 43.9 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | trans | -140.3 | 131.6 | 177.9 | -173 | 178.8 | 177.8 | 0 | 0 | 111.6 | H99 M102 H199 | H99-E197 VanDerWaalsContact CE1-CA 3.49Å; H99-E197 WeakPolarHBondContact CE1-CA 3.31Å; M102-E197 HydrophobicContact CE-CB 3.64Å; E197-H199 IonicContact OE1-CD2 3.69Å; E197-H199 IonicContact OE1-CE1 3.7Å; E197-H199 IonicContact OE1-NE2 2.74Å; E197-H199 PolarHBondContact OE1-NE2 3.26Å | ||
| 198 | I | 47.4 | Very low | 44.2 | Very low | 118 Ų | 118 | 122 Ų | 122 | 61% | 0.605 | 73% | 0.73 | S | S | * | * | trans | -140.9 | 143.2 | 172 | -66.9 | 168.2 | 0 | 0 | 0 | 108.2 | H99 L196 | H99-I198 PolarHBondContact CE1-N 3.37Å; H99-I198 VanDerWaalsContact CE1-N 3.25Å; H99-I198 PolarHBondContact NE2-N 3.48Å; H99-I198 VanDerWaalsContact NE2-N 3.11Å; L196-I198 HydrophobicContact CD2-CD1 3.76Å; L196-I198 HydrophobicContact CD2-CG1 3.59Å | ||
| 199 | H | 46 | Very low | 45 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 63% | 0.625 | 73% | 0.734 | S | S | * | * | trans | -111 | 142.9 | -172.5 | -79 | -123.1 | 0 | 0 | 0 | 114.2 | E197 | E197-H199 IonicContact OE1-CD2 3.69Å; E197-H199 IonicContact OE1-CE1 3.7Å; E197-H199 IonicContact OE1-NE2 2.74Å; E197-H199 PolarHBondContact OE1-NE2 3.26Å | ||
| 200 | S | 41.6 | Very low | 44.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | 56.9 | 160.9 | 148.3 | 62.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 201 | K | 46 | Very low | 46.1 | Very low | 172 Ų | 172 | 134 Ų | 134 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -113.2 | 174.5 | 179.9 | -59.5 | -177.7 | -179.9 | -179.5 | 0 | 110.7 | ||||
| 202 | P | 46.6 | Very low | 46.4 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | -140.5 | -172.4 | 105.3 | 32.5 | -15.4 | 0 | 0 | 0 | 115.8 | |||||
| 203 | K | 44.4 | Very low | 46.5 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 159.6 | -172.1 | -67.7 | 177.4 | 173.4 | 179.7 | 0 | 115.3 | ||||
| 204 | P | 53.4 | Low | 46.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | trans | -99.8 | 154.6 | 143.6 | 37.1 | -29.5 | 0 | 0 | 0 | 112.8 | ||||
| 205 | E | 42.5 | Very low | 47.1 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -143.4 | 127 | 171 | 172.5 | 174.7 | -130.4 | 0 | 0 | 107.6 | ||||
| 206 | T | 51.9 | Low | 47.6 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | trans | -158.3 | 145.3 | 173.3 | -2.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 207 | A | 48.7 | Very low | 48 | Very low | 95 Ų | 95 | 154.1 Ų | 154.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -48.8 | 160.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 208 | A | 47.5 | Very low | 48.5 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -71.9 | 151.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 209 | V | 55.3 | Low | 48.6 | Very low | 125 Ų | 125 | 158.4 Ų | 158.4 | 76% | 0.758 | 84% | 0.837 | S | S | * | * | trans | -116.9 | 111.9 | 169.1 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | K211 | V209-K211 HydrophobicContact CG1-CG 4.34Š| ||
| 210 | K | 42.9 | Very low | 48.8 | Very low | 204 Ų | 204 | 160.2 Ų | 160.2 | 89% | 0.887 | 85% | 0.853 | S | S | * | * | trans | -89.5 | 131.1 | 166.9 | -171.2 | 178.8 | -177.2 | -178.4 | 0 | 108.4 | ||||
| 211 | K | 62.8 | Low | 49.4 | Very low | 181 Ų | 181 | 163.4 Ų | 163.4 | 79% | 0.787 | 85% | 0.853 | S | S | * | * | trans | -125.3 | 160 | 162.5 | -78.4 | -168.2 | 173.7 | -175.3 | 0 | 109.7 | V209 | V209-K211 HydrophobicContact CG1-CG 4.34Š| ||
| 212 | Y | 50.9 | Low | 49.7 | Very low | 308 Ų | 308 | 162.6 Ų | 162.6 | 100% | 1.208 | 86% | 0.863 | S | S | * | * | trans | -68.5 | 0 | -168.3 | -64.6 | -96.5 | 0 | 0 | 0 | 112.5 |
Retrieved 212 of 212 residues in 60.1 ms
(Link to these results)