| 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 | 44.7 | Very low | 50.5 | Low | 233 Ų | 233 | 162.5 Ų | 162.5 | 100% | 1.148 | 80% | 0.803 | S | S | * | * | 0 | 125.5 | 0 | -80.5 | 163.9 | 163.9 | 0 | 0 | 107.5 | |||||
| 2 | E | 45.6 | Very low | 50.2 | Low | 181 Ų | 181 | 162.3 Ų | 162.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 57.5 | 97 | 155.8 | -69.2 | 167.6 | 102.5 | 0 | 0 | 120.4 | ||||
| 3 | S | 57.6 | Low | 49.8 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | 40.6 | 112.4 | 122.7 | -56.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 4 | Q | 55.5 | Low | 48.8 | Very low | 194 Ų | 194 | 160.4 Ų | 160.4 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -51.9 | 129.6 | 149.2 | -60.6 | 173.9 | -52.1 | 0 | 0 | 110.8 | ||||
| 5 | N | 61.9 | Low | 48.5 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | -122 | 121.1 | 149.1 | -165.1 | -16.6 | 0 | 0 | 0 | 108 | ||||
| 6 | N | 47.8 | Very low | 47.9 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -128.8 | 90.2 | -172.2 | -175.1 | 26.5 | 0 | 0 | 0 | 106.2 | ||||
| 7 | D | 57.1 | Low | 47.3 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 62% | 0.62 | 81% | 0.806 | S | S | * | * | trans | -129.7 | 105.8 | 163.6 | -86 | -64.2 | 0 | 0 | 0 | 106.3 | ||||
| 8 | K | 53.3 | Low | 46.6 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 68% | 0.683 | 80% | 0.798 | S | S | * | * | 57.7 | 131.9 | 93.3 | -76.2 | -179.7 | -176.1 | 155.7 | 0 | 111.3 | |||||
| 9 | R | 50.3 | Low | 46 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | cis | -177.1 | 136.6 | 2.9 | -115.8 | 171.5 | 177.7 | -159 | -2.5 | 102.9 | ||||
| 10 | Q | 48.3 | Very low | 45.6 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | 49.3 | 107.8 | 131.8 | -58.9 | -176.9 | -51.7 | 0 | 0 | 117.7 | ||||
| 11 | N | 33.5 | Very low | 45.4 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | 63.8 | 103.4 | 81.7 | -160.4 | 14.8 | 0 | 0 | 0 | 112.1 | |||||
| 12 | L | 46.6 | Very low | 44.7 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -178.7 | 157.9 | 138.4 | -120.6 | 80.4 | 0 | 0 | 0 | 110.7 | ||||
| 13 | P | 45 | Very low | 44.4 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | -127.5 | 178.8 | -82.6 | 39.3 | -24.4 | 0 | 0 | 0 | 113.6 | A15 | P13-A15 PolarHBondContact O-N 3.49Š| |||
| 14 | Q | 35.6 | Very low | 43.3 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -36.4 | 119.3 | 165.4 | -70 | 171.6 | -32.8 | 0 | 0 | 114 | ||||
| 15 | A | 44.9 | Very low | 42.7 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -91.7 | 98.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | P13 | P13-A15 PolarHBondContact O-N 3.49Š| ||
| 16 | A | 38.9 | Very low | 41.6 | Very low | 85 Ų | 85 | 145 Ų | 145 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -63.8 | 136.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | S | 37.5 | Very low | 41.3 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -178.1 | 113.3 | 138.3 | -77.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 18 | G | 34.4 | Very low | 40.2 | Very low | 65 Ų | 65 | 150.9 Ų | 150.9 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | 96.7 | 98.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 19 | E | 35.4 | Very low | 39.7 | Very low | 196 Ų | 196 | 151.4 Ų | 151.4 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 56 | 88.3 | 133.2 | -70.9 | 170 | 85.5 | 0 | 0 | 119.5 | ||||
| 20 | K | 38.8 | Very low | 39.3 | Very low | 209 Ų | 209 | 151.6 Ų | 151.6 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -138.2 | 90.9 | 148.4 | -73.8 | -170.5 | 179.2 | 179.7 | 0 | 110.8 | ||||
| 21 | K | 40.2 | Very low | 38.8 | Very low | 200 Ų | 200 | 149.1 Ų | 149.1 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -157 | 93.8 | 153.5 | -124.5 | 176.8 | -177.5 | -178.3 | 0 | 112.1 | ||||
| 22 | S | 31.6 | Very low | 39 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 40.7 | 109.5 | 134.3 | -52.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 23 | A | 38.5 | Very low | 38.9 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -159.6 | 100.6 | 133.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 24 | K | 35 | Very low | 38.3 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 87% | 0.87 | 82% | 0.823 | S | S | * | * | 50.2 | 83.1 | 93.1 | -146.2 | -175.1 | -171.7 | -167.1 | 0 | 111.4 | |||||
| 25 | A | 41.2 | Very low | 38.4 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -119.9 | 106.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 26 | E | 39 | Very low | 38 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -54.3 | 128.2 | 164.8 | -71 | 157.9 | 106.6 | 0 | 0 | 109.9 | ||||
| 27 | K | 42.1 | Very low | 38.1 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -149.5 | 97.7 | 146.1 | -105.8 | -176.8 | -178.4 | -172.8 | 0 | 107.6 | E29 | K27-E29 PolarHBondContact O-N 3.17Š| ||
| 28 | E | 35 | Very low | 38.1 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -57.2 | 124.7 | 152.2 | -76.1 | 177.3 | 93.7 | 0 | 0 | 108.6 | ||||
| 29 | E | 41.9 | Very low | 38.2 | Very low | 168 Ų | 168 | 160.1 Ų | 160.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -148.1 | 109.6 | 139.4 | -161.9 | 170.3 | 121.3 | 0 | 0 | 108.4 | K27 T31 | K27-E29 PolarHBondContact O-N 3.17Å; E29-T31 PolarHBondContact O-N 3.24Å | ||
| 30 | K | 42.2 | Very low | 38.2 | Very low | 198 Ų | 198 | 158 Ų | 158 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -64.9 | 106.1 | 166.8 | -73.3 | 171.3 | 176.1 | 172.7 | 0 | 107.9 | ||||
| 31 | T | 36.7 | Very low | 37.9 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | trans | -103.4 | 98.9 | 156.8 | 32.7 | 0 | 0 | 0 | 0 | 109.1 | E29 I33 | E29-T31 PolarHBondContact O-N 3.24Å; T31-I33 PolarHBondContact O-N 2.93Å | ||
| 32 | D | 38.3 | Very low | 37.9 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -52.1 | 108.4 | 156.3 | -177.7 | -92.8 | 0 | 0 | 0 | 109.3 | ||||
| 33 | I | 44.1 | Very low | 37.8 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | -141.7 | 74.9 | 154.9 | -36 | 173.6 | 0 | 0 | 0 | 107.9 | T31 A35 | T31-I33 PolarHBondContact O-N 2.93Å; I33-A35 HydrophobicContact CG2-CB 3.71Å; I33-A35 PolarHBondContact O-N 2.93Å | ||
| 34 | R | 32.6 | Very low | 37.5 | Very low | 241 Ų | 241 | 160.7 Ų | 160.7 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 65.7 | 157.8 | -169.7 | 177.5 | -177.8 | -178.9 | 0.4 | 108 | ||||
| 35 | A | 38.5 | Very low | 37.9 | Very low | 81 Ų | 81 | 157.2 Ų | 157.2 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 122.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I33 | I33-A35 HydrophobicContact CG2-CB 3.71Å; I33-A35 PolarHBondContact O-N 2.93Å | ||
| 36 | K | 36.1 | Very low | 37.6 | Very low | 184 Ų | 184 | 159 Ų | 159 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -46.2 | 147.2 | 179.9 | -66.6 | 167.9 | 174.5 | 177.3 | 0 | 112.4 | V38 | K36-V38 PolarHBondContact O-N 2.76Š| ||
| 37 | P | 42 | Very low | 37.3 | Very low | 129 Ų | 129 | 154 Ų | 154 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -59.5 | 109.2 | 166.5 | 26.7 | -31.7 | 0 | 0 | 0 | 107.7 | L39 | P37-L39 PolarHBondContact O-N 3.12Å; P37-L39 VanDerWaalsContact O-N 3.12Å | ||
| 38 | V | 35.7 | Very low | 36.9 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -64.2 | 112.2 | 165.1 | 176.2 | 0 | 0 | 0 | 0 | 105 | K36 Q40 | K36-V38 PolarHBondContact O-N 2.76Å; V38-Q40 HydrophobicContact CG1-CG 4.07Å; V38-Q40 PolarHBondContact O-N 3.38Å | ||
| 39 | L | 38.4 | Very low | 37.2 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -54.2 | 85.6 | 157.3 | -89.5 | 153.8 | 0 | 0 | 0 | 106.7 | P37 E41 | P37-L39 PolarHBondContact O-N 3.12Å; P37-L39 VanDerWaalsContact O-N 3.12Å; L39-E41 VanDerWaalsContact C-N 3.25Å; L39-E41 PolarHBondContact O-N 2.83Å | ||
| 40 | Q | 34.7 | Very low | 36.9 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -73.6 | 95.5 | 162 | -85.1 | -168.3 | -5.5 | 0 | 0 | 106 | V38 N42 | V38-Q40 HydrophobicContact CG1-CG 4.07Å; V38-Q40 PolarHBondContact O-N 3.38Å; Q40-N42 PolarHBondContact O-N 3.05Å; Q40-N42 PolarHBondContact OE1-ND2 2.82Å | ||
| 41 | E | 33.2 | Very low | 36.6 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -42 | 88.4 | 145.2 | -84.6 | 175.4 | 64.9 | 0 | 0 | 109.1 | L39 | L39-E41 VanDerWaalsContact C-N 3.25Å; L39-E41 PolarHBondContact O-N 2.83Å | ||
| 42 | N | 38.6 | Very low | 36.4 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | -100.3 | 93.2 | 157.7 | -81.6 | -62.4 | 0 | 0 | 0 | 106.4 | Q40 | Q40-N42 PolarHBondContact O-N 3.05Å; Q40-N42 PolarHBondContact OE1-ND2 2.82Å | ||
| 43 | K | 31.3 | Very low | 36.2 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | 10.2 | 124.7 | 152.8 | -63 | -173.9 | 177.4 | -174.4 | 0 | 115.4 | ||||
| 44 | E | 31.6 | Very low | 35.9 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -21.7 | 119.1 | 155.5 | -83.5 | 171.3 | 70.1 | 0 | 0 | 112 | T46 | E44-T46 PolarHBondContact O-N 2.93Š| ||
| 45 | P | 43 | Very low | 35.9 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -65.9 | 94 | 160.4 | 26.5 | -29.7 | 0 | 0 | 0 | 106.8 | G47 | P45-G47 PolarHBondContact O-N 3.45Š| ||
| 46 | T | 35.8 | Very low | 35.9 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | -49.2 | 107.7 | 167.1 | -48.2 | 0 | 0 | 0 | 0 | 108.3 | E44 A48 | E44-T46 PolarHBondContact O-N 2.93Å; T46-A48 PolarHBondContact O-N 2.97Å | ||
| 47 | G | 30.9 | Very low | 36.2 | Very low | 67 Ų | 67 | 123.2 Ų | 123.2 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | 49.1 | 69.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P45 | P45-G47 PolarHBondContact O-N 3.45Š| ||
| 48 | A | 33.7 | Very low | 36.4 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -90.4 | 51.6 | 139.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T46 N50 | T46-A48 PolarHBondContact O-N 2.97Å; A48-N50 PolarHBondContact O-N 3.29Å | ||
| 49 | A | 41.5 | Very low | 36.4 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 85.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||
| 50 | N | 35.8 | Very low | 36.4 | Very low | 164 Ų | 164 | 115.5 Ų | 115.5 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.3 | 38.3 | 158.6 | -84.3 | -32.6 | 0 | 0 | 0 | 111.1 | A48 G52 | A48-N50 PolarHBondContact O-N 3.29Å; N50-G52 PolarHBondContact O-N 3.5Å |
| 51 | V | 37.3 | Very low | 37.1 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 79% | 0.788 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -74.6 | 103.4 | 153.7 | -173.8 | 0 | 0 | 0 | 0 | 104.6 | V53 | V51-V53 PolarHBondContact O-N 3.22Š|
| 52 | G | 30.9 | Very low | 37.8 | Very low | 53 Ų | 53 | 107.4 Ų | 107.4 | 55% | 0.546 | 67% | 0.67 | S | S | . | * | trans | -46.4 | 136.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N50 V54 | N50-G52 PolarHBondContact O-N 3.5Å; G52-V54 PolarHBondContact O-N 3.15Å | ||
| 53 | V | 35.3 | Very low | 38.2 | Very low | 140 Ų | 140 | 104.6 Ų | 104.6 | 85% | 0.848 | 66% | 0.655 | S | S | * | * | trans | -53.1 | 104.6 | 167.9 | 178 | 0 | 0 | 0 | 0 | 106.8 | V51 D55 | V51-V53 PolarHBondContact O-N 3.22Å; V53-D55 VanDerWaalsContact C-N 3.3Å; V53-D55 PolarHBondContact O-N 3.43Å | ||
| 54 | V | 37.3 | Very low | 39.1 | Very low | 83 Ų | 83 | 99.1 Ų | 99.1 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | trans | -71.3 | 98.6 | 166.3 | -163.3 | 0 | 0 | 0 | 0 | 104.6 | G52 L56 | G52-V54 PolarHBondContact O-N 3.15Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 HydrophobicContact CB-CG 4.49Å; V54-L56 HydrophobicContact CG1-CD1 4.27Å; V54-L56 HydrophobicContact CG1-CD2 4.13Å; V54-L56 HydrophobicContact CG1-CG 3.88Å; V54-L56 PolarHBondContact O-N 3.18Å | ||
| 55 | D | 32 | Very low | 40 | Very low | 122 Ų | 122 | 96.6 Ų | 96.6 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | trans | -68.6 | 88.7 | 173.8 | -173.4 | 51.3 | 0 | 0 | 0 | 108.6 | V53 S57 | V53-D55 VanDerWaalsContact C-N 3.3Å; V53-D55 PolarHBondContact O-N 3.43Å; D55-S57 VanDerWaalsContact C-N 3.26Å; D55-S57 PolarHBondContact O-N 3Å; D55-S57 WeakPolarHBondContact OD1-CB 3.47Å; D55-S57 PolarHBondContact OD1-OG 3.14Å; D55-S57 PolarHBondContact OD2-OG 3.22Å | ||
| 56 | L | 39.8 | Very low | 40.1 | Very low | 69 Ų | 69 | 96.3 Ų | 96.3 | 36% | 0.361 | 61% | 0.605 | S | S | . | * | trans | -97.3 | 51.4 | 171.1 | -63.7 | 170 | 0 | 0 | 0 | 109.1 | V54 N58 G59 | V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 HydrophobicContact CB-CG 4.49Å; V54-L56 HydrophobicContact CG1-CD1 4.27Å; V54-L56 HydrophobicContact CG1-CD2 4.13Å; V54-L56 HydrophobicContact CG1-CG 3.88Å; V54-L56 PolarHBondContact O-N 3.18Å; L56-N58 PolarHBondContact O-N 2.95Å; L56-G59 PolarHBondContact O-N 2.96Å | ||
| 57 | S | 41.6 | Very low | 40.6 | Very low | 75 Ų | 75 | 90.4 Ų | 90.4 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | 67.7 | -177.3 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | D55 | D55-S57 VanDerWaalsContact C-N 3.26Å; D55-S57 PolarHBondContact O-N 3Å; D55-S57 WeakPolarHBondContact OD1-CB 3.47Å; D55-S57 PolarHBondContact OD1-OG 3.14Å; D55-S57 PolarHBondContact OD2-OG 3.22Å |
| 58 | N | 45.6 | Very low | 41.5 | Very low | 172 Ų | 172 | 92 Ų | 92 | 92% | 0.92 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.3 | 7.7 | 133.5 | -100.5 | 17 | 0 | 0 | 0 | 115 | L56 | L56-N58 PolarHBondContact O-N 2.95Š|
| 59 | G | 35.7 | Very low | 42.2 | Very low | 66 Ų | 66 | 94.8 Ų | 94.8 | 68% | 0.68 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.3 | -3.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | L56 | L56-G59 PolarHBondContact O-N 2.96Š|
| 60 | G | 38.3 | Very low | 42.1 | Very low | 17 Ų | 17 | 93.9 Ų | 93.9 | 18% | 0.175 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -18.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.6 | V62 L63 F64 | G60-V62 PolarHBondContact O-N 3.49Å; G60-L63 PolarHBondContact O-N 2.91Å; G60-F64 PolarHBondContact O-N 3.25Å |
| 61 | S | 49.5 | Very low | 42.2 | Very low | 72 Ų | 72 | 89.3 Ų | 89.3 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | -166.9 | -48 | 0 | 0 | 0 | 0 | 114 | L63 F64 E65 | S61-L63 PolarHBondContact O-N 3.17Å; S61-F64 PolarHBondContact O-N 3.27Å; S61-E65 PolarHBondContact O-N 3.16Å |
| 62 | V | 48.7 | Very low | 42.7 | Very low | 94 Ų | 94 | 87 Ų | 87 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.4 | -37.1 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | G60 F64 K66 | G60-V62 PolarHBondContact O-N 3.49Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-K66 WeakPolarHBondContact O-CB 3.32Å; V62-K66 WeakPolarHBondContact O-CG 3.41Å; V62-K66 PolarHBondContact O-N 2.51Å |
| 63 | L | 47.7 | Very low | 43.4 | Very low | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.366 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 175.1 | -72 | 175 | 0 | 0 | 0 | 110.8 | G60 S61 K66 L67 | G60-L63 PolarHBondContact O-N 2.91Å; S61-L63 PolarHBondContact O-N 3.17Å; L63-K66 PolarHBondContact O-N 3.23Å; L63-L67 VanDerWaalsContact O-CB 3.31Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 PolarHBondContact O-N 2.75Å |
| 64 | F | 49 | Very low | 44 | Very low | 78 Ų | 78 | 85.7 Ų | 85.7 | 34% | 0.342 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 176.3 | -172.5 | -111.9 | 0 | 0 | 0 | 112.7 | G60 S61 V62 L67 Q68 T95 | G60-F64 PolarHBondContact O-N 3.25Å; S61-F64 PolarHBondContact O-N 3.27Å; V62-F64 VanDerWaalsContact C-N 3.34Å; F64-L67 CarbonylContact O-C 3.58Å; F64-L67 WeakPolarHBondContact O-CB 3.49Å; F64-L67 PolarHBondContact O-N 3.17Å; F64-Q68 HydrophobicContact CD1-CG 4.5Å; F64-Q68 HydrophobicContact CE1-CG 4.3Å; F64-Q68 HydrophobicContact CZ-CG 4.45Å; F64-Q68 WeakPolarHBondContact O-CG 3.44Å; F64-Q68 PolarHBondContact O-N 3.06Å; F64-T95 HydrophobicContact CD2-CG2 4.47Å |
| 65 | E | 50.2 | Low | 44.8 | Very low | 121 Ų | 121 | 88.7 Ų | 88.7 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 174.1 | -75 | -177.1 | 164.5 | 0 | 0 | 112.2 | S61 L67 Q68 Q69 | S61-E65 PolarHBondContact O-N 3.16Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.1Å; E65-Q68 PolarHBondContact O-N 3.29Å; E65-Q69 PolarHBondContact O-N 2.84Å |
| 66 | K | 46.6 | Very low | 46.4 | Very low | 122 Ų | 122 | 83.1 Ų | 83.1 | 53% | 0.53 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 172.1 | -77.5 | -177.6 | 179 | -176.8 | 0 | 111.2 | V62 L63 Q69 I70 | V62-K66 WeakPolarHBondContact O-CB 3.32Å; V62-K66 WeakPolarHBondContact O-CG 3.41Å; V62-K66 PolarHBondContact O-N 2.51Å; L63-K66 PolarHBondContact O-N 3.23Å; K66-Q69 PolarHBondContact O-N 2.93Å; K66-I70 WeakPolarHBondContact O-CD1 3.04Å; K66-I70 WeakPolarHBondContact O-CG1 3.44Å; K66-I70 PolarHBondContact O-N 2.88Å |
| 67 | L | 46.5 | Very low | 47.6 | Very low | 10 Ų | 10 | 80.6 Ų | 80.6 | 5% | 0.052 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.6 | -165.6 | 75.9 | 0 | 0 | 0 | 110 | L63 F64 E65 Q69 I70 T71 Q80 M92 T95 | L63-L67 VanDerWaalsContact O-CB 3.31Å; L63-L67 WeakPolarHBondContact O-CB 3.41Å; L63-L67 PolarHBondContact O-N 2.75Å; F64-L67 CarbonylContact O-C 3.58Å; F64-L67 WeakPolarHBondContact O-CB 3.49Å; F64-L67 PolarHBondContact O-N 3.17Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.1Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.47Å; L67-I70 CarbonylContact O-C 3.49Å; L67-I70 WeakPolarHBondContact O-CA 3.49Å; L67-I70 PolarHBondContact O-N 3.45Å; L67-T71 HydrophobicContact CG-CG2 4.31Å; L67-T71 WeakPolarHBondContact O-CG2 3.05Å; L67-T71 PolarHBondContact O-N 2.93Å; L67-Q80 HydrophobicContact CD1-CB 4.3Å; L67-M92 HydrophobicContact CD1-CE 4.27Å; L67-M92 HydrophobicContact CD1-CG 4.08Å; L67-M92 HydrophobicContact CD1-SD 3.48Å; L67-M92 WeakPolarHBondContact CD1-SD 3.41Å; L67-T95 HydrophobicContact CD2-CG2 3.81Å |
| 68 | Q | 49.2 | Very low | 48.7 | Very low | 102 Ų | 102 | 77.2 Ų | 77.2 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 175.6 | -73.7 | -170.3 | 12.7 | 0 | 0 | 112.4 | F64 E65 I70 T71 A72 | F64-Q68 HydrophobicContact CD1-CG 4.5Å; F64-Q68 HydrophobicContact CE1-CG 4.3Å; F64-Q68 HydrophobicContact CZ-CG 4.45Å; F64-Q68 WeakPolarHBondContact O-CG 3.44Å; F64-Q68 PolarHBondContact O-N 3.06Å; E65-Q68 PolarHBondContact O-N 3.29Å; Q68-I70 VanDerWaalsContact C-N 3.3Å; Q68-I70 PolarHBondContact O-N 3.43Å; Q68-T71 VanDerWaalsContact C-OG1 3.28Å; Q68-T71 WeakPolarHBondContact CA-OG1 3.49Å; Q68-T71 PolarHBondContact O-N 3.42Å; Q68-T71 VanDerWaalsContact O-N 3.12Å; Q68-T71 PolarHBondContact O-OG1 2.8Å; Q68-A72 PolarHBondContact O-N 3.06Å |
| 69 | Q | 47.2 | Very low | 49.8 | Very low | 145 Ų | 145 | 72.6 Ų | 72.6 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63 | -36.5 | 174.9 | -74.6 | -178 | 4.4 | 0 | 0 | 112.5 | E65 K66 L67 | E65-Q69 PolarHBondContact O-N 2.84Å; K66-Q69 PolarHBondContact O-N 2.93Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.47Å |
| 70 | I | 39.7 | Very low | 51.3 | Low | 66 Ų | 66 | 69.6 Ų | 69.6 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.5 | -37.5 | 172.8 | -61.3 | 163.9 | 0 | 0 | 0 | 110.2 | K66 L67 Q68 A72 N73 V74 Q80 | K66-I70 WeakPolarHBondContact O-CD1 3.04Å; K66-I70 WeakPolarHBondContact O-CG1 3.44Å; K66-I70 PolarHBondContact O-N 2.88Å; L67-I70 CarbonylContact O-C 3.49Å; L67-I70 WeakPolarHBondContact O-CA 3.49Å; L67-I70 PolarHBondContact O-N 3.45Å; Q68-I70 VanDerWaalsContact C-N 3.3Å; Q68-I70 PolarHBondContact O-N 3.43Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 3.03Å; I70-N73 PolarHBondContact O-N 3.26Å; I70-V74 HydrophobicContact CG2-CB 4.04Å; I70-V74 HydrophobicContact CG2-CG2 3.63Å; I70-V74 WeakPolarHBondContact O-CB 3.43Å; I70-V74 PolarHBondContact O-N 2.98Å; I70-Q80 HydrophobicContact CB-CG 4.5Å; I70-Q80 HydrophobicContact CG2-CB 4.06Å; I70-Q80 HydrophobicContact CG2-CG 3.5Å; I70-Q80 VanDerWaalsContact CG2-CG 3.5Å |
| 71 | T | 39.3 | Very low | 52.8 | Low | 68 Ų | 68 | 68.8 Ų | 68.8 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -28.6 | 179.2 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | L67 Q68 N73 | L67-T71 HydrophobicContact CG-CG2 4.31Å; L67-T71 WeakPolarHBondContact O-CG2 3.05Å; L67-T71 PolarHBondContact O-N 2.93Å; Q68-T71 VanDerWaalsContact C-OG1 3.28Å; Q68-T71 WeakPolarHBondContact CA-OG1 3.49Å; Q68-T71 PolarHBondContact O-N 3.42Å; Q68-T71 VanDerWaalsContact O-N 3.12Å; Q68-T71 PolarHBondContact O-OG1 2.8Å; T71-N73 PolarHBondContact O-N 3.31Å |
| 72 | A | 46.8 | Very low | 53.7 | Low | 82 Ų | 82 | 67 Ų | 67 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -28.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q68 I70 | Q68-A72 PolarHBondContact O-N 3.06Å; I70-A72 VanDerWaalsContact C-N 3.28Å; I70-A72 PolarHBondContact O-N 3.03Å |
| 73 | N | 46.7 | Very low | 54.8 | Low | 145 Ų | 145 | 69 Ų | 69 | 78% | 0.775 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -18.7 | -176.4 | -70.3 | -24.4 | 0 | 0 | 0 | 114.3 | I70 T71 | I70-N73 PolarHBondContact O-N 3.26Å; T71-N73 PolarHBondContact O-N 3.31Å |
| 74 | V | 46.2 | Very low | 55.9 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | trans | -116.4 | 99.8 | -178.4 | -174 | 0 | 0 | 0 | 0 | 108.3 | I70 D76 Q79 Q80 | I70-V74 HydrophobicContact CG2-CB 4.04Å; I70-V74 HydrophobicContact CG2-CG2 3.63Å; I70-V74 WeakPolarHBondContact O-CB 3.43Å; I70-V74 PolarHBondContact O-N 2.98Å; V74-D76 WeakPolarHBondContact CG1-O 3.42Å; V74-D76 PolarHBondContact O-N 3.06Å; V74-Q79 HydrophobicContact CG1-CB 3.61Å; V74-Q79 HydrophobicContact CG1-CG 3.74Å; V74-Q80 HydrophobicContact CB-CG 3.72Å; V74-Q80 HydrophobicContact CG1-CG 3.57Å; V74-Q80 HydrophobicContact CG2-CG 4.41Å; V74-Q80 PolarHBondContact O-NE2 3.32Å | ||
| 75 | T | 55.5 | Low | 57.1 | Low | 147 Ų | 147 | 66.2 Ų | 66.2 | 90% | 0.902 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -63.7 | -9.1 | -176.9 | -38.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 76 | D | 64.3 | Low | 58.5 | Low | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | trans | -122.8 | 114.6 | -178.2 | -169.7 | -26.6 | 0 | 0 | 0 | 112.5 | V74 V78 Q79 Q80 L111 S114 L118 | V74-D76 WeakPolarHBondContact CG1-O 3.42Å; V74-D76 PolarHBondContact O-N 3.06Å; D76-V78 PolarHBondContact O-N 2.64Å; D76-V78 WeakPolarHBondContact OD1-CA 3.38Å; D76-V78 VanDerWaalsContact OD1-CB 3.24Å; D76-V78 WeakPolarHBondContact OD1-CB 3.2Å; D76-V78 PolarHBondContact OD1-N 3.44Å; D76-Q79 HydrophobicContact CB-CB 4.03Å; D76-Q79 WeakPolarHBondContact O-CB 3.37Å; D76-Q79 PolarHBondContact O-N 3.18Å; D76-Q80 WeakPolarHBondContact O-CG 3.11Å; D76-Q80 PolarHBondContact O-N 3.16Å; D76-L111 WeakPolarHBondContact OD1-CD1 3.09Å; D76-S114 WeakPolarHBondContact OD2-CB 3.3Å; D76-S114 PolarHBondContact OD2-OG 3.46Å; D76-L118 HydrophobicContact CB-CD1 4.15Å; D76-L118 WeakPolarHBondContact OD2-CD1 3.37Å | ||
| 77 | P | 64.5 | Low | 59.9 | Low | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.104 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -25.8 | 176.8 | 26.6 | -35.5 | 0 | 0 | 0 | 113.8 | Q80 L81 V96 M103 L111 | P77-Q80 WeakPolarHBondContact O-CB 3.49Å; P77-Q80 PolarHBondContact O-N 2.97Å; P77-L81 PolarHBondContact O-N 3.41Å; P77-L81 VanDerWaalsContact O-N 3.13Å; P77-V96 HydrophobicContact CB-CG1 4.26Å; P77-M103 HydrophobicContact CG-CE 3.79Å; P77-L111 HydrophobicContact CG-CD1 3.94Å |
| 78 | V | 66.3 | Low | 61.3 | Low | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.6 | -37.6 | 174.9 | 178 | 0 | 0 | 0 | 0 | 110.7 | D76 Q80 L81 L82 I100 L111 L118 I135 | D76-V78 PolarHBondContact O-N 2.64Å; D76-V78 WeakPolarHBondContact OD1-CA 3.38Å; D76-V78 VanDerWaalsContact OD1-CB 3.24Å; D76-V78 WeakPolarHBondContact OD1-CB 3.2Å; D76-V78 PolarHBondContact OD1-N 3.44Å; V78-Q80 VanDerWaalsContact C-N 3.28Å; V78-Q80 PolarHBondContact O-N 3.3Å; V78-L81 PolarHBondContact O-N 2.7Å; V78-L82 HydrophobicContact CG1-CD1 4.39Å; V78-L82 WeakPolarHBondContact O-CG 3.44Å; V78-L82 PolarHBondContact O-N 2.68Å; V78-I100 HydrophobicContact CG2-CD1 4.08Å; V78-L111 HydrophobicContact CG2-CD1 4.02Å; V78-L111 HydrophobicContact CG2-CD2 4.2Å; V78-L111 HydrophobicContact CG2-CG 4.28Å; V78-L118 HydrophobicContact CB-CD1 4.09Å; V78-L118 HydrophobicContact CG1-CD1 4.14Å; V78-I135 HydrophobicContact CG1-CD1 4.37Å; V78-I135 HydrophobicContact CG2-CG2 4.07Å |
| 79 | Q | 68.5 | Low | 62.8 | Low | 75 Ų | 75 | 62.9 Ų | 62.9 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 174.4 | -174.8 | 174.3 | -5.5 | 0 | 0 | 111.1 | V74 D76 L81 L82 M83 L118 | V74-Q79 HydrophobicContact CG1-CB 3.61Å; V74-Q79 HydrophobicContact CG1-CG 3.74Å; D76-Q79 HydrophobicContact CB-CB 4.03Å; D76-Q79 WeakPolarHBondContact O-CB 3.37Å; D76-Q79 PolarHBondContact O-N 3.18Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 3.32Å; Q79-L82 PolarHBondContact O-N 3.38Å; Q79-M83 HydrophobicContact CG-SD 4.48Å; Q79-M83 WeakPolarHBondContact O-CG 3.44Å; Q79-M83 PolarHBondContact O-N 3.2Å; Q79-L118 HydrophobicContact CB-CD1 3.69Å; Q79-L118 HydrophobicContact CB-CD2 3.69Å; Q79-L118 HydrophobicContact CB-CG 4.34Å; Q79-L118 HydrophobicContact CG-CD2 3.7Å |
| 80 | Q | 67.2 | Low | 64.4 | Low | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.019 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 176.9 | -55.3 | -175.5 | 17.2 | 0 | 0 | 110.7 | L67 I70 V74 D76 P77 V78 L82 M83 V84 | L67-Q80 HydrophobicContact CD1-CB 4.3Å; I70-Q80 HydrophobicContact CB-CG 4.5Å; I70-Q80 HydrophobicContact CG2-CB 4.06Å; I70-Q80 HydrophobicContact CG2-CG 3.5Å; I70-Q80 VanDerWaalsContact CG2-CG 3.5Å; V74-Q80 HydrophobicContact CB-CG 3.72Å; V74-Q80 HydrophobicContact CG1-CG 3.57Å; V74-Q80 HydrophobicContact CG2-CG 4.41Å; V74-Q80 PolarHBondContact O-NE2 3.32Å; D76-Q80 WeakPolarHBondContact O-CG 3.11Å; D76-Q80 PolarHBondContact O-N 3.16Å; P77-Q80 WeakPolarHBondContact O-CB 3.49Å; P77-Q80 PolarHBondContact O-N 2.97Å; V78-Q80 VanDerWaalsContact C-N 3.28Å; V78-Q80 PolarHBondContact O-N 3.3Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.43Å; Q80-M83 PolarHBondContact O-N 3.43Å; Q80-M83 VanDerWaalsContact O-N 3.07Å; Q80-V84 WeakPolarHBondContact O-CG2 3.47Å; Q80-V84 PolarHBondContact O-N 3.29Å |
| 81 | L | 70.1 | Confident | 66.2 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -33.5 | 179.6 | -167.4 | 46.2 | 0 | 0 | 0 | 113.1 | P77 V78 Q79 M83 V84 F89 M92 K93 V96 I135 | P77-L81 PolarHBondContact O-N 3.41Å; P77-L81 VanDerWaalsContact O-N 3.13Å; V78-L81 PolarHBondContact O-N 2.7Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 3.32Å; L81-M83 VanDerWaalsContact C-N 3.28Å; L81-M83 PolarHBondContact O-N 3.41Å; L81-V84 HydrophobicContact CD1-CG2 3.98Å; L81-V84 WeakPolarHBondContact O-CG2 3.24Å; L81-V84 PolarHBondContact O-N 3.46Å; L81-F89 HydrophobicContact CD1-CD2 3.6Å; L81-F89 HydrophobicContact CD1-CE2 3.71Å; L81-F89 HydrophobicContact CD1-CG 4.49Å; L81-F89 HydrophobicContact CD2-CE2 4.29Å; L81-F89 HydrophobicContact CG-CD2 4.06Å; L81-F89 HydrophobicContact CG-CE2 3.66Å; L81-M92 HydrophobicContact CD1-CB 3.71Å; L81-M92 HydrophobicContact CD1-CG 3.91Å; L81-M92 HydrophobicContact CD1-SD 4.43Å; L81-K93 HydrophobicContact CD2-CB 4.19Å; L81-K93 HydrophobicContact CD2-CG 4.49Å; L81-V96 HydrophobicContact CB-CG1 4.5Å; L81-V96 HydrophobicContact CB-CG2 4.18Å; L81-V96 HydrophobicContact CD2-CB 3.74Å; L81-V96 HydrophobicContact CD2-CG1 3.83Å; L81-V96 HydrophobicContact CD2-CG2 4.03Å; L81-I135 HydrophobicContact CB-CD1 3.83Å; L81-I135 HydrophobicContact CD2-CB 4.44Å; L81-I135 HydrophobicContact CD2-CD1 3.21Å; L81-I135 HydrophobicContact CD2-CG1 3.29Å; L81-I135 HydrophobicContact CD2-CG2 4.31Å; L81-I135 HydrophobicContact CG-CD1 3.49Å; L81-I135 VanDerWaalsContact CG-CD1 3.49Å; L81-I135 HydrophobicContact CG-CG1 4.09Å |
| 82 | L | 68.4 | Low | 68 | Low | 35 Ų | 35 | 58.3 Ų | 58.3 | 18% | 0.183 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66 | -30 | 173.5 | -72.5 | 170.6 | 0 | 0 | 0 | 112.9 | V78 Q79 Q80 L118 A122 G128 R131 A132 | V78-L82 HydrophobicContact CG1-CD1 4.39Å; V78-L82 WeakPolarHBondContact O-CG 3.44Å; V78-L82 PolarHBondContact O-N 2.68Å; Q79-L82 PolarHBondContact O-N 3.38Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.43Å; L82-L118 HydrophobicContact CD1-CB 4.12Å; L82-A122 HydrophobicContact CD1-CB 3.81Å; L82-A122 HydrophobicContact CD2-CB 3.84Å; L82-A122 HydrophobicContact CG-CB 4.49Å; L82-G128 WeakPolarHBondContact CD2-O 3.4Å; L82-R131 HydrophobicContact CD2-CB 4.15Å; L82-R131 PolarHBondContact O-NH1 3.27Å; L82-A132 HydrophobicContact CD2-CB 4.26Å |
| 83 | M | 71.7 | Confident | 69.6 | Low | 134 Ų | 134 | 55.7 Ų | 55.7 | 66% | 0.66 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85.6 | -8.6 | -179.8 | -66.9 | -177.3 | 68 | 0 | 0 | 114.1 | Q79 Q80 L81 | Q79-M83 HydrophobicContact CG-SD 4.48Å; Q79-M83 WeakPolarHBondContact O-CG 3.44Å; Q79-M83 PolarHBondContact O-N 3.2Å; Q80-M83 PolarHBondContact O-N 3.43Å; Q80-M83 VanDerWaalsContact O-N 3.07Å; L81-M83 VanDerWaalsContact C-N 3.28Å; L81-M83 PolarHBondContact O-N 3.41Å |
| 84 | V | 70.4 | Confident | 71.2 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -70.8 | 137.8 | -177.5 | -164.3 | 0 | 0 | 0 | 0 | 110.6 | Q80 L81 G88 M92 R131 | Q80-V84 WeakPolarHBondContact O-CG2 3.47Å; Q80-V84 PolarHBondContact O-N 3.29Å; L81-V84 HydrophobicContact CD1-CG2 3.98Å; L81-V84 WeakPolarHBondContact O-CG2 3.24Å; L81-V84 PolarHBondContact O-N 3.46Å; V84-G88 VanDerWaalsContact CG1-C 3.47Å; V84-M92 HydrophobicContact CB-CE 4.37Å; V84-M92 HydrophobicContact CB-SD 4.41Å; V84-M92 HydrophobicContact CG1-CE 3.83Å; V84-M92 HydrophobicContact CG1-SD 4.43Å; V84-M92 HydrophobicContact CG2-CB 4.23Å; V84-M92 HydrophobicContact CG2-CE 3.5Å; V84-M92 HydrophobicContact CG2-CG 4.17Å; V84-M92 HydrophobicContact CG2-SD 3.11Å; V84-M92 WeakPolarHBondContact CG2-SD 3.24Å; V84-R131 PolarHBondContact O-NH1 3.21Å; V84-R131 PolarHBondContact O-NH2 3.04Å |
| 85 | P | 74 | Confident | 72.8 | Confident | 78 Ų | 78 | 54 Ų | 54 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | trans | -53.7 | 159.5 | 165.1 | -24.6 | 34.7 | 0 | 0 | 0 | 112.6 | E87 G88 F89 | P85-E87 WeakPolarHBondContact CB-OE2 3.1Å; P85-E87 PolarHBondContact O-N 3.19Å; P85-G88 PolarHBondContact O-N 2.76Å; P85-F89 PolarHBondContact O-N 3.13Å | ||
| 86 | D | 79 | Confident | 73.8 | Confident | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -34.1 | -178.5 | -74.8 | -38.8 | 0 | 0 | 0 | 111.7 | G88 F89 R127 R131 | D86-G88 PolarHBondContact O-N 3.47Å; D86-F89 PolarHBondContact O-N 3.28Å; D86-R127 VanDerWaalsContact CG-CZ 3.5Å; D86-R127 IonicContact OD1-CZ 3.16Å; D86-R127 IonicContact OD1-NE 2.9Å; D86-R127 PolarHBondContact OD1-NE 3.15Å; D86-R127 IonicContact OD1-NH2 3Å; D86-R127 PolarHBondContact OD1-NH2 3.48Å; D86-R127 IonicContact OD2-CZ 3.23Å; D86-R127 VanDerWaalsContact OD2-CZ 3.23Å; D86-R127 IonicContact OD2-NE 3.4Å; D86-R127 PolarHBondContact OD2-NE 3.12Å; D86-R127 IonicContact OD2-NH1 3.97Å; D86-R127 IonicContact OD2-NH2 2.87Å; D86-R127 PolarHBondContact OD2-NH2 2.96Å; D86-R131 IonicContact OD1-CZ 3.46Å; D86-R131 IonicContact OD1-NE 3.76Å; D86-R131 IonicContact OD1-NH2 2.61Å; D86-R131 PolarHBondContact OD1-NH2 3.06Å |
| 87 | E | 77.3 | Confident | 74.6 | Confident | 170 Ų | 170 | 46.8 Ų | 46.8 | 79% | 0.794 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.9 | -26.1 | -177.3 | -56.3 | 77.3 | -169.3 | 0 | 0 | 112.8 | P85 | P85-E87 WeakPolarHBondContact CB-OE2 3.1Å; P85-E87 PolarHBondContact O-N 3.19Å |
| 88 | G | 75.9 | Confident | 75.3 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -107.4 | -1.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V84 P85 D86 S91 M92 | V84-G88 VanDerWaalsContact CG1-C 3.47Å; P85-G88 PolarHBondContact O-N 2.76Å; D86-G88 PolarHBondContact O-N 3.47Å; G88-S91 PolarHBondContact O-OG 2.7Å; G88-S91 VanDerWaalsContact O-OG 3.06Å; G88-M92 VanDerWaalsContact O-CB 3.27Å; G88-M92 WeakPolarHBondContact O-CB 3.12Å; G88-M92 PolarHBondContact O-N 3.12Å |
| 89 | F | 79.3 | Confident | 75.8 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -48.4 | -172.3 | 178.9 | -100.5 | 0 | 0 | 0 | 111.8 | L81 P85 D86 S91 M92 K93 R131 I135 | L81-F89 HydrophobicContact CD1-CD2 3.6Å; L81-F89 HydrophobicContact CD1-CE2 3.71Å; L81-F89 HydrophobicContact CD1-CG 4.49Å; L81-F89 HydrophobicContact CD2-CE2 4.29Å; L81-F89 HydrophobicContact CG-CD2 4.06Å; L81-F89 HydrophobicContact CG-CE2 3.66Å; P85-F89 PolarHBondContact O-N 3.13Å; D86-F89 PolarHBondContact O-N 3.28Å; F89-S91 PolarHBondContact O-N 2.92Å; F89-M92 PolarHBondContact O-N 3.18Å; F89-K93 HydrophobicContact CE1-CB 4.47Å; F89-K93 HydrophobicContact CE1-CD 3.84Å; F89-K93 HydrophobicContact CZ-CD 4.13Å; F89-K93 WeakPolarHBondContact O-CA 3.41Å; F89-K93 WeakPolarHBondContact O-CB 3.41Å; F89-K93 PolarHBondContact O-N 3.44Å; F89-R131 HydrophobicContact CD2-CG 4.03Å; F89-R131 HydrophobicContact CE1-CG 4.03Å; F89-R131 HydrophobicContact CE2-CB 3.58Å; F89-R131 VanDerWaalsContact CE2-CD 3.5Å; F89-R131 HydrophobicContact CE2-CG 3.41Å; F89-R131 VanDerWaalsContact CE2-CG 3.41Å; F89-R131 HydrophobicContact CZ-CB 3.6Å; F89-R131 HydrophobicContact CZ-CG 3.43Å; F89-R131 VanDerWaalsContact CZ-CG 3.43Å; F89-I135 HydrophobicContact CE2-CD1 4.45Å |
| 90 | E | 80.7 | Confident | 76.2 | Confident | 115 Ų | 115 | 48.9 Ų | 48.9 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | -178.4 | -69.9 | -57.7 | 121 | 0 | 0 | 112.6 | K93 E94 | E90-K93 PolarHBondContact O-N 3.48Å; E90-K93 IonicContact OE1-NZ 2.76Å; E90-K93 PolarHBondContact OE1-NZ 3.29Å; E90-K93 VanDerWaalsContact OE2-CE 3.24Å; E90-K93 WeakPolarHBondContact OE2-CE 3.37Å; E90-K93 IonicContact OE2-NZ 2.74Å; E90-K93 PolarHBondContact OE2-NZ 2.74Å; E90-E94 PolarHBondContact O-N 2.85Å |
| 91 | S | 78.6 | Confident | 76.7 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.6 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | G88 F89 T95 | G88-S91 PolarHBondContact O-OG 2.7Å; G88-S91 VanDerWaalsContact O-OG 3.06Å; F89-S91 PolarHBondContact O-N 2.92Å; S91-T95 PolarHBondContact O-N 3.29Å; S91-T95 PolarHBondContact O-OG1 3.34Å |
| 92 | M | 76.5 | Confident | 77.2 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.8 | -27.8 | 178.1 | -163.2 | 173.2 | -53.6 | 0 | 0 | 112.6 | L67 L81 V84 G88 F89 E94 T95 V96 | L67-M92 HydrophobicContact CD1-CE 4.27Å; L67-M92 HydrophobicContact CD1-CG 4.08Å; L67-M92 HydrophobicContact CD1-SD 3.48Å; L67-M92 WeakPolarHBondContact CD1-SD 3.41Å; L81-M92 HydrophobicContact CD1-CB 3.71Å; L81-M92 HydrophobicContact CD1-CG 3.91Å; L81-M92 HydrophobicContact CD1-SD 4.43Å; V84-M92 HydrophobicContact CB-CE 4.37Å; V84-M92 HydrophobicContact CB-SD 4.41Å; V84-M92 HydrophobicContact CG1-CE 3.83Å; V84-M92 HydrophobicContact CG1-SD 4.43Å; V84-M92 HydrophobicContact CG2-CB 4.23Å; V84-M92 HydrophobicContact CG2-CE 3.5Å; V84-M92 HydrophobicContact CG2-CG 4.17Å; V84-M92 HydrophobicContact CG2-SD 3.11Å; V84-M92 WeakPolarHBondContact CG2-SD 3.24Å; G88-M92 VanDerWaalsContact O-CB 3.27Å; G88-M92 WeakPolarHBondContact O-CB 3.12Å; G88-M92 PolarHBondContact O-N 3.12Å; F89-M92 PolarHBondContact O-N 3.18Å; M92-E94 VanDerWaalsContact C-N 3.33Å; M92-E94 PolarHBondContact O-N 3.47Å; M92-T95 PolarHBondContact O-N 2.93Å; M92-V96 HydrophobicContact CG-CG2 4.02Å; M92-V96 WeakPolarHBondContact O-CB 3.49Å; M92-V96 VanDerWaalsContact O-CG2 3.3Å; M92-V96 WeakPolarHBondContact O-CG2 3.44Å; M92-V96 PolarHBondContact O-N 2.93Å |
| 93 | K | 79.7 | Confident | 77.6 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 174.4 | -178.3 | 173.3 | 72.2 | -164.7 | 0 | 111 | L81 F89 E90 T97 E134 | L81-K93 HydrophobicContact CD2-CB 4.19Å; L81-K93 HydrophobicContact CD2-CG 4.49Å; F89-K93 HydrophobicContact CE1-CB 4.47Å; F89-K93 HydrophobicContact CE1-CD 3.84Å; F89-K93 HydrophobicContact CZ-CD 4.13Å; F89-K93 WeakPolarHBondContact O-CA 3.41Å; F89-K93 WeakPolarHBondContact O-CB 3.41Å; F89-K93 PolarHBondContact O-N 3.44Å; E90-K93 PolarHBondContact O-N 3.48Å; E90-K93 IonicContact OE1-NZ 2.76Å; E90-K93 PolarHBondContact OE1-NZ 3.29Å; E90-K93 VanDerWaalsContact OE2-CE 3.24Å; E90-K93 WeakPolarHBondContact OE2-CE 3.37Å; E90-K93 IonicContact OE2-NZ 2.74Å; E90-K93 PolarHBondContact OE2-NZ 2.74Å; K93-T97 WeakPolarHBondContact O-CB 3.5Å; K93-T97 PolarHBondContact O-N 3.34Å; K93-T97 PolarHBondContact O-OG1 3.36Å; K93-E134 HydrophobicContact CD-CB 4.43Å; K93-E134 IonicContact NZ-OE2 2.74Å; K93-E134 PolarHBondContact NZ-OE2 2.77Å |
| 94 | E | 81.9 | Confident | 78.1 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 176.6 | -174.1 | 58.5 | -152.6 | 0 | 0 | 111.1 | E90 M92 V96 T97 Q98 | E90-E94 PolarHBondContact O-N 2.85Å; M92-E94 VanDerWaalsContact C-N 3.33Å; M92-E94 PolarHBondContact O-N 3.47Å; E94-V96 PolarHBondContact O-N 2.92Å; E94-T97 PolarHBondContact O-N 2.89Å; E94-Q98 WeakPolarHBondContact O-CG 3.47Å; E94-Q98 PolarHBondContact O-N 2.79Å; E94-Q98 PolarHBondContact OE1-NE2 3.02Å |
| 95 | T | 79 | Confident | 78.5 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 20% | 0.202 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 178.3 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | F64 L67 S91 M92 Q98 T99 | F64-T95 HydrophobicContact CD2-CG2 4.47Å; L67-T95 HydrophobicContact CD2-CG2 3.81Å; S91-T95 PolarHBondContact O-N 3.29Å; S91-T95 PolarHBondContact O-OG1 3.34Å; M92-T95 PolarHBondContact O-N 2.93Å; T95-Q98 PolarHBondContact O-N 3.2Å; T95-T99 WeakPolarHBondContact O-CB 3.25Å; T95-T99 PolarHBondContact O-N 3.21Å; T95-T99 PolarHBondContact O-OG1 2.62Å |
| 96 | V | 77.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 178.3 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | P77 L81 M92 E94 Q98 T99 I100 I135 | P77-V96 HydrophobicContact CB-CG1 4.26Å; L81-V96 HydrophobicContact CB-CG1 4.5Å; L81-V96 HydrophobicContact CB-CG2 4.18Å; L81-V96 HydrophobicContact CD2-CB 3.74Å; L81-V96 HydrophobicContact CD2-CG1 3.83Å; L81-V96 HydrophobicContact CD2-CG2 4.03Å; M92-V96 HydrophobicContact CG-CG2 4.02Å; M92-V96 WeakPolarHBondContact O-CB 3.49Å; M92-V96 VanDerWaalsContact O-CG2 3.3Å; M92-V96 WeakPolarHBondContact O-CG2 3.44Å; M92-V96 PolarHBondContact O-N 2.93Å; E94-V96 PolarHBondContact O-N 2.92Å; V96-Q98 VanDerWaalsContact C-N 3.35Å; V96-Q98 PolarHBondContact O-N 3.06Å; V96-T99 WeakPolarHBondContact O-CB 3.33Å; V96-T99 PolarHBondContact O-N 2.88Å; V96-I100 HydrophobicContact CG1-CD1 3.76Å; V96-I100 HydrophobicContact CG1-CG1 4.31Å; V96-I100 VanDerWaalsContact O-CG1 3.25Å; V96-I100 WeakPolarHBondContact O-CG1 3.19Å; V96-I100 PolarHBondContact O-N 2.83Å; V96-I135 HydrophobicContact CG1-CG2 4.11Å |
| 97 | T | 79.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 111 | K93 E94 T99 I100 R101 N138 | K93-T97 WeakPolarHBondContact O-CB 3.5Å; K93-T97 PolarHBondContact O-N 3.34Å; K93-T97 PolarHBondContact O-OG1 3.36Å; E94-T97 PolarHBondContact O-N 2.89Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.21Å; T97-I100 PolarHBondContact O-N 3.39Å; T97-R101 WeakPolarHBondContact O-CG 3.48Å; T97-R101 PolarHBondContact O-N 3.28Å; T97-N138 HydrophobicContact CG2-CB 3.92Å; T97-N138 WeakPolarHBondContact CG2-O 3.06Å |
| 98 | Q | 80.1 | Confident | 78.1 | Confident | 86 Ų | 86 | 60 Ų | 60 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.9 | -70.8 | 178.1 | 5 | 0 | 0 | 112.2 | E94 T95 V96 R101 S102 | E94-Q98 WeakPolarHBondContact O-CG 3.47Å; E94-Q98 PolarHBondContact O-N 2.79Å; E94-Q98 PolarHBondContact OE1-NE2 3.02Å; T95-Q98 PolarHBondContact O-N 3.2Å; V96-Q98 VanDerWaalsContact C-N 3.35Å; V96-Q98 PolarHBondContact O-N 3.06Å; Q98-R101 PolarHBondContact O-N 3.28Å; Q98-S102 PolarHBondContact O-N 3.02Å; Q98-S102 PolarHBondContact O-OG 3.25Å |
| 99 | T | 77.4 | Confident | 77.9 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | T95 V96 T97 R101 S102 M103 | T95-T99 WeakPolarHBondContact O-CB 3.25Å; T95-T99 PolarHBondContact O-N 3.21Å; T95-T99 PolarHBondContact O-OG1 2.62Å; V96-T99 WeakPolarHBondContact O-CB 3.33Å; V96-T99 PolarHBondContact O-N 2.88Å; T97-T99 VanDerWaalsContact C-N 3.33Å; T97-T99 PolarHBondContact O-N 3.21Å; T99-R101 VanDerWaalsContact C-N 3.34Å; T99-S102 PolarHBondContact O-N 3.2Å; T99-S102 PolarHBondContact O-OG 3.24Å; T99-M103 HydrophobicContact CG2-CE 4.16Å; T99-M103 WeakPolarHBondContact O-CG 3.45Å; T99-M103 PolarHBondContact O-N 2.97Å |
| 100 | I | 76.7 | Confident | 77.4 | Confident | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.1 | -35 | 177.9 | -59.8 | 165.1 | 0 | 0 | 0 | 111 | V78 V96 T97 S102 M103 R108 L111 I135 A139 | V78-I100 HydrophobicContact CG2-CD1 4.08Å; V96-I100 HydrophobicContact CG1-CD1 3.76Å; V96-I100 HydrophobicContact CG1-CG1 4.31Å; V96-I100 VanDerWaalsContact O-CG1 3.25Å; V96-I100 WeakPolarHBondContact O-CG1 3.19Å; V96-I100 PolarHBondContact O-N 2.83Å; T97-I100 PolarHBondContact O-N 3.39Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.29Å; I100-M103 WeakPolarHBondContact O-CB 3.17Å; I100-M103 PolarHBondContact O-N 2.95Å; I100-R108 HydrophobicContact CG2-CG 4.12Å; I100-R108 WeakPolarHBondContact O-CD 3.37Å; I100-L111 HydrophobicContact CB-CD2 4.29Å; I100-L111 HydrophobicContact CD1-CD2 3.74Å; I100-L111 HydrophobicContact CG1-CD2 3.59Å; I100-L111 HydrophobicContact CG2-CD2 3.69Å; I100-I135 HydrophobicContact CD1-CG2 3.81Å; I100-A139 HydrophobicContact CB-CB 3.87Å; I100-A139 HydrophobicContact CD1-CB 3.89Å; I100-A139 HydrophobicContact CG2-CB 3.62Å |
| 101 | R | 77.9 | Confident | 76.8 | Confident | 142 Ų | 142 | 68.7 Ų | 68.7 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 175.3 | -74.9 | 177.6 | -176 | 164.2 | 5.6 | 113 | T97 Q98 T99 M103 N138 | T97-R101 WeakPolarHBondContact O-CG 3.48Å; T97-R101 PolarHBondContact O-N 3.28Å; Q98-R101 PolarHBondContact O-N 3.28Å; T99-R101 VanDerWaalsContact C-N 3.34Å; R101-M103 VanDerWaalsContact C-N 3.3Å; R101-N138 PolarHBondContact NH2-O 2.74Å |
| 102 | S | 79.7 | Confident | 76.1 | Confident | 93 Ų | 93 | 69.6 Ų | 69.6 | 65% | 0.65 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -80 | -11.8 | 177.1 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | Q98 T99 I100 | Q98-S102 PolarHBondContact O-N 3.02Å; Q98-S102 PolarHBondContact O-OG 3.25Å; T99-S102 PolarHBondContact O-N 3.2Å; T99-S102 PolarHBondContact O-OG 3.24Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 3.29Å |
| 103 | M | 77.9 | Confident | 75.3 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 17% | 0.172 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -68.8 | 145 | 176.2 | -74.9 | -179.9 | -175.8 | 0 | 0 | 112.8 | P77 T99 I100 R101 Q107 R108 L111 | P77-M103 HydrophobicContact CG-CE 3.79Å; T99-M103 HydrophobicContact CG2-CE 4.16Å; T99-M103 WeakPolarHBondContact O-CG 3.45Å; T99-M103 PolarHBondContact O-N 2.97Å; I100-M103 WeakPolarHBondContact O-CB 3.17Å; I100-M103 PolarHBondContact O-N 2.95Å; R101-M103 VanDerWaalsContact C-N 3.3Å; M103-Q107 VanDerWaalsContact CA-OE1 3.29Å; M103-Q107 HydrophobicContact CB-CB 3.75Å; M103-Q107 HydrophobicContact CG-CB 4.01Å; M103-Q107 HydrophobicContact SD-CB 4.17Å; M103-R108 HydrophobicContact CB-CG 3.85Å; M103-R108 PolarHBondContact O-NE 3.46Å; M103-L111 HydrophobicContact SD-CD2 4.37Å |
| 104 | T | 82 | Confident | 74.6 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | trans | -62 | 157.6 | 170.2 | 71.9 | 0 | 0 | 0 | 0 | 110.7 | E106 Q107 R108 | T104-E106 PolarHBondContact O-N 2.89Å; T104-Q107 PolarHBondContact O-N 3.49Å; T104-Q107 VanDerWaalsContact O-N 3.14Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.42Å; T104-Q107 PolarHBondContact OG1-N 3.07Å; T104-R108 PolarHBondContact O-N 3.44Å | ||
| 105 | P | 78.6 | Confident | 73.7 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.4 | -32.2 | 174.9 | -26.4 | 35.2 | 0 | 0 | 0 | 113.6 | R109 | P105-R109 WeakPolarHBondContact O-CG 3.46Å; P105-R109 PolarHBondContact O-N 3.41Å |
| 106 | E | 75.8 | Confident | 72.8 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.1 | -45.8 | 175.8 | -174.5 | 171.2 | -168.6 | 0 | 0 | 111.9 | T104 R108 R109 L110 | T104-E106 PolarHBondContact O-N 2.89Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 3.46Å; E106-R109 WeakPolarHBondContact O-CB 3.31Å; E106-R109 PolarHBondContact O-N 3.46Å; E106-R109 VanDerWaalsContact O-N 3.15Å; E106-L110 PolarHBondContact O-N 3.36Å |
| 107 | Q | 74.7 | Confident | 72.1 | Confident | 96 Ų | 96 | 81.8 Ų | 81.8 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 173.3 | -74.4 | 171.3 | -27.9 | 0 | 0 | 111.7 | M103 T104 R109 L110 L111 | M103-Q107 VanDerWaalsContact CA-OE1 3.29Å; M103-Q107 HydrophobicContact CB-CB 3.75Å; M103-Q107 HydrophobicContact CG-CB 4.01Å; M103-Q107 HydrophobicContact SD-CB 4.17Å; T104-Q107 PolarHBondContact O-N 3.49Å; T104-Q107 VanDerWaalsContact O-N 3.14Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.42Å; T104-Q107 PolarHBondContact OG1-N 3.07Å; Q107-R109 VanDerWaalsContact C-N 3.34Å; Q107-R109 PolarHBondContact O-N 3.16Å; Q107-L110 PolarHBondContact O-N 3.11Å; Q107-L111 WeakPolarHBondContact O-CB 3.31Å; Q107-L111 PolarHBondContact O-N 2.94Å |
| 108 | R | 71.6 | Confident | 71 | Confident | 94 Ų | 94 | 82.6 Ų | 82.6 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 174.6 | -73.1 | -171.8 | -81.1 | -179 | -4.5 | 113.1 | I100 M103 T104 E106 L111 T112 | I100-R108 HydrophobicContact CG2-CG 4.12Å; I100-R108 WeakPolarHBondContact O-CD 3.37Å; M103-R108 HydrophobicContact CB-CG 3.85Å; M103-R108 PolarHBondContact O-NE 3.46Å; T104-R108 PolarHBondContact O-N 3.44Å; E106-R108 VanDerWaalsContact C-N 3.32Å; E106-R108 PolarHBondContact O-N 3.46Å; R108-L111 WeakPolarHBondContact O-CB 3.25Å; R108-L111 PolarHBondContact O-N 3.43Å; R108-T112 PolarHBondContact O-N 3.45Å; R108-T112 PolarHBondContact O-OG1 3.07Å |
| 109 | R | 70.6 | Confident | 70 | Confident | 188 Ų | 188 | 81.3 Ų | 81.3 | 71% | 0.709 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 173.4 | -77.9 | 175.3 | -177.4 | 168.8 | 1.7 | 111.6 | P105 E106 Q107 L111 T112 V113 | P105-R109 WeakPolarHBondContact O-CG 3.46Å; P105-R109 PolarHBondContact O-N 3.41Å; E106-R109 WeakPolarHBondContact O-CB 3.31Å; E106-R109 PolarHBondContact O-N 3.46Å; E106-R109 VanDerWaalsContact O-N 3.15Å; Q107-R109 VanDerWaalsContact C-N 3.34Å; Q107-R109 PolarHBondContact O-N 3.16Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 3.44Å; R109-T112 WeakPolarHBondContact O-CB 3.17Å; R109-T112 PolarHBondContact O-N 3.06Å; R109-V113 PolarHBondContact O-N 3.39Å; R109-V113 VanDerWaalsContact O-N 3.16Å |
| 110 | L | 69.6 | Low | 69.4 | Low | 117 Ų | 117 | 81.1 Ų | 81.1 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 174.9 | -69.8 | 170.9 | 0 | 0 | 0 | 111.2 | E106 Q107 T112 V113 S114 | E106-L110 PolarHBondContact O-N 3.36Å; Q107-L110 PolarHBondContact O-N 3.11Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.5Å; L110-V113 WeakPolarHBondContact O-CB 3.48Å; L110-V113 PolarHBondContact O-N 3Å; L110-V113 VanDerWaalsContact O-N 3.17Å; L110-S114 PolarHBondContact O-N 2.67Å |
| 111 | L | 67.7 | Low | 68.3 | Low | 19 Ų | 19 | 88.7 Ų | 88.7 | 10% | 0.099 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 174.1 | -171.1 | 72.9 | 0 | 0 | 0 | 111.6 | D76 P77 V78 I100 M103 Q107 R108 R109 V113 S114 C115 | D76-L111 WeakPolarHBondContact OD1-CD1 3.09Å; P77-L111 HydrophobicContact CG-CD1 3.94Å; V78-L111 HydrophobicContact CG2-CD1 4.02Å; V78-L111 HydrophobicContact CG2-CD2 4.2Å; V78-L111 HydrophobicContact CG2-CG 4.28Å; I100-L111 HydrophobicContact CB-CD2 4.29Å; I100-L111 HydrophobicContact CD1-CD2 3.74Å; I100-L111 HydrophobicContact CG1-CD2 3.59Å; I100-L111 HydrophobicContact CG2-CD2 3.69Å; M103-L111 HydrophobicContact SD-CD2 4.37Å; Q107-L111 WeakPolarHBondContact O-CB 3.31Å; Q107-L111 PolarHBondContact O-N 2.94Å; R108-L111 WeakPolarHBondContact O-CB 3.25Å; R108-L111 PolarHBondContact O-N 3.43Å; R109-L111 VanDerWaalsContact C-N 3.32Å; R109-L111 PolarHBondContact O-N 3.44Å; L111-V113 VanDerWaalsContact C-N 3.25Å; L111-V113 PolarHBondContact O-N 3.26Å; L111-S114 CarbonylContact O-C 3.56Å; L111-S114 PolarHBondContact O-N 2.92Å; L111-S114 VanDerWaalsContact O-N 3.1Å; L111-C115 WeakPolarHBondContact O-CB 3.34Å; L111-C115 PolarHBondContact O-N 3.28Å; L111-C115 PolarHBondContact O-SG 3.33Å |
| 112 | T | 64.6 | Low | 67.5 | Low | 71 Ų | 71 | 82.3 Ų | 82.3 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | R108 R109 L110 K116 | R108-T112 PolarHBondContact O-N 3.45Å; R108-T112 PolarHBondContact O-OG1 3.07Å; R109-T112 WeakPolarHBondContact O-CB 3.17Å; R109-T112 PolarHBondContact O-N 3.06Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.5Å; T112-K116 PolarHBondContact O-N 3.45Å |
| 113 | V | 59.8 | Low | 66.4 | Low | 91 Ų | 91 | 81.9 Ų | 81.9 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.6 | -44.8 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | R109 L110 L111 K116 | R109-V113 PolarHBondContact O-N 3.39Å; R109-V113 VanDerWaalsContact O-N 3.16Å; L110-V113 WeakPolarHBondContact O-CB 3.48Å; L110-V113 PolarHBondContact O-N 3Å; L110-V113 VanDerWaalsContact O-N 3.17Å; L111-V113 VanDerWaalsContact C-N 3.25Å; L111-V113 PolarHBondContact O-N 3.26Å; V113-K116 WeakPolarHBondContact O-CB 3.23Å; V113-K116 PolarHBondContact O-N 2.9Å |
| 114 | S | 64 | Low | 66 | Low | 33 Ų | 33 | 86.9 Ų | 86.9 | 23% | 0.231 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 176.6 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | D76 L110 L111 K116 Q117 L118 | D76-S114 WeakPolarHBondContact OD2-CB 3.3Å; D76-S114 PolarHBondContact OD2-OG 3.46Å; L110-S114 PolarHBondContact O-N 2.67Å; L111-S114 CarbonylContact O-C 3.56Å; L111-S114 PolarHBondContact O-N 2.92Å; L111-S114 VanDerWaalsContact O-N 3.1Å; S114-K116 PolarHBondContact O-N 2.82Å; S114-K116 VanDerWaalsContact O-N 3.17Å; S114-Q117 WeakPolarHBondContact O-CA 3.35Å; S114-Q117 WeakPolarHBondContact O-CB 3.2Å; S114-Q117 PolarHBondContact O-N 3.27Å; S114-L118 PolarHBondContact O-N 3.42Å |
| 115 | C | 62.2 | Low | 65.3 | Low | 11 Ų | 11 | 87 Ų | 87 | 7% | 0.074 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -55.7 | -33.1 | 172.9 | -74.9 | 0 | 0 | 0 | 0 | 112.7 | L111 Q117 L118 L119 | L111-C115 WeakPolarHBondContact O-CB 3.34Å; L111-C115 PolarHBondContact O-N 3.28Å; L111-C115 PolarHBondContact O-SG 3.33Å; C115-Q117 VanDerWaalsContact C-N 3.33Å; C115-Q117 PolarHBondContact O-N 2.86Å; C115-L118 PolarHBondContact O-N 3.44Å; C115-L119 WeakPolarHBondContact O-CA 3.25Å; C115-L119 WeakPolarHBondContact O-CB 3.43Å; C115-L119 WeakPolarHBondContact O-CD1 3.46Å; C115-L119 WeakPolarHBondContact O-CG 3.17Å; C115-L119 PolarHBondContact O-N 3.43Å |
| 116 | K | 61.2 | Low | 64.8 | Low | 154 Ų | 154 | 88.5 Ų | 88.5 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 175 | -72.9 | 178.7 | 179.3 | 179.4 | 0 | 111.9 | T112 V113 S114 G120 | T112-K116 PolarHBondContact O-N 3.45Å; V113-K116 WeakPolarHBondContact O-CB 3.23Å; V113-K116 PolarHBondContact O-N 2.9Å; S114-K116 PolarHBondContact O-N 2.82Å; S114-K116 VanDerWaalsContact O-N 3.17Å; K116-G120 PolarHBondContact O-N 3.26Å; K116-G120 VanDerWaalsContact O-N 3.16Å |
| 117 | Q | 62 | Low | 64.7 | Low | 138 Ų | 138 | 87.2 Ų | 87.2 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.1 | -44.7 | 176.4 | -63.1 | -179.5 | -26.1 | 0 | 0 | 110.4 | S114 C115 G120 Y121 | S114-Q117 WeakPolarHBondContact O-CA 3.35Å; S114-Q117 WeakPolarHBondContact O-CB 3.2Å; S114-Q117 PolarHBondContact O-N 3.27Å; C115-Q117 VanDerWaalsContact C-N 3.33Å; C115-Q117 PolarHBondContact O-N 2.86Å; Q117-G120 PolarHBondContact O-N 3.04Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.21Å; Q117-Y121 PolarHBondContact O-N 3.33Å |
| 118 | L | 57.5 | Low | 64.6 | Low | 18 Ų | 18 | 83 Ų | 83 | 9% | 0.094 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.7 | -71 | 174.2 | 0 | 0 | 0 | 113 | D76 V78 Q79 L82 S114 C115 G120 Y121 A122 | D76-L118 HydrophobicContact CB-CD1 4.15Å; D76-L118 WeakPolarHBondContact OD2-CD1 3.37Å; V78-L118 HydrophobicContact CB-CD1 4.09Å; V78-L118 HydrophobicContact CG1-CD1 4.14Å; Q79-L118 HydrophobicContact CB-CD1 3.69Å; Q79-L118 HydrophobicContact CB-CD2 3.69Å; Q79-L118 HydrophobicContact CB-CG 4.34Å; Q79-L118 HydrophobicContact CG-CD2 3.7Å; L82-L118 HydrophobicContact CD1-CB 4.12Å; S114-L118 PolarHBondContact O-N 3.42Å; C115-L118 PolarHBondContact O-N 3.44Å; L118-G120 PolarHBondContact O-N 3.49Å; L118-Y121 CarbonylContact O-C 3.58Å; L118-Y121 WeakPolarHBondContact O-CA 3.2Å; L118-Y121 PolarHBondContact O-N 3.38Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.13Å; L118-A122 PolarHBondContact O-N 2.81Å |
| 119 | L | 59.1 | Low | 64.4 | Low | 59 Ų | 59 | 80 Ų | 80 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 173.6 | -78.6 | 167 | 0 | 0 | 0 | 109.9 | C115 Y121 A122 T123 A132 | C115-L119 WeakPolarHBondContact O-CA 3.25Å; C115-L119 WeakPolarHBondContact O-CB 3.43Å; C115-L119 WeakPolarHBondContact O-CD1 3.46Å; C115-L119 WeakPolarHBondContact O-CG 3.17Å; C115-L119 PolarHBondContact O-N 3.43Å; L119-Y121 PolarHBondContact O-N 3.45Å; L119-A122 PolarHBondContact O-N 3.05Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 WeakPolarHBondContact O-CG2 3.11Å; L119-T123 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-OG1 2.67Å; L119-A132 HydrophobicContact CD2-CB 3.34Å; L119-A132 HydrophobicContact CG-CB 4.33Å |
| 120 | G | 63.8 | Low | 64.6 | Low | 42 Ų | 42 | 74.9 Ų | 74.9 | 43% | 0.433 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.5 | -36 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K116 Q117 L118 | K116-G120 PolarHBondContact O-N 3.26Å; K116-G120 VanDerWaalsContact O-N 3.16Å; Q117-G120 PolarHBondContact O-N 3.04Å; L118-G120 PolarHBondContact O-N 3.49Å |
| 121 | Y | 55 | Low | 64.9 | Low | 166 Ų | 166 | 70 Ų | 70 | 65% | 0.651 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -83.1 | -43.1 | 174.9 | -78.1 | -74.9 | 0 | 0 | 0 | 113.4 | Q117 L118 L119 Q124 | Q117-Y121 WeakPolarHBondContact O-CD2 3.21Å; Q117-Y121 PolarHBondContact O-N 3.33Å; L118-Y121 CarbonylContact O-C 3.58Å; L118-Y121 WeakPolarHBondContact O-CA 3.2Å; L118-Y121 PolarHBondContact O-N 3.38Å; L119-Y121 PolarHBondContact O-N 3.45Å; Y121-Q124 VanDerWaalsContact O-CB 3.25Å; Y121-Q124 WeakPolarHBondContact O-CB 3.48Å; Y121-Q124 VanDerWaalsContact O-CG 3.31Å; Y121-Q124 WeakPolarHBondContact O-CG 3.3Å; Y121-Q124 PolarHBondContact O-N 3.05Å |
| 122 | A | 59.8 | Low | 65.1 | Low | 8 Ų | 8 | 69.2 Ų | 69.2 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.2 | -37.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L82 L118 L119 Q124 T125 G128 A129 A132 | L82-A122 HydrophobicContact CD1-CB 3.81Å; L82-A122 HydrophobicContact CD2-CB 3.84Å; L82-A122 HydrophobicContact CG-CB 4.49Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.13Å; L118-A122 PolarHBondContact O-N 2.81Å; L119-A122 PolarHBondContact O-N 3.05Å; A122-Q124 PolarHBondContact O-N 3.45Å; A122-T125 CarbonylContact O-C 3.47Å; A122-T125 PolarHBondContact O-N 2.93Å; A122-T125 PolarHBondContact O-OG1 3.48Å; A122-G128 CarbonylContact O-C 3.49Å; A122-G128 WeakPolarHBondContact O-CA 3.4Å; A122-A129 PolarHBondContact O-N 3.02Å; A122-A132 HydrophobicContact CB-CB 4.47Å |
| 123 | T | 57.7 | Low | 65.4 | Low | 85 Ų | 85 | 68.5 Ų | 68.5 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.3 | 175.9 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | L119 T125 A129 | L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 WeakPolarHBondContact O-CG2 3.11Å; L119-T123 PolarHBondContact O-N 2.91Å; L119-T123 PolarHBondContact O-OG1 2.67Å; T123-T125 PolarHBondContact O-N 3.19Å; T123-A129 HydrophobicContact CG2-CB 4.11Å |
| 124 | Q | 68.4 | Low | 66 | Low | 140 Ų | 140 | 67.3 Ų | 67.3 | 65% | 0.654 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.5 | 168.3 | -58.5 | -179.6 | 20.5 | 0 | 0 | 111.6 | Y121 A122 | Y121-Q124 VanDerWaalsContact O-CB 3.25Å; Y121-Q124 WeakPolarHBondContact O-CB 3.48Å; Y121-Q124 VanDerWaalsContact O-CG 3.31Å; Y121-Q124 WeakPolarHBondContact O-CG 3.3Å; Y121-Q124 PolarHBondContact O-N 3.05Å; A122-Q124 PolarHBondContact O-N 3.45Å |
| 125 | T | 66.7 | Low | 66.4 | Low | 71 Ų | 71 | 65.8 Ų | 65.8 | 44% | 0.436 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -125 | 137.9 | 173.7 | 69.3 | 0 | 0 | 0 | 0 | 110.2 | A122 T123 R127 G128 A129 | A122-T125 CarbonylContact O-C 3.47Å; A122-T125 PolarHBondContact O-N 2.93Å; A122-T125 PolarHBondContact O-OG1 3.48Å; T123-T125 PolarHBondContact O-N 3.19Å; T125-R127 PolarHBondContact O-N 3.1Å; T125-R127 VanDerWaalsContact O-N 3.14Å; T125-G128 PolarHBondContact O-N 3.48Å; T125-G128 PolarHBondContact OG1-N 3.44Å; T125-A129 PolarHBondContact O-N 3.31Å |
| 126 | P | 69.3 | Low | 66.7 | Low | 115 Ų | 115 | 67.1 Ų | 67.1 | 75% | 0.747 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.1 | -36 | 174.7 | -27.3 | 34.7 | 0 | 0 | 0 | 112.5 | A129 T130 | P126-A129 PolarHBondContact O-N 3.23Å; P126-T130 PolarHBondContact O-N 3.18Å; P126-T130 VanDerWaalsContact O-N 3.12Å; P126-T130 PolarHBondContact O-OG1 3.18Å |
| 127 | R | 74.1 | Confident | 67.2 | Low | 115 Ų | 115 | 67.5 Ų | 67.5 | 43% | 0.434 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 178.1 | -176.5 | 175.6 | 175.2 | -147.7 | -2 | 112.6 | D86 T125 A129 T130 R131 | D86-R127 VanDerWaalsContact CG-CZ 3.5Å; D86-R127 IonicContact OD1-CZ 3.16Å; D86-R127 IonicContact OD1-NE 2.9Å; D86-R127 PolarHBondContact OD1-NE 3.15Å; D86-R127 IonicContact OD1-NH2 3Å; D86-R127 PolarHBondContact OD1-NH2 3.48Å; D86-R127 IonicContact OD2-CZ 3.23Å; D86-R127 VanDerWaalsContact OD2-CZ 3.23Å; D86-R127 IonicContact OD2-NE 3.4Å; D86-R127 PolarHBondContact OD2-NE 3.12Å; D86-R127 IonicContact OD2-NH1 3.97Å; D86-R127 IonicContact OD2-NH2 2.87Å; D86-R127 PolarHBondContact OD2-NH2 2.96Å; T125-R127 PolarHBondContact O-N 3.1Å; T125-R127 VanDerWaalsContact O-N 3.14Å; R127-A129 VanDerWaalsContact C-N 3.31Å; R127-A129 PolarHBondContact O-N 3.2Å; R127-T130 PolarHBondContact O-N 3.46Å; R127-R131 WeakPolarHBondContact O-CB 3.36Å; R127-R131 VanDerWaalsContact O-CG 3.28Å; R127-R131 WeakPolarHBondContact O-CG 3.33Å; R127-R131 PolarHBondContact O-N 3.14Å; R127-R131 VanDerWaalsContact O-N 3.1Å |
| 128 | G | 71 | Confident | 67.6 | Low | 7 Ų | 7 | 63.4 Ų | 63.4 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 A122 T125 A132 | L82-G128 WeakPolarHBondContact CD2-O 3.4Å; A122-G128 CarbonylContact O-C 3.49Å; A122-G128 WeakPolarHBondContact O-CA 3.4Å; T125-G128 PolarHBondContact O-N 3.48Å; T125-G128 PolarHBondContact OG1-N 3.44Å; G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.47Å; G128-A132 PolarHBondContact O-N 3.39Å |
| 129 | A | 68.6 | Low | 68.1 | Low | 32 Ų | 32 | 63 Ų | 63 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -51 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A122 T123 T125 P126 R127 R131 A132 A133 | A122-A129 PolarHBondContact O-N 3.02Å; T123-A129 HydrophobicContact CG2-CB 4.11Å; T125-A129 PolarHBondContact O-N 3.31Å; P126-A129 PolarHBondContact O-N 3.23Å; R127-A129 VanDerWaalsContact C-N 3.31Å; R127-A129 PolarHBondContact O-N 3.2Å; A129-R131 PolarHBondContact O-N 2.72Å; A129-A132 PolarHBondContact O-N 2.61Å; A129-A133 WeakPolarHBondContact O-CB 3.48Å; A129-A133 PolarHBondContact O-N 2.73Å |
| 130 | T | 74.8 | Confident | 68.2 | Low | 81 Ų | 81 | 69.2 Ų | 69.2 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 179.7 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | P126 R127 A132 A133 E134 | P126-T130 PolarHBondContact O-N 3.18Å; P126-T130 VanDerWaalsContact O-N 3.12Å; P126-T130 PolarHBondContact O-OG1 3.18Å; R127-T130 PolarHBondContact O-N 3.46Å; T130-A132 PolarHBondContact O-N 3.27Å; T130-A133 PolarHBondContact O-N 3.31Å; T130-E134 PolarHBondContact O-N 3.28Å |
| 131 | R | 76.2 | Confident | 68.4 | Low | 14 Ų | 14 | 70.6 Ų | 70.6 | 5% | 0.053 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 179.4 | -71.2 | 179.2 | 164.3 | -157.9 | -11.9 | 112 | L82 V84 D86 F89 R127 A129 A133 E134 I135 | L82-R131 HydrophobicContact CD2-CB 4.15Å; L82-R131 PolarHBondContact O-NH1 3.27Å; V84-R131 PolarHBondContact O-NH1 3.21Å; V84-R131 PolarHBondContact O-NH2 3.04Å; D86-R131 IonicContact OD1-CZ 3.46Å; D86-R131 IonicContact OD1-NE 3.76Å; D86-R131 IonicContact OD1-NH2 2.61Å; D86-R131 PolarHBondContact OD1-NH2 3.06Å; F89-R131 HydrophobicContact CD2-CG 4.03Å; F89-R131 HydrophobicContact CE1-CG 4.03Å; F89-R131 HydrophobicContact CE2-CB 3.58Å; F89-R131 VanDerWaalsContact CE2-CD 3.5Å; F89-R131 HydrophobicContact CE2-CG 3.41Å; F89-R131 VanDerWaalsContact CE2-CG 3.41Å; F89-R131 HydrophobicContact CZ-CB 3.6Å; F89-R131 HydrophobicContact CZ-CG 3.43Å; F89-R131 VanDerWaalsContact CZ-CG 3.43Å; R127-R131 WeakPolarHBondContact O-CB 3.36Å; R127-R131 VanDerWaalsContact O-CG 3.28Å; R127-R131 WeakPolarHBondContact O-CG 3.33Å; R127-R131 PolarHBondContact O-N 3.14Å; R127-R131 VanDerWaalsContact O-N 3.1Å; A129-R131 PolarHBondContact O-N 2.72Å; R131-A133 VanDerWaalsContact C-N 3.31Å; R131-A133 PolarHBondContact O-N 3.31Å; R131-E134 PolarHBondContact O-N 3.2Å; R131-I135 WeakPolarHBondContact O-CD1 3.24Å; R131-I135 WeakPolarHBondContact O-CG1 3.5Å; R131-I135 PolarHBondContact O-N 3.4Å; R131-I135 VanDerWaalsContact O-N 3.11Å |
| 132 | A | 71.1 | Confident | 69.1 | Low | 2 Ų | 2 | 65.5 Ų | 65.5 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L82 L119 A122 G128 A129 T130 I135 V136 | L82-A132 HydrophobicContact CD2-CB 4.26Å; L119-A132 HydrophobicContact CD2-CB 3.34Å; L119-A132 HydrophobicContact CG-CB 4.33Å; A122-A132 HydrophobicContact CB-CB 4.47Å; G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.47Å; G128-A132 PolarHBondContact O-N 3.39Å; A129-A132 PolarHBondContact O-N 2.61Å; T130-A132 PolarHBondContact O-N 3.27Å; A132-I135 PolarHBondContact O-N 3.02Å; A132-V136 WeakPolarHBondContact O-CB 3.37Å; A132-V136 VanDerWaalsContact O-CG2 3.25Å; A132-V136 WeakPolarHBondContact O-CG2 3.28Å; A132-V136 PolarHBondContact O-N 3.47Å |
| 133 | A | 70.7 | Confident | 69.6 | Low | 57 Ų | 57 | 68.7 Ų | 68.7 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A129 T130 R131 I135 V136 F137 | A129-A133 WeakPolarHBondContact O-CB 3.48Å; A129-A133 PolarHBondContact O-N 2.73Å; T130-A133 PolarHBondContact O-N 3.31Å; R131-A133 VanDerWaalsContact C-N 3.31Å; R131-A133 PolarHBondContact O-N 3.31Å; A133-I135 PolarHBondContact O-N 3.43Å; A133-V136 PolarHBondContact O-N 3.4Å; A133-F137 VanDerWaalsContact O-CB 3.23Å; A133-F137 WeakPolarHBondContact O-CB 3.4Å; A133-F137 PolarHBondContact O-N 2.87Å |
| 134 | E | 73.9 | Confident | 70.3 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 177.1 | -76.3 | -177.2 | -150 | 0 | 0 | 112.5 | K93 T130 R131 F137 N138 | K93-E134 HydrophobicContact CD-CB 4.43Å; K93-E134 IonicContact NZ-OE2 2.74Å; K93-E134 PolarHBondContact NZ-OE2 2.77Å; T130-E134 PolarHBondContact O-N 3.28Å; R131-E134 PolarHBondContact O-N 3.2Å; E134-F137 PolarHBondContact O-N 3.23Å; E134-N138 WeakPolarHBondContact O-CB 3.35Å; E134-N138 PolarHBondContact O-N 3.18Å; E134-N138 PolarHBondContact O-ND2 3.43Å |
| 135 | I | 70.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -48.1 | -178.8 | -61.2 | 158 | 0 | 0 | 0 | 110.4 | V78 L81 F89 V96 I100 R131 A132 A133 F137 N138 A139 | V78-I135 HydrophobicContact CG1-CD1 4.37Å; V78-I135 HydrophobicContact CG2-CG2 4.07Å; L81-I135 HydrophobicContact CB-CD1 3.83Å; L81-I135 HydrophobicContact CD2-CB 4.44Å; L81-I135 HydrophobicContact CD2-CD1 3.21Å; L81-I135 HydrophobicContact CD2-CG1 3.29Å; L81-I135 HydrophobicContact CD2-CG2 4.31Å; L81-I135 HydrophobicContact CG-CD1 3.49Å; L81-I135 VanDerWaalsContact CG-CD1 3.49Å; L81-I135 HydrophobicContact CG-CG1 4.09Å; F89-I135 HydrophobicContact CE2-CD1 4.45Å; V96-I135 HydrophobicContact CG1-CG2 4.11Å; I100-I135 HydrophobicContact CD1-CG2 3.81Å; R131-I135 WeakPolarHBondContact O-CD1 3.24Å; R131-I135 WeakPolarHBondContact O-CG1 3.5Å; R131-I135 PolarHBondContact O-N 3.4Å; R131-I135 VanDerWaalsContact O-N 3.11Å; A132-I135 PolarHBondContact O-N 3.02Å; A133-I135 PolarHBondContact O-N 3.43Å; I135-F137 VanDerWaalsContact C-N 3.34Å; I135-N138 PolarHBondContact O-N 2.9Å; I135-A139 WeakPolarHBondContact O-CB 3.17Å; I135-A139 PolarHBondContact O-N 2.87Å |
| 136 | V | 70.4 | Confident | 70.7 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 24% | 0.242 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -43.4 | 179.5 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | A132 A133 A139 M140 | A132-V136 WeakPolarHBondContact O-CB 3.37Å; A132-V136 VanDerWaalsContact O-CG2 3.25Å; A132-V136 WeakPolarHBondContact O-CG2 3.28Å; A132-V136 PolarHBondContact O-N 3.47Å; A133-V136 PolarHBondContact O-N 3.4Å; V136-A139 PolarHBondContact O-N 3Å; V136-M140 HydrophobicContact CG1-CE 3.25Å; V136-M140 HydrophobicContact CG1-CG 4.48Å; V136-M140 WeakPolarHBondContact O-CG 3.27Å; V136-M140 PolarHBondContact O-N 2.74Å; V136-M140 VanDerWaalsContact O-N 3.16Å |
| 137 | F | 71.7 | Confident | 70.8 | Confident | 162 Ų | 162 | 59 Ų | 59 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 177.2 | -179.4 | -96.3 | 0 | 0 | 0 | 112.7 | A133 E134 I135 A139 | A133-F137 VanDerWaalsContact O-CB 3.23Å; A133-F137 WeakPolarHBondContact O-CB 3.4Å; A133-F137 PolarHBondContact O-N 2.87Å; E134-F137 PolarHBondContact O-N 3.23Å; I135-F137 VanDerWaalsContact C-N 3.34Å; F137-A139 VanDerWaalsContact C-N 3.33Å; F137-A139 PolarHBondContact O-N 2.76Å |
| 138 | N | 69.6 | Low | 70.6 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -76 | -21.9 | -178.3 | -70.5 | -21.7 | 0 | 0 | 0 | 113.8 | T97 R101 E134 I135 | T97-N138 HydrophobicContact CG2-CB 3.92Å; T97-N138 WeakPolarHBondContact CG2-O 3.06Å; R101-N138 PolarHBondContact NH2-O 2.74Å; E134-N138 WeakPolarHBondContact O-CB 3.35Å; E134-N138 PolarHBondContact O-N 3.18Å; E134-N138 PolarHBondContact O-ND2 3.43Å; I135-N138 PolarHBondContact O-N 2.9Å |
| 139 | A | 66.7 | Low | 70.5 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -96.5 | -20 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I100 I135 V136 F137 | I100-A139 HydrophobicContact CB-CB 3.87Å; I100-A139 HydrophobicContact CD1-CB 3.89Å; I100-A139 HydrophobicContact CG2-CB 3.62Å; I135-A139 WeakPolarHBondContact O-CB 3.17Å; I135-A139 PolarHBondContact O-N 2.87Å; V136-A139 PolarHBondContact O-N 3Å; F137-A139 VanDerWaalsContact C-N 3.33Å; F137-A139 PolarHBondContact O-N 2.76Å |
| 140 | M | 62.2 | Low | 70.7 | Confident | 190 Ų | 190 | 61.1 Ų | 61.1 | 94% | 0.936 | 33% | 0.325 | S | S | * | . | trans | -84.8 | 0 | 171.6 | -68.6 | -149.4 | -136.9 | 0 | 0 | 111.5 | V136 | V136-M140 HydrophobicContact CG1-CE 3.25Å; V136-M140 HydrophobicContact CG1-CG 4.48Å; V136-M140 WeakPolarHBondContact O-CG 3.27Å; V136-M140 PolarHBondContact O-N 2.74Å; V136-M140 VanDerWaalsContact O-N 3.16Å |
Retrieved 140 of 140 residues in 194.3 ms
(Link to these results)