| 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 | 44.4 | Very low | 46.9 | Very low | 250 Ų | 250 | 165.1 Ų | 165.1 | 100% | 1.232 | 85% | 0.848 | S | S | * | * | 0 | 109.2 | 0 | -74.8 | -166.9 | 177.4 | 0 | 0 | 108.1 | |||||
| 2 | S | 45.1 | Very low | 46.7 | Very low | 116 Ų | 116 | 159.1 Ų | 159.1 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -64.2 | 163.8 | 175.4 | -42.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3 | P | 46.4 | Very low | 46.4 | Very low | 109 Ų | 109 | 160.8 Ų | 160.8 | 71% | 0.708 | 83% | 0.832 | S | S | * | * | cis | -147.4 | 118.2 | 21 | 35.6 | -11.6 | 0 | 0 | 0 | 116.2 | ||||
| 4 | L | 48.6 | Very low | 46.1 | Very low | 171 Ų | 171 | 157.5 Ų | 157.5 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -110.5 | 10.5 | 157.1 | -85.9 | 167.6 | 0 | 0 | 0 | 112.4 | S6 | L4-S6 PolarHBondContact O-N 3.4Š|
| 5 | F | 51.3 | Low | 45.7 | Very low | 195 Ų | 195 | 157.5 Ų | 157.5 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 5.7 | -172.3 | -107 | -90.5 | 0 | 0 | 0 | 115.6 | ||
| 6 | S | 53.4 | Low | 45.4 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -8.5 | -174.3 | -81.8 | 0 | 0 | 0 | 0 | 116.1 | L4 | L4-S6 PolarHBondContact O-N 3.4Š|
| 7 | L | 48.1 | Very low | 44.9 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -95.7 | -13.7 | -178.3 | -89.1 | 158.9 | 0 | 0 | 0 | 114.5 | ||
| 8 | Y | 45.2 | Very low | 44.7 | Very low | 219 Ų | 219 | 153.2 Ų | 153.2 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -0.6 | -176.1 | -139.7 | -97.5 | 0 | 0 | 0 | 114.4 | ||
| 9 | K | 47 | Very low | 44.2 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 9 | -176.3 | -149.8 | 170.8 | -177.1 | 178.8 | 0 | 114.6 | ||
| 10 | L | 43.5 | Very low | 43.9 | Very low | 151 Ų | 151 | 158.2 Ų | 158.2 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -104.9 | -0.1 | 177.1 | -88.3 | 160.4 | 0 | 0 | 0 | 114.1 | ||
| 11 | L | 42.7 | Very low | 43.7 | Very low | 167 Ų | 167 | 157 Ų | 157 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -105.3 | 11 | -179.4 | -103.6 | 87.6 | 0 | 0 | 0 | 114.9 | ||
| 12 | S | 44.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 155.8 Ų | 155.8 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | trans | -138.2 | 91 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 13 | H | 42.7 | Very low | 43 | Very low | 181 Ų | 181 | 161.7 Ų | 161.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -177.9 | 115.6 | 146.2 | -94.2 | 20.9 | 0 | 0 | 0 | 108.8 | ||||
| 14 | P | 42.5 | Very low | 42.7 | Very low | 115 Ų | 115 | 164.9 Ų | 164.9 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -76.9 | 158.6 | 162.6 | 34.3 | -28.4 | 0 | 0 | 0 | 108.8 | ||||
| 15 | D | 39.8 | Very low | 41.9 | Very low | 158 Ų | 158 | 161.1 Ų | 161.1 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 72.2 | 86.4 | 178.9 | -72.4 | -25.5 | 0 | 0 | 0 | 118.1 | ||||
| 16 | N | 41.7 | Very low | 41.6 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | -162.5 | 113.6 | 127 | -119.6 | -29 | 0 | 0 | 0 | 112.2 | |||||
| 17 | S | 36.3 | Very low | 40.8 | Very low | 107 Ų | 107 | 161.4 Ų | 161.4 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 157.7 | 168.6 | -65 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 18 | P | 42.4 | Very low | 40.4 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -143 | 130.4 | 104.1 | 32 | -14.9 | 0 | 0 | 0 | 114.9 | |||||
| 19 | R | 34.8 | Very low | 40.2 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 30.4 | 106.5 | 132.8 | -63.3 | -178.9 | 169 | -176.1 | -3.4 | 117.6 | ||||
| 20 | L | 37.4 | Very low | 39.7 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | -179.7 | 148.4 | 124.4 | -95.4 | 146.5 | 0 | 0 | 0 | 109.5 | |||||
| 21 | T | 40.9 | Very low | 39.7 | Very low | 135 Ų | 135 | 152 Ų | 152 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 92.9 | 94.3 | 179.6 | -35 | 0 | 0 | 0 | 0 | 114.9 | R23 | T21-R23 PolarHBondContact O-N 3.24Å; T21-R23 VanDerWaalsContact O-N 3.1Å |
| 22 | R | 35.8 | Very low | 39.4 | Very low | 223 Ų | 223 | 150 Ų | 150 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -35.8 | 107.6 | 168.7 | -82 | 174.7 | 165 | 171.3 | -5.7 | 112 | ||||
| 23 | R | 37.8 | Very low | 39.1 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -82.9 | 111.2 | 153.6 | -83.5 | -174.3 | 173.7 | 176.1 | -1.3 | 107.6 | T21 S25 | T21-R23 PolarHBondContact O-N 3.24Å; T21-R23 VanDerWaalsContact O-N 3.1Å; R23-S25 PolarHBondContact O-N 3.38Å; R23-S25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | F | 40.5 | Very low | 38.9 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 77% | 0.772 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 106.7 | 155.9 | -84.9 | -83.8 | 0 | 0 | 0 | 107 | L26 | F24-L26 PolarHBondContact O-N 3.16Š| ||
| 25 | S | 31.9 | Very low | 38.3 | Very low | 92 Ų | 92 | 149.8 Ų | 149.8 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 110.7 | 168.2 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | R23 | R23-S25 PolarHBondContact O-N 3.38Å; R23-S25 VanDerWaalsContact O-N 3.16Å | ||
| 26 | L | 44.2 | Very low | 38 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -111.6 | 31 | 162.1 | -81.6 | 164.6 | 0 | 0 | 0 | 109.5 | F24 G28 V29 | F24-L26 PolarHBondContact O-N 3.16Å; L26-G28 PolarHBondContact O-N 3Å; L26-G28 VanDerWaalsContact O-N 3.1Å; L26-V29 HydrophobicContact CD2-CG2 3.84Å | ||
| 27 | E | 38.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 78.9 | 159.6 | -104.6 | 90.8 | -153.8 | 0 | 0 | 108 | ||
| 28 | G | 38.2 | Very low | 37.4 | Very low | 66 Ų | 66 | 145.4 Ų | 145.4 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.5 | -16.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L26 | L26-G28 PolarHBondContact O-N 3Å; L26-G28 VanDerWaalsContact O-N 3.1Å |
| 29 | V | 41 | Very low | 37 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -103.5 | -5.8 | -172.4 | -170.1 | 0 | 0 | 0 | 0 | 113 | L26 K31 | L26-V29 HydrophobicContact CD2-CG2 3.84Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.34Å; V29-K31 VanDerWaalsContact O-N 3.17Å |
| 30 | N | 37.1 | Very low | 36.8 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 22 | -172.9 | -66.4 | -32.2 | 0 | 0 | 0 | 115.4 | ||
| 31 | K | 44.1 | Very low | 36.7 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.8 | 8.5 | -178.7 | -81.9 | -175.4 | 177.6 | 179 | 0 | 116.3 | V29 | V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.34Å; V29-K31 VanDerWaalsContact O-N 3.17Å |
| 32 | T | 36.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -144.5 | 38 | -179.6 | 23.4 | 0 | 0 | 0 | 0 | 114 | ||
| 33 | L | 38.3 | Very low | 36.2 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -120.2 | 67.7 | 161.2 | -151.7 | 69.6 | 0 | 0 | 0 | 109.9 | T35 L36 | L33-T35 PolarHBondContact O-N 2.89Å; L33-L36 HydrophobicContact CD1-CD1 3.66Å; L33-L36 HydrophobicContact CG-CD1 4.23Å | ||
| 34 | V | 37.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -57.1 | 122.7 | 156.7 | 169.1 | 0 | 0 | 0 | 0 | 107.1 | L36 | V34-L36 PolarHBondContact O-N 3.29Š| ||
| 35 | T | 31.1 | Very low | 35.7 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 31.9 | 81.2 | 144.4 | -45.2 | 0 | 0 | 0 | 0 | 114.5 | L33 P37 | L33-T35 PolarHBondContact O-N 2.89Å; T35-P37 VanDerWaalsContact O-CD 3.31Å; T35-P37 WeakPolarHBondContact O-CD 3.31Å | ||
| 36 | L | 32.8 | Very low | 36 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | trans | -82.6 | 112.3 | 159.8 | -93 | 144.4 | 0 | 0 | 0 | 107.2 | L33 V34 | L33-L36 HydrophobicContact CD1-CD1 3.66Å; L33-L36 HydrophobicContact CG-CD1 4.23Å; V34-L36 PolarHBondContact O-N 3.29Å | ||
| 37 | P | 31.1 | Very low | 36.2 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 53% | 0.526 | 76% | 0.757 | S | S | . | * | trans | -63.9 | 147.3 | 171.3 | 28.1 | -30.7 | 0 | 0 | 0 | 108.7 | T35 E39 | T35-P37 VanDerWaalsContact O-CD 3.31Å; T35-P37 WeakPolarHBondContact O-CD 3.31Å; P37-E39 PolarHBondContact O-N 3.42Å | ||
| 38 | S | 34.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 94% | 0.937 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 29.5 | -178.5 | -133.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 39 | E | 33.7 | Very low | 38.8 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 5.3 | -164.4 | -80.2 | 176.1 | 147.4 | 0 | 0 | 115.3 | P37 | P37-E39 PolarHBondContact O-N 3.42Š|
| 40 | A | 31.3 | Very low | 40.8 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | trans | -109.4 | 25.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 41 | L | 35.3 | Very low | 43.4 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 95% | 0.948 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -118.9 | 38.1 | 168.8 | -83.2 | 173.4 | 0 | 0 | 0 | 112.3 | ||
| 42 | S | 33.4 | Very low | 45.6 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -116.8 | 7.1 | 176.2 | -167.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 43 | D | 31.6 | Very low | 48.1 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | trans | -130.6 | 40 | -165.6 | -130 | 14.2 | 0 | 0 | 0 | 114 | ||||
| 44 | R | 32.8 | Very low | 50.8 | Low | 224 Ų | 224 | 111.7 Ų | 111.7 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -103 | 124.6 | 160.4 | -169.5 | 173.2 | 161.3 | -175.3 | -7.2 | 106.1 | S46 | R44-S46 PolarHBondContact O-N 3.34Š|
| 45 | P | 36 | Very low | 53.4 | Low | 110 Ų | 110 | 106 Ų | 106 | 71% | 0.714 | 62% | 0.616 | S | S | * | * | trans | -56.2 | 119.6 | -176.5 | 24.5 | -32.1 | 0 | 0 | 0 | 107.1 | T47 | P45-T47 PolarHBondContact O-N 2.96Š| ||
| 46 | S | 38.4 | Very low | 56.4 | Low | 116 Ų | 116 | 103.6 Ų | 103.6 | 81% | 0.811 | 59% | 0.593 | S | S | * | * | trans | -58.7 | 86.4 | 174.8 | 17 | 0 | 0 | 0 | 0 | 107.9 | R44 P48 | R44-S46 PolarHBondContact O-N 3.34Å; S46-P48 VanDerWaalsContact O-CD 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.42Å; S46-P48 VanDerWaalsContact O-N 3.12Å | ||
| 47 | T | 48.2 | Very low | 59.4 | Low | 105 Ų | 105 | 102.6 Ų | 102.6 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | trans | -58.5 | 115 | 157.3 | 48.9 | 0 | 0 | 0 | 0 | 104.5 | P45 S49 | P45-T47 PolarHBondContact O-N 2.96Å; T47-S49 PolarHBondContact O-N 3.37Å | ||
| 48 | P | 57.3 | Low | 62.4 | Low | 126 Ų | 126 | 102 Ų | 102 | 82% | 0.818 | 58% | 0.58 | S | S | * | * | trans | -57.3 | 112 | -178.5 | 22.9 | -31.2 | 0 | 0 | 0 | 106.9 | S46 I50 | S46-P48 VanDerWaalsContact O-CD 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.42Å; S46-P48 VanDerWaalsContact O-N 3.12Å; P48-I50 PolarHBondContact O-N 2.87Å | ||
| 49 | S | 73.3 | Confident | 65.3 | Low | 75 Ų | 75 | 95.6 Ų | 95.6 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | trans | -70.9 | 114.5 | -179.3 | 50.3 | 0 | 0 | 0 | 0 | 107.7 | T47 S51 | T47-S49 PolarHBondContact O-N 3.37Å; S49-S51 PolarHBondContact O-N 2.92Å | ||
| 50 | I | 84.1 | Confident | 68.1 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 31% | 0.313 | 51% | 0.512 | S | S | . | . | trans | -70.6 | 115.1 | 172.4 | -165.3 | 168.2 | 0 | 0 | 0 | 108.5 | P48 D54 V55 I58 L92 | P48-I50 PolarHBondContact O-N 2.87Å; I50-D54 HydrophobicContact CG1-CB 3.72Å; I50-V55 HydrophobicContact CD1-CG2 4.12Å; I50-V55 HydrophobicContact CG1-CG2 4.18Å; I50-I58 HydrophobicContact CD1-CD1 3.81Å; I50-L92 HydrophobicContact CD1-CD1 4.19Å; I50-L92 HydrophobicContact CD1-CD2 3.89Å; I50-L92 HydrophobicContact CD1-CG 4.23Å | ||
| 51 | S | 89.9 | Confident | 71.2 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 22% | 0.217 | 51% | 0.505 | C | S | . | . | trans | -83.6 | 165.1 | 172.7 | 70.3 | 0 | 0 | 0 | 0 | 110.5 | S49 L53 D54 V55 | S49-S51 PolarHBondContact O-N 2.92Å; S51-L53 PolarHBondContact O-N 3.28Å; S51-L53 PolarHBondContact OG-N 3.47Å; S51-D54 WeakPolarHBondContact CB-OD2 3.45Å; S51-D54 PolarHBondContact N-OD2 3.41Å; S51-D54 WeakPolarHBondContact O-CB 3.39Å; S51-D54 PolarHBondContact O-N 3.43Å; S51-D54 VanDerWaalsContact O-N 3.12Å; S51-D54 PolarHBondContact OG-N 3.39Å; S51-D54 PolarHBondContact OG-OD2 3.2Å; S51-V55 PolarHBondContact O-N 3.19Å | ||
| 52 | V | 90.7 | Very high | 74 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 14% | 0.139 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -59.6 | -35.4 | 174.6 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | D54 V55 Y56 A96 T97 E100 | V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.25Å; V52-V55 WeakPolarHBondContact O-CB 3.31Å; V52-V55 PolarHBondContact O-N 3.22Å; V52-Y56 HydrophobicContact CG1-CD2 3.92Å; V52-Y56 HydrophobicContact CG1-CE2 3.54Å; V52-Y56 WeakPolarHBondContact O-CD2 3.38Å; V52-Y56 PolarHBondContact O-N 2.87Å; V52-A96 HydrophobicContact CG2-CB 3.96Å; V52-T97 HydrophobicContact CG2-CG2 3.47Å; V52-T97 VanDerWaalsContact CG2-CG2 3.47Å; V52-E100 PolarHBondContact N-OE1 3.33Å |
| 53 | L | 90.2 | Very high | 76.8 | Confident | 129 Ų | 129 | 78.1 Ų | 78.1 | 68% | 0.675 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 175.3 | -76 | 158.8 | 0 | 0 | 0 | 112.1 | S51 V55 Y56 D57 | S51-L53 PolarHBondContact O-N 3.28Å; S51-L53 PolarHBondContact OG-N 3.47Å; L53-V55 PolarHBondContact O-N 3.47Å; L53-Y56 WeakPolarHBondContact O-CB 3.44Å; L53-Y56 PolarHBondContact O-N 3.24Å; L53-Y56 VanDerWaalsContact O-N 3.09Å; L53-D57 PolarHBondContact O-N 3.09Å |
| 54 | D | 93 | Very high | 79.8 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 33% | 0.332 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -35 | 177 | -58.8 | -52.5 | 0 | 0 | 0 | 111.2 | I50 S51 V52 D57 I58 | I50-D54 HydrophobicContact CG1-CB 3.72Å; S51-D54 WeakPolarHBondContact CB-OD2 3.45Å; S51-D54 PolarHBondContact N-OD2 3.41Å; S51-D54 WeakPolarHBondContact O-CB 3.39Å; S51-D54 PolarHBondContact O-N 3.43Å; S51-D54 VanDerWaalsContact O-N 3.12Å; S51-D54 PolarHBondContact OG-N 3.39Å; S51-D54 PolarHBondContact OG-OD2 3.2Å; V52-D54 VanDerWaalsContact C-N 3.34Å; V52-D54 PolarHBondContact O-N 3.25Å; D54-D57 PolarHBondContact O-N 3.43Å; D54-I58 WeakPolarHBondContact O-CB 3.27Å; D54-I58 WeakPolarHBondContact O-CD1 3.45Å; D54-I58 WeakPolarHBondContact O-CG1 3.08Å; D54-I58 PolarHBondContact O-N 2.87Å |
| 55 | V | 94 | Very high | 82.7 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | I50 S51 V52 L53 I58 A59 L89 L92 E93 A96 | I50-V55 HydrophobicContact CD1-CG2 4.12Å; I50-V55 HydrophobicContact CG1-CG2 4.18Å; S51-V55 PolarHBondContact O-N 3.19Å; V52-V55 WeakPolarHBondContact O-CB 3.31Å; V52-V55 PolarHBondContact O-N 3.22Å; L53-V55 PolarHBondContact O-N 3.47Å; V55-I58 PolarHBondContact O-N 2.88Å; V55-A59 VanDerWaalsContact O-CB 3.3Å; V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.44Å; V55-L89 HydrophobicContact CG1-CD2 4.38Å; V55-L92 HydrophobicContact CG1-CB 4.42Å; V55-L92 HydrophobicContact CG1-CD2 4.23Å; V55-L92 HydrophobicContact CG1-CG 4.34Å; V55-L92 HydrophobicContact CG2-CD2 4.02Å; V55-L92 HydrophobicContact CG2-CG 3.81Å; V55-E93 HydrophobicContact CG1-CB 4.31Å; V55-A96 HydrophobicContact CG2-CB 3.97Å |
| 56 | Y | 94.1 | Very high | 85.5 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 175.4 | -78.7 | -76.7 | 0 | 0 | 0 | 112.3 | V52 L53 A59 A60 E93 V413 | V52-Y56 HydrophobicContact CG1-CD2 3.92Å; V52-Y56 HydrophobicContact CG1-CE2 3.54Å; V52-Y56 WeakPolarHBondContact O-CD2 3.38Å; V52-Y56 PolarHBondContact O-N 2.87Å; L53-Y56 WeakPolarHBondContact O-CB 3.44Å; L53-Y56 PolarHBondContact O-N 3.24Å; L53-Y56 VanDerWaalsContact O-N 3.09Å; Y56-A59 PolarHBondContact O-N 2.94Å; Y56-A60 WeakPolarHBondContact O-CB 3.43Å; Y56-A60 PolarHBondContact O-N 3.25Å; Y56-E93 PolarHBondContact OH-OE1 2.84Å; Y56-V413 HydrophobicContact CE1-CG2 4.25Å |
| 57 | D | 94.9 | Very high | 88 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 56% | 0.556 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.4 | -39.9 | 176.6 | -73.1 | -24.3 | 0 | 0 | 0 | 112.1 | L53 D54 A60 S61 | L53-D57 PolarHBondContact O-N 3.09Å; D54-D57 PolarHBondContact O-N 3.43Å; D57-A60 PolarHBondContact O-N 3.49Å; D57-S61 WeakPolarHBondContact O-CB 3.5Å; D57-S61 PolarHBondContact O-N 3.5Å; D57-S61 PolarHBondContact O-OG 3.37Å |
| 58 | I | 93.5 | Very high | 90.2 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 35% | 0.349 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 172.5 | -68.1 | 162.5 | 0 | 0 | 0 | 110.1 | I50 D54 V55 A60 S61 I62 L89 | I50-I58 HydrophobicContact CD1-CD1 3.81Å; D54-I58 WeakPolarHBondContact O-CB 3.27Å; D54-I58 WeakPolarHBondContact O-CD1 3.45Å; D54-I58 WeakPolarHBondContact O-CG1 3.08Å; D54-I58 PolarHBondContact O-N 2.87Å; V55-I58 PolarHBondContact O-N 2.88Å; I58-A60 VanDerWaalsContact C-N 3.34Å; I58-A60 PolarHBondContact O-N 2.92Å; I58-S61 PolarHBondContact O-N 3Å; I58-I62 HydrophobicContact CG2-CD1 3.68Å; I58-I62 HydrophobicContact CG2-CG1 4.39Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.21Å; I58-I62 PolarHBondContact O-N 3.27Å; I58-L89 HydrophobicContact CG2-CD2 4.3Å |
| 59 | A | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V55 Y56 I62 G63 L89 | V55-A59 VanDerWaalsContact O-CB 3.3Å; V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.44Å; Y56-A59 PolarHBondContact O-N 2.94Å; A59-I62 PolarHBondContact O-N 2.85Å; A59-G63 PolarHBondContact O-N 3.17Å; A59-L89 HydrophobicContact CB-CD1 3.83Å; A59-L89 HydrophobicContact CB-CD2 4.33Å |
| 60 | A | 93.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y56 D57 I58 G63 K64 | Y56-A60 WeakPolarHBondContact O-CB 3.43Å; Y56-A60 PolarHBondContact O-N 3.25Å; D57-A60 PolarHBondContact O-N 3.49Å; I58-A60 VanDerWaalsContact C-N 3.34Å; I58-A60 PolarHBondContact O-N 2.92Å; A60-G63 PolarHBondContact O-N 3.41Å; A60-K64 WeakPolarHBondContact O-CG 3.4Å; A60-K64 PolarHBondContact O-N 3.26Å; A60-K64 VanDerWaalsContact O-N 3.15Å |
| 61 | S | 94.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | D57 I58 G63 K64 E65 | D57-S61 WeakPolarHBondContact O-CB 3.5Å; D57-S61 PolarHBondContact O-N 3.5Å; D57-S61 PolarHBondContact O-OG 3.37Å; I58-S61 PolarHBondContact O-N 3Å; S61-G63 VanDerWaalsContact C-N 3.33Å; S61-G63 PolarHBondContact O-N 3.19Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-E65 PolarHBondContact O-N 3.14Å |
| 62 | I | 94 | Very high | 93.4 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174.5 | -68.9 | 169 | 0 | 0 | 0 | 111.2 | I58 A59 K64 E65 F66 V85 L89 | I58-I62 HydrophobicContact CG2-CD1 3.68Å; I58-I62 HydrophobicContact CG2-CG1 4.39Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.21Å; I58-I62 PolarHBondContact O-N 3.27Å; A59-I62 PolarHBondContact O-N 2.85Å; I62-K64 PolarHBondContact O-N 3.5Å; I62-E65 PolarHBondContact O-N 2.96Å; I62-F66 HydrophobicContact CG2-CD2 3.67Å; I62-F66 HydrophobicContact CG2-CE2 3.39Å; I62-F66 HydrophobicContact CG2-CZ 4.2Å; I62-F66 PolarHBondContact O-N 3.35Å; I62-V85 HydrophobicContact CD1-CG1 4.43Å; I62-V85 HydrophobicContact CG2-CG1 3.92Å; I62-L89 HydrophobicContact CD1-CD1 4.42Å; I62-L89 HydrophobicContact CD1-CD2 4.25Å |
| 63 | G | 93.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 73.8 Ų | 73.8 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A59 A60 S61 E65 F66 E67 | A59-G63 PolarHBondContact O-N 3.17Å; A60-G63 PolarHBondContact O-N 3.41Å; S61-G63 VanDerWaalsContact C-N 3.33Å; S61-G63 PolarHBondContact O-N 3.19Å; G63-E65 VanDerWaalsContact C-N 3.34Å; G63-E65 PolarHBondContact O-N 3.04Å; G63-F66 PolarHBondContact O-N 3.41Å; G63-E67 PolarHBondContact O-N 2.92Å |
| 64 | K | 94.1 | Very high | 93.4 | Very high | 146 Ų | 146 | 68.8 Ų | 68.8 | 64% | 0.635 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 175.3 | -71.3 | 176.2 | -179.4 | 176.2 | 0 | 112.8 | A60 S61 I62 E67 S68 | A60-K64 WeakPolarHBondContact O-CG 3.4Å; A60-K64 PolarHBondContact O-N 3.26Å; A60-K64 VanDerWaalsContact O-N 3.15Å; S61-K64 PolarHBondContact O-N 3.42Å; I62-K64 PolarHBondContact O-N 3.5Å; K64-E67 PolarHBondContact O-N 3.04Å; K64-S68 PolarHBondContact O-N 3.33Å |
| 65 | E | 94.3 | Very high | 93.2 | Very high | 124 Ų | 124 | 69.6 Ų | 69.6 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.4 | -40.3 | 175.6 | -66.8 | -59.3 | 148.3 | 0 | 0 | 111.3 | S61 I62 G63 S68 I69 | S61-E65 PolarHBondContact O-N 3.14Å; I62-E65 PolarHBondContact O-N 2.96Å; G63-E65 VanDerWaalsContact C-N 3.34Å; G63-E65 PolarHBondContact O-N 3.04Å; E65-S68 PolarHBondContact O-N 3.47Å; E65-I69 VanDerWaalsContact O-CG1 3.27Å; E65-I69 WeakPolarHBondContact O-CG1 3.49Å; E65-I69 PolarHBondContact O-N 2.87Å |
| 66 | F | 94 | Very high | 93.1 | Very high | 16 Ų | 16 | 79.5 Ų | 79.5 | 7% | 0.07 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 174 | -75.5 | -42.5 | 0 | 0 | 0 | 112.9 | I62 G63 I69 I70 V78 L81 M82 V85 | I62-F66 HydrophobicContact CG2-CD2 3.67Å; I62-F66 HydrophobicContact CG2-CE2 3.39Å; I62-F66 HydrophobicContact CG2-CZ 4.2Å; I62-F66 PolarHBondContact O-N 3.35Å; G63-F66 PolarHBondContact O-N 3.41Å; F66-I69 HydrophobicContact CD1-CD1 4.44Å; F66-I69 PolarHBondContact O-N 3.47Å; F66-I70 WeakPolarHBondContact O-CB 3.32Å; F66-I70 WeakPolarHBondContact O-CD1 3.48Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.32Å; F66-V78 HydrophobicContact CB-CG1 4.43Å; F66-V78 HydrophobicContact CD1-CB 4.33Å; F66-V78 HydrophobicContact CD1-CG1 3.11Å; F66-V78 HydrophobicContact CD1-CG2 4.23Å; F66-V78 HydrophobicContact CE1-CG1 3.26Å; F66-V78 HydrophobicContact CG-CG1 3.84Å; F66-V78 HydrophobicContact CZ-CG1 4.07Å; F66-L81 HydrophobicContact CE1-CD2 4.01Å; F66-L81 HydrophobicContact CE1-CG 4.35Å; F66-L81 HydrophobicContact CZ-CD2 4.38Å; F66-L81 HydrophobicContact CZ-CG 4.32Å; F66-M82 HydrophobicContact CB-CE 4.36Å; F66-M82 HydrophobicContact CD2-CE 4.37Å; F66-M82 HydrophobicContact CG-CE 4.31Å; F66-V85 HydrophobicContact CE2-CB 4.21Å; F66-V85 HydrophobicContact CE2-CG1 4.03Å; F66-V85 HydrophobicContact CE2-CG2 4.44Å; F66-V85 HydrophobicContact CZ-CB 4.17Å; F66-V85 HydrophobicContact CZ-CG1 4.32Å; F66-V85 HydrophobicContact CZ-CG2 3.92Å |
| 67 | E | 92.3 | Very high | 92.8 | Very high | 89 Ų | 89 | 79.5 Ų | 79.5 | 42% | 0.416 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.8 | -50.3 | 172.8 | -171.6 | 175.9 | -163.8 | 0 | 0 | 111 | G63 K64 I69 I70 D71 | G63-E67 PolarHBondContact O-N 2.92Å; K64-E67 PolarHBondContact O-N 3.04Å; E67-I69 VanDerWaalsContact C-N 3.27Å; E67-I69 PolarHBondContact O-N 2.89Å; E67-I70 PolarHBondContact O-N 3.33Å; E67-I70 VanDerWaalsContact O-N 3.13Å; E67-D71 PolarHBondContact O-N 2.8Å |
| 68 | S | 93.1 | Very high | 92.6 | Very high | 40 Ų | 40 | 74.7 Ų | 74.7 | 28% | 0.28 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.5 | -34.6 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 113.7 | K64 E65 K72 | K64-S68 PolarHBondContact O-N 3.33Å; E65-S68 PolarHBondContact O-N 3.47Å; S68-K72 WeakPolarHBondContact O-CD 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.34Å; S68-K72 PolarHBondContact O-N 2.84Å; S68-K72 PolarHBondContact OG-NZ 2.67Å |
| 69 | I | 92.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 74.8 Ų | 74.8 | 32% | 0.323 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.2 | -41.8 | 176.8 | -65.5 | 164 | 0 | 0 | 0 | 111 | E65 F66 E67 D71 K72 Y73 V78 | E65-I69 VanDerWaalsContact O-CG1 3.27Å; E65-I69 WeakPolarHBondContact O-CG1 3.49Å; E65-I69 PolarHBondContact O-N 2.87Å; F66-I69 HydrophobicContact CD1-CD1 4.44Å; F66-I69 PolarHBondContact O-N 3.47Å; E67-I69 VanDerWaalsContact C-N 3.27Å; E67-I69 PolarHBondContact O-N 2.89Å; I69-D71 VanDerWaalsContact C-N 3.32Å; I69-K72 PolarHBondContact O-N 2.95Å; I69-Y73 HydrophobicContact CG2-CD2 4.28Å; I69-Y73 PolarHBondContact O-N 2.97Å; I69-V78 HydrophobicContact CB-CG2 4.06Å; I69-V78 HydrophobicContact CG2-CG2 3.48Å; I69-V78 VanDerWaalsContact CG2-CG2 3.48Å |
| 70 | I | 92.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 81.1 Ų | 81.1 | 16% | 0.159 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 177.7 | -69.1 | 164.7 | 0 | 0 | 0 | 109.8 | F66 E67 K72 G74 P75 V78 M82 F421 | F66-I70 WeakPolarHBondContact O-CB 3.32Å; F66-I70 WeakPolarHBondContact O-CD1 3.48Å; F66-I70 WeakPolarHBondContact O-CG1 3.34Å; F66-I70 PolarHBondContact O-N 3.32Å; E67-I70 PolarHBondContact O-N 3.33Å; E67-I70 VanDerWaalsContact O-N 3.13Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 2.87Å; I70-G74 WeakPolarHBondContact O-CA 3.4Å; I70-G74 PolarHBondContact O-N 3.13Å; I70-P75 HydrophobicContact CG2-CB 4.37Å; I70-V78 HydrophobicContact CG1-CG2 4.08Å; I70-M82 HydrophobicContact CD1-CE 4.27Å; I70-F421 HydrophobicContact CD1-CE1 4.49Å |
| 71 | D | 93.4 | Very high | 92.1 | Very high | 120 Ų | 120 | 83.9 Ų | 83.9 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.3 | -34.9 | 177.7 | -72.8 | -13.1 | 0 | 0 | 0 | 113 | E67 I69 | E67-D71 PolarHBondContact O-N 2.8Å; I69-D71 VanDerWaalsContact C-N 3.32Å |
| 72 | K | 93.8 | Very high | 91.9 | Very high | 146 Ų | 146 | 81.4 Ų | 81.4 | 64% | 0.635 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -90.1 | -39.6 | -175.4 | -72.5 | 171.2 | -175.8 | 152.1 | 0 | 114.3 | S68 I69 I70 | S68-K72 WeakPolarHBondContact O-CD 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.34Å; S68-K72 PolarHBondContact O-N 2.84Å; S68-K72 PolarHBondContact OG-NZ 2.67Å; I69-K72 PolarHBondContact O-N 2.95Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 2.87Å |
| 73 | Y | 92.9 | Very high | 91.8 | Very high | 171 Ų | 171 | 82.4 Ų | 82.4 | 67% | 0.671 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -121.4 | 3 | -169.3 | -60.2 | -83 | 0 | 0 | 0 | 113.3 | I69 S77 | I69-Y73 HydrophobicContact CG2-CD2 4.28Å; I69-Y73 PolarHBondContact O-N 2.97Å; Y73-S77 WeakPolarHBondContact CB-OG 3.33Å; Y73-S77 PolarHBondContact O-OG 3.3Å; Y73-S77 VanDerWaalsContact O-OG 3.1Å |
| 74 | G | 88.2 | Confident | 91.9 | Very high | 24 Ų | 24 | 88.8 Ų | 88.8 | 25% | 0.247 | 45% | 0.447 | C | S | . | . | trans | 75.6 | 166.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I70 Y76 S77 | I70-G74 WeakPolarHBondContact O-CA 3.4Å; I70-G74 PolarHBondContact O-N 3.13Å; G74-Y76 VanDerWaalsContact C-N 3.32Å; G74-Y76 PolarHBondContact O-N 3.46Å; G74-S77 PolarHBondContact O-N 2.92Å | ||
| 75 | P | 88.9 | Confident | 91.9 | Very high | 79 Ų | 79 | 83.4 Ų | 83.4 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -68.8 | -26.8 | -169.6 | 26.9 | -35.7 | 0 | 0 | 0 | 114 | I70 S77 V78 S79 | I70-P75 HydrophobicContact CG2-CB 4.37Å; P75-S77 PolarHBondContact O-N 2.91Å; P75-V78 PolarHBondContact O-N 3.41Å; P75-S79 PolarHBondContact O-N 3.06Å |
| 76 | Y | 90.2 | Very high | 91.9 | Very high | 209 Ų | 209 | 78.7 Ų | 78.7 | 82% | 0.82 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -61.8 | -25.4 | -179.8 | -60.2 | -73.8 | 0 | 0 | 0 | 113.5 | G74 V78 | G74-Y76 VanDerWaalsContact C-N 3.32Å; G74-Y76 PolarHBondContact O-N 3.46Å; Y76-V78 PolarHBondContact O-N 2.99Å |
| 77 | S | 89.8 | Confident | 91.9 | Very high | 71 Ų | 71 | 80.6 Ų | 80.6 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -66.5 | -25.5 | -179.8 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | Y73 G74 P75 | Y73-S77 WeakPolarHBondContact CB-OG 3.33Å; Y73-S77 PolarHBondContact O-OG 3.3Å; Y73-S77 VanDerWaalsContact O-OG 3.1Å; G74-S77 PolarHBondContact O-N 2.92Å; P75-S77 PolarHBondContact O-N 2.91Å |
| 78 | V | 90.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.018 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -16.9 | -173.1 | -166.1 | 0 | 0 | 0 | 0 | 112.8 | F66 I69 I70 P75 Y76 N80 L81 M82 | F66-V78 HydrophobicContact CB-CG1 4.43Å; F66-V78 HydrophobicContact CD1-CB 4.33Å; F66-V78 HydrophobicContact CD1-CG1 3.11Å; F66-V78 HydrophobicContact CD1-CG2 4.23Å; F66-V78 HydrophobicContact CE1-CG1 3.26Å; F66-V78 HydrophobicContact CG-CG1 3.84Å; F66-V78 HydrophobicContact CZ-CG1 4.07Å; I69-V78 HydrophobicContact CB-CG2 4.06Å; I69-V78 HydrophobicContact CG2-CG2 3.48Å; I69-V78 VanDerWaalsContact CG2-CG2 3.48Å; I70-V78 HydrophobicContact CG1-CG2 4.08Å; P75-V78 PolarHBondContact O-N 3.41Å; Y76-V78 PolarHBondContact O-N 2.99Å; V78-N80 PolarHBondContact O-N 3.33Å; V78-L81 PolarHBondContact O-N 3.41Å; V78-M82 HydrophobicContact CB-CE 4.34Å; V78-M82 HydrophobicContact CG1-CB 4.04Å; V78-M82 HydrophobicContact CG1-CE 3.68Å; V78-M82 PolarHBondContact O-N 3.26Å |
| 79 | S | 88.7 | Confident | 92.2 | Very high | 69 Ų | 69 | 79 Ų | 79 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -33.3 | -172.6 | -170.1 | 0 | 0 | 0 | 0 | 115.5 | P75 P83 | P75-S79 PolarHBondContact O-N 3.06Å; S79-P83 WeakPolarHBondContact O-CD 3.46Å |
| 80 | N | 90.3 | Very high | 92.2 | Very high | 135 Ų | 135 | 79.2 Ų | 79.2 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -20.9 | -179.9 | -69.6 | -24.8 | 0 | 0 | 0 | 113.9 | V78 | V78-N80 PolarHBondContact O-N 3.33Š|
| 81 | L | 92.4 | Very high | 92.3 | Very high | 92 Ų | 92 | 83.3 Ų | 83.3 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -40.8 | -178.6 | 177.5 | 58.8 | 0 | 0 | 0 | 111 | F66 V78 K84 V85 | F66-L81 HydrophobicContact CE1-CD2 4.01Å; F66-L81 HydrophobicContact CE1-CG 4.35Å; F66-L81 HydrophobicContact CZ-CD2 4.38Å; F66-L81 HydrophobicContact CZ-CG 4.32Å; V78-L81 PolarHBondContact O-N 3.41Å; L81-K84 WeakPolarHBondContact O-CB 3.48Å; L81-K84 PolarHBondContact O-N 3.07Å; L81-V85 HydrophobicContact CD1-CG2 4.08Å; L81-V85 HydrophobicContact CG-CG2 4.14Å; L81-V85 PolarHBondContact O-N 3.4Å |
| 82 | M | 90.1 | Very high | 92.3 | Very high | 19 Ų | 19 | 80 Ų | 80 | 9% | 0.094 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | -174.5 | 173.9 | -174.6 | -65.6 | 0 | 0 | 114.5 | F66 I70 V78 K84 V85 I86 F421 | F66-M82 HydrophobicContact CB-CE 4.36Å; F66-M82 HydrophobicContact CD2-CE 4.37Å; F66-M82 HydrophobicContact CG-CE 4.31Å; I70-M82 HydrophobicContact CD1-CE 4.27Å; V78-M82 HydrophobicContact CB-CE 4.34Å; V78-M82 HydrophobicContact CG1-CB 4.04Å; V78-M82 HydrophobicContact CG1-CE 3.68Å; V78-M82 PolarHBondContact O-N 3.26Å; M82-K84 PolarHBondContact O-N 3Å; M82-V85 PolarHBondContact O-N 3.43Å; M82-V85 VanDerWaalsContact O-N 3.13Å; M82-I86 HydrophobicContact CG-CD1 3.83Å; M82-I86 HydrophobicContact CG-CG1 4.38Å; M82-I86 VanDerWaalsContact O-CG1 3.3Å; M82-I86 WeakPolarHBondContact O-CG1 3.24Å; M82-I86 PolarHBondContact O-N 3.45Å; M82-F421 HydrophobicContact CE-CE1 3.88Å; M82-F421 HydrophobicContact CE-CE2 4.22Å; M82-F421 HydrophobicContact CE-CZ 3.28Å; M82-F421 HydrophobicContact SD-CE1 3.84Å; M82-F421 HydrophobicContact SD-CE2 3.35Å; M82-F421 WeakPolarHBondContact SD-CE2 3.43Å; M82-F421 HydrophobicContact SD-CZ 2.98Å; M82-F421 WeakPolarHBondContact SD-CZ 3.37Å |
| 83 | P | 92.6 | Very high | 92.3 | Very high | 71 Ų | 71 | 74.3 Ų | 74.3 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.4 | -36.6 | 174.1 | -25.2 | 34.9 | 0 | 0 | 0 | 112.5 | S79 I86 S87 | S79-P83 WeakPolarHBondContact O-CD 3.46Å; P83-I86 PolarHBondContact O-N 3.13Å; P83-S87 PolarHBondContact O-N 2.89Å; P83-S87 PolarHBondContact O-OG 3.43Å; P83-S87 VanDerWaalsContact O-OG 3.05Å |
| 84 | K | 94.4 | Very high | 92.3 | Very high | 147 Ų | 147 | 70.4 Ų | 70.4 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.9 | -40.8 | 177.6 | -58.4 | -177.7 | -180 | -174.5 | 0 | 111.9 | L81 M82 S87 V88 | L81-K84 WeakPolarHBondContact O-CB 3.48Å; L81-K84 PolarHBondContact O-N 3.07Å; M82-K84 PolarHBondContact O-N 3Å; K84-S87 PolarHBondContact O-N 3.46Å; K84-V88 WeakPolarHBondContact O-CG2 3.43Å; K84-V88 PolarHBondContact O-N 3.22Å |
| 85 | V | 95.2 | Very high | 92.5 | Very high | 32 Ų | 32 | 75.6 Ų | 75.6 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 176.7 | 174.9 | 0 | 0 | 0 | 0 | 111 | I62 F66 L81 M82 V88 L89 | I62-V85 HydrophobicContact CD1-CG1 4.43Å; I62-V85 HydrophobicContact CG2-CG1 3.92Å; F66-V85 HydrophobicContact CE2-CB 4.21Å; F66-V85 HydrophobicContact CE2-CG1 4.03Å; F66-V85 HydrophobicContact CE2-CG2 4.44Å; F66-V85 HydrophobicContact CZ-CB 4.17Å; F66-V85 HydrophobicContact CZ-CG1 4.32Å; F66-V85 HydrophobicContact CZ-CG2 3.92Å; L81-V85 HydrophobicContact CD1-CG2 4.08Å; L81-V85 HydrophobicContact CG-CG2 4.14Å; L81-V85 PolarHBondContact O-N 3.4Å; M82-V85 PolarHBondContact O-N 3.43Å; M82-V85 VanDerWaalsContact O-N 3.13Å; V85-V88 PolarHBondContact O-N 2.95Å; V85-L89 HydrophobicContact CG1-CD1 4.03Å; V85-L89 HydrophobicContact CG1-CG 4.38Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 WeakPolarHBondContact O-CG 3.39Å; V85-L89 PolarHBondContact O-N 2.83Å |
| 86 | I | 93.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 71.8 Ų | 71.8 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 172.1 | -67.2 | 168.2 | 0 | 0 | 0 | 109.9 | M82 P83 V88 L89 E90 F417 | M82-I86 HydrophobicContact CG-CD1 3.83Å; M82-I86 HydrophobicContact CG-CG1 4.38Å; M82-I86 VanDerWaalsContact O-CG1 3.3Å; M82-I86 WeakPolarHBondContact O-CG1 3.24Å; M82-I86 PolarHBondContact O-N 3.45Å; P83-I86 PolarHBondContact O-N 3.13Å; I86-V88 VanDerWaalsContact C-N 3.3Å; I86-V88 PolarHBondContact O-N 3.39Å; I86-L89 CarbonylContact O-C 3.6Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-L89 VanDerWaalsContact O-N 3.11Å; I86-E90 HydrophobicContact CG2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.47Å; I86-E90 VanDerWaalsContact O-CG 3.3Å; I86-E90 WeakPolarHBondContact O-CG 3.33Å; I86-E90 PolarHBondContact O-N 3.48Å; I86-F417 HydrophobicContact CD1-CB 4.01Å; I86-F417 HydrophobicContact CD1-CD2 4.08Å; I86-F417 HydrophobicContact CD1-CG 3.97Å; I86-F417 HydrophobicContact CG1-CD2 3.79Å; I86-F417 HydrophobicContact CG1-CE2 4.11Å; I86-F417 HydrophobicContact CG1-CG 4.17Å |
| 87 | S | 94.6 | Very high | 92.7 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 176.7 | -60.4 | 0 | 0 | 0 | 0 | 113 | P83 K84 E90 E91 | P83-S87 PolarHBondContact O-N 2.89Å; P83-S87 PolarHBondContact O-OG 3.43Å; P83-S87 VanDerWaalsContact O-OG 3.05Å; K84-S87 PolarHBondContact O-N 3.46Å; S87-E90 PolarHBondContact O-N 3.12Å; S87-E91 WeakPolarHBondContact O-CG 3.43Å; S87-E91 PolarHBondContact O-N 3.37Å |
| 88 | V | 96.3 | Very high | 92.7 | Very high | 90 Ų | 90 | 64.6 Ų | 64.6 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | K84 V85 I86 E91 L92 | K84-V88 WeakPolarHBondContact O-CG2 3.43Å; K84-V88 PolarHBondContact O-N 3.22Å; V85-V88 PolarHBondContact O-N 2.95Å; I86-V88 VanDerWaalsContact C-N 3.3Å; I86-V88 PolarHBondContact O-N 3.39Å; V88-E91 PolarHBondContact O-N 2.91Å; V88-L92 WeakPolarHBondContact O-CB 3.36Å; V88-L92 PolarHBondContact O-N 3.17Å |
| 89 | L | 95.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 176.1 | -72.2 | 171.3 | 0 | 0 | 0 | 112 | V55 I58 A59 I62 V85 I86 L92 E93 V413 F417 | V55-L89 HydrophobicContact CG1-CD2 4.38Å; I58-L89 HydrophobicContact CG2-CD2 4.3Å; A59-L89 HydrophobicContact CB-CD1 3.83Å; A59-L89 HydrophobicContact CB-CD2 4.33Å; I62-L89 HydrophobicContact CD1-CD1 4.42Å; I62-L89 HydrophobicContact CD1-CD2 4.25Å; V85-L89 HydrophobicContact CG1-CD1 4.03Å; V85-L89 HydrophobicContact CG1-CG 4.38Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 WeakPolarHBondContact O-CG 3.39Å; V85-L89 PolarHBondContact O-N 2.83Å; I86-L89 CarbonylContact O-C 3.6Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-L89 VanDerWaalsContact O-N 3.11Å; L89-L92 PolarHBondContact O-N 3.5Å; L89-E93 WeakPolarHBondContact O-CB 3.23Å; L89-E93 PolarHBondContact O-N 2.82Å; L89-V413 HydrophobicContact CB-CG1 4.19Å; L89-V413 HydrophobicContact CD1-CG1 4.32Å; L89-F417 HydrophobicContact CD1-CE2 4.08Å; L89-F417 HydrophobicContact CD1-CZ 4.42Å |
| 90 | E | 93 | Very high | 92.7 | Very high | 67 Ų | 67 | 69 Ų | 69 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | 172.6 | -73.6 | 172.9 | 164.6 | 0 | 0 | 110.8 | I86 S87 L92 E93 D94 | I86-E90 HydrophobicContact CG2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.47Å; I86-E90 VanDerWaalsContact O-CG 3.3Å; I86-E90 WeakPolarHBondContact O-CG 3.33Å; I86-E90 PolarHBondContact O-N 3.48Å; S87-E90 PolarHBondContact O-N 3.12Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.3Å; E90-E93 PolarHBondContact O-N 2.94Å; E90-D94 PolarHBondContact O-N 3.45Å |
| 91 | E | 94.4 | Very high | 92.6 | Very high | 118 Ų | 118 | 65 Ų | 65 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.8 | -41.5 | 173.6 | -74.7 | 178.8 | -165.8 | 0 | 0 | 111.3 | S87 V88 D94 F95 | S87-E91 WeakPolarHBondContact O-CG 3.43Å; S87-E91 PolarHBondContact O-N 3.37Å; V88-E91 PolarHBondContact O-N 2.91Å; E91-D94 WeakPolarHBondContact O-CB 3.39Å; E91-D94 PolarHBondContact O-N 3.49Å; E91-F95 HydrophobicContact CB-CE2 4.36Å; E91-F95 WeakPolarHBondContact O-CD2 3.5Å; E91-F95 PolarHBondContact O-N 3.32Å |
| 92 | L | 94.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 65.7 Ų | 65.7 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 178.4 | -170.1 | 64.3 | 0 | 0 | 0 | 112.6 | I50 V55 V88 L89 E90 D94 F95 A96 | I50-L92 HydrophobicContact CD1-CD1 4.19Å; I50-L92 HydrophobicContact CD1-CD2 3.89Å; I50-L92 HydrophobicContact CD1-CG 4.23Å; V55-L92 HydrophobicContact CG1-CB 4.42Å; V55-L92 HydrophobicContact CG1-CD2 4.23Å; V55-L92 HydrophobicContact CG1-CG 4.34Å; V55-L92 HydrophobicContact CG2-CD2 4.02Å; V55-L92 HydrophobicContact CG2-CG 3.81Å; V88-L92 WeakPolarHBondContact O-CB 3.36Å; V88-L92 PolarHBondContact O-N 3.17Å; L89-L92 PolarHBondContact O-N 3.5Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.3Å; L92-D94 VanDerWaalsContact C-N 3.34Å; L92-F95 PolarHBondContact O-N 3.32Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.4Å |
| 93 | E | 93.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 66 Ų | 66 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 171.9 | -178.6 | 174.1 | -156.9 | 0 | 0 | 110.5 | V55 Y56 L89 E90 F95 A96 T97 | V55-E93 HydrophobicContact CG1-CB 4.31Å; Y56-E93 PolarHBondContact OH-OE1 2.84Å; L89-E93 WeakPolarHBondContact O-CB 3.23Å; L89-E93 PolarHBondContact O-N 2.82Å; E90-E93 PolarHBondContact O-N 2.94Å; E93-F95 PolarHBondContact O-N 3.27Å; E93-A96 PolarHBondContact O-N 2.87Å; E93-T97 HydrophobicContact CG-CG2 4.39Å; E93-T97 WeakPolarHBondContact O-CB 3.24Å; E93-T97 VanDerWaalsContact O-CG2 3.25Å; E93-T97 WeakPolarHBondContact O-CG2 3.39Å; E93-T97 PolarHBondContact O-N 3.4Å; E93-T97 PolarHBondContact O-OG1 3.32Å |
| 94 | D | 92.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 174.9 | -80.9 | -11.9 | 0 | 0 | 0 | 112.2 | E90 E91 L92 T97 K98 | E90-D94 PolarHBondContact O-N 3.45Å; E91-D94 WeakPolarHBondContact O-CB 3.39Å; E91-D94 PolarHBondContact O-N 3.49Å; L92-D94 VanDerWaalsContact C-N 3.34Å; D94-T97 WeakPolarHBondContact CA-OG1 3.48Å; D94-T97 PolarHBondContact O-OG1 2.92Å; D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 WeakPolarHBondContact O-CD 3.45Å; D94-K98 WeakPolarHBondContact O-CG 3.35Å; D94-K98 PolarHBondContact O-N 3.42Å |
| 95 | F | 92.1 | Very high | 92.1 | Very high | 133 Ų | 133 | 67.2 Ų | 67.2 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.9 | -44.1 | 175.4 | -77.3 | -64.8 | 0 | 0 | 0 | 112.2 | E91 L92 E93 K98 F99 | E91-F95 HydrophobicContact CB-CE2 4.36Å; E91-F95 WeakPolarHBondContact O-CD2 3.5Å; E91-F95 PolarHBondContact O-N 3.32Å; L92-F95 PolarHBondContact O-N 3.32Å; E93-F95 PolarHBondContact O-N 3.27Å; F95-K98 PolarHBondContact O-N 2.93Å; F95-F99 WeakPolarHBondContact O-CB 3.32Å; F95-F99 PolarHBondContact O-N 3.11Å |
| 96 | A | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V52 V55 L92 E93 F99 E100 | V52-A96 HydrophobicContact CG2-CB 3.96Å; V55-A96 HydrophobicContact CG2-CB 3.97Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.4Å; E93-A96 PolarHBondContact O-N 2.87Å; A96-F99 PolarHBondContact O-N 2.99Å; A96-E100 WeakPolarHBondContact O-CG 3.34Å; A96-E100 PolarHBondContact O-N 2.9Å |
| 97 | T | 90.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 73.6 Ų | 73.6 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | V52 E93 D94 E100 S101 | V52-T97 HydrophobicContact CG2-CG2 3.47Å; V52-T97 VanDerWaalsContact CG2-CG2 3.47Å; E93-T97 HydrophobicContact CG-CG2 4.39Å; E93-T97 WeakPolarHBondContact O-CB 3.24Å; E93-T97 VanDerWaalsContact O-CG2 3.25Å; E93-T97 WeakPolarHBondContact O-CG2 3.39Å; E93-T97 PolarHBondContact O-N 3.4Å; E93-T97 PolarHBondContact O-OG1 3.32Å; D94-T97 WeakPolarHBondContact CA-OG1 3.48Å; D94-T97 PolarHBondContact O-OG1 2.92Å; T97-E100 PolarHBondContact O-N 3.47Å; T97-S101 WeakPolarHBondContact O-CB 3.23Å; T97-S101 PolarHBondContact O-N 3.41Å; T97-S101 PolarHBondContact O-OG 2.87Å |
| 98 | K | 91.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 75 Ų | 75 | 48% | 0.478 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 174 | -76.1 | 170.2 | -173 | 170 | 0 | 110.9 | D94 F95 E100 S101 E102 | D94-K98 WeakPolarHBondContact O-CB 3.43Å; D94-K98 WeakPolarHBondContact O-CD 3.45Å; D94-K98 WeakPolarHBondContact O-CG 3.35Å; D94-K98 PolarHBondContact O-N 3.42Å; F95-K98 PolarHBondContact O-N 2.93Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 3.36Å; K98-S101 WeakPolarHBondContact CA-OG 3.36Å; K98-S101 PolarHBondContact O-N 2.89Å; K98-S101 PolarHBondContact O-OG 3.25Å; K98-E102 WeakPolarHBondContact O-CG 3.32Å; K98-E102 PolarHBondContact O-N 3.17Å |
| 99 | F | 89.9 | Confident | 91 | Very high | 104 Ų | 104 | 75.2 Ų | 75.2 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 178 | -175.6 | -93.1 | 0 | 0 | 0 | 112.3 | F95 A96 G103 | F95-F99 WeakPolarHBondContact O-CB 3.32Å; F95-F99 PolarHBondContact O-N 3.11Å; A96-F99 PolarHBondContact O-N 2.99Å; F99-G103 PolarHBondContact O-N 3.13Å |
| 100 | E | 88.4 | Confident | 90.7 | Very high | 59 Ų | 59 | 80.7 Ų | 80.7 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 174.4 | -74.3 | -179.8 | -173.7 | 0 | 0 | 112.8 | V52 A96 T97 K98 R104 | V52-E100 PolarHBondContact N-OE1 3.33Å; A96-E100 WeakPolarHBondContact O-CG 3.34Å; A96-E100 PolarHBondContact O-N 2.9Å; T97-E100 PolarHBondContact O-N 3.47Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 3.36Å; E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.36Å; E100-R104 PolarHBondContact O-NE 2.92Å |
| 101 | S | 89.5 | Confident | 90.3 | Very high | 52 Ų | 52 | 81.7 Ų | 81.7 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.9 | -44.8 | 177.1 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | T97 K98 G103 R104 E105 | T97-S101 WeakPolarHBondContact O-CB 3.23Å; T97-S101 PolarHBondContact O-N 3.41Å; T97-S101 PolarHBondContact O-OG 2.87Å; K98-S101 WeakPolarHBondContact CA-OG 3.36Å; K98-S101 PolarHBondContact O-N 2.89Å; K98-S101 PolarHBondContact O-OG 3.25Å; S101-G103 VanDerWaalsContact C-N 3.35Å; S101-R104 WeakPolarHBondContact O-CB 3.42Å; S101-R104 PolarHBondContact O-N 2.92Å; S101-E105 PolarHBondContact O-N 2.93Å |
| 102 | E | 90.6 | Very high | 90 | Very high | 106 Ų | 106 | 77.9 Ų | 77.9 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.1 | -69.5 | 173.4 | -170.8 | 0 | 0 | 110.5 | K98 R104 E105 I106 | K98-E102 WeakPolarHBondContact O-CG 3.32Å; K98-E102 PolarHBondContact O-N 3.17Å; E102-R104 PolarHBondContact O-N 3.3Å; E102-E105 PolarHBondContact O-N 3.41Å; E102-I106 WeakPolarHBondContact O-CB 3.24Å; E102-I106 WeakPolarHBondContact O-CG1 3.44Å; E102-I106 PolarHBondContact O-N 2.95Å |
| 103 | G | 87.8 | Confident | 89.5 | Confident | 27 Ų | 27 | 79 Ų | 79 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F99 S101 I106 I107 | F99-G103 PolarHBondContact O-N 3.13Å; S101-G103 VanDerWaalsContact C-N 3.35Å; G103-I106 PolarHBondContact O-N 2.96Å; G103-I107 VanDerWaalsContact O-CG1 3.32Å; G103-I107 WeakPolarHBondContact O-CG1 3.41Å; G103-I107 PolarHBondContact O-N 2.93Å; G103-I107 VanDerWaalsContact O-N 3.1Å |
| 104 | R | 88.5 | Confident | 89.1 | Confident | 130 Ų | 130 | 83.2 Ų | 83.2 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 172.8 | -77.7 | -178.4 | -73.2 | -116.4 | -7.6 | 111.4 | E100 S101 E102 I106 I107 T108 | E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.36Å; E100-R104 PolarHBondContact O-NE 2.92Å; S101-R104 WeakPolarHBondContact O-CB 3.42Å; S101-R104 PolarHBondContact O-N 2.92Å; E102-R104 PolarHBondContact O-N 3.3Å; R104-I106 PolarHBondContact O-N 3.36Å; R104-I107 PolarHBondContact O-N 3.13Å; R104-T108 WeakPolarHBondContact O-CG2 3.43Å; R104-T108 PolarHBondContact O-N 2.99Å |
| 105 | E | 91.2 | Very high | 88.9 | Confident | 112 Ų | 112 | 85.3 Ų | 85.3 | 52% | 0.523 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 178.5 | -171.6 | 179.8 | 168.4 | 0 | 0 | 111.5 | S101 E102 I107 T108 L109 | S101-E105 PolarHBondContact O-N 2.93Å; E102-E105 PolarHBondContact O-N 3.41Å; E105-I107 VanDerWaalsContact C-N 3.31Å; E105-I107 PolarHBondContact O-N 3.43Å; E105-T108 WeakPolarHBondContact CA-OG1 3.5Å; E105-T108 PolarHBondContact O-N 3.43Å; E105-T108 PolarHBondContact O-OG1 2.93Å; E105-L109 HydrophobicContact CG-CD1 4.04Å; E105-L109 HydrophobicContact CG-CG 4.31Å; E105-L109 WeakPolarHBondContact O-CB 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.01Å; E105-L109 PolarHBondContact O-N 3.46Å |
| 106 | I | 90.3 | Very high | 88.7 | Confident | 89 Ų | 89 | 82.9 Ų | 82.9 | 46% | 0.456 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.4 | -46.6 | 175.6 | -71 | 164.4 | 0 | 0 | 0 | 110.7 | E102 G103 R104 T108 L109 Q110 | E102-I106 WeakPolarHBondContact O-CB 3.24Å; E102-I106 WeakPolarHBondContact O-CG1 3.44Å; E102-I106 PolarHBondContact O-N 2.95Å; G103-I106 PolarHBondContact O-N 2.96Å; R104-I106 PolarHBondContact O-N 3.36Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 3.28Å; I106-L109 PolarHBondContact O-N 2.98Å; I106-Q110 HydrophobicContact CG2-CG 4.27Å; I106-Q110 VanDerWaalsContact O-CB 3.32Å; I106-Q110 WeakPolarHBondContact O-CB 3.43Å; I106-Q110 WeakPolarHBondContact O-CG 3.35Å; I106-Q110 PolarHBondContact O-N 3.25Å |
| 107 | I | 87.6 | Confident | 88.3 | Confident | 103 Ų | 103 | 88.6 Ų | 88.6 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.6 | -67.1 | 165.1 | 0 | 0 | 0 | 110.9 | G103 R104 E105 T111 | G103-I107 VanDerWaalsContact O-CG1 3.32Å; G103-I107 WeakPolarHBondContact O-CG1 3.41Å; G103-I107 PolarHBondContact O-N 2.93Å; G103-I107 VanDerWaalsContact O-N 3.1Å; R104-I107 PolarHBondContact O-N 3.13Å; E105-I107 VanDerWaalsContact C-N 3.31Å; E105-I107 PolarHBondContact O-N 3.43Å; I107-T111 WeakPolarHBondContact O-CB 3.36Å; I107-T111 PolarHBondContact O-N 3.47Å; I107-T111 PolarHBondContact O-OG1 2.88Å |
| 108 | T | 87.5 | Confident | 87.9 | Confident | 85 Ų | 85 | 92.3 Ų | 92.3 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | R104 E105 I106 T111 A112 | R104-T108 WeakPolarHBondContact O-CG2 3.43Å; R104-T108 PolarHBondContact O-N 2.99Å; E105-T108 WeakPolarHBondContact CA-OG1 3.5Å; E105-T108 PolarHBondContact O-N 3.43Å; E105-T108 PolarHBondContact O-OG1 2.93Å; I106-T108 VanDerWaalsContact C-N 3.34Å; I106-T108 PolarHBondContact O-N 3.28Å; T108-T111 PolarHBondContact O-N 3.33Å; T108-A112 WeakPolarHBondContact O-CB 3.3Å; T108-A112 PolarHBondContact O-N 3.33Å |
| 109 | L | 90.3 | Very high | 87.4 | Confident | 96 Ų | 96 | 90.1 Ų | 90.1 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 177 | -72.6 | 174.7 | 0 | 0 | 0 | 111.3 | E105 I106 T111 A112 V113 | E105-L109 HydrophobicContact CG-CD1 4.04Å; E105-L109 HydrophobicContact CG-CG 4.31Å; E105-L109 WeakPolarHBondContact O-CB 3.28Å; E105-L109 WeakPolarHBondContact O-CG 3.01Å; E105-L109 PolarHBondContact O-N 3.46Å; I106-L109 PolarHBondContact O-N 2.98Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.93Å; L109-A112 PolarHBondContact O-N 3.06Å; L109-V113 WeakPolarHBondContact O-CB 3.42Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.24Å; L109-V113 PolarHBondContact O-N 3Å |
| 110 | Q | 89.5 | Confident | 87.1 | Confident | 119 Ų | 119 | 92.2 Ų | 92.2 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.8 | -44.5 | 173.8 | -76.4 | 174.2 | -17.7 | 0 | 0 | 111.2 | I106 V113 H114 | I106-Q110 HydrophobicContact CG2-CG 4.27Å; I106-Q110 VanDerWaalsContact O-CB 3.32Å; I106-Q110 WeakPolarHBondContact O-CB 3.43Å; I106-Q110 WeakPolarHBondContact O-CG 3.35Å; I106-Q110 PolarHBondContact O-N 3.25Å; Q110-V113 PolarHBondContact O-N 3.15Å; Q110-H114 WeakPolarHBondContact O-CB 3.3Å; Q110-H114 PolarHBondContact O-N 3.43Å |
| 111 | T | 85 | Confident | 86.7 | Confident | 89 Ų | 89 | 94 Ų | 94 | 55% | 0.546 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | I107 T108 L109 H114 R115 | I107-T111 WeakPolarHBondContact O-CB 3.36Å; I107-T111 PolarHBondContact O-N 3.47Å; I107-T111 PolarHBondContact O-OG1 2.88Å; T108-T111 PolarHBondContact O-N 3.33Å; L109-T111 VanDerWaalsContact C-N 3.3Å; L109-T111 PolarHBondContact O-N 2.93Å; T111-H114 PolarHBondContact O-N 3.35Å; T111-R115 WeakPolarHBondContact O-CB 3.26Å; T111-R115 PolarHBondContact O-N 3.49Å |
| 112 | A | 87.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 97 Ų | 97 | 31% | 0.306 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | T108 L109 R115 L116 | T108-A112 WeakPolarHBondContact O-CB 3.3Å; T108-A112 PolarHBondContact O-N 3.33Å; L109-A112 PolarHBondContact O-N 3.06Å; A112-R115 PolarHBondContact O-N 3.02Å; A112-L116 WeakPolarHBondContact O-CB 3.44Å; A112-L116 VanDerWaalsContact O-CG 3.28Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 2.82Å |
| 113 | V | 84.4 | Confident | 86 | Confident | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | L109 Q110 R115 L116 E117 | L109-V113 WeakPolarHBondContact O-CB 3.42Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.24Å; L109-V113 PolarHBondContact O-N 3Å; Q110-V113 PolarHBondContact O-N 3.15Å; V113-R115 VanDerWaalsContact C-N 3.27Å; V113-R115 PolarHBondContact O-N 2.63Å; V113-L116 PolarHBondContact O-N 3.36Å; V113-E117 HydrophobicContact CG1-CG 4.3Å; V113-E117 WeakPolarHBondContact O-CG 3.46Å; V113-E117 PolarHBondContact O-N 2.86Å |
| 114 | H | 85 | Confident | 85.8 | Confident | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -42.1 | 177.4 | -177.7 | -96.8 | 0 | 0 | 0 | 111.9 | Q110 T111 E117 L118 | Q110-H114 WeakPolarHBondContact O-CB 3.3Å; Q110-H114 PolarHBondContact O-N 3.43Å; T111-H114 PolarHBondContact O-N 3.35Å; H114-E117 PolarHBondContact O-N 3.33Å; H114-L118 WeakPolarHBondContact O-CG 3.48Å; H114-L118 PolarHBondContact O-N 2.9Å; H114-L118 VanDerWaalsContact O-N 3.13Å |
| 115 | R | 87.7 | Confident | 85.7 | Confident | 133 Ų | 133 | 100.6 Ų | 100.6 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 174.1 | -172.6 | -168.8 | 67.3 | 72.1 | 2.1 | 112.3 | T111 A112 V113 E117 L118 E119 | T111-R115 WeakPolarHBondContact O-CB 3.26Å; T111-R115 PolarHBondContact O-N 3.49Å; A112-R115 PolarHBondContact O-N 3.02Å; V113-R115 VanDerWaalsContact C-N 3.27Å; V113-R115 PolarHBondContact O-N 2.63Å; R115-E117 VanDerWaalsContact C-N 3.34Å; R115-L118 PolarHBondContact O-N 3.41Å; R115-E119 IonicContact CZ-OE2 3.91Å; R115-E119 IonicContact NH1-OE2 2.82Å; R115-E119 PolarHBondContact NH1-OE2 3.46Å; R115-E119 WeakPolarHBondContact O-CB 3.4Å; R115-E119 PolarHBondContact O-N 3.32Å |
| 116 | L | 87.2 | Confident | 85 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.424 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | -179.9 | -75.7 | 171.4 | 0 | 0 | 0 | 112.6 | A112 V113 K120 | A112-L116 WeakPolarHBondContact O-CB 3.44Å; A112-L116 VanDerWaalsContact O-CG 3.28Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 2.82Å; V113-L116 PolarHBondContact O-N 3.36Å; L116-K120 VanDerWaalsContact O-CB 3.25Å; L116-K120 WeakPolarHBondContact O-CB 3.43Å; L116-K120 PolarHBondContact O-N 2.94Å |
| 117 | E | 85 | Confident | 84.5 | Confident | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 173.9 | -73.8 | 177.9 | 161.4 | 0 | 0 | 111.4 | V113 H114 R115 K120 L121 | V113-E117 HydrophobicContact CG1-CG 4.3Å; V113-E117 WeakPolarHBondContact O-CG 3.46Å; V113-E117 PolarHBondContact O-N 2.86Å; H114-E117 PolarHBondContact O-N 3.33Å; R115-E117 VanDerWaalsContact C-N 3.34Å; E117-K120 PolarHBondContact O-N 2.82Å; E117-L121 PolarHBondContact O-N 3.46Å |
| 118 | L | 80.9 | Confident | 84.4 | Confident | 98 Ų | 98 | 98.7 Ų | 98.7 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 173.3 | -71.2 | 174.5 | 0 | 0 | 0 | 112 | H114 R115 K120 L121 E122 | H114-L118 WeakPolarHBondContact O-CG 3.48Å; H114-L118 PolarHBondContact O-N 2.9Å; H114-L118 VanDerWaalsContact O-N 3.13Å; R115-L118 PolarHBondContact O-N 3.41Å; L118-K120 PolarHBondContact O-N 3.35Å; L118-L121 WeakPolarHBondContact O-CB 3.27Å; L118-L121 PolarHBondContact O-N 2.95Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-E122 PolarHBondContact O-N 3.31Å |
| 119 | E | 81.2 | Confident | 84.2 | Confident | 64 Ų | 64 | 100.3 Ų | 100.3 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -33.6 | 178.2 | -158.7 | -167.2 | 135.9 | 0 | 0 | 111.7 | R115 R123 | R115-E119 IonicContact CZ-OE2 3.91Å; R115-E119 IonicContact NH1-OE2 2.82Å; R115-E119 PolarHBondContact NH1-OE2 3.46Å; R115-E119 WeakPolarHBondContact O-CB 3.4Å; R115-E119 PolarHBondContact O-N 3.32Å; E119-R123 WeakPolarHBondContact O-CB 3.46Å; E119-R123 VanDerWaalsContact O-CG 3.27Å; E119-R123 WeakPolarHBondContact O-CG 3.44Å; E119-R123 PolarHBondContact O-N 2.93Å; E119-R123 PolarHBondContact O-NH1 2.93Å; E119-R123 IonicContact OE1-CZ 3.82Å; E119-R123 VanDerWaalsContact OE1-CZ 3.31Å; E119-R123 IonicContact OE1-NE 2.8Å; E119-R123 PolarHBondContact OE1-NE 3.27Å; E119-R123 VanDerWaalsContact OE1-NE 3.15Å; E119-R123 IonicContact OE1-NH2 2.67Å; E119-R123 PolarHBondContact OE1-NH2 2.73Å; E119-R123 IonicContact OE2-NH2 3.97Å |
| 120 | K | 83.3 | Confident | 83.8 | Confident | 148 Ų | 148 | 101 Ų | 101 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.3 | -39.3 | 173.8 | -176.4 | -176.8 | 175.3 | -173.9 | 0 | 112.4 | L116 E117 L118 R123 K124 | L116-K120 VanDerWaalsContact O-CB 3.25Å; L116-K120 WeakPolarHBondContact O-CB 3.43Å; L116-K120 PolarHBondContact O-N 2.94Å; E117-K120 PolarHBondContact O-N 2.82Å; L118-K120 PolarHBondContact O-N 3.35Å; K120-R123 VanDerWaalsContact CA-NH1 3.32Å; K120-K124 PolarHBondContact O-N 3.34Å |
| 121 | L | 80.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 101.5 Ų | 101.5 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -48 | 176.7 | -170.8 | 152.8 | 0 | 0 | 0 | 110.5 | E117 L118 R123 K124 E125 | E117-L121 PolarHBondContact O-N 3.46Å; L118-L121 WeakPolarHBondContact O-CB 3.27Å; L118-L121 PolarHBondContact O-N 2.95Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L121-R123 PolarHBondContact O-N 2.92Å; L121-K124 WeakPolarHBondContact O-CB 3.32Å; L121-K124 PolarHBondContact O-N 3.06Å; L121-K124 VanDerWaalsContact O-N 3.12Å; L121-E125 HydrophobicContact CD2-CG 4.14Å; L121-E125 VanDerWaalsContact CD2-OE1 3.26Å; L121-E125 WeakPolarHBondContact CD2-OE1 3.35Å; L121-E125 PolarHBondContact O-N 3.34Å |
| 122 | E | 82.1 | Confident | 84.1 | Confident | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 177 | -173.5 | 177.3 | -163.1 | 0 | 0 | 111.6 | L118 K124 E125 D126 | L118-E122 PolarHBondContact O-N 3.31Å; E122-K124 VanDerWaalsContact C-N 3.25Å; E122-K124 PolarHBondContact O-N 3.3Å; E122-E125 WeakPolarHBondContact O-CB 3.4Å; E122-E125 PolarHBondContact O-N 3.45Å; E122-D126 PolarHBondContact O-N 2.94Å |
| 123 | R | 83.4 | Confident | 84.1 | Confident | 106 Ų | 106 | 107 Ų | 107 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.8 | -35.8 | 176 | -75.9 | -171.7 | -113.6 | 95.7 | -8.9 | 113.1 | E119 K120 L121 Q127 | E119-R123 WeakPolarHBondContact O-CB 3.46Å; E119-R123 VanDerWaalsContact O-CG 3.27Å; E119-R123 WeakPolarHBondContact O-CG 3.44Å; E119-R123 PolarHBondContact O-N 2.93Å; E119-R123 PolarHBondContact O-NH1 2.93Å; E119-R123 IonicContact OE1-CZ 3.82Å; E119-R123 VanDerWaalsContact OE1-CZ 3.31Å; E119-R123 IonicContact OE1-NE 2.8Å; E119-R123 PolarHBondContact OE1-NE 3.27Å; E119-R123 VanDerWaalsContact OE1-NE 3.15Å; E119-R123 IonicContact OE1-NH2 2.67Å; E119-R123 PolarHBondContact OE1-NH2 2.73Å; E119-R123 IonicContact OE2-NH2 3.97Å; K120-R123 VanDerWaalsContact CA-NH1 3.32Å; L121-R123 PolarHBondContact O-N 2.92Å; R123-Q127 WeakPolarHBondContact O-CB 3.48Å; R123-Q127 VanDerWaalsContact O-CG 3.24Å; R123-Q127 WeakPolarHBondContact O-CG 3.38Å; R123-Q127 PolarHBondContact O-N 3.13Å |
| 124 | K | 83.5 | Confident | 84.3 | Confident | 132 Ų | 132 | 108.1 Ų | 108.1 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.1 | -38.7 | 176.6 | -175.8 | -175.7 | 176.9 | -173.7 | 0 | 111.5 | K120 L121 E122 N128 | K120-K124 PolarHBondContact O-N 3.34Å; L121-K124 WeakPolarHBondContact O-CB 3.32Å; L121-K124 PolarHBondContact O-N 3.06Å; L121-K124 VanDerWaalsContact O-N 3.12Å; E122-K124 VanDerWaalsContact C-N 3.25Å; E122-K124 PolarHBondContact O-N 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.44Å; K124-N128 PolarHBondContact O-N 3.34Å; K124-N128 PolarHBondContact O-ND2 3.43Å |
| 125 | E | 86.3 | Confident | 84.6 | Confident | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.9 | -71.4 | -177.6 | 168 | 0 | 0 | 111.3 | L121 E122 N128 R129 | L121-E125 HydrophobicContact CD2-CG 4.14Å; L121-E125 VanDerWaalsContact CD2-OE1 3.26Å; L121-E125 WeakPolarHBondContact CD2-OE1 3.35Å; L121-E125 PolarHBondContact O-N 3.34Å; E122-E125 WeakPolarHBondContact O-CB 3.4Å; E122-E125 PolarHBondContact O-N 3.45Å; E125-N128 CarbonylContact O-C 3.58Å; E125-N128 WeakPolarHBondContact O-CB 3.31Å; E125-N128 PolarHBondContact O-N 2.97Å; E125-N128 VanDerWaalsContact O-N 3.15Å; E125-R129 WeakPolarHBondContact O-CG 3.32Å; E125-R129 PolarHBondContact O-N 3.38Å |
| 126 | D | 76.4 | Confident | 84.9 | Confident | 48 Ų | 48 | 106.8 Ų | 106.8 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 175.3 | -68.6 | 9.1 | 0 | 0 | 0 | 111.6 | E122 N128 R129 H130 | E122-D126 PolarHBondContact O-N 2.94Å; D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 3.07Å; D126-R129 PolarHBondContact O-N 2.83Å; D126-R129 VanDerWaalsContact O-N 3.12Å; D126-R129 IonicContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 3.15Å; D126-R129 PolarHBondContact OD1-NH1 3.39Å; D126-R129 IonicContact OD1-NH2 2.61Å; D126-R129 PolarHBondContact OD1-NH2 3.14Å; D126-R129 IonicContact OD2-NH2 2.67Å; D126-H130 PolarHBondContact O-CD2 3.47Å; D126-H130 PolarHBondContact O-N 2.82Å |
| 127 | Q | 80.2 | Confident | 85.1 | Confident | 135 Ų | 135 | 108.3 Ų | 108.3 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.6 | -41.7 | 173.7 | -76.2 | 173.8 | -6.1 | 0 | 0 | 112 | R123 K131 | R123-Q127 WeakPolarHBondContact O-CB 3.48Å; R123-Q127 VanDerWaalsContact O-CG 3.24Å; R123-Q127 WeakPolarHBondContact O-CG 3.38Å; R123-Q127 PolarHBondContact O-N 3.13Å; Q127-K131 VanDerWaalsContact O-CB 3.32Å; Q127-K131 WeakPolarHBondContact O-CB 3.25Å; Q127-K131 PolarHBondContact O-N 2.96Å |
| 128 | N | 84.3 | Confident | 85.5 | Confident | 80 Ų | 80 | 107.3 Ų | 107.3 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 176.2 | -77.4 | -21.3 | 0 | 0 | 0 | 112.4 | K124 E125 D126 K132 | K124-N128 WeakPolarHBondContact O-CB 3.44Å; K124-N128 PolarHBondContact O-N 3.34Å; K124-N128 PolarHBondContact O-ND2 3.43Å; E125-N128 CarbonylContact O-C 3.58Å; E125-N128 WeakPolarHBondContact O-CB 3.31Å; E125-N128 PolarHBondContact O-N 2.97Å; E125-N128 VanDerWaalsContact O-N 3.15Å; D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 3.07Å; N128-K132 WeakPolarHBondContact O-CG 3.43Å; N128-K132 PolarHBondContact O-N 3.36Å; N128-K132 VanDerWaalsContact O-N 3.11Å |
| 129 | R | 85.1 | Confident | 86.1 | Confident | 119 Ų | 119 | 109.1 Ų | 109.1 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 174.9 | -68.4 | -164.3 | -50.6 | -86.8 | 2.6 | 110.8 | E125 D126 K131 K132 E133 | E125-R129 WeakPolarHBondContact O-CG 3.32Å; E125-R129 PolarHBondContact O-N 3.38Å; D126-R129 PolarHBondContact O-N 2.83Å; D126-R129 VanDerWaalsContact O-N 3.12Å; D126-R129 IonicContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 3.15Å; D126-R129 PolarHBondContact OD1-NH1 3.39Å; D126-R129 IonicContact OD1-NH2 2.61Å; D126-R129 PolarHBondContact OD1-NH2 3.14Å; D126-R129 IonicContact OD2-NH2 2.67Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.44Å; R129-K132 PolarHBondContact O-N 3.37Å; R129-K132 VanDerWaalsContact O-N 3.13Å; R129-E133 WeakPolarHBondContact O-CG 3.28Å; R129-E133 PolarHBondContact O-N 2.98Å |
| 130 | H | 81.1 | Confident | 86.8 | Confident | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 177.2 | -67.4 | -43.4 | 0 | 0 | 0 | 113 | D126 E133 L134 | D126-H130 PolarHBondContact O-CD2 3.47Å; D126-H130 PolarHBondContact O-N 2.82Å; H130-E133 IonicContact CE1-OE2 3.41Å; H130-E133 IonicContact ND1-OE2 2.94Å; H130-E133 PolarHBondContact ND1-OE2 2.93Å; H130-E133 PolarHBondContact O-N 2.74Å; H130-L134 WeakPolarHBondContact O-CB 3.36Å; H130-L134 PolarHBondContact O-N 3.46Å |
| 131 | K | 90.1 | Very high | 87.5 | Confident | 129 Ų | 129 | 109.5 Ų | 109.5 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 173.7 | -173.2 | -178.5 | 178.8 | -162.9 | 0 | 111.5 | Q127 R129 L134 E135 | Q127-K131 VanDerWaalsContact O-CB 3.32Å; Q127-K131 WeakPolarHBondContact O-CB 3.25Å; Q127-K131 PolarHBondContact O-N 2.96Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.44Å; K131-L134 PolarHBondContact O-N 3.25Å; K131-E135 WeakPolarHBondContact CE-OE1 3.41Å; K131-E135 IonicContact NZ-OE1 3.66Å; K131-E135 WeakPolarHBondContact O-CG 3.34Å; K131-E135 PolarHBondContact O-N 2.9Å |
| 132 | K | 91 | Very high | 88.2 | Confident | 145 Ų | 145 | 110.3 Ų | 110.3 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 176.9 | -72.1 | 175.9 | 179.2 | -175.5 | 0 | 112.6 | N128 R129 L134 E135 Q136 | N128-K132 WeakPolarHBondContact O-CG 3.43Å; N128-K132 PolarHBondContact O-N 3.36Å; N128-K132 VanDerWaalsContact O-N 3.11Å; R129-K132 PolarHBondContact O-N 3.37Å; R129-K132 VanDerWaalsContact O-N 3.13Å; K132-L134 VanDerWaalsContact C-N 3.31Å; K132-E135 PolarHBondContact O-N 3.39Å; K132-Q136 WeakPolarHBondContact O-CB 3.21Å; K132-Q136 PolarHBondContact O-N 2.85Å |
| 133 | E | 86.8 | Confident | 88.9 | Confident | 96 Ų | 96 | 107.4 Ų | 107.4 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175 | -71.9 | 168.3 | 177.8 | 0 | 0 | 111 | R129 H130 Q136 I137 | R129-E133 WeakPolarHBondContact O-CG 3.28Å; R129-E133 PolarHBondContact O-N 2.98Å; H130-E133 IonicContact CE1-OE2 3.41Å; H130-E133 IonicContact ND1-OE2 2.94Å; H130-E133 PolarHBondContact ND1-OE2 2.93Å; H130-E133 PolarHBondContact O-N 2.74Å; E133-Q136 PolarHBondContact O-N 3.46Å; E133-I137 VanDerWaalsContact O-CG1 3.28Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.47Å |
| 134 | L | 89.3 | Confident | 89.4 | Confident | 98 Ų | 98 | 107.8 Ų | 107.8 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 177.1 | -168.3 | 124.6 | 0 | 0 | 0 | 111.8 | H130 K131 K132 Q136 I137 E138 | H130-L134 WeakPolarHBondContact O-CB 3.36Å; H130-L134 PolarHBondContact O-N 3.46Å; K131-L134 PolarHBondContact O-N 3.25Å; K132-L134 VanDerWaalsContact C-N 3.31Å; L134-Q136 VanDerWaalsContact C-N 3.27Å; L134-Q136 PolarHBondContact O-N 3.04Å; L134-I137 PolarHBondContact O-N 3.12Å; L134-E138 VanDerWaalsContact CD2-OE1 3.29Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.39Å; L134-E138 WeakPolarHBondContact O-CG 3.44Å; L134-E138 PolarHBondContact O-N 3.05Å |
| 135 | E | 91 | Very high | 90.1 | Very high | 91 Ų | 91 | 104.2 Ų | 104.2 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 173.2 | -74.5 | 169.6 | -178.5 | 0 | 0 | 111.3 | K131 K132 E138 E139 | K131-E135 WeakPolarHBondContact CE-OE1 3.41Å; K131-E135 IonicContact NZ-OE1 3.66Å; K131-E135 WeakPolarHBondContact O-CG 3.34Å; K131-E135 PolarHBondContact O-N 2.9Å; K132-E135 PolarHBondContact O-N 3.39Å; E135-E138 PolarHBondContact O-N 3.47Å; E135-E139 WeakPolarHBondContact O-CB 3.5Å; E135-E139 PolarHBondContact O-N 2.61Å |
| 136 | Q | 94.2 | Very high | 90.6 | Very high | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -43.6 | 177.1 | -173.9 | 175.9 | 21.2 | 0 | 0 | 112.2 | K132 E133 L134 E138 E139 T140 | K132-Q136 WeakPolarHBondContact O-CB 3.21Å; K132-Q136 PolarHBondContact O-N 2.85Å; E133-Q136 PolarHBondContact O-N 3.46Å; L134-Q136 VanDerWaalsContact C-N 3.27Å; L134-Q136 PolarHBondContact O-N 3.04Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; Q136-E139 PolarHBondContact O-N 3.42Å; Q136-T140 WeakPolarHBondContact O-CG2 3.4Å; Q136-T140 PolarHBondContact O-N 3.45Å; Q136-T140 PolarHBondContact O-OG1 3.25Å |
| 137 | I | 91.7 | Very high | 91.6 | Very high | 114 Ų | 114 | 109 Ų | 109 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 176.1 | -69.5 | 164.4 | 0 | 0 | 0 | 110.2 | E133 L134 E139 T140 W141 | E133-I137 VanDerWaalsContact O-CG1 3.28Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.47Å; L134-I137 PolarHBondContact O-N 3.12Å; I137-E139 PolarHBondContact O-N 3.5Å; I137-T140 WeakPolarHBondContact CA-OG1 3.4Å; I137-T140 PolarHBondContact O-N 3.26Å; I137-T140 PolarHBondContact O-OG1 2.86Å; I137-W141 WeakPolarHBondContact O-CB 3.22Å; I137-W141 PolarHBondContact O-N 3.26Å |
| 138 | E | 93.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 107.5 Ų | 107.5 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 175.8 | -73.6 | 177.5 | 174.3 | 0 | 0 | 111.8 | L134 E135 Q136 T140 W141 H142 | L134-E138 VanDerWaalsContact CD2-OE1 3.29Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.39Å; L134-E138 WeakPolarHBondContact O-CG 3.44Å; L134-E138 PolarHBondContact O-N 3.05Å; E135-E138 PolarHBondContact O-N 3.47Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 3.11Å; E138-W141 PolarHBondContact O-N 2.67Å; E138-H142 WeakPolarHBondContact O-CB 3.29Å; E138-H142 PolarHBondContact O-CD2 3.19Å; E138-H142 PolarHBondContact O-N 3.03Å |
| 139 | E | 94 | Very high | 93 | Very high | 136 Ų | 136 | 106.8 Ų | 106.8 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -42 | 177.2 | -173.6 | 174.3 | -161 | 0 | 0 | 112.2 | E135 Q136 I137 H142 S143 | E135-E139 WeakPolarHBondContact O-CB 3.5Å; E135-E139 PolarHBondContact O-N 2.61Å; Q136-E139 PolarHBondContact O-N 3.42Å; I137-E139 PolarHBondContact O-N 3.5Å; E139-H142 PolarHBondContact O-N 3.34Å; E139-S143 WeakPolarHBondContact O-CB 3.48Å; E139-S143 PolarHBondContact O-N 3.46Å; E139-S143 PolarHBondContact O-OG 2.89Å |
| 140 | T | 94.7 | Very high | 93.5 | Very high | 67 Ų | 67 | 106.2 Ų | 106.2 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | Q136 I137 E138 H142 S143 E144 | Q136-T140 WeakPolarHBondContact O-CG2 3.4Å; Q136-T140 PolarHBondContact O-N 3.45Å; Q136-T140 PolarHBondContact O-OG1 3.25Å; I137-T140 WeakPolarHBondContact CA-OG1 3.4Å; I137-T140 PolarHBondContact O-N 3.26Å; I137-T140 PolarHBondContact O-OG1 2.86Å; E138-T140 PolarHBondContact O-N 3.11Å; T140-H142 PolarHBondContact O-N 2.84Å; T140-S143 PolarHBondContact O-N 3.22Å; T140-E144 WeakPolarHBondContact O-CG 3.26Å; T140-E144 PolarHBondContact O-N 3.08Å |
| 141 | W | 97.5 | Very high | 94.3 | Very high | 153 Ų | 153 | 105.2 Ų | 105.2 | 58% | 0.58 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 178.3 | -175.9 | 74.4 | 0 | 0 | 0 | 111.7 | I137 E138 E144 V145 | I137-W141 WeakPolarHBondContact O-CB 3.22Å; I137-W141 PolarHBondContact O-N 3.26Å; E138-W141 PolarHBondContact O-N 2.67Å; W141-E144 PolarHBondContact O-N 3.43Å; W141-V145 HydrophobicContact CD2-CG2 4.02Å; W141-V145 HydrophobicContact CE3-CG2 4.42Å; W141-V145 HydrophobicContact CH2-CG2 4.29Å; W141-V145 HydrophobicContact CZ2-CG2 3.86Å; W141-V145 WeakPolarHBondContact O-CB 3.5Å; W141-V145 VanDerWaalsContact O-CG2 3.23Å; W141-V145 WeakPolarHBondContact O-CG2 3.35Å; W141-V145 PolarHBondContact O-N 2.67Å |
| 142 | H | 97 | Very high | 94.5 | Very high | 113 Ų | 113 | 103.4 Ų | 103.4 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174 | -83 | -56.5 | 0 | 0 | 0 | 112.5 | E138 E139 T140 V145 Q146 | E138-H142 WeakPolarHBondContact O-CB 3.29Å; E138-H142 PolarHBondContact O-CD2 3.19Å; E138-H142 PolarHBondContact O-N 3.03Å; E139-H142 PolarHBondContact O-N 3.34Å; T140-H142 PolarHBondContact O-N 2.84Å; H142-V145 PolarHBondContact O-N 3.12Å; H142-Q146 WeakPolarHBondContact O-CB 3.43Å; H142-Q146 PolarHBondContact O-N 2.98Å |
| 143 | S | 94.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 102.2 Ų | 102.2 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177.1 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | E139 T140 V145 Q146 E147 | E139-S143 WeakPolarHBondContact O-CB 3.48Å; E139-S143 PolarHBondContact O-N 3.46Å; E139-S143 PolarHBondContact O-OG 2.89Å; T140-S143 PolarHBondContact O-N 3.22Å; S143-V145 PolarHBondContact O-N 3.07Å; S143-Q146 PolarHBondContact O-N 2.92Å; S143-E147 WeakPolarHBondContact O-CG 3.29Å; S143-E147 PolarHBondContact O-N 3.16Å |
| 144 | E | 95.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.1 | -72.1 | 180 | -173.9 | 0 | 0 | 112.3 | T140 W141 Q146 E147 L148 | T140-E144 WeakPolarHBondContact O-CG 3.26Å; T140-E144 PolarHBondContact O-N 3.08Å; W141-E144 PolarHBondContact O-N 3.43Å; E144-Q146 VanDerWaalsContact C-N 3.3Å; E144-Q146 PolarHBondContact O-N 2.93Å; E144-E147 PolarHBondContact O-N 3.35Å; E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.46Å; E144-L148 PolarHBondContact O-N 3.04Å |
| 145 | V | 97.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 102.5 Ų | 102.5 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | W141 H142 S143 S149 | W141-V145 HydrophobicContact CD2-CG2 4.02Å; W141-V145 HydrophobicContact CE3-CG2 4.42Å; W141-V145 HydrophobicContact CH2-CG2 4.29Å; W141-V145 HydrophobicContact CZ2-CG2 3.86Å; W141-V145 WeakPolarHBondContact O-CB 3.5Å; W141-V145 VanDerWaalsContact O-CG2 3.23Å; W141-V145 WeakPolarHBondContact O-CG2 3.35Å; W141-V145 PolarHBondContact O-N 2.67Å; H142-V145 PolarHBondContact O-N 3.12Å; S143-V145 PolarHBondContact O-N 3.07Å; V145-S149 WeakPolarHBondContact O-CB 3.39Å; V145-S149 PolarHBondContact O-N 3.34Å; V145-S149 PolarHBondContact O-OG 2.77Å |
| 146 | Q | 97.4 | Very high | 95.8 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -45 | 176.6 | -174.1 | 179.2 | 1.2 | 0 | 0 | 111.5 | H142 S143 E144 S149 Q150 | H142-Q146 WeakPolarHBondContact O-CB 3.43Å; H142-Q146 PolarHBondContact O-N 2.98Å; S143-Q146 PolarHBondContact O-N 2.92Å; E144-Q146 VanDerWaalsContact C-N 3.3Å; E144-Q146 PolarHBondContact O-N 2.93Å; Q146-S149 PolarHBondContact O-N 3.46Å; Q146-Q150 WeakPolarHBondContact O-CG 3.49Å; Q146-Q150 PolarHBondContact O-N 3.07Å |
| 147 | E | 97.1 | Very high | 95.9 | Very high | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -45.2 | 175.7 | -74.1 | -178.8 | -175.5 | 0 | 0 | 112 | S143 E144 S149 Q150 L151 | S143-E147 WeakPolarHBondContact O-CG 3.29Å; S143-E147 PolarHBondContact O-N 3.16Å; E144-E147 PolarHBondContact O-N 3.35Å; E147-S149 VanDerWaalsContact C-N 3.33Å; E147-S149 PolarHBondContact O-N 2.8Å; E147-Q150 PolarHBondContact O-N 3.42Å; E147-L151 WeakPolarHBondContact O-CB 3.12Å; E147-L151 PolarHBondContact O-N 3.35Å |
| 148 | L | 96.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 102.6 Ų | 102.6 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 175.8 | -71.8 | 174.4 | 0 | 0 | 0 | 112.1 | E144 L151 I152 | E144-L148 WeakPolarHBondContact O-CB 3.32Å; E144-L148 VanDerWaalsContact O-CG 3.29Å; E144-L148 WeakPolarHBondContact O-CG 3.46Å; E144-L148 PolarHBondContact O-N 3.04Å; L148-L151 PolarHBondContact O-N 2.94Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.38Å; L148-I152 PolarHBondContact O-N 2.86Å |
| 149 | S | 96.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 102.9 Ų | 102.9 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 177 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | V145 Q146 E147 L151 I152 E153 | V145-S149 WeakPolarHBondContact O-CB 3.39Å; V145-S149 PolarHBondContact O-N 3.34Å; V145-S149 PolarHBondContact O-OG 2.77Å; Q146-S149 PolarHBondContact O-N 3.46Å; E147-S149 VanDerWaalsContact C-N 3.33Å; E147-S149 PolarHBondContact O-N 2.8Å; S149-L151 VanDerWaalsContact C-N 3.33Å; S149-L151 PolarHBondContact O-N 2.96Å; S149-I152 PolarHBondContact O-N 3.36Å; S149-E153 PolarHBondContact O-N 3.48Å |
| 150 | Q | 96.5 | Very high | 96.1 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 174.7 | -70.2 | 174.3 | 23.6 | 0 | 0 | 111.8 | Q146 E147 E153 K154 | Q146-Q150 WeakPolarHBondContact O-CG 3.49Å; Q146-Q150 PolarHBondContact O-N 3.07Å; E147-Q150 PolarHBondContact O-N 3.42Å; Q150-E153 PolarHBondContact O-N 2.78Å; Q150-K154 WeakPolarHBondContact O-CB 3.45Å; Q150-K154 PolarHBondContact O-N 2.99Å |
| 151 | L | 97.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 105.6 Ų | 105.6 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.7 | -178.9 | 61.5 | 0 | 0 | 0 | 112 | E147 L148 S149 K154 L155 | E147-L151 WeakPolarHBondContact O-CB 3.12Å; E147-L151 PolarHBondContact O-N 3.35Å; L148-L151 PolarHBondContact O-N 2.94Å; S149-L151 VanDerWaalsContact C-N 3.33Å; S149-L151 PolarHBondContact O-N 2.96Å; L151-K154 PolarHBondContact O-N 2.94Å; L151-L155 HydrophobicContact CD1-CD1 4.4Å; L151-L155 HydrophobicContact CD1-CG 4.44Å; L151-L155 HydrophobicContact CG-CD1 4.22Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.3Å |
| 152 | I | 95.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 103.5 Ų | 103.5 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.8 | -70.5 | 165.1 | 0 | 0 | 0 | 110.8 | L148 S149 L155 K156 | L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.38Å; L148-I152 PolarHBondContact O-N 2.86Å; S149-I152 PolarHBondContact O-N 3.36Å; I152-L155 PolarHBondContact O-N 2.95Å; I152-K156 HydrophobicContact CG2-CD 4.13Å; I152-K156 HydrophobicContact CG2-CG 4.46Å; I152-K156 WeakPolarHBondContact O-CB 3.4Å; I152-K156 VanDerWaalsContact O-CG 3.3Å; I152-K156 WeakPolarHBondContact O-CG 3.27Å; I152-K156 PolarHBondContact O-N 2.89Å |
| 153 | E | 96.5 | Very high | 95.7 | Very high | 119 Ų | 119 | 104 Ų | 104 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -48.6 | 177 | -171.5 | 170.3 | -162.9 | 0 | 0 | 111.1 | S149 Q150 L155 K156 E157 | S149-E153 PolarHBondContact O-N 3.48Å; Q150-E153 PolarHBondContact O-N 2.78Å; E153-L155 PolarHBondContact O-N 3.43Å; E153-K156 WeakPolarHBondContact O-CB 3.34Å; E153-K156 PolarHBondContact O-N 2.89Å; E153-K156 VanDerWaalsContact O-N 3.13Å; E153-E157 PolarHBondContact O-N 3.49Å |
| 154 | K | 97 | Very high | 95.5 | Very high | 120 Ų | 120 | 104.8 Ų | 104.8 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 175.6 | -173.5 | 178.6 | 178.1 | -178.5 | 0 | 112.8 | Q150 L151 K156 E157 E158 | Q150-K154 WeakPolarHBondContact O-CB 3.45Å; Q150-K154 PolarHBondContact O-N 2.99Å; L151-K154 PolarHBondContact O-N 2.94Å; K154-K156 VanDerWaalsContact C-N 3.29Å; K154-K156 PolarHBondContact O-N 3.33Å; K154-E157 PolarHBondContact O-N 3.46Å; K154-E158 VanDerWaalsContact CE-OE1 3.24Å; K154-E158 WeakPolarHBondContact CE-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 2.84Å |
| 155 | L | 96.1 | Very high | 95.3 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | 177.3 | -75.4 | 172.9 | 0 | 0 | 0 | 112.3 | L151 I152 E153 N159 | L151-L155 HydrophobicContact CD1-CD1 4.4Å; L151-L155 HydrophobicContact CD1-CG 4.44Å; L151-L155 HydrophobicContact CG-CD1 4.22Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 WeakPolarHBondContact O-CG 3.35Å; L151-L155 PolarHBondContact O-N 3.3Å; I152-L155 PolarHBondContact O-N 2.95Å; E153-L155 PolarHBondContact O-N 3.43Å; L155-N159 WeakPolarHBondContact O-CB 3.47Å; L155-N159 PolarHBondContact O-N 2.94Å; L155-N159 PolarHBondContact O-ND2 2.82Å |
| 156 | K | 96 | Very high | 94.8 | Very high | 145 Ų | 145 | 103.4 Ų | 103.4 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 174.2 | -79.1 | 177.2 | 175.9 | -179.6 | 0 | 111.6 | I152 E153 K154 N159 K160 | I152-K156 HydrophobicContact CG2-CD 4.13Å; I152-K156 HydrophobicContact CG2-CG 4.46Å; I152-K156 WeakPolarHBondContact O-CB 3.4Å; I152-K156 VanDerWaalsContact O-CG 3.3Å; I152-K156 WeakPolarHBondContact O-CG 3.27Å; I152-K156 PolarHBondContact O-N 2.89Å; E153-K156 WeakPolarHBondContact O-CB 3.34Å; E153-K156 PolarHBondContact O-N 2.89Å; E153-K156 VanDerWaalsContact O-N 3.13Å; K154-K156 VanDerWaalsContact C-N 3.29Å; K154-K156 PolarHBondContact O-N 3.33Å; K156-N159 PolarHBondContact O-N 2.84Å; K156-K160 WeakPolarHBondContact O-CB 3.19Å; K156-K160 PolarHBondContact O-N 2.85Å |
| 157 | E | 96.1 | Very high | 94.2 | Very high | 106 Ų | 106 | 102.3 Ų | 102.3 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 174.3 | -71 | -179.5 | 174.6 | 0 | 0 | 111.7 | E153 K154 N159 K160 Q161 | E153-E157 PolarHBondContact O-N 3.49Å; K154-E157 PolarHBondContact O-N 3.46Å; E157-N159 PolarHBondContact O-N 3.22Å; E157-K160 WeakPolarHBondContact O-CB 3.4Å; E157-K160 PolarHBondContact O-N 3.26Å; E157-Q161 WeakPolarHBondContact O-CG 3.47Å; E157-Q161 PolarHBondContact O-N 3.38Å |
| 158 | E | 95.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 101.3 Ų | 101.3 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.7 | -73.2 | 177.8 | -176 | 0 | 0 | 111.7 | K154 K160 Q161 L162 | K154-E158 VanDerWaalsContact CE-OE1 3.24Å; K154-E158 WeakPolarHBondContact CE-OE1 3.28Å; K154-E158 WeakPolarHBondContact O-CG 3.43Å; K154-E158 PolarHBondContact O-N 2.84Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 2.83Å; E158-Q161 PolarHBondContact O-N 3.38Å; E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 WeakPolarHBondContact O-CG 3.47Å; E158-L162 PolarHBondContact O-N 2.87Å |
| 159 | N | 93.2 | Very high | 92.5 | Very high | 104 Ų | 104 | 101.9 Ų | 101.9 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -37.9 | 175.5 | -82.4 | -56 | 0 | 0 | 0 | 112.6 | L155 K156 E157 K163 | L155-N159 WeakPolarHBondContact O-CB 3.47Å; L155-N159 PolarHBondContact O-N 2.94Å; L155-N159 PolarHBondContact O-ND2 2.82Å; K156-N159 PolarHBondContact O-N 2.84Å; E157-N159 PolarHBondContact O-N 3.22Å; N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 PolarHBondContact O-N 3.08Å |
| 160 | K | 95.1 | Very high | 91.4 | Very high | 137 Ų | 137 | 105.2 Ų | 105.2 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -48.6 | 174.4 | -176.1 | -171.7 | 172.1 | -169.2 | 0 | 110.7 | K156 E157 E158 L162 K163 D164 | K156-K160 WeakPolarHBondContact O-CB 3.19Å; K156-K160 PolarHBondContact O-N 2.85Å; E157-K160 WeakPolarHBondContact O-CB 3.4Å; E157-K160 PolarHBondContact O-N 3.26Å; E158-K160 VanDerWaalsContact C-N 3.33Å; E158-K160 PolarHBondContact O-N 2.83Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L162 PolarHBondContact O-N 2.72Å; K160-K163 WeakPolarHBondContact O-CB 3.42Å; K160-K163 PolarHBondContact O-N 3.28Å; K160-K163 VanDerWaalsContact O-N 3.13Å; K160-D164 VanDerWaalsContact O-CG 3.26Å; K160-D164 PolarHBondContact O-N 3.12Å |
| 161 | Q | 95.3 | Very high | 90 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59 | -42.2 | 177.7 | -70.8 | 171.8 | 29.1 | 0 | 0 | 112.1 | E157 E158 A165 | E157-Q161 WeakPolarHBondContact O-CG 3.47Å; E157-Q161 PolarHBondContact O-N 3.38Å; E158-Q161 PolarHBondContact O-N 3.38Å; Q161-A165 WeakPolarHBondContact O-CB 3.44Å; Q161-A165 PolarHBondContact O-N 3.23Å |
| 162 | L | 92.4 | Very high | 88.2 | Confident | 109 Ų | 109 | 104.3 Ų | 104.3 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.9 | -38.3 | 176 | -71.8 | 174.1 | 0 | 0 | 0 | 112.1 | E158 K160 A165 I166 | E158-L162 WeakPolarHBondContact O-CB 3.39Å; E158-L162 WeakPolarHBondContact O-CG 3.47Å; E158-L162 PolarHBondContact O-N 2.87Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L162 PolarHBondContact O-N 2.72Å; L162-A165 PolarHBondContact O-N 2.91Å; L162-I166 VanDerWaalsContact O-CG1 3.28Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.86Å |
| 163 | K | 92.2 | Very high | 86.1 | Confident | 124 Ų | 124 | 106.5 Ų | 106.5 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 176.4 | -167.5 | 178.9 | -179.1 | -86.1 | 0 | 111.3 | N159 K160 A165 I166 E167 | N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 PolarHBondContact O-N 3.08Å; K160-K163 WeakPolarHBondContact O-CB 3.42Å; K160-K163 PolarHBondContact O-N 3.28Å; K160-K163 VanDerWaalsContact O-N 3.13Å; K163-A165 VanDerWaalsContact C-N 3.3Å; K163-A165 PolarHBondContact O-N 3.39Å; K163-I166 PolarHBondContact O-N 3.46Å; K163-E167 IonicContact NZ-OE1 3.23Å; K163-E167 PolarHBondContact NZ-OE1 3.49Å; K163-E167 PolarHBondContact O-N 3.23Å |
| 164 | D | 91.5 | Very high | 84 | Confident | 68 Ų | 68 | 107.6 Ų | 107.6 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.5 | -42.5 | 177.2 | -62.8 | -13.5 | 0 | 0 | 0 | 110.3 | K160 I166 E167 D168 | K160-D164 VanDerWaalsContact O-CG 3.26Å; K160-D164 PolarHBondContact O-N 3.12Å; D164-I166 PolarHBondContact O-N 3.46Å; D164-E167 PolarHBondContact O-N 3.45Å; D164-D168 PolarHBondContact O-N 3.25Å |
| 165 | A | 90.9 | Very high | 81.5 | Confident | 45 Ų | 45 | 110.7 Ų | 110.7 | 37% | 0.372 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68 | -28.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q161 L162 K163 N169 | Q161-A165 WeakPolarHBondContact O-CB 3.44Å; Q161-A165 PolarHBondContact O-N 3.23Å; L162-A165 PolarHBondContact O-N 2.91Å; K163-A165 VanDerWaalsContact C-N 3.3Å; K163-A165 PolarHBondContact O-N 3.39Å; A165-N169 PolarHBondContact O-N 2.89Å; A165-N169 PolarHBondContact O-ND2 2.95Å |
| 166 | I | 86.7 | Confident | 78.8 | Confident | 97 Ų | 97 | 111.8 Ų | 111.8 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -73.2 | -44.8 | 172.2 | -70.1 | 165.9 | 0 | 0 | 0 | 109.6 | L162 K163 D164 D168 N169 E170 | L162-I166 VanDerWaalsContact O-CG1 3.28Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 2.86Å; K163-I166 PolarHBondContact O-N 3.46Å; D164-I166 PolarHBondContact O-N 3.46Å; I166-D168 VanDerWaalsContact C-N 3.32Å; I166-D168 PolarHBondContact O-N 3.42Å; I166-N169 PolarHBondContact O-N 2.92Å; I166-E170 HydrophobicContact CG2-CG 4.27Å; I166-E170 WeakPolarHBondContact O-CG 3.23Å; I166-E170 PolarHBondContact O-N 2.96Å |
| 167 | E | 84.9 | Confident | 76.4 | Confident | 96 Ų | 96 | 109.6 Ų | 109.6 | 45% | 0.449 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.3 | -41.8 | 176.8 | -71.9 | -179.8 | -168.7 | 0 | 0 | 111.8 | K163 D164 N169 E170 A171 | K163-E167 IonicContact NZ-OE1 3.23Å; K163-E167 PolarHBondContact NZ-OE1 3.49Å; K163-E167 PolarHBondContact O-N 3.23Å; D164-E167 PolarHBondContact O-N 3.45Å; E167-N169 PolarHBondContact O-N 3.44Å; E167-E170 PolarHBondContact O-N 3.25Å; E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 3.34Å |
| 168 | D | 82.7 | Confident | 73.8 | Confident | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 175.6 | -75 | -19.5 | 0 | 0 | 0 | 112.9 | D164 I166 S172 | D164-D168 PolarHBondContact O-N 3.25Å; I166-D168 VanDerWaalsContact C-N 3.32Å; I166-D168 PolarHBondContact O-N 3.42Å; D168-S172 PolarHBondContact O-N 2.9Å; D168-S172 PolarHBondContact O-OG 3.48Å; D168-S172 VanDerWaalsContact O-OG 3.14Å |
| 169 | N | 76 | Confident | 71.4 | Confident | 115 Ų | 115 | 113.2 Ų | 113.2 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71 | -41.9 | 176.1 | -89.6 | -62.6 | 0 | 0 | 0 | 112 | A165 I166 E167 A171 S172 N173 | A165-N169 PolarHBondContact O-N 2.89Å; A165-N169 PolarHBondContact O-ND2 2.95Å; I166-N169 PolarHBondContact O-N 2.92Å; E167-N169 PolarHBondContact O-N 3.44Å; N169-A171 VanDerWaalsContact C-N 3.32Å; N169-A171 PolarHBondContact O-N 3.49Å; N169-S172 PolarHBondContact O-N 3.27Å; N169-N173 WeakPolarHBondContact O-CB 3.41Å; N169-N173 PolarHBondContact O-N 2.74Å |
| 170 | E | 72.9 | Confident | 68.6 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.5 | -37.2 | 176 | -73 | -173.9 | 169.3 | 0 | 0 | 111.5 | I166 E167 S172 N173 | I166-E170 HydrophobicContact CG2-CG 4.27Å; I166-E170 WeakPolarHBondContact O-CG 3.23Å; I166-E170 PolarHBondContact O-N 2.96Å; E167-E170 PolarHBondContact O-N 3.25Å; E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.48Å; E170-N173 PolarHBondContact O-N 3.43Å |
| 171 | A | 65.9 | Low | 65.6 | Low | 78 Ų | 78 | 113.6 Ų | 113.6 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.1 | -32.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E167 N169 | E167-A171 WeakPolarHBondContact O-CB 3.42Å; E167-A171 PolarHBondContact O-N 3.34Å; N169-A171 VanDerWaalsContact C-N 3.32Å; N169-A171 PolarHBondContact O-N 3.49Å |
| 172 | S | 59.3 | Low | 62.9 | Low | 102 Ų | 102 | 113 Ų | 113 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.6 | -12.4 | -179.7 | -64 | 0 | 0 | 0 | 0 | 114.1 | D168 N169 E170 N174 | D168-S172 PolarHBondContact O-N 2.9Å; D168-S172 PolarHBondContact O-OG 3.48Å; D168-S172 VanDerWaalsContact O-OG 3.14Å; N169-S172 PolarHBondContact O-N 3.27Å; E170-S172 VanDerWaalsContact C-N 3.31Å; E170-S172 PolarHBondContact O-N 3.48Å; S172-N174 PolarHBondContact O-N 3.3Å |
| 173 | N | 52.6 | Low | 60.2 | Low | 137 Ų | 137 | 111.3 Ų | 111.3 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | trans | -93.6 | 18.8 | -167.5 | -147.2 | 12.4 | 0 | 0 | 0 | 115.6 | N169 E170 | N169-N173 WeakPolarHBondContact O-CB 3.41Å; N169-N173 PolarHBondContact O-N 2.74Å; E170-N173 PolarHBondContact O-N 3.43Å | ||
| 174 | N | 51.1 | Low | 58.3 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -97.9 | 21.2 | -179 | -82.7 | -39.7 | 0 | 0 | 0 | 115.5 | S172 | S172-N174 PolarHBondContact O-N 3.3Š|
| 175 | H | 44.6 | Very low | 56.7 | Low | 186 Ų | 186 | 111.9 Ų | 111.9 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | trans | -147.3 | 110.6 | 169.1 | -109 | -70.6 | 0 | 0 | 0 | 112.7 | ||||
| 176 | S | 40.5 | Very low | 55.1 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | trans | -83.4 | 169 | 160.4 | -141.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 177 | P | 44.6 | Very low | 54.3 | Low | 100 Ų | 100 | 113.3 Ų | 113.3 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | cis | -136.6 | 164.2 | 4.2 | 34.6 | -13.3 | 0 | 0 | 0 | 116.5 | ||||
| 178 | I | 42.4 | Very low | 54 | Low | 143 Ų | 143 | 113.3 Ų | 113.3 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | 22.6 | 125.8 | 143.5 | -49.7 | 162.8 | 0 | 0 | 0 | 117.1 | ||||
| 179 | P | 45.3 | Very low | 54 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | -126.2 | 122.7 | 117.4 | 4.4 | 16.5 | 0 | 0 | 0 | 112.7 | C181 | P179-C181 PolarHBondContact O-N 2.93Š| |||
| 180 | T | 33.4 | Very low | 54.3 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -45.6 | 123.3 | 144.8 | 29 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 181 | C | 33 | Very low | 55 | Low | 126 Ų | 126 | 112.9 Ų | 112.9 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | trans | 179 | 140.7 | 133.7 | -97.8 | 0 | 0 | 0 | 0 | 111.3 | P179 | P179-C181 PolarHBondContact O-N 2.93Š| ||
| 182 | S | 38.9 | Very low | 56.1 | Low | 110 Ų | 110 | 113.3 Ų | 113.3 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | trans | 81.6 | 92 | 154 | -158.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 183 | A | 35.6 | Very low | 57.6 | Low | 75 Ų | 75 | 113 Ų | 113 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 36.5 | 118.3 | 131 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 184 | N | 51.7 | Low | 59.4 | Low | 123 Ų | 123 | 112 Ų | 112 | 66% | 0.658 | 64% | 0.639 | S | S | * | * | trans | 114.4 | -4.7 | 170.2 | -53.2 | -33 | 0 | 0 | 0 | 120 | ||||
| 185 | P | 56.7 | Low | 61.4 | Low | 80 Ų | 80 | 108.7 Ų | 108.7 | 52% | 0.519 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.9 | -26.3 | -176.7 | 28.7 | -32.7 | 0 | 0 | 0 | 114.9 | N187 V188 E189 | P185-N187 VanDerWaalsContact C-N 3.34Å; P185-N187 PolarHBondContact O-N 3.23Å; P185-V188 PolarHBondContact O-N 2.84Å; P185-V188 VanDerWaalsContact O-N 3.16Å; P185-E189 PolarHBondContact O-N 2.98Å |
| 186 | T | 58.9 | Low | 63.7 | Low | 84 Ų | 84 | 106.6 Ų | 106.6 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.2 | -39.9 | -179 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | V188 E189 E190 | T186-V188 VanDerWaalsContact C-N 3.29Å; T186-V188 PolarHBondContact O-N 3.48Å; T186-E189 PolarHBondContact O-N 2.97Å; T186-E190 WeakPolarHBondContact O-CB 3.37Å; T186-E190 VanDerWaalsContact O-CG 3.31Å; T186-E190 WeakPolarHBondContact O-CG 3.47Å; T186-E190 PolarHBondContact O-N 3.39Å |
| 187 | N | 69.5 | Low | 66.4 | Low | 89 Ų | 89 | 106.2 Ų | 106.2 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.4 | -34.5 | 177.6 | -71.1 | -21 | 0 | 0 | 0 | 112.2 | P185 I191 | P185-N187 VanDerWaalsContact C-N 3.34Å; P185-N187 PolarHBondContact O-N 3.23Å; N187-I191 WeakPolarHBondContact O-CB 3.3Å; N187-I191 VanDerWaalsContact O-CD1 3.27Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.42Å; N187-I191 PolarHBondContact O-N 3.45Å |
| 188 | V | 79.4 | Confident | 68.8 | Low | 96 Ų | 96 | 107.4 Ų | 107.4 | 58% | 0.582 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.2 | -42.6 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | P185 T186 I191 Q192 | P185-V188 PolarHBondContact O-N 2.84Å; P185-V188 VanDerWaalsContact O-N 3.16Å; T186-V188 VanDerWaalsContact C-N 3.29Å; T186-V188 PolarHBondContact O-N 3.48Å; V188-I191 PolarHBondContact O-N 3.46Å; V188-Q192 WeakPolarHBondContact O-CB 3.27Å; V188-Q192 PolarHBondContact O-N 3.48Å |
| 189 | E | 82.5 | Confident | 71.3 | Confident | 143 Ų | 143 | 104.9 Ų | 104.9 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.3 | -41.7 | 175.4 | -68.9 | 179.6 | -179.7 | 0 | 0 | 111.8 | P185 T186 Q192 L193 | P185-E189 PolarHBondContact O-N 2.98Å; T186-E189 PolarHBondContact O-N 2.97Å; E189-Q192 PolarHBondContact O-N 3.22Å; E189-L193 WeakPolarHBondContact O-CB 3.37Å; E189-L193 PolarHBondContact O-N 3.19Å |
| 190 | E | 81.2 | Confident | 73.7 | Confident | 123 Ų | 123 | 101.9 Ų | 101.9 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.6 | -42 | 173.9 | -74.6 | 175.9 | -163.4 | 0 | 0 | 112 | T186 L193 M194 | T186-E190 WeakPolarHBondContact O-CB 3.37Å; T186-E190 VanDerWaalsContact O-CG 3.31Å; T186-E190 WeakPolarHBondContact O-CG 3.47Å; T186-E190 PolarHBondContact O-N 3.39Å; E190-L193 PolarHBondContact O-N 3.35Å; E190-M194 VanDerWaalsContact O-CB 3.31Å; E190-M194 WeakPolarHBondContact O-CB 3.37Å; E190-M194 PolarHBondContact O-N 3.38Å |
| 191 | I | 87.3 | Confident | 76.8 | Confident | 87 Ų | 87 | 99.8 Ų | 99.8 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.3 | -70.9 | 162.3 | 0 | 0 | 0 | 110.7 | N187 V188 L193 M194 I195 | N187-I191 WeakPolarHBondContact O-CB 3.3Å; N187-I191 VanDerWaalsContact O-CD1 3.27Å; N187-I191 WeakPolarHBondContact O-CD1 3.42Å; N187-I191 WeakPolarHBondContact O-CG1 3.42Å; N187-I191 PolarHBondContact O-N 3.45Å; V188-I191 PolarHBondContact O-N 3.46Å; I191-L193 PolarHBondContact O-N 3.49Å; I191-M194 HydrophobicContact CB-CE 4.41Å; I191-M194 HydrophobicContact CG1-CE 4.09Å; I191-M194 WeakPolarHBondContact O-CB 3.43Å; I191-M194 PolarHBondContact O-N 3.35Å; I191-I195 HydrophobicContact CG2-CD1 3.97Å; I191-I195 WeakPolarHBondContact O-CG1 3Å; I191-I195 PolarHBondContact O-N 3.07Å |
| 192 | Q | 89.1 | Confident | 79.8 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.2 | -170.6 | 66.3 | 19.9 | 0 | 0 | 111.7 | V188 E189 I195 R196 | V188-Q192 WeakPolarHBondContact O-CB 3.27Å; V188-Q192 PolarHBondContact O-N 3.48Å; E189-Q192 PolarHBondContact O-N 3.22Å; Q192-I195 PolarHBondContact O-N 3.44Å; Q192-R196 WeakPolarHBondContact O-CG 3.35Å; Q192-R196 PolarHBondContact O-N 3.05Å; Q192-R196 VanDerWaalsContact O-N 3.09Å |
| 193 | L | 90.6 | Very high | 82.5 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 173.9 | 178.8 | 62.2 | 0 | 0 | 0 | 111.2 | E189 E190 I191 I195 R196 L197 | E189-L193 WeakPolarHBondContact O-CB 3.37Å; E189-L193 PolarHBondContact O-N 3.19Å; E190-L193 PolarHBondContact O-N 3.35Å; I191-L193 PolarHBondContact O-N 3.49Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 PolarHBondContact O-N 3.18Å; L193-R196 PolarHBondContact O-N 3.5Å; L193-L197 HydrophobicContact CD1-CD1 4.36Å; L193-L197 HydrophobicContact CD1-CG 4.35Å; L193-L197 HydrophobicContact CG-CD1 4.08Å; L193-L197 HydrophobicContact CG-CG 4.49Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 2.89Å |
| 194 | M | 90.8 | Very high | 85.4 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -39.6 | 177.4 | 177.6 | 175.5 | 38.2 | 0 | 0 | 111.9 | E190 I191 L197 K198 | E190-M194 VanDerWaalsContact O-CB 3.31Å; E190-M194 WeakPolarHBondContact O-CB 3.37Å; E190-M194 PolarHBondContact O-N 3.38Å; I191-M194 HydrophobicContact CB-CE 4.41Å; I191-M194 HydrophobicContact CG1-CE 4.09Å; I191-M194 WeakPolarHBondContact O-CB 3.43Å; I191-M194 PolarHBondContact O-N 3.35Å; M194-L197 PolarHBondContact O-N 3.32Å; M194-K198 WeakPolarHBondContact O-CB 3.41Å; M194-K198 PolarHBondContact O-N 2.84Å |
| 195 | I | 92.8 | Very high | 87.6 | Confident | 72 Ų | 72 | 98.3 Ų | 98.3 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 174.7 | -68.7 | 164 | 0 | 0 | 0 | 110.6 | I191 Q192 L193 L197 K198 E199 | I191-I195 HydrophobicContact CG2-CD1 3.97Å; I191-I195 WeakPolarHBondContact O-CG1 3Å; I191-I195 PolarHBondContact O-N 3.07Å; Q192-I195 PolarHBondContact O-N 3.44Å; L193-I195 VanDerWaalsContact C-N 3.32Å; L193-I195 PolarHBondContact O-N 3.18Å; I195-L197 PolarHBondContact O-N 3.46Å; I195-K198 WeakPolarHBondContact O-CB 3.43Å; I195-K198 PolarHBondContact O-N 3.28Å; I195-E199 WeakPolarHBondContact O-CG 3.41Å; I195-E199 PolarHBondContact O-N 2.97Å |
| 196 | R | 94.3 | Very high | 89.5 | Confident | 141 Ų | 141 | 99.7 Ų | 99.7 | 53% | 0.532 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.4 | -69.4 | -179.8 | -173.7 | 127.6 | -2.3 | 112.2 | Q192 L193 E199 V200 | Q192-R196 WeakPolarHBondContact O-CG 3.35Å; Q192-R196 PolarHBondContact O-N 3.05Å; Q192-R196 VanDerWaalsContact O-N 3.09Å; L193-R196 PolarHBondContact O-N 3.5Å; R196-E199 PolarHBondContact O-N 3.46Å; R196-V200 WeakPolarHBondContact O-CG2 3.28Å; R196-V200 PolarHBondContact O-N 3.2Å |
| 197 | L | 95.5 | Very high | 91.4 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.6 | -75 | 172.5 | 0 | 0 | 0 | 111.3 | L193 M194 I195 E199 V200 I201 | L193-L197 HydrophobicContact CD1-CD1 4.36Å; L193-L197 HydrophobicContact CD1-CG 4.35Å; L193-L197 HydrophobicContact CG-CD1 4.08Å; L193-L197 HydrophobicContact CG-CG 4.49Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 2.89Å; M194-L197 PolarHBondContact O-N 3.32Å; I195-L197 PolarHBondContact O-N 3.46Å; L197-E199 PolarHBondContact O-N 2.94Å; L197-V200 PolarHBondContact O-N 3.47Å; L197-I201 WeakPolarHBondContact O-CB 3.45Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 WeakPolarHBondContact O-CG1 3.37Å; L197-I201 PolarHBondContact O-N 3.49Å |
| 198 | K | 95.6 | Very high | 92.6 | Very high | 125 Ų | 125 | 100.2 Ų | 100.2 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 175 | -178.1 | -175.6 | 176.3 | -62.5 | 0 | 111.4 | M194 I195 I201 D202 | M194-K198 WeakPolarHBondContact O-CB 3.41Å; M194-K198 PolarHBondContact O-N 2.84Å; I195-K198 WeakPolarHBondContact O-CB 3.43Å; I195-K198 PolarHBondContact O-N 3.28Å; K198-I201 PolarHBondContact O-N 2.98Å; K198-D202 IonicContact NZ-OD2 2.83Å; K198-D202 PolarHBondContact NZ-OD2 3.49Å; K198-D202 WeakPolarHBondContact O-CB 3.23Å; K198-D202 VanDerWaalsContact O-CG 3.26Å; K198-D202 PolarHBondContact O-N 3.13Å |
| 199 | E | 95.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 176.6 | -70.4 | 177.8 | -169.2 | 0 | 0 | 112.7 | I195 R196 L197 D202 R203 | I195-E199 WeakPolarHBondContact O-CG 3.41Å; I195-E199 PolarHBondContact O-N 2.97Å; R196-E199 PolarHBondContact O-N 3.46Å; L197-E199 PolarHBondContact O-N 2.94Å; E199-D202 PolarHBondContact O-N 3.28Å; E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.38Å; E199-R203 PolarHBondContact O-N 2.94Å; E199-R203 IonicContact OE2-CZ 2.8Å; E199-R203 IonicContact OE2-NH1 3.6Å; E199-R203 PolarHBondContact OE2-NH1 3.42Å; E199-R203 IonicContact OE2-NH2 3.47Å; E199-R203 PolarHBondContact OE2-NH2 3.21Å |
| 200 | V | 96.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 98.5 Ų | 98.5 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | R196 L197 D202 R203 Q204 | R196-V200 WeakPolarHBondContact O-CG2 3.28Å; R196-V200 PolarHBondContact O-N 3.2Å; L197-V200 PolarHBondContact O-N 3.47Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-D202 PolarHBondContact O-N 2.96Å; V200-R203 PolarHBondContact O-N 3.43Å; V200-Q204 HydrophobicContact CG1-CG 4.41Å; V200-Q204 WeakPolarHBondContact O-CB 3.4Å; V200-Q204 WeakPolarHBondContact O-CG 3.23Å; V200-Q204 PolarHBondContact O-N 3.37Å |
| 201 | I | 96.9 | Very high | 94.8 | Very high | 78 Ų | 78 | 97.1 Ų | 97.1 | 40% | 0.4 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.9 | -71.3 | 166.1 | 0 | 0 | 0 | 110.6 | L197 K198 Q204 K205 | L197-I201 WeakPolarHBondContact O-CB 3.45Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 WeakPolarHBondContact O-CG1 3.37Å; L197-I201 PolarHBondContact O-N 3.49Å; K198-I201 PolarHBondContact O-N 2.98Å; I201-Q204 PolarHBondContact O-N 2.95Å; I201-K205 HydrophobicContact CG2-CD 4.09Å; I201-K205 VanDerWaalsContact CG2-CE 3.46Å; I201-K205 HydrophobicContact CG2-CG 4.46Å; I201-K205 WeakPolarHBondContact O-CB 3.48Å; I201-K205 VanDerWaalsContact O-CG 3.24Å; I201-K205 WeakPolarHBondContact O-CG 3.45Å; I201-K205 PolarHBondContact O-N 2.85Å |
| 202 | D | 96.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 101.1 Ų | 101.1 | 29% | 0.289 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 179.4 | -71.4 | -21.2 | 0 | 0 | 0 | 111.4 | K198 E199 V200 K205 I206 | K198-D202 IonicContact NZ-OD2 2.83Å; K198-D202 PolarHBondContact NZ-OD2 3.49Å; K198-D202 WeakPolarHBondContact O-CB 3.23Å; K198-D202 VanDerWaalsContact O-CG 3.26Å; K198-D202 PolarHBondContact O-N 3.13Å; E199-D202 PolarHBondContact O-N 3.28Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-D202 PolarHBondContact O-N 2.96Å; D202-K205 PolarHBondContact O-N 2.97Å; D202-K205 IonicContact OD1-NZ 3.48Å; D202-I206 WeakPolarHBondContact O-CG1 3.39Å; D202-I206 PolarHBondContact O-N 3.33Å; D202-I206 VanDerWaalsContact O-N 3.12Å |
| 203 | R | 96.3 | Very high | 95.7 | Very high | 141 Ų | 141 | 103.7 Ų | 103.7 | 53% | 0.532 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 171 | -75.9 | -174.3 | -78.5 | -98.7 | -0.3 | 111.9 | E199 V200 K205 I206 L207 | E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.38Å; E199-R203 PolarHBondContact O-N 2.94Å; E199-R203 IonicContact OE2-CZ 2.8Å; E199-R203 IonicContact OE2-NH1 3.6Å; E199-R203 PolarHBondContact OE2-NH1 3.42Å; E199-R203 IonicContact OE2-NH2 3.47Å; E199-R203 PolarHBondContact OE2-NH2 3.21Å; V200-R203 PolarHBondContact O-N 3.43Å; R203-K205 VanDerWaalsContact C-N 3.33Å; R203-K205 PolarHBondContact O-N 3.32Å; R203-I206 PolarHBondContact O-N 2.89Å; R203-L207 PolarHBondContact O-N 3.38Å |
| 204 | Q | 97.3 | Very high | 96 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 177.7 | -74.7 | 177.2 | -13.5 | 0 | 0 | 111.9 | V200 I201 I206 L207 I208 | V200-Q204 HydrophobicContact CG1-CG 4.41Å; V200-Q204 WeakPolarHBondContact O-CB 3.4Å; V200-Q204 WeakPolarHBondContact O-CG 3.23Å; V200-Q204 PolarHBondContact O-N 3.37Å; I201-Q204 PolarHBondContact O-N 2.95Å; Q204-I206 PolarHBondContact O-N 3.37Å; Q204-L207 PolarHBondContact O-N 2.94Å; Q204-I208 WeakPolarHBondContact O-CB 3.4Å; Q204-I208 VanDerWaalsContact O-CG1 3.24Å; Q204-I208 WeakPolarHBondContact O-CG1 3.34Å; Q204-I208 PolarHBondContact O-N 3.23Å |
| 205 | K | 97.5 | Very high | 96.1 | Very high | 96 Ų | 96 | 105.1 Ų | 105.1 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.5 | -77.8 | 170.3 | -177.2 | 166.9 | 0 | 112.2 | I201 D202 R203 R209 | I201-K205 HydrophobicContact CG2-CD 4.09Å; I201-K205 VanDerWaalsContact CG2-CE 3.46Å; I201-K205 HydrophobicContact CG2-CG 4.46Å; I201-K205 WeakPolarHBondContact O-CB 3.48Å; I201-K205 VanDerWaalsContact O-CG 3.24Å; I201-K205 WeakPolarHBondContact O-CG 3.45Å; I201-K205 PolarHBondContact O-N 2.85Å; D202-K205 PolarHBondContact O-N 2.97Å; D202-K205 IonicContact OD1-NZ 3.48Å; R203-K205 VanDerWaalsContact C-N 3.33Å; R203-K205 PolarHBondContact O-N 3.32Å; K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 3.3Å |
| 206 | I | 96.2 | Very high | 96.2 | Very high | 109 Ų | 109 | 105.7 Ų | 105.7 | 56% | 0.559 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -46.2 | 177.5 | -66.2 | 165.2 | 0 | 0 | 0 | 110.2 | D202 R203 Q204 I208 R209 S210 | D202-I206 WeakPolarHBondContact O-CG1 3.39Å; D202-I206 PolarHBondContact O-N 3.33Å; D202-I206 VanDerWaalsContact O-N 3.12Å; R203-I206 PolarHBondContact O-N 2.89Å; Q204-I206 PolarHBondContact O-N 3.37Å; I206-I208 PolarHBondContact O-N 3.36Å; I206-R209 PolarHBondContact O-N 2.86Å; I206-R209 VanDerWaalsContact O-N 3.13Å; I206-S210 PolarHBondContact O-N 3.47Å |
| 207 | L | 97.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 104 Ų | 104 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 178.1 | -176.1 | 133.9 | 0 | 0 | 0 | 112.1 | R203 Q204 R209 S210 L211 | R203-L207 PolarHBondContact O-N 3.38Å; Q204-L207 PolarHBondContact O-N 2.94Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.95Å; L207-S210 PolarHBondContact O-N 2.8Å; L207-L211 HydrophobicContact CD2-CD1 3.6Å; L207-L211 HydrophobicContact CD2-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 4.28Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 WeakPolarHBondContact O-CG 3.5Å; L207-L211 PolarHBondContact O-N 2.83Å |
| 208 | I | 95.6 | Very high | 96.1 | Very high | 77 Ų | 77 | 106 Ų | 106 | 40% | 0.395 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 174.9 | -70 | 165.6 | 0 | 0 | 0 | 111.2 | Q204 I206 R212 | Q204-I208 WeakPolarHBondContact O-CB 3.4Å; Q204-I208 VanDerWaalsContact O-CG1 3.24Å; Q204-I208 WeakPolarHBondContact O-CG1 3.34Å; Q204-I208 PolarHBondContact O-N 3.23Å; I206-I208 PolarHBondContact O-N 3.36Å; I208-R212 WeakPolarHBondContact O-CB 3.34Å; I208-R212 VanDerWaalsContact O-CG 3.23Å; I208-R212 WeakPolarHBondContact O-CG 3.29Å; I208-R212 PolarHBondContact O-N 2.9Å |
| 209 | R | 96.6 | Very high | 96.1 | Very high | 152 Ų | 152 | 105.5 Ų | 105.5 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 176.4 | -71.3 | -179.3 | -160.4 | 116.8 | -4.2 | 111.8 | K205 I206 L207 R212 Q213 | K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 3.3Å; I206-R209 PolarHBondContact O-N 2.86Å; I206-R209 VanDerWaalsContact O-N 3.13Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.95Å; R209-R212 PolarHBondContact O-N 3.33Å; R209-Q213 PolarHBondContact O-N 2.84Å |
| 210 | S | 96 | Very high | 96 | Very high | 52 Ų | 52 | 105.4 Ų | 105.4 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | I206 L207 R212 Q213 Q214 | I206-S210 PolarHBondContact O-N 3.47Å; L207-S210 PolarHBondContact O-N 2.8Å; S210-R212 VanDerWaalsContact C-N 3.32Å; S210-R212 PolarHBondContact O-N 3.29Å; S210-Q213 WeakPolarHBondContact O-CB 3.39Å; S210-Q213 PolarHBondContact O-N 3.45Å; S210-Q213 VanDerWaalsContact O-N 3.11Å; S210-Q214 WeakPolarHBondContact O-CG 3.33Å; S210-Q214 PolarHBondContact O-N 2.92Å; S210-Q214 PolarHBondContact OG-NE2 3.4Å |
| 211 | L | 97 | Very high | 95.8 | Very high | 94 Ų | 94 | 105.7 Ų | 105.7 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 177.2 | -72.6 | 176.2 | 0 | 0 | 0 | 112.5 | L207 Q214 L215 | L207-L211 HydrophobicContact CD2-CD1 3.6Å; L207-L211 HydrophobicContact CD2-CG 4.38Å; L207-L211 HydrophobicContact CG-CD1 4.28Å; L207-L211 WeakPolarHBondContact O-CB 3.44Å; L207-L211 WeakPolarHBondContact O-CG 3.5Å; L207-L211 PolarHBondContact O-N 2.83Å; L211-Q214 PolarHBondContact O-N 2.95Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 PolarHBondContact O-N 2.81Å |
| 212 | R | 97.7 | Very high | 95.7 | Very high | 171 Ų | 171 | 107.5 Ų | 107.5 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 173.6 | -77.6 | 174.3 | -179.5 | 172.1 | 1.4 | 111.7 | I208 R209 S210 L215 T216 | I208-R212 WeakPolarHBondContact O-CB 3.34Å; I208-R212 VanDerWaalsContact O-CG 3.23Å; I208-R212 WeakPolarHBondContact O-CG 3.29Å; I208-R212 PolarHBondContact O-N 2.9Å; R209-R212 PolarHBondContact O-N 3.33Å; S210-R212 VanDerWaalsContact C-N 3.32Å; S210-R212 PolarHBondContact O-N 3.29Å; R212-L215 PolarHBondContact O-N 2.91Å; R212-T216 WeakPolarHBondContact O-CG2 3.42Å; R212-T216 PolarHBondContact O-N 2.89Å; R212-T216 PolarHBondContact O-OG1 2.85Å; R212-T216 VanDerWaalsContact O-OG1 3.13Å |
| 213 | Q | 96.9 | Very high | 95.5 | Very high | 141 Ų | 141 | 108.8 Ų | 108.8 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 176.9 | -173.6 | 178.3 | 2.4 | 0 | 0 | 111.7 | R209 S210 T216 Q217 | R209-Q213 PolarHBondContact O-N 2.84Å; S210-Q213 WeakPolarHBondContact O-CB 3.39Å; S210-Q213 PolarHBondContact O-N 3.45Å; S210-Q213 VanDerWaalsContact O-N 3.11Å; Q213-T216 VanDerWaalsContact CA-OG1 3.3Å; Q213-T216 WeakPolarHBondContact CA-OG1 3.32Å; Q213-T216 PolarHBondContact O-N 2.86Å; Q213-T216 PolarHBondContact O-OG1 3.4Å; Q213-Q217 PolarHBondContact O-N 3.21Å |
| 214 | Q | 96.7 | Very high | 95.3 | Very high | 110 Ų | 110 | 104.4 Ų | 104.4 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.5 | -68.9 | 179.2 | 37.1 | 0 | 0 | 111.6 | S210 L211 T216 Q217 K218 | S210-Q214 WeakPolarHBondContact O-CG 3.33Å; S210-Q214 PolarHBondContact O-N 2.92Å; S210-Q214 PolarHBondContact OG-NE2 3.4Å; L211-Q214 PolarHBondContact O-N 2.95Å; Q214-T216 PolarHBondContact O-N 3.05Å; Q214-Q217 PolarHBondContact O-N 2.91Å; Q214-K218 WeakPolarHBondContact O-CG 3.48Å; Q214-K218 PolarHBondContact O-N 3.13Å |
| 215 | L | 93.7 | Very high | 95.1 | Very high | 131 Ų | 131 | 104.3 Ų | 104.3 | 69% | 0.686 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -43.8 | 176.2 | -166.1 | 97.5 | 0 | 0 | 0 | 111.4 | L211 R212 K218 H219 | L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 PolarHBondContact O-N 2.81Å; R212-L215 PolarHBondContact O-N 2.91Å; L215-K218 PolarHBondContact O-N 3.29Å; L215-H219 WeakPolarHBondContact O-CB 3.35Å; L215-H219 PolarHBondContact O-N 2.94Å |
| 216 | T | 95.3 | Very high | 94.8 | Very high | 83 Ų | 83 | 105.7 Ų | 105.7 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.6 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | R212 Q213 Q214 H219 V220 | R212-T216 WeakPolarHBondContact O-CG2 3.42Å; R212-T216 PolarHBondContact O-N 2.89Å; R212-T216 PolarHBondContact O-OG1 2.85Å; R212-T216 VanDerWaalsContact O-OG1 3.13Å; Q213-T216 VanDerWaalsContact CA-OG1 3.3Å; Q213-T216 WeakPolarHBondContact CA-OG1 3.32Å; Q213-T216 PolarHBondContact O-N 2.86Å; Q213-T216 PolarHBondContact O-OG1 3.4Å; Q214-T216 PolarHBondContact O-N 3.05Å; T216-H219 PolarHBondContact O-N 3.36Å; T216-V220 WeakPolarHBondContact O-CG2 3.45Å; T216-V220 PolarHBondContact O-N 2.92Å |
| 217 | Q | 93.4 | Very high | 94.7 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 176.3 | -175.7 | 59.9 | 50.7 | 0 | 0 | 110.9 | Q213 Q214 H219 V220 D221 | Q213-Q217 PolarHBondContact O-N 3.21Å; Q214-Q217 PolarHBondContact O-N 2.91Å; Q217-H219 VanDerWaalsContact C-N 3.25Å; Q217-H219 PolarHBondContact O-N 3.4Å; Q217-V220 PolarHBondContact O-N 3.34Å; Q217-V220 VanDerWaalsContact O-N 3.13Å; Q217-D221 PolarHBondContact NE2-OD1 2.6Å; Q217-D221 VanDerWaalsContact O-CG 3.23Å; Q217-D221 PolarHBondContact O-N 3.11Å |
| 218 | K | 94.8 | Very high | 94.5 | Very high | 138 Ų | 138 | 105.2 Ų | 105.2 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -34.2 | 176.4 | -67.6 | -60.5 | -177.3 | -170.6 | 0 | 112.6 | Q214 L215 D221 L222 | Q214-K218 WeakPolarHBondContact O-CG 3.48Å; Q214-K218 PolarHBondContact O-N 3.13Å; L215-K218 PolarHBondContact O-N 3.29Å; K218-D221 PolarHBondContact O-N 2.91Å; K218-L222 WeakPolarHBondContact O-CB 3.33Å; K218-L222 VanDerWaalsContact O-CG 3.32Å; K218-L222 WeakPolarHBondContact O-CG 3.45Å; K218-L222 PolarHBondContact O-N 2.91Å |
| 219 | H | 94.8 | Very high | 94.1 | Very high | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 174.8 | -169.9 | 52.2 | 0 | 0 | 0 | 111.8 | L215 T216 Q217 L222 D223 | L215-H219 WeakPolarHBondContact O-CB 3.35Å; L215-H219 PolarHBondContact O-N 2.94Å; T216-H219 PolarHBondContact O-N 3.36Å; Q217-H219 VanDerWaalsContact C-N 3.25Å; Q217-H219 PolarHBondContact O-N 3.4Å; H219-L222 PolarHBondContact O-N 3Å; H219-D223 PolarHBondContact O-N 2.96Å |
| 220 | V | 93.9 | Very high | 93.7 | Very high | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | T216 Q217 D223 A224 | T216-V220 WeakPolarHBondContact O-CG2 3.45Å; T216-V220 PolarHBondContact O-N 2.92Å; Q217-V220 PolarHBondContact O-N 3.34Å; Q217-V220 VanDerWaalsContact O-N 3.13Å; V220-D223 PolarHBondContact O-N 3.16Å; V220-A224 WeakPolarHBondContact O-CB 3.47Å; V220-A224 PolarHBondContact O-N 2.97Å |
| 221 | D | 92.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 105.1 Ų | 105.1 | 35% | 0.353 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 177.4 | -60.9 | -17.7 | 0 | 0 | 0 | 111.5 | Q217 K218 A224 M225 | Q217-D221 PolarHBondContact NE2-OD1 2.6Å; Q217-D221 VanDerWaalsContact O-CG 3.23Å; Q217-D221 PolarHBondContact O-N 3.11Å; K218-D221 PolarHBondContact O-N 2.91Å; D221-A224 PolarHBondContact O-N 2.92Å; D221-M225 WeakPolarHBondContact O-CG 3.27Å; D221-M225 PolarHBondContact O-N 3.45Å |
| 222 | L | 93.3 | Very high | 93.3 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 175.1 | -78 | 172.5 | 0 | 0 | 0 | 111.7 | K218 H219 A224 M225 Q226 | K218-L222 WeakPolarHBondContact O-CB 3.33Å; K218-L222 VanDerWaalsContact O-CG 3.32Å; K218-L222 WeakPolarHBondContact O-CG 3.45Å; K218-L222 PolarHBondContact O-N 2.91Å; H219-L222 PolarHBondContact O-N 3Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 2.99Å; L222-M225 PolarHBondContact O-N 2.85Å; L222-Q226 VanDerWaalsContact O-CB 3.25Å; L222-Q226 WeakPolarHBondContact O-CB 3.45Å; L222-Q226 PolarHBondContact O-N 2.93Å |
| 223 | D | 93.4 | Very high | 92.6 | Very high | 80 Ų | 80 | 99.8 Ų | 99.8 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.3 | -79.6 | -10.8 | 0 | 0 | 0 | 111.5 | H219 V220 Q226 Q227 | H219-D223 PolarHBondContact O-N 2.96Å; V220-D223 PolarHBondContact O-N 3.16Å; D223-Q226 PolarHBondContact O-N 3.39Å; D223-Q227 VanDerWaalsContact O-CG 3.27Å; D223-Q227 WeakPolarHBondContact O-CG 3.35Å; D223-Q227 PolarHBondContact O-N 2.87Å |
| 224 | A | 91.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 100.2 Ų | 100.2 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V220 D221 L222 Q227 Q228 | V220-A224 WeakPolarHBondContact O-CB 3.47Å; V220-A224 PolarHBondContact O-N 2.97Å; D221-A224 PolarHBondContact O-N 2.92Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 2.99Å; A224-Q227 PolarHBondContact O-N 3.2Å; A224-Q228 PolarHBondContact O-N 3.46Å |
| 225 | M | 93.4 | Very high | 92 | Very high | 111 Ų | 111 | 99.7 Ų | 99.7 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.3 | -72.3 | -62.7 | 102.1 | 0 | 0 | 112 | D221 L222 Q227 Q228 A229 | D221-M225 WeakPolarHBondContact O-CG 3.27Å; D221-M225 PolarHBondContact O-N 3.45Å; L222-M225 PolarHBondContact O-N 2.85Å; M225-Q227 VanDerWaalsContact C-N 3.34Å; M225-Q227 PolarHBondContact O-N 3.34Å; M225-Q228 PolarHBondContact O-N 3.26Å; M225-A229 WeakPolarHBondContact O-CB 3.49Å; M225-A229 PolarHBondContact O-N 2.99Å |
| 226 | Q | 91.4 | Very high | 91.6 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 175.7 | -177.2 | 63.5 | 13.9 | 0 | 0 | 111.6 | L222 D223 A229 T230 | L222-Q226 VanDerWaalsContact O-CB 3.25Å; L222-Q226 WeakPolarHBondContact O-CB 3.45Å; L222-Q226 PolarHBondContact O-N 2.93Å; D223-Q226 PolarHBondContact O-N 3.39Å; Q226-A229 PolarHBondContact O-N 3.4Å; Q226-T230 WeakPolarHBondContact O-CB 3.32Å; Q226-T230 PolarHBondContact O-N 3.07Å; Q226-T230 PolarHBondContact O-OG1 3.15Å |
| 227 | Q | 92.9 | Very high | 91.1 | Very high | 108 Ų | 108 | 95.2 Ų | 95.2 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 173 | -73.1 | 176.4 | 28.2 | 0 | 0 | 111.7 | D223 A224 M225 T230 R231 | D223-Q227 VanDerWaalsContact O-CG 3.27Å; D223-Q227 WeakPolarHBondContact O-CG 3.35Å; D223-Q227 PolarHBondContact O-N 2.87Å; A224-Q227 PolarHBondContact O-N 3.2Å; M225-Q227 VanDerWaalsContact C-N 3.34Å; M225-Q227 PolarHBondContact O-N 3.34Å; Q227-T230 PolarHBondContact O-N 3.06Å; Q227-R231 WeakPolarHBondContact O-CG 3.24Å; Q227-R231 PolarHBondContact O-N 2.97Å |
| 228 | Q | 94.3 | Very high | 90.7 | Very high | 97 Ų | 97 | 92.7 Ų | 92.7 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.1 | -174.4 | 176 | -1.5 | 0 | 0 | 111.8 | A224 M225 T230 R231 L232 | A224-Q228 PolarHBondContact O-N 3.46Å; M225-Q228 PolarHBondContact O-N 3.26Å; Q228-T230 VanDerWaalsContact C-N 3.32Å; Q228-T230 PolarHBondContact O-N 3Å; Q228-R231 PolarHBondContact O-N 3.05Å; Q228-L232 HydrophobicContact CG-CD1 4.43Å; Q228-L232 PolarHBondContact O-N 2.71Å |
| 229 | A | 86.8 | Confident | 90.4 | Very high | 51 Ų | 51 | 90.6 Ų | 90.6 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M225 Q226 R231 L232 A233 | M225-A229 WeakPolarHBondContact O-CB 3.49Å; M225-A229 PolarHBondContact O-N 2.99Å; Q226-A229 PolarHBondContact O-N 3.4Å; A229-R231 PolarHBondContact O-N 2.9Å; A229-L232 PolarHBondContact O-N 3.24Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 2.99Å |
| 230 | T | 87.6 | Confident | 90.3 | Very high | 61 Ų | 61 | 91.6 Ų | 91.6 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | Q226 Q227 Q228 K234 | Q226-T230 WeakPolarHBondContact O-CB 3.32Å; Q226-T230 PolarHBondContact O-N 3.07Å; Q226-T230 PolarHBondContact O-OG1 3.15Å; Q227-T230 PolarHBondContact O-N 3.06Å; Q228-T230 VanDerWaalsContact C-N 3.32Å; Q228-T230 PolarHBondContact O-N 3Å; T230-K234 WeakPolarHBondContact O-CG 3.15Å; T230-K234 PolarHBondContact O-N 3.37Å |
| 231 | R | 94.7 | Very high | 90 | Very high | 167 Ų | 167 | 95.5 Ų | 95.5 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 175.2 | -71.9 | 174.8 | -166 | 152.2 | 7.3 | 111.5 | Q227 Q228 A229 K234 L235 | Q227-R231 WeakPolarHBondContact O-CG 3.24Å; Q227-R231 PolarHBondContact O-N 2.97Å; Q228-R231 PolarHBondContact O-N 3.05Å; A229-R231 PolarHBondContact O-N 2.9Å; R231-K234 PolarHBondContact O-N 3.21Å; R231-L235 PolarHBondContact O-N 2.89Å |
| 232 | L | 89.7 | Confident | 90 | Very high | 94 Ų | 94 | 99.3 Ų | 99.3 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.9 | -72.7 | 174.2 | 0 | 0 | 0 | 112 | Q228 A229 K234 L235 N236 | Q228-L232 HydrophobicContact CG-CD1 4.43Å; Q228-L232 PolarHBondContact O-N 2.71Å; A229-L232 PolarHBondContact O-N 3.24Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 3.05Å; L232-L235 PolarHBondContact O-N 3.12Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 2.86Å |
| 233 | A | 83.7 | Confident | 89.9 | Confident | 60 Ų | 60 | 100 Ų | 100 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A229 N236 A237 | A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 2.99Å; A233-N236 PolarHBondContact O-N 2.79Å; A233-A237 WeakPolarHBondContact O-CB 3.48Å; A233-A237 PolarHBondContact O-N 3Å |
| 234 | K | 89.8 | Confident | 89.7 | Confident | 149 Ų | 149 | 100 Ų | 100 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 175.1 | -73.2 | 176.7 | 179.9 | -178.1 | 0 | 112.5 | T230 R231 L232 A237 S238 | T230-K234 WeakPolarHBondContact O-CG 3.15Å; T230-K234 PolarHBondContact O-N 3.37Å; R231-K234 PolarHBondContact O-N 3.21Å; L232-K234 VanDerWaalsContact C-N 3.35Å; L232-K234 PolarHBondContact O-N 3.05Å; K234-A237 PolarHBondContact O-N 3.49Å; K234-S238 PolarHBondContact O-N 3.44Å |
| 235 | L | 91.3 | Very high | 89.5 | Confident | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 177.8 | -176.2 | 136.8 | 0 | 0 | 0 | 111.6 | R231 L232 A237 S238 L239 | R231-L235 PolarHBondContact O-N 2.89Å; L232-L235 PolarHBondContact O-N 3.12Å; L235-A237 PolarHBondContact O-N 3.42Å; L235-S238 WeakPolarHBondContact O-CB 3.43Å; L235-S238 PolarHBondContact O-N 3.33Å; L235-L239 HydrophobicContact CD2-CD1 3.59Å; L235-L239 HydrophobicContact CD2-CG 4.3Å; L235-L239 HydrophobicContact CG-CD1 4.48Å; L235-L239 WeakPolarHBondContact O-CG 3.41Å; L235-L239 PolarHBondContact O-N 3.49Å |
| 236 | N | 85.7 | Confident | 89.1 | Confident | 85 Ų | 85 | 98.9 Ų | 98.9 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 174.4 | -85.6 | -33.2 | 0 | 0 | 0 | 112.1 | L232 A233 S238 L239 R240 | L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 2.86Å; A233-N236 PolarHBondContact O-N 2.79Å; N236-S238 VanDerWaalsContact C-N 3.32Å; N236-S238 PolarHBondContact O-N 2.9Å; N236-L239 PolarHBondContact O-N 2.95Å; N236-R240 WeakPolarHBondContact O-CB 3.41Å; N236-R240 VanDerWaalsContact O-CG 3.27Å; N236-R240 WeakPolarHBondContact O-CG 3.27Å; N236-R240 PolarHBondContact O-N 3.47Å |
| 237 | A | 83.8 | Confident | 89.2 | Confident | 35 Ų | 35 | 98.7 Ų | 98.7 | 29% | 0.289 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A233 K234 L235 R240 R241 | A233-A237 WeakPolarHBondContact O-CB 3.48Å; A233-A237 PolarHBondContact O-N 3Å; K234-A237 PolarHBondContact O-N 3.49Å; L235-A237 PolarHBondContact O-N 3.42Å; A237-R240 PolarHBondContact O-N 2.94Å; A237-R241 WeakPolarHBondContact O-CG 3.5Å; A237-R241 PolarHBondContact O-N 3.36Å |
| 238 | S | 85.8 | Confident | 89.1 | Confident | 53 Ų | 53 | 98 Ų | 98 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | K234 L235 N236 R241 K242 | K234-S238 PolarHBondContact O-N 3.44Å; L235-S238 WeakPolarHBondContact O-CB 3.43Å; L235-S238 PolarHBondContact O-N 3.33Å; N236-S238 VanDerWaalsContact C-N 3.32Å; N236-S238 PolarHBondContact O-N 2.9Å; S238-R241 PolarHBondContact O-N 3.38Å; S238-K242 WeakPolarHBondContact O-CG 3.32Å; S238-K242 PolarHBondContact O-N 3.03Å |
| 239 | L | 89 | Confident | 89 | Confident | 94 Ų | 94 | 98.6 Ų | 98.6 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176 | -74.9 | 173.3 | 0 | 0 | 0 | 112 | L235 N236 R241 K242 H243 | L235-L239 HydrophobicContact CD2-CD1 3.59Å; L235-L239 HydrophobicContact CD2-CG 4.3Å; L235-L239 HydrophobicContact CG-CD1 4.48Å; L235-L239 WeakPolarHBondContact O-CG 3.41Å; L235-L239 PolarHBondContact O-N 3.49Å; N236-L239 PolarHBondContact O-N 2.95Å; L239-R241 PolarHBondContact O-N 3.23Å; L239-K242 PolarHBondContact O-N 3.31Å; L239-H243 VanDerWaalsContact O-CB 3.29Å; L239-H243 WeakPolarHBondContact O-CB 3.34Å; L239-H243 PolarHBondContact O-N 3.25Å |
| 240 | R | 92 | Very high | 89.2 | Confident | 134 Ų | 134 | 98.9 Ų | 98.9 | 51% | 0.506 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 175.9 | -73.7 | 170.2 | 179.9 | -83.8 | 8.9 | 111.9 | N236 A237 H243 F244 E366 | N236-R240 WeakPolarHBondContact O-CB 3.41Å; N236-R240 VanDerWaalsContact O-CG 3.27Å; N236-R240 WeakPolarHBondContact O-CG 3.27Å; N236-R240 PolarHBondContact O-N 3.47Å; A237-R240 PolarHBondContact O-N 2.94Å; R240-H243 PolarHBondContact O-N 2.94Å; R240-F244 WeakPolarHBondContact O-CB 3.41Å; R240-F244 PolarHBondContact O-N 2.68Å; R240-E366 VanDerWaalsContact CZ-CD 3.43Å; R240-E366 IonicContact CZ-OE1 3.9Å; R240-E366 IonicContact CZ-OE2 2.6Å; R240-E366 VanDerWaalsContact CZ-OE2 3.3Å; R240-E366 IonicContact NE-OE2 2.71Å; R240-E366 IonicContact NH1-OE1 3.77Å; R240-E366 PolarHBondContact NH1-OE1 3.37Å; R240-E366 IonicContact NH1-OE2 3.78Å; R240-E366 PolarHBondContact NH1-OE2 2.94Å; R240-E366 IonicContact NH2-OE1 3.05Å; R240-E366 PolarHBondContact NH2-OE1 2.98Å; R240-E366 IonicContact NH2-OE2 3.02Å |
| 241 | R | 88.3 | Confident | 89.4 | Confident | 169 Ų | 169 | 98.6 Ų | 98.6 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 174.6 | -71 | 176.7 | -166.1 | 147.1 | 3.4 | 112.1 | A237 S238 L239 F244 V245 | A237-R241 WeakPolarHBondContact O-CG 3.5Å; A237-R241 PolarHBondContact O-N 3.36Å; S238-R241 PolarHBondContact O-N 3.38Å; L239-R241 PolarHBondContact O-N 3.23Å; R241-F244 PolarHBondContact O-N 3.43Å; R241-V245 WeakPolarHBondContact O-CG2 3.37Å; R241-V245 PolarHBondContact O-N 2.82Å |
| 242 | K | 90.9 | Very high | 89.3 | Confident | 147 Ų | 147 | 95.6 Ų | 95.6 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 176.7 | -74.6 | -176 | 179.3 | -173.5 | 0 | 112 | S238 L239 F244 V245 S246 | S238-K242 WeakPolarHBondContact O-CG 3.32Å; S238-K242 PolarHBondContact O-N 3.03Å; L239-K242 PolarHBondContact O-N 3.31Å; K242-F244 VanDerWaalsContact C-N 3.34Å; K242-V245 PolarHBondContact O-N 2.9Å; K242-S246 WeakPolarHBondContact O-CB 3.41Å; K242-S246 PolarHBondContact O-N 2.99Å |
| 243 | H | 90.8 | Very high | 89.4 | Confident | 132 Ų | 132 | 96.6 Ų | 96.6 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 175.6 | 177.7 | -87.6 | 0 | 0 | 0 | 111.3 | L239 R240 S246 K247 | L239-H243 VanDerWaalsContact O-CB 3.29Å; L239-H243 WeakPolarHBondContact O-CB 3.34Å; L239-H243 PolarHBondContact O-N 3.25Å; R240-H243 PolarHBondContact O-N 2.94Å; H243-S246 PolarHBondContact O-N 3.44Å; H243-K247 VanDerWaalsContact O-CB 3.23Å; H243-K247 WeakPolarHBondContact O-CB 3.36Å; H243-K247 PolarHBondContact O-N 3.36Å |
| 244 | F | 90.4 | Very high | 89.9 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 34% | 0.342 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.7 | 178.2 | -94.5 | 0 | 0 | 0 | 112.1 | R240 R241 K242 K247 Q248 T359 | R240-F244 WeakPolarHBondContact O-CB 3.41Å; R240-F244 PolarHBondContact O-N 2.68Å; R241-F244 PolarHBondContact O-N 3.43Å; K242-F244 VanDerWaalsContact C-N 3.34Å; F244-K247 PolarHBondContact O-N 3.15Å; F244-Q248 WeakPolarHBondContact O-CB 3.3Å; F244-Q248 PolarHBondContact O-N 3.01Å; F244-T359 HydrophobicContact CD1-CG2 4.42Å; F244-T359 HydrophobicContact CD2-CG2 4.06Å; F244-T359 HydrophobicContact CE1-CG2 3.98Å; F244-T359 HydrophobicContact CE2-CG2 3.58Å; F244-T359 WeakPolarHBondContact CE2-OG1 3.4Å; F244-T359 HydrophobicContact CG-CG2 4.47Å; F244-T359 HydrophobicContact CZ-CG2 3.56Å; F244-T359 WeakPolarHBondContact CZ-OG1 3.33Å |
| 245 | V | 87.5 | Confident | 90 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | R241 K242 K247 Q248 Q249 | R241-V245 WeakPolarHBondContact O-CG2 3.37Å; R241-V245 PolarHBondContact O-N 2.82Å; K242-V245 PolarHBondContact O-N 2.9Å; V245-K247 PolarHBondContact O-N 3.34Å; V245-Q248 PolarHBondContact O-N 2.97Å; V245-Q249 WeakPolarHBondContact O-CG 3.31Å; V245-Q249 PolarHBondContact O-N 3.31Å |
| 246 | S | 85.9 | Confident | 90.1 | Very high | 71 Ų | 71 | 98.4 Ų | 98.4 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | K242 H243 Q249 A250 | K242-S246 WeakPolarHBondContact O-CB 3.41Å; K242-S246 PolarHBondContact O-N 2.99Å; H243-S246 PolarHBondContact O-N 3.44Å; S246-Q249 PolarHBondContact O-N 3.48Å; S246-A250 PolarHBondContact O-N 2.97Å |
| 247 | K | 92.7 | Very high | 90.6 | Very high | 122 Ų | 122 | 100.4 Ų | 100.4 | 53% | 0.53 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 174.6 | -177.8 | 175.9 | 179 | 178.3 | 0 | 111.6 | H243 F244 V245 Q249 A250 D251 | H243-K247 VanDerWaalsContact O-CB 3.23Å; H243-K247 WeakPolarHBondContact O-CB 3.36Å; H243-K247 PolarHBondContact O-N 3.36Å; F244-K247 PolarHBondContact O-N 3.15Å; V245-K247 PolarHBondContact O-N 3.34Å; K247-Q249 VanDerWaalsContact C-N 3.33Å; K247-Q249 PolarHBondContact O-N 2.91Å; K247-A250 PolarHBondContact O-N 3.1Å; K247-D251 PolarHBondContact O-N 3.48Å |
| 248 | Q | 91.5 | Very high | 91.1 | Very high | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.5 | -177.2 | -179.5 | 60.4 | 0 | 0 | 111.5 | F244 V245 D251 Q252 | F244-Q248 WeakPolarHBondContact O-CB 3.3Å; F244-Q248 PolarHBondContact O-N 3.01Å; V245-Q248 PolarHBondContact O-N 2.97Å; Q248-D251 PolarHBondContact O-N 3.12Å; Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 PolarHBondContact O-N 3.19Å |
| 249 | Q | 91.6 | Very high | 91.6 | Very high | 109 Ų | 109 | 104.1 Ų | 104.1 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.4 | -73 | 174.9 | -11.9 | 0 | 0 | 111.8 | V245 S246 K247 Q252 L253 | V245-Q249 WeakPolarHBondContact O-CG 3.31Å; V245-Q249 PolarHBondContact O-N 3.31Å; S246-Q249 PolarHBondContact O-N 3.48Å; K247-Q249 VanDerWaalsContact C-N 3.33Å; K247-Q249 PolarHBondContact O-N 2.91Å; Q249-Q252 PolarHBondContact O-N 3.36Å; Q249-L253 WeakPolarHBondContact O-CG 3.44Å; Q249-L253 PolarHBondContact O-N 3.18Å |
| 250 | A | 89.9 | Confident | 91.9 | Very high | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S246 K247 R254 | S246-A250 PolarHBondContact O-N 2.97Å; K247-A250 PolarHBondContact O-N 3.1Å; A250-R254 WeakPolarHBondContact O-CB 3.35Å; A250-R254 PolarHBondContact O-N 3.02Å |
| 251 | D | 93.2 | Very high | 92.1 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 29% | 0.294 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 176 | -81.6 | -39.5 | 0 | 0 | 0 | 112.2 | K247 Q248 R254 E255 | K247-D251 PolarHBondContact O-N 3.48Å; Q248-D251 PolarHBondContact O-N 3.12Å; D251-R254 WeakPolarHBondContact O-CB 3.29Å; D251-R254 PolarHBondContact O-N 3.03Å; D251-R254 IonicContact OD1-CZ 3.31Å; D251-R254 IonicContact OD1-NE 2.68Å; D251-R254 PolarHBondContact OD1-NE 2.94Å; D251-R254 IonicContact OD1-NH2 3.93Å; D251-R254 PolarHBondContact OD1-NH2 2.94Å; D251-E255 WeakPolarHBondContact O-CG 3.47Å; D251-E255 PolarHBondContact O-N 2.88Å |
| 252 | Q | 92.2 | Very high | 92.4 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 174.7 | -176.4 | -178.1 | -16.2 | 0 | 0 | 111.5 | Q248 Q249 R254 E255 E256 | Q248-Q252 WeakPolarHBondContact O-CB 3.48Å; Q248-Q252 PolarHBondContact O-N 3.19Å; Q249-Q252 PolarHBondContact O-N 3.36Å; Q252-R254 VanDerWaalsContact C-N 3.25Å; Q252-R254 PolarHBondContact O-N 3.42Å; Q252-E255 PolarHBondContact O-N 3.38Å; Q252-E255 VanDerWaalsContact O-N 3.16Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.4Å; Q252-E256 PolarHBondContact NE2-OE1 3.29Å; Q252-E256 WeakPolarHBondContact O-CG 3.5Å; Q252-E256 PolarHBondContact O-N 3.35Å |
| 253 | L | 91.1 | Very high | 92.6 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -34.6 | 176.6 | -71 | 172.7 | 0 | 0 | 0 | 112 | Q249 K257 | Q249-L253 WeakPolarHBondContact O-CG 3.44Å; Q249-L253 PolarHBondContact O-N 3.18Å; L253-K257 VanDerWaalsContact O-CB 3.27Å; L253-K257 WeakPolarHBondContact O-CB 3.31Å; L253-K257 PolarHBondContact O-N 3.13Å |
| 254 | R | 94.3 | Very high | 92.9 | Very high | 138 Ų | 138 | 97.2 Ų | 97.2 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 174.6 | -177.9 | 179.4 | 58.6 | 74.2 | 6.3 | 112 | A250 D251 Q252 L258 | A250-R254 WeakPolarHBondContact O-CB 3.35Å; A250-R254 PolarHBondContact O-N 3.02Å; D251-R254 WeakPolarHBondContact O-CB 3.29Å; D251-R254 PolarHBondContact O-N 3.03Å; D251-R254 IonicContact OD1-CZ 3.31Å; D251-R254 IonicContact OD1-NE 2.68Å; D251-R254 PolarHBondContact OD1-NE 2.94Å; D251-R254 IonicContact OD1-NH2 3.93Å; D251-R254 PolarHBondContact OD1-NH2 2.94Å; Q252-R254 VanDerWaalsContact C-N 3.25Å; Q252-R254 PolarHBondContact O-N 3.42Å; R254-L258 WeakPolarHBondContact O-CB 2.8Å; R254-L258 PolarHBondContact O-N 3.4Å |
| 255 | E | 92.2 | Very high | 93.1 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 176.3 | -72.7 | 177.3 | -173.7 | 0 | 0 | 112.4 | D251 Q252 L258 T259 | D251-E255 WeakPolarHBondContact O-CG 3.47Å; D251-E255 PolarHBondContact O-N 2.88Å; Q252-E255 PolarHBondContact O-N 3.38Å; Q252-E255 VanDerWaalsContact O-N 3.16Å; E255-L258 PolarHBondContact O-N 3.27Å; E255-T259 PolarHBondContact O-N 2.82Å; E255-T259 PolarHBondContact O-OG1 3.42Å |
| 256 | E | 93.9 | Very high | 93.5 | Very high | 93 Ų | 93 | 97.7 Ų | 97.7 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.1 | -71.8 | 174.2 | -167 | 0 | 0 | 110.9 | Q252 L258 T259 L260 | Q252-E256 WeakPolarHBondContact CG-OE1 3.4Å; Q252-E256 PolarHBondContact NE2-OE1 3.29Å; Q252-E256 WeakPolarHBondContact O-CG 3.5Å; Q252-E256 PolarHBondContact O-N 3.35Å; E256-L258 PolarHBondContact O-N 3.37Å; E256-T259 PolarHBondContact O-N 2.97Å; E256-L260 WeakPolarHBondContact O-CG 3.26Å; E256-L260 PolarHBondContact O-N 3.4Å |
| 257 | K | 95.8 | Very high | 94 | Very high | 127 Ų | 127 | 100.4 Ų | 100.4 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.7 | -48.9 | 173.6 | 177.3 | -178 | 166.5 | 179 | 0 | 111.8 | L253 T259 L260 E261 | L253-K257 VanDerWaalsContact O-CB 3.27Å; L253-K257 WeakPolarHBondContact O-CB 3.31Å; L253-K257 PolarHBondContact O-N 3.13Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 2.94Å; K257-L260 PolarHBondContact O-N 2.84Å; K257-E261 WeakPolarHBondContact CE-OE1 3.35Å; K257-E261 HydrophobicContact CG-CG 4.47Å; K257-E261 IonicContact NZ-OE1 3.66Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 3.1Å |
| 258 | L | 94.6 | Very high | 94.1 | Very high | 94 Ų | 94 | 97.9 Ų | 97.9 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -41 | 178.7 | -173.9 | 79.8 | 0 | 0 | 0 | 111.4 | R254 E255 E256 E261 I262 | R254-L258 WeakPolarHBondContact O-CB 2.8Å; R254-L258 PolarHBondContact O-N 3.4Å; E255-L258 PolarHBondContact O-N 3.27Å; E256-L258 PolarHBondContact O-N 3.37Å; L258-E261 PolarHBondContact O-N 3.1Å; L258-I262 HydrophobicContact CG-CD1 4.17Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.04Å; L258-I262 PolarHBondContact O-N 2.86Å |
| 259 | T | 95.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 98.2 Ų | 98.2 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | E255 E256 K257 I262 Q263 | E255-T259 PolarHBondContact O-N 2.82Å; E255-T259 PolarHBondContact O-OG1 3.42Å; E256-T259 PolarHBondContact O-N 2.97Å; K257-T259 VanDerWaalsContact C-N 3.29Å; K257-T259 PolarHBondContact O-N 2.94Å; T259-I262 PolarHBondContact O-N 2.72Å; T259-Q263 WeakPolarHBondContact O-CG 3.33Å; T259-Q263 PolarHBondContact O-N 2.86Å |
| 260 | L | 95.2 | Very high | 94.5 | Very high | 111 Ų | 111 | 97.4 Ų | 97.4 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 176 | -70.1 | 173.3 | 0 | 0 | 0 | 112.2 | E256 K257 I262 Q263 L264 | E256-L260 WeakPolarHBondContact O-CG 3.26Å; E256-L260 PolarHBondContact O-N 3.4Å; K257-L260 PolarHBondContact O-N 2.84Å; L260-I262 PolarHBondContact O-N 3.24Å; L260-Q263 PolarHBondContact O-N 3.19Å; L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.89Å |
| 261 | E | 96.1 | Very high | 94.7 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 175.4 | -76 | 176.4 | 170.5 | 0 | 0 | 112 | K257 L258 L264 N265 | K257-E261 WeakPolarHBondContact CE-OE1 3.35Å; K257-E261 HydrophobicContact CG-CG 4.47Å; K257-E261 IonicContact NZ-OE1 3.66Å; K257-E261 WeakPolarHBondContact O-CG 3.3Å; K257-E261 PolarHBondContact O-N 3.1Å; L258-E261 PolarHBondContact O-N 3.1Å; E261-L264 PolarHBondContact O-N 3.37Å; E261-N265 WeakPolarHBondContact O-CB 3.27Å; E261-N265 PolarHBondContact O-N 3.33Å |
| 262 | I | 95.1 | Very high | 94.7 | Very high | 101 Ų | 101 | 101.4 Ų | 101.4 | 52% | 0.518 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 175.7 | -67 | 165.8 | 0 | 0 | 0 | 111 | L258 T259 L260 N265 T266 | L258-I262 HydrophobicContact CG-CD1 4.17Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.04Å; L258-I262 PolarHBondContact O-N 2.86Å; T259-I262 PolarHBondContact O-N 2.72Å; L260-I262 PolarHBondContact O-N 3.24Å; I262-N265 PolarHBondContact O-N 3.41Å; I262-T266 WeakPolarHBondContact O-CB 3.45Å; I262-T266 PolarHBondContact O-N 2.84Å; I262-T266 PolarHBondContact O-OG1 3.13Å |
| 263 | Q | 96.5 | Very high | 94.8 | Very high | 112 Ų | 112 | 101.7 Ų | 101.7 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.3 | -73.4 | -179.7 | 16.9 | 0 | 0 | 111.4 | T259 L260 T266 K267 | T259-Q263 WeakPolarHBondContact O-CG 3.33Å; T259-Q263 PolarHBondContact O-N 2.86Å; L260-Q263 PolarHBondContact O-N 3.19Å; Q263-T266 WeakPolarHBondContact O-CB 3.34Å; Q263-T266 PolarHBondContact O-N 3.4Å; Q263-K267 VanDerWaalsContact O-CG 3.27Å; Q263-K267 WeakPolarHBondContact O-CG 3.39Å; Q263-K267 PolarHBondContact O-N 2.84Å |
| 264 | L | 95.5 | Very high | 94.8 | Very high | 108 Ų | 108 | 101.6 Ų | 101.6 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -47.3 | 177.7 | -173.1 | 134.9 | 0 | 0 | 0 | 111.2 | L260 E261 T266 K267 D268 | L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.89Å; E261-L264 PolarHBondContact O-N 3.37Å; L264-T266 VanDerWaalsContact C-N 3.31Å; L264-T266 PolarHBondContact O-N 3.38Å; L264-K267 PolarHBondContact O-N 3.06Å; L264-K267 VanDerWaalsContact O-N 3.13Å; L264-D268 VanDerWaalsContact CD2-OD2 3.31Å; L264-D268 WeakPolarHBondContact CD2-OD2 3.48Å; L264-D268 PolarHBondContact O-N 3.28Å |
| 265 | N | 96 | Very high | 94.6 | Very high | 87 Ų | 87 | 99.9 Ų | 99.9 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 175.4 | -171.4 | -1.3 | 0 | 0 | 0 | 112.2 | E261 I262 D268 Q269 | E261-N265 WeakPolarHBondContact O-CB 3.27Å; E261-N265 PolarHBondContact O-N 3.33Å; I262-N265 PolarHBondContact O-N 3.41Å; N265-D268 PolarHBondContact O-N 3.07Å; N265-Q269 VanDerWaalsContact O-CG 3.3Å; N265-Q269 WeakPolarHBondContact O-CG 3.25Å; N265-Q269 PolarHBondContact O-N 3.3Å; N265-Q269 PolarHBondContact OD1-NE2 2.96Å |
| 266 | T | 95.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.2 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | I262 Q263 L264 Q269 Q270 | I262-T266 WeakPolarHBondContact O-CB 3.45Å; I262-T266 PolarHBondContact O-N 2.84Å; I262-T266 PolarHBondContact O-OG1 3.13Å; Q263-T266 WeakPolarHBondContact O-CB 3.34Å; Q263-T266 PolarHBondContact O-N 3.4Å; L264-T266 VanDerWaalsContact C-N 3.31Å; L264-T266 PolarHBondContact O-N 3.38Å; T266-Q269 PolarHBondContact O-N 2.93Å; T266-Q270 WeakPolarHBondContact O-CG 3.35Å; T266-Q270 PolarHBondContact O-N 3.35Å |
| 267 | K | 95.3 | Very high | 94.1 | Very high | 128 Ų | 128 | 102 Ų | 102 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 176.3 | -68.6 | -70.7 | -179.7 | 173.3 | 0 | 111.6 | Q263 L264 Q269 Q270 I271 | Q263-K267 VanDerWaalsContact O-CG 3.27Å; Q263-K267 WeakPolarHBondContact O-CG 3.39Å; Q263-K267 PolarHBondContact O-N 2.84Å; L264-K267 PolarHBondContact O-N 3.06Å; L264-K267 VanDerWaalsContact O-N 3.13Å; K267-Q269 VanDerWaalsContact C-N 3.31Å; K267-Q269 PolarHBondContact O-N 3.5Å; K267-Q270 WeakPolarHBondContact O-CB 3.36Å; K267-Q270 PolarHBondContact O-N 2.87Å; K267-I271 VanDerWaalsContact O-CG1 3.29Å; K267-I271 WeakPolarHBondContact O-CG1 3.41Å; K267-I271 PolarHBondContact O-N 3.45Å |
| 268 | D | 95.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 101.4 Ų | 101.4 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 175.4 | -71.6 | -20.9 | 0 | 0 | 0 | 111.8 | L264 N265 I271 K272 | L264-D268 VanDerWaalsContact CD2-OD2 3.31Å; L264-D268 WeakPolarHBondContact CD2-OD2 3.48Å; L264-D268 PolarHBondContact O-N 3.28Å; N265-D268 PolarHBondContact O-N 3.07Å; D268-I271 PolarHBondContact O-N 3.12Å; D268-K272 WeakPolarHBondContact O-CG 3.39Å; D268-K272 PolarHBondContact O-N 2.98Å |
| 269 | Q | 95.5 | Very high | 92.7 | Very high | 101 Ų | 101 | 103.2 Ų | 103.2 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 173.6 | -72.3 | 173.9 | 19.3 | 0 | 0 | 112.2 | N265 T266 K267 I271 K272 Q273 | N265-Q269 VanDerWaalsContact O-CG 3.3Å; N265-Q269 WeakPolarHBondContact O-CG 3.25Å; N265-Q269 PolarHBondContact O-N 3.3Å; N265-Q269 PolarHBondContact OD1-NE2 2.96Å; T266-Q269 PolarHBondContact O-N 2.93Å; K267-Q269 VanDerWaalsContact C-N 3.31Å; K267-Q269 PolarHBondContact O-N 3.5Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; Q269-K272 PolarHBondContact O-N 3.37Å; Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.86Å |
| 270 | Q | 94.8 | Very high | 91.7 | Very high | 91 Ų | 91 | 105.6 Ų | 105.6 | 43% | 0.425 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 174.2 | -72.9 | 177.6 | -17.4 | 0 | 0 | 111.6 | T266 K267 Q273 M274 | T266-Q270 WeakPolarHBondContact O-CG 3.35Å; T266-Q270 PolarHBondContact O-N 3.35Å; K267-Q270 WeakPolarHBondContact O-CB 3.36Å; K267-Q270 PolarHBondContact O-N 2.87Å; Q270-Q273 PolarHBondContact O-N 3.37Å; Q270-M274 WeakPolarHBondContact O-CG 3.36Å; Q270-M274 PolarHBondContact O-N 2.96Å |
| 271 | I | 94.2 | Very high | 90.7 | Very high | 74 Ų | 74 | 103.7 Ų | 103.7 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 175.7 | -68.5 | 167 | 0 | 0 | 0 | 110.3 | K267 D268 Q269 Q273 M274 E275 | K267-I271 VanDerWaalsContact O-CG1 3.29Å; K267-I271 WeakPolarHBondContact O-CG1 3.41Å; K267-I271 PolarHBondContact O-N 3.45Å; D268-I271 PolarHBondContact O-N 3.12Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 3.38Å; I271-M274 HydrophobicContact CB-CE 4.44Å; I271-M274 HydrophobicContact CG1-CE 4.02Å; I271-M274 PolarHBondContact O-N 3.42Å; I271-M274 VanDerWaalsContact O-N 3.12Å; I271-E275 HydrophobicContact CG2-CG 4.38Å; I271-E275 WeakPolarHBondContact O-CG 3.27Å; I271-E275 PolarHBondContact O-N 3.5Å |
| 272 | K | 93.8 | Very high | 89.2 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.9 | -74.2 | 174.7 | -178.2 | 177.8 | 0 | 112.9 | D268 Q269 E275 E276 | D268-K272 WeakPolarHBondContact O-CG 3.39Å; D268-K272 PolarHBondContact O-N 2.98Å; Q269-K272 PolarHBondContact O-N 3.37Å; K272-E275 PolarHBondContact O-N 3.17Å; K272-E276 WeakPolarHBondContact O-CB 3.45Å; K272-E276 WeakPolarHBondContact O-CG 3.17Å; K272-E276 PolarHBondContact O-N 3.38Å |
| 273 | Q | 93.5 | Very high | 87.6 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175 | -74.4 | 174.7 | -5.6 | 0 | 0 | 111.7 | Q269 Q270 I271 E276 H277 | Q269-Q273 WeakPolarHBondContact O-CG 3.35Å; Q269-Q273 PolarHBondContact O-N 2.86Å; Q270-Q273 PolarHBondContact O-N 3.37Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 3.38Å; Q273-E276 PolarHBondContact O-N 3.18Å; Q273-H277 PolarHBondContact O-CD2 3.05Å; Q273-H277 PolarHBondContact O-N 3.16Å |
| 274 | M | 91 | Very high | 85.6 | Confident | 112 Ų | 112 | 107 Ų | 107 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 175.8 | -70.2 | -175.7 | -61.9 | 0 | 0 | 111.8 | Q270 I271 H277 I278 | Q270-M274 WeakPolarHBondContact O-CG 3.36Å; Q270-M274 PolarHBondContact O-N 2.96Å; I271-M274 HydrophobicContact CB-CE 4.44Å; I271-M274 HydrophobicContact CG1-CE 4.02Å; I271-M274 PolarHBondContact O-N 3.42Å; I271-M274 VanDerWaalsContact O-N 3.12Å; M274-H277 PolarHBondContact O-N 3.23Å; M274-I278 VanDerWaalsContact O-CG1 3.27Å; M274-I278 WeakPolarHBondContact O-CG1 3.4Å; M274-I278 PolarHBondContact O-N 2.96Å |
| 275 | E | 90.9 | Very high | 83.5 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 174.5 | -71.7 | 174.3 | 165.8 | 0 | 0 | 111.2 | I271 K272 H277 I278 H279 | I271-E275 HydrophobicContact CG2-CG 4.38Å; I271-E275 WeakPolarHBondContact O-CG 3.27Å; I271-E275 PolarHBondContact O-N 3.5Å; K272-E275 PolarHBondContact O-N 3.17Å; E275-H277 PolarHBondContact O-N 3.1Å; E275-I278 PolarHBondContact O-N 3.37Å; E275-H279 WeakPolarHBondContact O-CB 3.38Å; E275-H279 PolarHBondContact O-CD2 3.35Å; E275-H279 PolarHBondContact O-N 3.48Å |
| 276 | E | 88.4 | Confident | 81.4 | Confident | 113 Ų | 113 | 107.3 Ų | 107.3 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 174.8 | -76.2 | 173.5 | -169.5 | 0 | 0 | 111.5 | K272 Q273 I278 H279 H280 | K272-E276 WeakPolarHBondContact O-CB 3.45Å; K272-E276 WeakPolarHBondContact O-CG 3.17Å; K272-E276 PolarHBondContact O-N 3.38Å; Q273-E276 PolarHBondContact O-N 3.18Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.48Å; E276-H279 PolarHBondContact O-N 3.3Å; E276-H280 WeakPolarHBondContact O-CB 3.43Å; E276-H280 PolarHBondContact O-N 3.46Å; E276-H280 PolarHBondContact O-ND1 3.07Å |
| 277 | H | 86.5 | Confident | 79.2 | Confident | 140 Ų | 140 | 110.7 Ų | 110.7 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62 | -38.4 | 176.9 | -79.5 | -66.8 | 0 | 0 | 0 | 112.6 | Q273 M274 E275 S281 | Q273-H277 PolarHBondContact O-CD2 3.05Å; Q273-H277 PolarHBondContact O-N 3.16Å; M274-H277 PolarHBondContact O-N 3.23Å; E275-H277 PolarHBondContact O-N 3.1Å; H277-S281 VanDerWaalsContact O-CB 3.3Å; H277-S281 WeakPolarHBondContact O-CB 3.49Å; H277-S281 PolarHBondContact O-N 2.67Å |
| 278 | I | 82.6 | Confident | 76.7 | Confident | 116 Ų | 116 | 111.5 Ų | 111.5 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.7 | -43.1 | 175.2 | -67.8 | 166.7 | 0 | 0 | 0 | 110.5 | M274 E275 E276 S281 N282 | M274-I278 VanDerWaalsContact O-CG1 3.27Å; M274-I278 WeakPolarHBondContact O-CG1 3.4Å; M274-I278 PolarHBondContact O-N 2.96Å; E275-I278 PolarHBondContact O-N 3.37Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.48Å; I278-S281 PolarHBondContact O-N 2.83Å; I278-N282 WeakPolarHBondContact O-CB 3.45Å; I278-N282 PolarHBondContact O-N 3.34Å |
| 279 | H | 78.8 | Confident | 74.3 | Confident | 132 Ų | 132 | 114 Ų | 114 | 61% | 0.611 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.4 | -41.8 | 177.5 | -78 | -60.8 | 0 | 0 | 0 | 113 | E275 E276 N282 N283 | E275-H279 WeakPolarHBondContact O-CB 3.38Å; E275-H279 PolarHBondContact O-CD2 3.35Å; E275-H279 PolarHBondContact O-N 3.48Å; E276-H279 PolarHBondContact O-N 3.3Å; H279-N282 PolarHBondContact O-N 3.39Å; H279-N283 PolarHBondContact O-N 3.04Å |
| 280 | H | 75.6 | Confident | 71.8 | Confident | 123 Ų | 123 | 117.8 Ų | 117.8 | 57% | 0.569 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.4 | -37.9 | 176.1 | -73.6 | 86.9 | 0 | 0 | 0 | 112 | E276 N284 | E276-H280 WeakPolarHBondContact O-CB 3.43Å; E276-H280 PolarHBondContact O-N 3.46Å; E276-H280 PolarHBondContact O-ND1 3.07Å; H280-N284 PolarHBondContact O-N 2.81Å |
| 281 | S | 73.4 | Confident | 69.4 | Low | 70 Ų | 70 | 119 Ų | 119 | 49% | 0.49 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.9 | -39.1 | 175 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | H277 I278 | H277-S281 VanDerWaalsContact O-CB 3.3Å; H277-S281 WeakPolarHBondContact O-CB 3.49Å; H277-S281 PolarHBondContact O-N 2.67Å; I278-S281 PolarHBondContact O-N 2.83Å |
| 282 | N | 64 | Low | 67.4 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.6 | -32.3 | -179.6 | -152.2 | 19.1 | 0 | 0 | 0 | 113.1 | I278 H279 N284 N285 | I278-N282 WeakPolarHBondContact O-CB 3.45Å; I278-N282 PolarHBondContact O-N 3.34Å; H279-N282 PolarHBondContact O-N 3.39Å; N282-N284 VanDerWaalsContact C-N 3.33Å; N282-N284 PolarHBondContact O-N 3.36Å; N282-N285 PolarHBondContact O-N 2.81Å |
| 283 | N | 61.1 | Low | 65.5 | Low | 136 Ų | 136 | 119.9 Ų | 119.9 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.4 | -25.8 | 178.3 | -122.9 | 2.6 | 0 | 0 | 0 | 113.2 | H279 | H279-N283 PolarHBondContact O-N 3.04Å |
| 284 | N | 55.6 | Low | 63.7 | Low | 132 Ų | 132 | 120.2 Ų | 120.2 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81 | -15.3 | 176 | -75.1 | -17.2 | 0 | 0 | 0 | 113.6 | H280 N282 | H280-N284 PolarHBondContact O-N 2.81Å; N282-N284 VanDerWaalsContact C-N 3.33Å; N282-N284 PolarHBondContact O-N 3.36Å |
| 285 | N | 52.4 | Low | 62 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 56% | 0.561 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 10.1 | -176.1 | -79.3 | -12.1 | 0 | 0 | 0 | 115 | N282 N287 | N282-N285 PolarHBondContact O-N 2.81Å; N285-N287 VanDerWaalsContact C-N 3.29Å; N285-N287 PolarHBondContact O-N 3.45Å |
| 286 | S | 51.8 | Low | 60.2 | Low | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 5.1 | 175.1 | -72.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 287 | N | 48.3 | Very low | 58.7 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -118 | 115.7 | 171.4 | -68.7 | -32.2 | 0 | 0 | 0 | 109.5 | N285 | N285-N287 VanDerWaalsContact C-N 3.29Å; N285-N287 PolarHBondContact O-N 3.45Å |
| 288 | N | 43.5 | Very low | 57.6 | Low | 146 Ų | 146 | 117.1 Ų | 117.1 | 78% | 0.781 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 82.6 | 101.3 | 165.2 | -59 | -20.6 | 0 | 0 | 0 | 117.5 | ||
| 289 | T | 44.3 | Very low | 56.6 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | 52.9 | 98.9 | 129.4 | 47.9 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 290 | E | 42.7 | Very low | 55.5 | Low | 181 Ų | 181 | 115.2 Ų | 115.2 | 85% | 0.846 | 65% | 0.647 | S | S | * | * | S | Bend | 45.6 | 109.5 | 124.7 | -62.3 | -178.7 | 174.5 | 0 | 0 | 117.4 | |||
| 291 | S | 45 | Very low | 54.6 | Low | 116 Ų | 116 | 115 Ų | 115 | 81% | 0.811 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 89.4 | 45 | 145.1 | -48.7 | 0 | 0 | 0 | 0 | 120.1 | ||
| 292 | S | 52.8 | Low | 53.8 | Low | 73 Ų | 73 | 116.3 Ų | 116.3 | 51% | 0.51 | 65% | 0.649 | S | S | . | * | trans | -140 | 13.2 | 170.7 | -86.4 | 0 | 0 | 0 | 0 | 118.9 | C294 I295 | S292-C294 VanDerWaalsContact C-N 3.27Å; S292-C294 PolarHBondContact O-N 3.42Å; S292-I295 PolarHBondContact O-N 3.03Å; S292-I295 VanDerWaalsContact O-N 3.16Å | ||
| 293 | I | 54.1 | Low | 53.6 | Low | 143 Ų | 143 | 114.5 Ų | 114.5 | 73% | 0.733 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -17.3 | -167.3 | -65.4 | 171.2 | 0 | 0 | 0 | 115.3 | ||
| 294 | C | 54.3 | Low | 53.3 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -10.3 | 177.3 | -67.5 | 0 | 0 | 0 | 0 | 115.2 | S292 | S292-C294 VanDerWaalsContact C-N 3.27Å; S292-C294 PolarHBondContact O-N 3.42Å |
| 295 | I | 55.8 | Low | 53.3 | Low | 90 Ų | 90 | 116.4 Ų | 116.4 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | -24.6 | -169.7 | -63 | 173.7 | 0 | 0 | 0 | 112.5 | S292 S298 K299 | S292-I295 PolarHBondContact O-N 3.03Å; S292-I295 VanDerWaalsContact O-N 3.16Å; I295-S298 PolarHBondContact O-N 3.02Å; I295-K299 HydrophobicContact CG2-CD 4.34Å; I295-K299 PolarHBondContact O-N 2.85Å |
| 296 | D | 53.5 | Low | 53.5 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 54% | 0.535 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -85.2 | -27.3 | -167 | -75.5 | -19.6 | 0 | 0 | 0 | 115.3 | S298 K299 S300 | D296-S298 PolarHBondContact O-N 3.44Å; D296-K299 PolarHBondContact O-N 3.27Å; D296-S300 PolarHBondContact O-N 3.46Å |
| 297 | M | 55.8 | Low | 53 | Low | 144 Ų | 144 | 117.8 Ų | 117.8 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.1 | -31.1 | 170.5 | -84.4 | -175.7 | -80.6 | 0 | 0 | 112.1 | L301 | M297-L301 PolarHBondContact O-N 2.79Å |
| 298 | S | 64.5 | Low | 52.8 | Low | 69 Ų | 69 | 116.8 Ų | 116.8 | 48% | 0.483 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.4 | -37.4 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | I295 D296 I302 | I295-S298 PolarHBondContact O-N 3.02Å; D296-S298 PolarHBondContact O-N 3.44Å; S298-I302 WeakPolarHBondContact O-CB 3.29Å; S298-I302 WeakPolarHBondContact O-CD1 3.3Å; S298-I302 WeakPolarHBondContact O-CG1 3.46Å; S298-I302 PolarHBondContact O-N 2.95Å; S298-I302 VanDerWaalsContact O-N 3.1Å |
| 299 | K | 60.6 | Low | 52.6 | Low | 130 Ų | 130 | 118.5 Ų | 118.5 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73 | -34.2 | -178.4 | -70.9 | 178.4 | -179 | 168.4 | 0 | 113.3 | I295 D296 I302 A303 | I295-K299 HydrophobicContact CG2-CD 4.34Å; I295-K299 PolarHBondContact O-N 2.85Å; D296-K299 PolarHBondContact O-N 3.27Å; K299-I302 PolarHBondContact O-N 2.96Å; K299-A303 PolarHBondContact O-N 3Å |
| 300 | S | 56.9 | Low | 52.4 | Low | 78 Ų | 78 | 119.5 Ų | 119.5 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -69.4 | -43.1 | 177.2 | -165.7 | 0 | 0 | 0 | 0 | 112.1 | D296 I302 A303 E304 | D296-S300 PolarHBondContact O-N 3.46Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact O-N 3.25Å; S300-A303 PolarHBondContact O-N 3.16Å; S300-E304 PolarHBondContact O-N 3.37Å |
| 301 | L | 55.7 | Low | 52.9 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.4 | -27.5 | 174.7 | -80.8 | 163.9 | 0 | 0 | 0 | 112.5 | M297 L305 | M297-L301 PolarHBondContact O-N 2.79Å; L301-L305 WeakPolarHBondContact O-CD1 3.37Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.49Å |
| 302 | I | 57.9 | Low | 53.4 | Low | 98 Ų | 98 | 115.8 Ų | 115.8 | 50% | 0.503 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -78.6 | -34 | 176.5 | -68.8 | 166.3 | 0 | 0 | 0 | 111.8 | S298 K299 S300 I306 | S298-I302 WeakPolarHBondContact O-CB 3.29Å; S298-I302 WeakPolarHBondContact O-CD1 3.3Å; S298-I302 WeakPolarHBondContact O-CG1 3.46Å; S298-I302 PolarHBondContact O-N 2.95Å; S298-I302 VanDerWaalsContact O-N 3.1Å; K299-I302 PolarHBondContact O-N 2.96Å; S300-I302 VanDerWaalsContact C-N 3.26Å; S300-I302 PolarHBondContact O-N 3.25Å; I302-I306 HydrophobicContact CG2-CD1 3.74Å; I302-I306 WeakPolarHBondContact O-CD1 3.47Å; I302-I306 WeakPolarHBondContact O-CG1 3.32Å |
| 303 | A | 58.3 | Low | 53.4 | Low | 75 Ų | 75 | 118.6 Ų | 118.6 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -70.9 | -32.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K299 S300 L305 | K299-A303 PolarHBondContact O-N 3Å; S300-A303 PolarHBondContact O-N 3.16Å; A303-L305 VanDerWaalsContact C-N 3.28Å; A303-L305 PolarHBondContact O-N 3.46Å |
| 304 | E | 55.2 | Low | 53.1 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -10.9 | -179.5 | -156 | 154.7 | -166.6 | 0 | 0 | 113.3 | S300 | S300-E304 PolarHBondContact O-N 3.37Š|
| 305 | L | 55.4 | Low | 53.2 | Low | 150 Ų | 150 | 119 Ų | 119 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -0.8 | 177.1 | -69.3 | 174.8 | 0 | 0 | 0 | 114.4 | L301 A303 | L301-L305 WeakPolarHBondContact O-CD1 3.37Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.49Å; A303-L305 VanDerWaalsContact C-N 3.28Å; A303-L305 PolarHBondContact O-N 3.46Å |
| 306 | I | 58.1 | Low | 53.8 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -119.8 | 0.4 | -167.4 | -63.2 | 175.6 | 0 | 0 | 0 | 115.2 | I302 | I302-I306 HydrophobicContact CG2-CD1 3.74Å; I302-I306 WeakPolarHBondContact O-CD1 3.47Å; I302-I306 WeakPolarHBondContact O-CG1 3.32Å |
| 307 | S | 41.2 | Very low | 54.5 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | trans | -146.4 | 121.8 | 171.9 | -105.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 308 | P | 43.7 | Very low | 55.3 | Low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | trans | -85 | 160.5 | 171.9 | 36.2 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 309 | E | 38.1 | Very low | 55.8 | Low | 183 Ų | 183 | 124 Ų | 124 | 86% | 0.855 | 68% | 0.681 | S | S | * | * | trans | 81.1 | 86.5 | 168.5 | -59.4 | -173.1 | 141.5 | 0 | 0 | 118.9 | ||||
| 310 | T | 41.1 | Very low | 56.2 | Low | 140 Ų | 140 | 121.9 Ų | 121.9 | 86% | 0.859 | 68% | 0.676 | S | S | * | * | -166 | 125.5 | 128.1 | -0.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 311 | P | 53.1 | Low | 56.9 | Low | 110 Ų | 110 | 120.8 Ų | 120.8 | 71% | 0.714 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 141.7 | -174.8 | 32.5 | -31.2 | 0 | 0 | 0 | 112.4 | ||
| 312 | P | 54.7 | Low | 57.7 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 158.4 | 168.2 | 29.2 | -30.7 | 0 | 0 | 0 | 111.5 | Q314 | P312-Q314 PolarHBondContact O-N 3.49Š|
| 313 | P | 53.7 | Low | 58.1 | Low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 127.8 | -167.9 | -16.9 | 29.2 | 0 | 0 | 0 | 112.9 | L315 | P313-L315 PolarHBondContact O-N 2.7Š|
| 314 | Q | 48 | Very low | 58.3 | Low | 183 Ų | 183 | 126.2 Ų | 126.2 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 119.7 | 179.3 | -66.7 | 176.3 | -15.9 | 0 | 0 | 111 | P312 T316 | P312-Q314 PolarHBondContact O-N 3.49Å; Q314-T316 PolarHBondContact O-N 2.84Å |
| 315 | L | 56.7 | Low | 58.6 | Low | 86 Ų | 86 | 123.3 Ų | 123.3 | 45% | 0.45 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 127.8 | 161.5 | -128.6 | 102.8 | 0 | 0 | 0 | 107.8 | P313 E317 Q319 L320 | P313-L315 PolarHBondContact O-N 2.7Å; L315-E317 PolarHBondContact O-N 3.28Å; L315-Q319 HydrophobicContact CD2-CB 3.9Å; L315-L320 HydrophobicContact CD2-CG 4.2Å |
| 316 | T | 66.8 | Low | 59 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 139.4 | 178.7 | 4.8 | 0 | 0 | 0 | 0 | 110.8 | Q314 E318 Q319 L320 | Q314-T316 PolarHBondContact O-N 2.84Å; T316-E318 PolarHBondContact O-N 2.82Å; T316-E318 VanDerWaalsContact O-N 3.12Å; T316-Q319 WeakPolarHBondContact O-CA 3.43Å; T316-Q319 WeakPolarHBondContact O-CB 3.49Å; T316-Q319 PolarHBondContact O-N 3.07Å; T316-L320 PolarHBondContact O-N 3.42Å |
| 317 | E | 68.3 | Low | 59.1 | Low | 155 Ų | 155 | 120.5 Ų | 120.5 | 72% | 0.724 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -50.9 | -37.3 | 179.9 | -169 | 168.3 | -166.6 | 0 | 0 | 112.3 | L315 Q319 L320 V321 | L315-E317 PolarHBondContact O-N 3.28Å; E317-Q319 VanDerWaalsContact C-N 3.35Å; E317-Q319 PolarHBondContact O-N 3.34Å; E317-L320 PolarHBondContact O-N 2.92Å; E317-V321 WeakPolarHBondContact O-CB 3.48Å; E317-V321 WeakPolarHBondContact O-CG2 3.22Å; E317-V321 PolarHBondContact O-N 3.47Å |
| 318 | E | 73.7 | Confident | 59.9 | Low | 158 Ų | 158 | 118.6 Ų | 118.6 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.5 | -35.3 | 174.8 | -66.4 | -174.2 | 158.1 | 0 | 0 | 114.1 | T316 V321 K322 | T316-E318 PolarHBondContact O-N 2.82Å; T316-E318 VanDerWaalsContact O-N 3.12Å; E318-V321 PolarHBondContact O-N 3.47Å; E318-K322 PolarHBondContact O-N 3.49Å |
| 319 | Q | 73.8 | Confident | 60.6 | Low | 109 Ų | 109 | 119 Ų | 119 | 51% | 0.509 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.5 | -35.2 | 177.7 | -70 | -176.9 | -2.2 | 0 | 0 | 111.4 | L315 T316 E317 R323 | L315-Q319 HydrophobicContact CD2-CB 3.9Å; T316-Q319 WeakPolarHBondContact O-CA 3.43Å; T316-Q319 WeakPolarHBondContact O-CB 3.49Å; T316-Q319 PolarHBondContact O-N 3.07Å; E317-Q319 VanDerWaalsContact C-N 3.35Å; E317-Q319 PolarHBondContact O-N 3.34Å; Q319-R323 PolarHBondContact O-N 3.22Å |
| 320 | L | 69.6 | Low | 61.7 | Low | 86 Ų | 86 | 116.9 Ų | 116.9 | 45% | 0.45 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65 | -44.8 | 170.4 | -81.7 | 160.3 | 0 | 0 | 0 | 110.8 | L315 T316 E317 K322 R323 L324 | L315-L320 HydrophobicContact CD2-CG 4.2Å; T316-L320 PolarHBondContact O-N 3.42Å; E317-L320 PolarHBondContact O-N 2.92Å; L320-K322 PolarHBondContact O-N 2.81Å; L320-R323 PolarHBondContact O-N 2.97Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.36Å; L320-L324 PolarHBondContact O-N 3.24Å |
| 321 | V | 70.9 | Confident | 62.4 | Low | 55 Ų | 55 | 113.9 Ų | 113.9 | 33% | 0.333 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.6 | -43.9 | -178.7 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | E317 E318 L324 N325 I331 | E317-V321 WeakPolarHBondContact O-CB 3.48Å; E317-V321 WeakPolarHBondContact O-CG2 3.22Å; E317-V321 PolarHBondContact O-N 3.47Å; E318-V321 PolarHBondContact O-N 3.47Å; V321-L324 PolarHBondContact O-N 3.17Å; V321-N325 WeakPolarHBondContact O-CB 3.45Å; V321-N325 PolarHBondContact O-N 3.45Å; V321-I331 VanDerWaalsContact CA-CD1 3.41Å; V321-I331 HydrophobicContact CB-CD1 3.82Å; V321-I331 HydrophobicContact CG1-CD1 3.87Å; V321-I331 HydrophobicContact CG2-CD1 3.66Å |
| 322 | K | 72.7 | Confident | 62.8 | Low | 172 Ų | 172 | 111.6 Ų | 111.6 | 75% | 0.748 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64 | -40.1 | 176.1 | -101.7 | 178.6 | 176.8 | 172.2 | 0 | 113.2 | E318 L320 A326 | E318-K322 PolarHBondContact O-N 3.49Å; L320-K322 PolarHBondContact O-N 2.81Å; K322-A326 PolarHBondContact O-N 3.39Å |
| 323 | R | 67.6 | Low | 63.2 | Low | 175 Ų | 175 | 111.7 Ų | 111.7 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.6 | -40.5 | 178.3 | -83.7 | -170.7 | 173.7 | 153.6 | -0.8 | 112.1 | Q319 L320 A326 E327 | Q319-R323 PolarHBondContact O-N 3.22Å; L320-R323 PolarHBondContact O-N 2.97Å; R323-A326 PolarHBondContact O-N 2.99Å; R323-E327 PolarHBondContact O-N 3.1Å |
| 324 | L | 61.5 | Low | 63.8 | Low | 57 Ų | 57 | 110.8 Ų | 110.8 | 30% | 0.298 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.9 | -35.9 | -176.9 | -70.1 | 166.3 | 0 | 0 | 0 | 112.6 | L320 V321 A326 E327 K329 I331 | L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.36Å; L320-L324 PolarHBondContact O-N 3.24Å; V321-L324 PolarHBondContact O-N 3.17Å; L324-A326 VanDerWaalsContact C-N 3.31Å; L324-A326 PolarHBondContact O-N 2.76Å; L324-E327 PolarHBondContact O-N 3.41Å; L324-K329 HydrophobicContact CD2-CD 4.29Å; L324-K329 PolarHBondContact O-N 2.89Å; L324-I331 HydrophobicContact CB-CD1 3.69Å; L324-I331 HydrophobicContact CB-CG1 3.71Å; L324-I331 HydrophobicContact CD1-CD1 3.93Å; L324-I331 HydrophobicContact CD1-CG1 3.95Å; L324-I331 HydrophobicContact CG-CD1 4.46Å; L324-I331 HydrophobicContact CG-CG1 4.47Å |
| 325 | N | 62.4 | Low | 64.8 | Low | 98 Ų | 98 | 113 Ų | 113 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.3 | -29 | 174.4 | -77.4 | -17.7 | 0 | 0 | 0 | 113.1 | V321 E327 G328 | V321-N325 WeakPolarHBondContact O-CB 3.45Å; V321-N325 PolarHBondContact O-N 3.45Å; N325-E327 VanDerWaalsContact C-N 3.33Å; N325-G328 PolarHBondContact O-N 3.03Å |
| 326 | A | 62.9 | Low | 65.6 | Low | 89 Ų | 89 | 112.4 Ų | 112.4 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.9 | -26.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | K322 R323 L324 G328 | K322-A326 PolarHBondContact O-N 3.39Å; R323-A326 PolarHBondContact O-N 2.99Å; L324-A326 VanDerWaalsContact C-N 3.31Å; L324-A326 PolarHBondContact O-N 2.76Å; A326-G328 VanDerWaalsContact C-N 3.29Å; A326-G328 PolarHBondContact O-N 3.06Å |
| 327 | E | 61.6 | Low | 65.9 | Low | 124 Ų | 124 | 114.4 Ų | 114.4 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 5.8 | 177.3 | -73.8 | -176.5 | -179.9 | 0 | 0 | 113.6 | R323 L324 N325 K329 | R323-E327 PolarHBondContact O-N 3.1Å; L324-E327 PolarHBondContact O-N 3.41Å; N325-E327 VanDerWaalsContact C-N 3.33Å; E327-K329 HydrophobicContact CB-CD 4.4Å; E327-K329 HydrophobicContact CB-CG 4.37Å; E327-K329 PolarHBondContact O-N 2.89Å; E327-K329 IonicContact OE2-NZ 2.67Å; E327-K329 PolarHBondContact OE2-NZ 3.35Å |
| 328 | G | 56.3 | Low | 66.1 | Low | 71 Ų | 71 | 113.7 Ų | 113.7 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 12.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N325 A326 M330 | N325-G328 PolarHBondContact O-N 3.03Å; A326-G328 VanDerWaalsContact C-N 3.29Å; A326-G328 PolarHBondContact O-N 3.06Å; G328-M330 PolarHBondContact O-N 2.93Å |
| 329 | K | 59.8 | Low | 66 | Low | 121 Ų | 121 | 111 Ų | 111 | 53% | 0.526 | 58% | 0.576 | S | S | . | * | trans | -87.4 | 100 | 174.9 | -69.1 | 175.3 | -174.5 | 156.3 | 0 | 108.1 | L324 E327 I331 | L324-K329 HydrophobicContact CD2-CD 4.29Å; L324-K329 PolarHBondContact O-N 2.89Å; E327-K329 HydrophobicContact CB-CD 4.4Å; E327-K329 HydrophobicContact CB-CG 4.37Å; E327-K329 PolarHBondContact O-N 2.89Å; E327-K329 IonicContact OE2-NZ 2.67Å; E327-K329 PolarHBondContact OE2-NZ 3.35Å; K329-I331 PolarHBondContact O-N 3.35Å; K329-I331 VanDerWaalsContact O-N 3.11Å | ||
| 330 | M | 60.3 | Low | 65.9 | Low | 140 Ų | 140 | 109.7 Ų | 109.7 | 69% | 0.69 | 58% | 0.577 | S | S | * | * | trans | -60.1 | 113.9 | 174 | -153.5 | 179.6 | 79.6 | 0 | 0 | 108.6 | G328 I332 | G328-M330 PolarHBondContact O-N 2.93Å; M330-I332 HydrophobicContact CE-CD1 4.11Å; M330-I332 HydrophobicContact CE-CG1 3.84Å; M330-I332 WeakPolarHBondContact O-CG1 3.32Å; M330-I332 PolarHBondContact O-N 3.03Å | ||
| 331 | I | 57.2 | Low | 66 | Low | 76 Ų | 76 | 111.9 Ų | 111.9 | 39% | 0.39 | 58% | 0.584 | S | S | . | * | trans | -73.5 | 111.8 | 174.8 | -55.9 | 168.3 | 0 | 0 | 0 | 106.2 | V321 L324 K329 | V321-I331 VanDerWaalsContact CA-CD1 3.41Å; V321-I331 HydrophobicContact CB-CD1 3.82Å; V321-I331 HydrophobicContact CG1-CD1 3.87Å; V321-I331 HydrophobicContact CG2-CD1 3.66Å; L324-I331 HydrophobicContact CB-CD1 3.69Å; L324-I331 HydrophobicContact CB-CG1 3.71Å; L324-I331 HydrophobicContact CD1-CD1 3.93Å; L324-I331 HydrophobicContact CD1-CG1 3.95Å; L324-I331 HydrophobicContact CG-CD1 4.46Å; L324-I331 HydrophobicContact CG-CG1 4.47Å; K329-I331 PolarHBondContact O-N 3.35Å; K329-I331 VanDerWaalsContact O-N 3.11Å | ||
| 332 | I | 60.7 | Low | 66.4 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 32% | 0.318 | 60% | 0.596 | S | S | . | * | trans | -98.9 | 117.7 | 177.6 | -41 | 174.8 | 0 | 0 | 0 | 106.7 | M330 S334 R339 | M330-I332 HydrophobicContact CE-CD1 4.11Å; M330-I332 HydrophobicContact CE-CG1 3.84Å; M330-I332 WeakPolarHBondContact O-CG1 3.32Å; M330-I332 PolarHBondContact O-N 3.03Å; I332-S334 PolarHBondContact O-N 3.03Å; I332-S334 VanDerWaalsContact O-N 3.12Å; I332-R339 HydrophobicContact CG2-CB 4.48Å; I332-R339 HydrophobicContact CG2-CG 3.47Å; I332-R339 VanDerWaalsContact CG2-CG 3.47Å | ||
| 333 | D | 62.7 | Low | 67 | Low | 112 Ų | 112 | 110.6 Ų | 110.6 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | trans | -60.3 | 114.7 | -178.9 | -155.6 | -11.3 | 0 | 0 | 0 | 109.4 | R335 D336 | D333-R335 PolarHBondContact O-N 2.84Å; D333-D336 PolarHBondContact O-N 3.36Å | ||
| 334 | S | 66.4 | Low | 67.7 | Low | 114 Ų | 114 | 109 Ų | 109 | 80% | 0.797 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -9.3 | -173.7 | -68.8 | 0 | 0 | 0 | 0 | 113.1 | I332 | I332-S334 PolarHBondContact O-N 3.03Å; I332-S334 VanDerWaalsContact O-N 3.12Å |
| 335 | R | 69.4 | Low | 68.8 | Low | 230 Ų | 230 | 111.2 Ų | 111.2 | 87% | 0.868 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -1.7 | -177.3 | -66.7 | -175.9 | 178 | 173.5 | 1.6 | 114.6 | D333 P337 | D333-R335 PolarHBondContact O-N 2.84Å; R335-P337 VanDerWaalsContact O-CD 3.24Å; R335-P337 WeakPolarHBondContact O-CD 3.31Å |
| 336 | D | 72.4 | Confident | 70.1 | Confident | 73 Ų | 73 | 110.9 Ų | 110.9 | 39% | 0.39 | 59% | 0.589 | S | S | . | * | trans | -80.6 | 114.4 | 178.4 | -175.4 | 3.4 | 0 | 0 | 0 | 111 | D333 N338 R339 | D333-D336 PolarHBondContact O-N 3.36Å; D336-N338 PolarHBondContact O-N 3.38Å; D336-N338 PolarHBondContact OD1-N 2.73Å; D336-R339 HydrophobicContact CB-CB 4.41Å; D336-R339 WeakPolarHBondContact O-CB 3.2Å; D336-R339 PolarHBondContact O-N 3.48Å; D336-R339 VanDerWaalsContact O-N 3.14Å | ||
| 337 | P | 74.6 | Confident | 71.4 | Confident | 125 Ų | 125 | 110.6 Ų | 110.6 | 81% | 0.812 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -18.1 | 175.3 | 26.2 | -33.1 | 0 | 0 | 0 | 113.5 | R335 | R335-P337 VanDerWaalsContact O-CD 3.24Å; R335-P337 WeakPolarHBondContact O-CD 3.31Å |
| 338 | N | 73 | Confident | 72.7 | Confident | 140 Ų | 140 | 112.1 Ų | 112.1 | 75% | 0.749 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 11.4 | 176.1 | -60.2 | -55.1 | 0 | 0 | 0 | 113 | D336 | D336-N338 PolarHBondContact O-N 3.38Å; D336-N338 PolarHBondContact OD1-N 2.73Å |
| 339 | R | 71.4 | Confident | 74.2 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | trans | -52.2 | 125.9 | 174.9 | 171.8 | 170.1 | -176.4 | -107.4 | -1.4 | 109.8 | I332 D336 H341 | I332-R339 HydrophobicContact CG2-CB 4.48Å; I332-R339 HydrophobicContact CG2-CG 3.47Å; I332-R339 VanDerWaalsContact CG2-CG 3.47Å; D336-R339 HydrophobicContact CB-CB 4.41Å; D336-R339 WeakPolarHBondContact O-CB 3.2Å; D336-R339 PolarHBondContact O-N 3.48Å; D336-R339 VanDerWaalsContact O-N 3.14Å; R339-H341 PolarHBondContact O-N 2.85Å | ||
| 340 | P | 70.8 | Confident | 75.7 | Confident | 82 Ų | 82 | 110.2 Ų | 110.2 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | trans | -61.2 | 103.7 | 175.1 | 20.6 | -27.9 | 0 | 0 | 0 | 108.8 | F342 | P340-F342 HydrophobicContact CB-CE2 4.18Å; P340-F342 HydrophobicContact CB-CZ 4.49Å | ||
| 341 | H | 72.2 | Confident | 77.1 | Confident | 131 Ų | 131 | 106.8 Ų | 106.8 | 61% | 0.606 | 54% | 0.54 | S | S | * | . | trans | -108.5 | 104.3 | 180 | -175.8 | -70.9 | 0 | 0 | 0 | 107.6 | R339 | R339-H341 PolarHBondContact O-N 2.85Š| ||
| 342 | F | 79.8 | Confident | 78.6 | Confident | 130 Ų | 130 | 106.8 Ų | 106.8 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | trans | -89.6 | 127.3 | 169.9 | -56.5 | -78.7 | 0 | 0 | 0 | 108.6 | P340 E346 L347 | P340-F342 HydrophobicContact CB-CE2 4.18Å; P340-F342 HydrophobicContact CB-CZ 4.49Å; F342-E346 HydrophobicContact CB-CB 4.49Å; F342-L347 HydrophobicContact CB-CB 4.39Å | ||
| 343 | T | 83.4 | Confident | 80.2 | Confident | 71 Ų | 71 | 109.2 Ų | 109.2 | 44% | 0.436 | 55% | 0.55 | S | S | . | * | trans | -61.4 | 146.9 | 163.2 | -43.2 | 0 | 0 | 0 | 0 | 108.3 | Q345 E346 L347 | T343-Q345 HydrophobicContact CG2-CB 4.39Å; T343-Q345 PolarHBondContact O-N 2.93Å; T343-Q345 VanDerWaalsContact O-N 3.08Å; T343-E346 VanDerWaalsContact CB-OE2 3.32Å; T343-E346 WeakPolarHBondContact CB-OE2 3.39Å; T343-E346 PolarHBondContact N-OE2 3.48Å; T343-E346 WeakPolarHBondContact O-CA 3.36Å; T343-E346 WeakPolarHBondContact O-CB 3.37Å; T343-E346 PolarHBondContact O-N 2.95Å; T343-E346 PolarHBondContact OG1-OE2 2.84Å; T343-L347 PolarHBondContact O-N 3.29Å | ||
| 344 | L | 82.9 | Confident | 81.6 | Confident | 141 Ų | 141 | 108.8 Ų | 108.8 | 74% | 0.738 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55.1 | -32.7 | 177.3 | -170 | 130.8 | 0 | 0 | 0 | 112 | R348 | L344-R348 WeakPolarHBondContact O-CB 3.18Å; L344-R348 PolarHBondContact O-N 3.48Å |
| 345 | Q | 85.8 | Confident | 82.7 | Confident | 104 Ų | 104 | 106.5 Ų | 106.5 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 172.4 | -170.6 | 60.7 | 34.5 | 0 | 0 | 112.9 | T343 R348 N349 | T343-Q345 HydrophobicContact CG2-CB 4.39Å; T343-Q345 PolarHBondContact O-N 2.93Å; T343-Q345 VanDerWaalsContact O-N 3.08Å; Q345-R348 PolarHBondContact O-N 3.18Å; Q345-N349 PolarHBondContact NE2-OD1 2.92Å; Q345-N349 VanDerWaalsContact NE2-OD1 3.12Å; Q345-N349 WeakPolarHBondContact O-CB 3.24Å; Q345-N349 PolarHBondContact O-N 2.99Å; Q345-N349 PolarHBondContact O-OD1 3.3Å |
| 346 | E | 88.2 | Confident | 83.8 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 176.2 | -68.3 | 170.3 | 145.1 | 0 | 0 | 110.7 | F342 T343 R348 N349 V350 | F342-E346 HydrophobicContact CB-CB 4.49Å; T343-E346 VanDerWaalsContact CB-OE2 3.32Å; T343-E346 WeakPolarHBondContact CB-OE2 3.39Å; T343-E346 PolarHBondContact N-OE2 3.48Å; T343-E346 WeakPolarHBondContact O-CA 3.36Å; T343-E346 WeakPolarHBondContact O-CB 3.37Å; T343-E346 PolarHBondContact O-N 2.95Å; T343-E346 PolarHBondContact OG1-OE2 2.84Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.17Å; E346-N349 PolarHBondContact O-N 2.65Å; E346-V350 WeakPolarHBondContact O-CB 3.49Å; E346-V350 VanDerWaalsContact O-CG2 3.28Å; E346-V350 WeakPolarHBondContact O-CG2 3.18Å; E346-V350 PolarHBondContact O-N 2.88Å |
| 347 | L | 91.3 | Very high | 84.9 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 44% | 0.44 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 175.4 | -175.6 | 63.3 | 0 | 0 | 0 | 111.2 | F342 T343 V350 L351 | F342-L347 HydrophobicContact CB-CB 4.39Å; T343-L347 PolarHBondContact O-N 3.29Å; L347-V350 PolarHBondContact O-N 3.37Å; L347-L351 HydrophobicContact CD1-CD1 4.43Å; L347-L351 HydrophobicContact CD1-CG 4.39Å; L347-L351 HydrophobicContact CG-CD1 4.07Å; L347-L351 HydrophobicContact CG-CG 4.45Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.27Å |
| 348 | R | 87.6 | Confident | 85.7 | Confident | 155 Ų | 155 | 100.3 Ų | 100.3 | 59% | 0.585 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.4 | -46.5 | 175 | -170.4 | 177.9 | -171.7 | 163.1 | 4.5 | 111.4 | L344 Q345 E346 L351 I352 | L344-R348 WeakPolarHBondContact O-CB 3.18Å; L344-R348 PolarHBondContact O-N 3.48Å; Q345-R348 PolarHBondContact O-N 3.18Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.17Å; R348-L351 PolarHBondContact O-N 3.33Å; R348-I352 HydrophobicContact CG-CD1 3.98Å; R348-I352 WeakPolarHBondContact O-CD1 3.34Å; R348-I352 VanDerWaalsContact O-CG1 3.23Å; R348-I352 WeakPolarHBondContact O-CG1 3.42Å; R348-I352 PolarHBondContact O-N 3.47Å |
| 349 | N | 88.7 | Confident | 86.3 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 177.7 | -68.3 | -7.2 | 0 | 0 | 0 | 111.4 | Q345 E346 L351 I352 E353 | Q345-N349 PolarHBondContact NE2-OD1 2.92Å; Q345-N349 VanDerWaalsContact NE2-OD1 3.12Å; Q345-N349 WeakPolarHBondContact O-CB 3.24Å; Q345-N349 PolarHBondContact O-N 2.99Å; Q345-N349 PolarHBondContact O-OD1 3.3Å; E346-N349 PolarHBondContact O-N 2.65Å; N349-L351 PolarHBondContact O-N 3.47Å; N349-I352 PolarHBondContact O-N 3.26Å; N349-E353 WeakPolarHBondContact O-CB 3.34Å; N349-E353 PolarHBondContact O-N 3.42Å |
| 350 | V | 90.6 | Very high | 87.3 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 44% | 0.436 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.4 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | E346 L347 R354 | E346-V350 WeakPolarHBondContact O-CB 3.49Å; E346-V350 VanDerWaalsContact O-CG2 3.28Å; E346-V350 WeakPolarHBondContact O-CG2 3.18Å; E346-V350 PolarHBondContact O-N 2.88Å; L347-V350 PolarHBondContact O-N 3.37Å; V350-R354 WeakPolarHBondContact O-CB 3.3Å; V350-R354 PolarHBondContact O-N 3.12Å |
| 351 | L | 90.8 | Very high | 88.3 | Confident | 67 Ų | 67 | 98 Ų | 98 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 176.8 | -71 | 171.3 | 0 | 0 | 0 | 111.9 | L347 R348 N349 R354 N355 | L347-L351 HydrophobicContact CD1-CD1 4.43Å; L347-L351 HydrophobicContact CD1-CG 4.39Å; L347-L351 HydrophobicContact CG-CD1 4.07Å; L347-L351 HydrophobicContact CG-CG 4.45Å; L347-L351 WeakPolarHBondContact O-CB 3.25Å; L347-L351 WeakPolarHBondContact O-CG 3.38Å; L347-L351 PolarHBondContact O-N 3.27Å; R348-L351 PolarHBondContact O-N 3.33Å; N349-L351 PolarHBondContact O-N 3.47Å; L351-R354 VanDerWaalsContact CD2-NH1 3.33Å; L351-R354 VanDerWaalsContact CD2-NH2 3.34Å; L351-R354 PolarHBondContact O-NH2 2.85Å; L351-N355 WeakPolarHBondContact O-CB 3.46Å; L351-N355 PolarHBondContact O-N 2.74Å; L351-N355 PolarHBondContact O-ND2 3.22Å; L351-N355 PolarHBondContact O-OD1 3.12Å |
| 352 | I | 89.1 | Confident | 89 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -53.1 | 173.8 | -68.9 | 165.3 | 0 | 0 | 0 | 109.8 | R348 N349 R354 N355 E356 | R348-I352 HydrophobicContact CG-CD1 3.98Å; R348-I352 WeakPolarHBondContact O-CD1 3.34Å; R348-I352 VanDerWaalsContact O-CG1 3.23Å; R348-I352 WeakPolarHBondContact O-CG1 3.42Å; R348-I352 PolarHBondContact O-N 3.47Å; N349-I352 PolarHBondContact O-N 3.26Å; I352-R354 VanDerWaalsContact C-N 3.35Å; I352-R354 PolarHBondContact O-N 2.85Å; I352-N355 CarbonylContact O-C 3.6Å; I352-N355 WeakPolarHBondContact O-CA 3.3Å; I352-N355 WeakPolarHBondContact O-CB 3.45Å; I352-N355 PolarHBondContact O-N 2.94Å; I352-E356 HydrophobicContact CG2-CG 4.39Å; I352-E356 WeakPolarHBondContact O-CG 3.4Å; I352-E356 PolarHBondContact O-N 2.84Å |
| 353 | E | 92.8 | Very high | 89.4 | Confident | 113 Ų | 113 | 95 Ų | 95 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 179.4 | -173.3 | -177.9 | 178.6 | 0 | 0 | 111.4 | N349 N355 E356 L357 | N349-E353 WeakPolarHBondContact O-CB 3.34Å; N349-E353 PolarHBondContact O-N 3.42Å; E353-N355 VanDerWaalsContact C-N 3.28Å; E353-N355 PolarHBondContact O-N 3.43Å; E353-E356 PolarHBondContact O-N 3.01Å; E353-L357 HydrophobicContact CG-CD1 4.01Å; E353-L357 HydrophobicContact CG-CG 4.35Å; E353-L357 WeakPolarHBondContact O-CB 3.43Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.34Å; E353-L357 PolarHBondContact O-N 3.47Å |
| 354 | R | 93.2 | Very high | 89.7 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | 173.4 | 176 | -149 | 59.3 | -178.8 | -10.1 | 111.6 | V350 L351 I352 K358 | V350-R354 WeakPolarHBondContact O-CB 3.3Å; V350-R354 PolarHBondContact O-N 3.12Å; L351-R354 VanDerWaalsContact CD2-NH1 3.33Å; L351-R354 VanDerWaalsContact CD2-NH2 3.34Å; L351-R354 PolarHBondContact O-NH2 2.85Å; I352-R354 VanDerWaalsContact C-N 3.35Å; I352-R354 PolarHBondContact O-N 2.85Å; R354-K358 HydrophobicContact CG-CD 4.45Å; R354-K358 WeakPolarHBondContact O-CB 3.4Å; R354-K358 VanDerWaalsContact O-CG 3.26Å; R354-K358 WeakPolarHBondContact O-CG 3.42Å; R354-K358 PolarHBondContact O-N 3.4Å |
| 355 | N | 89.7 | Confident | 90 | Very high | 65 Ų | 65 | 93.8 Ų | 93.8 | 35% | 0.348 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 178.3 | -73.6 | -5.2 | 0 | 0 | 0 | 111.6 | L351 I352 E353 K358 T359 | L351-N355 WeakPolarHBondContact O-CB 3.46Å; L351-N355 PolarHBondContact O-N 2.74Å; L351-N355 PolarHBondContact O-ND2 3.22Å; L351-N355 PolarHBondContact O-OD1 3.12Å; I352-N355 CarbonylContact O-C 3.6Å; I352-N355 WeakPolarHBondContact O-CA 3.3Å; I352-N355 WeakPolarHBondContact O-CB 3.45Å; I352-N355 PolarHBondContact O-N 2.94Å; E353-N355 VanDerWaalsContact C-N 3.28Å; E353-N355 PolarHBondContact O-N 3.43Å; N355-K358 PolarHBondContact O-N 3.3Å; N355-T359 PolarHBondContact O-N 3.09Å; N355-T359 PolarHBondContact O-OG1 3.2Å |
| 356 | E | 92.2 | Very high | 89.9 | Confident | 98 Ų | 98 | 92 Ų | 92 | 46% | 0.458 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 173.5 | -70.8 | -179.4 | -176.3 | 0 | 0 | 111.5 | I352 E353 T359 R360 | I352-E356 HydrophobicContact CG2-CG 4.39Å; I352-E356 WeakPolarHBondContact O-CG 3.4Å; I352-E356 PolarHBondContact O-N 2.84Å; E353-E356 PolarHBondContact O-N 3.01Å; E356-T359 WeakPolarHBondContact O-CB 2.95Å; E356-T359 PolarHBondContact O-N 3.45Å; E356-T359 VanDerWaalsContact O-N 3.16Å; E356-R360 PolarHBondContact O-N 3.31Å |
| 357 | L | 94.4 | Very high | 89.9 | Confident | 87 Ų | 87 | 93.1 Ų | 93.1 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 177.8 | -71.2 | 174.1 | 0 | 0 | 0 | 112 | E353 T359 R360 L361 | E353-L357 HydrophobicContact CG-CD1 4.01Å; E353-L357 HydrophobicContact CG-CG 4.35Å; E353-L357 WeakPolarHBondContact O-CB 3.43Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.34Å; E353-L357 PolarHBondContact O-N 3.47Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 2.84Å; L357-R360 PolarHBondContact O-N 3.12Å; L357-L361 VanDerWaalsContact O-CB 3.31Å; L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 2.99Å |
| 358 | K | 91.5 | Very high | 89.7 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 172.1 | -81.4 | 179 | 176.6 | -174.3 | 0 | 111.9 | R354 N355 L361 I362 | R354-K358 HydrophobicContact CG-CD 4.45Å; R354-K358 WeakPolarHBondContact O-CB 3.4Å; R354-K358 VanDerWaalsContact O-CG 3.26Å; R354-K358 WeakPolarHBondContact O-CG 3.42Å; R354-K358 PolarHBondContact O-N 3.4Å; N355-K358 PolarHBondContact O-N 3.3Å; K358-L361 PolarHBondContact O-N 3.3Å; K358-I362 WeakPolarHBondContact O-CD1 2.91Å; K358-I362 VanDerWaalsContact O-CG1 3.29Å; K358-I362 WeakPolarHBondContact O-CG1 3.43Å; K358-I362 PolarHBondContact O-N 2.76Å; K358-I362 VanDerWaalsContact O-N 3.08Å |
| 359 | T | 86.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 88.9 Ų | 88.9 | 16% | 0.16 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.9 | -49.2 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | F244 N355 E356 L357 L361 I362 E363 | F244-T359 HydrophobicContact CD1-CG2 4.42Å; F244-T359 HydrophobicContact CD2-CG2 4.06Å; F244-T359 HydrophobicContact CE1-CG2 3.98Å; F244-T359 HydrophobicContact CE2-CG2 3.58Å; F244-T359 WeakPolarHBondContact CE2-OG1 3.4Å; F244-T359 HydrophobicContact CG-CG2 4.47Å; F244-T359 HydrophobicContact CZ-CG2 3.56Å; F244-T359 WeakPolarHBondContact CZ-OG1 3.33Å; N355-T359 PolarHBondContact O-N 3.09Å; N355-T359 PolarHBondContact O-OG1 3.2Å; E356-T359 WeakPolarHBondContact O-CB 2.95Å; E356-T359 PolarHBondContact O-N 3.45Å; E356-T359 VanDerWaalsContact O-N 3.16Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 2.84Å; T359-L361 VanDerWaalsContact C-N 3.31Å; T359-L361 PolarHBondContact O-N 2.87Å; T359-I362 PolarHBondContact O-N 3.29Å; T359-E363 WeakPolarHBondContact O-CG 3.36Å; T359-E363 PolarHBondContact O-N 3.21Å |
| 360 | R | 90.9 | Very high | 89 | Confident | 150 Ų | 150 | 89.1 Ų | 89.1 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 175.4 | -68.2 | -176.3 | -170.8 | 170.5 | 7.3 | 112.6 | E356 L357 E363 V364 | E356-R360 PolarHBondContact O-N 3.31Å; L357-R360 PolarHBondContact O-N 3.12Å; R360-E363 PolarHBondContact O-N 2.88Å; R360-V364 WeakPolarHBondContact O-CG2 3.4Å; R360-V364 PolarHBondContact O-N 2.98Å |
| 361 | L | 92 | Very high | 88.5 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.3 | -176.6 | 67.3 | 0 | 0 | 0 | 110.9 | L357 K358 T359 E363 V364 E365 | L357-L361 VanDerWaalsContact O-CB 3.31Å; L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 2.99Å; K358-L361 PolarHBondContact O-N 3.3Å; T359-L361 VanDerWaalsContact C-N 3.31Å; T359-L361 PolarHBondContact O-N 2.87Å; L361-E363 PolarHBondContact O-N 3.33Å; L361-V364 PolarHBondContact O-N 3.27Å; L361-E365 HydrophobicContact CD1-CG 4.44Å; L361-E365 HydrophobicContact CG-CG 4.41Å; L361-E365 WeakPolarHBondContact O-CB 3.3Å; L361-E365 VanDerWaalsContact O-CG 3.27Å; L361-E365 WeakPolarHBondContact O-CG 3.44Å; L361-E365 PolarHBondContact O-N 3.12Å |
| 362 | I | 87.7 | Confident | 88.1 | Confident | 101 Ų | 101 | 97 Ų | 97 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.8 | -67.2 | 164.1 | 0 | 0 | 0 | 111 | K358 T359 E365 E366 | K358-I362 WeakPolarHBondContact O-CD1 2.91Å; K358-I362 VanDerWaalsContact O-CG1 3.29Å; K358-I362 WeakPolarHBondContact O-CG1 3.43Å; K358-I362 PolarHBondContact O-N 2.76Å; K358-I362 VanDerWaalsContact O-N 3.08Å; T359-I362 PolarHBondContact O-N 3.29Å; I362-E365 PolarHBondContact O-N 3.06Å; I362-E366 WeakPolarHBondContact O-CB 3.49Å; I362-E366 PolarHBondContact O-N 3.07Å |
| 363 | E | 87.4 | Confident | 87.4 | Confident | 98 Ų | 98 | 102.8 Ų | 102.8 | 46% | 0.458 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 176.2 | -71.2 | 175.2 | 172.1 | 0 | 0 | 111.7 | T359 R360 L361 E366 E367 | T359-E363 WeakPolarHBondContact O-CG 3.36Å; T359-E363 PolarHBondContact O-N 3.21Å; R360-E363 PolarHBondContact O-N 2.88Å; L361-E363 PolarHBondContact O-N 3.33Å; E363-E366 PolarHBondContact O-N 2.88Å; E363-E367 WeakPolarHBondContact O-CG 3.45Å; E363-E367 PolarHBondContact O-N 3.03Å |
| 364 | V | 89.9 | Confident | 86.4 | Confident | 74 Ų | 74 | 100.3 Ų | 100.3 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | R360 L361 E366 E367 L368 | R360-V364 WeakPolarHBondContact O-CG2 3.4Å; R360-V364 PolarHBondContact O-N 2.98Å; L361-V364 PolarHBondContact O-N 3.27Å; V364-E366 VanDerWaalsContact C-N 3.26Å; V364-E366 PolarHBondContact O-N 3.43Å; V364-E367 PolarHBondContact O-N 3.32Å; V364-L368 HydrophobicContact CG1-CD1 4.03Å; V364-L368 HydrophobicContact CG1-CG 4.31Å; V364-L368 WeakPolarHBondContact O-CB 3.38Å; V364-L368 VanDerWaalsContact O-CG 3.28Å; V364-L368 WeakPolarHBondContact O-CG 3.17Å; V364-L368 PolarHBondContact O-N 3.29Å |
| 365 | E | 88.5 | Confident | 85 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 174.3 | -78.7 | 179.4 | 164.8 | 0 | 0 | 111.2 | L361 I362 S369 | L361-E365 HydrophobicContact CD1-CG 4.44Å; L361-E365 HydrophobicContact CG-CG 4.41Å; L361-E365 WeakPolarHBondContact O-CB 3.3Å; L361-E365 VanDerWaalsContact O-CG 3.27Å; L361-E365 WeakPolarHBondContact O-CG 3.44Å; L361-E365 PolarHBondContact O-N 3.12Å; I362-E365 PolarHBondContact O-N 3.06Å; E365-S369 WeakPolarHBondContact O-CB 3.45Å; E365-S369 PolarHBondContact O-N 3.45Å |
| 366 | E | 85.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 102 Ų | 102 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 175.1 | 177.1 | 158.3 | -131.7 | 0 | 0 | 112.2 | R240 I362 E363 V364 L368 S369 V370 | R240-E366 VanDerWaalsContact CZ-CD 3.43Å; R240-E366 IonicContact CZ-OE1 3.9Å; R240-E366 IonicContact CZ-OE2 2.6Å; R240-E366 VanDerWaalsContact CZ-OE2 3.3Å; R240-E366 IonicContact NE-OE2 2.71Å; R240-E366 IonicContact NH1-OE1 3.77Å; R240-E366 PolarHBondContact NH1-OE1 3.37Å; R240-E366 IonicContact NH1-OE2 3.78Å; R240-E366 PolarHBondContact NH1-OE2 2.94Å; R240-E366 IonicContact NH2-OE1 3.05Å; R240-E366 PolarHBondContact NH2-OE1 2.98Å; R240-E366 IonicContact NH2-OE2 3.02Å; I362-E366 WeakPolarHBondContact O-CB 3.49Å; I362-E366 PolarHBondContact O-N 3.07Å; E363-E366 PolarHBondContact O-N 2.88Å; V364-E366 VanDerWaalsContact C-N 3.26Å; V364-E366 PolarHBondContact O-N 3.43Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 3.47Å; E366-S369 WeakPolarHBondContact O-CB 3.41Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 PolarHBondContact O-OG 2.94Å; E366-V370 WeakPolarHBondContact O-CG2 3.33Å; E366-V370 PolarHBondContact O-N 3.48Å |
| 367 | E | 87.1 | Confident | 81.5 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 174.4 | -74.3 | -177.4 | -170.1 | 0 | 0 | 111.1 | E363 V364 S369 V370 Y371 | E363-E367 WeakPolarHBondContact O-CG 3.45Å; E363-E367 PolarHBondContact O-N 3.03Å; V364-E367 PolarHBondContact O-N 3.32Å; E367-S369 VanDerWaalsContact C-N 3.27Å; E367-S369 PolarHBondContact O-N 3.35Å; E367-V370 WeakPolarHBondContact O-CB 3.3Å; E367-V370 PolarHBondContact O-N 2.8Å; E367-V370 VanDerWaalsContact O-N 3.15Å; E367-Y371 HydrophobicContact CB-CE2 4.38Å; E367-Y371 WeakPolarHBondContact O-CD2 3.48Å; E367-Y371 PolarHBondContact O-N 3.11Å |
| 368 | L | 86.7 | Confident | 79.4 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -34.4 | 175.2 | -72.7 | 175.7 | 0 | 0 | 0 | 112.3 | V364 E366 Y371 K372 | V364-L368 HydrophobicContact CG1-CD1 4.03Å; V364-L368 HydrophobicContact CG1-CG 4.31Å; V364-L368 WeakPolarHBondContact O-CB 3.38Å; V364-L368 VanDerWaalsContact O-CG 3.28Å; V364-L368 WeakPolarHBondContact O-CG 3.17Å; V364-L368 PolarHBondContact O-N 3.29Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 3.47Å; L368-Y371 PolarHBondContact O-N 3.05Å; L368-K372 VanDerWaalsContact O-CB 3.31Å; L368-K372 WeakPolarHBondContact O-CB 3.32Å; L368-K372 WeakPolarHBondContact O-CG 3.36Å; L368-K372 PolarHBondContact O-N 2.89Å |
| 369 | S | 81.8 | Confident | 77.6 | Confident | 57 Ų | 57 | 103.3 Ų | 103.3 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 175.7 | 82.4 | 0 | 0 | 0 | 0 | 112 | E365 E366 E367 K372 R373 | E365-S369 WeakPolarHBondContact O-CB 3.45Å; E365-S369 PolarHBondContact O-N 3.45Å; E366-S369 WeakPolarHBondContact O-CB 3.41Å; E366-S369 PolarHBondContact O-N 2.96Å; E366-S369 PolarHBondContact O-OG 2.94Å; E367-S369 VanDerWaalsContact C-N 3.27Å; E367-S369 PolarHBondContact O-N 3.35Å; S369-K372 PolarHBondContact O-N 2.84Å; S369-R373 WeakPolarHBondContact O-CB 3.47Å; S369-R373 PolarHBondContact O-N 3.36Å |
| 370 | V | 81 | Confident | 75.5 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.6 | -46.9 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | E366 E367 R373 A374 | E366-V370 WeakPolarHBondContact O-CG2 3.33Å; E366-V370 PolarHBondContact O-N 3.48Å; E367-V370 WeakPolarHBondContact O-CB 3.3Å; E367-V370 PolarHBondContact O-N 2.8Å; E367-V370 VanDerWaalsContact O-N 3.15Å; V370-R373 PolarHBondContact O-N 2.74Å; V370-A374 WeakPolarHBondContact O-CB 3.49Å; V370-A374 PolarHBondContact O-N 3.15Å |
| 371 | Y | 80.7 | Confident | 73.1 | Confident | 163 Ų | 163 | 107.4 Ų | 107.4 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -38.1 | 176.9 | -67.8 | -64.5 | 0 | 0 | 0 | 112.8 | E367 L368 R373 A374 G375 | E367-Y371 HydrophobicContact CB-CE2 4.38Å; E367-Y371 WeakPolarHBondContact O-CD2 3.48Å; E367-Y371 PolarHBondContact O-N 3.11Å; L368-Y371 PolarHBondContact O-N 3.05Å; Y371-R373 VanDerWaalsContact C-N 3.32Å; Y371-R373 PolarHBondContact O-N 3.45Å; Y371-A374 PolarHBondContact O-N 3.25Å; Y371-G375 PolarHBondContact O-N 3.47Å |
| 372 | K | 80.7 | Confident | 70.6 | Confident | 141 Ų | 141 | 108.5 Ų | 108.5 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 173.3 | -81 | 178.3 | 179.3 | 175.4 | 0 | 111.9 | L368 S369 K376 | L368-K372 VanDerWaalsContact O-CB 3.31Å; L368-K372 WeakPolarHBondContact O-CB 3.32Å; L368-K372 WeakPolarHBondContact O-CG 3.36Å; L368-K372 PolarHBondContact O-N 2.89Å; S369-K372 PolarHBondContact O-N 2.84Å; K372-K376 WeakPolarHBondContact O-CB 3.27Å; K372-K376 VanDerWaalsContact O-CG 3.23Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å; K372-K376 PolarHBondContact O-N 2.92Å |
| 373 | R | 75.7 | Confident | 68.4 | Low | 198 Ų | 198 | 111.9 Ų | 111.9 | 75% | 0.747 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.8 | -43.4 | 175.7 | -172.5 | 175.9 | -69.5 | 175 | -0.9 | 111.3 | S369 V370 Y371 S377 | S369-R373 WeakPolarHBondContact O-CB 3.47Å; S369-R373 PolarHBondContact O-N 3.36Å; V370-R373 PolarHBondContact O-N 2.74Å; Y371-R373 VanDerWaalsContact C-N 3.32Å; Y371-R373 PolarHBondContact O-N 3.45Å; R373-S377 PolarHBondContact O-OG 3.38Å |
| 374 | A | 72.1 | Confident | 65.9 | Low | 61 Ų | 61 | 118.1 Ų | 118.1 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.5 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V370 Y371 | V370-A374 WeakPolarHBondContact O-CB 3.49Å; V370-A374 PolarHBondContact O-N 3.15Å; Y371-A374 PolarHBondContact O-N 3.25Å |
| 375 | G | 63.7 | Low | 63.3 | Low | 42 Ų | 42 | 126.6 Ų | 126.6 | 43% | 0.433 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -76.2 | -25.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y371 S377 T378 | Y371-G375 PolarHBondContact O-N 3.47Å; G375-S377 VanDerWaalsContact C-N 3.34Å; G375-T378 PolarHBondContact O-OG1 2.92Å |
| 376 | K | 56.9 | Low | 61.2 | Low | 162 Ų | 162 | 128.9 Ų | 128.9 | 70% | 0.704 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.7 | -26.3 | 174.9 | -78.7 | 176.8 | 179.5 | -171.2 | 0 | 112.8 | K372 T378 | K372-K376 WeakPolarHBondContact O-CB 3.27Å; K372-K376 VanDerWaalsContact O-CG 3.23Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å; K372-K376 PolarHBondContact O-N 2.92Å; K376-T378 VanDerWaalsContact C-N 3.27Å; K376-T378 PolarHBondContact O-N 3.48Å |
| 377 | S | 49.8 | Very low | 59.4 | Low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -11.6 | -179.1 | -60.4 | 0 | 0 | 0 | 0 | 114.5 | R373 G375 | R373-S377 PolarHBondContact O-OG 3.38Å; G375-S377 VanDerWaalsContact C-N 3.34Å |
| 378 | T | 51.5 | Low | 57.9 | Low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -8.4 | -175.4 | 61 | 0 | 0 | 0 | 0 | 115 | G375 K376 | G375-T378 PolarHBondContact O-OG1 2.92Å; K376-T378 VanDerWaalsContact C-N 3.27Å; K376-T378 PolarHBondContact O-N 3.48Å |
| 379 | S | 53.8 | Low | 56.9 | Low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -122.8 | 6.2 | -173.6 | -170.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 380 | H | 42.2 | Very low | 56 | Low | 141 Ų | 141 | 140.6 Ų | 140.6 | 65% | 0.653 | 72% | 0.724 | S | S | * | * | trans | -134.9 | 57.4 | 178.5 | -134.2 | 59.4 | 0 | 0 | 0 | 112.1 | ||||
| 381 | C | 40 | Very low | 54.9 | Low | 121 Ų | 121 | 143 Ų | 143 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -74.4 | 130.3 | 155.7 | -170.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 382 | V | 40.3 | Very low | 53.4 | Low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 84.9 | 73.4 | 176.6 | -160.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 383 | K | 42 | Very low | 52.4 | Low | 172 Ų | 172 | 138.2 Ų | 138.2 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | 177.7 | 99.1 | 138.9 | -94.8 | 158.6 | -171.1 | -175.7 | 0 | 107.5 | ||||
| 384 | R | 34.3 | Very low | 51.8 | Low | 229 Ų | 229 | 135.1 Ų | 135.1 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | 90.3 | 97.1 | 94.3 | -164.8 | -177.9 | -143.6 | -152.7 | 4.2 | 110.8 | D386 | R384-D386 PolarHBondContact O-N 3.37Š| |||
| 385 | W | 35.2 | Very low | 51.1 | Low | 251 Ų | 251 | 138.7 Ų | 138.7 | 95% | 0.951 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -15.6 | 98.6 | 156.9 | -50.7 | 79 | 0 | 0 | 0 | 114.9 | ||
| 386 | D | 44.8 | Very low | 51.1 | Low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | 174.5 | 144.7 | 145.9 | -110.1 | -28.4 | 0 | 0 | 0 | 108.3 | R384 | R384-D386 PolarHBondContact O-N 3.37Š| ||
| 387 | E | 46.8 | Very low | 51.2 | Low | 188 Ų | 188 | 146.5 Ų | 146.5 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | 89.3 | 59.5 | -174 | -55.2 | -159.3 | 167.9 | 0 | 0 | 117.2 | ||||
| 388 | D | 56 | Low | 51.7 | Low | 157 Ų | 157 | 148.5 Ų | 148.5 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -73.6 | 129 | 144.1 | -83 | -36.1 | 0 | 0 | 0 | 108.8 | ||||
| 389 | P | 64.7 | Low | 52.2 | Low | 102 Ų | 102 | 146.7 Ų | 146.7 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | trans | -61 | 144.7 | 170.8 | 25.9 | -31.9 | 0 | 0 | 0 | 109.2 | V391 | P389-V391 PolarHBondContact O-N 3.45Š| ||
| 390 | P | 64.1 | Low | 52.5 | Low | 130 Ų | 130 | 147.7 Ų | 147.7 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | trans | -58.1 | 111 | -175.8 | 23.4 | -32.5 | 0 | 0 | 0 | 109.6 | Q392 | P390-Q392 PolarHBondContact O-N 2.83Š| ||
| 391 | V | 58.2 | Low | 53.4 | Low | 136 Ų | 136 | 149.5 Ų | 149.5 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -65.1 | 102.1 | 169.9 | 173.6 | 0 | 0 | 0 | 0 | 106.1 | P389 G393 | P389-V391 PolarHBondContact O-N 3.45Å; V391-G393 PolarHBondContact O-N 2.91Å | ||
| 392 | Q | 48.2 | Very low | 54.1 | Low | 164 Ų | 164 | 151.6 Ų | 151.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -65.8 | 93.6 | 169.1 | -156.8 | 171.2 | 6.7 | 0 | 0 | 106.3 | P390 | P390-Q392 PolarHBondContact O-N 2.83Š| ||
| 393 | G | 60.4 | Low | 54.7 | Low | 40 Ų | 40 | 152.3 Ų | 152.3 | 41% | 0.412 | 76% | 0.761 | S | S | . | * | trans | -54.1 | 158.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V391 I395 | V391-G393 PolarHBondContact O-N 2.91Å; G393-I395 PolarHBondContact O-N 3.22Å | ||
| 394 | P | 62.8 | Low | 55 | Low | 132 Ų | 132 | 154.3 Ų | 154.3 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -53.1 | 110.5 | 179.9 | -21.9 | 31.8 | 0 | 0 | 0 | 109.3 | N396 | P394-N396 PolarHBondContact O-N 3.01Š| ||
| 395 | I | 58 | Low | 55.4 | Low | 136 Ų | 136 | 146.7 Ų | 146.7 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | -56.7 | 128.1 | 170.2 | -110.4 | 170.6 | 0 | 0 | 0 | 105.7 | G393 R397 | G393-I395 PolarHBondContact O-N 3.22Å; I395-R397 PolarHBondContact O-N 3.23Å | ||
| 396 | N | 63 | Low | 55.5 | Low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -50.3 | 116.5 | 171.9 | -78 | -30.5 | 0 | 0 | 0 | 107.6 | P394 E398 | P394-N396 PolarHBondContact O-N 3.01Å; N396-E398 PolarHBondContact O-N 2.85Å; N396-E398 VanDerWaalsContact O-N 3.07Å | ||
| 397 | R | 60.3 | Low | 55.1 | Low | 216 Ų | 216 | 143 Ų | 143 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -60.1 | 113.8 | 176.5 | -146.5 | 179.1 | -168.9 | -158.6 | 0.9 | 106.8 | I395 | I395-R397 PolarHBondContact O-N 3.23Š| ||
| 398 | E | 59.4 | Low | 55.2 | Low | 144 Ų | 144 | 142.4 Ų | 142.4 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | trans | -56.7 | 140.3 | 173.6 | -72.1 | -170.2 | 159.6 | 0 | 0 | 108.7 | N396 D400 | N396-E398 PolarHBondContact O-N 2.85Å; N396-E398 VanDerWaalsContact O-N 3.07Å; E398-D400 PolarHBondContact O-N 3.06Å | ||
| 399 | P | 62.5 | Low | 54.9 | Low | 85 Ų | 85 | 139.8 Ų | 139.8 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | trans | -55 | 134.8 | 179.4 | -20.8 | 30.6 | 0 | 0 | 0 | 110.4 | E401 K402 | P399-E401 PolarHBondContact O-N 3.46Å; P399-K402 PolarHBondContact O-N 3.13Å | ||
| 400 | D | 58.6 | Low | 54.1 | Low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -59.5 | -8.2 | -176.9 | -61.3 | -38.9 | 0 | 0 | 0 | 113.2 | E398 K402 | E398-D400 PolarHBondContact O-N 3.06Å; D400-K402 VanDerWaalsContact C-N 3.3Å; D400-K402 PolarHBondContact O-N 3Å |
| 401 | E | 61.2 | Low | 53.8 | Low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -70.2 | -11.7 | 179.1 | -68.8 | 177.3 | 169 | 0 | 0 | 115.1 | P399 | P399-E401 PolarHBondContact O-N 3.46Š|
| 402 | K | 55.7 | Low | 54.3 | Low | 164 Ų | 164 | 136.3 Ų | 136.3 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -96.5 | 1.8 | -176.5 | -75.1 | -170.8 | 177.8 | -179.2 | 0 | 116.4 | P399 D400 | P399-K402 PolarHBondContact O-N 3.13Å; D400-K402 VanDerWaalsContact C-N 3.3Å; D400-K402 PolarHBondContact O-N 3Å |
| 403 | L | 52.2 | Low | 55.1 | Low | 137 Ų | 137 | 128.6 Ų | 128.6 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -105.9 | -1.9 | -173.3 | -70.2 | 176.7 | 0 | 0 | 0 | 116 | ||
| 404 | Y | 47.9 | Very low | 55.5 | Low | 214 Ų | 214 | 132.4 Ų | 132.4 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | trans | -137.6 | 83.9 | 176 | -65 | -79.2 | 0 | 0 | 0 | 111.6 | T406 | Y404-T406 PolarHBondContact O-N 3.02Š| ||
| 405 | G | 42.7 | Very low | 56 | Low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | trans | -67.8 | 117.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | F407 | G405-F407 PolarHBondContact O-N 2.89Š| ||
| 406 | T | 37.2 | Very low | 56.6 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | trans | -25.4 | 98.3 | 167.1 | -48.4 | 0 | 0 | 0 | 0 | 114.4 | Y404 | Y404-T406 PolarHBondContact O-N 3.02Š| ||
| 407 | F | 36.8 | Very low | 57 | Low | 202 Ų | 202 | 121.8 Ų | 121.8 | 89% | 0.886 | 60% | 0.601 | S | S | * | * | trans | -131.1 | 85.4 | 156 | -87.8 | -84.3 | 0 | 0 | 0 | 107.8 | G405 | G405-F407 PolarHBondContact O-N 2.89Š| ||
| 408 | R | 49.4 | Very low | 57.6 | Low | 176 Ų | 176 | 116.2 Ų | 116.2 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | trans | -80.9 | 121.6 | 162 | -73.2 | -156.8 | -173.4 | -152.6 | 7.5 | 107.6 | N410 | R408-N410 PolarHBondContact O-N 3.13Š| ||
| 409 | P | 49.3 | Very low | 58.3 | Low | 103 Ų | 103 | 114 Ų | 114 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | trans | -65.3 | 136.4 | 166.8 | 28.5 | -29.7 | 0 | 0 | 0 | 107.9 | L411 | P409-L411 HydrophobicContact CG-CD1 4.45Å; P409-L411 PolarHBondContact O-N 3.23Å | ||
| 410 | N | 47.4 | Very low | 58.8 | Low | 130 Ų | 130 | 112.3 Ų | 112.3 | 70% | 0.695 | 56% | 0.563 | S | S | * | * | trans | -57.7 | 84.4 | -173.9 | -64.8 | -51.4 | 0 | 0 | 0 | 113.6 | R408 K415 | R408-N410 PolarHBondContact O-N 3.13Å; N410-K415 WeakPolarHBondContact O-CD 3.36Å | ||
| 411 | L | 59.6 | Low | 59.2 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 73% | 0.728 | 55% | 0.546 | S | S | * | . | trans | -104.7 | 97.1 | 156.3 | -69.5 | 105 | 0 | 0 | 0 | 106.4 | P409 | P409-L411 HydrophobicContact CG-CD1 4.45Å; P409-L411 PolarHBondContact O-N 3.23Å | ||
| 412 | G | 66.8 | Low | 59.7 | Low | 26 Ų | 26 | 105 Ų | 105 | 27% | 0.268 | 53% | 0.532 | S | S | . | . | trans | -130.8 | 152.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K414 K415 F416 | G412-K414 PolarHBondContact O-N 3.46Å; G412-K415 PolarHBondContact O-N 3.38Å; G412-F416 PolarHBondContact O-N 2.87Å | ||
| 413 | V | 66.1 | Low | 60.3 | Low | 1 Ų | 1 | 104.4 Ų | 104.4 | 1% | 0.006 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -49.2 | -32.6 | 178.8 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | Y56 L89 K415 F416 F417 | Y56-V413 HydrophobicContact CE1-CG2 4.25Å; L89-V413 HydrophobicContact CB-CG1 4.19Å; L89-V413 HydrophobicContact CD1-CG1 4.32Å; V413-K415 PolarHBondContact O-N 3.2Å; V413-F416 WeakPolarHBondContact O-CB 3.17Å; V413-F416 PolarHBondContact O-N 3.22Å; V413-F416 VanDerWaalsContact O-N 3.12Å; V413-F417 HydrophobicContact CG1-CD2 3.58Å; V413-F417 HydrophobicContact CG1-CE2 3.54Å; V413-F417 WeakPolarHBondContact O-CD2 2.98Å; V413-F417 PolarHBondContact O-N 2.96Å |
| 414 | K | 67.6 | Low | 60.4 | Low | 120 Ų | 120 | 101.1 Ų | 101.1 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -54.2 | -44.7 | 172.1 | -173.9 | 175 | 178.1 | 177.5 | 0 | 113.8 | G412 F416 F417 E418 | G412-K414 PolarHBondContact O-N 3.46Å; K414-F416 VanDerWaalsContact C-N 3.33Å; K414-F417 PolarHBondContact O-N 3.05Å; K414-E418 VanDerWaalsContact CE-OE1 3.3Å; K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 WeakPolarHBondContact O-CB 3.17Å; K414-E418 WeakPolarHBondContact O-CG 3.29Å; K414-E418 PolarHBondContact O-N 3.05Å |
| 415 | K | 73.3 | Confident | 60.7 | Low | 117 Ų | 117 | 96 Ų | 96 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.9 | -31.3 | 177.7 | -74.4 | -157.1 | 178.5 | -177 | 0 | 112.6 | N410 G412 V413 N419 | N410-K415 WeakPolarHBondContact O-CD 3.36Å; G412-K415 PolarHBondContact O-N 3.38Å; V413-K415 PolarHBondContact O-N 3.2Å; K415-N419 VanDerWaalsContact O-CB 3.24Å; K415-N419 WeakPolarHBondContact O-CB 3.27Å; K415-N419 PolarHBondContact O-N 3.31Å |
| 416 | F | 71.8 | Confident | 60.8 | Low | 77 Ų | 77 | 103.7 Ų | 103.7 | 34% | 0.338 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -49 | 173.9 | 172.6 | -99.2 | 0 | 0 | 0 | 110.7 | G412 V413 K414 N419 I420 | G412-F416 PolarHBondContact O-N 2.87Å; V413-F416 WeakPolarHBondContact O-CB 3.17Å; V413-F416 PolarHBondContact O-N 3.22Å; V413-F416 VanDerWaalsContact O-N 3.12Å; K414-F416 VanDerWaalsContact C-N 3.33Å; F416-N419 PolarHBondContact O-N 2.98Å; F416-I420 HydrophobicContact CD1-CD1 3.82Å; F416-I420 HydrophobicContact CD2-CD1 4.46Å; F416-I420 HydrophobicContact CE1-CD1 3.28Å; F416-I420 HydrophobicContact CE2-CD1 3.99Å; F416-I420 HydrophobicContact CG-CD1 4.39Å; F416-I420 HydrophobicContact CZ-CD1 3.4Å; F416-I420 WeakPolarHBondContact O-CG1 3.35Å; F416-I420 PolarHBondContact O-N 3.18Å |
| 417 | F | 70.1 | Confident | 62 | Low | 5 Ų | 5 | 102.4 Ų | 102.4 | 2% | 0.022 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.5 | -81.3 | -74.4 | 0 | 0 | 0 | 112.2 | I86 L89 V413 K414 N419 I420 F421 | I86-F417 HydrophobicContact CD1-CB 4.01Å; I86-F417 HydrophobicContact CD1-CD2 4.08Å; I86-F417 HydrophobicContact CD1-CG 3.97Å; I86-F417 HydrophobicContact CG1-CD2 3.79Å; I86-F417 HydrophobicContact CG1-CE2 4.11Å; I86-F417 HydrophobicContact CG1-CG 4.17Å; L89-F417 HydrophobicContact CD1-CE2 4.08Å; L89-F417 HydrophobicContact CD1-CZ 4.42Å; V413-F417 HydrophobicContact CG1-CD2 3.58Å; V413-F417 HydrophobicContact CG1-CE2 3.54Å; V413-F417 WeakPolarHBondContact O-CD2 2.98Å; V413-F417 PolarHBondContact O-N 2.96Å; K414-F417 PolarHBondContact O-N 3.05Å; F417-N419 VanDerWaalsContact C-N 3.26Å; F417-N419 PolarHBondContact O-N 3.23Å; F417-I420 PolarHBondContact O-N 3.37Å; F417-I420 VanDerWaalsContact O-N 3.12Å; F417-F421 HydrophobicContact CB-CD2 4.34Å; F417-F421 HydrophobicContact CB-CE2 3.95Å; F417-F421 HydrophobicContact CD1-CE2 4.03Å; F417-F421 HydrophobicContact CD1-CZ 4.43Å; F417-F421 HydrophobicContact CG-CE2 4.45Å; F417-F421 WeakPolarHBondContact O-CD2 3.45Å; F417-F421 PolarHBondContact O-N 3.31Å |
| 418 | E | 74.5 | Confident | 63.3 | Low | 98 Ų | 98 | 97.1 Ų | 97.1 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 173.2 | -79.5 | 177.8 | 177 | 0 | 0 | 112.2 | K414 F421 S422 | K414-E418 VanDerWaalsContact CE-OE1 3.3Å; K414-E418 WeakPolarHBondContact CE-OE1 3.45Å; K414-E418 WeakPolarHBondContact O-CB 3.17Å; K414-E418 WeakPolarHBondContact O-CG 3.29Å; K414-E418 PolarHBondContact O-N 3.05Å; E418-F421 PolarHBondContact O-N 3.32Å; E418-S422 WeakPolarHBondContact O-CB 3.37Å; E418-S422 PolarHBondContact O-N 3.34Å; E418-S422 PolarHBondContact O-OG 3.46Å |
| 419 | N | 74.5 | Confident | 64.1 | Low | 98 Ų | 98 | 92.7 Ų | 92.7 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.1 | -34.5 | 177.5 | -160.6 | 14.8 | 0 | 0 | 0 | 112.3 | K415 F416 F417 K423 | K415-N419 VanDerWaalsContact O-CB 3.24Å; K415-N419 WeakPolarHBondContact O-CB 3.27Å; K415-N419 PolarHBondContact O-N 3.31Å; F416-N419 PolarHBondContact O-N 2.98Å; F417-N419 VanDerWaalsContact C-N 3.26Å; F417-N419 PolarHBondContact O-N 3.23Å; N419-K423 WeakPolarHBondContact O-CG 3.16Å; N419-K423 PolarHBondContact O-N 2.93Å |
| 420 | I | 72.6 | Confident | 65 | Low | 49 Ų | 49 | 92.1 Ų | 92.1 | 25% | 0.251 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 171.9 | -71.9 | 172.6 | 0 | 0 | 0 | 110.7 | F416 F417 S422 K423 L424 | F416-I420 HydrophobicContact CD1-CD1 3.82Å; F416-I420 HydrophobicContact CD2-CD1 4.46Å; F416-I420 HydrophobicContact CE1-CD1 3.28Å; F416-I420 HydrophobicContact CE2-CD1 3.99Å; F416-I420 HydrophobicContact CG-CD1 4.39Å; F416-I420 HydrophobicContact CZ-CD1 3.4Å; F416-I420 WeakPolarHBondContact O-CG1 3.35Å; F416-I420 PolarHBondContact O-N 3.18Å; F417-I420 PolarHBondContact O-N 3.37Å; F417-I420 VanDerWaalsContact O-N 3.12Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.27Å; I420-K423 WeakPolarHBondContact O-CB 3.32Å; I420-K423 PolarHBondContact O-N 3.21Å; I420-L424 HydrophobicContact CG2-CD1 3.76Å; I420-L424 PolarHBondContact O-N 3.1Å |
| 421 | F | 65.7 | Low | 66.1 | Low | 72 Ų | 72 | 89.8 Ų | 89.8 | 32% | 0.316 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 176.5 | -73.9 | -59.1 | 0 | 0 | 0 | 112.5 | I70 M82 F417 E418 K423 L424 S425 | I70-F421 HydrophobicContact CD1-CE1 4.49Å; M82-F421 HydrophobicContact CE-CE1 3.88Å; M82-F421 HydrophobicContact CE-CE2 4.22Å; M82-F421 HydrophobicContact CE-CZ 3.28Å; M82-F421 HydrophobicContact SD-CE1 3.84Å; M82-F421 HydrophobicContact SD-CE2 3.35Å; M82-F421 WeakPolarHBondContact SD-CE2 3.43Å; M82-F421 HydrophobicContact SD-CZ 2.98Å; M82-F421 WeakPolarHBondContact SD-CZ 3.37Å; F417-F421 HydrophobicContact CB-CD2 4.34Å; F417-F421 HydrophobicContact CB-CE2 3.95Å; F417-F421 HydrophobicContact CD1-CE2 4.03Å; F417-F421 HydrophobicContact CD1-CZ 4.43Å; F417-F421 HydrophobicContact CG-CE2 4.45Å; F417-F421 WeakPolarHBondContact O-CD2 3.45Å; F417-F421 PolarHBondContact O-N 3.31Å; E418-F421 PolarHBondContact O-N 3.32Å; F421-K423 PolarHBondContact O-N 3.19Å; F421-L424 PolarHBondContact O-N 2.91Å; F421-S425 WeakPolarHBondContact O-CB 3.45Å; F421-S425 PolarHBondContact O-N 2.92Å; F421-S425 VanDerWaalsContact O-N 3.12Å |
| 422 | S | 72.7 | Confident | 66.5 | Low | 76 Ų | 76 | 86.5 Ų | 86.5 | 53% | 0.531 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.2 | -25.5 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | E418 I420 | E418-S422 WeakPolarHBondContact O-CB 3.37Å; E418-S422 PolarHBondContact O-N 3.34Å; E418-S422 PolarHBondContact O-OG 3.46Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.27Å |
| 423 | K | 67.4 | Low | 66.5 | Low | 152 Ų | 152 | 90.8 Ų | 90.8 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -88.1 | -25.4 | 176.3 | -72.3 | -179.6 | 178.7 | -175 | 0 | 114.3 | N419 I420 F421 | N419-K423 WeakPolarHBondContact O-CG 3.16Å; N419-K423 PolarHBondContact O-N 2.93Å; I420-K423 WeakPolarHBondContact O-CB 3.32Å; I420-K423 PolarHBondContact O-N 3.21Å; F421-K423 PolarHBondContact O-N 3.19Å |
| 424 | L | 55.4 | Low | 66.5 | Low | 69 Ų | 69 | 97.7 Ų | 97.7 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -90.7 | -9.4 | 179.3 | -71.9 | 167.7 | 0 | 0 | 0 | 113.5 | I420 F421 | I420-L424 HydrophobicContact CG2-CD1 3.76Å; I420-L424 PolarHBondContact O-N 3.1Å; F421-L424 PolarHBondContact O-N 2.91Å |
| 425 | S | 54.6 | Low | 66.4 | Low | 107 Ų | 107 | 95.8 Ų | 95.8 | 75% | 0.748 | 48% | 0.483 | S | S | * | . | trans | -98.2 | 3.9 | 178.2 | 139.7 | 0 | 0 | 0 | 0 | 114.2 | F421 | F421-S425 WeakPolarHBondContact O-CB 3.45Å; F421-S425 PolarHBondContact O-N 2.92Å; F421-S425 VanDerWaalsContact O-N 3.12Å | ||
| 426 | Q | 44.5 | Very low | 65.8 | Low | 230 Ų | 230 | 93.9 Ų | 93.9 | 100% | 1.075 | 48% | 0.48 | S | S | * | . | trans | -99.8 | 0 | 162.6 | -75.9 | -176.3 | 8.1 | 0 | 0 | 109.1 |
Retrieved 426 of 426 residues in 634.6 ms
(Link to these results)