| 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 | 25.2 | Very low | 31.6 | Very low | 241 Ų | 241 | 165.6 Ų | 165.6 | 100% | 1.187 | 85% | 0.851 | S | S | * | * | 0 | 145.6 | 0 | -88.4 | -170.3 | 173.6 | 0 | 0 | 108.5 | |||||
| 2 | P | 47.3 | Very low | 31.2 | Very low | 102 Ų | 102 | 158.4 Ų | 158.4 | 66% | 0.662 | 85% | 0.848 | S | S | * | * | -138.4 | -168.7 | -64.9 | 34.3 | -13.3 | 0 | 0 | 0 | 111.6 | |||||
| 3 | R | 29.4 | Very low | 31.1 | Very low | 225 Ų | 225 | 161.5 Ų | 161.5 | 85% | 0.849 | 85% | 0.854 | S | S | * | * | trans | 78.5 | 154.5 | 147.5 | -75.6 | 174.5 | 170.6 | 174.2 | -5.1 | 118.3 | ||||
| 4 | N | 31.5 | Very low | 30.9 | Very low | 149 Ų | 149 | 164.3 Ų | 164.3 | 80% | 0.797 | 86% | 0.859 | S | S | * | * | cis | -174 | 137.8 | -29.8 | -142.5 | 3.3 | 0 | 0 | 0 | 102.8 | K6 | N4-K6 PolarHBondContact O-N 2.6Š| ||
| 5 | K | 37.8 | Very low | 30.7 | Very low | 203 Ų | 203 | 157.8 Ų | 157.8 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | trans | -71.2 | 125 | 167.1 | -85.2 | 175.8 | 171.6 | 173.3 | 0 | 109.6 | ||||
| 6 | K | 32.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | trans | -179.9 | 139.1 | 133.3 | -106.7 | 174 | -179.6 | 173.4 | 0 | 114.3 | N4 | N4-K6 PolarHBondContact O-N 2.6Š| ||
| 7 | K | 29.4 | Very low | 30.3 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 77% | 0.77 | 85% | 0.851 | S | S | * | * | trans | 82.6 | 132.4 | 141.9 | -86.4 | -173.4 | 173 | -177.4 | 0 | 122.6 | ||||
| 8 | N | 27.5 | Very low | 30 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 84% | 0.844 | S | S | * | * | trans | 81.5 | 134.1 | 141.9 | -78.8 | 11.9 | 0 | 0 | 0 | 120.7 | ||||
| 9 | G | 27.5 | Very low | 30 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | 167.7 | 76.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G11 | G9-G11 PolarHBondContact O-N 3.35Š| ||
| 10 | K | 31.9 | Very low | 29.8 | Very low | 227 Ų | 227 | 154.7 Ų | 154.7 | 99% | 0.987 | 84% | 0.844 | S | S | * | * | trans | -59.7 | 118 | 158.7 | -88.9 | 179.6 | 170.6 | -179.1 | 0 | 107.7 | ||||
| 11 | G | 27.8 | Very low | 29.8 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -120.3 | 100.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | G9 | G9-G11 PolarHBondContact O-N 3.35Š| ||
| 12 | G | 27.2 | Very low | 29.9 | Very low | 79 Ų | 79 | 148.5 Ų | 148.5 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -73.5 | 123.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 13 | Q | 29 | Very low | 29.2 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -91.6 | 116.6 | 170.1 | -116.9 | 173.8 | 37.2 | 0 | 0 | 108.5 | G15 | Q13-G15 PolarHBondContact O-N 3.42Š| ||
| 14 | H | 29.1 | Very low | 29.4 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 93% | 0.931 | 83% | 0.833 | S | S | * | * | trans | -64.5 | 109.2 | 162.9 | -81.6 | -77.1 | 0 | 0 | 0 | 109 | ||||
| 15 | G | 27.2 | Very low | 29.4 | Very low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -103 | 127 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q13 | Q13-G15 PolarHBondContact O-N 3.42Š| ||
| 16 | A | 27.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -57.2 | 131.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 17 | V | 27.4 | Very low | 29.4 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -85.9 | 112.9 | 171.3 | 177.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 18 | Q | 26.1 | Very low | 29.5 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -75.6 | 140.5 | 159.6 | -79.7 | -173 | -31.3 | 0 | 0 | 109.1 | F20 | Q18-F20 PolarHBondContact O-N 3.48Š| ||
| 19 | P | 29.2 | Very low | 30.1 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -79.6 | 112.8 | 177.2 | 30.6 | -28.8 | 0 | 0 | 0 | 109.6 | ||||
| 20 | F | 26 | Very low | 30.4 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -80.7 | 131.9 | 164 | -101 | -93.6 | 0 | 0 | 0 | 109.4 | Q18 | Q18-F20 PolarHBondContact O-N 3.48Š| ||
| 21 | S | 29 | Very low | 30.7 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -76.3 | 111 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 22 | D | 28.3 | Very low | 30.7 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 97.3 | 166.9 | -92 | -15.6 | 0 | 0 | 0 | 109.5 | ||||
| 23 | E | 32.6 | Very low | 30.9 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -94.2 | 96.3 | 149 | -77.2 | -159.3 | 146.4 | 0 | 0 | 107.1 | ||||
| 24 | D | 32.4 | Very low | 31.1 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -140 | 85.4 | 166.8 | -152 | 1.8 | 0 | 0 | 0 | 109.2 | ||||
| 25 | A | 33.4 | Very low | 31.5 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -88.5 | 124.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | S | 36.7 | Very low | 32 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 79.2 | 85.3 | 149 | 69.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 27 | I | 32.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 39% | 0.385 | 75% | 0.748 | S | S | . | * | trans | -142.7 | 90.6 | 136.6 | -54.3 | -177.4 | 0 | 0 | 0 | 109.3 | K312 | I27-K312 HydrophobicContact CD1-CB 4.17Š| ||
| 28 | E | 31.8 | Very low | 32.6 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -122.1 | 70.8 | 163.4 | -73.2 | -165.7 | 170.2 | 0 | 0 | 110.4 | L30 | E28-L30 PolarHBondContact O-N 3.37Š| ||
| 29 | T | 39.8 | Very low | 33 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 45% | 0.454 | 75% | 0.75 | S | S | . | * | trans | -79.7 | 103.7 | 151.2 | 49.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 30 | L | 35 | Very low | 33.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 169.5 | 137.5 | 142.9 | -89.1 | 164.9 | 0 | 0 | 0 | 108.4 | E28 H32 | E28-L30 PolarHBondContact O-N 3.37Å; L30-H32 PolarHBondContact O-CD2 3.13Å; L30-H32 VanDerWaalsContact O-CD2 3.29Å; L30-H32 PolarHBondContact O-N 3.09Å |
| 31 | S | 37.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -46 | 101.1 | -177.6 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 32 | H | 27.7 | Very low | 33.6 | Very low | 148 Ų | 148 | 127 Ų | 127 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -106.9 | 113.3 | 159.2 | -75.4 | -77.1 | 0 | 0 | 0 | 106.9 | L30 S34 | L30-H32 PolarHBondContact O-CD2 3.13Å; L30-H32 VanDerWaalsContact O-CD2 3.29Å; L30-H32 PolarHBondContact O-N 3.09Å; H32-S34 PolarHBondContact O-N 3.2Å | ||
| 33 | C | 31.5 | Very low | 34.3 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 68% | 0.676 | 74% | 0.744 | S | S | * | * | trans | -52 | 111.6 | 160.8 | -66.6 | 0 | 0 | 0 | 0 | 106.6 | S35 | C33-S35 PolarHBondContact O-N 3.15Š| ||
| 34 | S | 32.3 | Very low | 34.3 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -55.8 | 100.5 | 175 | -46.3 | 0 | 0 | 0 | 0 | 108.7 | H32 | H32-S34 PolarHBondContact O-N 3.2Š| ||
| 35 | S | 38.2 | Very low | 34.8 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -117.2 | 67.8 | 174.1 | 65.2 | 0 | 0 | 0 | 0 | 108.6 | C33 | C33-S35 PolarHBondContact O-N 3.15Š| ||
| 36 | L | 38.6 | Very low | 35 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -147.3 | 103 | 165.8 | -77.6 | 176 | 0 | 0 | 0 | 109.8 | ||||
| 37 | S | 32.8 | Very low | 35.2 | Very low | 107 Ų | 107 | 122 Ų | 122 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -172.5 | 59.8 | 140.2 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | V39 | S37-V39 VanDerWaalsContact C-N 3.28Å; S37-V39 PolarHBondContact O-N 3.24Å | ||
| 38 | D | 33.1 | Very low | 35.9 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -88.8 | 82 | 154.5 | -87.7 | -19.9 | 0 | 0 | 0 | 106.1 | T40 | D38-T40 PolarHBondContact O-N 3.36Š| ||
| 39 | V | 34.4 | Very low | 36.8 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -73.5 | 107.5 | 159.1 | -157.6 | 0 | 0 | 0 | 0 | 104.3 | S37 S41 | S37-V39 VanDerWaalsContact C-N 3.28Å; S37-V39 PolarHBondContact O-N 3.24Å; V39-S41 PolarHBondContact O-N 2.67Å | ||
| 40 | T | 31.1 | Very low | 38.2 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -50.5 | 112.1 | 167.3 | 37.3 | 0 | 0 | 0 | 0 | 107.9 | D38 V42 | D38-T40 PolarHBondContact O-N 3.36Å; T40-V42 VanDerWaalsContact C-N 3.28Å; T40-V42 PolarHBondContact O-N 3.06Å | ||
| 41 | S | 33.1 | Very low | 40 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -65.1 | 91.7 | 170.9 | 55.1 | 0 | 0 | 0 | 0 | 108.1 | V39 A43 | V39-S41 PolarHBondContact O-N 2.67Å; S41-A43 PolarHBondContact O-N 2.88Å | ||
| 42 | V | 33.2 | Very low | 41.8 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 121.4 | 159 | -126 | 0 | 0 | 0 | 0 | 105.4 | T40 D44 | T40-V42 VanDerWaalsContact C-N 3.28Å; T40-V42 PolarHBondContact O-N 3.06Å; V42-D44 PolarHBondContact O-N 3.21Å; V42-D44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | A | 42.8 | Very low | 44.6 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -61.2 | 113.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | S41 | S41-A43 PolarHBondContact O-N 2.88Š| ||
| 44 | D | 33.2 | Very low | 47.2 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | -100.4 | 94.7 | 172 | -163.3 | 26.7 | 0 | 0 | 0 | 107.4 | V42 | V42-D44 PolarHBondContact O-N 3.21Å; V42-D44 VanDerWaalsContact O-N 3.14Å | ||
| 45 | E | 42.9 | Very low | 49.7 | Very low | 199 Ų | 199 | 117.8 Ų | 117.8 | 93% | 0.93 | 72% | 0.717 | S | S | * | * | trans | -82.3 | 96.8 | 158.6 | -77.1 | -176.8 | 160.1 | 0 | 0 | 106.6 | ||||
| 46 | G | 37.4 | Very low | 52.2 | Low | 57 Ų | 57 | 119.1 Ų | 119.1 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 175.2 | 76.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 47 | G | 40.1 | Very low | 54.8 | Low | 76 Ų | 76 | 116 Ų | 116 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | trans | 82 | 91.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A49 | G47-A49 VanDerWaalsContact C-N 3.33Å; G47-A49 PolarHBondContact O-N 3.43Å | ||
| 48 | E | 46.5 | Very low | 57.7 | Low | 197 Ų | 197 | 112.9 Ų | 112.9 | 92% | 0.921 | 67% | 0.669 | S | S | * | * | trans | -62.3 | 90.3 | 164.8 | -67 | 175.4 | 171.8 | 0 | 0 | 110 | S50 | E48-S50 PolarHBondContact O-N 3.19Š| ||
| 49 | A | 52 | Low | 60.6 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | trans | -63.1 | 111.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | G47 E51 | G47-A49 VanDerWaalsContact C-N 3.33Å; G47-A49 PolarHBondContact O-N 3.43Å; A49-E51 PolarHBondContact O-N 2.87Å | ||
| 50 | S | 67.9 | Low | 63.5 | Low | 55 Ų | 55 | 110.8 Ų | 110.8 | 39% | 0.385 | 64% | 0.639 | S | S | . | * | trans | -52.9 | 140.4 | -177.3 | 70.7 | 0 | 0 | 0 | 0 | 110.2 | E48 D52 T53 A54 | E48-S50 PolarHBondContact O-N 3.19Å; S50-D52 PolarHBondContact O-N 3.44Å; S50-T53 WeakPolarHBondContact O-CB 3.3Å; S50-T53 PolarHBondContact O-N 3.09Å; S50-T53 PolarHBondContact OG-N 2.95Å; S50-T53 PolarHBondContact OG-OG1 3Å; S50-A54 PolarHBondContact O-N 3.19Å | ||
| 51 | E | 73.1 | Confident | 66.7 | Low | 174 Ų | 174 | 110.9 Ų | 110.9 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -51.9 | -31 | 178.8 | -68 | -176.4 | 159.1 | 0 | 0 | 111.6 | A49 A54 Q55 | A49-E51 PolarHBondContact O-N 2.87Å; E51-A54 PolarHBondContact O-N 2.96Å; E51-Q55 PolarHBondContact O-N 3.29Å |
| 52 | D | 76.5 | Confident | 69.7 | Low | 113 Ų | 113 | 105.4 Ų | 105.4 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61 | -45 | 174.2 | -64.2 | -24.4 | 0 | 0 | 0 | 112.8 | S50 A54 Q55 E56 | S50-D52 PolarHBondContact O-N 3.44Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact O-N 3.32Å; D52-Q55 PolarHBondContact O-N 3.07Å; D52-E56 WeakPolarHBondContact O-CG 3.19Å; D52-E56 PolarHBondContact O-N 3.23Å |
| 53 | T | 84.9 | Confident | 72.8 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 38% | 0.38 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -40.6 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 111.4 | S50 Q55 E56 D57 | S50-T53 WeakPolarHBondContact O-CB 3.3Å; S50-T53 PolarHBondContact O-N 3.09Å; S50-T53 PolarHBondContact OG-N 2.95Å; S50-T53 PolarHBondContact OG-OG1 3Å; T53-Q55 VanDerWaalsContact C-N 3.31Å; T53-Q55 PolarHBondContact O-N 3.45Å; T53-E56 PolarHBondContact O-N 3.42Å; T53-D57 WeakPolarHBondContact O-CB 3.38Å; T53-D57 PolarHBondContact O-N 3.34Å |
| 54 | A | 86.8 | Confident | 75.4 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.3 | -33.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S50 E51 D52 F58 | S50-A54 PolarHBondContact O-N 3.19Å; E51-A54 PolarHBondContact O-N 2.96Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact O-N 3.32Å; A54-F58 WeakPolarHBondContact O-CB 3.42Å; A54-F58 PolarHBondContact O-N 3.01Å; A54-F58 VanDerWaalsContact O-N 3.14Å |
| 55 | Q | 85.9 | Confident | 78.5 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 174.1 | 178.9 | 165.8 | -25.2 | 0 | 0 | 111.8 | E51 D52 T53 F58 Q59 | E51-Q55 PolarHBondContact O-N 3.29Å; D52-Q55 PolarHBondContact O-N 3.07Å; T53-Q55 VanDerWaalsContact C-N 3.31Å; T53-Q55 PolarHBondContact O-N 3.45Å; Q55-F58 PolarHBondContact O-N 3.16Å; Q55-Q59 WeakPolarHBondContact O-CG 3.44Å; Q55-Q59 PolarHBondContact O-N 2.8Å |
| 56 | E | 90.3 | Very high | 81.1 | Confident | 134 Ų | 134 | 86.5 Ų | 86.5 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 175.7 | -73.4 | -178.4 | 172.5 | 0 | 0 | 112.2 | D52 T53 F58 Q59 Y60 | D52-E56 WeakPolarHBondContact O-CG 3.19Å; D52-E56 PolarHBondContact O-N 3.23Å; T53-E56 PolarHBondContact O-N 3.42Å; E56-F58 VanDerWaalsContact C-N 3.25Å; E56-F58 PolarHBondContact O-N 3.4Å; E56-Q59 PolarHBondContact O-N 3.33Å; E56-Q59 VanDerWaalsContact O-N 3.16Å; E56-Y60 WeakPolarHBondContact O-CB 3.28Å; E56-Y60 PolarHBondContact O-N 3.32Å |
| 57 | D | 93.1 | Very high | 84 | Confident | 108 Ų | 108 | 89.3 Ų | 89.3 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.8 | -40 | 176.5 | -80 | -18.1 | 0 | 0 | 0 | 111.6 | T53 Y60 K61 | T53-D57 WeakPolarHBondContact O-CB 3.38Å; T53-D57 PolarHBondContact O-N 3.34Å; D57-Y60 PolarHBondContact O-N 2.93Å; D57-K61 WeakPolarHBondContact O-CB 3.29Å; D57-K61 PolarHBondContact O-N 2.86Å |
| 58 | F | 93.6 | Very high | 86.7 | Confident | 42 Ų | 42 | 87.6 Ų | 87.6 | 18% | 0.184 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 176 | -179.8 | -104.5 | 0 | 0 | 0 | 111.8 | A54 Q55 E56 Y60 K61 L62 A87 R91 L93 | A54-F58 WeakPolarHBondContact O-CB 3.42Å; A54-F58 PolarHBondContact O-N 3.01Å; A54-F58 VanDerWaalsContact O-N 3.14Å; Q55-F58 PolarHBondContact O-N 3.16Å; E56-F58 VanDerWaalsContact C-N 3.25Å; E56-F58 PolarHBondContact O-N 3.4Å; F58-Y60 VanDerWaalsContact C-N 3.31Å; F58-Y60 PolarHBondContact O-N 2.89Å; F58-K61 WeakPolarHBondContact O-CB 3.47Å; F58-K61 PolarHBondContact O-N 3.18Å; F58-L62 HydrophobicContact CD1-CD1 4.1Å; F58-L62 HydrophobicContact CD1-CG 4.41Å; F58-L62 HydrophobicContact CE1-CD1 3.58Å; F58-L62 HydrophobicContact CE1-CD2 4.38Å; F58-L62 HydrophobicContact CE1-CG 4.04Å; F58-L62 HydrophobicContact CE2-CD2 4.48Å; F58-L62 HydrophobicContact CZ-CD1 4.08Å; F58-L62 HydrophobicContact CZ-CD2 4.05Å; F58-L62 HydrophobicContact CZ-CG 4.19Å; F58-L62 WeakPolarHBondContact O-CG 3.49Å; F58-L62 PolarHBondContact O-N 3.32Å; F58-A87 HydrophobicContact CZ-CB 3.85Å; F58-R91 VanDerWaalsContact CG-NH1 3.29Å; F58-L93 HydrophobicContact CE1-CD1 4.29Å; F58-L93 HydrophobicContact CE1-CD2 3.8Å |
| 59 | Q | 94.2 | Very high | 89.1 | Confident | 64 Ų | 64 | 78.3 Ų | 78.3 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 175.9 | -71.6 | -170.6 | 13.9 | 0 | 0 | 112.2 | Q55 E56 K61 L62 K63 F96 | Q55-Q59 WeakPolarHBondContact O-CG 3.44Å; Q55-Q59 PolarHBondContact O-N 2.8Å; E56-Q59 PolarHBondContact O-N 3.33Å; E56-Q59 VanDerWaalsContact O-N 3.16Å; Q59-K61 VanDerWaalsContact C-N 3.31Å; Q59-K61 PolarHBondContact O-N 3.02Å; Q59-L62 PolarHBondContact O-N 3.39Å; Q59-K63 WeakPolarHBondContact O-CG 3.36Å; Q59-K63 PolarHBondContact O-N 2.57Å; Q59-F96 HydrophobicContact CB-CD2 4.31Å; Q59-F96 HydrophobicContact CB-CE2 4.3Å; Q59-F96 HydrophobicContact CG-CD2 4.07Å |
| 60 | Y | 95.9 | Very high | 91.2 | Very high | 180 Ų | 180 | 78 Ų | 78 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 174.1 | -178.2 | -99.2 | 0 | 0 | 0 | 111.1 | E56 D57 F58 L62 K63 G64 | E56-Y60 WeakPolarHBondContact O-CB 3.28Å; E56-Y60 PolarHBondContact O-N 3.32Å; D57-Y60 PolarHBondContact O-N 2.93Å; F58-Y60 VanDerWaalsContact C-N 3.31Å; F58-Y60 PolarHBondContact O-N 2.89Å; Y60-L62 PolarHBondContact O-N 3.38Å; Y60-K63 PolarHBondContact O-N 3.12Å; Y60-G64 PolarHBondContact O-N 3.33Å |
| 61 | K | 97.2 | Very high | 92.6 | Very high | 123 Ų | 123 | 78.5 Ų | 78.5 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 174.2 | -173.4 | 176.7 | 179.8 | 177.9 | 0 | 112.6 | D57 F58 Q59 G64 F65 | D57-K61 WeakPolarHBondContact O-CB 3.29Å; D57-K61 PolarHBondContact O-N 2.86Å; F58-K61 WeakPolarHBondContact O-CB 3.47Å; F58-K61 PolarHBondContact O-N 3.18Å; Q59-K61 VanDerWaalsContact C-N 3.31Å; Q59-K61 PolarHBondContact O-N 3.02Å; K61-G64 PolarHBondContact O-N 3.33Å; K61-F65 HydrophobicContact CD-CE2 4.38Å; K61-F65 HydrophobicContact CD-CZ 4.36Å; K61-F65 HydrophobicContact CG-CE2 3.94Å; K61-F65 HydrophobicContact CG-CZ 4.04Å; K61-F65 PolarHBondContact O-N 3.03Å |
| 62 | L | 97.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 175.9 | -65.9 | -177.9 | 0 | 0 | 0 | 112.4 | F58 Q59 Y60 G64 F65 I66 L84 A87 L93 F96 | F58-L62 HydrophobicContact CD1-CD1 4.1Å; F58-L62 HydrophobicContact CD1-CG 4.41Å; F58-L62 HydrophobicContact CE1-CD1 3.58Å; F58-L62 HydrophobicContact CE1-CD2 4.38Å; F58-L62 HydrophobicContact CE1-CG 4.04Å; F58-L62 HydrophobicContact CE2-CD2 4.48Å; F58-L62 HydrophobicContact CZ-CD1 4.08Å; F58-L62 HydrophobicContact CZ-CD2 4.05Å; F58-L62 HydrophobicContact CZ-CG 4.19Å; F58-L62 WeakPolarHBondContact O-CG 3.49Å; F58-L62 PolarHBondContact O-N 3.32Å; Q59-L62 PolarHBondContact O-N 3.39Å; Y60-L62 PolarHBondContact O-N 3.38Å; L62-G64 VanDerWaalsContact C-N 3.3Å; L62-G64 PolarHBondContact O-N 2.99Å; L62-F65 HydrophobicContact CD2-CD2 4.23Å; L62-F65 WeakPolarHBondContact O-CB 3.39Å; L62-F65 PolarHBondContact O-N 3.4Å; L62-F65 VanDerWaalsContact O-N 3.14Å; L62-I66 WeakPolarHBondContact O-CG1 3.31Å; L62-I66 PolarHBondContact O-N 2.66Å; L62-L84 HydrophobicContact CD2-CD2 4.32Å; L62-A87 HydrophobicContact CD2-CB 3.43Å; L62-A87 VanDerWaalsContact CD2-CB 3.43Å; L62-L93 HydrophobicContact CD1-CD1 3.92Å; L62-F96 HydrophobicContact CB-CE1 3.69Å; L62-F96 HydrophobicContact CB-CE2 4.05Å; L62-F96 HydrophobicContact CB-CZ 3.37Å; L62-F96 HydrophobicContact CD1-CD1 3.85Å; L62-F96 HydrophobicContact CD1-CE1 3.75Å; L62-F96 HydrophobicContact CD1-CE2 4.42Å; L62-F96 HydrophobicContact CD1-CG 4.26Å; L62-F96 HydrophobicContact CD1-CZ 4.06Å; L62-F96 HydrophobicContact CG-CE1 4.37Å; L62-F96 HydrophobicContact CG-CZ 4.38Å |
| 63 | K | 97.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 77.2 Ų | 77.2 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 173.6 | -68.4 | 171.4 | -173.9 | 173.8 | 0 | 110.7 | Q59 Y60 F65 I66 D67 F96 | Q59-K63 WeakPolarHBondContact O-CG 3.36Å; Q59-K63 PolarHBondContact O-N 2.57Å; Y60-K63 PolarHBondContact O-N 3.12Å; K63-F65 VanDerWaalsContact C-N 3.29Å; K63-F65 PolarHBondContact O-N 3.29Å; K63-I66 WeakPolarHBondContact O-CB 3.4Å; K63-I66 PolarHBondContact O-N 3.35Å; K63-I66 VanDerWaalsContact O-N 3.07Å; K63-D67 PolarHBondContact O-N 3.31Å; K63-F96 HydrophobicContact CG-CE2 3.98Å; K63-F96 HydrophobicContact CG-CZ 4.16Å |
| 64 | G | 97.8 | Very high | 95 | Very high | 31 Ų | 31 | 76.6 Ų | 76.6 | 32% | 0.32 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -35.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y60 K61 L62 S68 | Y60-G64 PolarHBondContact O-N 3.33Å; K61-G64 PolarHBondContact O-N 3.33Å; L62-G64 VanDerWaalsContact C-N 3.3Å; L62-G64 PolarHBondContact O-N 2.99Å; G64-S68 VanDerWaalsContact O-CB 3.31Å; G64-S68 WeakPolarHBondContact O-CB 3.37Å; G64-S68 PolarHBondContact O-N 2.74Å; G64-S68 PolarHBondContact O-OG 3.07Å |
| 65 | F | 98.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 82 Ų | 82 | 22% | 0.219 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67 | -45.3 | 171.3 | -66 | -38.3 | 0 | 0 | 0 | 112.1 | K61 L62 K63 D67 S68 T69 A80 L84 | K61-F65 HydrophobicContact CD-CE2 4.38Å; K61-F65 HydrophobicContact CD-CZ 4.36Å; K61-F65 HydrophobicContact CG-CE2 3.94Å; K61-F65 HydrophobicContact CG-CZ 4.04Å; K61-F65 PolarHBondContact O-N 3.03Å; L62-F65 HydrophobicContact CD2-CD2 4.23Å; L62-F65 WeakPolarHBondContact O-CB 3.39Å; L62-F65 PolarHBondContact O-N 3.4Å; L62-F65 VanDerWaalsContact O-N 3.14Å; K63-F65 VanDerWaalsContact C-N 3.29Å; K63-F65 PolarHBondContact O-N 3.29Å; F65-D67 VanDerWaalsContact C-N 3.31Å; F65-D67 PolarHBondContact O-N 2.86Å; F65-S68 WeakPolarHBondContact O-CB 3.39Å; F65-S68 PolarHBondContact O-N 3.23Å; F65-S68 VanDerWaalsContact O-N 3.07Å; F65-T69 WeakPolarHBondContact O-CG2 3.28Å; F65-T69 PolarHBondContact O-N 3.23Å; F65-T69 VanDerWaalsContact O-N 3.12Å; F65-A80 HydrophobicContact CB-CB 4.42Å; F65-A80 WeakPolarHBondContact O-CB 3.38Å; F65-L84 HydrophobicContact CB-CD1 4.42Å; F65-L84 HydrophobicContact CB-CD2 3.92Å; F65-L84 HydrophobicContact CB-CG 3.82Å |
| 66 | I | 97.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 79.5 Ų | 79.5 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.8 | -47.8 | 176.1 | -65.1 | 171.2 | 0 | 0 | 0 | 110.1 | L62 K63 S68 T69 L84 F96 R100 T103 I104 | L62-I66 WeakPolarHBondContact O-CG1 3.31Å; L62-I66 PolarHBondContact O-N 2.66Å; K63-I66 WeakPolarHBondContact O-CB 3.4Å; K63-I66 PolarHBondContact O-N 3.35Å; K63-I66 VanDerWaalsContact O-N 3.07Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.37Å; I66-T69 WeakPolarHBondContact O-CB 3.4Å; I66-T69 PolarHBondContact O-N 2.93Å; I66-T69 VanDerWaalsContact O-N 3.12Å; I66-T69 PolarHBondContact O-OG1 2.65Å; I66-L84 HydrophobicContact CG1-CD1 4.25Å; I66-L84 HydrophobicContact CG1-CD2 4.05Å; I66-F96 HydrophobicContact CD1-CE1 3.94Å; I66-F96 HydrophobicContact CD1-CZ 3.91Å; I66-R100 HydrophobicContact CD1-CB 4.43Å; I66-T103 HydrophobicContact CG2-CG2 3.82Å; I66-I104 HydrophobicContact CD1-CD1 4.12Å; I66-I104 HydrophobicContact CD1-CG1 3.95Å; I66-I104 HydrophobicContact CG1-CG1 4.24Å |
| 67 | D | 97.4 | Very high | 96.3 | Very high | 115 Ų | 115 | 75.1 Ų | 75.1 | 62% | 0.615 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.8 | -37.3 | 177.8 | -64.9 | -24.7 | 0 | 0 | 0 | 112.1 | K63 F65 T69 V70 | K63-D67 PolarHBondContact O-N 3.31Å; F65-D67 VanDerWaalsContact C-N 3.31Å; F65-D67 PolarHBondContact O-N 2.86Å; D67-T69 PolarHBondContact O-N 2.9Å; D67-V70 VanDerWaalsContact O-CG2 3.24Å; D67-V70 WeakPolarHBondContact O-CG2 3.48Å; D67-V70 PolarHBondContact O-N 2.84Å |
| 68 | S | 97.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 72.5 Ų | 72.5 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71 | -15.1 | 179.2 | -62.7 | 0 | 0 | 0 | 0 | 113.6 | G64 F65 I66 V70 D71 | G64-S68 VanDerWaalsContact O-CB 3.31Å; G64-S68 WeakPolarHBondContact O-CB 3.37Å; G64-S68 PolarHBondContact O-N 2.74Å; G64-S68 PolarHBondContact O-OG 3.07Å; F65-S68 WeakPolarHBondContact O-CB 3.39Å; F65-S68 PolarHBondContact O-N 3.23Å; F65-S68 VanDerWaalsContact O-N 3.07Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.37Å; S68-V70 PolarHBondContact O-N 2.83Å; S68-D71 WeakPolarHBondContact O-CB 3.24Å; S68-D71 PolarHBondContact O-N 3.43Å |
| 69 | T | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.6 | 175.2 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | F65 I66 D67 R77 A80 L81 L84 S107 | F65-T69 WeakPolarHBondContact O-CG2 3.28Å; F65-T69 PolarHBondContact O-N 3.23Å; F65-T69 VanDerWaalsContact O-N 3.12Å; I66-T69 WeakPolarHBondContact O-CB 3.4Å; I66-T69 PolarHBondContact O-N 2.93Å; I66-T69 VanDerWaalsContact O-N 3.12Å; I66-T69 PolarHBondContact O-OG1 2.65Å; D67-T69 PolarHBondContact O-N 2.9Å; T69-R77 WeakPolarHBondContact O-CD 3.33Å; T69-R77 WeakPolarHBondContact O-CG 3.05Å; T69-A80 HydrophobicContact CG2-CB 4.16Å; T69-L81 HydrophobicContact CG2-CD2 4.25Å; T69-L84 HydrophobicContact CG2-CD1 4.02Å; T69-S107 VanDerWaalsContact OG1-CB 3.24Å; T69-S107 WeakPolarHBondContact OG1-CB 3.11Å; T69-S107 PolarHBondContact OG1-OG 3.24Å |
| 70 | V | 94.7 | Very high | 96.8 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 7.5 | 178 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | D67 S68 R110 | D67-V70 VanDerWaalsContact O-CG2 3.24Å; D67-V70 WeakPolarHBondContact O-CG2 3.48Å; D67-V70 PolarHBondContact O-N 2.84Å; S68-V70 PolarHBondContact O-N 2.83Å; V70-R110 VanDerWaalsContact CB-NH1 3.3Å |
| 71 | D | 96.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | trans | -62.2 | 151.3 | -178.5 | -170.5 | -100.8 | 0 | 0 | 0 | 112.5 | S68 S73 T76 R77 | S68-D71 WeakPolarHBondContact O-CB 3.24Å; S68-D71 PolarHBondContact O-N 3.43Å; D71-S73 VanDerWaalsContact C-N 3.25Å; D71-S73 PolarHBondContact O-N 2.84Å; D71-S73 WeakPolarHBondContact OD1-CA 3.39Å; D71-S73 WeakPolarHBondContact OD1-CB 3.09Å; D71-S73 PolarHBondContact OD1-N 3.15Å; D71-T76 HydrophobicContact CB-CG2 3.82Å; D71-T76 WeakPolarHBondContact OD1-CB 3.24Å; D71-R77 HydrophobicContact CB-CG 4.28Å; D71-R77 VanDerWaalsContact O-CD 3.26Å; D71-R77 WeakPolarHBondContact O-CD 3.32Å; D71-R77 WeakPolarHBondContact O-CG 3.37Å; D71-R77 PolarHBondContact O-NH1 2.99Å | ||
| 72 | K | 94.5 | Very high | 97 | Very high | 207 Ų | 207 | 57.6 Ų | 57.6 | 90% | 0.9 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -64.2 | -32.5 | 179 | -66.2 | -179.3 | -178.5 | 176 | 0 | 111.9 | R77 | K72-R77 PolarHBondContact O-NH1 3.05Å; K72-R77 VanDerWaalsContact O-NH1 3.15Å |
| 73 | S | 96.3 | Very high | 97 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | trans | -80.6 | 122 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | D71 K75 T76 R77 | D71-S73 VanDerWaalsContact C-N 3.25Å; D71-S73 PolarHBondContact O-N 2.84Å; D71-S73 WeakPolarHBondContact OD1-CA 3.39Å; D71-S73 WeakPolarHBondContact OD1-CB 3.09Å; D71-S73 PolarHBondContact OD1-N 3.15Å; S73-K75 PolarHBondContact O-N 3.35Å; S73-K75 PolarHBondContact OG-N 2.8Å; S73-T76 VanDerWaalsContact CB-OG1 3.3Å; S73-T76 WeakPolarHBondContact CB-OG1 3.36Å; S73-T76 PolarHBondContact O-N 2.83Å; S73-T76 VanDerWaalsContact O-N 3.16Å; S73-T76 PolarHBondContact OG-N 3.22Å; S73-T76 PolarHBondContact OG-OG1 2.82Å; S73-R77 WeakPolarHBondContact O-CG 3.5Å; S73-R77 PolarHBondContact O-N 3.45Å | ||
| 74 | A | 94.8 | Very high | 97.1 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R77 Q78 | A74-R77 PolarHBondContact O-N 3.5Å; A74-Q78 WeakPolarHBondContact O-CB 3.26Å; A74-Q78 PolarHBondContact O-N 2.7Å |
| 75 | K | 95.6 | Very high | 97.1 | Very high | 171 Ų | 171 | 55 Ų | 55 | 74% | 0.743 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.1 | -37.8 | 177.8 | -171 | 176.7 | -177.7 | -180 | 0 | 111.8 | S73 G79 | S73-K75 PolarHBondContact O-N 3.35Å; S73-K75 PolarHBondContact OG-N 2.8Å; K75-G79 PolarHBondContact O-N 2.98Å |
| 76 | T | 97.1 | Very high | 97 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | D71 S73 Q78 G79 A80 | D71-T76 HydrophobicContact CB-CG2 3.82Å; D71-T76 WeakPolarHBondContact OD1-CB 3.24Å; S73-T76 VanDerWaalsContact CB-OG1 3.3Å; S73-T76 WeakPolarHBondContact CB-OG1 3.36Å; S73-T76 PolarHBondContact O-N 2.83Å; S73-T76 VanDerWaalsContact O-N 3.16Å; S73-T76 PolarHBondContact OG-N 3.22Å; S73-T76 PolarHBondContact OG-OG1 2.82Å; T76-Q78 PolarHBondContact O-N 2.76Å; T76-G79 PolarHBondContact O-N 3.37Å; T76-A80 WeakPolarHBondContact O-CB 3.37Å; T76-A80 PolarHBondContact O-N 3.07Å |
| 77 | R | 97.4 | Very high | 97 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 174.6 | -64.1 | -165.4 | -56.3 | -83.7 | -1.2 | 112 | T69 D71 K72 S73 A74 A80 L81 E119 | T69-R77 WeakPolarHBondContact O-CD 3.33Å; T69-R77 WeakPolarHBondContact O-CG 3.05Å; D71-R77 HydrophobicContact CB-CG 4.28Å; D71-R77 VanDerWaalsContact O-CD 3.26Å; D71-R77 WeakPolarHBondContact O-CD 3.32Å; D71-R77 WeakPolarHBondContact O-CG 3.37Å; D71-R77 PolarHBondContact O-NH1 2.99Å; K72-R77 PolarHBondContact O-NH1 3.05Å; K72-R77 VanDerWaalsContact O-NH1 3.15Å; S73-R77 WeakPolarHBondContact O-CG 3.5Å; S73-R77 PolarHBondContact O-N 3.45Å; A74-R77 PolarHBondContact O-N 3.5Å; R77-A80 WeakPolarHBondContact O-CB 3.44Å; R77-A80 PolarHBondContact O-N 2.95Å; R77-L81 WeakPolarHBondContact O-CG 3.14Å; R77-L81 PolarHBondContact O-N 3Å; R77-E119 IonicContact CZ-OE1 3.53Å; R77-E119 IonicContact CZ-OE2 3.99Å; R77-E119 IonicContact NE-OE1 2.6Å; R77-E119 PolarHBondContact NE-OE1 3.05Å; R77-E119 IonicContact NE-OE2 4Å; R77-E119 IonicContact NH2-OE1 2.8Å; R77-E119 PolarHBondContact NH2-OE1 3.34Å; R77-E119 IonicContact NH2-OE2 3.37Å; R77-E119 PolarHBondContact NH2-OE2 2.77Å |
| 78 | Q | 96.7 | Very high | 97 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 176.3 | -177.2 | -173.7 | -19.5 | 0 | 0 | 111.6 | A74 T76 A80 L81 D82 | A74-Q78 WeakPolarHBondContact O-CB 3.26Å; A74-Q78 PolarHBondContact O-N 2.7Å; T76-Q78 PolarHBondContact O-N 2.76Å; Q78-A80 PolarHBondContact O-N 3.4Å; Q78-L81 PolarHBondContact O-N 2.65Å; Q78-L81 VanDerWaalsContact O-N 3.16Å; Q78-D82 PolarHBondContact O-N 2.79Å |
| 79 | G | 97.6 | Very high | 97 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -34.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K75 T76 G83 | K75-G79 PolarHBondContact O-N 2.98Å; T76-G79 PolarHBondContact O-N 3.37Å; G79-G83 PolarHBondContact O-N 3.28Å |
| 80 | A | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F65 T69 T76 R77 Q78 D82 G83 L84 | F65-A80 HydrophobicContact CB-CB 4.42Å; F65-A80 WeakPolarHBondContact O-CB 3.38Å; T69-A80 HydrophobicContact CG2-CB 4.16Å; T76-A80 WeakPolarHBondContact O-CB 3.37Å; T76-A80 PolarHBondContact O-N 3.07Å; R77-A80 WeakPolarHBondContact O-CB 3.44Å; R77-A80 PolarHBondContact O-N 2.95Å; Q78-A80 PolarHBondContact O-N 3.4Å; A80-D82 PolarHBondContact O-N 2.91Å; A80-G83 PolarHBondContact O-N 2.84Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.21Å |
| 81 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.4 | -66.7 | 169.5 | 0 | 0 | 0 | 111.3 | T69 R77 Q78 G83 L84 K85 C111 E119 A122 A123 L126 | T69-L81 HydrophobicContact CG2-CD2 4.25Å; R77-L81 WeakPolarHBondContact O-CG 3.14Å; R77-L81 PolarHBondContact O-N 3Å; Q78-L81 PolarHBondContact O-N 2.65Å; Q78-L81 VanDerWaalsContact O-N 3.16Å; L81-G83 VanDerWaalsContact C-N 3.34Å; L81-G83 PolarHBondContact O-N 3.28Å; L81-L84 PolarHBondContact O-N 2.79Å; L81-K85 VanDerWaalsContact O-CG 3.31Å; L81-K85 WeakPolarHBondContact O-CG 3.3Å; L81-K85 PolarHBondContact O-N 3.43Å; L81-C111 HydrophobicContact CD1-CB 4.04Å; L81-E119 HydrophobicContact CD1-CG 4.04Å; L81-A122 HydrophobicContact CB-CB 3.79Å; L81-A122 HydrophobicContact CD1-CB 3.99Å; L81-A123 HydrophobicContact CD1-CB 4.12Å; L81-L126 HydrophobicContact CD2-CD2 3.59Å |
| 82 | D | 97.8 | Very high | 96.6 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 177.9 | -72.7 | -38.9 | 0 | 0 | 0 | 112.5 | Q78 A80 K85 T86 | Q78-D82 PolarHBondContact O-N 2.79Å; A80-D82 PolarHBondContact O-N 2.91Å; D82-K85 PolarHBondContact O-N 2.8Å; D82-K85 IonicContact OD1-NZ 2.74Å; D82-K85 PolarHBondContact OD1-NZ 3.33Å; D82-T86 WeakPolarHBondContact O-CB 3.39Å; D82-T86 PolarHBondContact O-N 3.23Å; D82-T86 PolarHBondContact O-OG1 3.1Å |
| 83 | G | 98 | Very high | 96.6 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G79 A80 L81 T86 A87 | G79-G83 PolarHBondContact O-N 3.28Å; A80-G83 PolarHBondContact O-N 2.84Å; L81-G83 VanDerWaalsContact C-N 3.34Å; L81-G83 PolarHBondContact O-N 3.28Å; G83-T86 PolarHBondContact O-N 3Å; G83-A87 WeakPolarHBondContact O-CB 3.34Å; G83-A87 PolarHBondContact O-N 3.26Å; G83-A87 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.7 | -69.4 | 170.3 | 0 | 0 | 0 | 111.7 | L62 F65 I66 T69 A80 L81 T86 A87 M88 L126 | L62-L84 HydrophobicContact CD2-CD2 4.32Å; F65-L84 HydrophobicContact CB-CD1 4.42Å; F65-L84 HydrophobicContact CB-CD2 3.92Å; F65-L84 HydrophobicContact CB-CG 3.82Å; I66-L84 HydrophobicContact CG1-CD1 4.25Å; I66-L84 HydrophobicContact CG1-CD2 4.05Å; T69-L84 HydrophobicContact CG2-CD1 4.02Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.21Å; L81-L84 PolarHBondContact O-N 2.79Å; L84-T86 PolarHBondContact O-N 3.4Å; L84-A87 PolarHBondContact O-N 2.74Å; L84-M88 WeakPolarHBondContact O-CG 3.49Å; L84-M88 PolarHBondContact O-N 2.92Å; L84-L126 HydrophobicContact CB-CD1 3.72Å; L84-L126 HydrophobicContact CB-CD2 4.02Å; L84-L126 HydrophobicContact CD1-CD2 3.94Å |
| 85 | K | 97.7 | Very high | 96 | Very high | 45 Ų | 45 | 50.6 Ų | 50.6 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.3 | -50.3 | 175.6 | -75 | 169.5 | 53.4 | -173.6 | 0 | 111.3 | L81 D82 A87 M88 A89 A122 L126 L129 | L81-K85 VanDerWaalsContact O-CG 3.31Å; L81-K85 WeakPolarHBondContact O-CG 3.3Å; L81-K85 PolarHBondContact O-N 3.43Å; D82-K85 PolarHBondContact O-N 2.8Å; D82-K85 IonicContact OD1-NZ 2.74Å; D82-K85 PolarHBondContact OD1-NZ 3.33Å; K85-A87 VanDerWaalsContact C-N 3.27Å; K85-A87 PolarHBondContact O-N 2.8Å; K85-M88 PolarHBondContact O-N 2.92Å; K85-A89 WeakPolarHBondContact O-CB 3.44Å; K85-A89 PolarHBondContact O-N 2.96Å; K85-A122 HydrophobicContact CD-CB 4.37Å; K85-A122 WeakPolarHBondContact CD-O 3.17Å; K85-L126 HydrophobicContact CG-CB 3.87Å; K85-L126 HydrophobicContact CG-CD1 4.04Å; K85-L129 HydrophobicContact CB-CD1 3.76Å; K85-L129 HydrophobicContact CG-CD1 3.96Å; K85-L129 WeakPolarHBondContact O-CD1 3.31Å |
| 86 | T | 97.6 | Very high | 95.9 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 54% | 0.54 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -41.8 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 111 | D82 G83 L84 T90 | D82-T86 WeakPolarHBondContact O-CB 3.39Å; D82-T86 PolarHBondContact O-N 3.23Å; D82-T86 PolarHBondContact O-OG1 3.1Å; G83-T86 PolarHBondContact O-N 3Å; L84-T86 PolarHBondContact O-N 3.4Å; T86-T90 WeakPolarHBondContact O-CB 3.19Å; T86-T90 WeakPolarHBondContact O-CG2 3.44Å; T86-T90 PolarHBondContact O-N 3.11Å; T86-T90 VanDerWaalsContact O-N 3.17Å; T86-T90 PolarHBondContact O-OG1 3.4Å |
| 87 | A | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -49.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F58 L62 G83 L84 K85 A89 T90 R91 L93 | F58-A87 HydrophobicContact CZ-CB 3.85Å; L62-A87 HydrophobicContact CD2-CB 3.43Å; L62-A87 VanDerWaalsContact CD2-CB 3.43Å; G83-A87 WeakPolarHBondContact O-CB 3.34Å; G83-A87 PolarHBondContact O-N 3.26Å; G83-A87 VanDerWaalsContact O-N 3.08Å; L84-A87 PolarHBondContact O-N 2.74Å; K85-A87 VanDerWaalsContact C-N 3.27Å; K85-A87 PolarHBondContact O-N 2.8Å; A87-A89 VanDerWaalsContact C-N 3.31Å; A87-A89 PolarHBondContact O-N 2.93Å; A87-T90 PolarHBondContact O-N 2.88Å; A87-R91 PolarHBondContact O-N 2.97Å; A87-L93 HydrophobicContact CB-CD1 4.03Å |
| 88 | M | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.3 | -23.1 | -179.3 | -64.5 | -175 | -177.3 | 0 | 0 | 113.6 | L84 K85 L93 I97 I104 L126 L129 Q133 H366 | L84-M88 WeakPolarHBondContact O-CG 3.49Å; L84-M88 PolarHBondContact O-N 2.92Å; K85-M88 PolarHBondContact O-N 2.92Å; M88-L93 HydrophobicContact CG-CD1 4.44Å; M88-I97 HydrophobicContact CE-CD1 3.65Å; M88-I97 HydrophobicContact CE-CG1 3.89Å; M88-I97 HydrophobicContact CG-CD1 3.88Å; M88-I97 HydrophobicContact SD-CD1 3.92Å; M88-I104 HydrophobicContact CE-CD1 4.1Å; M88-I104 HydrophobicContact CE-CG2 4.46Å; M88-L126 HydrophobicContact CE-CD1 4.08Å; M88-L126 HydrophobicContact SD-CD1 3.6Å; M88-L126 VanDerWaalsContact SD-CD1 3.6Å; M88-L129 HydrophobicContact CB-CB 3.86Å; M88-L129 HydrophobicContact CB-CD1 4.41Å; M88-L129 HydrophobicContact SD-CB 4.23Å; M88-Q133 HydrophobicContact CB-CG 4.22Å; M88-Q133 HydrophobicContact CG-CG 4.46Å; M88-Q133 PolarHBondContact O-NE2 2.82Å; M88-H366 PolarHBondContact O-NE2 3.28Å |
| 89 | A | 97.3 | Very high | 95.1 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.5 | -28.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K85 A87 L129 V359 G362 H366 | K85-A89 WeakPolarHBondContact O-CB 3.44Å; K85-A89 PolarHBondContact O-N 2.96Å; A87-A89 VanDerWaalsContact C-N 3.31Å; A87-A89 PolarHBondContact O-N 2.93Å; A89-L129 HydrophobicContact CB-CD1 4.16Å; A89-L129 HydrophobicContact CB-CD2 3.98Å; A89-V359 VanDerWaalsContact O-CG1 3.26Å; A89-V359 WeakPolarHBondContact O-CG1 3.13Å; A89-G362 VanDerWaalsContact O-CA 3.31Å; A89-G362 WeakPolarHBondContact O-CA 3.4Å; A89-H366 PolarHBondContact O-NE2 2.87Å |
| 90 | T | 95.1 | Very high | 95 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -107.5 | -7.8 | -172.6 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | T86 A87 | T86-T90 WeakPolarHBondContact O-CB 3.19Å; T86-T90 WeakPolarHBondContact O-CG2 3.44Å; T86-T90 PolarHBondContact O-N 3.11Å; T86-T90 VanDerWaalsContact O-N 3.17Å; T86-T90 PolarHBondContact O-OG1 3.4Å; A87-T90 PolarHBondContact O-N 2.88Å |
| 91 | R | 93.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 42% | 0.423 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -143.2 | 154.1 | -179.8 | -61.7 | -173 | 178.8 | -165 | -6 | 110.6 | F58 A87 L93 Q133 | F58-R91 VanDerWaalsContact CG-NH1 3.29Å; A87-R91 PolarHBondContact O-N 2.97Å; R91-L93 HydrophobicContact CB-CD1 4.39Å; R91-L93 HydrophobicContact CB-CD2 3.91Å; R91-L93 HydrophobicContact CB-CG 3.99Å; R91-Q133 PolarHBondContact O-NE2 3.36Å |
| 92 | I | 92.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | trans | -94.4 | 119 | 174 | -63.3 | 156.1 | 0 | 0 | 0 | 106.2 | Y365 N370 | I92-Y365 HydrophobicContact CB-CE1 4.06Å; I92-Y365 HydrophobicContact CD1-CD1 3.92Å; I92-Y365 HydrophobicContact CD1-CE1 3.6Å; I92-Y365 HydrophobicContact CG1-CD1 3.94Å; I92-Y365 HydrophobicContact CG1-CE1 3.64Å; I92-N370 HydrophobicContact CD1-CB 4.05Å; I92-N370 VanDerWaalsContact CD1-N 3.28Å; I92-N370 HydrophobicContact CG1-CB 4.09Å | ||
| 93 | L | 93.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | trans | -129.2 | 27.4 | -165.9 | -60 | 174.7 | 0 | 0 | 0 | 111.4 | F58 L62 A87 M88 R91 E95 F96 I97 | F58-L93 HydrophobicContact CE1-CD1 4.29Å; F58-L93 HydrophobicContact CE1-CD2 3.8Å; L62-L93 HydrophobicContact CD1-CD1 3.92Å; A87-L93 HydrophobicContact CB-CD1 4.03Å; M88-L93 HydrophobicContact CG-CD1 4.44Å; R91-L93 HydrophobicContact CB-CD1 4.39Å; R91-L93 HydrophobicContact CB-CD2 3.91Å; R91-L93 HydrophobicContact CB-CG 3.99Å; L93-E95 PolarHBondContact O-N 3.29Å; L93-F96 PolarHBondContact O-N 2.97Å; L93-F96 VanDerWaalsContact O-N 3.14Å; L93-I97 HydrophobicContact CB-CD1 3.75Å; L93-I97 HydrophobicContact CB-CG1 4.08Å; L93-I97 WeakPolarHBondContact O-CB 3.35Å; L93-I97 VanDerWaalsContact O-CG1 3.27Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 3.14Å | ||
| 94 | Y | 89.6 | Confident | 94.7 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -48.5 | -56.7 | -173.4 | 178.8 | -103.2 | 0 | 0 | 0 | 112.7 | F96 I97 S98 Q133 L134 E139 | Y94-F96 VanDerWaalsContact C-N 3.34Å; Y94-F96 PolarHBondContact O-N 3.45Å; Y94-I97 PolarHBondContact O-N 3.45Å; Y94-S98 WeakPolarHBondContact O-CB 3.49Å; Y94-S98 PolarHBondContact O-N 2.96Å; Y94-Q133 WeakPolarHBondContact CD2-O 3.41Å; Y94-L134 HydrophobicContact CD2-CD2 4.5Å; Y94-L134 HydrophobicContact CE2-CD2 4.22Å; Y94-E139 WeakPolarHBondContact CE2-OE2 3.34Å; Y94-E139 PolarHBondContact OH-OE2 3.47Å |
| 95 | E | 89.1 | Confident | 94.7 | Very high | 141 Ų | 141 | 51.8 Ų | 51.8 | 66% | 0.659 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.6 | -46.4 | 179.9 | -64.2 | -60.7 | 150.1 | 0 | 0 | 112.8 | L93 I97 | L93-E95 PolarHBondContact O-N 3.29Å; E95-I97 VanDerWaalsContact C-N 3.31Å; E95-I97 PolarHBondContact O-N 3Å |
| 96 | F | 92.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 179.5 | 175.5 | -91.2 | 0 | 0 | 0 | 112.1 | Q59 L62 K63 I66 L93 Y94 R100 | Q59-F96 HydrophobicContact CB-CD2 4.31Å; Q59-F96 HydrophobicContact CB-CE2 4.3Å; Q59-F96 HydrophobicContact CG-CD2 4.07Å; L62-F96 HydrophobicContact CB-CE1 3.69Å; L62-F96 HydrophobicContact CB-CE2 4.05Å; L62-F96 HydrophobicContact CB-CZ 3.37Å; L62-F96 HydrophobicContact CD1-CD1 3.85Å; L62-F96 HydrophobicContact CD1-CE1 3.75Å; L62-F96 HydrophobicContact CD1-CE2 4.42Å; L62-F96 HydrophobicContact CD1-CG 4.26Å; L62-F96 HydrophobicContact CD1-CZ 4.06Å; L62-F96 HydrophobicContact CG-CE1 4.37Å; L62-F96 HydrophobicContact CG-CZ 4.38Å; K63-F96 HydrophobicContact CG-CE2 3.98Å; K63-F96 HydrophobicContact CG-CZ 4.16Å; I66-F96 HydrophobicContact CD1-CE1 3.94Å; I66-F96 HydrophobicContact CD1-CZ 3.91Å; L93-F96 PolarHBondContact O-N 2.97Å; L93-F96 VanDerWaalsContact O-N 3.14Å; Y94-F96 VanDerWaalsContact C-N 3.34Å; Y94-F96 PolarHBondContact O-N 3.45Å; F96-R100 PolarHBondContact O-NH1 3.12Å |
| 97 | I | 93.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.6 | -44.9 | -174.8 | -70.2 | 172.8 | 0 | 0 | 0 | 111.3 | M88 L93 Y94 E95 E99 R100 R101 L130 Q133 L134 | M88-I97 HydrophobicContact CE-CD1 3.65Å; M88-I97 HydrophobicContact CE-CG1 3.89Å; M88-I97 HydrophobicContact CG-CD1 3.88Å; M88-I97 HydrophobicContact SD-CD1 3.92Å; L93-I97 HydrophobicContact CB-CD1 3.75Å; L93-I97 HydrophobicContact CB-CG1 4.08Å; L93-I97 WeakPolarHBondContact O-CB 3.35Å; L93-I97 VanDerWaalsContact O-CG1 3.27Å; L93-I97 WeakPolarHBondContact O-CG1 3.46Å; L93-I97 PolarHBondContact O-N 3.14Å; Y94-I97 PolarHBondContact O-N 3.45Å; E95-I97 VanDerWaalsContact C-N 3.31Å; E95-I97 PolarHBondContact O-N 3Å; I97-E99 VanDerWaalsContact C-N 3.27Å; I97-E99 PolarHBondContact O-N 3.43Å; I97-R100 CarbonylContact O-C 3.56Å; I97-R100 WeakPolarHBondContact O-CA 3.42Å; I97-R100 PolarHBondContact O-N 2.88Å; I97-R101 WeakPolarHBondContact O-CA 3.3Å; I97-R101 PolarHBondContact O-N 3.07Å; I97-L130 HydrophobicContact CG2-CD1 3.23Å; I97-Q133 HydrophobicContact CD1-CB 3.63Å; I97-Q133 HydrophobicContact CD1-CG 3.63Å; I97-L134 HydrophobicContact CG2-CD2 3.94Å; I97-L134 HydrophobicContact CG2-CG 4.24Å |
| 98 | S | 88.7 | Confident | 94.8 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | -176.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | Y94 R100 R101 E139 | Y94-S98 WeakPolarHBondContact O-CB 3.49Å; Y94-S98 PolarHBondContact O-N 2.96Å; S98-R100 PolarHBondContact O-N 3.48Å; S98-R101 PolarHBondContact O-NH1 2.75Å; S98-R101 VanDerWaalsContact O-NH1 3.13Å; S98-E139 PolarHBondContact OG-OE1 3Å |
| 99 | E | 92.7 | Very high | 94.9 | Very high | 142 Ų | 142 | 51.2 Ų | 51.2 | 66% | 0.664 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.8 | 175.5 | -67.5 | -177.5 | 162.7 | 0 | 0 | 114.4 | I97 | I97-E99 VanDerWaalsContact C-N 3.27Å; I97-E99 PolarHBondContact O-N 3.43Å |
| 100 | R | 95.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 19% | 0.192 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 5 | -169.7 | -66.8 | 171.9 | -172.8 | 71.2 | 15.3 | 113.1 | I66 F96 I97 S98 M102 T103 I104 | I66-R100 HydrophobicContact CD1-CB 4.43Å; F96-R100 PolarHBondContact O-NH1 3.12Å; I97-R100 CarbonylContact O-C 3.56Å; I97-R100 WeakPolarHBondContact O-CA 3.42Å; I97-R100 PolarHBondContact O-N 2.88Å; S98-R100 PolarHBondContact O-N 3.48Å; R100-M102 VanDerWaalsContact C-N 3.26Å; R100-M102 PolarHBondContact O-N 3.28Å; R100-T103 PolarHBondContact O-N 3.21Å; R100-T103 VanDerWaalsContact O-N 3.09Å; R100-I104 HydrophobicContact CB-CD1 4.03Å; R100-I104 HydrophobicContact CB-CG1 4.34Å; R100-I104 WeakPolarHBondContact O-CG1 3.34Å; R100-I104 PolarHBondContact O-N 3.31Å |
| 101 | R | 94.7 | Very high | 95 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -39.4 | -170.9 | 71.1 | -178.6 | -173.8 | -83.3 | 1.7 | 112.5 | I97 S98 I104 T105 L134 E139 E142 | I97-R101 WeakPolarHBondContact O-CA 3.3Å; I97-R101 PolarHBondContact O-N 3.07Å; S98-R101 PolarHBondContact O-NH1 2.75Å; S98-R101 VanDerWaalsContact O-NH1 3.13Å; R101-I104 PolarHBondContact O-N 3.32Å; R101-T105 VanDerWaalsContact O-CB 3.28Å; R101-T105 WeakPolarHBondContact O-CB 3.4Å; R101-T105 PolarHBondContact O-N 3.01Å; R101-T105 PolarHBondContact O-OG1 3.3Å; R101-L134 HydrophobicContact CB-CD1 4.39Å; R101-E139 IonicContact CZ-OE1 2.76Å; R101-E139 IonicContact NH1-OE1 3.5Å; R101-E142 IonicContact CZ-OE2 3.07Å; R101-E142 IonicContact NE-OE2 3.59Å; R101-E142 IonicContact NH2-OE2 3.57Å; R101-E142 PolarHBondContact NH2-OE2 2.83Å |
| 102 | M | 96.8 | Very high | 95.2 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 48% | 0.478 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 178.6 | -61.3 | -53.9 | -65.5 | 0 | 0 | 111.2 | R100 I104 T105 D106 | R100-M102 VanDerWaalsContact C-N 3.26Å; R100-M102 PolarHBondContact O-N 3.28Å; M102-I104 PolarHBondContact O-N 3.1Å; M102-T105 PolarHBondContact O-N 3.24Å; M102-D106 PolarHBondContact O-N 3.2Å |
| 103 | T | 97.6 | Very high | 95.4 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.4 | -52 | 0 | 0 | 0 | 0 | 111.9 | I66 R100 T105 D106 S107 | I66-T103 HydrophobicContact CG2-CG2 3.82Å; R100-T103 PolarHBondContact O-N 3.21Å; R100-T103 VanDerWaalsContact O-N 3.09Å; T103-T105 VanDerWaalsContact C-N 3.32Å; T103-D106 PolarHBondContact O-N 3.43Å; T103-S107 PolarHBondContact O-N 3.16Å; T103-S107 PolarHBondContact O-OG 3.41Å |
| 104 | I | 98.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 178 | -62.5 | 167.9 | 0 | 0 | 0 | 110 | I66 M88 R100 R101 M102 S107 I108 L130 | I66-I104 HydrophobicContact CD1-CD1 4.12Å; I66-I104 HydrophobicContact CD1-CG1 3.95Å; I66-I104 HydrophobicContact CG1-CG1 4.24Å; M88-I104 HydrophobicContact CE-CD1 4.1Å; M88-I104 HydrophobicContact CE-CG2 4.46Å; R100-I104 HydrophobicContact CB-CD1 4.03Å; R100-I104 HydrophobicContact CB-CG1 4.34Å; R100-I104 WeakPolarHBondContact O-CG1 3.34Å; R100-I104 PolarHBondContact O-N 3.31Å; R101-I104 PolarHBondContact O-N 3.32Å; M102-I104 PolarHBondContact O-N 3.1Å; I104-S107 WeakPolarHBondContact O-CB 3.49Å; I104-S107 PolarHBondContact O-N 3.28Å; I104-I108 HydrophobicContact CG2-CD1 3.91Å; I104-I108 HydrophobicContact CG2-CG1 4.48Å; I104-I108 VanDerWaalsContact O-CG1 3.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 2.8Å; I104-L130 HydrophobicContact CB-CD2 4.48Å; I104-L130 HydrophobicContact CG2-CD2 3.97Å |
| 105 | T | 98.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | R101 M102 T103 S107 I108 E109 V143 T146 L147 | R101-T105 VanDerWaalsContact O-CB 3.28Å; R101-T105 WeakPolarHBondContact O-CB 3.4Å; R101-T105 PolarHBondContact O-N 3.01Å; R101-T105 PolarHBondContact O-OG1 3.3Å; M102-T105 PolarHBondContact O-N 3.24Å; T103-T105 VanDerWaalsContact C-N 3.32Å; T105-S107 VanDerWaalsContact C-N 3.25Å; T105-S107 PolarHBondContact O-N 3.46Å; T105-I108 PolarHBondContact O-N 3.09Å; T105-I108 VanDerWaalsContact O-N 3.16Å; T105-E109 WeakPolarHBondContact O-CB 3.48Å; T105-E109 PolarHBondContact O-N 3.49Å; T105-V143 HydrophobicContact CG2-CG1 4.31Å; T105-V143 WeakPolarHBondContact OG1-CG2 3.29Å; T105-T146 HydrophobicContact CG2-CG2 4.07Å; T105-L147 HydrophobicContact CG2-CD1 4.48Å; T105-L147 HydrophobicContact CG2-CD2 4.2Å; T105-L147 HydrophobicContact CG2-CG 4.19Å |
| 106 | D | 98.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 56 Ų | 56 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 175.7 | -76.5 | -3.9 | 0 | 0 | 0 | 111.8 | M102 T103 R110 | M102-D106 PolarHBondContact O-N 3.2Å; T103-D106 PolarHBondContact O-N 3.43Å; D106-R110 VanDerWaalsContact O-CB 3.28Å; D106-R110 WeakPolarHBondContact O-CB 3.28Å; D106-R110 PolarHBondContact O-N 3.43Å |
| 107 | S | 98 | Very high | 95.6 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 175.3 | -72.1 | 0 | 0 | 0 | 0 | 111.9 | T69 T103 I104 T105 R110 C111 | T69-S107 VanDerWaalsContact OG1-CB 3.24Å; T69-S107 WeakPolarHBondContact OG1-CB 3.11Å; T69-S107 PolarHBondContact OG1-OG 3.24Å; T103-S107 PolarHBondContact O-N 3.16Å; T103-S107 PolarHBondContact O-OG 3.41Å; I104-S107 WeakPolarHBondContact O-CB 3.49Å; I104-S107 PolarHBondContact O-N 3.28Å; T105-S107 VanDerWaalsContact C-N 3.25Å; T105-S107 PolarHBondContact O-N 3.46Å; S107-R110 PolarHBondContact O-N 2.96Å; S107-C111 WeakPolarHBondContact O-CB 3.25Å; S107-C111 PolarHBondContact O-N 3.28Å; S107-C111 PolarHBondContact O-SG 2.9Å; S107-C111 VanDerWaalsContact O-SG 3.4Å |
| 108 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 175.5 | -68.2 | 163.7 | 0 | 0 | 0 | 110.3 | I104 T105 R110 C111 L112 A123 L126 A127 L130 L147 | I104-I108 HydrophobicContact CG2-CD1 3.91Å; I104-I108 HydrophobicContact CG2-CG1 4.48Å; I104-I108 VanDerWaalsContact O-CG1 3.28Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 2.8Å; T105-I108 PolarHBondContact O-N 3.09Å; T105-I108 VanDerWaalsContact O-N 3.16Å; I108-R110 VanDerWaalsContact C-N 3.29Å; I108-R110 PolarHBondContact O-N 3.3Å; I108-C111 PolarHBondContact O-N 3.13Å; I108-L112 HydrophobicContact CG2-CD1 3.67Å; I108-L112 HydrophobicContact CG2-CG 4.23Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.39Å; I108-L112 PolarHBondContact O-N 3.1Å; I108-A123 HydrophobicContact CG2-CB 4.31Å; I108-A123 WeakPolarHBondContact CG2-O 3.35Å; I108-L126 HydrophobicContact CD1-CB 4.38Å; I108-L126 HydrophobicContact CD1-CD2 4.18Å; I108-L126 HydrophobicContact CD1-CG 3.96Å; I108-L126 HydrophobicContact CG1-CB 4.39Å; I108-L126 HydrophobicContact CG1-CD2 3.91Å; I108-L126 HydrophobicContact CG1-CG 4.14Å; I108-A127 HydrophobicContact CD1-CB 4.44Å; I108-A127 HydrophobicContact CG2-CB 4.17Å; I108-L130 HydrophobicContact CD1-CD2 3.87Å; I108-L147 HydrophobicContact CB-CD1 4.44Å; I108-L147 HydrophobicContact CB-CD2 4.39Å; I108-L147 HydrophobicContact CG2-CD1 3.73Å; I108-L147 HydrophobicContact CG2-CD2 3.86Å; I108-L147 HydrophobicContact CG2-CG 4.46Å |
| 109 | E | 98.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.5 | -47.6 | 178.2 | 164.7 | 170.7 | -166.6 | 0 | 0 | 111 | T105 L112 K113 T146 L147 I150 | T105-E109 WeakPolarHBondContact O-CB 3.48Å; T105-E109 PolarHBondContact O-N 3.49Å; E109-L112 PolarHBondContact O-N 3.39Å; E109-K113 HydrophobicContact CG-CD 3.94Å; E109-K113 WeakPolarHBondContact O-CB 3.44Å; E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.46Å; E109-K113 VanDerWaalsContact OE1-CE 3.3Å; E109-K113 WeakPolarHBondContact OE1-CE 3.5Å; E109-K113 IonicContact OE1-NZ 2.64Å; E109-K113 PolarHBondContact OE1-NZ 3.05Å; E109-T146 WeakPolarHBondContact OE2-CG2 3.29Å; E109-L147 HydrophobicContact CB-CD2 3.94Å; E109-I150 HydrophobicContact CB-CD1 4.07Å; E109-I150 HydrophobicContact CG-CD1 3.63Å |
| 110 | R | 97.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 54 Ų | 54 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 179.5 | -174.5 | -175.4 | -54.8 | 179 | 8.7 | 111.9 | V70 D106 S107 I108 L112 K113 K114 | V70-R110 VanDerWaalsContact CB-NH1 3.3Å; D106-R110 VanDerWaalsContact O-CB 3.28Å; D106-R110 WeakPolarHBondContact O-CB 3.28Å; D106-R110 PolarHBondContact O-N 3.43Å; S107-R110 PolarHBondContact O-N 2.96Å; I108-R110 VanDerWaalsContact C-N 3.29Å; I108-R110 PolarHBondContact O-N 3.3Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-K113 PolarHBondContact O-N 3.31Å; R110-K114 HydrophobicContact CG-CD 4.24Å; R110-K114 WeakPolarHBondContact O-CB 3.48Å; R110-K114 PolarHBondContact O-N 3.28Å |
| 111 | C | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -34.3 | 178.5 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | L81 S107 I108 G115 E119 A123 | L81-C111 HydrophobicContact CD1-CB 4.04Å; S107-C111 WeakPolarHBondContact O-CB 3.25Å; S107-C111 PolarHBondContact O-N 3.28Å; S107-C111 PolarHBondContact O-SG 2.9Å; S107-C111 VanDerWaalsContact O-SG 3.4Å; I108-C111 PolarHBondContact O-N 3.13Å; C111-G115 WeakPolarHBondContact O-CA 3.49Å; C111-G115 PolarHBondContact O-N 3.03Å; C111-E119 HydrophobicContact CB-CG 4.07Å; C111-E119 PolarHBondContact SG-OE1 2.86Å; C111-A123 HydrophobicContact CB-CB 3.69Å |
| 112 | L | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.9 | -44.4 | 173.4 | -70 | 168.4 | 0 | 0 | 0 | 112.2 | I108 E109 R110 Q120 A123 A124 L147 I150 F151 I154 | I108-L112 HydrophobicContact CG2-CD1 3.67Å; I108-L112 HydrophobicContact CG2-CG 4.23Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.39Å; I108-L112 PolarHBondContact O-N 3.1Å; E109-L112 PolarHBondContact O-N 3.39Å; R110-L112 VanDerWaalsContact C-N 3.32Å; L112-Q120 PolarHBondContact O-NE2 3.16Å; L112-A123 HydrophobicContact CD2-CB 3.97Å; L112-A123 HydrophobicContact CG-CB 3.9Å; L112-A124 HydrophobicContact CD2-CB 4.19Å; L112-L147 HydrophobicContact CD1-CD2 4.14Å; L112-I150 HydrophobicContact CB-CG2 3.77Å; L112-I150 HydrophobicContact CD1-CG2 4.44Å; L112-F151 HydrophobicContact CD1-CD1 4.01Å; L112-F151 HydrophobicContact CD1-CE1 3.41Å; L112-F151 VanDerWaalsContact CD1-CE1 3.41Å; L112-F151 HydrophobicContact CD1-CZ 4.23Å; L112-F151 HydrophobicContact CD2-CD1 4.42Å; L112-F151 HydrophobicContact CD2-CE1 3.9Å; L112-F151 HydrophobicContact CG-CE1 4.31Å; L112-I154 HydrophobicContact CB-CD1 4.24Å; L112-I154 HydrophobicContact CD2-CD1 4.21Å |
| 113 | K | 96.5 | Very high | 96.4 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -74.6 | -39.8 | -177.5 | -74.7 | -178.8 | 173 | 177.7 | 0 | 113.6 | E109 R110 I150 | E109-K113 HydrophobicContact CG-CD 3.94Å; E109-K113 WeakPolarHBondContact O-CB 3.44Å; E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.46Å; E109-K113 VanDerWaalsContact OE1-CE 3.3Å; E109-K113 WeakPolarHBondContact OE1-CE 3.5Å; E109-K113 IonicContact OE1-NZ 2.64Å; E109-K113 PolarHBondContact OE1-NZ 3.05Å; R110-K113 PolarHBondContact O-N 3.31Å; K113-I150 HydrophobicContact CD-CD1 4.28Å; K113-I150 HydrophobicContact CG-CD1 4.16Å; K113-I150 HydrophobicContact CG-CG1 4.46Å; K113-I150 HydrophobicContact CG-CG2 4.13Å |
| 114 | K | 94.7 | Very high | 96.4 | Very high | 168 Ų | 168 | 43.6 Ų | 43.6 | 73% | 0.73 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -112.4 | -22.4 | -171.1 | -60.6 | -175.5 | 180 | 178.2 | 0 | 113.8 | R110 | R110-K114 HydrophobicContact CG-CD 4.24Å; R110-K114 WeakPolarHBondContact O-CB 3.48Å; R110-K114 PolarHBondContact O-N 3.28Å |
| 115 | G | 93.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | trans | -72.5 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C111 E119 | C111-G115 WeakPolarHBondContact O-CA 3.49Å; C111-G115 PolarHBondContact O-N 3.03Å; G115-E119 WeakPolarHBondContact CA-OE2 3.4Å | ||
| 116 | K | 90.9 | Very high | 96.4 | Very high | 175 Ų | 175 | 44.3 Ų | 44.3 | 76% | 0.761 | 20% | 0.204 | S | C | * | . | trans | -140.5 | 146.2 | 179.2 | -62.9 | -174.5 | 179.7 | -176.9 | 0 | 111 | E118 E119 | K116-E118 PolarHBondContact O-N 3.35Å; K116-E118 VanDerWaalsContact O-N 3.1Å; K116-E119 PolarHBondContact O-N 3.13Å; K116-E119 VanDerWaalsContact O-N 3.13Å | ||
| 117 | G | 90.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -112.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113 | E119 Q120 R121 | G117-E119 VanDerWaalsContact C-N 3.32Å; G117-E119 PolarHBondContact O-N 2.88Å; G117-Q120 PolarHBondContact O-N 3.31Å; G117-R121 PolarHBondContact O-N 3.05Å; G117-R121 VanDerWaalsContact O-N 3.09Å |
| 118 | E | 93.2 | Very high | 96.4 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 41% | 0.411 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -55.5 | -41.9 | 179 | -62.1 | -61.3 | 127.8 | 0 | 0 | 113.2 | K116 Q120 R121 A122 | K116-E118 PolarHBondContact O-N 3.35Å; K116-E118 VanDerWaalsContact O-N 3.1Å; E118-Q120 PolarHBondContact O-N 3.02Å; E118-R121 VanDerWaalsContact CD-NH2 3.31Å; E118-R121 PolarHBondContact O-N 3.29Å; E118-R121 IonicContact OE1-CZ 3.68Å; E118-R121 VanDerWaalsContact OE1-CZ 3.28Å; E118-R121 IonicContact OE1-NH1 2.76Å; E118-R121 PolarHBondContact OE1-NH1 3.14Å; E118-R121 VanDerWaalsContact OE1-NH1 3.07Å; E118-R121 IonicContact OE1-NH2 3.94Å; E118-R121 PolarHBondContact OE1-NH2 2.89Å; E118-R121 IonicContact OE2-CZ 3.68Å; E118-R121 IonicContact OE2-NH1 3.55Å; E118-R121 PolarHBondContact OE2-NH1 3.34Å; E118-R121 IonicContact OE2-NH2 2.84Å; E118-A122 WeakPolarHBondContact O-CB 3.28Å; E118-A122 PolarHBondContact O-N 3.01Å |
| 119 | E | 95.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | -178.6 | -174.6 | -178.5 | 170.8 | 0 | 0 | 111.2 | R77 L81 C111 G115 K116 G117 R121 A122 A123 | R77-E119 IonicContact CZ-OE1 3.53Å; R77-E119 IonicContact CZ-OE2 3.99Å; R77-E119 IonicContact NE-OE1 2.6Å; R77-E119 PolarHBondContact NE-OE1 3.05Å; R77-E119 IonicContact NE-OE2 4Å; R77-E119 IonicContact NH2-OE1 2.8Å; R77-E119 PolarHBondContact NH2-OE1 3.34Å; R77-E119 IonicContact NH2-OE2 3.37Å; R77-E119 PolarHBondContact NH2-OE2 2.77Å; L81-E119 HydrophobicContact CD1-CG 4.04Å; C111-E119 HydrophobicContact CB-CG 4.07Å; C111-E119 PolarHBondContact SG-OE1 2.86Å; G115-E119 WeakPolarHBondContact CA-OE2 3.4Å; K116-E119 PolarHBondContact O-N 3.13Å; K116-E119 VanDerWaalsContact O-N 3.13Å; G117-E119 VanDerWaalsContact C-N 3.32Å; G117-E119 PolarHBondContact O-N 2.88Å; E119-R121 VanDerWaalsContact C-N 3.35Å; E119-A122 PolarHBondContact O-N 2.62Å; E119-A123 WeakPolarHBondContact O-CB 3.27Å; E119-A123 PolarHBondContact O-N 2.9Å |
| 120 | Q | 97.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.8 | -70.5 | 178.1 | -56 | 0 | 0 | 111.4 | L112 G117 E118 A123 A124 A164 | L112-Q120 PolarHBondContact O-NE2 3.16Å; G117-Q120 PolarHBondContact O-N 3.31Å; E118-Q120 PolarHBondContact O-N 3.02Å; Q120-A123 PolarHBondContact O-N 2.62Å; Q120-A124 WeakPolarHBondContact O-CB 3.36Å; Q120-A124 PolarHBondContact O-N 3.34Å; Q120-A164 HydrophobicContact CB-CB 3.85Å |
| 121 | R | 96.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 33.2 Ų | 33.2 | 23% | 0.234 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | 175.6 | 166.6 | 158.9 | 17.9 | 82.5 | 7.2 | 111.8 | G117 E118 E119 A123 A124 S125 Q163 A167 | G117-R121 PolarHBondContact O-N 3.05Å; G117-R121 VanDerWaalsContact O-N 3.09Å; E118-R121 VanDerWaalsContact CD-NH2 3.31Å; E118-R121 PolarHBondContact O-N 3.29Å; E118-R121 IonicContact OE1-CZ 3.68Å; E118-R121 VanDerWaalsContact OE1-CZ 3.28Å; E118-R121 IonicContact OE1-NH1 2.76Å; E118-R121 PolarHBondContact OE1-NH1 3.14Å; E118-R121 VanDerWaalsContact OE1-NH1 3.07Å; E118-R121 IonicContact OE1-NH2 3.94Å; E118-R121 PolarHBondContact OE1-NH2 2.89Å; E118-R121 IonicContact OE2-CZ 3.68Å; E118-R121 IonicContact OE2-NH1 3.55Å; E118-R121 PolarHBondContact OE2-NH1 3.34Å; E118-R121 IonicContact OE2-NH2 2.84Å; E119-R121 VanDerWaalsContact C-N 3.35Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 2.97Å; R121-A124 PolarHBondContact O-N 3.36Å; R121-S125 PolarHBondContact O-N 3.39Å; R121-S125 PolarHBondContact O-OG 2.96Å; R121-Q163 VanDerWaalsContact NH2-CB 3.31Å; R121-A167 HydrophobicContact CB-CB 3.75Å; R121-A167 HydrophobicContact CG-CB 3.6Å |
| 122 | A | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L81 K85 E118 E119 S125 L126 | L81-A122 HydrophobicContact CB-CB 3.79Å; L81-A122 HydrophobicContact CD1-CB 3.99Å; K85-A122 HydrophobicContact CD-CB 4.37Å; K85-A122 WeakPolarHBondContact CD-O 3.17Å; E118-A122 WeakPolarHBondContact O-CB 3.28Å; E118-A122 PolarHBondContact O-N 3.01Å; E119-A122 PolarHBondContact O-N 2.62Å; A122-S125 PolarHBondContact O-N 2.95Å; A122-L126 WeakPolarHBondContact O-CB 3.41Å; A122-L126 PolarHBondContact O-N 3.34Å |
| 123 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L81 I108 C111 L112 E119 Q120 R121 L126 A127 | L81-A123 HydrophobicContact CD1-CB 4.12Å; I108-A123 HydrophobicContact CG2-CB 4.31Å; I108-A123 WeakPolarHBondContact CG2-O 3.35Å; C111-A123 HydrophobicContact CB-CB 3.69Å; L112-A123 HydrophobicContact CD2-CB 3.97Å; L112-A123 HydrophobicContact CG-CB 3.9Å; E119-A123 WeakPolarHBondContact O-CB 3.27Å; E119-A123 PolarHBondContact O-N 2.9Å; Q120-A123 PolarHBondContact O-N 2.62Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 2.97Å; A123-L126 PolarHBondContact O-N 3.26Å; A123-A127 PolarHBondContact O-N 2.87Å |
| 124 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L112 Q120 R121 L126 A127 C128 F151 A167 V168 S171 | L112-A124 HydrophobicContact CD2-CB 4.19Å; Q120-A124 WeakPolarHBondContact O-CB 3.36Å; Q120-A124 PolarHBondContact O-N 3.34Å; R121-A124 PolarHBondContact O-N 3.36Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 3.35Å; A124-A127 VanDerWaalsContact O-CB 3.32Å; A124-A127 WeakPolarHBondContact O-CB 3.5Å; A124-A127 PolarHBondContact O-N 3.43Å; A124-C128 PolarHBondContact O-N 2.97Å; A124-F151 HydrophobicContact CB-CE1 4.1Å; A124-F151 HydrophobicContact CB-CZ 4.46Å; A124-A167 HydrophobicContact CB-CB 4.38Å; A124-V168 HydrophobicContact CB-CG2 4.07Å; A124-S171 VanDerWaalsContact C-OG 3.31Å; A124-S171 PolarHBondContact O-OG 2.91Å |
| 125 | S | 97.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 20.4 Ų | 20.4 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 175.8 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | R121 A122 A127 C128 L129 | R121-S125 PolarHBondContact O-N 3.39Å; R121-S125 PolarHBondContact O-OG 2.96Å; A122-S125 PolarHBondContact O-N 2.95Å; S125-A127 VanDerWaalsContact C-N 3.31Å; S125-C128 WeakPolarHBondContact O-CB 3.35Å; S125-C128 PolarHBondContact O-N 3.35Å; S125-L129 PolarHBondContact O-N 3.23Å |
| 126 | L | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 176.3 | -176.3 | 60 | 0 | 0 | 0 | 111.5 | L81 L84 K85 M88 I108 A122 A123 A124 C128 L129 L130 | L81-L126 HydrophobicContact CD2-CD2 3.59Å; L84-L126 HydrophobicContact CB-CD1 3.72Å; L84-L126 HydrophobicContact CB-CD2 4.02Å; L84-L126 HydrophobicContact CD1-CD2 3.94Å; K85-L126 HydrophobicContact CG-CB 3.87Å; K85-L126 HydrophobicContact CG-CD1 4.04Å; M88-L126 HydrophobicContact CE-CD1 4.08Å; M88-L126 HydrophobicContact SD-CD1 3.6Å; M88-L126 VanDerWaalsContact SD-CD1 3.6Å; I108-L126 HydrophobicContact CD1-CB 4.38Å; I108-L126 HydrophobicContact CD1-CD2 4.18Å; I108-L126 HydrophobicContact CD1-CG 3.96Å; I108-L126 HydrophobicContact CG1-CB 4.39Å; I108-L126 HydrophobicContact CG1-CD2 3.91Å; I108-L126 HydrophobicContact CG1-CG 4.14Å; A122-L126 WeakPolarHBondContact O-CB 3.41Å; A122-L126 PolarHBondContact O-N 3.34Å; A123-L126 PolarHBondContact O-N 3.26Å; A124-L126 VanDerWaalsContact C-N 3.31Å; A124-L126 PolarHBondContact O-N 3.35Å; L126-C128 VanDerWaalsContact C-N 3.32Å; L126-C128 PolarHBondContact O-N 2.94Å; L126-L129 PolarHBondContact O-N 3.5Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 PolarHBondContact O-N 3.46Å |
| 127 | A | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I108 A123 A124 S125 L130 C131 L147 F151 | I108-A127 HydrophobicContact CD1-CB 4.44Å; I108-A127 HydrophobicContact CG2-CB 4.17Å; A123-A127 PolarHBondContact O-N 2.87Å; A124-A127 VanDerWaalsContact O-CB 3.32Å; A124-A127 WeakPolarHBondContact O-CB 3.5Å; A124-A127 PolarHBondContact O-N 3.43Å; S125-A127 VanDerWaalsContact C-N 3.31Å; A127-L130 WeakPolarHBondContact O-CB 3.36Å; A127-L130 PolarHBondContact O-N 3.35Å; A127-C131 PolarHBondContact O-N 2.88Å; A127-C131 PolarHBondContact O-SG 3.25Å; A127-C131 VanDerWaalsContact O-SG 3.39Å; A127-L147 HydrophobicContact CB-CD1 3.66Å; A127-F151 HydrophobicContact CB-CE2 4.3Å; A127-F151 HydrophobicContact CB-CZ 3.69Å |
| 128 | C | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | A124 S125 L126 L130 C131 I132 S171 L174 F358 | A124-C128 PolarHBondContact O-N 2.97Å; S125-C128 WeakPolarHBondContact O-CB 3.35Å; S125-C128 PolarHBondContact O-N 3.35Å; L126-C128 VanDerWaalsContact C-N 3.32Å; L126-C128 PolarHBondContact O-N 2.94Å; C128-L130 VanDerWaalsContact C-N 3.27Å; C128-L130 PolarHBondContact O-N 2.95Å; C128-C131 PolarHBondContact O-N 2.71Å; C128-I132 WeakPolarHBondContact O-CB 3.41Å; C128-I132 VanDerWaalsContact O-CG1 3.26Å; C128-I132 WeakPolarHBondContact O-CG1 3.4Å; C128-I132 PolarHBondContact O-N 3.3Å; C128-S171 WeakPolarHBondContact SG-CA 3.5Å; C128-S171 WeakPolarHBondContact SG-CB 3.47Å; C128-L174 HydrophobicContact CB-CD2 3.84Å; C128-F358 HydrophobicContact CB-CD1 3.52Å; C128-F358 HydrophobicContact CB-CD2 4.4Å; C128-F358 HydrophobicContact CB-CE1 3.72Å; C128-F358 HydrophobicContact CB-CG 3.89Å; C128-F358 HydrophobicContact CB-CZ 4.24Å; C128-F358 WeakPolarHBondContact SG-CE1 3.31Å; C128-F358 VanDerWaalsContact SG-CZ 3.52Å |
| 129 | L | 98.3 | Very high | 94 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.4 | -35.2 | -179.4 | -71.4 | 169.4 | 0 | 0 | 0 | 111.3 | K85 M88 A89 S125 L126 I132 Q133 F358 V359 | K85-L129 HydrophobicContact CB-CD1 3.76Å; K85-L129 HydrophobicContact CG-CD1 3.96Å; K85-L129 WeakPolarHBondContact O-CD1 3.31Å; M88-L129 HydrophobicContact CB-CB 3.86Å; M88-L129 HydrophobicContact CB-CD1 4.41Å; M88-L129 HydrophobicContact SD-CB 4.23Å; A89-L129 HydrophobicContact CB-CD1 4.16Å; A89-L129 HydrophobicContact CB-CD2 3.98Å; S125-L129 PolarHBondContact O-N 3.23Å; L126-L129 PolarHBondContact O-N 3.5Å; L129-I132 HydrophobicContact CD2-CD1 4.25Å; L129-I132 PolarHBondContact O-N 3.34Å; L129-Q133 WeakPolarHBondContact O-CB 3.46Å; L129-Q133 WeakPolarHBondContact O-CG 3.48Å; L129-Q133 PolarHBondContact O-N 3.45Å; L129-F358 HydrophobicContact CD2-CB 4.17Å; L129-F358 HydrophobicContact CG-CB 4.45Å; L129-V359 HydrophobicContact CD2-CG2 4.29Å |
| 130 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 171.7 | 179.2 | 58.2 | 0 | 0 | 0 | 111.1 | I97 I104 I108 L126 A127 C128 I132 Q133 L134 V143 | I97-L130 HydrophobicContact CG2-CD1 3.23Å; I104-L130 HydrophobicContact CB-CD2 4.48Å; I104-L130 HydrophobicContact CG2-CD2 3.97Å; I108-L130 HydrophobicContact CD1-CD2 3.87Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 PolarHBondContact O-N 3.46Å; A127-L130 WeakPolarHBondContact O-CB 3.36Å; A127-L130 PolarHBondContact O-N 3.35Å; C128-L130 VanDerWaalsContact C-N 3.27Å; C128-L130 PolarHBondContact O-N 2.95Å; L130-I132 PolarHBondContact O-N 3.36Å; L130-Q133 PolarHBondContact O-N 3.44Å; L130-L134 HydrophobicContact CD1-CD1 3.81Å; L130-L134 HydrophobicContact CD1-CG 4.17Å; L130-L134 HydrophobicContact CG-CD1 4Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 3.45Å; L130-V143 HydrophobicContact CD2-CG1 3.71Å; L130-V143 HydrophobicContact CD2-CG2 4.11Å; L130-V143 HydrophobicContact CG-CG1 4.26Å; L130-V143 HydrophobicContact CG-CG2 4.49Å |
| 131 | C | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176 | -66 | 0 | 0 | 0 | 0 | 112.1 | A127 C128 Q133 L134 G135 V178 | A127-C131 PolarHBondContact O-N 2.88Å; A127-C131 PolarHBondContact O-SG 3.25Å; A127-C131 VanDerWaalsContact O-SG 3.39Å; C128-C131 PolarHBondContact O-N 2.71Å; C131-Q133 VanDerWaalsContact C-N 3.27Å; C131-Q133 PolarHBondContact O-N 3.26Å; C131-L134 PolarHBondContact O-N 3.21Å; C131-G135 PolarHBondContact O-N 3Å; C131-V178 HydrophobicContact CB-CB 4.27Å; C131-V178 HydrophobicContact CB-CG1 3.91Å; C131-V178 WeakPolarHBondContact O-CG1 3.36Å |
| 132 | I | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 176.7 | -71.8 | 161.4 | 0 | 0 | 0 | 111.7 | C128 L129 L130 L174 F355 F358 V359 N370 I373 | C128-I132 WeakPolarHBondContact O-CB 3.41Å; C128-I132 VanDerWaalsContact O-CG1 3.26Å; C128-I132 WeakPolarHBondContact O-CG1 3.4Å; C128-I132 PolarHBondContact O-N 3.3Å; L129-I132 HydrophobicContact CD2-CD1 4.25Å; L129-I132 PolarHBondContact O-N 3.34Å; L130-I132 PolarHBondContact O-N 3.36Å; I132-L174 HydrophobicContact CD1-CD2 3.78Å; I132-L174 HydrophobicContact CG1-CD2 4.32Å; I132-F355 HydrophobicContact CD1-CD1 4.05Å; I132-F355 HydrophobicContact CD1-CE1 4.49Å; I132-F355 HydrophobicContact CG1-CD1 3.94Å; I132-F355 HydrophobicContact CG1-CE1 3.92Å; I132-F358 HydrophobicContact CD1-CB 4.25Å; I132-V359 HydrophobicContact CD1-CG2 3.92Å; I132-V359 HydrophobicContact CG2-CG2 4.41Å; I132-N370 PolarHBondContact O-ND2 3.13Å; I132-I373 HydrophobicContact CG2-CD1 3.59Å; I132-I373 HydrophobicContact CG2-CG1 4.3Å |
| 133 | Q | 94.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.2 | -39.4 | -179.6 | -72.9 | -77.2 | -15.2 | 0 | 0 | 112.1 | M88 R91 Y94 I97 L129 L130 C131 H366 | M88-Q133 HydrophobicContact CB-CG 4.22Å; M88-Q133 HydrophobicContact CG-CG 4.46Å; M88-Q133 PolarHBondContact O-NE2 2.82Å; R91-Q133 PolarHBondContact O-NE2 3.36Å; Y94-Q133 WeakPolarHBondContact CD2-O 3.41Å; I97-Q133 HydrophobicContact CD1-CB 3.63Å; I97-Q133 HydrophobicContact CD1-CG 3.63Å; L129-Q133 WeakPolarHBondContact O-CB 3.46Å; L129-Q133 WeakPolarHBondContact O-CG 3.48Å; L129-Q133 PolarHBondContact O-N 3.45Å; L130-Q133 PolarHBondContact O-N 3.44Å; C131-Q133 VanDerWaalsContact C-N 3.27Å; C131-Q133 PolarHBondContact O-N 3.26Å; Q133-H366 PolarHBondContact NE2-CE1 3.39Å; Q133-H366 VanDerWaalsContact NE2-CE1 3.27Å |
| 134 | L | 91.5 | Very high | 93 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -75.9 | -27.6 | 178.6 | -67.4 | 172.6 | 0 | 0 | 0 | 112.4 | Y94 I97 R101 L130 C131 E139 V143 | Y94-L134 HydrophobicContact CD2-CD2 4.5Å; Y94-L134 HydrophobicContact CE2-CD2 4.22Å; I97-L134 HydrophobicContact CG2-CD2 3.94Å; I97-L134 HydrophobicContact CG2-CG 4.24Å; R101-L134 HydrophobicContact CB-CD1 4.39Å; L130-L134 HydrophobicContact CD1-CD1 3.81Å; L130-L134 HydrophobicContact CD1-CG 4.17Å; L130-L134 HydrophobicContact CG-CD1 4Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 3.45Å; C131-L134 PolarHBondContact O-N 3.21Å; L134-E139 HydrophobicContact CD1-CB 4.36Å; L134-E139 HydrophobicContact CD2-CB 4.23Å; L134-V143 HydrophobicContact CD1-CG2 3.86Å |
| 135 | G | 87.4 | Confident | 93 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | trans | 75.9 | -166.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C131 S140 F372 | C131-G135 PolarHBondContact O-N 3Å; G135-S140 WeakPolarHBondContact O-CB 3.48Å; G135-S140 PolarHBondContact O-OG 2.98Å; G135-F372 VanDerWaalsContact CA-CG 3.46Å | ||
| 136 | S | 82.8 | Confident | 93 | Very high | 89 Ų | 89 | 32.7 Ų | 32.7 | 62% | 0.622 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -76.6 | 141.2 | 173.9 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | V178 | S136-V178 WeakPolarHBondContact CA-O 3.18Š|
| 137 | G | 79.8 | Confident | 93 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 130.7 | -173.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E139 S140 E141 | G137-E139 PolarHBondContact O-N 3.21Å; G137-E139 VanDerWaalsContact O-N 3.07Å; G137-S140 PolarHBondContact O-N 3.2Å; G137-S140 PolarHBondContact O-OG 3.04Å; G137-S140 VanDerWaalsContact O-OG 3.05Å; G137-E141 WeakPolarHBondContact O-CG 3.42Å; G137-E141 PolarHBondContact O-N 3.24Å |
| 138 | I | 83.9 | Confident | 93 | Very high | 119 Ų | 119 | 33.4 Ų | 33.4 | 61% | 0.61 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -54.2 | -38.8 | -167.8 | -58.5 | 170.4 | 0 | 0 | 0 | 112.6 | S140 E141 E142 | I138-S140 PolarHBondContact O-N 3.4Å; I138-E141 PolarHBondContact O-N 3.25Å; I138-E142 HydrophobicContact CG2-CG 4.34Å; I138-E142 WeakPolarHBondContact O-CB 3.34Å; I138-E142 WeakPolarHBondContact O-CG 3.41Å; I138-E142 PolarHBondContact O-N 3.3Å |
| 139 | E | 88.3 | Confident | 93 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | -178.5 | -62.8 | -170.7 | 121.4 | 0 | 0 | 112.4 | Y94 S98 R101 L134 G137 V143 | Y94-E139 WeakPolarHBondContact CE2-OE2 3.34Å; Y94-E139 PolarHBondContact OH-OE2 3.47Å; S98-E139 PolarHBondContact OG-OE1 3Å; R101-E139 IonicContact CZ-OE1 2.76Å; R101-E139 IonicContact NH1-OE1 3.5Å; L134-E139 HydrophobicContact CD1-CB 4.36Å; L134-E139 HydrophobicContact CD2-CB 4.23Å; G137-E139 PolarHBondContact O-N 3.21Å; G137-E139 VanDerWaalsContact O-N 3.07Å; E139-V143 VanDerWaalsContact O-CG2 3.3Å; E139-V143 WeakPolarHBondContact O-CG2 3.07Å; E139-V143 PolarHBondContact O-N 3.16Å |
| 140 | S | 89.4 | Confident | 93 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -78.6 | -32.4 | 178.6 | 64.4 | 0 | 0 | 0 | 0 | 112 | G135 G137 I138 V143 F144 | G135-S140 WeakPolarHBondContact O-CB 3.48Å; G135-S140 PolarHBondContact O-OG 2.98Å; G137-S140 PolarHBondContact O-N 3.2Å; G137-S140 PolarHBondContact O-OG 3.04Å; G137-S140 VanDerWaalsContact O-OG 3.05Å; I138-S140 PolarHBondContact O-N 3.4Å; S140-V143 PolarHBondContact O-N 3.33Å; S140-F144 WeakPolarHBondContact O-CB 3.27Å; S140-F144 PolarHBondContact O-N 3.2Å |
| 141 | E | 89.5 | Confident | 93 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 35% | 0.346 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 171.4 | -74.4 | 168.4 | -135.5 | 0 | 0 | 111.6 | G137 I138 V143 F144 K145 A179 | G137-E141 WeakPolarHBondContact O-CG 3.42Å; G137-E141 PolarHBondContact O-N 3.24Å; I138-E141 PolarHBondContact O-N 3.25Å; E141-V143 PolarHBondContact O-N 2.99Å; E141-F144 PolarHBondContact O-N 3.45Å; E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 PolarHBondContact O-N 3.43Å; E141-A179 WeakPolarHBondContact CG-O 3.47Å |
| 142 | E | 93.9 | Very high | 93.1 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.3 | -77.7 | 179.3 | 167.2 | 0 | 0 | 112.1 | R101 I138 T146 | R101-E142 IonicContact CZ-OE2 3.07Å; R101-E142 IonicContact NE-OE2 3.59Å; R101-E142 IonicContact NH2-OE2 3.57Å; R101-E142 PolarHBondContact NH2-OE2 2.83Å; I138-E142 HydrophobicContact CG2-CG 4.34Å; I138-E142 WeakPolarHBondContact O-CB 3.34Å; I138-E142 WeakPolarHBondContact O-CG 3.41Å; I138-E142 PolarHBondContact O-N 3.3Å; E142-T146 PolarHBondContact O-N 2.87Å; E142-T146 PolarHBondContact O-OG1 3.38Å; E142-T146 VanDerWaalsContact O-OG1 3.06Å |
| 143 | V | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -51.4 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | T105 L130 L134 E139 S140 E141 T146 L147 | T105-V143 HydrophobicContact CG2-CG1 4.31Å; T105-V143 WeakPolarHBondContact OG1-CG2 3.29Å; L130-V143 HydrophobicContact CD2-CG1 3.71Å; L130-V143 HydrophobicContact CD2-CG2 4.11Å; L130-V143 HydrophobicContact CG-CG1 4.26Å; L130-V143 HydrophobicContact CG-CG2 4.49Å; L134-V143 HydrophobicContact CD1-CG2 3.86Å; E139-V143 VanDerWaalsContact O-CG2 3.3Å; E139-V143 WeakPolarHBondContact O-CG2 3.07Å; E139-V143 PolarHBondContact O-N 3.16Å; S140-V143 PolarHBondContact O-N 3.33Å; E141-V143 PolarHBondContact O-N 2.99Å; V143-T146 WeakPolarHBondContact O-CB 3.48Å; V143-T146 PolarHBondContact O-N 2.88Å; V143-L147 HydrophobicContact CG1-CD1 3.88Å; V143-L147 WeakPolarHBondContact O-CG 3.39Å; V143-L147 PolarHBondContact O-N 2.67Å; V143-L147 VanDerWaalsContact O-N 3.15Å |
| 144 | F | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -37.9 | -173.7 | -172.1 | -128.8 | 0 | 0 | 0 | 112.4 | S140 E141 T146 L147 K148 F151 L172 C175 T176 A179 E180 | S140-F144 WeakPolarHBondContact O-CB 3.27Å; S140-F144 PolarHBondContact O-N 3.2Å; E141-F144 PolarHBondContact O-N 3.45Å; F144-T146 PolarHBondContact O-N 3.41Å; F144-L147 PolarHBondContact O-N 2.87Å; F144-L147 VanDerWaalsContact O-N 3.09Å; F144-K148 HydrophobicContact CD1-CB 4.4Å; F144-K148 HydrophobicContact CD1-CD 4.29Å; F144-K148 HydrophobicContact CD2-CB 4.04Å; F144-K148 HydrophobicContact CE1-CB 4.13Å; F144-K148 HydrophobicContact CE1-CD 3.64Å; F144-K148 HydrophobicContact CE1-CG 4.01Å; F144-K148 HydrophobicContact CE2-CB 3.74Å; F144-K148 HydrophobicContact CE2-CG 4.11Å; F144-K148 HydrophobicContact CG-CB 4.36Å; F144-K148 HydrophobicContact CZ-CB 3.79Å; F144-K148 HydrophobicContact CZ-CD 3.83Å; F144-K148 HydrophobicContact CZ-CG 3.67Å; F144-K148 WeakPolarHBondContact O-CB 3.38Å; F144-K148 PolarHBondContact O-N 3Å; F144-F151 HydrophobicContact CE2-CD2 4.3Å; F144-L172 HydrophobicContact CE2-CD1 3.92Å; F144-L172 HydrophobicContact CZ-CD1 3.73Å; F144-C175 HydrophobicContact CD2-CB 3.43Å; F144-C175 VanDerWaalsContact CD2-CB 3.43Å; F144-C175 HydrophobicContact CE2-CB 3.36Å; F144-C175 HydrophobicContact CG-CB 4.24Å; F144-C175 HydrophobicContact CZ-CB 4.12Å; F144-T176 VanDerWaalsContact CZ-OG1 3.25Å; F144-T176 WeakPolarHBondContact CZ-OG1 3.47Å; F144-A179 HydrophobicContact CB-CB 3.76Å; F144-A179 HydrophobicContact CD1-CB 4.29Å; F144-A179 HydrophobicContact CG-CB 4.21Å; F144-E180 HydrophobicContact CD1-CB 4.46Å; F144-E180 HydrophobicContact CE1-CB 4.19Å |
| 145 | K | 97 | Very high | 93.5 | Very high | 170 Ų | 170 | 44.7 Ų | 44.7 | 74% | 0.739 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -55.9 | -35.3 | 173.6 | -175.1 | 174.2 | -175.7 | 171.4 | 0 | 112.5 | E141 P149 | E141-K145 WeakPolarHBondContact O-CB 3.37Å; E141-K145 PolarHBondContact O-N 3.43Å; K145-P149 VanDerWaalsContact O-CD 3.29Å; K145-P149 WeakPolarHBondContact O-CD 3.44Å |
| 146 | T | 97.9 | Very high | 93.9 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.9 | -42.6 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | T105 E109 E142 V143 F144 | T105-T146 HydrophobicContact CG2-CG2 4.07Å; E109-T146 WeakPolarHBondContact OE2-CG2 3.29Å; E142-T146 PolarHBondContact O-N 2.87Å; E142-T146 PolarHBondContact O-OG1 3.38Å; E142-T146 VanDerWaalsContact O-OG1 3.06Å; V143-T146 WeakPolarHBondContact O-CB 3.48Å; V143-T146 PolarHBondContact O-N 2.88Å; F144-T146 PolarHBondContact O-N 3.41Å |
| 147 | L | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -88.3 | -31.9 | -171.7 | -60.1 | -178.6 | 0 | 0 | 0 | 114.3 | T105 I108 E109 L112 A127 V143 F144 I150 F151 | T105-L147 HydrophobicContact CG2-CD1 4.48Å; T105-L147 HydrophobicContact CG2-CD2 4.2Å; T105-L147 HydrophobicContact CG2-CG 4.19Å; I108-L147 HydrophobicContact CB-CD1 4.44Å; I108-L147 HydrophobicContact CB-CD2 4.39Å; I108-L147 HydrophobicContact CG2-CD1 3.73Å; I108-L147 HydrophobicContact CG2-CD2 3.86Å; I108-L147 HydrophobicContact CG2-CG 4.46Å; E109-L147 HydrophobicContact CB-CD2 3.94Å; L112-L147 HydrophobicContact CD1-CD2 4.14Å; A127-L147 HydrophobicContact CB-CD1 3.66Å; V143-L147 HydrophobicContact CG1-CD1 3.88Å; V143-L147 WeakPolarHBondContact O-CG 3.39Å; V143-L147 PolarHBondContact O-N 2.67Å; V143-L147 VanDerWaalsContact O-N 3.15Å; F144-L147 PolarHBondContact O-N 2.87Å; F144-L147 VanDerWaalsContact O-N 3.09Å; L147-I150 HydrophobicContact CD2-CD1 4.35Å; L147-I150 WeakPolarHBondContact O-CA 3.32Å; L147-I150 WeakPolarHBondContact O-CB 3.48Å; L147-I150 PolarHBondContact O-N 2.94Å; L147-F151 HydrophobicContact CB-CE2 4.37Å; L147-F151 HydrophobicContact CB-CZ 4.45Å; L147-F151 PolarHBondContact O-N 3.37Å |
| 148 | K | 98.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.7 | -45.9 | -176.4 | -178.4 | -173.7 | -169.3 | -178.1 | 0 | 113.1 | F144 I150 F151 K152 L172 E180 D185 T189 | F144-K148 HydrophobicContact CD1-CB 4.4Å; F144-K148 HydrophobicContact CD1-CD 4.29Å; F144-K148 HydrophobicContact CD2-CB 4.04Å; F144-K148 HydrophobicContact CE1-CB 4.13Å; F144-K148 HydrophobicContact CE1-CD 3.64Å; F144-K148 HydrophobicContact CE1-CG 4.01Å; F144-K148 HydrophobicContact CE2-CB 3.74Å; F144-K148 HydrophobicContact CE2-CG 4.11Å; F144-K148 HydrophobicContact CG-CB 4.36Å; F144-K148 HydrophobicContact CZ-CB 3.79Å; F144-K148 HydrophobicContact CZ-CD 3.83Å; F144-K148 HydrophobicContact CZ-CG 3.67Å; F144-K148 WeakPolarHBondContact O-CB 3.38Å; F144-K148 PolarHBondContact O-N 3Å; K148-I150 VanDerWaalsContact C-N 3.27Å; K148-I150 PolarHBondContact O-N 3.44Å; K148-F151 PolarHBondContact O-N 2.89Å; K148-K152 PolarHBondContact O-N 3.48Å; K148-L172 HydrophobicContact CG-CD1 4.17Å; K148-E180 IonicContact NZ-OE2 2.79Å; K148-E180 PolarHBondContact NZ-OE2 3.49Å; K148-D185 VanDerWaalsContact NZ-CB 3.26Å; K148-D185 PolarHBondContact NZ-O 3.45Å; K148-D185 IonicContact NZ-OD1 3.42Å; K148-D185 PolarHBondContact NZ-OD1 3.22Å; K148-D185 IonicContact NZ-OD2 2.62Å; K148-T189 VanDerWaalsContact CE-OG1 3.29Å; K148-T189 WeakPolarHBondContact CE-OG1 3.49Å |
| 149 | P | 98.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 48.5 Ų | 48.5 | 44% | 0.442 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 177.2 | -22.3 | 34.4 | 0 | 0 | 0 | 112.5 | K145 N153 | K145-P149 VanDerWaalsContact O-CD 3.29Å; K145-P149 WeakPolarHBondContact O-CD 3.44Å; P149-N153 WeakPolarHBondContact O-CB 3.36Å; P149-N153 PolarHBondContact O-N 3.11Å; P149-N153 PolarHBondContact O-ND2 3.27Å |
| 150 | I | 98.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 179 | -51.1 | 168.4 | 0 | 0 | 0 | 109.9 | E109 L112 K113 L147 K148 N153 I154 | E109-I150 HydrophobicContact CB-CD1 4.07Å; E109-I150 HydrophobicContact CG-CD1 3.63Å; L112-I150 HydrophobicContact CB-CG2 3.77Å; L112-I150 HydrophobicContact CD1-CG2 4.44Å; K113-I150 HydrophobicContact CD-CD1 4.28Å; K113-I150 HydrophobicContact CG-CD1 4.16Å; K113-I150 HydrophobicContact CG-CG1 4.46Å; K113-I150 HydrophobicContact CG-CG2 4.13Å; L147-I150 HydrophobicContact CD2-CD1 4.35Å; L147-I150 WeakPolarHBondContact O-CA 3.32Å; L147-I150 WeakPolarHBondContact O-CB 3.48Å; L147-I150 PolarHBondContact O-N 2.94Å; K148-I150 VanDerWaalsContact C-N 3.27Å; K148-I150 PolarHBondContact O-N 3.44Å; I150-N153 PolarHBondContact O-N 2.92Å; I150-I154 HydrophobicContact CG2-CD1 3.97Å; I150-I154 HydrophobicContact CG2-CG1 4.49Å; I150-I154 WeakPolarHBondContact O-CG1 3.47Å; I150-I154 PolarHBondContact O-N 3.02Å |
| 151 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -51.2 | 173.1 | -71.9 | -15.8 | 0 | 0 | 0 | 111.9 | L112 A124 A127 F144 L147 K148 N153 I154 L155 V168 L172 | L112-F151 HydrophobicContact CD1-CD1 4.01Å; L112-F151 HydrophobicContact CD1-CE1 3.41Å; L112-F151 VanDerWaalsContact CD1-CE1 3.41Å; L112-F151 HydrophobicContact CD1-CZ 4.23Å; L112-F151 HydrophobicContact CD2-CD1 4.42Å; L112-F151 HydrophobicContact CD2-CE1 3.9Å; L112-F151 HydrophobicContact CG-CE1 4.31Å; A124-F151 HydrophobicContact CB-CE1 4.1Å; A124-F151 HydrophobicContact CB-CZ 4.46Å; A127-F151 HydrophobicContact CB-CE2 4.3Å; A127-F151 HydrophobicContact CB-CZ 3.69Å; F144-F151 HydrophobicContact CE2-CD2 4.3Å; L147-F151 HydrophobicContact CB-CE2 4.37Å; L147-F151 HydrophobicContact CB-CZ 4.45Å; L147-F151 PolarHBondContact O-N 3.37Å; K148-F151 PolarHBondContact O-N 2.89Å; F151-N153 VanDerWaalsContact C-N 3.28Å; F151-N153 PolarHBondContact O-N 3.19Å; F151-I154 PolarHBondContact O-N 2.96Å; F151-L155 WeakPolarHBondContact O-CB 3.48Å; F151-L155 PolarHBondContact O-N 3.49Å; F151-V168 HydrophobicContact CB-CG1 3.66Å; F151-V168 HydrophobicContact CD1-CG1 3.93Å; F151-V168 HydrophobicContact CD1-CG2 4.01Å; F151-V168 HydrophobicContact CE1-CG2 4.38Å; F151-V168 HydrophobicContact CG-CG1 3.98Å; F151-V168 VanDerWaalsContact O-CG1 3.27Å; F151-V168 WeakPolarHBondContact O-CG1 3.43Å; F151-L172 HydrophobicContact CB-CB 4.31Å; F151-L172 HydrophobicContact CB-CD1 4.06Å; F151-L172 HydrophobicContact CD2-CB 4.21Å; F151-L172 HydrophobicContact CD2-CD1 4.13Å |
| 152 | K | 98 | Very high | 96.4 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 177.5 | -72.6 | -169.1 | 175 | -171.6 | 0 | 111.7 | K148 L155 A156 L172 A188 T189 | K148-K152 PolarHBondContact O-N 3.48Å; K152-L155 PolarHBondContact O-N 3.42Å; K152-A156 VanDerWaalsContact O-CB 3.28Å; K152-A156 WeakPolarHBondContact O-CB 3.31Å; K152-A156 PolarHBondContact O-N 3.16Å; K152-L172 HydrophobicContact CG-CD2 4.21Å; K152-A188 PolarHBondContact NZ-O 3.39Å; K152-T189 WeakPolarHBondContact CE-OG1 3.23Å; K152-T189 PolarHBondContact NZ-OG1 3.12Å |
| 153 | N | 97.6 | Very high | 96.5 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.8 | -49.7 | 177.5 | -72.3 | -20.3 | 0 | 0 | 0 | 112.9 | P149 I150 F151 L155 A156 D157 | P149-N153 WeakPolarHBondContact O-CB 3.36Å; P149-N153 PolarHBondContact O-N 3.11Å; P149-N153 PolarHBondContact O-ND2 3.27Å; I150-N153 PolarHBondContact O-N 2.92Å; F151-N153 VanDerWaalsContact C-N 3.28Å; F151-N153 PolarHBondContact O-N 3.19Å; N153-L155 VanDerWaalsContact C-N 3.29Å; N153-L155 PolarHBondContact O-N 2.87Å; N153-A156 PolarHBondContact O-N 3.48Å; N153-D157 WeakPolarHBondContact O-CB 3.46Å; N153-D157 PolarHBondContact O-N 3.3Å |
| 154 | I | 97.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.072 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.8 | -67.7 | 169.3 | 0 | 0 | 0 | 110.1 | L112 I150 F151 A156 D157 A160 R165 V168 | L112-I154 HydrophobicContact CB-CD1 4.24Å; L112-I154 HydrophobicContact CD2-CD1 4.21Å; I150-I154 HydrophobicContact CG2-CD1 3.97Å; I150-I154 HydrophobicContact CG2-CG1 4.49Å; I150-I154 WeakPolarHBondContact O-CG1 3.47Å; I150-I154 PolarHBondContact O-N 3.02Å; F151-I154 PolarHBondContact O-N 2.96Å; I154-A156 PolarHBondContact O-N 2.97Å; I154-D157 PolarHBondContact O-N 3.49Å; I154-A160 HydrophobicContact CG2-CB 4.43Å; I154-R165 HydrophobicContact CG2-CG 4.25Å; I154-R165 WeakPolarHBondContact O-CG 3.42Å; I154-V168 HydrophobicContact CB-CG2 4.34Å; I154-V168 HydrophobicContact CD1-CG2 4.34Å; I154-V168 HydrophobicContact CG2-CB 4.4Å; I154-V168 HydrophobicContact CG2-CG2 3.95Å |
| 155 | L | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | -177.5 | -171.6 | 61.9 | 0 | 0 | 0 | 112 | F151 K152 N153 R165 V168 A169 L172 F193 L196 L218 | F151-L155 WeakPolarHBondContact O-CB 3.48Å; F151-L155 PolarHBondContact O-N 3.49Å; K152-L155 PolarHBondContact O-N 3.42Å; N153-L155 VanDerWaalsContact C-N 3.29Å; N153-L155 PolarHBondContact O-N 2.87Å; L155-R165 PolarHBondContact O-NE 3.26Å; L155-R165 VanDerWaalsContact O-NE 3.09Å; L155-R165 PolarHBondContact O-NH2 2.95Å; L155-V168 HydrophobicContact CB-CG1 4.11Å; L155-A169 HydrophobicContact CD1-CB 3.81Å; L155-L172 HydrophobicContact CD2-CD2 3.85Å; L155-F193 HydrophobicContact CD2-CD1 4.17Å; L155-F193 HydrophobicContact CD2-CE1 3.94Å; L155-L196 HydrophobicContact CD1-CD1 3.56Å; L155-L196 HydrophobicContact CD2-CD1 3.88Å; L155-L196 HydrophobicContact CG-CD1 3.68Å; L155-L218 HydrophobicContact CD1-CD1 4.01Å |
| 156 | A | 95.4 | Very high | 96.6 | Very high | 79 Ų | 79 | 42 Ų | 42 | 65% | 0.653 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -76.7 | -27.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K152 N153 I154 G158 | K152-A156 VanDerWaalsContact O-CB 3.28Å; K152-A156 WeakPolarHBondContact O-CB 3.31Å; K152-A156 PolarHBondContact O-N 3.16Å; N153-A156 PolarHBondContact O-N 3.48Å; I154-A156 PolarHBondContact O-N 2.97Å; A156-G158 PolarHBondContact O-N 3.13Å; A156-G158 VanDerWaalsContact O-N 3.1Å |
| 157 | D | 94.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | trans | -69.6 | 105.3 | -179.7 | -178.5 | 4 | 0 | 0 | 0 | 111.8 | N153 I154 S159 A160 R165 | N153-D157 WeakPolarHBondContact O-CB 3.46Å; N153-D157 PolarHBondContact O-N 3.3Å; I154-D157 PolarHBondContact O-N 3.49Å; D157-S159 PolarHBondContact O-N 2.93Å; D157-S159 WeakPolarHBondContact OD1-CA 3.39Å; D157-S159 WeakPolarHBondContact OD1-CB 3.14Å; D157-S159 PolarHBondContact OD1-N 2.99Å; D157-S159 PolarHBondContact OD1-OG 3.12Å; D157-S159 PolarHBondContact OD2-OG 2.93Å; D157-A160 HydrophobicContact CB-CB 3.93Å; D157-A160 WeakPolarHBondContact O-CB 3.29Å; D157-A160 PolarHBondContact O-N 3.43Å; D157-A160 PolarHBondContact OD1-N 3.26Å; D157-R165 VanDerWaalsContact O-CD 3.31Å; D157-R165 WeakPolarHBondContact O-CD 3.39Å; D157-R165 PolarHBondContact O-NE 3.34Å | ||
| 158 | G | 92.1 | Very high | 96.6 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 65% | 0.649 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A156 | A156-G158 PolarHBondContact O-N 3.13Å; A156-G158 VanDerWaalsContact O-N 3.1Å |
| 159 | S | 93.2 | Very high | 96.6 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -13.2 | 178.8 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | D157 | D157-S159 PolarHBondContact O-N 2.93Å; D157-S159 WeakPolarHBondContact OD1-CA 3.39Å; D157-S159 WeakPolarHBondContact OD1-CB 3.14Å; D157-S159 PolarHBondContact OD1-N 2.99Å; D157-S159 PolarHBondContact OD1-OG 3.12Å; D157-S159 PolarHBondContact OD2-OG 2.93Å |
| 160 | A | 94.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -65.2 | 154.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I154 D157 I162 R165 | I154-A160 HydrophobicContact CG2-CB 4.43Å; D157-A160 HydrophobicContact CB-CB 3.93Å; D157-A160 WeakPolarHBondContact O-CB 3.29Å; D157-A160 PolarHBondContact O-N 3.43Å; D157-A160 PolarHBondContact OD1-N 3.26Å; A160-I162 PolarHBondContact O-N 2.86Å; A160-R165 HydrophobicContact CB-CG 4.02Å |
| 161 | N | 95.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | trans | -56.4 | 128.3 | 179.4 | 172.9 | -88.5 | 0 | 0 | 0 | 111.1 | Q163 A164 R165 | N161-Q163 VanDerWaalsContact C-N 3.32Å; N161-Q163 PolarHBondContact ND2-OE1 3.29Å; N161-Q163 PolarHBondContact O-N 3.27Å; N161-Q163 WeakPolarHBondContact OD1-CA 3.3Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.39Å; N161-Q163 PolarHBondContact OD1-N 3.09Å; N161-Q163 PolarHBondContact OD1-OE1 2.98Å; N161-A164 HydrophobicContact CB-CB 4.13Å; N161-A164 WeakPolarHBondContact O-CB 3.32Å; N161-A164 PolarHBondContact O-N 3.31Å; N161-A164 VanDerWaalsContact O-N 3.13Å; N161-A164 PolarHBondContact OD1-N 3.03Å; N161-R165 WeakPolarHBondContact O-CG 3.34Å; N161-R165 PolarHBondContact O-N 2.85Å | ||
| 162 | I | 96.3 | Very high | 96.7 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -36.7 | -173.4 | -170 | 57.5 | 0 | 0 | 0 | 113 | A160 R165 Q166 Q214 M215 L218 | A160-I162 PolarHBondContact O-N 2.86Å; I162-R165 PolarHBondContact O-N 3.38Å; I162-Q166 VanDerWaalsContact O-CG 3.23Å; I162-Q166 WeakPolarHBondContact O-CG 3.26Å; I162-Q166 PolarHBondContact O-N 3.16Å; I162-Q214 HydrophobicContact CG1-CB 3.81Å; I162-Q214 HydrophobicContact CG2-CB 4.05Å; I162-Q214 HydrophobicContact CG2-CG 4.44Å; I162-M215 HydrophobicContact CD1-CE 4.07Å; I162-M215 HydrophobicContact CD1-SD 4.23Å; I162-L218 HydrophobicContact CD1-CB 4.03Å; I162-L218 HydrophobicContact CD1-CD2 3.86Å |
| 163 | Q | 95.9 | Very high | 96.7 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71 | -32.4 | 178 | -59.7 | 103.8 | -25.9 | 0 | 0 | 112.4 | R121 N161 A167 | R121-Q163 VanDerWaalsContact NH2-CB 3.31Å; N161-Q163 VanDerWaalsContact C-N 3.32Å; N161-Q163 PolarHBondContact ND2-OE1 3.29Å; N161-Q163 PolarHBondContact O-N 3.27Å; N161-Q163 WeakPolarHBondContact OD1-CA 3.3Å; N161-Q163 WeakPolarHBondContact OD1-CB 3.39Å; N161-Q163 PolarHBondContact OD1-N 3.09Å; N161-Q163 PolarHBondContact OD1-OE1 2.98Å; Q163-A167 PolarHBondContact O-N 2.94Å; Q163-A167 VanDerWaalsContact O-N 3.12Å |
| 164 | A | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q120 N161 Q166 A167 V168 | Q120-A164 HydrophobicContact CB-CB 3.85Å; N161-A164 HydrophobicContact CB-CB 4.13Å; N161-A164 WeakPolarHBondContact O-CB 3.32Å; N161-A164 PolarHBondContact O-N 3.31Å; N161-A164 VanDerWaalsContact O-N 3.13Å; N161-A164 PolarHBondContact OD1-N 3.03Å; A164-Q166 VanDerWaalsContact C-N 3.34Å; A164-Q166 PolarHBondContact O-N 2.83Å; A164-A167 PolarHBondContact O-N 3.01Å; A164-V168 WeakPolarHBondContact O-CB 3.46Å; A164-V168 VanDerWaalsContact O-CG2 3.32Å; A164-V168 WeakPolarHBondContact O-CG2 3.4Å; A164-V168 PolarHBondContact O-N 3.18Å |
| 165 | R | 97.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 175.1 | -65.7 | 179.7 | 71.5 | -157.1 | -3.9 | 112.1 | I154 L155 D157 A160 N161 I162 V168 A169 L218 | I154-R165 HydrophobicContact CG2-CG 4.25Å; I154-R165 WeakPolarHBondContact O-CG 3.42Å; L155-R165 PolarHBondContact O-NE 3.26Å; L155-R165 VanDerWaalsContact O-NE 3.09Å; L155-R165 PolarHBondContact O-NH2 2.95Å; D157-R165 VanDerWaalsContact O-CD 3.31Å; D157-R165 WeakPolarHBondContact O-CD 3.39Å; D157-R165 PolarHBondContact O-NE 3.34Å; A160-R165 HydrophobicContact CB-CG 4.02Å; N161-R165 WeakPolarHBondContact O-CG 3.34Å; N161-R165 PolarHBondContact O-N 2.85Å; I162-R165 PolarHBondContact O-N 3.38Å; R165-V168 PolarHBondContact O-N 3.09Å; R165-A169 WeakPolarHBondContact O-CB 3.47Å; R165-A169 PolarHBondContact O-N 3.33Å; R165-L218 HydrophobicContact CB-CD1 4.01Å; R165-L218 HydrophobicContact CB-CD2 4.17Å; R165-L218 WeakPolarHBondContact O-CD1 3.39Å |
| 166 | Q | 98.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.1 | -75.3 | 166.1 | -3.7 | 0 | 0 | 112.1 | I162 A164 A169 T170 Q214 Q217 L218 N221 | I162-Q166 VanDerWaalsContact O-CG 3.23Å; I162-Q166 WeakPolarHBondContact O-CG 3.26Å; I162-Q166 PolarHBondContact O-N 3.16Å; A164-Q166 VanDerWaalsContact C-N 3.34Å; A164-Q166 PolarHBondContact O-N 2.83Å; Q166-A169 PolarHBondContact O-N 3.22Å; Q166-T170 PolarHBondContact O-N 3.19Å; Q166-Q214 PolarHBondContact NE2-O 2.95Å; Q166-Q217 HydrophobicContact CG-CG 4.5Å; Q166-L218 HydrophobicContact CG-CB 3.96Å; Q166-L218 HydrophobicContact CG-CD1 4.37Å; Q166-N221 PolarHBondContact O-ND2 2.75Å |
| 167 | A | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 7% | 0.066 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R121 A124 Q163 A164 A169 T170 S171 | R121-A167 HydrophobicContact CB-CB 3.75Å; R121-A167 HydrophobicContact CG-CB 3.6Å; A124-A167 HydrophobicContact CB-CB 4.38Å; Q163-A167 PolarHBondContact O-N 2.94Å; Q163-A167 VanDerWaalsContact O-N 3.12Å; A164-A167 PolarHBondContact O-N 3.01Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A167-T170 PolarHBondContact O-OG1 3.06Å; A167-T170 VanDerWaalsContact O-OG1 3.11Å; A167-S171 VanDerWaalsContact O-CB 3.26Å; A167-S171 WeakPolarHBondContact O-CB 3.38Å; A167-S171 PolarHBondContact O-N 2.85Å; A167-S171 PolarHBondContact O-OG 3.19Å |
| 168 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.2 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | A124 F151 I154 L155 A164 R165 S171 L172 | A124-V168 HydrophobicContact CB-CG2 4.07Å; F151-V168 HydrophobicContact CB-CG1 3.66Å; F151-V168 HydrophobicContact CD1-CG1 3.93Å; F151-V168 HydrophobicContact CD1-CG2 4.01Å; F151-V168 HydrophobicContact CE1-CG2 4.38Å; F151-V168 HydrophobicContact CG-CG1 3.98Å; F151-V168 VanDerWaalsContact O-CG1 3.27Å; F151-V168 WeakPolarHBondContact O-CG1 3.43Å; I154-V168 HydrophobicContact CB-CG2 4.34Å; I154-V168 HydrophobicContact CD1-CG2 4.34Å; I154-V168 HydrophobicContact CG2-CB 4.4Å; I154-V168 HydrophobicContact CG2-CG2 3.95Å; L155-V168 HydrophobicContact CB-CG1 4.11Å; A164-V168 WeakPolarHBondContact O-CB 3.46Å; A164-V168 VanDerWaalsContact O-CG2 3.32Å; A164-V168 WeakPolarHBondContact O-CG2 3.4Å; A164-V168 PolarHBondContact O-N 3.18Å; R165-V168 PolarHBondContact O-N 3.09Å; V168-S171 PolarHBondContact O-N 3.03Å; V168-L172 WeakPolarHBondContact O-CB 3.41Å; V168-L172 PolarHBondContact O-N 3.13Å |
| 169 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L155 R165 Q166 A167 G173 F193 L218 N221 S225 | L155-A169 HydrophobicContact CD1-CB 3.81Å; R165-A169 WeakPolarHBondContact O-CB 3.47Å; R165-A169 PolarHBondContact O-N 3.33Å; Q166-A169 PolarHBondContact O-N 3.22Å; A167-A169 VanDerWaalsContact C-N 3.32Å; A169-G173 PolarHBondContact O-N 3.26Å; A169-F193 HydrophobicContact CB-CE1 4.43Å; A169-F193 VanDerWaalsContact O-CE1 3.31Å; A169-F193 WeakPolarHBondContact O-CE1 3.48Å; A169-F193 WeakPolarHBondContact O-CZ 3.49Å; A169-L218 HydrophobicContact CB-CD1 3.93Å; A169-N221 HydrophobicContact CB-CB 3.99Å; A169-S225 PolarHBondContact O-OG 3.36Å; A169-S225 VanDerWaalsContact O-OG 3.1Å |
| 170 | T | 98.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 15.8 Ų | 15.8 | 7% | 0.074 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | Q166 A167 G173 L174 N221 S225 | Q166-T170 PolarHBondContact O-N 3.19Å; A167-T170 PolarHBondContact O-OG1 3.06Å; A167-T170 VanDerWaalsContact O-OG1 3.11Å; T170-G173 PolarHBondContact O-N 3.33Å; T170-L174 PolarHBondContact O-N 3.03Å; T170-L174 VanDerWaalsContact O-N 3.12Å; T170-N221 HydrophobicContact CG2-CB 3.69Å; T170-S225 WeakPolarHBondContact CA-OG 3.4Å |
| 171 | S | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | -177.6 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | A124 C128 A167 V168 G173 L174 C175 | A124-S171 VanDerWaalsContact C-OG 3.31Å; A124-S171 PolarHBondContact O-OG 2.91Å; C128-S171 WeakPolarHBondContact SG-CA 3.5Å; C128-S171 WeakPolarHBondContact SG-CB 3.47Å; A167-S171 VanDerWaalsContact O-CB 3.26Å; A167-S171 WeakPolarHBondContact O-CB 3.38Å; A167-S171 PolarHBondContact O-N 2.85Å; A167-S171 PolarHBondContact O-OG 3.19Å; V168-S171 PolarHBondContact O-N 3.03Å; S171-G173 VanDerWaalsContact C-N 3.31Å; S171-G173 PolarHBondContact O-N 3.29Å; S171-L174 PolarHBondContact O-N 3.18Å; S171-C175 VanDerWaalsContact O-CB 3.32Å; S171-C175 WeakPolarHBondContact O-CB 3.46Å; S171-C175 PolarHBondContact O-N 3.05Å; S171-C175 PolarHBondContact O-SG 3.34Å; S171-C175 VanDerWaalsContact O-SG 3.35Å |
| 172 | L | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.9 | 178.3 | 61 | 0 | 0 | 0 | 111 | F144 K148 F151 K152 L155 V168 T176 T189 F193 | F144-L172 HydrophobicContact CE2-CD1 3.92Å; F144-L172 HydrophobicContact CZ-CD1 3.73Å; K148-L172 HydrophobicContact CG-CD1 4.17Å; F151-L172 HydrophobicContact CB-CB 4.31Å; F151-L172 HydrophobicContact CB-CD1 4.06Å; F151-L172 HydrophobicContact CD2-CB 4.21Å; F151-L172 HydrophobicContact CD2-CD1 4.13Å; K152-L172 HydrophobicContact CG-CD2 4.21Å; L155-L172 HydrophobicContact CD2-CD2 3.85Å; V168-L172 WeakPolarHBondContact O-CB 3.41Å; V168-L172 PolarHBondContact O-N 3.13Å; L172-T176 VanDerWaalsContact O-CB 3.29Å; L172-T176 WeakPolarHBondContact O-CB 3.44Å; L172-T176 PolarHBondContact O-N 3.35Å; L172-T176 PolarHBondContact O-OG1 2.79Å; L172-T189 HydrophobicContact CD1-CG2 4Å; L172-T189 HydrophobicContact CD2-CG2 3.84Å; L172-T189 HydrophobicContact CG-CG2 3.67Å; L172-F193 HydrophobicContact CB-CE1 4.44Å; L172-F193 HydrophobicContact CB-CZ 3.99Å; L172-F193 HydrophobicContact CD2-CE1 4.15Å; L172-F193 HydrophobicContact CD2-CZ 3.98Å; L172-F193 HydrophobicContact CG-CE1 4.47Å; L172-F193 HydrophobicContact CG-CZ 3.89Å |
| 173 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -50.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A169 T170 S171 T176 L177 | A169-G173 PolarHBondContact O-N 3.26Å; T170-G173 PolarHBondContact O-N 3.33Å; S171-G173 VanDerWaalsContact C-N 3.31Å; S171-G173 PolarHBondContact O-N 3.29Å; G173-T176 PolarHBondContact O-N 2.88Å; G173-L177 PolarHBondContact O-N 3.06Å |
| 174 | L | 98.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.4 | -44.6 | -179.5 | -175.9 | 67 | 0 | 0 | 0 | 112.4 | C128 I132 T170 S171 T176 L177 V178 L228 A354 F355 F358 | C128-L174 HydrophobicContact CB-CD2 3.84Å; I132-L174 HydrophobicContact CD1-CD2 3.78Å; I132-L174 HydrophobicContact CG1-CD2 4.32Å; T170-L174 PolarHBondContact O-N 3.03Å; T170-L174 VanDerWaalsContact O-N 3.12Å; S171-L174 PolarHBondContact O-N 3.18Å; L174-T176 PolarHBondContact O-N 3.06Å; L174-L177 HydrophobicContact CD1-CD2 4.28Å; L174-L177 WeakPolarHBondContact O-CB 3.32Å; L174-L177 PolarHBondContact O-N 3.15Å; L174-V178 HydrophobicContact CD1-CG2 4.29Å; L174-V178 HydrophobicContact CG-CG2 4.39Å; L174-V178 VanDerWaalsContact O-CG2 3.28Å; L174-V178 WeakPolarHBondContact O-CG2 3.42Å; L174-V178 PolarHBondContact O-N 3.38Å; L174-L228 HydrophobicContact CD1-CD2 4.27Å; L174-A354 HydrophobicContact CD1-CB 4.34Å; L174-F355 HydrophobicContact CD1-CD1 4.06Å; L174-F355 HydrophobicContact CD1-CE1 3.83Å; L174-F355 HydrophobicContact CD1-CZ 4.14Å; L174-F358 HydrophobicContact CB-CE2 4.1Å; L174-F358 HydrophobicContact CD2-CB 4.42Å; L174-F358 HydrophobicContact CD2-CD2 3.23Å; L174-F358 HydrophobicContact CD2-CE2 3.51Å; L174-F358 HydrophobicContact CD2-CG 3.89Å; L174-F358 HydrophobicContact CD2-CZ 4.37Å; L174-F358 HydrophobicContact CG-CD2 4.5Å; L174-F358 HydrophobicContact CG-CE2 4.44Å |
| 175 | C | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -37.1 | 175.6 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | F144 S171 V178 A179 | F144-C175 HydrophobicContact CD2-CB 3.43Å; F144-C175 VanDerWaalsContact CD2-CB 3.43Å; F144-C175 HydrophobicContact CE2-CB 3.36Å; F144-C175 HydrophobicContact CG-CB 4.24Å; F144-C175 HydrophobicContact CZ-CB 4.12Å; S171-C175 VanDerWaalsContact O-CB 3.32Å; S171-C175 WeakPolarHBondContact O-CB 3.46Å; S171-C175 PolarHBondContact O-N 3.05Å; S171-C175 PolarHBondContact O-SG 3.34Å; S171-C175 VanDerWaalsContact O-SG 3.35Å; C175-V178 PolarHBondContact O-N 3.33Å; C175-A179 WeakPolarHBondContact O-CB 3.43Å; C175-A179 PolarHBondContact O-N 3.12Å |
| 176 | T | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 175.2 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | F144 L172 G173 L174 V178 E180 V186 T189 L229 | F144-T176 VanDerWaalsContact CZ-OG1 3.25Å; F144-T176 WeakPolarHBondContact CZ-OG1 3.47Å; L172-T176 VanDerWaalsContact O-CB 3.29Å; L172-T176 WeakPolarHBondContact O-CB 3.44Å; L172-T176 PolarHBondContact O-N 3.35Å; L172-T176 PolarHBondContact O-OG1 2.79Å; G173-T176 PolarHBondContact O-N 2.88Å; L174-T176 PolarHBondContact O-N 3.06Å; T176-V178 VanDerWaalsContact C-N 3.28Å; T176-V178 PolarHBondContact O-N 3.35Å; T176-E180 HydrophobicContact CG2-CB 3.82Å; T176-E180 HydrophobicContact CG2-CG 4.26Å; T176-E180 WeakPolarHBondContact O-CB 3.31Å; T176-E180 PolarHBondContact O-N 3.04Å; T176-E180 VanDerWaalsContact O-N 3.13Å; T176-V186 HydrophobicContact CG2-CB 4.42Å; T176-V186 HydrophobicContact CG2-CG1 4.4Å; T176-V186 HydrophobicContact CG2-CG2 4.03Å; T176-T189 HydrophobicContact CG2-CG2 4.39Å; T176-L229 HydrophobicContact CG2-CD1 3.96Å; T176-L229 HydrophobicContact CG2-CD2 3.82Å |
| 177 | L | 96.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.2 | -40.5 | 175.7 | 177.4 | 72.2 | 0 | 0 | 0 | 112.5 | G173 L174 L228 L229 I232 T351 F355 | G173-L177 PolarHBondContact O-N 3.06Å; L174-L177 HydrophobicContact CD1-CD2 4.28Å; L174-L177 WeakPolarHBondContact O-CB 3.32Å; L174-L177 PolarHBondContact O-N 3.15Å; L177-L228 HydrophobicContact CB-CD2 4.31Å; L177-L228 HydrophobicContact CD2-CD1 3.81Å; L177-L228 HydrophobicContact CD2-CD2 3.98Å; L177-L228 HydrophobicContact CD2-CG 3.93Å; L177-L229 HydrophobicContact CB-CD2 4.3Å; L177-I232 HydrophobicContact CD1-CD1 4.08Å; L177-I232 HydrophobicContact CD1-CG1 4.32Å; L177-I232 HydrophobicContact CD1-CG2 3.54Å; L177-T351 HydrophobicContact CD2-CG2 4.44Å; L177-F355 HydrophobicContact CD2-CE2 4.15Å; L177-F355 HydrophobicContact CD2-CZ 4.15Å |
| 178 | V | 93.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -83 | -40.9 | -172.3 | 176.3 | 0 | 0 | 0 | 0 | 112.6 | C131 S136 L174 C175 T176 F355 F372 | C131-V178 HydrophobicContact CB-CB 4.27Å; C131-V178 HydrophobicContact CB-CG1 3.91Å; C131-V178 WeakPolarHBondContact O-CG1 3.36Å; S136-V178 WeakPolarHBondContact CA-O 3.18Å; L174-V178 HydrophobicContact CD1-CG2 4.29Å; L174-V178 HydrophobicContact CG-CG2 4.39Å; L174-V178 VanDerWaalsContact O-CG2 3.28Å; L174-V178 WeakPolarHBondContact O-CG2 3.42Å; L174-V178 PolarHBondContact O-N 3.38Å; C175-V178 PolarHBondContact O-N 3.33Å; T176-V178 VanDerWaalsContact C-N 3.28Å; T176-V178 PolarHBondContact O-N 3.35Å; V178-F355 HydrophobicContact CG2-CE1 4.04Å; V178-F355 HydrophobicContact CG2-CZ 4.21Å; V178-F372 HydrophobicContact CB-CE1 4.31Å; V178-F372 HydrophobicContact CB-CZ 4.01Å; V178-F372 HydrophobicContact CG1-CD1 4.49Å; V178-F372 HydrophobicContact CG1-CE1 3.79Å; V178-F372 HydrophobicContact CG1-CE2 4.28Å; V178-F372 HydrophobicContact CG1-CZ 3.67Å; V178-F372 HydrophobicContact CG2-CE1 3.74Å; V178-F372 HydrophobicContact CG2-CZ 3.74Å |
| 179 | A | 90.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -121.8 | -4.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E141 F144 C175 | E141-A179 WeakPolarHBondContact CG-O 3.47Å; F144-A179 HydrophobicContact CB-CB 3.76Å; F144-A179 HydrophobicContact CD1-CB 4.29Å; F144-A179 HydrophobicContact CG-CB 4.21Å; C175-A179 WeakPolarHBondContact O-CB 3.43Å; C175-A179 PolarHBondContact O-N 3.12Å |
| 180 | E | 90.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 32.4 Ų | 32.4 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | trans | -98.2 | 124.2 | 176.9 | -168 | 64.4 | -99.2 | 0 | 0 | 110.8 | F144 K148 T176 D185 V186 | F144-E180 HydrophobicContact CD1-CB 4.46Å; F144-E180 HydrophobicContact CE1-CB 4.19Å; K148-E180 IonicContact NZ-OE2 2.79Å; K148-E180 PolarHBondContact NZ-OE2 3.49Å; T176-E180 HydrophobicContact CG2-CB 3.82Å; T176-E180 HydrophobicContact CG2-CG 4.26Å; T176-E180 WeakPolarHBondContact O-CB 3.31Å; T176-E180 PolarHBondContact O-N 3.04Å; T176-E180 VanDerWaalsContact O-N 3.13Å; E180-D185 HydrophobicContact CG-CB 3.98Å; E180-V186 HydrophobicContact CB-CG2 4.07Å; E180-V186 HydrophobicContact CG-CG2 3.68Å | ||
| 181 | D | 80.4 | Confident | 93.6 | Very high | 139 Ų | 139 | 37.8 Ų | 37.8 | 74% | 0.743 | 20% | 0.198 | S | C | * | . | trans | -104.9 | -23.5 | 177.9 | -167.2 | 47 | 0 | 0 | 0 | 112.1 | I183 | D181-I183 PolarHBondContact O-N 3.46Š| ||
| 182 | D | 84.2 | Confident | 93.6 | Very high | 73 Ų | 73 | 39.4 Ų | 39.4 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | trans | -82.9 | 114.5 | 178.3 | -173.8 | -16.6 | 0 | 0 | 0 | 111.6 | L184 D185 V186 | D182-L184 PolarHBondContact O-N 2.98Å; D182-L184 WeakPolarHBondContact OD1-CB 3.44Å; D182-L184 PolarHBondContact OD1-N 2.72Å; D182-D185 HydrophobicContact CB-CB 4.08Å; D182-D185 WeakPolarHBondContact O-CA 3.47Å; D182-D185 WeakPolarHBondContact O-CB 3.49Å; D182-D185 PolarHBondContact O-N 3.29Å; D182-V186 PolarHBondContact O-N 2.83Å | ||
| 183 | I | 84.8 | Confident | 93.6 | Very high | 83 Ų | 83 | 39.4 Ų | 39.4 | 43% | 0.426 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57 | -32.3 | 179.2 | -164.4 | 160.6 | 0 | 0 | 0 | 114.1 | D181 D185 Q187 | D181-I183 PolarHBondContact O-N 3.46Å; I183-D185 VanDerWaalsContact C-N 3.31Å; I183-Q187 WeakPolarHBondContact O-CG 3.35Å; I183-Q187 PolarHBondContact O-N 3.05Å |
| 184 | L | 91.2 | Very high | 93.5 | Very high | 111 Ų | 111 | 41.4 Ų | 41.4 | 58% | 0.581 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.9 | -34.8 | 176.5 | -62.4 | 179.5 | 0 | 0 | 0 | 110.9 | D182 Q187 A188 | D182-L184 PolarHBondContact O-N 2.98Å; D182-L184 WeakPolarHBondContact OD1-CB 3.44Å; D182-L184 PolarHBondContact OD1-N 2.72Å; L184-Q187 WeakPolarHBondContact O-CB 3.23Å; L184-Q187 PolarHBondContact O-N 2.73Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 3.27Å |
| 185 | D | 91.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -76.2 | -31.1 | 179.3 | -108.7 | -43.9 | 0 | 0 | 0 | 112.4 | K148 E180 D182 I183 T189 | K148-D185 VanDerWaalsContact NZ-CB 3.26Å; K148-D185 PolarHBondContact NZ-O 3.45Å; K148-D185 IonicContact NZ-OD1 3.42Å; K148-D185 PolarHBondContact NZ-OD1 3.22Å; K148-D185 IonicContact NZ-OD2 2.62Å; E180-D185 HydrophobicContact CG-CB 3.98Å; D182-D185 HydrophobicContact CB-CB 4.08Å; D182-D185 WeakPolarHBondContact O-CA 3.47Å; D182-D185 WeakPolarHBondContact O-CB 3.49Å; D182-D185 PolarHBondContact O-N 3.29Å; I183-D185 VanDerWaalsContact C-N 3.31Å; D185-T189 PolarHBondContact O-N 2.87Å; D185-T189 PolarHBondContact O-OG1 2.84Å |
| 186 | V | 91.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -51.1 | 165.9 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | T176 E180 D182 A188 T189 M190 L229 I232 | T176-V186 HydrophobicContact CG2-CB 4.42Å; T176-V186 HydrophobicContact CG2-CG1 4.4Å; T176-V186 HydrophobicContact CG2-CG2 4.03Å; E180-V186 HydrophobicContact CB-CG2 4.07Å; E180-V186 HydrophobicContact CG-CG2 3.68Å; D182-V186 PolarHBondContact O-N 2.83Å; V186-A188 PolarHBondContact O-N 3.37Å; V186-T189 CarbonylContact O-C 3.45Å; V186-T189 WeakPolarHBondContact O-CA 3.46Å; V186-T189 WeakPolarHBondContact O-CB 3.41Å; V186-T189 PolarHBondContact O-N 3.39Å; V186-M190 HydrophobicContact CG1-SD 4.3Å; V186-M190 WeakPolarHBondContact O-CG 3.45Å; V186-M190 PolarHBondContact O-N 3.39Å; V186-L229 HydrophobicContact CG1-CB 4.41Å; V186-L229 HydrophobicContact CG1-CD1 4.4Å; V186-I232 HydrophobicContact CG1-CD1 4.23Å; V186-I232 HydrophobicContact CG2-CD1 4.46Å |
| 187 | Q | 92.9 | Very high | 93.3 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 177.8 | -75.8 | 178.7 | -39.4 | 0 | 0 | 112.6 | I183 L184 T189 M190 E191 | I183-Q187 WeakPolarHBondContact O-CG 3.35Å; I183-Q187 PolarHBondContact O-N 3.05Å; L184-Q187 WeakPolarHBondContact O-CB 3.23Å; L184-Q187 PolarHBondContact O-N 2.73Å; Q187-T189 PolarHBondContact O-N 2.9Å; Q187-T189 VanDerWaalsContact O-N 3.11Å; Q187-M190 WeakPolarHBondContact O-CA 3.47Å; Q187-M190 WeakPolarHBondContact O-CB 3.28Å; Q187-M190 PolarHBondContact O-N 3.43Å; Q187-E191 WeakPolarHBondContact O-CG 3.49Å; Q187-E191 PolarHBondContact O-N 3.1Å |
| 188 | A | 96.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -24.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K152 L184 V186 C192 | K152-A188 PolarHBondContact NZ-O 3.39Å; L184-A188 WeakPolarHBondContact O-CB 3.45Å; L184-A188 PolarHBondContact O-N 3.27Å; V186-A188 PolarHBondContact O-N 3.37Å; A188-C192 PolarHBondContact O-SG 2.96Å |
| 189 | T | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.2 | -37.3 | 174 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | K148 K152 L172 T176 D185 V186 Q187 C192 F193 L229 | K148-T189 VanDerWaalsContact CE-OG1 3.29Å; K148-T189 WeakPolarHBondContact CE-OG1 3.49Å; K152-T189 WeakPolarHBondContact CE-OG1 3.23Å; K152-T189 PolarHBondContact NZ-OG1 3.12Å; L172-T189 HydrophobicContact CD1-CG2 4Å; L172-T189 HydrophobicContact CD2-CG2 3.84Å; L172-T189 HydrophobicContact CG-CG2 3.67Å; T176-T189 HydrophobicContact CG2-CG2 4.39Å; D185-T189 PolarHBondContact O-N 2.87Å; D185-T189 PolarHBondContact O-OG1 2.84Å; V186-T189 CarbonylContact O-C 3.45Å; V186-T189 WeakPolarHBondContact O-CA 3.46Å; V186-T189 WeakPolarHBondContact O-CB 3.41Å; V186-T189 PolarHBondContact O-N 3.39Å; Q187-T189 PolarHBondContact O-N 2.9Å; Q187-T189 VanDerWaalsContact O-N 3.11Å; T189-C192 VanDerWaalsContact O-CB 3.29Å; T189-C192 WeakPolarHBondContact O-CB 3.1Å; T189-C192 PolarHBondContact O-N 2.69Å; T189-F193 HydrophobicContact CG2-CE2 3.85Å; T189-F193 HydrophobicContact CG2-CZ 4.23Å; T189-F193 WeakPolarHBondContact O-CD2 3.5Å; T189-F193 PolarHBondContact O-N 3.44Å; T189-L229 HydrophobicContact CG2-CD1 4.22Å |
| 190 | M | 97.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 170.4 | -67.9 | -179.9 | 73.2 | 0 | 0 | 112 | V186 Q187 C192 F193 E194 W226 L229 L230 | V186-M190 HydrophobicContact CG1-SD 4.3Å; V186-M190 WeakPolarHBondContact O-CG 3.45Å; V186-M190 PolarHBondContact O-N 3.39Å; Q187-M190 WeakPolarHBondContact O-CA 3.47Å; Q187-M190 WeakPolarHBondContact O-CB 3.28Å; Q187-M190 PolarHBondContact O-N 3.43Å; M190-C192 PolarHBondContact O-N 2.95Å; M190-F193 WeakPolarHBondContact O-CB 3.49Å; M190-F193 PolarHBondContact O-N 3.38Å; M190-E194 WeakPolarHBondContact O-CG 3.39Å; M190-E194 PolarHBondContact O-N 2.82Å; M190-W226 HydrophobicContact CE-CG 4.42Å; M190-L229 HydrophobicContact CE-CB 4.46Å; M190-L229 HydrophobicContact CG-CB 3.75Å; M190-L229 HydrophobicContact CG-CD1 3.69Å; M190-L229 HydrophobicContact CG-CG 4.38Å; M190-L229 HydrophobicContact SD-CB 3.95Å; M190-L230 HydrophobicContact CE-CD2 3.54Å; M190-L230 HydrophobicContact CE-CG 4.11Å |
| 191 | E | 97.1 | Very high | 93.3 | Very high | 124 Ų | 124 | 50.5 Ų | 50.5 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.8 | -35.2 | 176 | -71.7 | 177.2 | 178.9 | 0 | 0 | 112 | Q187 E194 S195 | Q187-E191 WeakPolarHBondContact O-CG 3.49Å; Q187-E191 PolarHBondContact O-N 3.1Å; E191-E194 PolarHBondContact O-N 3.26Å; E191-S195 WeakPolarHBondContact O-CB 3.26Å; E191-S195 PolarHBondContact O-N 2.91Å |
| 192 | C | 97.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 173.8 | -67.8 | 0 | 0 | 0 | 0 | 111 | A188 T189 M190 S195 | A188-C192 PolarHBondContact O-SG 2.96Å; T189-C192 VanDerWaalsContact O-CB 3.29Å; T189-C192 WeakPolarHBondContact O-CB 3.1Å; T189-C192 PolarHBondContact O-N 2.69Å; M190-C192 PolarHBondContact O-N 2.95Å; C192-S195 PolarHBondContact O-N 3.35Å; C192-S195 PolarHBondContact O-OG 3.39Å |
| 193 | F | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | 176.4 | -63.5 | -47.8 | 0 | 0 | 0 | 112.6 | L155 A169 L172 T189 M190 S195 L196 F197 A222 W226 L229 | L155-F193 HydrophobicContact CD2-CD1 4.17Å; L155-F193 HydrophobicContact CD2-CE1 3.94Å; A169-F193 HydrophobicContact CB-CE1 4.43Å; A169-F193 VanDerWaalsContact O-CE1 3.31Å; A169-F193 WeakPolarHBondContact O-CE1 3.48Å; A169-F193 WeakPolarHBondContact O-CZ 3.49Å; L172-F193 HydrophobicContact CB-CE1 4.44Å; L172-F193 HydrophobicContact CB-CZ 3.99Å; L172-F193 HydrophobicContact CD2-CE1 4.15Å; L172-F193 HydrophobicContact CD2-CZ 3.98Å; L172-F193 HydrophobicContact CG-CE1 4.47Å; L172-F193 HydrophobicContact CG-CZ 3.89Å; T189-F193 HydrophobicContact CG2-CE2 3.85Å; T189-F193 HydrophobicContact CG2-CZ 4.23Å; T189-F193 WeakPolarHBondContact O-CD2 3.5Å; T189-F193 PolarHBondContact O-N 3.44Å; M190-F193 WeakPolarHBondContact O-CB 3.49Å; M190-F193 PolarHBondContact O-N 3.38Å; F193-S195 VanDerWaalsContact C-N 3.28Å; F193-S195 PolarHBondContact O-N 3.34Å; F193-L196 WeakPolarHBondContact O-CB 3.4Å; F193-L196 PolarHBondContact O-N 3.08Å; F193-F197 HydrophobicContact CB-CD1 4.47Å; F193-F197 HydrophobicContact CB-CE1 4.43Å; F193-F197 WeakPolarHBondContact O-CD1 3.27Å; F193-F197 PolarHBondContact O-N 3.43Å; F193-F197 VanDerWaalsContact O-N 3.08Å; F193-A222 HydrophobicContact CB-CB 4.24Å; F193-A222 HydrophobicContact CD1-CB 4Å; F193-W226 HydrophobicContact CB-CB 3.87Å; F193-W226 HydrophobicContact CD2-CB 4.26Å; F193-W226 HydrophobicContact CG-CB 4.41Å; F193-L229 HydrophobicContact CD2-CD1 4.32Å; F193-L229 HydrophobicContact CE2-CD1 3.92Å |
| 194 | E | 97.3 | Very high | 92.7 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.8 | -46 | 174.8 | -71.8 | 171.1 | -160.7 | 0 | 0 | 111 | M190 E191 L196 F197 T198 W226 H245 | M190-E194 WeakPolarHBondContact O-CG 3.39Å; M190-E194 PolarHBondContact O-N 2.82Å; E191-E194 PolarHBondContact O-N 3.26Å; E194-L196 PolarHBondContact O-N 2.71Å; E194-F197 VanDerWaalsContact CA-CE1 3.41Å; E194-F197 HydrophobicContact CB-CE1 4.25Å; E194-F197 HydrophobicContact CB-CZ 4.25Å; E194-F197 HydrophobicContact CG-CE1 3.9Å; E194-F197 HydrophobicContact CG-CZ 3.75Å; E194-F197 PolarHBondContact O-N 3.14Å; E194-T198 HydrophobicContact CB-CG2 4.35Å; E194-T198 WeakPolarHBondContact O-CB 3.35Å; E194-T198 WeakPolarHBondContact O-CG2 3.43Å; E194-T198 PolarHBondContact O-N 3.09Å; E194-T198 PolarHBondContact O-OG1 3.29Å; E194-W226 PolarHBondContact OE1-NE1 3.32Å; E194-H245 IonicContact OE1-NE2 3.63Å; E194-H245 IonicContact OE2-NE2 2.74Å |
| 195 | S | 96 | Very high | 92.1 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -19 | 178.6 | 84.2 | 0 | 0 | 0 | 0 | 114.3 | E191 C192 F193 R199 | E191-S195 WeakPolarHBondContact O-CB 3.26Å; E191-S195 PolarHBondContact O-N 2.91Å; C192-S195 PolarHBondContact O-N 3.35Å; C192-S195 PolarHBondContact O-OG 3.39Å; F193-S195 VanDerWaalsContact C-N 3.28Å; F193-S195 PolarHBondContact O-N 3.34Å; S195-R199 PolarHBondContact O-NE 3.25Å |
| 196 | L | 96.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -91.7 | -64.2 | 176.7 | -59.8 | 170.6 | 0 | 0 | 0 | 111 | L155 F193 E194 T198 R199 H219 A222 | L155-L196 HydrophobicContact CD1-CD1 3.56Å; L155-L196 HydrophobicContact CD2-CD1 3.88Å; L155-L196 HydrophobicContact CG-CD1 3.68Å; F193-L196 WeakPolarHBondContact O-CB 3.4Å; F193-L196 PolarHBondContact O-N 3.08Å; E194-L196 PolarHBondContact O-N 2.71Å; L196-T198 VanDerWaalsContact C-N 3.26Å; L196-T198 PolarHBondContact O-N 2.62Å; L196-R199 VanDerWaalsContact O-CB 3.25Å; L196-R199 WeakPolarHBondContact O-CB 3.06Å; L196-R199 WeakPolarHBondContact O-CG 3.27Å; L196-R199 PolarHBondContact O-N 2.99Å; L196-R199 VanDerWaalsContact O-N 3.09Å; L196-H219 PolarHBondContact O-NE2 3.17Å; L196-A222 HydrophobicContact CB-CB 3.99Å; L196-A222 HydrophobicContact CD1-CB 3.89Å |
| 197 | F | 96.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.5 | -24.6 | -171 | 72.1 | -106.8 | 0 | 0 | 0 | 112.5 | F193 E194 R199 S200 Y201 H219 A222 L223 W226 H245 | F193-F197 HydrophobicContact CB-CD1 4.47Å; F193-F197 HydrophobicContact CB-CE1 4.43Å; F193-F197 WeakPolarHBondContact O-CD1 3.27Å; F193-F197 PolarHBondContact O-N 3.43Å; F193-F197 VanDerWaalsContact O-N 3.08Å; E194-F197 VanDerWaalsContact CA-CE1 3.41Å; E194-F197 HydrophobicContact CB-CE1 4.25Å; E194-F197 HydrophobicContact CB-CZ 4.25Å; E194-F197 HydrophobicContact CG-CE1 3.9Å; E194-F197 HydrophobicContact CG-CZ 3.75Å; E194-F197 PolarHBondContact O-N 3.14Å; F197-R199 PolarHBondContact O-N 2.92Å; F197-R199 VanDerWaalsContact O-N 3.14Å; F197-S200 VanDerWaalsContact O-CB 3.32Å; F197-S200 WeakPolarHBondContact O-CB 3.43Å; F197-S200 PolarHBondContact O-N 3.14Å; F197-Y201 HydrophobicContact CE2-CE2 4.3Å; F197-Y201 AromaticContact CE2-CZ 3.86Å; F197-Y201 WeakPolarHBondContact CE2-OH 3.36Å; F197-H219 HydrophobicContact CB-CB 4.25Å; F197-A222 HydrophobicContact CD1-CB 4.47Å; F197-L223 HydrophobicContact CB-CB 4.21Å; F197-L223 HydrophobicContact CD1-CB 4.3Å; F197-L223 HydrophobicContact CD1-CD1 4.38Å; F197-L223 HydrophobicContact CD2-CD1 4.19Å; F197-L223 HydrophobicContact CE1-CD1 4.38Å; F197-L223 HydrophobicContact CE2-CD1 4.21Å; F197-L223 HydrophobicContact CG-CB 4.23Å; F197-L223 HydrophobicContact CG-CD1 4.3Å; F197-L223 HydrophobicContact CZ-CD1 4.3Å; F197-W226 HydrophobicContact CE1-CB 3.85Å; F197-W226 AromaticContact CE1-CD2 3.91Å; F197-W226 HydrophobicContact CE1-CD2 3.91Å; F197-W226 HydrophobicContact CE1-CE3 4.33Å; F197-W226 AromaticContact CE1-CG 3.69Å; F197-W226 HydrophobicContact CE1-CG 3.69Å; F197-W226 AromaticContact CZ-CD2 3.91Å; F197-W226 HydrophobicContact CZ-CD2 3.91Å; F197-W226 HydrophobicContact CZ-CE3 4.14Å; F197-W226 HydrophobicContact CZ-CG 4.18Å; F197-H245 AromaticContact CE2-ND1 3.99Å |
| 198 | T | 94.7 | Very high | 89.8 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -63.4 | -18.3 | 174.5 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | E194 L196 S200 Y201 | E194-T198 HydrophobicContact CB-CG2 4.35Å; E194-T198 WeakPolarHBondContact O-CB 3.35Å; E194-T198 WeakPolarHBondContact O-CG2 3.43Å; E194-T198 PolarHBondContact O-N 3.09Å; E194-T198 PolarHBondContact O-OG1 3.29Å; L196-T198 VanDerWaalsContact C-N 3.26Å; L196-T198 PolarHBondContact O-N 2.62Å; T198-S200 PolarHBondContact O-N 3.05Å; T198-Y201 VanDerWaalsContact CA-CD2 3.44Å; T198-Y201 HydrophobicContact CG2-CD2 3.81Å; T198-Y201 HydrophobicContact CG2-CE2 3.49Å; T198-Y201 VanDerWaalsContact CG2-CE2 3.49Å; T198-Y201 VanDerWaalsContact O-CB 3.27Å; T198-Y201 WeakPolarHBondContact O-CB 3.34Å; T198-Y201 PolarHBondContact O-N 3.36Å |
| 199 | R | 92.6 | Very high | 89.2 | Confident | 152 Ų | 152 | 53.6 Ų | 53.6 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -70.4 | -15.4 | 172 | -56.6 | 177.3 | -171.3 | -163.6 | -0.8 | 113 | S195 L196 F197 P209 | S195-R199 PolarHBondContact O-NE 3.25Å; L196-R199 VanDerWaalsContact O-CB 3.25Å; L196-R199 WeakPolarHBondContact O-CB 3.06Å; L196-R199 WeakPolarHBondContact O-CG 3.27Å; L196-R199 PolarHBondContact O-N 2.99Å; L196-R199 VanDerWaalsContact O-N 3.09Å; F197-R199 PolarHBondContact O-N 2.92Å; F197-R199 VanDerWaalsContact O-N 3.14Å; R199-P209 WeakPolarHBondContact O-CG 3.46Å |
| 200 | S | 92.5 | Very high | 88.5 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -83.7 | -11.8 | 168.3 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | F197 T198 I211 H219 L252 | F197-S200 VanDerWaalsContact O-CB 3.32Å; F197-S200 WeakPolarHBondContact O-CB 3.43Å; F197-S200 PolarHBondContact O-N 3.14Å; T198-S200 PolarHBondContact O-N 3.05Å; S200-I211 WeakPolarHBondContact OG-CD1 3.22Å; S200-H219 PolarHBondContact OG-ND1 3.39Å; S200-L252 WeakPolarHBondContact O-CD2 3.35Å |
| 201 | Y | 90.9 | Very high | 88.2 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -66.4 | 145.5 | 176.9 | -66.3 | -33.6 | 0 | 0 | 0 | 111.1 | F197 T198 H245 R248 L249 L252 | F197-Y201 HydrophobicContact CE2-CE2 4.3Å; F197-Y201 AromaticContact CE2-CZ 3.86Å; F197-Y201 WeakPolarHBondContact CE2-OH 3.36Å; T198-Y201 VanDerWaalsContact CA-CD2 3.44Å; T198-Y201 HydrophobicContact CG2-CD2 3.81Å; T198-Y201 HydrophobicContact CG2-CE2 3.49Å; T198-Y201 VanDerWaalsContact CG2-CE2 3.49Å; T198-Y201 VanDerWaalsContact O-CB 3.27Å; T198-Y201 WeakPolarHBondContact O-CB 3.34Å; T198-Y201 PolarHBondContact O-N 3.36Å; Y201-H245 PolarHBondContact OH-ND1 2.96Å; Y201-H245 VanDerWaalsContact OH-ND1 3.12Å; Y201-R248 HydrophobicContact CD1-CB 4.24Å; Y201-R248 HydrophobicContact CD2-CB 4.16Å; Y201-R248 VanDerWaalsContact CD2-NE 3.31Å; Y201-R248 VanDerWaalsContact CD2-NH2 3.25Å; Y201-R248 HydrophobicContact CE1-CB 3.95Å; Y201-R248 HydrophobicContact CE2-CB 3.79Å; Y201-R248 HydrophobicContact CG-CB 4.34Å; Y201-L249 HydrophobicContact CE1-CD2 4.21Å; Y201-L252 HydrophobicContact CD1-CD1 4.03Å; Y201-L252 HydrophobicContact CD1-CD2 3.73Å; Y201-L252 HydrophobicContact CD1-CG 3.76Å; Y201-L252 HydrophobicContact CE1-CD1 3.61Å; Y201-L252 HydrophobicContact CE1-CD2 4.2Å; Y201-L252 HydrophobicContact CE1-CG 3.76Å |
| 202 | A | 82.6 | Confident | 88 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -57 | 141.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T207 | A202-T207 WeakPolarHBondContact CA-O 3.49Š|
| 203 | R | 79.9 | Confident | 87.9 | Confident | 160 Ų | 160 | 61.9 Ų | 61.9 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 167.1 | 176.1 | -67 | 178.3 | 179.9 | -158.6 | 0.3 | 110 | D205 G206 T207 | R203-D205 WeakPolarHBondContact CB-OD1 3.34Å; R203-D205 PolarHBondContact O-N 3.08Å; R203-D205 VanDerWaalsContact O-N 3.09Å; R203-G206 PolarHBondContact O-N 3.18Å; R203-T207 PolarHBondContact N-O 3.49Å |
| 204 | A | 74.9 | Confident | 87.8 | Confident | 117 Ų | 117 | 66.7 Ų | 66.7 | 97% | 0.967 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G206 | A204-G206 VanDerWaalsContact C-N 3.3Š|
| 205 | D | 77.1 | Confident | 87.7 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 60% | 0.599 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4 | 174.9 | 62.6 | 5.4 | 0 | 0 | 0 | 113.7 | R203 T207 | R203-D205 WeakPolarHBondContact CB-OD1 3.34Å; R203-D205 PolarHBondContact O-N 3.08Å; R203-D205 VanDerWaalsContact O-N 3.09Å; D205-T207 VanDerWaalsContact C-N 3.27Å; D205-T207 PolarHBondContact O-N 2.89Å; D205-T207 WeakPolarHBondContact OD1-CB 2.95Å; D205-T207 PolarHBondContact OD1-N 2.93Å; D205-T207 PolarHBondContact OD1-OG1 3.37Å; D205-T207 PolarHBondContact OD2-OG1 3.4Å |
| 206 | G | 72.7 | Confident | 87.7 | Confident | 57 Ų | 57 | 65 Ų | 65 | 59% | 0.588 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 80.4 | -0.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R203 A204 | R203-G206 PolarHBondContact O-N 3.18Å; A204-G206 VanDerWaalsContact C-N 3.3Å |
| 207 | T | 79.7 | Confident | 87.8 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 134.8 | 179 | 65 | 0 | 0 | 0 | 0 | 111.7 | A202 R203 D205 | A202-T207 WeakPolarHBondContact CA-O 3.49Å; R203-T207 PolarHBondContact N-O 3.49Å; D205-T207 VanDerWaalsContact C-N 3.27Å; D205-T207 PolarHBondContact O-N 2.89Å; D205-T207 WeakPolarHBondContact OD1-CB 2.95Å; D205-T207 PolarHBondContact OD1-N 2.93Å; D205-T207 PolarHBondContact OD1-OG1 3.37Å; D205-T207 PolarHBondContact OD2-OG1 3.4Å |
| 208 | C | 77.1 | Confident | 87.9 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 57% | 0.568 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 133.1 | 173 | -70.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 209 | P | 82.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -67 | 137.2 | 176 | 25.2 | -29.6 | 0 | 0 | 0 | 110.7 | R199 I211 | R199-P209 WeakPolarHBondContact O-CG 3.46Å; P209-I211 HydrophobicContact CB-CD1 4.39Å; P209-I211 HydrophobicContact CB-CG1 4.22Å; P209-I211 HydrophobicContact CG-CD1 3.96Å; P209-I211 HydrophobicContact CG-CG1 4.3Å; P209-I211 PolarHBondContact O-N 3.43Å |
| 210 | S | 84.6 | Confident | 88.4 | Confident | 132 Ų | 132 | 59 Ų | 59 | 92% | 0.923 | 36% | 0.36 | S | S | * | . | trans | -73.7 | 110.2 | 170.6 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 211 | I | 90.7 | Very high | 88.7 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | trans | -115.3 | 132 | -176.3 | -62.9 | 176.7 | 0 | 0 | 0 | 109.1 | S200 P209 M215 S216 | S200-I211 WeakPolarHBondContact OG-CD1 3.22Å; P209-I211 HydrophobicContact CB-CD1 4.39Å; P209-I211 HydrophobicContact CB-CG1 4.22Å; P209-I211 HydrophobicContact CG-CD1 3.96Å; P209-I211 HydrophobicContact CG-CG1 4.3Å; P209-I211 PolarHBondContact O-N 3.43Å; I211-M215 HydrophobicContact CG2-CB 3.69Å; I211-M215 HydrophobicContact CG2-CG 3.83Å; I211-S216 VanDerWaalsContact CG2-N 3.34Å | ||
| 212 | S | 93.9 | Very high | 89 | Confident | 59 Ų | 59 | 59 Ų | 59 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | trans | -66 | 151.9 | 175.8 | 66.8 | 0 | 0 | 0 | 0 | 111 | Q214 M215 S216 | S212-Q214 VanDerWaalsContact C-N 3.25Å; S212-Q214 PolarHBondContact O-N 3.34Å; S212-Q214 VanDerWaalsContact O-N 3.17Å; S212-M215 PolarHBondContact O-N 3.43Å; S212-M215 WeakPolarHBondContact OG-CB 3.27Å; S212-M215 PolarHBondContact OG-N 3.21Å; S212-S216 PolarHBondContact O-N 3.47Å | ||
| 213 | P | 94.9 | Very high | 89.8 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.6 | -40.3 | -179.8 | -28.5 | 35.9 | 0 | 0 | 0 | 113.7 | S216 Q217 | P213-S216 PolarHBondContact O-N 2.94Å; P213-Q217 PolarHBondContact O-N 3.45Å |
| 214 | Q | 95.6 | Very high | 90.7 | Very high | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 178.9 | -59.2 | 83.3 | -6.3 | 0 | 0 | 112.2 | I162 Q166 S212 L218 | I162-Q214 HydrophobicContact CG1-CB 3.81Å; I162-Q214 HydrophobicContact CG2-CB 4.05Å; I162-Q214 HydrophobicContact CG2-CG 4.44Å; Q166-Q214 PolarHBondContact NE2-O 2.95Å; S212-Q214 VanDerWaalsContact C-N 3.25Å; S212-Q214 PolarHBondContact O-N 3.34Å; S212-Q214 VanDerWaalsContact O-N 3.17Å; Q214-L218 PolarHBondContact O-N 3.02Å |
| 215 | M | 96.3 | Very high | 91.8 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.8 | -37.4 | 175.3 | -172.8 | 63.6 | 66.5 | 0 | 0 | 111.2 | I162 I211 S212 Q217 L218 H219 | I162-M215 HydrophobicContact CD1-CE 4.07Å; I162-M215 HydrophobicContact CD1-SD 4.23Å; I211-M215 HydrophobicContact CG2-CB 3.69Å; I211-M215 HydrophobicContact CG2-CG 3.83Å; S212-M215 PolarHBondContact O-N 3.43Å; S212-M215 WeakPolarHBondContact OG-CB 3.27Å; S212-M215 PolarHBondContact OG-N 3.21Å; M215-Q217 VanDerWaalsContact C-N 3.31Å; M215-Q217 PolarHBondContact O-N 2.79Å; M215-L218 WeakPolarHBondContact O-CB 3.32Å; M215-L218 PolarHBondContact O-N 3.03Å; M215-L218 VanDerWaalsContact O-N 3.11Å; M215-L218 HydrophobicContact SD-CB 4.49Å; M215-L218 HydrophobicContact SD-CD2 3.87Å; M215-H219 PolarHBondContact O-CD2 3.34Å; M215-H219 PolarHBondContact O-N 3.19Å |
| 216 | S | 96.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | I211 S212 P213 L218 H219 V220 D257 | I211-S216 VanDerWaalsContact CG2-N 3.34Å; S212-S216 PolarHBondContact O-N 3.47Å; P213-S216 PolarHBondContact O-N 2.94Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.11Å; S216-H219 CarbonylContact O-C 3.28Å; S216-H219 WeakPolarHBondContact O-CA 3.25Å; S216-H219 WeakPolarHBondContact O-CB 3.36Å; S216-H219 PolarHBondContact O-N 3.43Å; S216-V220 WeakPolarHBondContact O-CG2 3.44Å; S216-V220 PolarHBondContact O-N 2.84Å; S216-D257 VanDerWaalsContact CB-OD2 3.29Å; S216-D257 WeakPolarHBondContact CB-OD2 3.46Å; S216-D257 WeakPolarHBondContact OG-CB 3.16Å; S216-D257 PolarHBondContact OG-OD2 2.76Å |
| 217 | Q | 97.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 27% | 0.271 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.6 | -36.1 | 175.6 | -172.5 | 63.7 | 51.2 | 0 | 0 | 113.2 | Q166 P213 M215 V220 N221 | Q166-Q217 HydrophobicContact CG-CG 4.5Å; P213-Q217 PolarHBondContact O-N 3.45Å; M215-Q217 VanDerWaalsContact C-N 3.31Å; M215-Q217 PolarHBondContact O-N 2.79Å; Q217-V220 PolarHBondContact O-N 3.02Å; Q217-N221 PolarHBondContact NE2-OD1 2.62Å; Q217-N221 VanDerWaalsContact O-CG 3.29Å; Q217-N221 PolarHBondContact O-N 3.35Å; Q217-N221 PolarHBondContact O-OD1 2.64Å |
| 218 | L | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 172.5 | 174.5 | 63.3 | 0 | 0 | 0 | 111.2 | L155 I162 R165 Q166 A169 Q214 M215 S216 V220 N221 A222 | L155-L218 HydrophobicContact CD1-CD1 4.01Å; I162-L218 HydrophobicContact CD1-CB 4.03Å; I162-L218 HydrophobicContact CD1-CD2 3.86Å; R165-L218 HydrophobicContact CB-CD1 4.01Å; R165-L218 HydrophobicContact CB-CD2 4.17Å; R165-L218 WeakPolarHBondContact O-CD1 3.39Å; Q166-L218 HydrophobicContact CG-CB 3.96Å; Q166-L218 HydrophobicContact CG-CD1 4.37Å; A169-L218 HydrophobicContact CB-CD1 3.93Å; Q214-L218 PolarHBondContact O-N 3.02Å; M215-L218 WeakPolarHBondContact O-CB 3.32Å; M215-L218 PolarHBondContact O-N 3.03Å; M215-L218 VanDerWaalsContact O-N 3.11Å; M215-L218 HydrophobicContact SD-CB 4.49Å; M215-L218 HydrophobicContact SD-CD2 3.87Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.11Å; L218-V220 VanDerWaalsContact C-N 3.34Å; L218-N221 PolarHBondContact O-N 3.32Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 3.07Å |
| 219 | H | 98.2 | Very high | 96 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -35.9 | 177.8 | -63.4 | 178.7 | 0 | 0 | 0 | 111.8 | L196 F197 S200 M215 S216 A222 L223 M260 | L196-H219 PolarHBondContact O-NE2 3.17Å; F197-H219 HydrophobicContact CB-CB 4.25Å; S200-H219 PolarHBondContact OG-ND1 3.39Å; M215-H219 PolarHBondContact O-CD2 3.34Å; M215-H219 PolarHBondContact O-N 3.19Å; S216-H219 CarbonylContact O-C 3.28Å; S216-H219 WeakPolarHBondContact O-CA 3.25Å; S216-H219 WeakPolarHBondContact O-CB 3.36Å; S216-H219 PolarHBondContact O-N 3.43Å; H219-A222 PolarHBondContact O-N 3.13Å; H219-L223 WeakPolarHBondContact O-CB 3.21Å; H219-L223 PolarHBondContact O-N 2.94Å; H219-M260 HydrophobicContact CB-CE 3.59Å |
| 220 | V | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 171.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | S216 Q217 L218 A222 L223 L224 N259 M260 A263 | S216-V220 WeakPolarHBondContact O-CG2 3.44Å; S216-V220 PolarHBondContact O-N 2.84Å; Q217-V220 PolarHBondContact O-N 3.02Å; L218-V220 VanDerWaalsContact C-N 3.34Å; V220-A222 VanDerWaalsContact C-N 3.29Å; V220-A222 PolarHBondContact O-N 3.36Å; V220-L223 PolarHBondContact O-N 3Å; V220-L224 HydrophobicContact CG1-CD1 3.95Å; V220-L224 HydrophobicContact CG1-CG 4.39Å; V220-L224 WeakPolarHBondContact O-CG 3.21Å; V220-L224 PolarHBondContact O-N 3.17Å; V220-N259 HydrophobicContact CG1-CB 4.49Å; V220-N259 HydrophobicContact CG2-CB 4.28Å; V220-M260 HydrophobicContact CG2-CB 3.99Å; V220-M260 HydrophobicContact CG2-CE 3.71Å; V220-M260 HydrophobicContact CG2-SD 4.25Å; V220-A263 HydrophobicContact CG1-CB 4Å |
| 221 | N | 98.7 | Very high | 97.3 | Very high | 19 Ų | 19 | 25 Ų | 25 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 179.1 | -72.5 | 14.6 | 0 | 0 | 0 | 111.5 | Q166 A169 T170 Q217 L218 S225 | Q166-N221 PolarHBondContact O-ND2 2.75Å; A169-N221 HydrophobicContact CB-CB 3.99Å; T170-N221 HydrophobicContact CG2-CB 3.69Å; Q217-N221 PolarHBondContact NE2-OD1 2.62Å; Q217-N221 VanDerWaalsContact O-CG 3.29Å; Q217-N221 PolarHBondContact O-N 3.35Å; Q217-N221 PolarHBondContact O-OD1 2.64Å; L218-N221 PolarHBondContact O-N 3.32Å; N221-S225 VanDerWaalsContact O-CB 3.27Å; N221-S225 WeakPolarHBondContact O-CB 3.45Å; N221-S225 PolarHBondContact O-N 3.21Å; N221-S225 PolarHBondContact O-OG 3.14Å |
| 222 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F193 L196 F197 L218 H219 V220 S225 W226 | F193-A222 HydrophobicContact CB-CB 4.24Å; F193-A222 HydrophobicContact CD1-CB 4Å; L196-A222 HydrophobicContact CB-CB 3.99Å; L196-A222 HydrophobicContact CD1-CB 3.89Å; F197-A222 HydrophobicContact CD1-CB 4.47Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 3.07Å; H219-A222 PolarHBondContact O-N 3.13Å; V220-A222 VanDerWaalsContact C-N 3.29Å; V220-A222 PolarHBondContact O-N 3.36Å; A222-S225 PolarHBondContact O-N 3.45Å; A222-W226 VanDerWaalsContact O-CB 3.27Å; A222-W226 WeakPolarHBondContact O-CB 3.34Å; A222-W226 PolarHBondContact O-N 2.93Å |
| 223 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.5 | 178.5 | 60.8 | 0 | 0 | 0 | 111.9 | F197 H219 V220 S225 W226 A227 L249 L252 M260 A263 A264 T267 | F197-L223 HydrophobicContact CB-CB 4.21Å; F197-L223 HydrophobicContact CD1-CB 4.3Å; F197-L223 HydrophobicContact CD1-CD1 4.38Å; F197-L223 HydrophobicContact CD2-CD1 4.19Å; F197-L223 HydrophobicContact CE1-CD1 4.38Å; F197-L223 HydrophobicContact CE2-CD1 4.21Å; F197-L223 HydrophobicContact CG-CB 4.23Å; F197-L223 HydrophobicContact CG-CD1 4.3Å; F197-L223 HydrophobicContact CZ-CD1 4.3Å; H219-L223 WeakPolarHBondContact O-CB 3.21Å; H219-L223 PolarHBondContact O-N 2.94Å; V220-L223 PolarHBondContact O-N 3Å; L223-S225 VanDerWaalsContact C-N 3.34Å; L223-W226 HydrophobicContact CD1-CE3 4.08Å; L223-W226 HydrophobicContact CD1-CZ3 4.45Å; L223-W226 PolarHBondContact O-N 3.2Å; L223-A227 VanDerWaalsContact O-CB 3.3Å; L223-A227 WeakPolarHBondContact O-CB 3.44Å; L223-A227 PolarHBondContact O-N 3.23Å; L223-L249 HydrophobicContact CD1-CD2 3.8Å; L223-L249 HydrophobicContact CD2-CD2 4.46Å; L223-L252 HydrophobicContact CD2-CD1 4.17Å; L223-M260 HydrophobicContact CD2-SD 4.25Å; L223-A263 HydrophobicContact CD2-CB 4.04Å; L223-A264 HydrophobicContact CD2-CB 4.32Å; L223-T267 HydrophobicContact CD1-CG2 4.1Å |
| 224 | L | 98.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 22.1 Ų | 22.1 | 15% | 0.152 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.4 | -33.2 | 178.1 | -68.3 | 177.1 | 0 | 0 | 0 | 112.8 | V220 L228 A263 R350 | V220-L224 HydrophobicContact CG1-CD1 3.95Å; V220-L224 HydrophobicContact CG1-CG 4.39Å; V220-L224 WeakPolarHBondContact O-CG 3.21Å; V220-L224 PolarHBondContact O-N 3.17Å; L224-L228 PolarHBondContact O-N 3.27Å; L224-A263 HydrophobicContact CD1-CB 4.44Å; L224-A263 HydrophobicContact CD2-CB 3.72Å; L224-A263 HydrophobicContact CG-CB 3.95Å; L224-R350 PolarHBondContact O-NE 3.18Å |
| 225 | S | 98.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72.1 | -39.6 | 174.8 | -58 | 0 | 0 | 0 | 0 | 111.4 | A169 T170 N221 A222 L223 L228 L229 | A169-S225 PolarHBondContact O-OG 3.36Å; A169-S225 VanDerWaalsContact O-OG 3.1Å; T170-S225 WeakPolarHBondContact CA-OG 3.4Å; N221-S225 VanDerWaalsContact O-CB 3.27Å; N221-S225 WeakPolarHBondContact O-CB 3.45Å; N221-S225 PolarHBondContact O-N 3.21Å; N221-S225 PolarHBondContact O-OG 3.14Å; A222-S225 PolarHBondContact O-N 3.45Å; L223-S225 VanDerWaalsContact C-N 3.34Å; S225-L228 WeakPolarHBondContact O-CB 3.48Å; S225-L228 PolarHBondContact O-N 2.85Å; S225-L229 WeakPolarHBondContact O-CG 3.22Å; S225-L229 PolarHBondContact O-N 3.4Å; S225-L229 VanDerWaalsContact O-N 3.15Å |
| 226 | W | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 171.2 | -179.8 | 85.2 | 0 | 0 | 0 | 111.4 | M190 F193 E194 F197 A222 L223 L228 L229 L230 V241 H245 L249 T267 | M190-W226 HydrophobicContact CE-CG 4.42Å; F193-W226 HydrophobicContact CB-CB 3.87Å; F193-W226 HydrophobicContact CD2-CB 4.26Å; F193-W226 HydrophobicContact CG-CB 4.41Å; E194-W226 PolarHBondContact OE1-NE1 3.32Å; F197-W226 HydrophobicContact CE1-CB 3.85Å; F197-W226 AromaticContact CE1-CD2 3.91Å; F197-W226 HydrophobicContact CE1-CD2 3.91Å; F197-W226 HydrophobicContact CE1-CE3 4.33Å; F197-W226 AromaticContact CE1-CG 3.69Å; F197-W226 HydrophobicContact CE1-CG 3.69Å; F197-W226 AromaticContact CZ-CD2 3.91Å; F197-W226 HydrophobicContact CZ-CD2 3.91Å; F197-W226 HydrophobicContact CZ-CE3 4.14Å; F197-W226 HydrophobicContact CZ-CG 4.18Å; A222-W226 VanDerWaalsContact O-CB 3.27Å; A222-W226 WeakPolarHBondContact O-CB 3.34Å; A222-W226 PolarHBondContact O-N 2.93Å; L223-W226 HydrophobicContact CD1-CE3 4.08Å; L223-W226 HydrophobicContact CD1-CZ3 4.45Å; L223-W226 PolarHBondContact O-N 3.2Å; W226-L228 VanDerWaalsContact C-N 3.29Å; W226-L228 PolarHBondContact O-N 3.46Å; W226-L229 PolarHBondContact O-N 2.81Å; W226-L230 HydrophobicContact CD2-CD1 4.4Å; W226-L230 HydrophobicContact CD2-CG 4.41Å; W226-L230 HydrophobicContact CE3-CD1 3.81Å; W226-L230 HydrophobicContact CE3-CG 4.28Å; W226-L230 HydrophobicContact CH2-CD1 3.79Å; W226-L230 HydrophobicContact CH2-CD2 4.2Å; W226-L230 HydrophobicContact CH2-CG 4.39Å; W226-L230 HydrophobicContact CZ2-CD1 4.37Å; W226-L230 HydrophobicContact CZ2-CD2 4.05Å; W226-L230 HydrophobicContact CZ3-CD1 3.48Å; W226-L230 VanDerWaalsContact CZ3-CD1 3.48Å; W226-L230 HydrophobicContact CZ3-CG 4.29Å; W226-L230 PolarHBondContact O-N 3.35Å; W226-V241 HydrophobicContact CH2-CG1 3.42Å; W226-V241 VanDerWaalsContact CH2-CG1 3.42Å; W226-V241 HydrophobicContact CZ2-CB 4.48Å; W226-V241 HydrophobicContact CZ2-CG1 3.44Å; W226-V241 VanDerWaalsContact CZ2-CG1 3.44Å; W226-V241 HydrophobicContact CZ2-CG2 4.26Å; W226-H245 HydrophobicContact CH2-CB 4Å; W226-H245 AromaticContact CH2-CG 3.99Å; W226-H245 AromaticContact CZ2-CD2 3.87Å; W226-L249 HydrophobicContact CZ3-CD1 4.44Å; W226-T267 HydrophobicContact CE3-CG2 4.16Å; W226-T267 HydrophobicContact CZ3-CG2 3.76Å |
| 227 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L223 L230 T267 L270 | L223-A227 VanDerWaalsContact O-CB 3.3Å; L223-A227 WeakPolarHBondContact O-CB 3.44Å; L223-A227 PolarHBondContact O-N 3.23Å; A227-L230 WeakPolarHBondContact O-CB 3.46Å; A227-L230 PolarHBondContact O-N 3.03Å; A227-T267 HydrophobicContact CB-CG2 3.98Å; A227-L270 HydrophobicContact CB-CD2 4.06Å; A227-L270 WeakPolarHBondContact O-CD2 3.43Å |
| 228 | L | 98.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 171.4 | -175.9 | 66.4 | 0 | 0 | 0 | 111.5 | L174 L177 L224 S225 W226 L230 T231 R350 A354 | L174-L228 HydrophobicContact CD1-CD2 4.27Å; L177-L228 HydrophobicContact CB-CD2 4.31Å; L177-L228 HydrophobicContact CD2-CD1 3.81Å; L177-L228 HydrophobicContact CD2-CD2 3.98Å; L177-L228 HydrophobicContact CD2-CG 3.93Å; L224-L228 PolarHBondContact O-N 3.27Å; S225-L228 WeakPolarHBondContact O-CB 3.48Å; S225-L228 PolarHBondContact O-N 2.85Å; W226-L228 VanDerWaalsContact C-N 3.29Å; W226-L228 PolarHBondContact O-N 3.46Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.42Å; L228-T231 WeakPolarHBondContact O-CG2 3.34Å; L228-T231 PolarHBondContact O-N 2.8Å; L228-T231 PolarHBondContact O-OG1 2.81Å; L228-R350 HydrophobicContact CB-CG 4.48Å; L228-R350 HydrophobicContact CD1-CG 4.33Å; L228-A354 HydrophobicContact CD1-CB 3.65Å; L228-A354 HydrophobicContact CD2-CB 3.65Å; L228-A354 HydrophobicContact CG-CB 4.25Å |
| 229 | L | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.8 | -21.1 | 179.2 | -61.5 | -177.4 | 0 | 0 | 0 | 113.4 | T176 L177 V186 T189 M190 F193 S225 W226 T231 I232 C233 | T176-L229 HydrophobicContact CG2-CD1 3.96Å; T176-L229 HydrophobicContact CG2-CD2 3.82Å; L177-L229 HydrophobicContact CB-CD2 4.3Å; V186-L229 HydrophobicContact CG1-CB 4.41Å; V186-L229 HydrophobicContact CG1-CD1 4.4Å; T189-L229 HydrophobicContact CG2-CD1 4.22Å; M190-L229 HydrophobicContact CE-CB 4.46Å; M190-L229 HydrophobicContact CG-CB 3.75Å; M190-L229 HydrophobicContact CG-CD1 3.69Å; M190-L229 HydrophobicContact CG-CG 4.38Å; M190-L229 HydrophobicContact SD-CB 3.95Å; F193-L229 HydrophobicContact CD2-CD1 4.32Å; F193-L229 HydrophobicContact CE2-CD1 3.92Å; S225-L229 WeakPolarHBondContact O-CG 3.22Å; S225-L229 PolarHBondContact O-N 3.4Å; S225-L229 VanDerWaalsContact O-N 3.15Å; W226-L229 PolarHBondContact O-N 2.81Å; L229-T231 PolarHBondContact O-N 3.19Å; L229-I232 HydrophobicContact CD2-CD1 4.35Å; L229-I232 VanDerWaalsContact O-CG1 3.23Å; L229-I232 WeakPolarHBondContact O-CG1 3.33Å; L229-I232 PolarHBondContact O-N 3.24Å; L229-C233 PolarHBondContact O-SG 2.86Å |
| 230 | L | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -28.3 | 170.8 | -69.1 | 176.2 | 0 | 0 | 0 | 112.7 | M190 W226 A227 L228 I232 C233 L238 V241 L270 L271 L274 | M190-L230 HydrophobicContact CE-CD2 3.54Å; M190-L230 HydrophobicContact CE-CG 4.11Å; W226-L230 HydrophobicContact CD2-CD1 4.4Å; W226-L230 HydrophobicContact CD2-CG 4.41Å; W226-L230 HydrophobicContact CE3-CD1 3.81Å; W226-L230 HydrophobicContact CE3-CG 4.28Å; W226-L230 HydrophobicContact CH2-CD1 3.79Å; W226-L230 HydrophobicContact CH2-CD2 4.2Å; W226-L230 HydrophobicContact CH2-CG 4.39Å; W226-L230 HydrophobicContact CZ2-CD1 4.37Å; W226-L230 HydrophobicContact CZ2-CD2 4.05Å; W226-L230 HydrophobicContact CZ3-CD1 3.48Å; W226-L230 VanDerWaalsContact CZ3-CD1 3.48Å; W226-L230 HydrophobicContact CZ3-CG 4.29Å; W226-L230 PolarHBondContact O-N 3.35Å; A227-L230 WeakPolarHBondContact O-CB 3.46Å; A227-L230 PolarHBondContact O-N 3.03Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 PolarHBondContact O-N 3.42Å; L230-I232 PolarHBondContact O-N 3.23Å; L230-C233 WeakPolarHBondContact O-CB 3.24Å; L230-C233 PolarHBondContact O-N 3.3Å; L230-L238 HydrophobicContact CB-CD2 4.48Å; L230-L238 HydrophobicContact CD2-CD2 3.85Å; L230-V241 HydrophobicContact CD2-CB 4.45Å; L230-V241 HydrophobicContact CD2-CG1 3.85Å; L230-V241 HydrophobicContact CD2-CG2 4.21Å; L230-L270 HydrophobicContact CB-CD2 4.38Å; L230-L271 HydrophobicContact CD1-CD2 3.61Å; L230-L271 HydrophobicContact CD1-CG 4.09Å; L230-L271 HydrophobicContact CD2-CD2 4.49Å; L230-L274 HydrophobicContact CB-CD1 4.01Å |
| 231 | T | 96.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 29.6 Ų | 29.6 | 17% | 0.166 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.7 | -177.2 | 71.7 | 0 | 0 | 0 | 0 | 113.5 | L228 L229 L270 V347 | L228-T231 WeakPolarHBondContact O-CG2 3.34Å; L228-T231 PolarHBondContact O-N 2.8Å; L228-T231 PolarHBondContact O-OG1 2.81Å; L229-T231 PolarHBondContact O-N 3.19Å; T231-L270 HydrophobicContact CG2-CD1 4.35Å; T231-L270 HydrophobicContact CG2-CD2 4.34Å; T231-V347 HydrophobicContact CG2-CB 4.39Å; T231-V347 HydrophobicContact CG2-CG1 4.09Å; T231-V347 HydrophobicContact CG2-CG2 4.34Å |
| 232 | I | 91.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 29.6 Ų | 29.6 | 42% | 0.415 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 7.2 | 178.3 | 60.7 | 164 | 0 | 0 | 0 | 112.4 | L177 V186 L229 L230 | L177-I232 HydrophobicContact CD1-CD1 4.08Å; L177-I232 HydrophobicContact CD1-CG1 4.32Å; L177-I232 HydrophobicContact CD1-CG2 3.54Å; V186-I232 HydrophobicContact CG1-CD1 4.23Å; V186-I232 HydrophobicContact CG2-CD1 4.46Å; L229-I232 HydrophobicContact CD2-CD1 4.35Å; L229-I232 VanDerWaalsContact O-CG1 3.23Å; L229-I232 WeakPolarHBondContact O-CG1 3.33Å; L229-I232 PolarHBondContact O-N 3.24Å; L230-I232 PolarHBondContact O-N 3.23Å |
| 233 | C | 89.6 | Confident | 94.3 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | trans | -74.6 | 145.6 | 178.6 | -78.2 | 0 | 0 | 0 | 0 | 112 | L229 L230 Q237 L238 | L229-C233 PolarHBondContact O-SG 2.86Å; L230-C233 WeakPolarHBondContact O-CB 3.24Å; L230-C233 PolarHBondContact O-N 3.3Å; C233-Q237 HydrophobicContact CB-CB 4.42Å; C233-L238 HydrophobicContact CB-CD1 4.26Å; C233-L238 HydrophobicContact CB-CD2 4.17Å; C233-L238 HydrophobicContact CB-CG 3.85Å | ||
| 234 | S | 87.1 | Confident | 94.1 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | trans | -71.5 | 156.7 | 170.6 | 68.1 | 0 | 0 | 0 | 0 | 112 | N236 Q237 L238 | S234-N236 PolarHBondContact O-N 3.12Å; S234-N236 VanDerWaalsContact O-N 3.16Å; S234-Q237 PolarHBondContact O-N 2.81Å; S234-Q237 VanDerWaalsContact O-N 3.09Å; S234-Q237 VanDerWaalsContact OG-CD 3.28Å; S234-Q237 WeakPolarHBondContact OG-CG 3.4Å; S234-Q237 PolarHBondContact OG-OE1 2.94Å; S234-L238 PolarHBondContact O-N 3.28Å | ||
| 235 | A | 89.6 | Confident | 93.9 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.3 | -36 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L238 K239 I278 | A235-L238 PolarHBondContact O-N 3.11Å; A235-K239 WeakPolarHBondContact O-CG 3.44Å; A235-K239 PolarHBondContact O-N 2.82Å; A235-K239 VanDerWaalsContact O-N 3.13Å; A235-I278 HydrophobicContact CB-CD1 3.92Å; A235-I278 HydrophobicContact CB-CG1 3.86Å; A235-I278 HydrophobicContact CB-CG2 4.17Å |
| 236 | N | 87.7 | Confident | 93.7 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 70% | 0.695 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.8 | -39.9 | 179.2 | -73.4 | -24.9 | 0 | 0 | 0 | 112.4 | S234 | S234-N236 PolarHBondContact O-N 3.12Å; S234-N236 VanDerWaalsContact O-N 3.16Å |
| 237 | Q | 89.9 | Confident | 93.4 | Very high | 31 Ų | 31 | 42.3 Ų | 42.3 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.2 | -66.2 | 165.7 | -48.2 | 0 | 0 | 110.4 | C233 S234 K239 G240 V241 | C233-Q237 HydrophobicContact CB-CB 4.42Å; S234-Q237 PolarHBondContact O-N 2.81Å; S234-Q237 VanDerWaalsContact O-N 3.09Å; S234-Q237 VanDerWaalsContact OG-CD 3.28Å; S234-Q237 WeakPolarHBondContact OG-CG 3.4Å; S234-Q237 PolarHBondContact OG-OE1 2.94Å; Q237-K239 VanDerWaalsContact C-N 3.33Å; Q237-K239 PolarHBondContact O-N 3.15Å; Q237-G240 PolarHBondContact O-N 3.3Å; Q237-G240 VanDerWaalsContact O-N 3.13Å; Q237-V241 WeakPolarHBondContact O-CG2 3.3Å; Q237-V241 PolarHBondContact O-N 3.47Å |
| 238 | L | 93.4 | Very high | 93.1 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -39 | 179.6 | -77.5 | 167.2 | 0 | 0 | 0 | 112.6 | L230 C233 S234 A235 G240 V241 L242 L274 I278 | L230-L238 HydrophobicContact CB-CD2 4.48Å; L230-L238 HydrophobicContact CD2-CD2 3.85Å; C233-L238 HydrophobicContact CB-CD1 4.26Å; C233-L238 HydrophobicContact CB-CD2 4.17Å; C233-L238 HydrophobicContact CB-CG 3.85Å; S234-L238 PolarHBondContact O-N 3.28Å; A235-L238 PolarHBondContact O-N 3.11Å; L238-G240 VanDerWaalsContact C-N 3.31Å; L238-G240 PolarHBondContact O-N 3.27Å; L238-V241 PolarHBondContact O-N 3.37Å; L238-L242 WeakPolarHBondContact O-CB 3.14Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.21Å; L238-L242 PolarHBondContact O-N 3.4Å; L238-L274 HydrophobicContact CD1-CB 4.19Å; L238-L274 HydrophobicContact CD1-CD1 4.29Å; L238-L274 HydrophobicContact CD1-CD2 4.43Å; L238-L274 HydrophobicContact CD2-CB 4.46Å; L238-L274 HydrophobicContact CD2-CD1 3.86Å; L238-I278 HydrophobicContact CB-CD1 3.65Å; L238-I278 HydrophobicContact CD1-CD1 3.74Å; L238-I278 HydrophobicContact CG-CD1 4.34Å |
| 239 | K | 92.6 | Very high | 92.9 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 174.5 | -73.6 | 177.3 | -178.3 | -176.7 | 0 | 112.9 | A235 Q237 K243 | A235-K239 WeakPolarHBondContact O-CG 3.44Å; A235-K239 PolarHBondContact O-N 2.82Å; A235-K239 VanDerWaalsContact O-N 3.13Å; Q237-K239 VanDerWaalsContact C-N 3.33Å; Q237-K239 PolarHBondContact O-N 3.15Å; K239-K243 PolarHBondContact O-N 3.45Å |
| 240 | G | 92.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q237 L238 T244 | Q237-G240 PolarHBondContact O-N 3.3Å; Q237-G240 VanDerWaalsContact O-N 3.13Å; L238-G240 VanDerWaalsContact C-N 3.31Å; L238-G240 PolarHBondContact O-N 3.27Å; G240-T244 WeakPolarHBondContact O-CB 3.49Å; G240-T244 PolarHBondContact O-N 3.37Å; G240-T244 PolarHBondContact O-OG1 3.09Å |
| 241 | V | 95.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.9 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | W226 L230 Q237 L238 K243 T244 H245 L271 | W226-V241 HydrophobicContact CH2-CG1 3.42Å; W226-V241 VanDerWaalsContact CH2-CG1 3.42Å; W226-V241 HydrophobicContact CZ2-CB 4.48Å; W226-V241 HydrophobicContact CZ2-CG1 3.44Å; W226-V241 VanDerWaalsContact CZ2-CG1 3.44Å; W226-V241 HydrophobicContact CZ2-CG2 4.26Å; L230-V241 HydrophobicContact CD2-CB 4.45Å; L230-V241 HydrophobicContact CD2-CG1 3.85Å; L230-V241 HydrophobicContact CD2-CG2 4.21Å; Q237-V241 WeakPolarHBondContact O-CG2 3.3Å; Q237-V241 PolarHBondContact O-N 3.47Å; L238-V241 PolarHBondContact O-N 3.37Å; V241-K243 PolarHBondContact O-N 3.22Å; V241-T244 PolarHBondContact O-N 2.88Å; V241-T244 VanDerWaalsContact O-N 3.11Å; V241-H245 HydrophobicContact CG1-CB 4.49Å; V241-H245 WeakPolarHBondContact O-CB 3.3Å; V241-H245 PolarHBondContact O-N 2.99Å; V241-L271 HydrophobicContact CG1-CD2 3.94Å |
| 242 | L | 94.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.8 | -50.5 | -178.7 | -74.4 | 164.5 | 0 | 0 | 0 | 110.9 | L238 T244 L246 L271 A275 | L238-L242 WeakPolarHBondContact O-CB 3.14Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.21Å; L238-L242 PolarHBondContact O-N 3.4Å; L242-T244 VanDerWaalsContact C-N 3.27Å; L242-T244 PolarHBondContact O-N 3.3Å; L242-L246 HydrophobicContact CD2-CD2 4.19Å; L242-L246 WeakPolarHBondContact O-CB 3.45Å; L242-L246 PolarHBondContact O-N 3.02Å; L242-L246 VanDerWaalsContact O-N 3.12Å; L242-L271 HydrophobicContact CD2-CB 3.93Å; L242-L271 HydrophobicContact CD2-CD2 3.97Å; L242-L271 HydrophobicContact CD2-CG 4.45Å; L242-A275 HydrophobicContact CD1-CB 3.66Å; L242-A275 HydrophobicContact CD2-CB 3.98Å; L242-A275 HydrophobicContact CG-CB 4.49Å |
| 243 | K | 93.1 | Very high | 92.3 | Very high | 180 Ų | 180 | 47.2 Ų | 47.2 | 78% | 0.783 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.1 | -37 | 178.4 | -175.9 | 176.9 | 179.3 | 177.6 | 0 | 113 | K239 V241 | K239-K243 PolarHBondContact O-N 3.45Å; V241-K243 PolarHBondContact O-N 3.22Å |
| 244 | T | 93.1 | Very high | 92.4 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 44% | 0.436 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -87.3 | -42.6 | -172.5 | -56 | 0 | 0 | 0 | 0 | 112.6 | G240 V241 L242 R248 | G240-T244 WeakPolarHBondContact O-CB 3.49Å; G240-T244 PolarHBondContact O-N 3.37Å; G240-T244 PolarHBondContact O-OG1 3.09Å; V241-T244 PolarHBondContact O-N 2.88Å; V241-T244 VanDerWaalsContact O-N 3.11Å; L242-T244 VanDerWaalsContact C-N 3.27Å; L242-T244 PolarHBondContact O-N 3.3Å; T244-R248 WeakPolarHBondContact O-CD 3.47Å |
| 245 | H | 95.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -103.6 | -33.1 | -166.9 | -72 | -80.3 | 0 | 0 | 0 | 113.8 | E194 F197 Y201 W226 V241 R248 L249 | E194-H245 IonicContact OE1-NE2 3.63Å; E194-H245 IonicContact OE2-NE2 2.74Å; F197-H245 AromaticContact CE2-ND1 3.99Å; Y201-H245 PolarHBondContact OH-ND1 2.96Å; Y201-H245 VanDerWaalsContact OH-ND1 3.12Å; W226-H245 HydrophobicContact CH2-CB 4Å; W226-H245 AromaticContact CH2-CG 3.99Å; W226-H245 AromaticContact CZ2-CD2 3.87Å; V241-H245 HydrophobicContact CG1-CB 4.49Å; V241-H245 WeakPolarHBondContact O-CB 3.3Å; V241-H245 PolarHBondContact O-N 2.99Å; H245-R248 PolarHBondContact O-N 2.92Å; H245-L249 HydrophobicContact CB-CD1 4.3Å; H245-L249 HydrophobicContact CB-CG 4.47Å; H245-L249 WeakPolarHBondContact O-CG 3.28Å; H245-L249 PolarHBondContact O-N 2.84Å |
| 246 | L | 93.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -47 | -172.9 | -170.6 | 62.6 | 0 | 0 | 0 | 112.6 | L242 R248 L249 Q250 I268 L271 F272 F282 F284 | L242-L246 HydrophobicContact CD2-CD2 4.19Å; L242-L246 WeakPolarHBondContact O-CB 3.45Å; L242-L246 PolarHBondContact O-N 3.02Å; L242-L246 VanDerWaalsContact O-N 3.12Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-R248 PolarHBondContact O-N 3.35Å; L246-L249 PolarHBondContact O-N 2.95Å; L246-Q250 WeakPolarHBondContact O-CG 3.5Å; L246-I268 HydrophobicContact CD1-CG1 4.39Å; L246-I268 HydrophobicContact CD1-CG2 4.27Å; L246-L271 HydrophobicContact CD1-CB 4.24Å; L246-L271 HydrophobicContact CD1-CD1 4.11Å; L246-F272 HydrophobicContact CD1-CD2 4.21Å; L246-F272 HydrophobicContact CD1-CE2 3.97Å; L246-F272 HydrophobicContact CD2-CE2 4.01Å; L246-F272 HydrophobicContact CG-CE2 4.42Å; L246-F282 HydrophobicContact CD2-CE1 4.42Å; L246-F282 HydrophobicContact CD2-CZ 3.88Å; L246-F284 HydrophobicContact CB-CE2 4.41Å; L246-F284 HydrophobicContact CD2-CD2 3.63Å; L246-F284 HydrophobicContact CD2-CE2 3.77Å; L246-F284 HydrophobicContact CD2-CG 4.11Å; L246-F284 HydrophobicContact CD2-CZ 4.34Å; L246-F284 HydrophobicContact CG-CD2 4.29Å; L246-F284 HydrophobicContact CG-CE2 3.92Å; L246-F284 HydrophobicContact CG-CZ 4.13Å |
| 247 | P | 92.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -33.9 | 174.5 | -24.3 | 35.9 | 0 | 0 | 0 | 113.7 | F284 E286 | P247-F284 HydrophobicContact CG-CE2 4.25Å; P247-F284 HydrophobicContact CG-CZ 4.48Å; P247-E286 WeakPolarHBondContact CB-OE2 3.46Å |
| 248 | R | 92.4 | Very high | 93 | Very high | 89 Ų | 89 | 50.6 Ų | 50.6 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.9 | -34.4 | -174.6 | -59.7 | 177.2 | 72.8 | -174.4 | 7.3 | 112.3 | Y201 T244 H245 L246 Q250 R251 | Y201-R248 HydrophobicContact CD1-CB 4.24Å; Y201-R248 HydrophobicContact CD2-CB 4.16Å; Y201-R248 VanDerWaalsContact CD2-NE 3.31Å; Y201-R248 VanDerWaalsContact CD2-NH2 3.25Å; Y201-R248 HydrophobicContact CE1-CB 3.95Å; Y201-R248 HydrophobicContact CE2-CB 3.79Å; Y201-R248 HydrophobicContact CG-CB 4.34Å; T244-R248 WeakPolarHBondContact O-CD 3.47Å; H245-R248 PolarHBondContact O-N 2.92Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-R248 PolarHBondContact O-N 3.35Å; R248-Q250 PolarHBondContact O-N 3.15Å; R248-R251 WeakPolarHBondContact O-CB 3.21Å; R248-R251 PolarHBondContact O-N 3.43Å; R248-R251 VanDerWaalsContact O-N 3.15Å |
| 249 | L | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -33 | 177 | -76.1 | 171.5 | 0 | 0 | 0 | 111.9 | Y201 L223 W226 H245 L246 R251 L252 T267 I268 L271 | Y201-L249 HydrophobicContact CE1-CD2 4.21Å; L223-L249 HydrophobicContact CD1-CD2 3.8Å; L223-L249 HydrophobicContact CD2-CD2 4.46Å; W226-L249 HydrophobicContact CZ3-CD1 4.44Å; H245-L249 HydrophobicContact CB-CD1 4.3Å; H245-L249 HydrophobicContact CB-CG 4.47Å; H245-L249 WeakPolarHBondContact O-CG 3.28Å; H245-L249 PolarHBondContact O-N 2.84Å; L246-L249 PolarHBondContact O-N 2.95Å; L249-R251 PolarHBondContact O-N 3.36Å; L249-R251 VanDerWaalsContact O-N 3.17Å; L249-L252 HydrophobicContact CD2-CD1 3.93Å; L249-L252 WeakPolarHBondContact O-CB 3.17Å; L249-L252 PolarHBondContact O-N 2.97Å; L249-T267 HydrophobicContact CD1-CG2 4.03Å; L249-I268 HydrophobicContact CB-CD1 4.11Å; L249-I268 HydrophobicContact CB-CG1 3.92Å; L249-I268 HydrophobicContact CD1-CG1 4.43Å; L249-L271 HydrophobicContact CD1-CD1 3.46Å; L249-L271 VanDerWaalsContact CD1-CD1 3.46Å |
| 250 | Q | 92.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.9 | -34.3 | 175.4 | -54.7 | -167.9 | 52.3 | 0 | 0 | 112.7 | L246 R248 L252 L253 E286 L290 | L246-Q250 WeakPolarHBondContact O-CG 3.5Å; R248-Q250 PolarHBondContact O-N 3.15Å; Q250-L252 VanDerWaalsContact C-N 3.25Å; Q250-L252 PolarHBondContact O-N 2.89Å; Q250-L253 WeakPolarHBondContact O-CB 3.38Å; Q250-L253 WeakPolarHBondContact O-CG 3.26Å; Q250-L253 PolarHBondContact O-N 3.27Å; Q250-L253 VanDerWaalsContact O-N 3.15Å; Q250-E286 PolarHBondContact NE2-OE2 2.87Å; Q250-L290 HydrophobicContact CG-CD1 4.02Å |
| 251 | R | 89.9 | Confident | 93.4 | Very high | 114 Ų | 114 | 45.2 Ų | 45.2 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.9 | -25.1 | 178.7 | -57.8 | -168.2 | -177.6 | 129.2 | 6.5 | 112.6 | R248 L249 L253 E254 | R248-R251 WeakPolarHBondContact O-CB 3.21Å; R248-R251 PolarHBondContact O-N 3.43Å; R248-R251 VanDerWaalsContact O-N 3.15Å; L249-R251 PolarHBondContact O-N 3.36Å; L249-R251 VanDerWaalsContact O-N 3.17Å; R251-L253 PolarHBondContact O-N 3.15Å; R251-E254 PolarHBondContact O-N 3.28Å |
| 252 | L | 94.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71 | -18.3 | 175.2 | -61.3 | -177.2 | 0 | 0 | 0 | 112.5 | S200 Y201 L223 L249 Q250 E254 S255 M260 A264 | S200-L252 WeakPolarHBondContact O-CD2 3.35Å; Y201-L252 HydrophobicContact CD1-CD1 4.03Å; Y201-L252 HydrophobicContact CD1-CD2 3.73Å; Y201-L252 HydrophobicContact CD1-CG 3.76Å; Y201-L252 HydrophobicContact CE1-CD1 3.61Å; Y201-L252 HydrophobicContact CE1-CD2 4.2Å; Y201-L252 HydrophobicContact CE1-CG 3.76Å; L223-L252 HydrophobicContact CD2-CD1 4.17Å; L249-L252 HydrophobicContact CD2-CD1 3.93Å; L249-L252 WeakPolarHBondContact O-CB 3.17Å; L249-L252 PolarHBondContact O-N 2.97Å; Q250-L252 VanDerWaalsContact C-N 3.25Å; Q250-L252 PolarHBondContact O-N 2.89Å; L252-E254 PolarHBondContact O-N 3.09Å; L252-S255 VanDerWaalsContact O-CB 3.22Å; L252-S255 WeakPolarHBondContact O-CB 3.4Å; L252-S255 PolarHBondContact O-N 2.95Å; L252-S255 VanDerWaalsContact O-N 3.15Å; L252-M260 HydrophobicContact CB-CG 4.35Å; L252-M260 HydrophobicContact CB-SD 4.47Å; L252-M260 HydrophobicContact CD1-SD 3.94Å; L252-M260 HydrophobicContact CD2-SD 4.4Å; L252-A264 HydrophobicContact CB-CB 3.63Å; L252-A264 HydrophobicContact CD1-CB 4.36Å |
| 253 | L | 94.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.7 | 172.9 | -58.9 | 178.9 | 0 | 0 | 0 | 112.6 | Q250 R251 R261 A264 I268 L290 K293 L294 L297 F317 | Q250-L253 WeakPolarHBondContact O-CB 3.38Å; Q250-L253 WeakPolarHBondContact O-CG 3.26Å; Q250-L253 PolarHBondContact O-N 3.27Å; Q250-L253 VanDerWaalsContact O-N 3.15Å; R251-L253 PolarHBondContact O-N 3.15Å; L253-R261 WeakPolarHBondContact O-CD 3.31Å; L253-R261 WeakPolarHBondContact O-CG 3.43Å; L253-A264 HydrophobicContact CD2-CB 4.1Å; L253-I268 HydrophobicContact CD1-CD1 3.99Å; L253-I268 HydrophobicContact CD2-CD1 4.21Å; L253-I268 HydrophobicContact CG-CD1 4.17Å; L253-L290 HydrophobicContact CD1-CD1 3.84Å; L253-K293 HydrophobicContact CD1-CB 4.25Å; L253-L294 HydrophobicContact CD1-CD2 3.83Å; L253-L294 HydrophobicContact CD1-CG 4.49Å; L253-L294 HydrophobicContact CD2-CD2 4.4Å; L253-L297 HydrophobicContact CB-CD1 3.92Å; L253-L297 HydrophobicContact CD2-CD1 4.24Å; L253-F317 HydrophobicContact CD2-CE1 3.69Å; L253-F317 HydrophobicContact CD2-CZ 3.8Å |
| 254 | E | 91.2 | Very high | 94 | Very high | 107 Ų | 107 | 35.7 Ų | 35.7 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.8 | 178.5 | -62.9 | 168.1 | -153.3 | 0 | 0 | 112.7 | R251 L252 K293 | R251-E254 PolarHBondContact O-N 3.28Å; L252-E254 PolarHBondContact O-N 3.09Å; E254-K293 WeakPolarHBondContact OE1-CE 3.35Å; E254-K293 IonicContact OE1-NZ 3.28Å; E254-K293 PolarHBondContact OE1-NZ 3.15Å |
| 255 | S | 91.4 | Very high | 94.2 | Very high | 30 Ų | 30 | 32.3 Ų | 32.3 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | trans | -55.4 | 149.6 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | L252 D257 R261 | L252-S255 VanDerWaalsContact O-CB 3.22Å; L252-S255 WeakPolarHBondContact O-CB 3.4Å; L252-S255 PolarHBondContact O-N 2.95Å; L252-S255 VanDerWaalsContact O-N 3.15Å; S255-D257 VanDerWaalsContact C-N 3.3Å; S255-D257 PolarHBondContact OG-N 3.39Å; S255-R261 VanDerWaalsContact O-CD 3.29Å; S255-R261 WeakPolarHBondContact O-CD 3.22Å; S255-R261 WeakPolarHBondContact O-CG 3.47Å; S255-R261 PolarHBondContact O-NH1 2.82Å | ||
| 256 | D | 89.1 | Confident | 94.4 | Very high | 157 Ų | 157 | 33.4 Ų | 33.4 | 84% | 0.84 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -71.9 | -25.5 | 171.7 | -72.3 | -41.5 | 0 | 0 | 0 | 112.5 | V258 R261 | D256-V258 PolarHBondContact O-N 3.09Å; D256-R261 PolarHBondContact O-NH1 3.25Å |
| 257 | D | 92 | Very high | 94.6 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | trans | -79.3 | 119.3 | 177.9 | -177.7 | -4.7 | 0 | 0 | 0 | 111.5 | S216 S255 N259 M260 R261 | S216-D257 VanDerWaalsContact CB-OD2 3.29Å; S216-D257 WeakPolarHBondContact CB-OD2 3.46Å; S216-D257 WeakPolarHBondContact OG-CB 3.16Å; S216-D257 PolarHBondContact OG-OD2 2.76Å; S255-D257 VanDerWaalsContact C-N 3.3Å; S255-D257 PolarHBondContact OG-N 3.39Å; D257-N259 VanDerWaalsContact C-N 3.31Å; D257-N259 PolarHBondContact O-N 2.87Å; D257-N259 WeakPolarHBondContact OD1-CB 3.38Å; D257-N259 PolarHBondContact OD1-N 2.94Å; D257-M260 HydrophobicContact CB-CB 3.93Å; D257-M260 PolarHBondContact O-N 3.16Å; D257-R261 PolarHBondContact O-N 2.96Å; D257-R261 VanDerWaalsContact O-N 3.1Å; D257-R261 PolarHBondContact O-NH1 2.91Å | ||
| 258 | V | 93.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 113 | D256 M260 R261 I262 D309 Q313 | D256-V258 PolarHBondContact O-N 3.09Å; V258-M260 VanDerWaalsContact C-N 3.35Å; V258-R261 PolarHBondContact O-N 3.42Å; V258-I262 HydrophobicContact CG2-CD1 3.97Å; V258-I262 HydrophobicContact CG2-CG1 4.48Å; V258-I262 WeakPolarHBondContact O-CB 3.39Å; V258-I262 WeakPolarHBondContact O-CG1 3.49Å; V258-I262 PolarHBondContact O-N 3.17Å; V258-D309 HydrophobicContact CB-CB 4.4Å; V258-D309 HydrophobicContact CG1-CB 4.28Å; V258-D309 HydrophobicContact CG2-CB 4.15Å; V258-Q313 HydrophobicContact CG2-CB 4.13Å |
| 259 | N | 95.9 | Very high | 95.2 | Very high | 53 Ų | 53 | 27.1 Ų | 27.1 | 28% | 0.283 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -71 | -35.9 | -179.8 | -68 | -33.8 | 0 | 0 | 0 | 110.7 | V220 D257 I262 A263 | V220-N259 HydrophobicContact CG1-CB 4.49Å; V220-N259 HydrophobicContact CG2-CB 4.28Å; D257-N259 VanDerWaalsContact C-N 3.31Å; D257-N259 PolarHBondContact O-N 2.87Å; D257-N259 WeakPolarHBondContact OD1-CB 3.38Å; D257-N259 PolarHBondContact OD1-N 2.94Å; N259-I262 PolarHBondContact O-N 2.98Å; N259-A263 VanDerWaalsContact O-CB 3.3Å; N259-A263 WeakPolarHBondContact O-CB 3.38Å; N259-A263 PolarHBondContact O-N 2.87Å |
| 260 | M | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 172.3 | -177.7 | 58.9 | 70.9 | 0 | 0 | 111.9 | H219 V220 L223 L252 D257 V258 I262 A263 A264 | H219-M260 HydrophobicContact CB-CE 3.59Å; V220-M260 HydrophobicContact CG2-CB 3.99Å; V220-M260 HydrophobicContact CG2-CE 3.71Å; V220-M260 HydrophobicContact CG2-SD 4.25Å; L223-M260 HydrophobicContact CD2-SD 4.25Å; L252-M260 HydrophobicContact CB-CG 4.35Å; L252-M260 HydrophobicContact CB-SD 4.47Å; L252-M260 HydrophobicContact CD1-SD 3.94Å; L252-M260 HydrophobicContact CD2-SD 4.4Å; D257-M260 HydrophobicContact CB-CB 3.93Å; D257-M260 PolarHBondContact O-N 3.16Å; V258-M260 VanDerWaalsContact C-N 3.35Å; M260-I262 PolarHBondContact O-N 2.57Å; M260-A263 PolarHBondContact O-N 2.65Å; M260-A264 WeakPolarHBondContact O-CB 3.49Å; M260-A264 PolarHBondContact O-N 3.39Å |
| 261 | R | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 176.4 | -65.4 | -168.7 | -62.6 | -81 | -1.1 | 111.1 | L253 S255 D256 D257 V258 A264 G265 R305 Q313 F317 | L253-R261 WeakPolarHBondContact O-CD 3.31Å; L253-R261 WeakPolarHBondContact O-CG 3.43Å; S255-R261 VanDerWaalsContact O-CD 3.29Å; S255-R261 WeakPolarHBondContact O-CD 3.22Å; S255-R261 WeakPolarHBondContact O-CG 3.47Å; S255-R261 PolarHBondContact O-NH1 2.82Å; D256-R261 PolarHBondContact O-NH1 3.25Å; D257-R261 PolarHBondContact O-N 2.96Å; D257-R261 VanDerWaalsContact O-N 3.1Å; D257-R261 PolarHBondContact O-NH1 2.91Å; V258-R261 PolarHBondContact O-N 3.42Å; R261-A264 PolarHBondContact O-N 2.75Å; R261-G265 PolarHBondContact O-N 3.21Å; R261-R305 VanDerWaalsContact NH2-NH1 3.18Å; R261-Q313 VanDerWaalsContact CZ-OE1 3.24Å; R261-F317 HydrophobicContact CB-CE2 4.23Å; R261-F317 HydrophobicContact CB-CZ 4.2Å; R261-F317 VanDerWaalsContact O-CZ 3.25Å; R261-F317 WeakPolarHBondContact O-CZ 3.49Å |
| 262 | I | 98.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 6% | 0.062 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -52 | 178.6 | -74.4 | 170.9 | 0 | 0 | 0 | 110.7 | V258 N259 M260 A264 G265 E266 K312 V316 F317 | V258-I262 HydrophobicContact CG2-CD1 3.97Å; V258-I262 HydrophobicContact CG2-CG1 4.48Å; V258-I262 WeakPolarHBondContact O-CB 3.39Å; V258-I262 WeakPolarHBondContact O-CG1 3.49Å; V258-I262 PolarHBondContact O-N 3.17Å; N259-I262 PolarHBondContact O-N 2.98Å; M260-I262 PolarHBondContact O-N 2.57Å; I262-A264 VanDerWaalsContact C-N 3.32Å; I262-A264 PolarHBondContact O-N 2.88Å; I262-G265 PolarHBondContact O-N 3.21Å; I262-G265 VanDerWaalsContact O-N 3.16Å; I262-E266 HydrophobicContact CG2-CG 4.48Å; I262-E266 WeakPolarHBondContact O-CG 3.48Å; I262-E266 PolarHBondContact O-N 3.03Å; I262-K312 HydrophobicContact CD1-CD 3.89Å; I262-K312 HydrophobicContact CD1-CG 3.88Å; I262-V316 HydrophobicContact CG2-CG1 4.23Å; I262-V316 HydrophobicContact CG2-CG2 4.33Å; I262-F317 HydrophobicContact CG1-CE2 4.34Å |
| 263 | A | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V220 L223 L224 N259 M260 T267 | V220-A263 HydrophobicContact CG1-CB 4Å; L223-A263 HydrophobicContact CD2-CB 4.04Å; L224-A263 HydrophobicContact CD1-CB 4.44Å; L224-A263 HydrophobicContact CD2-CB 3.72Å; L224-A263 HydrophobicContact CG-CB 3.95Å; N259-A263 VanDerWaalsContact O-CB 3.3Å; N259-A263 WeakPolarHBondContact O-CB 3.38Å; N259-A263 PolarHBondContact O-N 2.87Å; M260-A263 PolarHBondContact O-N 2.65Å; A263-T267 VanDerWaalsContact O-CB 3.29Å; A263-T267 WeakPolarHBondContact O-CB 3.22Å; A263-T267 PolarHBondContact O-N 3.21Å; A263-T267 PolarHBondContact O-OG1 2.74Å |
| 264 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L223 L252 L253 M260 R261 I262 T267 I268 | L223-A264 HydrophobicContact CD2-CB 4.32Å; L252-A264 HydrophobicContact CB-CB 3.63Å; L252-A264 HydrophobicContact CD1-CB 4.36Å; L253-A264 HydrophobicContact CD2-CB 4.1Å; M260-A264 WeakPolarHBondContact O-CB 3.49Å; M260-A264 PolarHBondContact O-N 3.39Å; R261-A264 PolarHBondContact O-N 2.75Å; I262-A264 VanDerWaalsContact C-N 3.32Å; I262-A264 PolarHBondContact O-N 2.88Å; A264-T267 PolarHBondContact O-N 3.35Å; A264-I268 WeakPolarHBondContact O-CB 3.3Å; A264-I268 WeakPolarHBondContact O-CD1 3.31Å; A264-I268 WeakPolarHBondContact O-CG1 3.16Å; A264-I268 PolarHBondContact O-N 3.4Å |
| 265 | G | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R261 I262 T267 I268 A269 V320 | R261-G265 PolarHBondContact O-N 3.21Å; I262-G265 PolarHBondContact O-N 3.21Å; I262-G265 VanDerWaalsContact O-N 3.16Å; G265-T267 VanDerWaalsContact C-N 3.32Å; G265-T267 PolarHBondContact O-N 2.85Å; G265-I268 PolarHBondContact O-N 2.76Å; G265-A269 PolarHBondContact O-N 3.5Å; G265-V320 VanDerWaalsContact O-CG1 3.28Å; G265-V320 WeakPolarHBondContact O-CG1 3.4Å |
| 266 | E | 98.5 | Very high | 96.8 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 14% | 0.14 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -36.1 | 177.5 | -62.6 | -170.2 | 132.2 | 0 | 0 | 111.9 | I262 A269 L270 V316 V320 W346 K349 | I262-E266 HydrophobicContact CG2-CG 4.48Å; I262-E266 WeakPolarHBondContact O-CG 3.48Å; I262-E266 PolarHBondContact O-N 3.03Å; E266-A269 PolarHBondContact O-N 3.25Å; E266-L270 WeakPolarHBondContact O-CB 3.47Å; E266-L270 PolarHBondContact O-N 3.24Å; E266-V316 HydrophobicContact CG-CG1 3.74Å; E266-V320 HydrophobicContact CG-CG2 4.39Å; E266-W346 HydrophobicContact CB-CE3 4.43Å; E266-W346 HydrophobicContact CB-CZ3 3.98Å; E266-W346 HydrophobicContact CG-CH2 4.48Å; E266-W346 HydrophobicContact CG-CZ3 3.79Å; E266-K349 IonicContact OE1-NZ 3.55Å; E266-K349 PolarHBondContact OE1-NZ 2.85Å |
| 267 | T | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.3 | -37.9 | 174.7 | -55 | 0 | 0 | 0 | 0 | 111.8 | L223 W226 A227 L249 A263 A264 G265 L270 L271 | L223-T267 HydrophobicContact CD1-CG2 4.1Å; W226-T267 HydrophobicContact CE3-CG2 4.16Å; W226-T267 HydrophobicContact CZ3-CG2 3.76Å; A227-T267 HydrophobicContact CB-CG2 3.98Å; L249-T267 HydrophobicContact CD1-CG2 4.03Å; A263-T267 VanDerWaalsContact O-CB 3.29Å; A263-T267 WeakPolarHBondContact O-CB 3.22Å; A263-T267 PolarHBondContact O-N 3.21Å; A263-T267 PolarHBondContact O-OG1 2.74Å; A264-T267 PolarHBondContact O-N 3.35Å; G265-T267 VanDerWaalsContact C-N 3.32Å; G265-T267 PolarHBondContact O-N 2.85Å; T267-L270 PolarHBondContact O-N 2.92Å; T267-L271 HydrophobicContact CG2-CD1 4.37Å; T267-L271 WeakPolarHBondContact O-CB 3.34Å; T267-L271 WeakPolarHBondContact O-CG 3.41Å; T267-L271 PolarHBondContact O-N 2.79Å |
| 268 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 174 | -71.8 | 163.7 | 0 | 0 | 0 | 110.1 | L246 L249 L253 A264 G265 L270 L271 F272 L290 V324 | L246-I268 HydrophobicContact CD1-CG1 4.39Å; L246-I268 HydrophobicContact CD1-CG2 4.27Å; L249-I268 HydrophobicContact CB-CD1 4.11Å; L249-I268 HydrophobicContact CB-CG1 3.92Å; L249-I268 HydrophobicContact CD1-CG1 4.43Å; L253-I268 HydrophobicContact CD1-CD1 3.99Å; L253-I268 HydrophobicContact CD2-CD1 4.21Å; L253-I268 HydrophobicContact CG-CD1 4.17Å; A264-I268 WeakPolarHBondContact O-CB 3.3Å; A264-I268 WeakPolarHBondContact O-CD1 3.31Å; A264-I268 WeakPolarHBondContact O-CG1 3.16Å; A264-I268 PolarHBondContact O-N 3.4Å; G265-I268 PolarHBondContact O-N 2.76Å; I268-L270 VanDerWaalsContact C-N 3.33Å; I268-L270 PolarHBondContact O-N 2.77Å; I268-L271 PolarHBondContact O-N 3.31Å; I268-L271 VanDerWaalsContact O-N 3.17Å; I268-F272 HydrophobicContact CG2-CD2 3.83Å; I268-F272 HydrophobicContact CG2-CE2 3.94Å; I268-F272 WeakPolarHBondContact O-CD2 3.28Å; I268-F272 PolarHBondContact O-N 2.93Å; I268-L290 HydrophobicContact CD1-CD1 4.26Å; I268-L290 HydrophobicContact CG2-CD1 4.39Å; I268-L290 HydrophobicContact CG2-CD2 3.92Å; I268-V324 HydrophobicContact CG2-CG2 4.05Å |
| 269 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | G265 E266 L271 F272 E273 V320 A323 W346 | G265-A269 PolarHBondContact O-N 3.5Å; E266-A269 PolarHBondContact O-N 3.25Å; A269-L271 PolarHBondContact O-N 2.85Å; A269-F272 PolarHBondContact O-N 3.49Å; A269-E273 PolarHBondContact O-N 2.92Å; A269-V320 HydrophobicContact CB-CG1 4.25Å; A269-V320 HydrophobicContact CB-CG2 4.31Å; A269-A323 HydrophobicContact CB-CB 3.97Å; A269-W346 HydrophobicContact CB-CD2 3.61Å; A269-W346 VanDerWaalsContact CB-CE2 3.41Å; A269-W346 HydrophobicContact CB-CE3 4.05Å; A269-W346 HydrophobicContact CB-CG 4.06Å; A269-W346 HydrophobicContact CB-CH2 4.13Å; A269-W346 HydrophobicContact CB-CZ2 3.7Å; A269-W346 HydrophobicContact CB-CZ3 4.29Å |
| 270 | L | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 173.4 | 175.6 | 64.8 | 0 | 0 | 0 | 112.3 | A227 L230 T231 E266 T267 I268 F272 E273 L274 W346 V347 R350 | A227-L270 HydrophobicContact CB-CD2 4.06Å; A227-L270 WeakPolarHBondContact O-CD2 3.43Å; L230-L270 HydrophobicContact CB-CD2 4.38Å; T231-L270 HydrophobicContact CG2-CD1 4.35Å; T231-L270 HydrophobicContact CG2-CD2 4.34Å; E266-L270 WeakPolarHBondContact O-CB 3.47Å; E266-L270 PolarHBondContact O-N 3.24Å; T267-L270 PolarHBondContact O-N 2.92Å; I268-L270 VanDerWaalsContact C-N 3.33Å; I268-L270 PolarHBondContact O-N 2.77Å; L270-F272 PolarHBondContact O-N 3.29Å; L270-E273 PolarHBondContact O-N 3.42Å; L270-L274 HydrophobicContact CD1-CD1 4.01Å; L270-L274 HydrophobicContact CD1-CG 4.14Å; L270-L274 HydrophobicContact CG-CD1 3.97Å; L270-L274 HydrophobicContact CG-CG 4.47Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.3Å; L270-L274 PolarHBondContact O-N 2.86Å; L270-W346 HydrophobicContact CB-CB 4.18Å; L270-W346 HydrophobicContact CD1-CB 4.11Å; L270-V347 HydrophobicContact CD1-CB 4.24Å; L270-V347 HydrophobicContact CD1-CG2 3.49Å; L270-V347 VanDerWaalsContact CD1-CG2 3.49Å; L270-R350 HydrophobicContact CD2-CG 4.48Å |
| 271 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 178.3 | -77.7 | 172 | 0 | 0 | 0 | 112.4 | L230 V241 L242 L246 L249 T267 I268 A269 A275 | L230-L271 HydrophobicContact CD1-CD2 3.61Å; L230-L271 HydrophobicContact CD1-CG 4.09Å; L230-L271 HydrophobicContact CD2-CD2 4.49Å; V241-L271 HydrophobicContact CG1-CD2 3.94Å; L242-L271 HydrophobicContact CD2-CB 3.93Å; L242-L271 HydrophobicContact CD2-CD2 3.97Å; L242-L271 HydrophobicContact CD2-CG 4.45Å; L246-L271 HydrophobicContact CD1-CB 4.24Å; L246-L271 HydrophobicContact CD1-CD1 4.11Å; L249-L271 HydrophobicContact CD1-CD1 3.46Å; L249-L271 VanDerWaalsContact CD1-CD1 3.46Å; T267-L271 HydrophobicContact CG2-CD1 4.37Å; T267-L271 WeakPolarHBondContact O-CB 3.34Å; T267-L271 WeakPolarHBondContact O-CG 3.41Å; T267-L271 PolarHBondContact O-N 2.79Å; I268-L271 PolarHBondContact O-N 3.31Å; I268-L271 VanDerWaalsContact O-N 3.17Å; A269-L271 PolarHBondContact O-N 2.85Å; L271-A275 WeakPolarHBondContact O-CB 3.36Å; L271-A275 PolarHBondContact O-N 3.04Å |
| 272 | F | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -41 | 174.8 | -94.5 | -98 | 0 | 0 | 0 | 112.1 | L246 I268 A269 L270 R276 F282 F284 L290 V324 | L246-F272 HydrophobicContact CD1-CD2 4.21Å; L246-F272 HydrophobicContact CD1-CE2 3.97Å; L246-F272 HydrophobicContact CD2-CE2 4.01Å; L246-F272 HydrophobicContact CG-CE2 4.42Å; I268-F272 HydrophobicContact CG2-CD2 3.83Å; I268-F272 HydrophobicContact CG2-CE2 3.94Å; I268-F272 WeakPolarHBondContact O-CD2 3.28Å; I268-F272 PolarHBondContact O-N 2.93Å; A269-F272 PolarHBondContact O-N 3.49Å; L270-F272 PolarHBondContact O-N 3.29Å; F272-R276 WeakPolarHBondContact O-CB 3.49Å; F272-R276 VanDerWaalsContact O-CG 3.27Å; F272-R276 WeakPolarHBondContact O-CG 3.46Å; F272-R276 PolarHBondContact O-N 3.07Å; F272-F282 HydrophobicContact CD1-CD1 4.38Å; F272-F282 HydrophobicContact CD1-CE1 4.04Å; F272-F282 HydrophobicContact CE1-CD1 4.48Å; F272-F282 AromaticContact CE1-CE1 3.93Å; F272-F282 HydrophobicContact CE1-CE1 3.93Å; F272-F282 HydrophobicContact CZ-CE1 4.35Å; F272-F284 HydrophobicContact CE1-CB 4.32Å; F272-F284 HydrophobicContact CZ-CB 3.96Å; F272-F284 AromaticContact CZ-CD1 3.92Å; F272-F284 HydrophobicContact CZ-CD1 3.92Å; F272-F284 HydrophobicContact CZ-CG 4.09Å; F272-L290 HydrophobicContact CE2-CD2 3.49Å; F272-L290 VanDerWaalsContact CE2-CD2 3.49Å; F272-L290 HydrophobicContact CZ-CD2 3.74Å; F272-V324 HydrophobicContact CD1-CG1 4.25Å; F272-V324 HydrophobicContact CD2-CG1 4.47Å; F272-V324 HydrophobicContact CD2-CG2 4.04Å; F272-V324 HydrophobicContact CE1-CG1 3.92Å; F272-V324 HydrophobicContact CE2-CG1 4.16Å; F272-V324 HydrophobicContact CE2-CG2 4.38Å; F272-V324 HydrophobicContact CG-CG2 4.18Å; F272-V324 HydrophobicContact CZ-CG1 3.87Å |
| 273 | E | 97.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -55.8 | 172.8 | 179.5 | 175.4 | 104.1 | 0 | 0 | 110.6 | A269 L270 A275 R276 D277 S345 W346 V347 | A269-E273 PolarHBondContact O-N 2.92Å; L270-E273 PolarHBondContact O-N 3.42Å; E273-A275 VanDerWaalsContact C-N 3.3Å; E273-A275 PolarHBondContact O-N 3.35Å; E273-R276 PolarHBondContact O-N 3.45Å; E273-R276 VanDerWaalsContact O-N 3.13Å; E273-D277 PolarHBondContact O-N 3.15Å; E273-S345 WeakPolarHBondContact OE1-CB 3.5Å; E273-W346 VanDerWaalsContact CD-N 3.34Å; E273-W346 PolarHBondContact OE1-N 2.73Å; E273-W346 VanDerWaalsContact OE1-N 3.1Å; E273-W346 WeakPolarHBondContact OE2-CB 3.28Å; E273-W346 VanDerWaalsContact OE2-CD1 3.24Å; E273-W346 PolarHBondContact OE2-N 2.95Å; E273-V347 WeakPolarHBondContact OE1-CG2 3.28Å; E273-V347 PolarHBondContact OE1-N 2.83Å |
| 274 | L | 96.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -36.7 | 179.6 | -69.6 | 174.3 | 0 | 0 | 0 | 113.1 | L230 L238 L270 I278 V347 | L230-L274 HydrophobicContact CB-CD1 4.01Å; L238-L274 HydrophobicContact CD1-CB 4.19Å; L238-L274 HydrophobicContact CD1-CD1 4.29Å; L238-L274 HydrophobicContact CD1-CD2 4.43Å; L238-L274 HydrophobicContact CD2-CB 4.46Å; L238-L274 HydrophobicContact CD2-CD1 3.86Å; L270-L274 HydrophobicContact CD1-CD1 4.01Å; L270-L274 HydrophobicContact CD1-CG 4.14Å; L270-L274 HydrophobicContact CG-CD1 3.97Å; L270-L274 HydrophobicContact CG-CG 4.47Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.3Å; L270-L274 PolarHBondContact O-N 2.86Å; L274-I278 WeakPolarHBondContact O-CD1 3.24Å; L274-I278 VanDerWaalsContact O-CG1 3.3Å; L274-I278 WeakPolarHBondContact O-CG1 3.32Å; L274-I278 PolarHBondContact O-N 3.37Å; L274-V347 HydrophobicContact CD2-CG2 3.63Å; L274-V347 HydrophobicContact CG-CG2 4.21Å |
| 275 | A | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L242 L271 E273 I278 D279 F282 | L242-A275 HydrophobicContact CD1-CB 3.66Å; L242-A275 HydrophobicContact CD2-CB 3.98Å; L242-A275 HydrophobicContact CG-CB 4.49Å; L271-A275 WeakPolarHBondContact O-CB 3.36Å; L271-A275 PolarHBondContact O-N 3.04Å; E273-A275 VanDerWaalsContact C-N 3.3Å; E273-A275 PolarHBondContact O-N 3.35Å; A275-I278 PolarHBondContact O-N 3.35Å; A275-D279 PolarHBondContact O-N 2.88Å; A275-F282 HydrophobicContact CB-CB 4.34Å; A275-F282 HydrophobicContact CB-CD1 3.68Å; A275-F282 HydrophobicContact CB-CD2 3.76Å; A275-F282 HydrophobicContact CB-CE1 3.83Å; A275-F282 HydrophobicContact CB-CE2 3.91Å; A275-F282 HydrophobicContact CB-CG 3.64Å; A275-F282 HydrophobicContact CB-CZ 3.94Å |
| 276 | R | 95.8 | Very high | 95.5 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.5 | -30.2 | 179 | -72.3 | 171.5 | -179 | 149.3 | -4.3 | 113.3 | F272 E273 I278 D279 S280 F282 A323 V324 G327 | F272-R276 WeakPolarHBondContact O-CB 3.49Å; F272-R276 VanDerWaalsContact O-CG 3.27Å; F272-R276 WeakPolarHBondContact O-CG 3.46Å; F272-R276 PolarHBondContact O-N 3.07Å; E273-R276 PolarHBondContact O-N 3.45Å; E273-R276 VanDerWaalsContact O-N 3.13Å; R276-I278 VanDerWaalsContact C-N 3.29Å; R276-D279 WeakPolarHBondContact CA-O 3.47Å; R276-D279 CarbonylContact O-C 3.55Å; R276-D279 VanDerWaalsContact O-C 3.28Å; R276-S280 WeakPolarHBondContact O-CA 3.44Å; R276-S280 PolarHBondContact O-N 2.85Å; R276-F282 HydrophobicContact CG-CB 4.28Å; R276-A323 PolarHBondContact NH1-O 2.93Å; R276-V324 PolarHBondContact NH2-O 2.91Å; R276-G327 VanDerWaalsContact NH1-CA 3.32Å |
| 277 | D | 94.3 | Very high | 95.3 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 66% | 0.663 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.3 | -33 | 171.5 | -76.1 | -10 | 0 | 0 | 0 | 111.9 | E273 | E273-D277 PolarHBondContact O-N 3.15Å |
| 278 | I | 93.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 65.4 Ų | 65.4 | 29% | 0.292 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -79.7 | -41.4 | 175.7 | -65.6 | 164.4 | 0 | 0 | 0 | 111.4 | A235 L238 L274 A275 R276 | A235-I278 HydrophobicContact CB-CD1 3.92Å; A235-I278 HydrophobicContact CB-CG1 3.86Å; A235-I278 HydrophobicContact CB-CG2 4.17Å; L238-I278 HydrophobicContact CB-CD1 3.65Å; L238-I278 HydrophobicContact CD1-CD1 3.74Å; L238-I278 HydrophobicContact CG-CD1 4.34Å; L274-I278 WeakPolarHBondContact O-CD1 3.24Å; L274-I278 VanDerWaalsContact O-CG1 3.3Å; L274-I278 WeakPolarHBondContact O-CG1 3.32Å; L274-I278 PolarHBondContact O-N 3.37Å; A275-I278 PolarHBondContact O-N 3.35Å; R276-I278 VanDerWaalsContact C-N 3.29Å |
| 279 | D | 94.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 69.9 Ų | 69.9 | 43% | 0.428 | 35% | 0.345 | S | S | . | . | trans | -143.4 | 104.1 | -176.2 | -177.5 | 0.3 | 0 | 0 | 0 | 109.7 | A275 R276 E281 F282 | A275-D279 PolarHBondContact O-N 2.88Å; R276-D279 WeakPolarHBondContact CA-O 3.47Å; R276-D279 CarbonylContact O-C 3.55Å; R276-D279 VanDerWaalsContact O-C 3.28Å; D279-E281 PolarHBondContact O-N 2.94Å; D279-E281 VanDerWaalsContact O-N 3.09Å; D279-E281 PolarHBondContact OD1-N 3.14Å; D279-F282 HydrophobicContact CB-CB 4.49Å; D279-F282 WeakPolarHBondContact O-CB 3.32Å; D279-F282 PolarHBondContact O-N 3.48Å | ||
| 280 | S | 92.5 | Very high | 95 | Very high | 110 Ų | 110 | 69.9 Ų | 69.9 | 77% | 0.769 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.8 | -178.5 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | R276 | R276-S280 WeakPolarHBondContact O-CA 3.44Å; R276-S280 PolarHBondContact O-N 2.85Å |
| 281 | E | 92.4 | Very high | 95 | Very high | 160 Ų | 160 | 70.2 Ų | 70.2 | 75% | 0.748 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 19.3 | 176.4 | -60.2 | -172 | 124.2 | 0 | 0 | 111.9 | D279 E283 | D279-E281 PolarHBondContact O-N 2.94Å; D279-E281 VanDerWaalsContact O-N 3.09Å; D279-E281 PolarHBondContact OD1-N 3.14Å; E281-E283 PolarHBondContact O-N 3.17Å |
| 282 | F | 94.2 | Very high | 94.9 | Very high | 45 Ų | 45 | 75.5 Ų | 75.5 | 20% | 0.197 | 38% | 0.376 | C | S | . | . | trans | -53.7 | 116.7 | 178.6 | 173.8 | -103.5 | 0 | 0 | 0 | 112.1 | L246 F272 A275 R276 D279 F284 | L246-F282 HydrophobicContact CD2-CE1 4.42Å; L246-F282 HydrophobicContact CD2-CZ 3.88Å; F272-F282 HydrophobicContact CD1-CD1 4.38Å; F272-F282 HydrophobicContact CD1-CE1 4.04Å; F272-F282 HydrophobicContact CE1-CD1 4.48Å; F272-F282 AromaticContact CE1-CE1 3.93Å; F272-F282 HydrophobicContact CE1-CE1 3.93Å; F272-F282 HydrophobicContact CZ-CE1 4.35Å; A275-F282 HydrophobicContact CB-CB 4.34Å; A275-F282 HydrophobicContact CB-CD1 3.68Å; A275-F282 HydrophobicContact CB-CD2 3.76Å; A275-F282 HydrophobicContact CB-CE1 3.83Å; A275-F282 HydrophobicContact CB-CE2 3.91Å; A275-F282 HydrophobicContact CB-CG 3.64Å; A275-F282 HydrophobicContact CB-CZ 3.94Å; R276-F282 HydrophobicContact CG-CB 4.28Å; D279-F282 HydrophobicContact CB-CB 4.49Å; D279-F282 WeakPolarHBondContact O-CB 3.32Å; D279-F282 PolarHBondContact O-N 3.48Å; F282-F284 HydrophobicContact CE1-CB 4.16Å; F282-F284 HydrophobicContact CZ-CB 4.24Å | ||
| 283 | E | 90.5 | Very high | 94.9 | Very high | 171 Ų | 171 | 77.3 Ų | 77.3 | 80% | 0.799 | 38% | 0.383 | S | S | * | . | trans | -108.1 | 146.2 | 174.1 | -70.7 | -177.4 | 176.6 | 0 | 0 | 110.9 | E281 | E281-E283 PolarHBondContact O-N 3.17Š| ||
| 284 | F | 93.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | trans | -126.2 | 116.5 | 177.4 | -178 | -118.7 | 0 | 0 | 0 | 110.3 | L246 P247 F272 F282 E286 W287 L290 | L246-F284 HydrophobicContact CB-CE2 4.41Å; L246-F284 HydrophobicContact CD2-CD2 3.63Å; L246-F284 HydrophobicContact CD2-CE2 3.77Å; L246-F284 HydrophobicContact CD2-CG 4.11Å; L246-F284 HydrophobicContact CD2-CZ 4.34Å; L246-F284 HydrophobicContact CG-CD2 4.29Å; L246-F284 HydrophobicContact CG-CE2 3.92Å; L246-F284 HydrophobicContact CG-CZ 4.13Å; P247-F284 HydrophobicContact CG-CE2 4.25Å; P247-F284 HydrophobicContact CG-CZ 4.48Å; F272-F284 HydrophobicContact CE1-CB 4.32Å; F272-F284 HydrophobicContact CZ-CB 3.96Å; F272-F284 AromaticContact CZ-CD1 3.92Å; F272-F284 HydrophobicContact CZ-CD1 3.92Å; F272-F284 HydrophobicContact CZ-CG 4.09Å; F282-F284 HydrophobicContact CE1-CB 4.16Å; F282-F284 HydrophobicContact CZ-CB 4.24Å; F284-E286 VanDerWaalsContact C-N 3.25Å; F284-E286 HydrophobicContact CD1-CB 4.39Å; F284-E286 HydrophobicContact CE1-CB 3.63Å; F284-E286 HydrophobicContact CZ-CB 3.82Å; F284-E286 HydrophobicContact CZ-CG 4.43Å; F284-E286 PolarHBondContact O-N 2.97Å; F284-E286 VanDerWaalsContact O-N 3.15Å; F284-W287 HydrophobicContact CB-CB 4.37Å; F284-W287 HydrophobicContact CD1-CB 4.29Å; F284-W287 WeakPolarHBondContact O-CB 3.42Å; F284-W287 PolarHBondContact O-N 2.87Å; F284-L290 HydrophobicContact CD1-CD2 4.32Å; F284-L290 HydrophobicContact CE1-CB 4.49Å; F284-L290 HydrophobicContact CE1-CD2 4.23Å | ||
| 285 | D | 91.8 | Very high | 94.9 | Very high | 167 Ų | 167 | 78.7 Ų | 78.7 | 89% | 0.893 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -37.6 | -172.4 | -64.6 | -24.8 | 0 | 0 | 0 | 113.5 | W287 | D285-W287 VanDerWaalsContact C-N 3.33Å; D285-W287 PolarHBondContact O-N 3.47Å |
| 286 | E | 93.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 81.3 Ų | 81.3 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 21.3 | -178.4 | -56.8 | 171.5 | 136.5 | 0 | 0 | 112.5 | P247 Q250 F284 E288 E289 L290 | P247-E286 WeakPolarHBondContact CB-OE2 3.46Å; Q250-E286 PolarHBondContact NE2-OE2 2.87Å; F284-E286 VanDerWaalsContact C-N 3.25Å; F284-E286 HydrophobicContact CD1-CB 4.39Å; F284-E286 HydrophobicContact CE1-CB 3.63Å; F284-E286 HydrophobicContact CZ-CB 3.82Å; F284-E286 HydrophobicContact CZ-CG 4.43Å; F284-E286 PolarHBondContact O-N 2.97Å; F284-E286 VanDerWaalsContact O-N 3.15Å; E286-E288 PolarHBondContact O-N 3.32Å; E286-E289 PolarHBondContact O-N 3.39Å; E286-L290 PolarHBondContact O-N 3.38Å |
| 287 | W | 95.1 | Very high | 94.9 | Very high | 96 Ų | 96 | 79 Ų | 79 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57 | -43.6 | -174.7 | 176.6 | 87.6 | 0 | 0 | 0 | 113.4 | F284 D285 E289 L290 C291 V324 E325 | F284-W287 HydrophobicContact CB-CB 4.37Å; F284-W287 HydrophobicContact CD1-CB 4.29Å; F284-W287 WeakPolarHBondContact O-CB 3.42Å; F284-W287 PolarHBondContact O-N 2.87Å; D285-W287 VanDerWaalsContact C-N 3.33Å; D285-W287 PolarHBondContact O-N 3.47Å; W287-E289 PolarHBondContact O-N 2.87Å; W287-L290 PolarHBondContact O-N 3.25Å; W287-C291 PolarHBondContact O-N 3.44Å; W287-C291 PolarHBondContact O-SG 3.17Å; W287-C291 VanDerWaalsContact O-SG 3.36Å; W287-V324 PolarHBondContact NE1-O 3.3Å; W287-E325 HydrophobicContact CZ2-CG 4.17Å |
| 288 | E | 96.2 | Very high | 95 | Very high | 143 Ų | 143 | 73.5 Ų | 73.5 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 178.8 | -67.7 | -172.9 | 176.1 | 0 | 0 | 112.2 | E286 L290 C291 N292 | E286-E288 PolarHBondContact O-N 3.32Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-C291 PolarHBondContact O-N 3.37Å; E288-N292 WeakPolarHBondContact O-CB 3.48Å; E288-N292 VanDerWaalsContact O-CG 3.27Å; E288-N292 PolarHBondContact O-N 3.35Å; E288-N292 PolarHBondContact O-ND2 3.22Å |
| 289 | E | 95.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 74.9 Ų | 74.9 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 177.1 | -174.6 | -179 | 158.3 | 0 | 0 | 110.7 | E286 W287 N292 K293 | E286-E289 PolarHBondContact O-N 3.39Å; W287-E289 PolarHBondContact O-N 2.87Å; E289-N292 PolarHBondContact O-N 2.67Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 3.44Å; E289-K293 WeakPolarHBondContact OE1-CE 3.21Å; E289-K293 IonicContact OE1-NZ 2.85Å; E289-K293 PolarHBondContact OE1-NZ 3.02Å |
| 290 | L | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -51.9 | 176.6 | 176.8 | 55.4 | 0 | 0 | 0 | 111.4 | Q250 L253 I268 F272 F284 E286 W287 E288 N292 K293 L294 V324 | Q250-L290 HydrophobicContact CG-CD1 4.02Å; L253-L290 HydrophobicContact CD1-CD1 3.84Å; I268-L290 HydrophobicContact CD1-CD1 4.26Å; I268-L290 HydrophobicContact CG2-CD1 4.39Å; I268-L290 HydrophobicContact CG2-CD2 3.92Å; F272-L290 HydrophobicContact CE2-CD2 3.49Å; F272-L290 VanDerWaalsContact CE2-CD2 3.49Å; F272-L290 HydrophobicContact CZ-CD2 3.74Å; F284-L290 HydrophobicContact CD1-CD2 4.32Å; F284-L290 HydrophobicContact CE1-CB 4.49Å; F284-L290 HydrophobicContact CE1-CD2 4.23Å; E286-L290 PolarHBondContact O-N 3.38Å; W287-L290 PolarHBondContact O-N 3.25Å; E288-L290 VanDerWaalsContact C-N 3.35Å; L290-N292 VanDerWaalsContact C-N 3.27Å; L290-N292 PolarHBondContact O-N 2.97Å; L290-K293 WeakPolarHBondContact O-CB 3.29Å; L290-K293 PolarHBondContact O-N 2.84Å; L290-K293 VanDerWaalsContact O-N 3.08Å; L290-L294 HydrophobicContact CD1-CD1 3.87Å; L290-L294 HydrophobicContact CD1-CD2 4.27Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CG-CD1 3.86Å; L290-L294 HydrophobicContact CG-CG 4.27Å; L290-L294 VanDerWaalsContact O-CG 3.31Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 2.94Å; L290-V324 HydrophobicContact CD2-CG1 3.94Å; L290-V324 HydrophobicContact CG-CG1 4.38Å |
| 291 | C | 97.6 | Very high | 94.5 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 179.6 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | W287 E288 K293 L294 N295 L321 | W287-C291 PolarHBondContact O-N 3.44Å; W287-C291 PolarHBondContact O-SG 3.17Å; W287-C291 VanDerWaalsContact O-SG 3.36Å; E288-C291 PolarHBondContact O-N 3.37Å; C291-K293 PolarHBondContact O-N 3.49Å; C291-L294 PolarHBondContact O-N 2.87Å; C291-N295 VanDerWaalsContact O-CB 3.26Å; C291-N295 WeakPolarHBondContact O-CB 3.47Å; C291-N295 PolarHBondContact O-N 3.26Å; C291-L321 HydrophobicContact CB-CD1 4.36Å |
| 292 | N | 96.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 67.2 Ų | 67.2 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 174.3 | -75.7 | -42.4 | 0 | 0 | 0 | 112.4 | E288 E289 L290 A296 | E288-N292 WeakPolarHBondContact O-CB 3.48Å; E288-N292 VanDerWaalsContact O-CG 3.27Å; E288-N292 PolarHBondContact O-N 3.35Å; E288-N292 PolarHBondContact O-ND2 3.22Å; E289-N292 PolarHBondContact O-N 2.67Å; L290-N292 VanDerWaalsContact C-N 3.27Å; L290-N292 PolarHBondContact O-N 2.97Å; N292-A296 WeakPolarHBondContact O-CB 3.25Å; N292-A296 PolarHBondContact O-N 3.46Å |
| 293 | K | 96.6 | Very high | 93.8 | Very high | 40 Ų | 40 | 74.3 Ų | 74.3 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 176.3 | -70.5 | 178.8 | -174.3 | -176.4 | 0 | 111.9 | L253 E254 E289 L290 C291 A296 L297 | L253-K293 HydrophobicContact CD1-CB 4.25Å; E254-K293 WeakPolarHBondContact OE1-CE 3.35Å; E254-K293 IonicContact OE1-NZ 3.28Å; E254-K293 PolarHBondContact OE1-NZ 3.15Å; E289-K293 WeakPolarHBondContact O-CG 3.48Å; E289-K293 PolarHBondContact O-N 3.44Å; E289-K293 WeakPolarHBondContact OE1-CE 3.21Å; E289-K293 IonicContact OE1-NZ 2.85Å; E289-K293 PolarHBondContact OE1-NZ 3.02Å; L290-K293 WeakPolarHBondContact O-CB 3.29Å; L290-K293 PolarHBondContact O-N 2.84Å; L290-K293 VanDerWaalsContact O-N 3.08Å; C291-K293 PolarHBondContact O-N 3.49Å; K293-A296 PolarHBondContact O-N 3.26Å; K293-L297 WeakPolarHBondContact O-CG 3.35Å; K293-L297 PolarHBondContact O-N 2.92Å; K293-L297 VanDerWaalsContact O-N 3.14Å |
| 294 | L | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 178.7 | -66 | 176.5 | 0 | 0 | 0 | 111.4 | L253 L290 C291 A296 L297 A298 F317 V320 L321 V324 | L253-L294 HydrophobicContact CD1-CD2 3.83Å; L253-L294 HydrophobicContact CD1-CG 4.49Å; L253-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD1-CD1 3.87Å; L290-L294 HydrophobicContact CD1-CD2 4.27Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CG-CD1 3.86Å; L290-L294 HydrophobicContact CG-CG 4.27Å; L290-L294 VanDerWaalsContact O-CG 3.31Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 2.94Å; C291-L294 PolarHBondContact O-N 2.87Å; L294-A296 PolarHBondContact O-N 3.37Å; L294-L297 PolarHBondContact O-N 3.35Å; L294-A298 WeakPolarHBondContact O-CB 3.17Å; L294-A298 PolarHBondContact O-N 3.36Å; L294-F317 HydrophobicContact CD2-CD1 3.66Å; L294-F317 HydrophobicContact CD2-CE1 3.6Å; L294-V320 HydrophobicContact CD1-CG1 4.12Å; L294-V320 HydrophobicContact CD2-CG1 3.71Å; L294-L321 HydrophobicContact CB-CB 4.26Å; L294-L321 HydrophobicContact CB-CD1 3.78Å; L294-L321 HydrophobicContact CD1-CD1 4.46Å; L294-V324 HydrophobicContact CD1-CB 3.94Å; L294-V324 HydrophobicContact CD1-CG1 4.14Å; L294-V324 HydrophobicContact CD1-CG2 3.82Å |
| 295 | N | 97.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 76.2 Ų | 76.2 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.8 | -177.2 | 41.6 | 0 | 0 | 0 | 112.4 | C291 L297 A298 T299 L321 | C291-N295 VanDerWaalsContact O-CB 3.26Å; C291-N295 WeakPolarHBondContact O-CB 3.47Å; C291-N295 PolarHBondContact O-N 3.26Å; N295-L297 VanDerWaalsContact C-N 3.27Å; N295-L297 PolarHBondContact O-N 3.36Å; N295-A298 PolarHBondContact O-N 2.95Å; N295-T299 PolarHBondContact O-N 3.17Å; N295-T299 PolarHBondContact O-OG1 3.47Å; N295-L321 HydrophobicContact CB-CD2 4.02Å |
| 296 | A | 96.3 | Very high | 93.1 | Very high | 58 Ų | 58 | 70.6 Ų | 70.6 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N292 K293 L294 D300 | N292-A296 WeakPolarHBondContact O-CB 3.25Å; N292-A296 PolarHBondContact O-N 3.46Å; K293-A296 PolarHBondContact O-N 3.26Å; L294-A296 PolarHBondContact O-N 3.37Å; A296-D300 WeakPolarHBondContact O-CA 3.45Å; A296-D300 PolarHBondContact O-N 3.15Å; A296-D300 VanDerWaalsContact O-N 3.1Å |
| 297 | L | 96.7 | Very high | 92.9 | Very high | 15 Ų | 15 | 75.9 Ų | 75.9 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.2 | -33.6 | 176.6 | -66.7 | 171.1 | 0 | 0 | 0 | 113 | L253 K293 L294 N295 T299 D300 Q313 F317 | L253-L297 HydrophobicContact CB-CD1 3.92Å; L253-L297 HydrophobicContact CD2-CD1 4.24Å; K293-L297 WeakPolarHBondContact O-CG 3.35Å; K293-L297 PolarHBondContact O-N 2.92Å; K293-L297 VanDerWaalsContact O-N 3.14Å; L294-L297 PolarHBondContact O-N 3.35Å; N295-L297 VanDerWaalsContact C-N 3.27Å; N295-L297 PolarHBondContact O-N 3.36Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.42Å; L297-D300 WeakPolarHBondContact O-CB 3.3Å; L297-D300 PolarHBondContact O-N 3.48Å; L297-Q313 PolarHBondContact O-NE2 3.33Å; L297-F317 HydrophobicContact CB-CB 4.05Å; L297-F317 HydrophobicContact CB-CD1 3.83Å; L297-F317 HydrophobicContact CB-CD2 3.76Å; L297-F317 HydrophobicContact CB-CE1 4.21Å; L297-F317 HydrophobicContact CB-CE2 4.12Å; L297-F317 HydrophobicContact CB-CG 3.58Å; L297-F317 HydrophobicContact CB-CZ 4.32Å; L297-F317 HydrophobicContact CD1-CD1 4.02Å; L297-F317 HydrophobicContact CD1-CD2 4.4Å; L297-F317 HydrophobicContact CD1-CE1 3.53Å; L297-F317 HydrophobicContact CD1-CE2 3.93Å; L297-F317 HydrophobicContact CD1-CG 4.41Å; L297-F317 HydrophobicContact CD1-CZ 3.46Å; L297-F317 VanDerWaalsContact CD1-CZ 3.46Å; L297-F317 HydrophobicContact CG-CZ 4.46Å |
| 298 | A | 96.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 75.6 Ų | 75.6 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.8 | -28.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L294 N295 R314 F317 R318 | L294-A298 WeakPolarHBondContact O-CB 3.17Å; L294-A298 PolarHBondContact O-N 3.36Å; N295-A298 PolarHBondContact O-N 2.95Å; A298-R314 WeakPolarHBondContact O-CB 3.22Å; A298-R314 WeakPolarHBondContact O-CD 3.29Å; A298-R314 WeakPolarHBondContact O-CG 3.49Å; A298-F317 HydrophobicContact CB-CB 4Å; A298-R318 HydrophobicContact CB-CG 4.05Å |
| 299 | T | 95.1 | Very high | 92.4 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 11.3 | 179.5 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | N295 L297 C301 | N295-T299 PolarHBondContact O-N 3.17Å; N295-T299 PolarHBondContact O-OG1 3.47Å; L297-T299 VanDerWaalsContact C-N 3.29Å; L297-T299 PolarHBondContact O-N 3.42Å; T299-C301 PolarHBondContact O-N 2.89Å; T299-C301 VanDerWaalsContact O-N 3.11Å |
| 300 | D | 89.1 | Confident | 92.2 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | trans | -46 | 115.1 | -170.1 | -172.6 | -9.1 | 0 | 0 | 0 | 113.3 | A296 L297 N302 R305 Q313 R314 | A296-D300 WeakPolarHBondContact O-CA 3.45Å; A296-D300 PolarHBondContact O-N 3.15Å; A296-D300 VanDerWaalsContact O-N 3.1Å; L297-D300 WeakPolarHBondContact O-CB 3.3Å; L297-D300 PolarHBondContact O-N 3.48Å; D300-N302 WeakPolarHBondContact OD1-CB 3.12Å; D300-N302 PolarHBondContact OD1-N 3.1Å; D300-R305 VanDerWaalsContact OD2-CD 3.28Å; D300-R305 WeakPolarHBondContact OD2-CD 3.39Å; D300-R305 IonicContact OD2-CZ 3.71Å; D300-R305 IonicContact OD2-NE 3.84Å; D300-R305 IonicContact OD2-NH1 3.67Å; D300-R305 PolarHBondContact OD2-NH1 3.49Å; D300-Q313 VanDerWaalsContact CB-NE2 3.32Å; D300-Q313 PolarHBondContact OD2-NE2 3.21Å; D300-R314 HydrophobicContact CB-CG 4.23Å; D300-R314 PolarHBondContact O-NH1 3.24Å | ||
| 301 | C | 85.9 | Confident | 91.9 | Very high | 111 Ų | 111 | 75.3 Ų | 75.3 | 75% | 0.75 | 39% | 0.391 | S | S | * | . | trans | -109.7 | 6.2 | -179.9 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | T299 K303 | T299-C301 PolarHBondContact O-N 2.89Å; T299-C301 VanDerWaalsContact O-N 3.11Å; C301-K303 PolarHBondContact O-N 3.39Å; C301-K303 VanDerWaalsContact O-N 3.14Å | ||
| 302 | N | 85.6 | Confident | 91.6 | Very high | 63 Ų | 63 | 78.9 Ų | 78.9 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | trans | -61.4 | 116.7 | -174 | -172.4 | -21.5 | 0 | 0 | 0 | 111.3 | D300 H304 R305 K310 | D300-N302 WeakPolarHBondContact OD1-CB 3.12Å; D300-N302 PolarHBondContact OD1-N 3.1Å; N302-H304 PolarHBondContact O-N 3.48Å; N302-H304 WeakPolarHBondContact OD1-CB 3.2Å; N302-H304 PolarHBondContact OD1-CD2 3.24Å; N302-H304 PolarHBondContact OD1-N 3.19Å; N302-R305 HydrophobicContact CB-CG 4.3Å; N302-R305 PolarHBondContact O-N 3.3Å; N302-K310 VanDerWaalsContact O-CD 3.3Å; N302-K310 WeakPolarHBondContact O-CD 3.48Å; N302-K310 PolarHBondContact O-NZ 3.41Å | ||
| 303 | K | 86 | Confident | 91.4 | Very high | 194 Ų | 194 | 73.6 Ų | 73.6 | 84% | 0.843 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22 | -176.5 | -67.2 | -178.4 | -178.3 | 175.5 | 0 | 113.2 | C301 R305 | C301-K303 PolarHBondContact O-N 3.39Å; C301-K303 VanDerWaalsContact O-N 3.14Å; K303-R305 VanDerWaalsContact C-N 3.3Å; K303-R305 PolarHBondContact O-N 2.86Å |
| 304 | H | 84.8 | Confident | 91.4 | Very high | 184 Ų | 184 | 75.3 Ų | 75.3 | 85% | 0.852 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7.5 | -178.6 | -59.1 | -75.4 | 0 | 0 | 0 | 113.8 | N302 | N302-H304 PolarHBondContact O-N 3.48Å; N302-H304 WeakPolarHBondContact OD1-CB 3.2Å; N302-H304 PolarHBondContact OD1-CD2 3.24Å; N302-H304 PolarHBondContact OD1-N 3.19Å |
| 305 | R | 85.1 | Confident | 91.2 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -93.8 | 145.8 | 175.8 | -66.6 | 179.8 | 175.5 | -167.2 | -6.9 | 111.7 | R261 D300 N302 K303 K310 Q313 | R261-R305 VanDerWaalsContact NH2-NH1 3.18Å; D300-R305 VanDerWaalsContact OD2-CD 3.28Å; D300-R305 WeakPolarHBondContact OD2-CD 3.39Å; D300-R305 IonicContact OD2-CZ 3.71Å; D300-R305 IonicContact OD2-NE 3.84Å; D300-R305 IonicContact OD2-NH1 3.67Å; D300-R305 PolarHBondContact OD2-NH1 3.49Å; N302-R305 HydrophobicContact CB-CG 4.3Å; N302-R305 PolarHBondContact O-N 3.3Å; K303-R305 VanDerWaalsContact C-N 3.3Å; K303-R305 PolarHBondContact O-N 2.86Å; R305-K310 HydrophobicContact CB-CD 4.02Å; R305-K310 HydrophobicContact CB-CG 3.79Å; R305-K310 WeakPolarHBondContact O-CE 3.44Å; R305-K310 PolarHBondContact O-NZ 3.07Å; R305-Q313 VanDerWaalsContact NH1-OE1 3.14Å |
| 306 | A | 89.3 | Confident | 91.2 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | trans | -58.8 | 147.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T308 D309 K310 | A306-T308 PolarHBondContact O-N 3.05Å; A306-D309 HydrophobicContact CB-CB 4.19Å; A306-D309 PolarHBondContact O-N 3.09Å; A306-K310 WeakPolarHBondContact O-CE 3.33Å; A306-K310 WeakPolarHBondContact O-CG 3.44Å; A306-K310 PolarHBondContact O-N 3.24Å | ||
| 307 | K | 89.7 | Confident | 91.3 | Very high | 184 Ų | 184 | 70.8 Ų | 70.8 | 80% | 0.8 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | -175.8 | -175.8 | -179.2 | 177.7 | -176.4 | 0 | 112.2 | R311 | K307-R311 PolarHBondContact O-N 2.94Å; K307-R311 VanDerWaalsContact O-N 3.11Å |
| 308 | T | 91.1 | Very high | 91.3 | Very high | 90 Ų | 90 | 75.8 Ų | 75.8 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.2 | -51.1 | 176.1 | 44.5 | 0 | 0 | 0 | 0 | 110.7 | A306 K310 R311 K312 | A306-T308 PolarHBondContact O-N 3.05Å; T308-K310 PolarHBondContact O-N 3.28Å; T308-R311 WeakPolarHBondContact O-CB 3.27Å; T308-R311 PolarHBondContact O-N 2.65Å; T308-K312 PolarHBondContact O-N 3.07Å |
| 309 | D | 90.3 | Very high | 91.3 | Very high | 62 Ų | 62 | 77.2 Ų | 77.2 | 33% | 0.332 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | -179.4 | -63.2 | -0.8 | 0 | 0 | 0 | 111.6 | V258 A306 R311 K312 Q313 | V258-D309 HydrophobicContact CB-CB 4.4Å; V258-D309 HydrophobicContact CG1-CB 4.28Å; V258-D309 HydrophobicContact CG2-CB 4.15Å; A306-D309 HydrophobicContact CB-CB 4.19Å; A306-D309 PolarHBondContact O-N 3.09Å; D309-R311 VanDerWaalsContact C-N 3.31Å; D309-R311 PolarHBondContact O-N 2.69Å; D309-K312 PolarHBondContact O-N 3.15Å; D309-Q313 WeakPolarHBondContact O-CB 3.48Å; D309-Q313 PolarHBondContact O-N 2.95Å |
| 310 | K | 90.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 174.5 | -77.8 | -175.5 | -70.7 | -155.9 | 0 | 112.7 | N302 R305 A306 T308 R314 | N302-K310 VanDerWaalsContact O-CD 3.3Å; N302-K310 WeakPolarHBondContact O-CD 3.48Å; N302-K310 PolarHBondContact O-NZ 3.41Å; R305-K310 HydrophobicContact CB-CD 4.02Å; R305-K310 HydrophobicContact CB-CG 3.79Å; R305-K310 WeakPolarHBondContact O-CE 3.44Å; R305-K310 PolarHBondContact O-NZ 3.07Å; A306-K310 WeakPolarHBondContact O-CE 3.33Å; A306-K310 WeakPolarHBondContact O-CG 3.44Å; A306-K310 PolarHBondContact O-N 3.24Å; T308-K310 PolarHBondContact O-N 3.28Å; K310-R314 VanDerWaalsContact O-CB 3.27Å; K310-R314 WeakPolarHBondContact O-CB 3.33Å; K310-R314 WeakPolarHBondContact O-CG 3.46Å; K310-R314 PolarHBondContact O-N 3.14Å |
| 311 | R | 91.8 | Very high | 91.9 | Very high | 139 Ų | 139 | 73.3 Ų | 73.3 | 53% | 0.525 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 178.2 | -177.1 | -177.3 | 176.3 | -168.7 | -2.5 | 110.6 | K307 T308 D309 S315 | K307-R311 PolarHBondContact O-N 2.94Å; K307-R311 VanDerWaalsContact O-N 3.11Å; T308-R311 WeakPolarHBondContact O-CB 3.27Å; T308-R311 PolarHBondContact O-N 2.65Å; D309-R311 VanDerWaalsContact C-N 3.31Å; D309-R311 PolarHBondContact O-N 2.69Å; R311-S315 PolarHBondContact O-N 3.15Å; R311-S315 VanDerWaalsContact O-N 3.17Å |
| 312 | K | 90.9 | Very high | 92.4 | Very high | 84 Ų | 84 | 72.2 Ų | 72.2 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -54.5 | 177.9 | -172.6 | -177 | 178.7 | -175.6 | 0 | 110.7 | I27 I262 T308 D309 R314 S315 V316 | I27-K312 HydrophobicContact CD1-CB 4.17Å; I262-K312 HydrophobicContact CD1-CD 3.89Å; I262-K312 HydrophobicContact CD1-CG 3.88Å; T308-K312 PolarHBondContact O-N 3.07Å; D309-K312 PolarHBondContact O-N 3.15Å; K312-R314 PolarHBondContact O-N 2.93Å; K312-S315 WeakPolarHBondContact O-CB 3.43Å; K312-S315 PolarHBondContact O-N 3.13Å; K312-S315 VanDerWaalsContact O-N 3.13Å; K312-V316 PolarHBondContact O-N 3.1Å; K312-V316 VanDerWaalsContact O-N 3.13Å |
| 313 | Q | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.3 | -54.1 | 178.7 | -174.8 | -172.7 | -74.6 | 0 | 0 | 111.8 | V258 R261 L297 D300 R305 D309 S315 V316 F317 | V258-Q313 HydrophobicContact CG2-CB 4.13Å; R261-Q313 VanDerWaalsContact CZ-OE1 3.24Å; L297-Q313 PolarHBondContact O-NE2 3.33Å; D300-Q313 VanDerWaalsContact CB-NE2 3.32Å; D300-Q313 PolarHBondContact OD2-NE2 3.21Å; R305-Q313 VanDerWaalsContact NH1-OE1 3.14Å; D309-Q313 WeakPolarHBondContact O-CB 3.48Å; D309-Q313 PolarHBondContact O-N 2.95Å; Q313-S315 PolarHBondContact O-N 3.29Å; Q313-S315 VanDerWaalsContact O-N 3.16Å; Q313-V316 PolarHBondContact O-N 2.9Å; Q313-F317 HydrophobicContact CB-CD2 4.45Å; Q313-F317 HydrophobicContact CG-CD2 3.37Å; Q313-F317 HydrophobicContact CG-CE2 3.62Å; Q313-F317 WeakPolarHBondContact O-CB 3.36Å; Q313-F317 WeakPolarHBondContact O-CD2 3.34Å; Q313-F317 PolarHBondContact O-N 2.79Å |
| 314 | R | 95.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.5 | -31.1 | -179.5 | -73.3 | -167.4 | -58.4 | -104.1 | -4.7 | 112.9 | A298 D300 K310 K312 R318 | A298-R314 WeakPolarHBondContact O-CB 3.22Å; A298-R314 WeakPolarHBondContact O-CD 3.29Å; A298-R314 WeakPolarHBondContact O-CG 3.49Å; D300-R314 HydrophobicContact CB-CG 4.23Å; D300-R314 PolarHBondContact O-NH1 3.24Å; K310-R314 VanDerWaalsContact O-CB 3.27Å; K310-R314 WeakPolarHBondContact O-CB 3.33Å; K310-R314 WeakPolarHBondContact O-CG 3.46Å; K310-R314 PolarHBondContact O-N 3.14Å; K312-R314 PolarHBondContact O-N 2.93Å; R314-R318 VanDerWaalsContact O-CG 3.31Å; R314-R318 WeakPolarHBondContact O-CG 3.1Å; R314-R318 VanDerWaalsContact O-CZ 3.26Å; R314-R318 PolarHBondContact O-N 2.88Å; R314-R318 PolarHBondContact O-NH1 3.13Å |
| 315 | S | 94.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -57.4 | 175.1 | -155.7 | 0 | 0 | 0 | 0 | 110.6 | R311 K312 Q313 F317 R318 | R311-S315 PolarHBondContact O-N 3.15Å; R311-S315 VanDerWaalsContact O-N 3.17Å; K312-S315 WeakPolarHBondContact O-CB 3.43Å; K312-S315 PolarHBondContact O-N 3.13Å; K312-S315 VanDerWaalsContact O-N 3.13Å; Q313-S315 PolarHBondContact O-N 3.29Å; Q313-S315 VanDerWaalsContact O-N 3.16Å; S315-F317 VanDerWaalsContact C-N 3.33Å; S315-F317 PolarHBondContact O-N 2.97Å; S315-R318 PolarHBondContact O-N 2.77Å |
| 316 | V | 96.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.127 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | -179 | 177 | 0 | 0 | 0 | 0 | 111.4 | I262 E266 K312 Q313 R318 D319 V320 | I262-V316 HydrophobicContact CG2-CG1 4.23Å; I262-V316 HydrophobicContact CG2-CG2 4.33Å; E266-V316 HydrophobicContact CG-CG1 3.74Å; K312-V316 PolarHBondContact O-N 3.1Å; K312-V316 VanDerWaalsContact O-N 3.13Å; Q313-V316 PolarHBondContact O-N 2.9Å; V316-R318 VanDerWaalsContact C-N 3.3Å; V316-R318 PolarHBondContact O-N 3.45Å; V316-D319 PolarHBondContact O-N 3.15Å; V316-V320 HydrophobicContact CG1-CG2 3.96Å; V316-V320 WeakPolarHBondContact O-CG2 3.42Å; V316-V320 PolarHBondContact O-N 2.98Å |
| 317 | F | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.5 | -19.1 | -175 | -82.4 | -76.3 | 0 | 0 | 0 | 114.5 | L253 R261 I262 L294 L297 A298 Q313 S315 D319 V320 L321 | L253-F317 HydrophobicContact CD2-CE1 3.69Å; L253-F317 HydrophobicContact CD2-CZ 3.8Å; R261-F317 HydrophobicContact CB-CE2 4.23Å; R261-F317 HydrophobicContact CB-CZ 4.2Å; R261-F317 VanDerWaalsContact O-CZ 3.25Å; R261-F317 WeakPolarHBondContact O-CZ 3.49Å; I262-F317 HydrophobicContact CG1-CE2 4.34Å; L294-F317 HydrophobicContact CD2-CD1 3.66Å; L294-F317 HydrophobicContact CD2-CE1 3.6Å; L297-F317 HydrophobicContact CB-CB 4.05Å; L297-F317 HydrophobicContact CB-CD1 3.83Å; L297-F317 HydrophobicContact CB-CD2 3.76Å; L297-F317 HydrophobicContact CB-CE1 4.21Å; L297-F317 HydrophobicContact CB-CE2 4.12Å; L297-F317 HydrophobicContact CB-CG 3.58Å; L297-F317 HydrophobicContact CB-CZ 4.32Å; L297-F317 HydrophobicContact CD1-CD1 4.02Å; L297-F317 HydrophobicContact CD1-CD2 4.4Å; L297-F317 HydrophobicContact CD1-CE1 3.53Å; L297-F317 HydrophobicContact CD1-CE2 3.93Å; L297-F317 HydrophobicContact CD1-CG 4.41Å; L297-F317 HydrophobicContact CD1-CZ 3.46Å; L297-F317 VanDerWaalsContact CD1-CZ 3.46Å; L297-F317 HydrophobicContact CG-CZ 4.46Å; A298-F317 HydrophobicContact CB-CB 4Å; Q313-F317 HydrophobicContact CB-CD2 4.45Å; Q313-F317 HydrophobicContact CG-CD2 3.37Å; Q313-F317 HydrophobicContact CG-CE2 3.62Å; Q313-F317 WeakPolarHBondContact O-CB 3.36Å; Q313-F317 WeakPolarHBondContact O-CD2 3.34Å; Q313-F317 PolarHBondContact O-N 2.79Å; S315-F317 VanDerWaalsContact C-N 3.33Å; S315-F317 PolarHBondContact O-N 2.97Å; F317-D319 VanDerWaalsContact C-N 3.35Å; F317-V320 HydrophobicContact CD1-CB 4.44Å; F317-V320 HydrophobicContact CD1-CG1 4.47Å; F317-L321 WeakPolarHBondContact O-CB 3.32Å; F317-L321 PolarHBondContact O-N 2.97Å |
| 318 | R | 97.2 | Very high | 94.3 | Very high | 120 Ų | 120 | 53.8 Ų | 53.8 | 45% | 0.453 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 167.4 | -79 | -172.4 | -55.1 | -90.9 | 1.7 | 111.2 | A298 R314 S315 V316 K322 | A298-R318 HydrophobicContact CB-CG 4.05Å; R314-R318 VanDerWaalsContact O-CG 3.31Å; R314-R318 WeakPolarHBondContact O-CG 3.1Å; R314-R318 VanDerWaalsContact O-CZ 3.26Å; R314-R318 PolarHBondContact O-N 2.88Å; R314-R318 PolarHBondContact O-NH1 3.13Å; S315-R318 PolarHBondContact O-N 2.77Å; V316-R318 VanDerWaalsContact C-N 3.3Å; V316-R318 PolarHBondContact O-N 3.45Å; R318-K322 WeakPolarHBondContact O-CG 3.44Å; R318-K322 PolarHBondContact O-N 3Å |
| 319 | D | 96.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.2 | -42.9 | -179.5 | -53.6 | -27.8 | 0 | 0 | 0 | 110.3 | V316 F317 K322 A323 W346 | V316-D319 PolarHBondContact O-N 3.15Å; F317-D319 VanDerWaalsContact C-N 3.35Å; D319-K322 PolarHBondContact O-N 3.49Å; D319-A323 WeakPolarHBondContact O-CB 3.11Å; D319-A323 PolarHBondContact O-N 3.22Å; D319-W346 HydrophobicContact CB-CH2 4.38Å; D319-W346 HydrophobicContact CB-CZ2 4.37Å |
| 320 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | G265 E266 A269 L294 V316 F317 K322 A323 V324 W346 | G265-V320 VanDerWaalsContact O-CG1 3.28Å; G265-V320 WeakPolarHBondContact O-CG1 3.4Å; E266-V320 HydrophobicContact CG-CG2 4.39Å; A269-V320 HydrophobicContact CB-CG1 4.25Å; A269-V320 HydrophobicContact CB-CG2 4.31Å; L294-V320 HydrophobicContact CD1-CG1 4.12Å; L294-V320 HydrophobicContact CD2-CG1 3.71Å; V316-V320 HydrophobicContact CG1-CG2 3.96Å; V316-V320 WeakPolarHBondContact O-CG2 3.42Å; V316-V320 PolarHBondContact O-N 2.98Å; F317-V320 HydrophobicContact CD1-CB 4.44Å; F317-V320 HydrophobicContact CD1-CG1 4.47Å; V320-K322 PolarHBondContact O-N 3.43Å; V320-A323 WeakPolarHBondContact O-CB 3.21Å; V320-A323 PolarHBondContact O-N 2.9Å; V320-V324 WeakPolarHBondContact O-CG2 3.25Å; V320-V324 PolarHBondContact O-N 2.8Å; V320-W346 HydrophobicContact CG2-CH2 3.64Å; V320-W346 HydrophobicContact CG2-CZ2 4.19Å; V320-W346 HydrophobicContact CG2-CZ3 4.35Å |
| 321 | L | 97.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 178.6 | 177.6 | 64.9 | 0 | 0 | 0 | 110.9 | C291 L294 N295 F317 A323 V324 E325 | C291-L321 HydrophobicContact CB-CD1 4.36Å; L294-L321 HydrophobicContact CB-CB 4.26Å; L294-L321 HydrophobicContact CB-CD1 3.78Å; L294-L321 HydrophobicContact CD1-CD1 4.46Å; N295-L321 HydrophobicContact CB-CD2 4.02Å; F317-L321 WeakPolarHBondContact O-CB 3.32Å; F317-L321 PolarHBondContact O-N 2.97Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.16Å; L321-V324 PolarHBondContact O-N 2.74Å; L321-E325 HydrophobicContact CD1-CG 3.92Å; L321-E325 HydrophobicContact CG-CG 4.35Å; L321-E325 WeakPolarHBondContact O-CB 3.28Å; L321-E325 WeakPolarHBondContact O-CG 3.42Å; L321-E325 PolarHBondContact O-N 2.98Å |
| 322 | K | 96.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.9 | -74.5 | 179.4 | 170.7 | -163.4 | 0 | 112.9 | R318 D319 V320 V324 E325 E326 G327 | R318-K322 WeakPolarHBondContact O-CG 3.44Å; R318-K322 PolarHBondContact O-N 3Å; D319-K322 PolarHBondContact O-N 3.49Å; V320-K322 PolarHBondContact O-N 3.43Å; K322-V324 VanDerWaalsContact C-N 3.29Å; K322-V324 PolarHBondContact O-N 2.85Å; K322-E325 PolarHBondContact O-N 2.65Å; K322-E326 WeakPolarHBondContact O-CA 3.33Å; K322-E326 WeakPolarHBondContact O-CB 3.47Å; K322-E326 PolarHBondContact O-N 2.86Å; K322-G327 PolarHBondContact O-N 3.35Å |
| 323 | A | 96.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A269 R276 D319 V320 L321 G327 D328 W346 | A269-A323 HydrophobicContact CB-CB 3.97Å; R276-A323 PolarHBondContact NH1-O 2.93Å; D319-A323 WeakPolarHBondContact O-CB 3.11Å; D319-A323 PolarHBondContact O-N 3.22Å; V320-A323 WeakPolarHBondContact O-CB 3.21Å; V320-A323 PolarHBondContact O-N 2.9Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.16Å; A323-G327 VanDerWaalsContact O-CA 3.25Å; A323-G327 WeakPolarHBondContact O-CA 2.98Å; A323-G327 PolarHBondContact O-N 2.88Å; A323-G327 VanDerWaalsContact O-N 3.07Å; A323-D328 VanDerWaalsContact CA-O 3.25Å; A323-D328 WeakPolarHBondContact CA-O 3.33Å; A323-D328 WeakPolarHBondContact CB-O 3.29Å; A323-W346 HydrophobicContact CB-CZ2 3.94Å |
| 324 | V | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.7 | -36.8 | 179.5 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | I268 F272 R276 W287 L290 L294 V320 L321 K322 | I268-V324 HydrophobicContact CG2-CG2 4.05Å; F272-V324 HydrophobicContact CD1-CG1 4.25Å; F272-V324 HydrophobicContact CD2-CG1 4.47Å; F272-V324 HydrophobicContact CD2-CG2 4.04Å; F272-V324 HydrophobicContact CE1-CG1 3.92Å; F272-V324 HydrophobicContact CE2-CG1 4.16Å; F272-V324 HydrophobicContact CE2-CG2 4.38Å; F272-V324 HydrophobicContact CG-CG2 4.18Å; F272-V324 HydrophobicContact CZ-CG1 3.87Å; R276-V324 PolarHBondContact NH2-O 2.91Å; W287-V324 PolarHBondContact NE1-O 3.3Å; L290-V324 HydrophobicContact CD2-CG1 3.94Å; L290-V324 HydrophobicContact CG-CG1 4.38Å; L294-V324 HydrophobicContact CD1-CB 3.94Å; L294-V324 HydrophobicContact CD1-CG1 4.14Å; L294-V324 HydrophobicContact CD1-CG2 3.82Å; V320-V324 WeakPolarHBondContact O-CG2 3.25Å; V320-V324 PolarHBondContact O-N 2.8Å; L321-V324 PolarHBondContact O-N 2.74Å; K322-V324 VanDerWaalsContact C-N 3.29Å; K322-V324 PolarHBondContact O-N 2.85Å |
| 325 | E | 95.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -79.6 | -46 | -179.4 | -71.7 | -178.2 | 145.8 | 0 | 0 | 113 | W287 L321 K322 | W287-E325 HydrophobicContact CZ2-CG 4.17Å; L321-E325 HydrophobicContact CD1-CG 3.92Å; L321-E325 HydrophobicContact CG-CG 4.35Å; L321-E325 WeakPolarHBondContact O-CB 3.28Å; L321-E325 WeakPolarHBondContact O-CG 3.42Å; L321-E325 PolarHBondContact O-N 2.98Å; K322-E325 PolarHBondContact O-N 2.65Å |
| 326 | E | 92.6 | Very high | 94.6 | Very high | 134 Ų | 134 | 55.4 Ų | 55.4 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -113 | -11.8 | -165.7 | -58.1 | 176.3 | 175.7 | 0 | 0 | 112.8 | K322 D328 | K322-E326 WeakPolarHBondContact O-CA 3.33Å; K322-E326 WeakPolarHBondContact O-CB 3.47Å; K322-E326 PolarHBondContact O-N 2.86Å; E326-D328 HydrophobicContact CB-CB 4.17Å; E326-D328 PolarHBondContact O-N 3.13Å |
| 327 | G | 91.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | trans | 69.3 | 17.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R276 K322 A323 | R276-G327 VanDerWaalsContact NH1-CA 3.32Å; K322-G327 PolarHBondContact O-N 3.35Å; A323-G327 VanDerWaalsContact O-CA 3.25Å; A323-G327 WeakPolarHBondContact O-CA 2.98Å; A323-G327 PolarHBondContact O-N 2.88Å; A323-G327 VanDerWaalsContact O-N 3.07Å | ||
| 328 | D | 88.1 | Confident | 93.5 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | trans | -88 | 150.1 | -176.4 | -169.5 | 26.1 | 0 | 0 | 0 | 112.1 | A323 E326 | A323-D328 VanDerWaalsContact CA-O 3.25Å; A323-D328 WeakPolarHBondContact CA-O 3.33Å; A323-D328 WeakPolarHBondContact CB-O 3.29Å; E326-D328 HydrophobicContact CB-CB 4.17Å; E326-D328 PolarHBondContact O-N 3.13Å | ||
| 329 | F | 93.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | trans | -130.4 | 126 | 169.9 | -176.8 | -81.8 | 0 | 0 | 0 | 109.2 | S331 I343 D344 S345 W346 K349 | F329-S331 PolarHBondContact O-N 3.38Å; F329-I343 HydrophobicContact CE1-CG2 4.09Å; F329-I343 VanDerWaalsContact CE1-O 3.28Å; F329-I343 WeakPolarHBondContact CE1-O 3.38Å; F329-I343 HydrophobicContact CZ-CG2 3.86Å; F329-D344 WeakPolarHBondContact CB-O 3.5Å; F329-D344 WeakPolarHBondContact CD1-O 3.25Å; F329-D344 WeakPolarHBondContact CG-O 3.48Å; F329-S345 WeakPolarHBondContact CE2-O 3.45Å; F329-W346 AromaticContact CD2-CD1 3.69Å; F329-W346 HydrophobicContact CD2-CD2 4.03Å; F329-W346 AromaticContact CD2-CE2 3.84Å; F329-W346 AromaticContact CD2-CG 3.94Å; F329-W346 HydrophobicContact CD2-CG 3.94Å; F329-W346 AromaticContact CD2-NE1 3.59Å; F329-W346 HydrophobicContact CE2-CD2 4.01Å; F329-W346 HydrophobicContact CE2-CE3 4.43Å; F329-W346 HydrophobicContact CE2-CG 4.18Å; F329-K349 HydrophobicContact CE2-CB 4.05Å; F329-K349 HydrophobicContact CE2-CD 3.89Å; F329-K349 HydrophobicContact CZ-CB 3.98Å; F329-K349 HydrophobicContact CZ-CD 3.93Å; F329-K349 HydrophobicContact CZ-CG 4.41Å | ||
| 330 | Q | 91 | Very high | 93 | Very high | 118 Ų | 118 | 61.9 Ų | 61.9 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | trans | -73.7 | 97.3 | 176.5 | -171.4 | -173.4 | -58.5 | 0 | 0 | 110.2 | E332 | Q330-E332 PolarHBondContact O-N 2.89Š| ||
| 331 | S | 92.3 | Very high | 92.9 | Very high | 74 Ų | 74 | 62 Ų | 62 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | trans | -58.4 | 137.1 | -175.3 | -40.8 | 0 | 0 | 0 | 0 | 113.2 | F329 I343 | F329-S331 PolarHBondContact O-N 3.38Å; S331-I343 CarbonylContact C-O 3.36Å; S331-I343 VanDerWaalsContact CA-O 3.22Å; S331-I343 WeakPolarHBondContact CA-O 3.26Å | ||
| 332 | E | 93.6 | Very high | 92.8 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.3 | 177.1 | -58.8 | -175.6 | -163.3 | 0 | 0 | 109.9 | Q330 T342 I343 | Q330-E332 PolarHBondContact O-N 2.89Å; E332-T342 CarbonylContact O-C 3.55Å; E332-T342 VanDerWaalsContact O-CA 3.31Å; E332-T342 WeakPolarHBondContact O-CA 3.4Å; E332-I343 HydrophobicContact CB-CB 4.37Å; E332-I343 PolarHBondContact N-O 3.43Å; E332-I343 PolarHBondContact O-N 3.07Å |
| 333 | T | 95.7 | Very high | 92.9 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.5 | 177.8 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | R335 R340 M341 | T333-R335 HydrophobicContact CG2-CG 4.43Å; T333-R340 HydrophobicContact CG2-CB 4.01Å; T333-R340 HydrophobicContact CG2-CG 4.49Å; T333-M341 CarbonylContact C-O 3.59Å; T333-M341 WeakPolarHBondContact CA-O 3.25Å |
| 334 | I | 95.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 63.3 Ų | 63.3 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.8 | 171.7 | -50.9 | -57.6 | 0 | 0 | 0 | 108.6 | F336 R340 M341 I343 Y352 L367 | I334-F336 HydrophobicContact CG2-CD1 4.28Å; I334-R340 CarbonylContact O-C 3.51Å; I334-R340 VanDerWaalsContact O-CA 3.26Å; I334-R340 WeakPolarHBondContact O-CA 3.46Å; I334-M341 HydrophobicContact CB-CE 4.34Å; I334-M341 HydrophobicContact CG1-CE 4.15Å; I334-M341 PolarHBondContact N-O 3.42Å; I334-M341 PolarHBondContact O-N 2.73Å; I334-I343 HydrophobicContact CD1-CD1 4.35Å; I334-I343 HydrophobicContact CG1-CD1 3.98Å; I334-I343 HydrophobicContact CG1-CG1 4.36Å; I334-Y352 HydrophobicContact CD1-CE1 4.44Å; I334-Y352 HydrophobicContact CG1-CE2 4.37Å; I334-L367 HydrophobicContact CG2-CD1 4.2Å |
| 335 | R | 93.6 | Very high | 92.9 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.6 | 177.8 | -56.3 | -172.4 | 178 | 179.5 | 0.2 | 109.6 | T333 R340 | T333-R335 HydrophobicContact CG2-CG 4.43Å; R335-R340 HydrophobicContact CG-CG 4Å |
| 336 | F | 90.9 | Very high | 93 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 131.1 | 179.3 | 51 | -90 | 0 | 0 | 0 | 109.2 | I334 T338 E339 M341 N364 L367 Q368 L379 | I334-F336 HydrophobicContact CG2-CD1 4.28Å; F336-T338 PolarHBondContact O-N 2.95Å; F336-E339 HydrophobicContact CD2-CB 3.87Å; F336-E339 HydrophobicContact CE2-CB 3.4Å; F336-E339 VanDerWaalsContact CE2-CB 3.4Å; F336-E339 HydrophobicContact CE2-CG 4.29Å; F336-E339 HydrophobicContact CZ-CB 3.88Å; F336-E339 PolarHBondContact N-O 3.17Å; F336-E339 VanDerWaalsContact N-O 3.13Å; F336-E339 CarbonylContact O-C 3.58Å; F336-E339 PolarHBondContact O-N 3.25Å; F336-E339 VanDerWaalsContact O-O 3.07Å; F336-M341 HydrophobicContact CE1-CB 3.62Å; F336-M341 HydrophobicContact CZ-CB 4.2Å; F336-N364 HydrophobicContact CB-CB 3.96Å; F336-L367 HydrophobicContact CD1-CB 3.99Å; F336-L367 HydrophobicContact CD1-CD1 3.7Å; F336-L367 HydrophobicContact CD1-CG 4.44Å; F336-L367 HydrophobicContact CD2-CB 3.91Å; F336-L367 HydrophobicContact CE1-CB 4.07Å; F336-L367 HydrophobicContact CE1-CD1 3.96Å; F336-L367 HydrophobicContact CE1-CG 4.46Å; F336-L367 HydrophobicContact CE2-CB 3.96Å; F336-L367 HydrophobicContact CG-CB 3.9Å; F336-L367 HydrophobicContact CG-CD1 4.28Å; F336-L367 HydrophobicContact CZ-CB 4.06Å; F336-Q368 HydrophobicContact CB-CG 4.27Å; F336-Q368 HydrophobicContact CD2-CG 3.61Å; F336-Q368 HydrophobicContact CE2-CG 4.49Å; F336-Q368 HydrophobicContact CG-CG 4.39Å; F336-L379 HydrophobicContact CE2-CD1 4.28Å; F336-L379 HydrophobicContact CZ-CD1 3.7Å; F336-L379 HydrophobicContact CZ-CD2 4.26Å |
| 337 | G | 85.4 | Confident | 93.2 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -123.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 338 | T | 85.2 | Confident | 93.5 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 45% | 0.454 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -6.4 | 174.7 | 47.6 | 0 | 0 | 0 | 0 | 113.4 | F336 M390 M393 | F336-T338 PolarHBondContact O-N 2.95Å; T338-M390 HydrophobicContact CG2-CE 4.05Å; T338-M390 HydrophobicContact CG2-SD 3.43Å; T338-M390 WeakPolarHBondContact CG2-SD 3.39Å; T338-M393 HydrophobicContact CG2-SD 4.28Å |
| 339 | E | 90.9 | Very high | 94 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 167.2 | -172.2 | -65.4 | -179.8 | 93.1 | 0 | 0 | 112 | F336 R374 I383 | F336-E339 HydrophobicContact CD2-CB 3.87Å; F336-E339 HydrophobicContact CE2-CB 3.4Å; F336-E339 VanDerWaalsContact CE2-CB 3.4Å; F336-E339 HydrophobicContact CE2-CG 4.29Å; F336-E339 HydrophobicContact CZ-CB 3.88Å; F336-E339 PolarHBondContact N-O 3.17Å; F336-E339 VanDerWaalsContact N-O 3.13Å; F336-E339 CarbonylContact O-C 3.58Å; F336-E339 PolarHBondContact O-N 3.25Å; F336-E339 VanDerWaalsContact O-O 3.07Å; E339-R374 IonicContact OE1-CZ 2.65Å; E339-R374 IonicContact OE1-NH1 3.84Å; E339-R374 PolarHBondContact OE1-NH1 2.82Å; E339-R374 IonicContact OE1-NH2 3.28Å; E339-R374 PolarHBondContact OE1-NH2 3.47Å; E339-R374 IonicContact OE2-CZ 3.46Å; E339-R374 IonicContact OE2-NH1 3.21Å; E339-R374 PolarHBondContact OE2-NH1 3.05Å; E339-R374 IonicContact OE2-NH2 3.7Å; E339-R374 PolarHBondContact OE2-NH2 3.48Å; E339-I383 HydrophobicContact CG-CD1 3.56Å; E339-I383 HydrophobicContact CG-CG1 4.44Å; E339-I383 WeakPolarHBondContact OE1-CD1 3.31Å |
| 340 | R | 93.1 | Very high | 94.2 | Very high | 155 Ų | 155 | 54.8 Ų | 54.8 | 59% | 0.585 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 137.3 | 174.8 | -53.7 | -173 | 177.8 | 164.7 | 4.4 | 109.2 | T333 I334 R335 | T333-R340 HydrophobicContact CG2-CB 4.01Å; T333-R340 HydrophobicContact CG2-CG 4.49Å; I334-R340 CarbonylContact O-C 3.51Å; I334-R340 VanDerWaalsContact O-CA 3.26Å; I334-R340 WeakPolarHBondContact O-CA 3.46Å; R335-R340 HydrophobicContact CG-CG 4Å |
| 341 | M | 95.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.1 | 168 | 177.8 | -179.2 | 72 | 0 | 0 | 108.5 | T333 I334 F336 I343 Y352 L367 F377 L379 | T333-M341 CarbonylContact C-O 3.59Å; T333-M341 WeakPolarHBondContact CA-O 3.25Å; I334-M341 HydrophobicContact CB-CE 4.34Å; I334-M341 HydrophobicContact CG1-CE 4.15Å; I334-M341 PolarHBondContact N-O 3.42Å; I334-M341 PolarHBondContact O-N 2.73Å; F336-M341 HydrophobicContact CE1-CB 3.62Å; F336-M341 HydrophobicContact CZ-CB 4.2Å; M341-I343 HydrophobicContact CE-CD1 4.47Å; M341-I343 HydrophobicContact CE-CG1 4.14Å; M341-Y352 HydrophobicContact CE-CD2 3.54Å; M341-Y352 HydrophobicContact CE-CE2 3.74Å; M341-Y352 HydrophobicContact CE-CG 4.45Å; M341-L367 HydrophobicContact CE-CD1 4.31Å; M341-L367 HydrophobicContact CE-CD2 4.09Å; M341-L367 HydrophobicContact SD-CD2 4Å; M341-F377 HydrophobicContact CE-CD1 4.48Å; M341-F377 HydrophobicContact SD-CB 3.56Å; M341-F377 VanDerWaalsContact SD-CB 3.56Å; M341-F377 HydrophobicContact SD-CD1 3.68Å; M341-F377 HydrophobicContact SD-CD2 4.11Å; M341-F377 HydrophobicContact SD-CE1 4.44Å; M341-F377 HydrophobicContact SD-CG 3.5Å; M341-F377 WeakPolarHBondContact SD-CG 3.46Å; M341-L379 HydrophobicContact CB-CD2 3.97Å; M341-L379 HydrophobicContact CG-CD2 4.04Å; M341-L379 HydrophobicContact SD-CD2 4.32Å |
| 342 | T | 96.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.4 | 169.9 | -53.9 | 0 | 0 | 0 | 0 | 108.4 | E332 D344 R348 | E332-T342 CarbonylContact O-C 3.55Å; E332-T342 VanDerWaalsContact O-CA 3.31Å; E332-T342 WeakPolarHBondContact O-CA 3.4Å; T342-D344 HydrophobicContact CG2-CB 4.07Å; T342-R348 WeakPolarHBondContact O-CD 3.49Å; T342-R348 VanDerWaalsContact O-CZ 3.27Å; T342-R348 PolarHBondContact O-NE 3.29Å; T342-R348 PolarHBondContact O-NH1 3.46Å |
| 343 | I | 97.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.9 | 163.4 | -58.4 | 175.6 | 0 | 0 | 0 | 105.3 | F329 S331 E332 I334 M341 R348 K349 Y352 | F329-I343 HydrophobicContact CE1-CG2 4.09Å; F329-I343 VanDerWaalsContact CE1-O 3.28Å; F329-I343 WeakPolarHBondContact CE1-O 3.38Å; F329-I343 HydrophobicContact CZ-CG2 3.86Å; S331-I343 CarbonylContact C-O 3.36Å; S331-I343 VanDerWaalsContact CA-O 3.22Å; S331-I343 WeakPolarHBondContact CA-O 3.26Å; E332-I343 HydrophobicContact CB-CB 4.37Å; E332-I343 PolarHBondContact N-O 3.43Å; E332-I343 PolarHBondContact O-N 3.07Å; I334-I343 HydrophobicContact CD1-CD1 4.35Å; I334-I343 HydrophobicContact CG1-CD1 3.98Å; I334-I343 HydrophobicContact CG1-CG1 4.36Å; M341-I343 HydrophobicContact CE-CD1 4.47Å; M341-I343 HydrophobicContact CE-CG1 4.14Å; I343-R348 HydrophobicContact CG2-CB 4.41Å; I343-K349 HydrophobicContact CG2-CB 3.69Å; I343-K349 HydrophobicContact CG2-CG 4.42Å; I343-Y352 HydrophobicContact CD1-CD1 3.54Å; I343-Y352 HydrophobicContact CD1-CD2 4.2Å; I343-Y352 HydrophobicContact CD1-CE1 4.01Å; I343-Y352 HydrophobicContact CD1-CG 3.62Å |
| 344 | D | 96 | Very high | 95.2 | Very high | 78 Ų | 78 | 42 Ų | 42 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | trans | -127.3 | 2.4 | -171 | 48.7 | -2 | 0 | 0 | 0 | 113.4 | F329 T342 R348 | F329-D344 WeakPolarHBondContact CB-O 3.5Å; F329-D344 WeakPolarHBondContact CD1-O 3.25Å; F329-D344 WeakPolarHBondContact CG-O 3.48Å; T342-D344 HydrophobicContact CG2-CB 4.07Å; D344-R348 IonicContact OD1-NH1 2.85Å | ||
| 345 | S | 97.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -144.5 | 159.5 | 178.1 | 76.4 | 0 | 0 | 0 | 0 | 112 | E273 F329 V347 R348 K349 | E273-S345 WeakPolarHBondContact OE1-CB 3.5Å; F329-S345 WeakPolarHBondContact CE2-O 3.45Å; S345-V347 VanDerWaalsContact C-N 3.34Å; S345-R348 PolarHBondContact O-N 3.35Å; S345-R348 WeakPolarHBondContact OG-CB 3.31Å; S345-R348 PolarHBondContact OG-N 3.46Å; S345-K349 WeakPolarHBondContact O-CB 3.49Å; S345-K349 PolarHBondContact O-N 3.36Å |
| 346 | W | 97.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -35.6 | 174 | -70.7 | 97.8 | 0 | 0 | 0 | 111.9 | E266 A269 L270 E273 D319 V320 A323 F329 K349 R350 | E266-W346 HydrophobicContact CB-CE3 4.43Å; E266-W346 HydrophobicContact CB-CZ3 3.98Å; E266-W346 HydrophobicContact CG-CH2 4.48Å; E266-W346 HydrophobicContact CG-CZ3 3.79Å; A269-W346 HydrophobicContact CB-CD2 3.61Å; A269-W346 VanDerWaalsContact CB-CE2 3.41Å; A269-W346 HydrophobicContact CB-CE3 4.05Å; A269-W346 HydrophobicContact CB-CG 4.06Å; A269-W346 HydrophobicContact CB-CH2 4.13Å; A269-W346 HydrophobicContact CB-CZ2 3.7Å; A269-W346 HydrophobicContact CB-CZ3 4.29Å; L270-W346 HydrophobicContact CB-CB 4.18Å; L270-W346 HydrophobicContact CD1-CB 4.11Å; E273-W346 VanDerWaalsContact CD-N 3.34Å; E273-W346 PolarHBondContact OE1-N 2.73Å; E273-W346 VanDerWaalsContact OE1-N 3.1Å; E273-W346 WeakPolarHBondContact OE2-CB 3.28Å; E273-W346 VanDerWaalsContact OE2-CD1 3.24Å; E273-W346 PolarHBondContact OE2-N 2.95Å; D319-W346 HydrophobicContact CB-CH2 4.38Å; D319-W346 HydrophobicContact CB-CZ2 4.37Å; V320-W346 HydrophobicContact CG2-CH2 3.64Å; V320-W346 HydrophobicContact CG2-CZ2 4.19Å; V320-W346 HydrophobicContact CG2-CZ3 4.35Å; A323-W346 HydrophobicContact CB-CZ2 3.94Å; F329-W346 AromaticContact CD2-CD1 3.69Å; F329-W346 HydrophobicContact CD2-CD2 4.03Å; F329-W346 AromaticContact CD2-CE2 3.84Å; F329-W346 AromaticContact CD2-CG 3.94Å; F329-W346 HydrophobicContact CD2-CG 3.94Å; F329-W346 AromaticContact CD2-NE1 3.59Å; F329-W346 HydrophobicContact CE2-CD2 4.01Å; F329-W346 HydrophobicContact CE2-CE3 4.43Å; F329-W346 HydrophobicContact CE2-CG 4.18Å; W346-K349 HydrophobicContact CE3-CD 4.13Å; W346-K349 HydrophobicContact CZ3-CD 4.11Å; W346-K349 PolarHBondContact O-N 3.42Å; W346-R350 VanDerWaalsContact O-CB 3.32Å; W346-R350 WeakPolarHBondContact O-CB 3.46Å; W346-R350 PolarHBondContact O-N 3.42Å |
| 347 | V | 97.5 | Very high | 95.8 | Very high | 35 Ų | 35 | 45 Ų | 45 | 21% | 0.212 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.8 | -52.4 | 170.7 | 164.6 | 0 | 0 | 0 | 0 | 110.4 | T231 L270 E273 L274 S345 R350 T351 | T231-V347 HydrophobicContact CG2-CB 4.39Å; T231-V347 HydrophobicContact CG2-CG1 4.09Å; T231-V347 HydrophobicContact CG2-CG2 4.34Å; L270-V347 HydrophobicContact CD1-CB 4.24Å; L270-V347 HydrophobicContact CD1-CG2 3.49Å; L270-V347 VanDerWaalsContact CD1-CG2 3.49Å; E273-V347 WeakPolarHBondContact OE1-CG2 3.28Å; E273-V347 PolarHBondContact OE1-N 2.83Å; L274-V347 HydrophobicContact CD2-CG2 3.63Å; L274-V347 HydrophobicContact CG-CG2 4.21Å; S345-V347 VanDerWaalsContact C-N 3.34Å; V347-R350 PolarHBondContact O-N 3.44Å; V347-T351 WeakPolarHBondContact O-CB 3.22Å; V347-T351 PolarHBondContact O-N 2.8Å; V347-T351 PolarHBondContact O-OG1 3.27Å |
| 348 | R | 97.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.3 | -38.5 | -177.3 | -162.2 | 168.8 | -169.2 | 163.1 | 8.4 | 111.4 | T342 I343 D344 S345 Y352 F377 | T342-R348 WeakPolarHBondContact O-CD 3.49Å; T342-R348 VanDerWaalsContact O-CZ 3.27Å; T342-R348 PolarHBondContact O-NE 3.29Å; T342-R348 PolarHBondContact O-NH1 3.46Å; I343-R348 HydrophobicContact CG2-CB 4.41Å; D344-R348 IonicContact OD1-NH1 2.85Å; S345-R348 PolarHBondContact O-N 3.35Å; S345-R348 WeakPolarHBondContact OG-CB 3.31Å; S345-R348 PolarHBondContact OG-N 3.46Å; R348-Y352 VanDerWaalsContact O-CB 3.28Å; R348-Y352 WeakPolarHBondContact O-CB 3.47Å; R348-Y352 PolarHBondContact O-N 2.91Å; R348-F377 HydrophobicContact CG-CD1 4.04Å; R348-F377 HydrophobicContact CG-CE1 4.15Å; R348-F377 PolarHBondContact NH2-O 3.25Å |
| 349 | K | 97.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 11% | 0.109 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -51.3 | 174.9 | -176.8 | -178.2 | 167.9 | -169.4 | 0 | 111.7 | E266 F329 I343 S345 W346 T351 Y352 D353 | E266-K349 IonicContact OE1-NZ 3.55Å; E266-K349 PolarHBondContact OE1-NZ 2.85Å; F329-K349 HydrophobicContact CE2-CB 4.05Å; F329-K349 HydrophobicContact CE2-CD 3.89Å; F329-K349 HydrophobicContact CZ-CB 3.98Å; F329-K349 HydrophobicContact CZ-CD 3.93Å; F329-K349 HydrophobicContact CZ-CG 4.41Å; I343-K349 HydrophobicContact CG2-CB 3.69Å; I343-K349 HydrophobicContact CG2-CG 4.42Å; S345-K349 WeakPolarHBondContact O-CB 3.49Å; S345-K349 PolarHBondContact O-N 3.36Å; W346-K349 HydrophobicContact CE3-CD 4.13Å; W346-K349 HydrophobicContact CZ3-CD 4.11Å; W346-K349 PolarHBondContact O-N 3.42Å; K349-T351 VanDerWaalsContact C-N 3.3Å; K349-T351 PolarHBondContact O-N 2.99Å; K349-Y352 PolarHBondContact O-N 2.96Å; K349-D353 WeakPolarHBondContact O-CB 3.47Å; K349-D353 PolarHBondContact O-N 3.4Å |
| 350 | R | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 40 Ų | 40 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | -179.5 | -177.3 | 64.2 | -122.3 | 139.3 | 2.5 | 111.6 | L224 L228 L270 W346 V347 A354 | L224-R350 PolarHBondContact O-NE 3.18Å; L228-R350 HydrophobicContact CB-CG 4.48Å; L228-R350 HydrophobicContact CD1-CG 4.33Å; L270-R350 HydrophobicContact CD2-CG 4.48Å; W346-R350 VanDerWaalsContact O-CB 3.32Å; W346-R350 WeakPolarHBondContact O-CB 3.46Å; W346-R350 PolarHBondContact O-N 3.42Å; V347-R350 PolarHBondContact O-N 3.44Å; R350-A354 WeakPolarHBondContact O-CB 3.46Å; R350-A354 PolarHBondContact O-N 3.35Å; R350-A354 VanDerWaalsContact O-N 3.09Å |
| 351 | T | 98 | Very high | 96.9 | Very high | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.08 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 111 | L177 V347 K349 D353 A354 F355 V376 F377 | L177-T351 HydrophobicContact CD2-CG2 4.44Å; V347-T351 WeakPolarHBondContact O-CB 3.22Å; V347-T351 PolarHBondContact O-N 2.8Å; V347-T351 PolarHBondContact O-OG1 3.27Å; K349-T351 VanDerWaalsContact C-N 3.3Å; K349-T351 PolarHBondContact O-N 2.99Å; T351-D353 PolarHBondContact O-N 3.42Å; T351-A354 PolarHBondContact O-N 3.05Å; T351-F355 HydrophobicContact CG2-CD2 4Å; T351-F355 HydrophobicContact CG2-CE2 3.65Å; T351-F355 WeakPolarHBondContact O-CD2 3.46Å; T351-F355 PolarHBondContact O-N 3.06Å; T351-F355 VanDerWaalsContact O-N 3.15Å; T351-V376 HydrophobicContact CG2-CG1 3.69Å; T351-F377 HydrophobicContact CG2-CE1 4.12Å; T351-F377 HydrophobicContact CG2-CZ 4.02Å |
| 352 | Y | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 176.9 | 178.9 | -98.5 | 0 | 0 | 0 | 113.1 | I334 M341 I343 R348 K349 A354 F355 R356 M363 L367 F377 | I334-Y352 HydrophobicContact CD1-CE1 4.44Å; I334-Y352 HydrophobicContact CG1-CE2 4.37Å; M341-Y352 HydrophobicContact CE-CD2 3.54Å; M341-Y352 HydrophobicContact CE-CE2 3.74Å; M341-Y352 HydrophobicContact CE-CG 4.45Å; I343-Y352 HydrophobicContact CD1-CD1 3.54Å; I343-Y352 HydrophobicContact CD1-CD2 4.2Å; I343-Y352 HydrophobicContact CD1-CE1 4.01Å; I343-Y352 HydrophobicContact CD1-CG 3.62Å; R348-Y352 VanDerWaalsContact O-CB 3.28Å; R348-Y352 WeakPolarHBondContact O-CB 3.47Å; R348-Y352 PolarHBondContact O-N 2.91Å; K349-Y352 PolarHBondContact O-N 2.96Å; Y352-A354 VanDerWaalsContact C-N 3.28Å; Y352-A354 PolarHBondContact O-N 3.32Å; Y352-F355 PolarHBondContact O-N 2.92Å; Y352-R356 HydrophobicContact CE1-CB 4.42Å; Y352-R356 VanDerWaalsContact O-CB 3.24Å; Y352-R356 WeakPolarHBondContact O-CB 3.47Å; Y352-R356 PolarHBondContact O-N 3.49Å; Y352-M363 HydrophobicContact CD2-CE 3.64Å; Y352-M363 HydrophobicContact CE2-CE 3.65Å; Y352-M363 HydrophobicContact CE2-CG 3.74Å; Y352-M363 HydrophobicContact CE2-SD 4.46Å; Y352-L367 HydrophobicContact CE2-CD1 4.26Å; Y352-F377 HydrophobicContact CD2-CZ 4.21Å |
| 353 | D | 97.9 | Very high | 96.9 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 179.3 | -74.5 | -22.1 | 0 | 0 | 0 | 111.7 | K349 T351 R356 E357 | K349-D353 WeakPolarHBondContact O-CB 3.47Å; K349-D353 PolarHBondContact O-N 3.4Å; T351-D353 PolarHBondContact O-N 3.42Å; D353-R356 PolarHBondContact O-N 2.85Å; D353-E357 PolarHBondContact O-N 3.37Å |
| 354 | A | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L174 L228 R350 T351 Y352 E357 F358 | L174-A354 HydrophobicContact CD1-CB 4.34Å; L228-A354 HydrophobicContact CD1-CB 3.65Å; L228-A354 HydrophobicContact CD2-CB 3.65Å; L228-A354 HydrophobicContact CG-CB 4.25Å; R350-A354 WeakPolarHBondContact O-CB 3.46Å; R350-A354 PolarHBondContact O-N 3.35Å; R350-A354 VanDerWaalsContact O-N 3.09Å; T351-A354 PolarHBondContact O-N 3.05Å; Y352-A354 VanDerWaalsContact C-N 3.28Å; Y352-A354 PolarHBondContact O-N 3.32Å; A354-E357 PolarHBondContact O-N 3.49Å; A354-F358 WeakPolarHBondContact O-CD2 3.26Å |
| 355 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.6 | -74.7 | -68.9 | 0 | 0 | 0 | 111.9 | I132 L174 L177 V178 T351 Y352 E357 F358 V359 M363 F372 I373 V376 F377 | I132-F355 HydrophobicContact CD1-CD1 4.05Å; I132-F355 HydrophobicContact CD1-CE1 4.49Å; I132-F355 HydrophobicContact CG1-CD1 3.94Å; I132-F355 HydrophobicContact CG1-CE1 3.92Å; L174-F355 HydrophobicContact CD1-CD1 4.06Å; L174-F355 HydrophobicContact CD1-CE1 3.83Å; L174-F355 HydrophobicContact CD1-CZ 4.14Å; L177-F355 HydrophobicContact CD2-CE2 4.15Å; L177-F355 HydrophobicContact CD2-CZ 4.15Å; V178-F355 HydrophobicContact CG2-CE1 4.04Å; V178-F355 HydrophobicContact CG2-CZ 4.21Å; T351-F355 HydrophobicContact CG2-CD2 4Å; T351-F355 HydrophobicContact CG2-CE2 3.65Å; T351-F355 WeakPolarHBondContact O-CD2 3.46Å; T351-F355 PolarHBondContact O-N 3.06Å; T351-F355 VanDerWaalsContact O-N 3.15Å; Y352-F355 PolarHBondContact O-N 2.92Å; F355-E357 PolarHBondContact O-N 3.47Å; F355-F358 PolarHBondContact O-N 2.9Å; F355-F358 VanDerWaalsContact O-N 3.15Å; F355-V359 WeakPolarHBondContact O-CB 3.5Å; F355-V359 WeakPolarHBondContact O-CG2 3.45Å; F355-V359 PolarHBondContact O-N 2.98Å; F355-M363 HydrophobicContact CB-CE 3.91Å; F355-M363 HydrophobicContact CB-SD 4.07Å; F355-F372 AromaticContact CE1-CE1 3.76Å; F355-F372 HydrophobicContact CE1-CE1 3.76Å; F355-F372 AromaticContact CZ-CE1 3.74Å; F355-F372 HydrophobicContact CZ-CE1 3.74Å; F355-F372 HydrophobicContact CZ-CZ 4.16Å; F355-I373 HydrophobicContact CD1-CD1 4.21Å; F355-I373 HydrophobicContact CD1-CG1 4.25Å; F355-I373 HydrophobicContact CE1-CG1 4.38Å; F355-V376 HydrophobicContact CE2-CG1 3.81Å; F355-V376 HydrophobicContact CZ-CG1 4.44Å; F355-V376 HydrophobicContact CZ-CG2 4.4Å; F355-F377 HydrophobicContact CD2-CE2 4.07Å; F355-F377 AromaticContact CD2-CZ 4Å; F355-F377 HydrophobicContact CD2-CZ 4Å |
| 356 | R | 97.3 | Very high | 96.6 | Very high | 119 Ų | 119 | 39.1 Ų | 39.1 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62 | -30.9 | -179.8 | -174.2 | 177.8 | 178.5 | -77.5 | -3.7 | 112.6 | Y352 D353 F358 G360 | Y352-R356 HydrophobicContact CE1-CB 4.42Å; Y352-R356 VanDerWaalsContact O-CB 3.24Å; Y352-R356 WeakPolarHBondContact O-CB 3.47Å; Y352-R356 PolarHBondContact O-N 3.49Å; D353-R356 PolarHBondContact O-N 2.85Å; R356-F358 VanDerWaalsContact C-N 3.26Å; R356-F358 PolarHBondContact O-N 3.08Å; R356-G360 VanDerWaalsContact O-CA 3.25Å; R356-G360 WeakPolarHBondContact O-CA 3.31Å; R356-G360 PolarHBondContact O-N 3.33Å |
| 357 | E | 96.4 | Very high | 96.5 | Very high | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.7 | -36.7 | 176.1 | -171.8 | 178.5 | 158.9 | 0 | 0 | 112.5 | D353 A354 F355 | D353-E357 PolarHBondContact O-N 3.37Å; A354-E357 PolarHBondContact O-N 3.49Å; F355-E357 PolarHBondContact O-N 3.47Å |
| 358 | F | 96.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -96.9 | -41.4 | -177.8 | -65.2 | -89.4 | 0 | 0 | 0 | 113.1 | C128 L129 I132 L174 A354 F355 R356 | C128-F358 HydrophobicContact CB-CD1 3.52Å; C128-F358 HydrophobicContact CB-CD2 4.4Å; C128-F358 HydrophobicContact CB-CE1 3.72Å; C128-F358 HydrophobicContact CB-CG 3.89Å; C128-F358 HydrophobicContact CB-CZ 4.24Å; C128-F358 WeakPolarHBondContact SG-CE1 3.31Å; C128-F358 VanDerWaalsContact SG-CZ 3.52Å; L129-F358 HydrophobicContact CD2-CB 4.17Å; L129-F358 HydrophobicContact CG-CB 4.45Å; I132-F358 HydrophobicContact CD1-CB 4.25Å; L174-F358 HydrophobicContact CB-CE2 4.1Å; L174-F358 HydrophobicContact CD2-CB 4.42Å; L174-F358 HydrophobicContact CD2-CD2 3.23Å; L174-F358 HydrophobicContact CD2-CE2 3.51Å; L174-F358 HydrophobicContact CD2-CG 3.89Å; L174-F358 HydrophobicContact CD2-CZ 4.37Å; L174-F358 HydrophobicContact CG-CD2 4.5Å; L174-F358 HydrophobicContact CG-CE2 4.44Å; A354-F358 WeakPolarHBondContact O-CD2 3.26Å; F355-F358 PolarHBondContact O-N 2.9Å; F355-F358 VanDerWaalsContact O-N 3.15Å; R356-F358 VanDerWaalsContact C-N 3.26Å; R356-F358 PolarHBondContact O-N 3.08Å |
| 359 | V | 96.1 | Very high | 96 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -79.6 | -28 | -177.4 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | A89 L129 I132 F355 S361 G362 M363 H366 | A89-V359 VanDerWaalsContact O-CG1 3.26Å; A89-V359 WeakPolarHBondContact O-CG1 3.13Å; L129-V359 HydrophobicContact CD2-CG2 4.29Å; I132-V359 HydrophobicContact CD1-CG2 3.92Å; I132-V359 HydrophobicContact CG2-CG2 4.41Å; F355-V359 WeakPolarHBondContact O-CB 3.5Å; F355-V359 WeakPolarHBondContact O-CG2 3.45Å; F355-V359 PolarHBondContact O-N 2.98Å; V359-S361 PolarHBondContact O-N 2.9Å; V359-G362 VanDerWaalsContact CG1-C 3.44Å; V359-G362 PolarHBondContact O-N 3.05Å; V359-G362 VanDerWaalsContact O-N 3.09Å; V359-M363 HydrophobicContact CB-SD 4.37Å; V359-H366 HydrophobicContact CG1-CB 4.29Å; V359-H366 WeakPolarHBondContact CG1-CD2 3.39Å |
| 360 | G | 94.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 38 Ų | 38 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | 57.4 | -124.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R356 G362 M363 | R356-G360 VanDerWaalsContact O-CA 3.25Å; R356-G360 WeakPolarHBondContact O-CA 3.31Å; R356-G360 PolarHBondContact O-N 3.33Å; G360-G362 PolarHBondContact O-N 3.24Å; G360-M363 WeakPolarHBondContact O-CB 3.49Å; G360-M363 PolarHBondContact O-N 2.88Å |
| 361 | S | 91.9 | Very high | 95.5 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 78% | 0.783 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -66.2 | -18.7 | -179.2 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | V359 M363 | V359-S361 PolarHBondContact O-N 2.9Å; S361-M363 VanDerWaalsContact C-N 3.27Å; S361-M363 PolarHBondContact O-N 3.14Å |
| 362 | G | 95.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -80 | -1.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A89 V359 G360 N364 Y365 H366 | A89-G362 VanDerWaalsContact O-CA 3.31Å; A89-G362 WeakPolarHBondContact O-CA 3.4Å; V359-G362 VanDerWaalsContact CG1-C 3.44Å; V359-G362 PolarHBondContact O-N 3.05Å; V359-G362 VanDerWaalsContact O-N 3.09Å; G360-G362 PolarHBondContact O-N 3.24Å; G362-N364 PolarHBondContact O-N 3.36Å; G362-N364 VanDerWaalsContact O-N 3.17Å; G362-Y365 WeakPolarHBondContact O-CA 3.46Å; G362-Y365 WeakPolarHBondContact O-CB 3.33Å; G362-Y365 PolarHBondContact O-N 3.35Å; G362-H366 PolarHBondContact O-CD2 3.48Å; G362-H366 PolarHBondContact O-N 3.43Å |
| 363 | M | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.02 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.5 | -41.3 | -175.9 | -170.3 | 62.1 | -170.1 | 0 | 0 | 112.3 | Y352 F355 V359 G360 S361 Y365 H366 L367 I373 F377 | Y352-M363 HydrophobicContact CD2-CE 3.64Å; Y352-M363 HydrophobicContact CE2-CE 3.65Å; Y352-M363 HydrophobicContact CE2-CG 3.74Å; Y352-M363 HydrophobicContact CE2-SD 4.46Å; F355-M363 HydrophobicContact CB-CE 3.91Å; F355-M363 HydrophobicContact CB-SD 4.07Å; V359-M363 HydrophobicContact CB-SD 4.37Å; G360-M363 WeakPolarHBondContact O-CB 3.49Å; G360-M363 PolarHBondContact O-N 2.88Å; S361-M363 VanDerWaalsContact C-N 3.27Å; S361-M363 PolarHBondContact O-N 3.14Å; M363-Y365 VanDerWaalsContact C-N 3.26Å; M363-Y365 PolarHBondContact O-N 3.49Å; M363-H366 PolarHBondContact O-N 3.14Å; M363-L367 HydrophobicContact CE-CD1 4.34Å; M363-L367 HydrophobicContact CE-CD2 3.98Å; M363-L367 HydrophobicContact CE-CG 4.02Å; M363-L367 HydrophobicContact CG-CD1 4.14Å; M363-L367 HydrophobicContact CG-CG 4.44Å; M363-L367 WeakPolarHBondContact O-CB 3.44Å; M363-L367 VanDerWaalsContact O-CG 3.28Å; M363-L367 WeakPolarHBondContact O-CG 3.28Å; M363-L367 PolarHBondContact O-N 3.19Å; M363-I373 HydrophobicContact CE-CG2 4.27Å; M363-F377 HydrophobicContact CE-CE2 3.8Å; M363-F377 HydrophobicContact CE-CZ 4.43Å |
| 364 | N | 94.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 40.4 Ų | 40.4 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -31.7 | 176.3 | -74.9 | -11.6 | 0 | 0 | 0 | 113.2 | F336 G362 Q368 | F336-N364 HydrophobicContact CB-CB 3.96Å; G362-N364 PolarHBondContact O-N 3.36Å; G362-N364 VanDerWaalsContact O-N 3.17Å; N364-Q368 VanDerWaalsContact O-CG 3.3Å; N364-Q368 WeakPolarHBondContact O-CG 3.48Å; N364-Q368 PolarHBondContact O-N 3.13Å; N364-Q368 PolarHBondContact O-NE2 3.17Å |
| 365 | Y | 93.3 | Very high | 94.5 | Very high | 113 Ų | 113 | 45.4 Ų | 45.4 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.6 | -42.7 | 178 | -172.9 | -101.1 | 0 | 0 | 0 | 110.6 | I92 G362 M363 Q368 G369 | I92-Y365 HydrophobicContact CB-CE1 4.06Å; I92-Y365 HydrophobicContact CD1-CD1 3.92Å; I92-Y365 HydrophobicContact CD1-CE1 3.6Å; I92-Y365 HydrophobicContact CG1-CD1 3.94Å; I92-Y365 HydrophobicContact CG1-CE1 3.64Å; G362-Y365 WeakPolarHBondContact O-CA 3.46Å; G362-Y365 WeakPolarHBondContact O-CB 3.33Å; G362-Y365 PolarHBondContact O-N 3.35Å; M363-Y365 VanDerWaalsContact C-N 3.26Å; M363-Y365 PolarHBondContact O-N 3.49Å; Y365-Q368 PolarHBondContact O-N 2.94Å; Y365-Q368 VanDerWaalsContact O-N 3.15Å; Y365-G369 PolarHBondContact O-N 3.46Å; Y365-G369 VanDerWaalsContact O-N 3.14Å |
| 366 | H | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 175.1 | -79.4 | -102.1 | 0 | 0 | 0 | 112.8 | M88 A89 Q133 V359 G362 M363 Q368 G369 N370 I373 | M88-H366 PolarHBondContact O-NE2 3.28Å; A89-H366 PolarHBondContact O-NE2 2.87Å; Q133-H366 PolarHBondContact NE2-CE1 3.39Å; Q133-H366 VanDerWaalsContact NE2-CE1 3.27Å; V359-H366 HydrophobicContact CG1-CB 4.29Å; V359-H366 WeakPolarHBondContact CG1-CD2 3.39Å; G362-H366 PolarHBondContact O-CD2 3.48Å; G362-H366 PolarHBondContact O-N 3.43Å; M363-H366 PolarHBondContact O-N 3.14Å; H366-Q368 PolarHBondContact O-N 3.35Å; H366-G369 PolarHBondContact O-N 3.03Å; H366-N370 HydrophobicContact CB-CB 4.06Å; H366-N370 PolarHBondContact ND1-ND2 2.77Å; H366-N370 VanDerWaalsContact O-CB 3.3Å; H366-N370 WeakPolarHBondContact O-CB 3.21Å; H366-N370 PolarHBondContact O-N 2.85Å; H366-I373 HydrophobicContact CB-CD1 3.62Å |
| 367 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.8 | -29.7 | 173.1 | -72.2 | 167.4 | 0 | 0 | 0 | 112.6 | I334 F336 M341 Y352 M363 I373 R374 F377 L379 | I334-L367 HydrophobicContact CG2-CD1 4.2Å; F336-L367 HydrophobicContact CD1-CB 3.99Å; F336-L367 HydrophobicContact CD1-CD1 3.7Å; F336-L367 HydrophobicContact CD1-CG 4.44Å; F336-L367 HydrophobicContact CD2-CB 3.91Å; F336-L367 HydrophobicContact CE1-CB 4.07Å; F336-L367 HydrophobicContact CE1-CD1 3.96Å; F336-L367 HydrophobicContact CE1-CG 4.46Å; F336-L367 HydrophobicContact CE2-CB 3.96Å; F336-L367 HydrophobicContact CG-CB 3.9Å; F336-L367 HydrophobicContact CG-CD1 4.28Å; F336-L367 HydrophobicContact CZ-CB 4.06Å; M341-L367 HydrophobicContact CE-CD1 4.31Å; M341-L367 HydrophobicContact CE-CD2 4.09Å; M341-L367 HydrophobicContact SD-CD2 4Å; Y352-L367 HydrophobicContact CE2-CD1 4.26Å; M363-L367 HydrophobicContact CE-CD1 4.34Å; M363-L367 HydrophobicContact CE-CD2 3.98Å; M363-L367 HydrophobicContact CE-CG 4.02Å; M363-L367 HydrophobicContact CG-CD1 4.14Å; M363-L367 HydrophobicContact CG-CG 4.44Å; M363-L367 WeakPolarHBondContact O-CB 3.44Å; M363-L367 VanDerWaalsContact O-CG 3.28Å; M363-L367 WeakPolarHBondContact O-CG 3.28Å; M363-L367 PolarHBondContact O-N 3.19Å; L367-I373 HydrophobicContact CD2-CG2 3.91Å; L367-I373 HydrophobicContact CG-CG2 4.4Å; L367-R374 WeakPolarHBondContact O-CD 3.45Å; L367-R374 VanDerWaalsContact O-CG 3.22Å; L367-R374 WeakPolarHBondContact O-CG 3.43Å; L367-R374 PolarHBondContact O-NH1 3.46Å; L367-F377 HydrophobicContact CD2-CD2 3.8Å; L367-F377 HydrophobicContact CD2-CE2 4.34Å; L367-L379 HydrophobicContact CB-CD1 4.38Å; L367-L379 HydrophobicContact CD2-CD1 3.74Å |
| 368 | Q | 93.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -78.6 | -37.5 | 178.7 | -76.3 | 170.9 | 72 | 0 | 0 | 113 | F336 N364 Y365 H366 R374 | F336-Q368 HydrophobicContact CB-CG 4.27Å; F336-Q368 HydrophobicContact CD2-CG 3.61Å; F336-Q368 HydrophobicContact CE2-CG 4.49Å; F336-Q368 HydrophobicContact CG-CG 4.39Å; N364-Q368 VanDerWaalsContact O-CG 3.3Å; N364-Q368 WeakPolarHBondContact O-CG 3.48Å; N364-Q368 PolarHBondContact O-N 3.13Å; N364-Q368 PolarHBondContact O-NE2 3.17Å; Y365-Q368 PolarHBondContact O-N 2.94Å; Y365-Q368 VanDerWaalsContact O-N 3.15Å; H366-Q368 PolarHBondContact O-N 3.35Å; Q368-R374 PolarHBondContact O-NH1 3.49Å |
| 369 | G | 90.9 | Very high | 94 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 27% | 0.268 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -134.1 | -15.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y365 H366 E371 | Y365-G369 PolarHBondContact O-N 3.46Å; Y365-G369 VanDerWaalsContact O-N 3.14Å; H366-G369 PolarHBondContact O-N 3.03Å; G369-E371 PolarHBondContact O-N 2.85Å |
| 370 | N | 93.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | trans | -83.1 | 109.7 | -179.2 | 177.9 | -61.8 | 0 | 0 | 0 | 107.9 | I92 I132 H366 F372 I373 R374 | I92-N370 HydrophobicContact CD1-CB 4.05Å; I92-N370 VanDerWaalsContact CD1-N 3.28Å; I92-N370 HydrophobicContact CG1-CB 4.09Å; I132-N370 PolarHBondContact O-ND2 3.13Å; H366-N370 HydrophobicContact CB-CB 4.06Å; H366-N370 PolarHBondContact ND1-ND2 2.77Å; H366-N370 VanDerWaalsContact O-CB 3.3Å; H366-N370 WeakPolarHBondContact O-CB 3.21Å; H366-N370 PolarHBondContact O-N 2.85Å; N370-F372 VanDerWaalsContact C-N 3.31Å; N370-F372 PolarHBondContact O-N 2.82Å; N370-F372 WeakPolarHBondContact OD1-CB 3.15Å; N370-F372 PolarHBondContact OD1-N 3.38Å; N370-I373 HydrophobicContact CB-CB 4.2Å; N370-I373 PolarHBondContact O-N 3.16Å; N370-I373 PolarHBondContact OD1-N 3.25Å; N370-R374 WeakPolarHBondContact O-CG 3.42Å; N370-R374 PolarHBondContact O-N 2.96Å | ||
| 371 | E | 91.6 | Very high | 93.5 | Very high | 137 Ų | 137 | 51.2 Ų | 51.2 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -54.5 | -46.8 | -174.7 | -63.9 | -172.5 | 157.2 | 0 | 0 | 111.8 | G369 I373 R374 D375 P382 | G369-E371 PolarHBondContact O-N 2.85Å; E371-I373 PolarHBondContact O-N 3.49Å; E371-R374 WeakPolarHBondContact O-CB 3.43Å; E371-R374 PolarHBondContact O-N 3.04Å; E371-R374 VanDerWaalsContact O-N 3.14Å; E371-D375 PolarHBondContact O-N 2.94Å; E371-P382 HydrophobicContact CG-CG 4.05Å |
| 372 | F | 91.3 | Very high | 93.2 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 178.1 | 170.1 | -106 | 0 | 0 | 0 | 113.3 | G135 V178 F355 N370 R374 D375 V376 | G135-F372 VanDerWaalsContact CA-CG 3.46Å; V178-F372 HydrophobicContact CB-CE1 4.31Å; V178-F372 HydrophobicContact CB-CZ 4.01Å; V178-F372 HydrophobicContact CG1-CD1 4.49Å; V178-F372 HydrophobicContact CG1-CE1 3.79Å; V178-F372 HydrophobicContact CG1-CE2 4.28Å; V178-F372 HydrophobicContact CG1-CZ 3.67Å; V178-F372 HydrophobicContact CG2-CE1 3.74Å; V178-F372 HydrophobicContact CG2-CZ 3.74Å; F355-F372 AromaticContact CE1-CE1 3.76Å; F355-F372 HydrophobicContact CE1-CE1 3.76Å; F355-F372 AromaticContact CZ-CE1 3.74Å; F355-F372 HydrophobicContact CZ-CE1 3.74Å; F355-F372 HydrophobicContact CZ-CZ 4.16Å; N370-F372 VanDerWaalsContact C-N 3.31Å; N370-F372 PolarHBondContact O-N 2.82Å; N370-F372 WeakPolarHBondContact OD1-CB 3.15Å; N370-F372 PolarHBondContact OD1-N 3.38Å; F372-R374 VanDerWaalsContact C-N 3.25Å; F372-R374 PolarHBondContact O-N 3.4Å; F372-D375 PolarHBondContact O-N 3.36Å; F372-V376 HydrophobicContact CD2-CG2 4.24Å; F372-V376 HydrophobicContact CE1-CG2 4.02Å; F372-V376 HydrophobicContact CE2-CG2 3.72Å; F372-V376 HydrophobicContact CZ-CG2 3.58Å; F372-V376 WeakPolarHBondContact O-CG2 3.41Å; F372-V376 PolarHBondContact O-N 3.32Å |
| 373 | I | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 177.5 | -78 | 174.2 | 0 | 0 | 0 | 110.7 | I132 F355 M363 H366 L367 N370 E371 F377 | I132-I373 HydrophobicContact CG2-CD1 3.59Å; I132-I373 HydrophobicContact CG2-CG1 4.3Å; F355-I373 HydrophobicContact CD1-CD1 4.21Å; F355-I373 HydrophobicContact CD1-CG1 4.25Å; F355-I373 HydrophobicContact CE1-CG1 4.38Å; M363-I373 HydrophobicContact CE-CG2 4.27Å; H366-I373 HydrophobicContact CB-CD1 3.62Å; L367-I373 HydrophobicContact CD2-CG2 3.91Å; L367-I373 HydrophobicContact CG-CG2 4.4Å; N370-I373 HydrophobicContact CB-CB 4.2Å; N370-I373 PolarHBondContact O-N 3.16Å; N370-I373 PolarHBondContact OD1-N 3.25Å; E371-I373 PolarHBondContact O-N 3.49Å; I373-F377 HydrophobicContact CG2-CD2 3.94Å; I373-F377 HydrophobicContact CG2-CE2 4.11Å; I373-F377 WeakPolarHBondContact O-CD2 3.49Å; I373-F377 PolarHBondContact O-N 3.31Å |
| 374 | R | 94.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.1 | -71.9 | -172.3 | 70.9 | 93.6 | -2.5 | 112.1 | E339 L367 Q368 N370 E371 F372 F377 E378 L379 G380 P381 | E339-R374 IonicContact OE1-CZ 2.65Å; E339-R374 IonicContact OE1-NH1 3.84Å; E339-R374 PolarHBondContact OE1-NH1 2.82Å; E339-R374 IonicContact OE1-NH2 3.28Å; E339-R374 PolarHBondContact OE1-NH2 3.47Å; E339-R374 IonicContact OE2-CZ 3.46Å; E339-R374 IonicContact OE2-NH1 3.21Å; E339-R374 PolarHBondContact OE2-NH1 3.05Å; E339-R374 IonicContact OE2-NH2 3.7Å; E339-R374 PolarHBondContact OE2-NH2 3.48Å; L367-R374 WeakPolarHBondContact O-CD 3.45Å; L367-R374 VanDerWaalsContact O-CG 3.22Å; L367-R374 WeakPolarHBondContact O-CG 3.43Å; L367-R374 PolarHBondContact O-NH1 3.46Å; Q368-R374 PolarHBondContact O-NH1 3.49Å; N370-R374 WeakPolarHBondContact O-CG 3.42Å; N370-R374 PolarHBondContact O-N 2.96Å; E371-R374 WeakPolarHBondContact O-CB 3.43Å; E371-R374 PolarHBondContact O-N 3.04Å; E371-R374 VanDerWaalsContact O-N 3.14Å; F372-R374 VanDerWaalsContact C-N 3.25Å; F372-R374 PolarHBondContact O-N 3.4Å; R374-F377 CarbonylContact O-C 3.52Å; R374-F377 PolarHBondContact O-N 2.81Å; R374-E378 WeakPolarHBondContact O-CA 3.39Å; R374-E378 PolarHBondContact O-N 2.95Å; R374-L379 HydrophobicContact CB-CB 4.18Å; R374-L379 HydrophobicContact CG-CB 4.3Å; R374-L379 HydrophobicContact CG-CD1 4.27Å; R374-L379 PolarHBondContact NH2-O 2.9Å; R374-L379 PolarHBondContact O-N 3.4Å; R374-G380 PolarHBondContact NE-O 3.29Å; R374-G380 PolarHBondContact NH2-O 2.83Å; R374-P381 PolarHBondContact NH2-O 3.27Å |
| 375 | D | 91.3 | Very high | 89.9 | Confident | 109 Ų | 109 | 58 Ų | 58 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 175.7 | -70.2 | -18.8 | 0 | 0 | 0 | 111.3 | E371 F372 F377 E378 | E371-D375 PolarHBondContact O-N 2.94Å; F372-D375 PolarHBondContact O-N 3.36Å; D375-F377 PolarHBondContact O-N 3.08Å; D375-F377 VanDerWaalsContact O-N 3.17Å; D375-E378 PolarHBondContact O-N 3.28Å |
| 376 | V | 93.4 | Very high | 88.7 | Confident | 54 Ų | 54 | 57 Ų | 57 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.8 | -35.9 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | T351 F355 F372 | T351-V376 HydrophobicContact CG2-CG1 3.69Å; F355-V376 HydrophobicContact CE2-CG1 3.81Å; F355-V376 HydrophobicContact CZ-CG1 4.44Å; F355-V376 HydrophobicContact CZ-CG2 4.4Å; F372-V376 HydrophobicContact CD2-CG2 4.24Å; F372-V376 HydrophobicContact CE1-CG2 4.02Å; F372-V376 HydrophobicContact CE2-CG2 3.72Å; F372-V376 HydrophobicContact CZ-CG2 3.58Å; F372-V376 WeakPolarHBondContact O-CG2 3.41Å; F372-V376 PolarHBondContact O-N 3.32Å |
| 377 | F | 95.9 | Very high | 87 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 12.1 | 179 | -65.9 | -63.4 | 0 | 0 | 0 | 113.9 | M341 R348 T351 Y352 F355 M363 L367 I373 R374 D375 L379 | M341-F377 HydrophobicContact CE-CD1 4.48Å; M341-F377 HydrophobicContact SD-CB 3.56Å; M341-F377 VanDerWaalsContact SD-CB 3.56Å; M341-F377 HydrophobicContact SD-CD1 3.68Å; M341-F377 HydrophobicContact SD-CD2 4.11Å; M341-F377 HydrophobicContact SD-CE1 4.44Å; M341-F377 HydrophobicContact SD-CG 3.5Å; M341-F377 WeakPolarHBondContact SD-CG 3.46Å; R348-F377 HydrophobicContact CG-CD1 4.04Å; R348-F377 HydrophobicContact CG-CE1 4.15Å; R348-F377 PolarHBondContact NH2-O 3.25Å; T351-F377 HydrophobicContact CG2-CE1 4.12Å; T351-F377 HydrophobicContact CG2-CZ 4.02Å; Y352-F377 HydrophobicContact CD2-CZ 4.21Å; F355-F377 HydrophobicContact CD2-CE2 4.07Å; F355-F377 AromaticContact CD2-CZ 4Å; F355-F377 HydrophobicContact CD2-CZ 4Å; M363-F377 HydrophobicContact CE-CE2 3.8Å; M363-F377 HydrophobicContact CE-CZ 4.43Å; L367-F377 HydrophobicContact CD2-CD2 3.8Å; L367-F377 HydrophobicContact CD2-CE2 4.34Å; I373-F377 HydrophobicContact CG2-CD2 3.94Å; I373-F377 HydrophobicContact CG2-CE2 4.11Å; I373-F377 WeakPolarHBondContact O-CD2 3.49Å; I373-F377 PolarHBondContact O-N 3.31Å; R374-F377 CarbonylContact O-C 3.52Å; R374-F377 PolarHBondContact O-N 2.81Å; D375-F377 PolarHBondContact O-N 3.08Å; D375-F377 VanDerWaalsContact O-N 3.17Å; F377-L379 HydrophobicContact CB-CD1 4.14Å; F377-L379 HydrophobicContact CB-CD2 4.32Å; F377-L379 HydrophobicContact CB-CG 3.89Å; F377-L379 PolarHBondContact O-N 3.32Å |
| 378 | E | 94.9 | Very high | 85.5 | Confident | 171 Ų | 171 | 64.3 Ų | 64.3 | 80% | 0.799 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.1 | 177.1 | -56.4 | 179 | 173.3 | 0 | 0 | 113.7 | R374 D375 G380 | R374-E378 WeakPolarHBondContact O-CA 3.39Å; R374-E378 PolarHBondContact O-N 2.95Å; D375-E378 PolarHBondContact O-N 3.28Å; E378-G380 VanDerWaalsContact C-N 3.29Å |
| 379 | L | 93.7 | Very high | 84.1 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | trans | -83.6 | -6.3 | -178 | -56.9 | 177.7 | 0 | 0 | 0 | 112.9 | F336 M341 L367 R374 F377 | F336-L379 HydrophobicContact CE2-CD1 4.28Å; F336-L379 HydrophobicContact CZ-CD1 3.7Å; F336-L379 HydrophobicContact CZ-CD2 4.26Å; M341-L379 HydrophobicContact CB-CD2 3.97Å; M341-L379 HydrophobicContact CG-CD2 4.04Å; M341-L379 HydrophobicContact SD-CD2 4.32Å; L367-L379 HydrophobicContact CB-CD1 4.38Å; L367-L379 HydrophobicContact CD2-CD1 3.74Å; R374-L379 HydrophobicContact CB-CB 4.18Å; R374-L379 HydrophobicContact CG-CB 4.3Å; R374-L379 HydrophobicContact CG-CD1 4.27Å; R374-L379 PolarHBondContact NH2-O 2.9Å; R374-L379 PolarHBondContact O-N 3.4Å; F377-L379 HydrophobicContact CB-CD1 4.14Å; F377-L379 HydrophobicContact CB-CD2 4.32Å; F377-L379 HydrophobicContact CB-CG 3.89Å; F377-L379 PolarHBondContact O-N 3.32Å | ||
| 380 | G | 91 | Very high | 82.8 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | trans | 71.4 | -173.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R374 E378 | R374-G380 PolarHBondContact NE-O 3.29Å; R374-G380 PolarHBondContact NH2-O 2.83Å; E378-G380 VanDerWaalsContact C-N 3.29Å | ||
| 381 | P | 88.8 | Confident | 81.3 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 72% | 0.721 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -64.4 | 152 | -175.4 | 26.6 | -34.7 | 0 | 0 | 0 | 112.4 | R374 I383 | R374-P381 PolarHBondContact NH2-O 3.27Å; P381-I383 PolarHBondContact O-N 2.78Å |
| 382 | P | 87.6 | Confident | 80.1 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 22% | 0.221 | 41% | 0.405 | C | S | . | . | trans | -51.2 | 129.6 | 174.4 | -28.3 | 34.8 | 0 | 0 | 0 | 112.8 | E371 L384 | E371-P382 HydrophobicContact CG-CG 4.05Å; P382-L384 PolarHBondContact O-N 3.01Å | ||
| 383 | I | 81.9 | Confident | 78.8 | Confident | 90 Ų | 90 | 74.3 Ų | 74.3 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | trans | -81.6 | 105 | 176.7 | -46.9 | -173.9 | 0 | 0 | 0 | 109.1 | E339 P381 V385 | E339-I383 HydrophobicContact CG-CD1 3.56Å; E339-I383 HydrophobicContact CG-CG1 4.44Å; E339-I383 WeakPolarHBondContact OE1-CD1 3.31Å; P381-I383 PolarHBondContact O-N 2.78Å; I383-V385 VanDerWaalsContact C-N 3.35Å; I383-V385 HydrophobicContact CB-CG2 4.16Å; I383-V385 HydrophobicContact CG2-CG2 3.3Å; I383-V385 PolarHBondContact O-N 2.98Å | ||
| 384 | L | 69.1 | Low | 77.5 | Confident | 171 Ų | 171 | 81.5 Ų | 81.5 | 90% | 0.895 | 46% | 0.458 | S | S | * | . | trans | -77.8 | 83.7 | 171.8 | -62.1 | 173.8 | 0 | 0 | 0 | 109.7 | P382 | P382-L384 PolarHBondContact O-N 3.01Š| ||
| 385 | V | 64.6 | Low | 76.3 | Confident | 37 Ų | 37 | 85.9 Ų | 85.9 | 22% | 0.224 | 48% | 0.481 | C | S | . | . | trans | -95.9 | 117.4 | 173.8 | -162.7 | 0 | 0 | 0 | 0 | 109.2 | I383 T389 M390 M393 | I383-V385 VanDerWaalsContact C-N 3.35Å; I383-V385 HydrophobicContact CB-CG2 4.16Å; I383-V385 HydrophobicContact CG2-CG2 3.3Å; I383-V385 PolarHBondContact O-N 2.98Å; V385-T389 HydrophobicContact CG1-CG2 3.57Å; V385-M390 HydrophobicContact CB-CG 3.92Å; V385-M390 HydrophobicContact CB-SD 4.05Å; V385-M390 HydrophobicContact CG1-CG 3.66Å; V385-M390 HydrophobicContact CG1-SD 3.98Å; V385-M393 HydrophobicContact CG1-SD 4.39Å | ||
| 386 | D | 67.5 | Low | 75.8 | Confident | 93 Ų | 93 | 83.5 Ų | 83.5 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | trans | -65.9 | 159.3 | 173.6 | 70.2 | 26.8 | 0 | 0 | 0 | 111.9 | A388 T389 M390 | D386-A388 PolarHBondContact O-N 3.25Å; D386-A388 VanDerWaalsContact O-N 3.15Å; D386-A388 PolarHBondContact OD1-N 3.02Å; D386-T389 PolarHBondContact O-N 2.88Å; D386-T389 VanDerWaalsContact O-N 3.15Å; D386-T389 WeakPolarHBondContact OD1-CA 3.43Å; D386-T389 WeakPolarHBondContact OD1-CB 3.37Å; D386-T389 PolarHBondContact OD1-N 3.1Å; D386-T389 PolarHBondContact OD1-OG1 3.31Å; D386-M390 WeakPolarHBondContact O-CG 3.27Å; D386-M390 PolarHBondContact O-N 3.49Å | ||
| 387 | S | 61.6 | Low | 75.1 | Confident | 85 Ų | 85 | 91.3 Ų | 91.3 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.8 | -29 | -178.1 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | K391 | S387-K391 WeakPolarHBondContact O-CG 3.2Å; S387-K391 PolarHBondContact O-N 3.17Å; S387-K391 VanDerWaalsContact O-N 3.14Å |
| 388 | A | 62.8 | Low | 74.4 | Confident | 68 Ų | 68 | 98.4 Ų | 98.4 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.1 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D386 K391 A392 | D386-A388 PolarHBondContact O-N 3.25Å; D386-A388 VanDerWaalsContact O-N 3.15Å; D386-A388 PolarHBondContact OD1-N 3.02Å; A388-K391 WeakPolarHBondContact O-CB 3.22Å; A388-K391 PolarHBondContact O-N 2.78Å; A388-A392 PolarHBondContact O-N 3.14Å |
| 389 | T | 65.3 | Low | 73.6 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.1 | -38.7 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | V385 D386 K391 A392 M393 | V385-T389 HydrophobicContact CG1-CG2 3.57Å; D386-T389 PolarHBondContact O-N 2.88Å; D386-T389 VanDerWaalsContact O-N 3.15Å; D386-T389 WeakPolarHBondContact OD1-CA 3.43Å; D386-T389 WeakPolarHBondContact OD1-CB 3.37Å; D386-T389 PolarHBondContact OD1-N 3.1Å; D386-T389 PolarHBondContact OD1-OG1 3.31Å; T389-K391 VanDerWaalsContact C-N 3.29Å; T389-K391 PolarHBondContact O-N 3.11Å; T389-A392 PolarHBondContact O-N 3.11Å; T389-A392 VanDerWaalsContact O-N 3.13Å; T389-M393 HydrophobicContact CG2-CE 4.19Å; T389-M393 WeakPolarHBondContact O-CG 3.3Å; T389-M393 PolarHBondContact O-N 3.38Å |
| 390 | M | 62.8 | Low | 73.1 | Confident | 71 Ų | 71 | 99.7 Ų | 99.7 | 35% | 0.35 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 169.8 | -76 | -70.1 | -85.5 | 0 | 0 | 112.2 | T338 V385 D386 | T338-M390 HydrophobicContact CG2-CE 4.05Å; T338-M390 HydrophobicContact CG2-SD 3.43Å; T338-M390 WeakPolarHBondContact CG2-SD 3.39Å; V385-M390 HydrophobicContact CB-CG 3.92Å; V385-M390 HydrophobicContact CB-SD 4.05Å; V385-M390 HydrophobicContact CG1-CG 3.66Å; V385-M390 HydrophobicContact CG1-SD 3.98Å; D386-M390 WeakPolarHBondContact O-CG 3.27Å; D386-M390 PolarHBondContact O-N 3.49Å |
| 391 | K | 63.6 | Low | 72.5 | Confident | 143 Ų | 143 | 104.5 Ų | 104.5 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.1 | -37.9 | 174.3 | -75.6 | 172.8 | -174.5 | 174.6 | 0 | 111.8 | S387 A388 T389 K394 | S387-K391 WeakPolarHBondContact O-CG 3.2Å; S387-K391 PolarHBondContact O-N 3.17Å; S387-K391 VanDerWaalsContact O-N 3.14Å; A388-K391 WeakPolarHBondContact O-CB 3.22Å; A388-K391 PolarHBondContact O-N 2.78Å; T389-K391 VanDerWaalsContact C-N 3.29Å; T389-K391 PolarHBondContact O-N 3.11Å; K391-K394 WeakPolarHBondContact O-CB 3.08Å; K391-K394 PolarHBondContact O-N 3.27Å |
| 392 | A | 65.2 | Low | 72.2 | Confident | 85 Ų | 85 | 104 Ų | 104 | 70% | 0.702 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69 | -32.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A388 T389 K394 | A388-A392 PolarHBondContact O-N 3.14Å; T389-A392 PolarHBondContact O-N 3.11Å; T389-A392 VanDerWaalsContact O-N 3.13Å; A392-K394 PolarHBondContact O-N 3.02Å |
| 393 | M | 64.2 | Low | 71.7 | Confident | 115 Ų | 115 | 108.7 Ų | 108.7 | 57% | 0.567 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -9.6 | 175.3 | -73.1 | -178.6 | 169.3 | 0 | 0 | 113.8 | T338 V385 T389 I395 | T338-M393 HydrophobicContact CG2-SD 4.28Å; V385-M393 HydrophobicContact CG1-SD 4.39Å; T389-M393 HydrophobicContact CG2-CE 4.19Å; T389-M393 WeakPolarHBondContact O-CG 3.3Å; T389-M393 PolarHBondContact O-N 3.38Å; M393-I395 PolarHBondContact O-N 3.16Å; M393-I395 VanDerWaalsContact O-N 3.08Å |
| 394 | K | 67.8 | Low | 71.6 | Confident | 151 Ų | 151 | 108.8 Ų | 108.8 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -69.9 | 109.5 | 178.6 | -75.1 | -177.3 | -179.7 | -177.9 | 0 | 110.4 | K391 A392 S396 | K391-K394 WeakPolarHBondContact O-CB 3.08Å; K391-K394 PolarHBondContact O-N 3.27Å; A392-K394 PolarHBondContact O-N 3.02Å; K394-S396 PolarHBondContact O-N 2.92Å |
| 395 | I | 69.8 | Low | 72 | Confident | 95 Ų | 95 | 103.5 Ų | 103.5 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | trans | -51.6 | 128.2 | 167.4 | -58.2 | 172 | 0 | 0 | 0 | 109.2 | M393 E399 R400 | M393-I395 PolarHBondContact O-N 3.16Å; M393-I395 VanDerWaalsContact O-N 3.08Å; I395-E399 HydrophobicContact CG2-CB 3.67Å; I395-E399 HydrophobicContact CG2-CG 3.64Å; I395-R400 HydrophobicContact CG2-CB 4.29Å; I395-R400 PolarHBondContact O-NH2 3.2Å; I395-R400 VanDerWaalsContact O-NH2 3.1Å | ||
| 396 | S | 79.2 | Confident | 72.7 | Confident | 59 Ų | 59 | 104.6 Ų | 104.6 | 41% | 0.413 | 54% | 0.543 | S | S | . | . | trans | -57.7 | 151.7 | -177.9 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | K394 F398 E399 R400 | K394-S396 PolarHBondContact O-N 2.92Å; S396-F398 PolarHBondContact O-N 3.1Å; S396-E399 PolarHBondContact O-N 2.87Å; S396-E399 VanDerWaalsContact O-N 3.16Å; S396-E399 VanDerWaalsContact OG-CB 3.23Å; S396-E399 WeakPolarHBondContact OG-CB 3.23Å; S396-E399 PolarHBondContact OG-N 3.11Å; S396-E399 VanDerWaalsContact OG-N 3.11Å; S396-R400 WeakPolarHBondContact O-CB 3.48Å; S396-R400 PolarHBondContact O-N 3.49Å | ||
| 397 | R | 79.6 | Confident | 73.1 | Confident | 218 Ų | 218 | 101.9 Ų | 101.9 | 82% | 0.823 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55 | -38.6 | 177.6 | -176.8 | 178.3 | 179.7 | 172.4 | 1.6 | 111.8 | H401 | R397-H401 WeakPolarHBondContact O-CB 3.44Å; R397-H401 PolarHBondContact O-N 2.97Å |
| 398 | F | 82.4 | Confident | 73.8 | Confident | 152 Ų | 152 | 104 Ų | 104 | 67% | 0.667 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -48.9 | 178.2 | 178.4 | -102.9 | 0 | 0 | 0 | 111.7 | S396 R400 H401 L402 | S396-F398 PolarHBondContact O-N 3.1Å; F398-R400 PolarHBondContact O-N 3.41Å; F398-H401 WeakPolarHBondContact O-CB 3.44Å; F398-H401 PolarHBondContact O-N 3.24Å; F398-L402 PolarHBondContact O-N 3.43Å |
| 399 | E | 77.9 | Confident | 74.7 | Confident | 111 Ų | 111 | 108.4 Ų | 108.4 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | -179.4 | -174.2 | 176.4 | -173.7 | 0 | 0 | 112.1 | I395 S396 H401 L402 H403 | I395-E399 HydrophobicContact CG2-CB 3.67Å; I395-E399 HydrophobicContact CG2-CG 3.64Å; S396-E399 PolarHBondContact O-N 2.87Å; S396-E399 VanDerWaalsContact O-N 3.16Å; S396-E399 VanDerWaalsContact OG-CB 3.23Å; S396-E399 WeakPolarHBondContact OG-CB 3.23Å; S396-E399 PolarHBondContact OG-N 3.11Å; S396-E399 VanDerWaalsContact OG-N 3.11Å; E399-H401 VanDerWaalsContact C-N 3.33Å; E399-H401 PolarHBondContact O-N 2.87Å; E399-L402 PolarHBondContact O-N 3.18Å; E399-H403 WeakPolarHBondContact O-CB 3.38Å; E399-H403 PolarHBondContact O-N 2.91Å |
| 400 | R | 81.7 | Confident | 75.4 | Confident | 119 Ų | 119 | 108.6 Ų | 108.6 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 172.1 | -166.3 | -172.9 | -51.5 | 151 | 9.5 | 111.8 | I395 S396 F398 N404 | I395-R400 HydrophobicContact CG2-CB 4.29Å; I395-R400 PolarHBondContact O-NH2 3.2Å; I395-R400 VanDerWaalsContact O-NH2 3.1Å; S396-R400 WeakPolarHBondContact O-CB 3.48Å; S396-R400 PolarHBondContact O-N 3.49Å; F398-R400 PolarHBondContact O-N 3.41Å; R400-N404 VanDerWaalsContact O-CB 3.3Å; R400-N404 WeakPolarHBondContact O-CB 3.3Å; R400-N404 PolarHBondContact O-N 3.29Å; R400-N404 PolarHBondContact O-ND2 3.4Å |
| 401 | H | 80.1 | Confident | 76.3 | Confident | 129 Ų | 129 | 112 Ų | 112 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -43.3 | 176.1 | -177.7 | 71.6 | 0 | 0 | 0 | 111.4 | R397 F398 E399 N404 S405 | R397-H401 WeakPolarHBondContact O-CB 3.44Å; R397-H401 PolarHBondContact O-N 2.97Å; F398-H401 WeakPolarHBondContact O-CB 3.44Å; F398-H401 PolarHBondContact O-N 3.24Å; E399-H401 VanDerWaalsContact C-N 3.33Å; E399-H401 PolarHBondContact O-N 2.87Å; H401-N404 PolarHBondContact O-N 3.5Å; H401-S405 WeakPolarHBondContact O-CB 3.38Å; H401-S405 PolarHBondContact O-N 2.94Å |
| 402 | L | 82.3 | Confident | 77.1 | Confident | 101 Ų | 101 | 107.5 Ų | 107.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 178 | -173.4 | 64.6 | 0 | 0 | 0 | 111.5 | F398 E399 N404 S405 A406 | F398-L402 PolarHBondContact O-N 3.43Å; E399-L402 PolarHBondContact O-N 3.18Å; L402-N404 PolarHBondContact O-N 3.43Å; L402-S405 PolarHBondContact O-N 3.38Å; L402-A406 WeakPolarHBondContact O-CB 3.42Å; L402-A406 PolarHBondContact O-N 3.47Å |
| 403 | H | 76.1 | Confident | 77.8 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 62% | 0.616 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 176.8 | -175.7 | -84.7 | 0 | 0 | 0 | 111.6 | E399 S405 A406 A407 | E399-H403 WeakPolarHBondContact O-CB 3.38Å; E399-H403 PolarHBondContact O-N 2.91Å; H403-S405 PolarHBondContact O-N 3.01Å; H403-A406 PolarHBondContact O-N 3.31Å; H403-A407 WeakPolarHBondContact O-CB 3.35Å; H403-A407 PolarHBondContact O-N 2.86Å |
| 404 | N | 80.2 | Confident | 78.5 | Confident | 92 Ų | 92 | 107.7 Ų | 107.7 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 177.4 | -73.1 | -14.6 | 0 | 0 | 0 | 112.4 | R400 H401 L402 F408 | R400-N404 VanDerWaalsContact O-CB 3.3Å; R400-N404 WeakPolarHBondContact O-CB 3.3Å; R400-N404 PolarHBondContact O-N 3.29Å; R400-N404 PolarHBondContact O-ND2 3.4Å; H401-N404 PolarHBondContact O-N 3.5Å; L402-N404 PolarHBondContact O-N 3.43Å; N404-F408 VanDerWaalsContact O-CB 3.23Å; N404-F408 WeakPolarHBondContact O-CB 3.35Å; N404-F408 PolarHBondContact O-N 3.31Å |
| 405 | S | 76.6 | Confident | 79.1 | Confident | 60 Ų | 60 | 108.3 Ų | 108.3 | 42% | 0.42 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 176 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | H401 L402 H403 F408 K409 | H401-S405 WeakPolarHBondContact O-CB 3.38Å; H401-S405 PolarHBondContact O-N 2.94Å; L402-S405 PolarHBondContact O-N 3.38Å; H403-S405 PolarHBondContact O-N 3.01Å; S405-F408 PolarHBondContact O-N 3.39Å; S405-K409 WeakPolarHBondContact O-CB 3.38Å; S405-K409 PolarHBondContact O-N 2.85Å |
| 406 | A | 80.5 | Confident | 79.5 | Confident | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L402 H403 F408 K409 A410 | L402-A406 WeakPolarHBondContact O-CB 3.42Å; L402-A406 PolarHBondContact O-N 3.47Å; H403-A406 PolarHBondContact O-N 3.31Å; A406-F408 VanDerWaalsContact C-N 3.35Å; A406-F408 PolarHBondContact O-N 2.89Å; A406-K409 PolarHBondContact O-N 2.81Å; A406-A410 WeakPolarHBondContact O-CB 3.36Å; A406-A410 PolarHBondContact O-N 3.44Å |
| 407 | A | 75.8 | Confident | 79.6 | Confident | 37 Ų | 37 | 111.1 Ų | 111.1 | 31% | 0.306 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H403 R411 | H403-A407 WeakPolarHBondContact O-CB 3.35Å; H403-A407 PolarHBondContact O-N 2.86Å; A407-R411 WeakPolarHBondContact O-CB 3.35Å; A407-R411 WeakPolarHBondContact O-CG 3.23Å; A407-R411 PolarHBondContact O-N 2.93Å |
| 408 | F | 76.5 | Confident | 79.3 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -44.8 | 175.3 | -178.3 | -93.3 | 0 | 0 | 0 | 112.1 | N404 S405 A406 R411 T412 | N404-F408 VanDerWaalsContact O-CB 3.23Å; N404-F408 WeakPolarHBondContact O-CB 3.35Å; N404-F408 PolarHBondContact O-N 3.31Å; S405-F408 PolarHBondContact O-N 3.39Å; A406-F408 VanDerWaalsContact C-N 3.35Å; A406-F408 PolarHBondContact O-N 2.89Å; F408-R411 PolarHBondContact O-N 3.44Å; F408-T412 WeakPolarHBondContact O-CB 3.44Å; F408-T412 PolarHBondContact O-N 2.88Å; F408-T412 PolarHBondContact O-OG1 3.31Å |
| 409 | K | 80.7 | Confident | 79.1 | Confident | 162 Ų | 162 | 108.3 Ų | 108.3 | 70% | 0.704 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 176.7 | -170.8 | 175.4 | -177.7 | 178.1 | 0 | 111.2 | S405 A406 T412 K413 | S405-K409 WeakPolarHBondContact O-CB 3.38Å; S405-K409 PolarHBondContact O-N 2.85Å; A406-K409 PolarHBondContact O-N 2.81Å; K409-T412 PolarHBondContact O-N 2.87Å; K409-K413 WeakPolarHBondContact O-CB 3.35Å; K409-K413 PolarHBondContact O-N 2.91Å |
| 410 | A | 79.6 | Confident | 79.1 | Confident | 60 Ų | 60 | 108.7 Ų | 108.7 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A406 T412 K413 A414 | A406-A410 WeakPolarHBondContact O-CB 3.36Å; A406-A410 PolarHBondContact O-N 3.44Å; A410-T412 VanDerWaalsContact C-N 3.32Å; A410-T412 PolarHBondContact O-N 3.32Å; A410-K413 PolarHBondContact O-N 2.83Å; A410-A414 WeakPolarHBondContact O-CB 3.34Å; A410-A414 PolarHBondContact O-N 2.83Å |
| 411 | R | 82.9 | Confident | 78.8 | Confident | 142 Ų | 142 | 111.6 Ų | 111.6 | 54% | 0.536 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.2 | -75.7 | -171.9 | -61 | -166 | 1.8 | 112.4 | A407 F408 A414 R415 | A407-R411 WeakPolarHBondContact O-CB 3.35Å; A407-R411 WeakPolarHBondContact O-CG 3.23Å; A407-R411 PolarHBondContact O-N 2.93Å; F408-R411 PolarHBondContact O-N 3.44Å; R411-A414 PolarHBondContact O-N 3.31Å; R411-R415 WeakPolarHBondContact O-CB 3.2Å; R411-R415 VanDerWaalsContact O-CG 3.31Å; R411-R415 WeakPolarHBondContact O-CG 3.48Å; R411-R415 PolarHBondContact O-N 3Å |
| 412 | T | 79.2 | Confident | 78.5 | Confident | 50 Ų | 50 | 117.1 Ų | 117.1 | 31% | 0.307 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -45.6 | 178.7 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | F408 K409 A410 R415 S416 | F408-T412 WeakPolarHBondContact O-CB 3.44Å; F408-T412 PolarHBondContact O-N 2.88Å; F408-T412 PolarHBondContact O-OG1 3.31Å; K409-T412 PolarHBondContact O-N 2.87Å; A410-T412 VanDerWaalsContact C-N 3.32Å; A410-T412 PolarHBondContact O-N 3.32Å; T412-R415 PolarHBondContact O-N 3.09Å; T412-S416 WeakPolarHBondContact O-CB 3.31Å; T412-S416 PolarHBondContact O-N 3.15Å; T412-S416 PolarHBondContact O-OG 2.99Å |
| 413 | K | 79.9 | Confident | 78.2 | Confident | 150 Ų | 150 | 116.4 Ų | 116.4 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.4 | -36.7 | 176.7 | -172.1 | 179.2 | -179.2 | -177.7 | 0 | 112.7 | K409 A410 S416 | K409-K413 WeakPolarHBondContact O-CB 3.35Å; K409-K413 PolarHBondContact O-N 2.91Å; A410-K413 PolarHBondContact O-N 2.83Å; K413-S416 PolarHBondContact O-OG 3.33Å |
| 414 | A | 79.4 | Confident | 77.9 | Confident | 54 Ų | 54 | 118 Ų | 118 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.3 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A410 R411 F418 | A410-A414 WeakPolarHBondContact O-CB 3.34Å; A410-A414 PolarHBondContact O-N 2.83Å; R411-A414 PolarHBondContact O-N 3.31Å; A414-F418 WeakPolarHBondContact O-CD2 3.43Å |
| 415 | R | 80.1 | Confident | 77.4 | Confident | 163 Ų | 163 | 119.5 Ų | 119.5 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71 | -32.8 | -179.5 | -72.9 | 178.1 | 174.6 | -174.4 | -2.7 | 113.4 | R411 T412 K417 F418 R419 | R411-R415 WeakPolarHBondContact O-CB 3.2Å; R411-R415 VanDerWaalsContact O-CG 3.31Å; R411-R415 WeakPolarHBondContact O-CG 3.48Å; R411-R415 PolarHBondContact O-N 3Å; T412-R415 PolarHBondContact O-N 3.09Å; R415-K417 PolarHBondContact O-N 3.27Å; R415-F418 CarbonylContact O-C 3.57Å; R415-F418 PolarHBondContact O-N 2.87Å; R415-R419 WeakPolarHBondContact O-CG 3.42Å; R415-R419 PolarHBondContact O-N 3.48Å; R415-R419 VanDerWaalsContact O-N 3.09Å |
| 416 | S | 79.4 | Confident | 76.6 | Confident | 54 Ų | 54 | 118.9 Ų | 118.9 | 38% | 0.378 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.3 | -34.2 | 179.8 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | T412 K413 F418 R419 | T412-S416 WeakPolarHBondContact O-CB 3.31Å; T412-S416 PolarHBondContact O-N 3.15Å; T412-S416 PolarHBondContact O-OG 2.99Å; K413-S416 PolarHBondContact O-OG 3.33Å; S416-F418 PolarHBondContact O-N 3.37Å; S416-F418 VanDerWaalsContact O-N 3.15Å; S416-R419 PolarHBondContact O-N 3.47Å |
| 417 | K | 80.1 | Confident | 75.3 | Confident | 160 Ų | 160 | 125.7 Ų | 125.7 | 70% | 0.696 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.1 | -22.2 | 174.4 | -63.2 | -177.5 | 178.5 | -173 | 0 | 114.2 | R415 | R415-K417 PolarHBondContact O-N 3.27Å |
| 418 | F | 74.7 | Confident | 74.3 | Confident | 143 Ų | 143 | 137.3 Ų | 137.3 | 63% | 0.627 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -116.9 | 1.6 | -176.3 | -58.6 | -75.3 | 0 | 0 | 0 | 113 | A414 R415 S416 K421 | A414-F418 WeakPolarHBondContact O-CD2 3.43Å; R415-F418 CarbonylContact O-C 3.57Å; R415-F418 PolarHBondContact O-N 2.87Å; S416-F418 PolarHBondContact O-N 3.37Å; S416-F418 VanDerWaalsContact O-N 3.15Å; F418-K421 WeakPolarHBondContact O-CB 3.49Å |
| 419 | R | 78.2 | Confident | 74.2 | Confident | 167 Ų | 167 | 137.8 Ų | 137.8 | 63% | 0.63 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.7 | -30.7 | -178.5 | -91.5 | 179.9 | 170.8 | 173.3 | -4.2 | 112.7 | R415 S416 K421 | R415-R419 WeakPolarHBondContact O-CG 3.42Å; R415-R419 PolarHBondContact O-N 3.48Å; R415-R419 VanDerWaalsContact O-N 3.09Å; S416-R419 PolarHBondContact O-N 3.47Å; R419-K421 PolarHBondContact O-N 2.99Å |
| 420 | D | 76.3 | Confident | 73.9 | Confident | 120 Ų | 120 | 136.5 Ų | 136.5 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -82.3 | 3.5 | -176.4 | -57.4 | -27.8 | 0 | 0 | 0 | 113.3 | R422 V423 | D420-R422 PolarHBondContact O-N 3.1Å; D420-V423 HydrophobicContact CB-CG2 4.13Å; D420-V423 PolarHBondContact O-N 3.47Å; D420-V423 VanDerWaalsContact O-N 3.1Å |
| 421 | K | 75.5 | Confident | 73.5 | Confident | 179 Ų | 179 | 140.7 Ų | 140.7 | 78% | 0.778 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -65.1 | -8.3 | -175.6 | -143 | 178.9 | -172.3 | -176.1 | 0 | 114.7 | F418 R419 | F418-K421 WeakPolarHBondContact O-CB 3.49Å; R419-K421 PolarHBondContact O-N 2.99Å |
| 422 | R | 74.3 | Confident | 73 | Confident | 246 Ų | 246 | 140.6 Ų | 140.6 | 93% | 0.928 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -130.1 | 13.8 | 178.3 | -64.1 | -174.9 | 179.7 | 174 | -0.7 | 112.6 | D420 D424 | D420-R422 PolarHBondContact O-N 3.1Å; R422-D424 PolarHBondContact O-N 3.27Å |
| 423 | V | 76.6 | Confident | 72.6 | Confident | 86 Ų | 86 | 146.3 Ų | 146.3 | 52% | 0.521 | 70% | 0.701 | S | S | . | * | trans | -77.1 | 122 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | D420 V425 | D420-V423 HydrophobicContact CB-CG2 4.13Å; D420-V423 PolarHBondContact O-N 3.47Å; D420-V423 VanDerWaalsContact O-N 3.1Å; V423-V425 HydrophobicContact CG1-CG2 4.3Å; V423-V425 PolarHBondContact O-N 2.86Å | ||
| 424 | D | 70.2 | Confident | 72.1 | Confident | 166 Ų | 166 | 146.1 Ų | 146.1 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | -64.6 | 91.6 | 167.4 | -101.6 | -23.5 | 0 | 0 | 0 | 107.3 | R422 G426 | R422-D424 PolarHBondContact O-N 3.27Å; D424-G426 PolarHBondContact O-N 3.01Å | ||
| 425 | V | 68.3 | Low | 71.6 | Confident | 124 Ų | 124 | 152.6 Ų | 152.6 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -77.6 | 84.2 | 166.9 | -171.7 | 0 | 0 | 0 | 0 | 105.2 | V423 E427 | V423-V425 HydrophobicContact CG1-CG2 4.3Å; V423-V425 PolarHBondContact O-N 2.86Å; V425-E427 PolarHBondContact O-N 3.18Å | ||
| 426 | G | 60 | Low | 71 | Confident | 47 Ų | 47 | 151.8 Ų | 151.8 | 49% | 0.485 | 73% | 0.73 | S | S | . | * | trans | -56 | 120.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | D424 F428 | D424-G426 PolarHBondContact O-N 3.01Å; G426-F428 PolarHBondContact O-N 3.1Å; G426-F428 VanDerWaalsContact O-N 3.1Å | ||
| 427 | E | 54.1 | Low | 70.2 | Confident | 201 Ų | 201 | 160 Ų | 160 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -62 | 109 | 165.6 | -70.5 | -176.4 | 162.7 | 0 | 0 | 107 | V425 | V425-E427 PolarHBondContact O-N 3.18Š| ||
| 428 | F | 54.8 | Low | 69.4 | Low | 281 Ų | 281 | 160 Ų | 160 | 100% | 1.232 | 77% | 0.766 | S | S | * | * | trans | -91.3 | 0 | 167.7 | -84.1 | -78.8 | 0 | 0 | 0 | 110.1 | G426 | G426-F428 PolarHBondContact O-N 3.1Å; G426-F428 VanDerWaalsContact O-N 3.1Å |
Retrieved 428 of 428 residues in 1064.2 ms
(Link to these results)