| 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 | 36 | Very low | 30.7 | Very low | 238 Ų | 238 | 129.4 Ų | 129.4 | 100% | 1.172 | 82% | 0.815 | S | S | * | * | 0 | 111.9 | 0 | -67.1 | 151.8 | 174 | 0 | 0 | 105.7 | |||||
| 2 | A | 31.2 | Very low | 30.6 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | 76.3 | 126.9 | 55.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 3 | M | 30.5 | Very low | 30.4 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | cis | -170.5 | 143.4 | -2.1 | -157.4 | 165.4 | 177.8 | 0 | 0 | 111.6 | ||||
| 4 | H | 33.2 | Very low | 30.3 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | 55.2 | 166.6 | 156.1 | -87.4 | -122.3 | 0 | 0 | 0 | 119.7 | ||||
| 5 | S | 31.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 82% | 0.816 | S | S | * | * | cis | -168.9 | 164.4 | -32.4 | 53.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | T | 32.4 | Very low | 30.1 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | cis | -122.7 | -121.2 | 10.3 | -39.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | G | 28.8 | Very low | 30.1 | Very low | 62 Ų | 62 | 138.1 Ų | 138.1 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | cis | 89.1 | 139 | 0.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 8 | E | 30.9 | Very low | 30.1 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | cis | -156.9 | 170.6 | -6 | -70 | -166 | 66.3 | 0 | 0 | 108.4 | ||||
| 9 | G | 27.3 | Very low | 29.9 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | cis | 170.3 | 179.7 | -0.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 10 | S | 28 | Very low | 30 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 98% | 0.979 | 80% | 0.801 | S | S | * | * | trans | 72.9 | 138.8 | 176.7 | -164.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 11 | G | 27.4 | Very low | 29.9 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 144.6 | 111.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 12 | E | 30.5 | Very low | 29.6 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -104.8 | 152.9 | -168.7 | -154.9 | -163.8 | 105.7 | 0 | 0 | 114.4 | ||||
| 13 | R | 27.6 | Very low | 29.5 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 84.4 | 131.1 | 141.8 | -154.3 | 178.1 | -169.3 | 130.2 | -6.9 | 120.7 | ||||
| 14 | G | 29.4 | Very low | 29.4 | Very low | 70 Ų | 70 | 137.2 Ų | 137.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 166.4 | 58 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 15 | E | 28.8 | Very low | 29.9 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 95% | 0.949 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 158.7 | 179.7 | -71.9 | 179.8 | 113.3 | 0 | 0 | 114.4 | ||||
| 16 | L | 28.3 | Very low | 29.6 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -149.1 | 139.7 | -170.4 | -124.1 | 170.6 | 0 | 0 | 0 | 112.3 | ||||
| 17 | V | 29.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 153.1 | 166.4 | -151.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 18 | H | 29.8 | Very low | 30 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 83.1 | 138.4 | 163.8 | -70.2 | -62.1 | 0 | 0 | 0 | 118.8 | ||||
| 19 | S | 26.2 | Very low | 29.9 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -156.1 | 158.8 | -8.4 | -137 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 20 | L | 31.9 | Very low | 30.5 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -21.7 | 131.3 | 155.2 | -178.7 | 82.5 | 0 | 0 | 0 | 117.7 | ||||
| 21 | S | 28.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -169.3 | 132.7 | 137.6 | -96.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 22 | K | 29.4 | Very low | 31.2 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | 66.8 | 108.4 | 132.8 | -162.2 | 174.1 | -173.9 | 179.1 | 0 | 120.8 | ||||
| 23 | E | 31.1 | Very low | 31.5 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -81.4 | 151.9 | 154.5 | -63.9 | -172.4 | 151.9 | 0 | 0 | 112.1 | ||||
| 24 | T | 27.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -161.1 | 132 | 157.7 | -61.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 25 | P | 43.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | trans | -88.6 | 144.2 | -173.1 | 33.7 | -35 | 0 | 0 | 0 | 113.9 | ||||
| 26 | G | 26.1 | Very low | 32.4 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 172.3 | 137.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 27 | S | 27 | Very low | 33.1 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 65.7 | 126.2 | 172.2 | -151.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 28 | P | 41.7 | Very low | 33.5 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -99.9 | 106.6 | 164.3 | 34.8 | -24.9 | 0 | 0 | 0 | 111.2 | ||||
| 29 | D | 28.6 | Very low | 34.4 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -95.8 | 143.5 | 175.4 | -94.1 | -66.4 | 0 | 0 | 0 | 113.2 | ||||
| 30 | A | 40.3 | Very low | 35.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -84.2 | 118.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 31 | S | 34.9 | Very low | 36.8 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -154 | 31.6 | 166.2 | -79.8 | 0 | 0 | 0 | 0 | 114.1 | L33 | S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.07Å; S31-L33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | E | 34.8 | Very low | 38.2 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | trans | -79.1 | 79.3 | 166.6 | -78.2 | -129.8 | 117 | 0 | 0 | 111.2 | ||||
| 33 | L | 38.1 | Very low | 40 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -148.5 | 108.3 | 172.8 | -123.2 | 153 | 0 | 0 | 0 | 112.7 | S31 | S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.07Å; S31-L33 VanDerWaalsContact O-N 3.07Å | ||
| 34 | G | 34.7 | Very low | 41.7 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | 95.6 | 22.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 35 | S | 29.2 | Very low | 43.6 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -69.7 | 127.1 | 161.2 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | R37 | S35-R37 PolarHBondContact O-N 3.41Š| ||
| 36 | P | 40 | Very low | 44.8 | Very low | 111 Ų | 111 | 120.6 Ų | 120.6 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | trans | -63.4 | 119.6 | 173.6 | -16.9 | 30.1 | 0 | 0 | 0 | 108.9 | C38 | P36-C38 PolarHBondContact O-N 2.97Š| ||
| 37 | R | 42.1 | Very low | 47 | Very low | 244 Ų | 244 | 119.8 Ų | 119.8 | 92% | 0.921 | 70% | 0.695 | S | S | * | * | trans | -59.7 | 104.2 | 172.2 | -69.9 | -176.2 | 177.7 | 118 | 1.5 | 108.5 | S35 | S35-R37 PolarHBondContact O-N 3.41Š| ||
| 38 | C | 39.4 | Very low | 49.1 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | trans | -51.4 | 138.8 | 161.1 | -71.1 | 0 | 0 | 0 | 0 | 107.6 | P36 | P36-C38 PolarHBondContact O-N 2.97Š| ||
| 39 | P | 47.8 | Very low | 50.5 | Low | 100 Ų | 100 | 110.2 Ų | 110.2 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | trans | -54.6 | 141.3 | 161.9 | 27.6 | -33.6 | 0 | 0 | 0 | 107.1 | N41 | P39-N41 PolarHBondContact O-N 3.23Š| ||
| 40 | P | 57 | Low | 52.4 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 83% | 0.825 | 61% | 0.612 | S | S | * | * | trans | -56.9 | 111.7 | 174.5 | 24.2 | -32.5 | 0 | 0 | 0 | 107.1 | F42 | P40-F42 PolarHBondContact O-N 2.99Š| ||
| 41 | N | 50.7 | Low | 53.9 | Low | 139 Ų | 139 | 104.8 Ų | 104.8 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | trans | -59.6 | 115.6 | 176.1 | -80.1 | -60.3 | 0 | 0 | 0 | 105.9 | P39 D43 | P39-N41 PolarHBondContact O-N 3.23Å; N41-D43 PolarHBondContact O-N 2.94Å | ||
| 42 | F | 57.9 | Low | 55.7 | Low | 152 Ų | 152 | 101.7 Ų | 101.7 | 67% | 0.667 | 56% | 0.557 | S | S | * | * | trans | -69.8 | 88.1 | -178.8 | -172 | -98.6 | 0 | 0 | 0 | 107.5 | P40 L44 M47 | P40-F42 PolarHBondContact O-N 2.99Å; F42-L44 VanDerWaalsContact C-N 3.26Å; F42-L44 HydrophobicContact CD1-CD1 3.95Å; F42-L44 HydrophobicContact CE1-CD1 3.9Å; F42-L44 PolarHBondContact O-N 3.21Å; F42-M47 HydrophobicContact CE1-CE 4.07Å; F42-M47 HydrophobicContact CE1-SD 3.96Å; F42-M47 HydrophobicContact CE2-SD 4.43Å; F42-M47 HydrophobicContact CZ-CE 4.16Å; F42-M47 HydrophobicContact CZ-SD 3.49Å; F42-M47 WeakPolarHBondContact CZ-SD 3.5Å | ||
| 43 | D | 68.3 | Low | 57.5 | Low | 78 Ų | 78 | 97.2 Ų | 97.2 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | trans | -74.1 | 89.1 | -171.7 | -171.2 | -22 | 0 | 0 | 0 | 109.1 | N41 L45 N46 M47 | N41-D43 PolarHBondContact O-N 2.94Å; D43-L45 PolarHBondContact O-N 2.81Å; D43-L45 PolarHBondContact OD1-N 3.03Å; D43-N46 HydrophobicContact CB-CB 4Å; D43-N46 PolarHBondContact O-N 2.79Å; D43-N46 VanDerWaalsContact O-N 3.1Å; D43-N46 PolarHBondContact OD1-N 2.81Å; D43-N46 PolarHBondContact OD2-ND2 3.32Å; D43-M47 PolarHBondContact O-N 3.32Å | ||
| 44 | L | 66.9 | Low | 59.2 | Low | 71 Ų | 71 | 93.9 Ų | 93.9 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -52.6 | -36.8 | -177.9 | -151.1 | 70.9 | 0 | 0 | 0 | 111.7 | F42 V48 I156 | F42-L44 VanDerWaalsContact C-N 3.26Å; F42-L44 HydrophobicContact CD1-CD1 3.95Å; F42-L44 HydrophobicContact CE1-CD1 3.9Å; F42-L44 PolarHBondContact O-N 3.21Å; L44-V48 WeakPolarHBondContact O-CG2 3.29Å; L44-V48 PolarHBondContact O-N 3.07Å; L44-V48 VanDerWaalsContact O-N 3.16Å; L44-I156 HydrophobicContact CD1-CD1 3.38Å; L44-I156 HydrophobicContact CD2-CD1 4.06Å; L44-I156 HydrophobicContact CG-CD1 3.34Å |
| 45 | L | 66.6 | Low | 61 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.4 | -44.7 | 179 | -177.8 | 65.6 | 0 | 0 | 0 | 111 | D43 M47 V48 M49 | D43-L45 PolarHBondContact O-N 2.81Å; D43-L45 PolarHBondContact OD1-N 3.03Å; L45-M47 VanDerWaalsContact C-N 3.31Å; L45-M47 PolarHBondContact O-N 2.75Å; L45-V48 PolarHBondContact O-N 3.31Å; L45-M49 WeakPolarHBondContact O-CB 3.47Å; L45-M49 PolarHBondContact O-N 3.37Å |
| 46 | N | 68.8 | Low | 63.1 | Low | 84 Ų | 84 | 90 Ų | 90 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -33.8 | 175.2 | -93 | -55.8 | 0 | 0 | 0 | 112.5 | D43 S50 | D43-N46 HydrophobicContact CB-CB 4Å; D43-N46 PolarHBondContact O-N 2.79Å; D43-N46 VanDerWaalsContact O-N 3.1Å; D43-N46 PolarHBondContact OD1-N 2.81Å; D43-N46 PolarHBondContact OD2-ND2 3.32Å; N46-S50 VanDerWaalsContact O-CB 3.25Å; N46-S50 WeakPolarHBondContact O-CB 3.14Å; N46-S50 PolarHBondContact O-N 2.77Å; N46-S50 PolarHBondContact O-OG 2.82Å |
| 47 | M | 72.6 | Confident | 64.6 | Low | 57 Ų | 57 | 91.8 Ų | 91.8 | 28% | 0.281 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 172.5 | -172.8 | -179.5 | 72.4 | 0 | 0 | 111.7 | F42 D43 L45 M49 S50 Y51 I156 L159 | F42-M47 HydrophobicContact CE1-CE 4.07Å; F42-M47 HydrophobicContact CE1-SD 3.96Å; F42-M47 HydrophobicContact CE2-SD 4.43Å; F42-M47 HydrophobicContact CZ-CE 4.16Å; F42-M47 HydrophobicContact CZ-SD 3.49Å; F42-M47 WeakPolarHBondContact CZ-SD 3.5Å; D43-M47 PolarHBondContact O-N 3.32Å; L45-M47 VanDerWaalsContact C-N 3.31Å; L45-M47 PolarHBondContact O-N 2.75Å; M47-M49 PolarHBondContact O-N 3.39Å; M47-S50 WeakPolarHBondContact O-CB 3.21Å; M47-S50 PolarHBondContact O-N 3.25Å; M47-Y51 PolarHBondContact O-N 3.46Å; M47-I156 HydrophobicContact CE-CB 4.43Å; M47-I156 HydrophobicContact CE-CD1 3.68Å; M47-I156 HydrophobicContact CE-CG1 3.71Å; M47-I156 HydrophobicContact CE-CG2 3.9Å; M47-L159 HydrophobicContact CE-CD2 4.32Å |
| 48 | V | 71.3 | Confident | 66.2 | Low | 4 Ų | 4 | 84.3 Ų | 84.3 | 2% | 0.024 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 178.4 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | L44 L45 S50 Y51 K52 E155 I156 | L44-V48 WeakPolarHBondContact O-CG2 3.29Å; L44-V48 PolarHBondContact O-N 3.07Å; L44-V48 VanDerWaalsContact O-N 3.16Å; L45-V48 PolarHBondContact O-N 3.31Å; V48-S50 VanDerWaalsContact C-N 3.28Å; V48-S50 PolarHBondContact O-N 3.19Å; V48-Y51 PolarHBondContact O-N 3.18Å; V48-K52 HydrophobicContact CG1-CD 4.35Å; V48-K52 PolarHBondContact O-N 2.8Å; V48-E155 VanDerWaalsContact CG1-OE2 3.25Å; V48-E155 WeakPolarHBondContact CG1-OE2 3.33Å; V48-I156 HydrophobicContact CG2-CD1 3.66Å; V48-I156 HydrophobicContact CG2-CG1 3.53Å |
| 49 | M | 69.7 | Low | 68 | Low | 23 Ų | 23 | 84.1 Ų | 84.1 | 11% | 0.113 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 175.7 | -166.7 | -167.1 | -57.6 | 0 | 0 | 112.1 | L45 M47 R53 L142 Q143 | L45-M49 WeakPolarHBondContact O-CB 3.47Å; L45-M49 PolarHBondContact O-N 3.37Å; M47-M49 PolarHBondContact O-N 3.39Å; M49-R53 WeakPolarHBondContact O-CB 3.28Å; M49-R53 PolarHBondContact O-N 2.85Å; M49-R53 VanDerWaalsContact O-N 3.08Å; M49-L142 HydrophobicContact CB-CD2 4.39Å; M49-L142 HydrophobicContact CG-CD2 3.95Å; M49-Q143 HydrophobicContact CE-CG 3.91Å; M49-Q143 HydrophobicContact SD-CG 4.04Å |
| 50 | S | 69.3 | Low | 69.5 | Low | 66 Ų | 66 | 83.1 Ų | 83.1 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.8 | -42.3 | 175 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | N46 M47 V48 R53 M54 | N46-S50 VanDerWaalsContact O-CB 3.25Å; N46-S50 WeakPolarHBondContact O-CB 3.14Å; N46-S50 PolarHBondContact O-N 2.77Å; N46-S50 PolarHBondContact O-OG 2.82Å; M47-S50 WeakPolarHBondContact O-CB 3.21Å; M47-S50 PolarHBondContact O-N 3.25Å; V48-S50 VanDerWaalsContact C-N 3.28Å; V48-S50 PolarHBondContact O-N 3.19Å; S50-R53 PolarHBondContact O-N 3.17Å; S50-M54 WeakPolarHBondContact O-CB 3.29Å; S50-M54 PolarHBondContact O-N 3.23Å |
| 51 | Y | 72.5 | Confident | 70.6 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -51.7 | 175.3 | 169.1 | -118.8 | 0 | 0 | 0 | 112 | M47 V48 R53 M54 A55 L159 | M47-Y51 PolarHBondContact O-N 3.46Å; V48-Y51 PolarHBondContact O-N 3.18Å; Y51-R53 VanDerWaalsContact C-N 3.27Å; Y51-R53 PolarHBondContact O-N 3.05Å; Y51-M54 HydrophobicContact CD2-CE 4.21Å; Y51-M54 CarbonylContact O-C 3.3Å; Y51-M54 WeakPolarHBondContact O-CA 3.36Å; Y51-M54 WeakPolarHBondContact O-CB 3.34Å; Y51-M54 PolarHBondContact O-N 3.1Å; Y51-A55 PolarHBondContact O-N 3Å; Y51-L159 HydrophobicContact CD1-CD1 4.17Å; Y51-L159 HydrophobicContact CD1-CD2 4.23Å; Y51-L159 HydrophobicContact CD2-CD1 3.48Å; Y51-L159 VanDerWaalsContact CD2-CD1 3.48Å; Y51-L159 HydrophobicContact CD2-CD2 4.48Å; Y51-L159 HydrophobicContact CE1-CD1 4.27Å; Y51-L159 HydrophobicContact CE2-CD1 3.61Å; Y51-L159 HydrophobicContact CG-CD1 3.78Å; Y51-L159 HydrophobicContact CG-CD2 3.97Å; Y51-L159 HydrophobicContact CG-CG 4.41Å |
| 52 | K | 72.4 | Confident | 72 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 24% | 0.239 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | 177.6 | -77.6 | -179.4 | 167.4 | 168.1 | 0 | 112.5 | V48 A55 L56 L142 E155 | V48-K52 HydrophobicContact CG1-CD 4.35Å; V48-K52 PolarHBondContact O-N 2.8Å; K52-A55 PolarHBondContact O-N 3.13Å; K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.36Å; K52-L142 HydrophobicContact CB-CD1 3.97Å; K52-L142 HydrophobicContact CB-CD2 3.81Å; K52-L142 HydrophobicContact CB-CG 4.46Å; K52-L142 HydrophobicContact CD-CD1 4.18Å; K52-L142 HydrophobicContact CD-CD2 3.86Å; K52-L142 HydrophobicContact CD-CG 4.17Å; K52-L142 HydrophobicContact CG-CD2 4.45Å; K52-E155 WeakPolarHBondContact CE-OE1 3.36Å; K52-E155 WeakPolarHBondContact CE-OE2 3.06Å; K52-E155 IonicContact NZ-OE1 3.63Å; K52-E155 PolarHBondContact NZ-OE1 2.92Å; K52-E155 IonicContact NZ-OE2 3.44Å; K52-E155 PolarHBondContact NZ-OE2 2.83Å |
| 53 | R | 72.7 | Confident | 73.2 | Confident | 110 Ų | 110 | 76 Ų | 76 | 42% | 0.415 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 170.5 | -174.5 | -174 | -56.7 | 179.2 | 6.8 | 112.1 | M49 S50 Y51 F57 | M49-R53 WeakPolarHBondContact O-CB 3.28Å; M49-R53 PolarHBondContact O-N 2.85Å; M49-R53 VanDerWaalsContact O-N 3.08Å; S50-R53 PolarHBondContact O-N 3.17Å; Y51-R53 VanDerWaalsContact C-N 3.27Å; Y51-R53 PolarHBondContact O-N 3.05Å; R53-F57 HydrophobicContact CG-CD2 4.03Å; R53-F57 HydrophobicContact CG-CE2 3.63Å; R53-F57 WeakPolarHBondContact O-CD2 3.35Å; R53-F57 PolarHBondContact O-N 3.18Å |
| 54 | M | 73 | Confident | 73.9 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 51% | 0.512 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 176.1 | -171 | 176.1 | 70.1 | 0 | 0 | 111.5 | S50 Y51 L56 F57 L58 | S50-M54 WeakPolarHBondContact O-CB 3.29Å; S50-M54 PolarHBondContact O-N 3.23Å; Y51-M54 HydrophobicContact CD2-CE 4.21Å; Y51-M54 CarbonylContact O-C 3.3Å; Y51-M54 WeakPolarHBondContact O-CA 3.36Å; Y51-M54 WeakPolarHBondContact O-CB 3.34Å; Y51-M54 PolarHBondContact O-N 3.1Å; M54-L56 PolarHBondContact O-N 2.86Å; M54-F57 CarbonylContact O-C 3.56Å; M54-F57 PolarHBondContact O-N 2.68Å; M54-F57 VanDerWaalsContact O-N 3.1Å; M54-L58 HydrophobicContact CG-CD1 4.24Å; M54-L58 PolarHBondContact O-N 3.04Å |
| 55 | A | 73.9 | Confident | 74.7 | Confident | 42 Ų | 42 | 74.3 Ų | 74.3 | 35% | 0.347 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y51 K52 F57 L58 E59 | Y51-A55 PolarHBondContact O-N 3Å; K52-A55 PolarHBondContact O-N 3.13Å; A55-F57 PolarHBondContact O-N 3.44Å; A55-L58 CarbonylContact O-C 3.48Å; A55-L58 WeakPolarHBondContact O-CA 3.17Å; A55-L58 PolarHBondContact O-N 2.95Å; A55-E59 PolarHBondContact O-N 3.06Å |
| 56 | L | 72.1 | Confident | 75.7 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -22.6 | 174.9 | -70.4 | 165.9 | 0 | 0 | 0 | 114 | K52 M54 L142 | K52-L56 WeakPolarHBondContact O-CG 3.37Å; K52-L56 PolarHBondContact O-N 3.36Å; M54-L56 PolarHBondContact O-N 2.86Å; L56-L142 HydrophobicContact CD1-CD1 4.32Å |
| 57 | F | 72.3 | Confident | 76.5 | Confident | 149 Ų | 149 | 73.8 Ų | 73.8 | 65% | 0.654 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -88 | -21.6 | 171.1 | -72 | -50.7 | 0 | 0 | 0 | 113.1 | R53 M54 A55 | R53-F57 HydrophobicContact CG-CD2 4.03Å; R53-F57 HydrophobicContact CG-CE2 3.63Å; R53-F57 WeakPolarHBondContact O-CD2 3.35Å; R53-F57 PolarHBondContact O-N 3.18Å; M54-F57 CarbonylContact O-C 3.56Å; M54-F57 PolarHBondContact O-N 2.68Å; M54-F57 VanDerWaalsContact O-N 3.1Å; A55-F57 PolarHBondContact O-N 3.44Å |
| 58 | L | 76 | Confident | 77.1 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -84.1 | -24.7 | 173.3 | -103.1 | 63.8 | 0 | 0 | 0 | 112.9 | M54 A55 V61 V62 | M54-L58 HydrophobicContact CG-CD1 4.24Å; M54-L58 PolarHBondContact O-N 3.04Å; A55-L58 CarbonylContact O-C 3.48Å; A55-L58 WeakPolarHBondContact O-CA 3.17Å; A55-L58 PolarHBondContact O-N 2.95Å; L58-V61 CarbonylContact O-C 3.5Å; L58-V61 WeakPolarHBondContact O-CA 3.41Å; L58-V61 VanDerWaalsContact O-CB 3.3Å; L58-V61 WeakPolarHBondContact O-CB 3.35Å; L58-V61 PolarHBondContact O-N 2.84Å; L58-V62 PolarHBondContact O-N 2.93Å |
| 59 | E | 76.1 | Confident | 77.7 | Confident | 97 Ų | 97 | 80.9 Ų | 80.9 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -41.5 | -55.8 | 176.3 | -172.2 | 174 | -154.9 | 0 | 0 | 113.4 | A55 V61 V62 D63 | A55-E59 PolarHBondContact O-N 3.06Å; E59-V61 VanDerWaalsContact C-N 3.25Å; E59-V61 PolarHBondContact O-N 3.5Å; E59-V62 PolarHBondContact O-N 3.14Å; E59-V62 VanDerWaalsContact O-N 3.15Å; E59-D63 PolarHBondContact O-N 3.36Å |
| 60 | P | 79.8 | Confident | 78.4 | Confident | 79 Ų | 79 | 85.9 Ų | 85.9 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.5 | -19.3 | 176.8 | 28.1 | -37.4 | 0 | 0 | 0 | 114.7 | A64 | P60-A64 WeakPolarHBondContact O-CB 3.43Å; P60-A64 PolarHBondContact O-N 3.29Å; P60-A64 VanDerWaalsContact O-N 3.17Å |
| 61 | V | 80.4 | Confident | 79.1 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -80.6 | -38.7 | 173.5 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | L58 E59 A64 V65 | L58-V61 CarbonylContact O-C 3.5Å; L58-V61 WeakPolarHBondContact O-CA 3.41Å; L58-V61 VanDerWaalsContact O-CB 3.3Å; L58-V61 WeakPolarHBondContact O-CB 3.35Å; L58-V61 PolarHBondContact O-N 2.84Å; E59-V61 VanDerWaalsContact C-N 3.25Å; E59-V61 PolarHBondContact O-N 3.5Å; V61-A64 PolarHBondContact O-N 3.47Å; V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.36Å |
| 62 | V | 79.8 | Confident | 79.7 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | L58 E59 A64 V65 E66 | L58-V62 PolarHBondContact O-N 2.93Å; E59-V62 PolarHBondContact O-N 3.14Å; E59-V62 VanDerWaalsContact O-N 3.15Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 3.22Å; V62-V65 PolarHBondContact O-N 3.02Å; V62-E66 VanDerWaalsContact O-CB 3.3Å; V62-E66 WeakPolarHBondContact O-CB 3.39Å; V62-E66 PolarHBondContact O-N 2.82Å |
| 63 | D | 83.1 | Confident | 80.2 | Confident | 105 Ų | 105 | 81.2 Ų | 81.2 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.8 | -44 | 174.3 | -71.3 | -19.8 | 0 | 0 | 0 | 112 | E59 E66 L67 | E59-D63 PolarHBondContact O-N 3.36Å; D63-E66 PolarHBondContact O-N 2.83Å; D63-L67 WeakPolarHBondContact O-CB 3.4Å; D63-L67 PolarHBondContact O-N 3.12Å |
| 64 | A | 81.9 | Confident | 80.7 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P60 V61 V62 E66 L67 I68 | P60-A64 WeakPolarHBondContact O-CB 3.43Å; P60-A64 PolarHBondContact O-N 3.29Å; P60-A64 VanDerWaalsContact O-N 3.17Å; V61-A64 PolarHBondContact O-N 3.47Å; V62-A64 VanDerWaalsContact C-N 3.33Å; V62-A64 PolarHBondContact O-N 3.22Å; A64-E66 VanDerWaalsContact C-N 3.34Å; A64-L67 PolarHBondContact O-N 3.23Å; A64-I68 WeakPolarHBondContact O-CB 3.28Å; A64-I68 WeakPolarHBondContact O-CD1 3.49Å; A64-I68 WeakPolarHBondContact O-CG1 3.32Å; A64-I68 PolarHBondContact O-N 3.11Å |
| 65 | V | 84.5 | Confident | 81.1 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 42% | 0.418 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.2 | -34.4 | 176.2 | 168 | 0 | 0 | 0 | 0 | 111.5 | V61 V62 R69 | V61-V65 WeakPolarHBondContact O-CB 3.41Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.36Å; V62-V65 PolarHBondContact O-N 3.02Å; V65-R69 WeakPolarHBondContact O-CB 2.99Å; V65-R69 WeakPolarHBondContact O-CG 3.41Å; V65-R69 PolarHBondContact O-N 2.95Å; V65-R69 PolarHBondContact O-NE 3.03Å |
| 66 | E | 87.1 | Confident | 81.5 | Confident | 63 Ų | 63 | 81.5 Ų | 81.5 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 173.5 | -166.1 | 64.6 | -112.2 | 0 | 0 | 111.1 | V62 D63 A64 I68 R69 Y70 | V62-E66 VanDerWaalsContact O-CB 3.3Å; V62-E66 WeakPolarHBondContact O-CB 3.39Å; V62-E66 PolarHBondContact O-N 2.82Å; D63-E66 PolarHBondContact O-N 2.83Å; A64-E66 VanDerWaalsContact C-N 3.34Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 2.78Å; E66-R69 CarbonylContact O-C 3.48Å; E66-R69 WeakPolarHBondContact O-CA 3.48Å; E66-R69 PolarHBondContact O-N 3.13Å; E66-R69 VanDerWaalsContact O-N 3.07Å; E66-R69 IonicContact OE1-CZ 3.07Å; E66-R69 IonicContact OE1-NH1 3.05Å; E66-R69 PolarHBondContact OE1-NH1 2.94Å; E66-R69 IonicContact OE1-NH2 3.64Å; E66-R69 IonicContact OE2-CZ 2.77Å; E66-R69 IonicContact OE2-NH1 2.71Å; E66-R69 PolarHBondContact OE2-NH1 3.16Å; E66-R69 IonicContact OE2-NH2 3.78Å; E66-R69 PolarHBondContact OE2-NH2 3.47Å; E66-Y70 HydrophobicContact CG-CD2 3.88Å; E66-Y70 HydrophobicContact CG-CE2 3.55Å; E66-Y70 VanDerWaalsContact O-CD2 3.28Å; E66-Y70 WeakPolarHBondContact O-CD2 3.29Å; E66-Y70 PolarHBondContact O-N 3.31Å |
| 67 | L | 85.9 | Confident | 81.9 | Confident | 104 Ų | 104 | 81.2 Ų | 81.2 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 173.4 | 178.2 | 61.7 | 0 | 0 | 0 | 112.1 | D63 A64 R69 Y70 L71 | D63-L67 WeakPolarHBondContact O-CB 3.4Å; D63-L67 PolarHBondContact O-N 3.12Å; A64-L67 PolarHBondContact O-N 3.23Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-Y70 PolarHBondContact O-N 2.89Å; L67-L71 HydrophobicContact CD1-CD1 4.41Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.96Å |
| 68 | I | 84.9 | Confident | 82.4 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 48% | 0.477 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.2 | -72.1 | 163.9 | 0 | 0 | 0 | 110.3 | A64 E66 L71 L72 | A64-I68 WeakPolarHBondContact O-CB 3.28Å; A64-I68 WeakPolarHBondContact O-CD1 3.49Å; A64-I68 WeakPolarHBondContact O-CG1 3.32Å; A64-I68 PolarHBondContact O-N 3.11Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 2.78Å; I68-L71 PolarHBondContact O-N 2.83Å; I68-L72 HydrophobicContact CG2-CD1 3.69Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.48Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.39Å; I68-L72 PolarHBondContact O-N 2.89Å |
| 69 | R | 84.9 | Confident | 82.9 | Confident | 117 Ų | 117 | 77.2 Ų | 77.2 | 44% | 0.442 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.5 | -31.5 | 175.6 | -76.7 | -176.5 | -74.3 | 106.6 | -0.1 | 113.3 | V65 E66 L67 G73 | V65-R69 WeakPolarHBondContact O-CB 2.99Å; V65-R69 WeakPolarHBondContact O-CG 3.41Å; V65-R69 PolarHBondContact O-N 2.95Å; V65-R69 PolarHBondContact O-NE 3.03Å; E66-R69 CarbonylContact O-C 3.48Å; E66-R69 WeakPolarHBondContact O-CA 3.48Å; E66-R69 PolarHBondContact O-N 3.13Å; E66-R69 VanDerWaalsContact O-N 3.07Å; E66-R69 IonicContact OE1-CZ 3.07Å; E66-R69 IonicContact OE1-NH1 3.05Å; E66-R69 PolarHBondContact OE1-NH1 2.94Å; E66-R69 IonicContact OE1-NH2 3.64Å; E66-R69 IonicContact OE2-CZ 2.77Å; E66-R69 IonicContact OE2-NH1 2.71Å; E66-R69 PolarHBondContact OE2-NH1 3.16Å; E66-R69 IonicContact OE2-NH2 3.78Å; E66-R69 PolarHBondContact OE2-NH2 3.47Å; L67-R69 VanDerWaalsContact C-N 3.34Å; R69-G73 VanDerWaalsContact O-CA 3.31Å; R69-G73 WeakPolarHBondContact O-CA 3.06Å; R69-G73 PolarHBondContact O-N 3.28Å |
| 70 | Y | 84.6 | Confident | 83.5 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 50% | 0.502 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 172.6 | -85.1 | -61.4 | 0 | 0 | 0 | 112.7 | E66 L67 W74 K75 | E66-Y70 HydrophobicContact CG-CD2 3.88Å; E66-Y70 HydrophobicContact CG-CE2 3.55Å; E66-Y70 VanDerWaalsContact O-CD2 3.28Å; E66-Y70 WeakPolarHBondContact O-CD2 3.29Å; E66-Y70 PolarHBondContact O-N 3.31Å; L67-Y70 PolarHBondContact O-N 2.89Å; Y70-W74 PolarHBondContact O-N 3.02Å; Y70-K75 HydrophobicContact CD1-CB 3.84Å; Y70-K75 HydrophobicContact CD1-CG 3.78Å; Y70-K75 HydrophobicContact CE1-CG 4.35Å; Y70-K75 PolarHBondContact O-N 2.93Å |
| 71 | L | 84 | Confident | 83.8 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.5 | -46.9 | 177 | -69.9 | 167.7 | 0 | 0 | 0 | 111.9 | L67 I68 G73 W74 C79 S80 V83 F220 | L67-L71 HydrophobicContact CD1-CD1 4.41Å; L67-L71 HydrophobicContact CG-CD1 4.31Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 2.96Å; I68-L71 PolarHBondContact O-N 2.83Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.46Å; L71-W74 PolarHBondContact O-N 3.04Å; L71-C79 HydrophobicContact CD2-CB 4.47Å; L71-S80 WeakPolarHBondContact O-CB 3.3Å; L71-S80 PolarHBondContact O-OG 3.06Å; L71-S80 VanDerWaalsContact O-OG 3.11Å; L71-V83 HydrophobicContact CD2-CG2 4.37Å; L71-F220 HydrophobicContact CB-CE1 4.45Å |
| 72 | L | 83.4 | Confident | 84.1 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.7 | -27.2 | 175 | -63.9 | 173.5 | 0 | 0 | 0 | 112.4 | I68 W74 V219 F220 N223 | I68-L72 HydrophobicContact CG2-CD1 3.69Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.48Å; I68-L72 VanDerWaalsContact O-CG 3.27Å; I68-L72 WeakPolarHBondContact O-CG 3.39Å; I68-L72 PolarHBondContact O-N 2.89Å; L72-W74 VanDerWaalsContact O-CD1 3.32Å; L72-W74 PolarHBondContact O-N 2.93Å; L72-V219 HydrophobicContact CD2-CG1 3.57Å; L72-F220 HydrophobicContact CD2-CD1 4.39Å; L72-F220 HydrophobicContact CD2-CD2 4.06Å; L72-F220 HydrophobicContact CD2-CE1 4.39Å; L72-F220 HydrophobicContact CD2-CE2 4.05Å; L72-F220 HydrophobicContact CD2-CG 4.23Å; L72-F220 HydrophobicContact CD2-CZ 4.23Å; L72-N223 PolarHBondContact O-ND2 3.39Å |
| 73 | G | 83.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R69 L71 K75 | R69-G73 VanDerWaalsContact O-CA 3.31Å; R69-G73 WeakPolarHBondContact O-CA 3.06Å; R69-G73 PolarHBondContact O-N 3.28Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.46Å; G73-K75 PolarHBondContact O-N 3.36Å |
| 74 | W | 82.8 | Confident | 84.8 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 21.8 | -178.2 | -71.7 | 81.9 | 0 | 0 | 0 | 115.2 | Y70 L71 L72 M76 P77 L81 F220 L221 D225 F226 V229 | Y70-W74 PolarHBondContact O-N 3.02Å; L71-W74 PolarHBondContact O-N 3.04Å; L72-W74 VanDerWaalsContact O-CD1 3.32Å; L72-W74 PolarHBondContact O-N 2.93Å; W74-M76 PolarHBondContact O-N 2.77Å; W74-P77 HydrophobicContact CE3-CB 4.08Å; W74-P77 WeakPolarHBondContact O-CD 3.24Å; W74-L81 HydrophobicContact CH2-CB 4.23Å; W74-L81 HydrophobicContact CH2-CD1 4.17Å; W74-L81 HydrophobicContact CZ3-CB 4Å; W74-F220 HydrophobicContact CZ2-CB 4.27Å; W74-F220 HydrophobicContact CZ2-CD1 4.31Å; W74-F220 PolarHBondContact NE1-O 3.36Å; W74-L221 HydrophobicContact CZ2-CD2 4.26Å; W74-D225 HydrophobicContact CB-CB 4.48Å; W74-F226 HydrophobicContact CD2-CB 4.3Å; W74-F226 AromaticContact CD2-CD2 3.8Å; W74-F226 HydrophobicContact CD2-CD2 3.8Å; W74-F226 AromaticContact CE2-CD2 3.51Å; W74-F226 AromaticContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CG-CB 4.26Å; W74-F226 AromaticContact CH2-CD2 3.62Å; W74-F226 HydrophobicContact CH2-CD2 3.62Å; W74-F226 AromaticContact CH2-CE2 3.7Å; W74-F226 HydrophobicContact CH2-CE2 3.7Å; W74-F226 AromaticContact CZ2-CD2 3.43Å; W74-F226 HydrophobicContact CZ2-CD2 3.43Å; W74-F226 VanDerWaalsContact CZ2-CD2 3.43Å; W74-F226 AromaticContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CG 4.2Å; W74-F226 AromaticContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CE2 4.05Å; W74-V229 HydrophobicContact CB-CG2 4.1Å; W74-V229 HydrophobicContact CE3-CG1 4.36Å |
| 75 | K | 82.3 | Confident | 85.1 | Confident | 131 Ų | 131 | 70.4 Ų | 70.4 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -66.5 | -24.4 | -175.4 | -59.1 | -61.6 | -175.1 | -178.5 | 0 | 112.6 | Y70 G73 | Y70-K75 HydrophobicContact CD1-CB 3.84Å; Y70-K75 HydrophobicContact CD1-CG 3.78Å; Y70-K75 HydrophobicContact CE1-CG 4.35Å; Y70-K75 PolarHBondContact O-N 2.93Å; G73-K75 PolarHBondContact O-N 3.36Å |
| 76 | M | 81.9 | Confident | 85.3 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 60% | 0.601 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -120.9 | 87.4 | 164.7 | -64.8 | -170.5 | 76.9 | 0 | 0 | 108.2 | W74 V78 C79 S80 | W74-M76 PolarHBondContact O-N 2.77Å; M76-V78 PolarHBondContact O-N 2.96Å; M76-C79 HydrophobicContact CB-CB 3.97Å; M76-C79 PolarHBondContact O-N 3.44Å; M76-S80 WeakPolarHBondContact O-CB 3.25Å; M76-S80 PolarHBondContact O-N 2.88Å; M76-S80 PolarHBondContact O-OG 3.34Å |
| 77 | P | 80.9 | Confident | 85.4 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 34% | 0.338 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | -163.1 | 24.6 | -34.6 | 0 | 0 | 0 | 113.1 | W74 S80 L81 V229 | W74-P77 HydrophobicContact CE3-CB 4.08Å; W74-P77 WeakPolarHBondContact O-CD 3.24Å; P77-S80 PolarHBondContact O-N 2.97Å; P77-L81 WeakPolarHBondContact O-CB 3.42Å; P77-L81 PolarHBondContact O-N 2.98Å; P77-V229 HydrophobicContact CB-CG1 3.51Å; P77-V229 HydrophobicContact CB-CG2 4.21Å; P77-V229 HydrophobicContact CG-CG1 4.31Å |
| 78 | V | 82.8 | Confident | 85.5 | Confident | 100 Ų | 100 | 69 Ų | 69 | 61% | 0.606 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | M76 S80 L81 L82 | M76-V78 PolarHBondContact O-N 2.96Å; V78-S80 VanDerWaalsContact C-N 3.35Å; V78-S80 PolarHBondContact O-N 3.19Å; V78-L81 PolarHBondContact O-N 2.87Å; V78-L82 HydrophobicContact CG1-CD1 3.99Å; V78-L82 HydrophobicContact CG1-CG 4.47Å; V78-L82 WeakPolarHBondContact O-CB 3.33Å; V78-L82 VanDerWaalsContact O-CG 3.27Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 3.34Å |
| 79 | C | 85.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L71 M76 L82 V83 | L71-C79 HydrophobicContact CD2-CB 4.47Å; M76-C79 HydrophobicContact CB-CB 3.97Å; M76-C79 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 2.83Å; C79-V83 WeakPolarHBondContact O-CB 3.4Å; C79-V83 VanDerWaalsContact O-CG2 3.3Å; C79-V83 WeakPolarHBondContact O-CG2 3.32Å; C79-V83 PolarHBondContact O-N 2.77Å |
| 80 | S | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 178.2 | -49.8 | 0 | 0 | 0 | 0 | 111.2 | L71 M76 P77 V78 C84 | L71-S80 WeakPolarHBondContact O-CB 3.3Å; L71-S80 PolarHBondContact O-OG 3.06Å; L71-S80 VanDerWaalsContact O-OG 3.11Å; M76-S80 WeakPolarHBondContact O-CB 3.25Å; M76-S80 PolarHBondContact O-N 2.88Å; M76-S80 PolarHBondContact O-OG 3.34Å; P77-S80 PolarHBondContact O-N 2.97Å; V78-S80 VanDerWaalsContact C-N 3.35Å; V78-S80 PolarHBondContact O-N 3.19Å; S80-C84 VanDerWaalsContact O-CB 3.28Å; S80-C84 WeakPolarHBondContact O-CB 3.43Å; S80-C84 PolarHBondContact O-N 2.75Å |
| 81 | L | 85.8 | Confident | 85.8 | Confident | 91 Ų | 91 | 61.6 Ų | 61.6 | 48% | 0.476 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 174.3 | -175.2 | 65.5 | 0 | 0 | 0 | 112 | W74 P77 V78 V83 C84 V85 | W74-L81 HydrophobicContact CH2-CB 4.23Å; W74-L81 HydrophobicContact CH2-CD1 4.17Å; W74-L81 HydrophobicContact CZ3-CB 4Å; P77-L81 WeakPolarHBondContact O-CB 3.42Å; P77-L81 PolarHBondContact O-N 2.98Å; V78-L81 PolarHBondContact O-N 2.87Å; L81-V83 PolarHBondContact O-N 3.1Å; L81-C84 PolarHBondContact O-N 3.18Å; L81-V85 HydrophobicContact CD1-CG2 4.28Å; L81-V85 HydrophobicContact CG-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CB 3.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 3.22Å |
| 82 | L | 87.1 | Confident | 85.7 | Confident | 115 Ų | 115 | 62.4 Ų | 62.4 | 60% | 0.602 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 178.9 | -74 | 170.7 | 0 | 0 | 0 | 112 | V78 C79 F86 | V78-L82 HydrophobicContact CG1-CD1 3.99Å; V78-L82 HydrophobicContact CG1-CG 4.47Å; V78-L82 WeakPolarHBondContact O-CB 3.33Å; V78-L82 VanDerWaalsContact O-CG 3.27Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 3.34Å; C79-L82 PolarHBondContact O-N 2.83Å; L82-F86 WeakPolarHBondContact O-CB 3.13Å; L82-F86 PolarHBondContact O-N 2.91Å |
| 83 | V | 88.9 | Confident | 85.7 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 175 | 170.2 | 0 | 0 | 0 | 0 | 111 | L71 C79 L81 F86 L87 F220 | L71-V83 HydrophobicContact CD2-CG2 4.37Å; C79-V83 WeakPolarHBondContact O-CB 3.4Å; C79-V83 VanDerWaalsContact O-CG2 3.3Å; C79-V83 WeakPolarHBondContact O-CG2 3.32Å; C79-V83 PolarHBondContact O-N 2.77Å; L81-V83 PolarHBondContact O-N 3.1Å; V83-F86 PolarHBondContact O-N 2.87Å; V83-L87 HydrophobicContact CG1-CD1 3.8Å; V83-L87 HydrophobicContact CG1-CG 4.35Å; V83-L87 WeakPolarHBondContact O-CB 3.38Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.37Å; V83-L87 PolarHBondContact O-N 3.28Å; V83-F220 HydrophobicContact CG1-CZ 4Å |
| 84 | C | 88.8 | Confident | 85.7 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176.3 | -177 | 0 | 0 | 0 | 0 | 111.8 | S80 L81 F86 L87 N88 F220 | S80-C84 VanDerWaalsContact O-CB 3.28Å; S80-C84 WeakPolarHBondContact O-CB 3.43Å; S80-C84 PolarHBondContact O-N 2.75Å; L81-C84 PolarHBondContact O-N 3.18Å; C84-F86 PolarHBondContact O-N 2.78Å; C84-L87 PolarHBondContact O-N 2.97Å; C84-N88 WeakPolarHBondContact O-CB 3.38Å; C84-N88 PolarHBondContact O-N 2.95Å; C84-N88 PolarHBondContact O-ND2 2.99Å; C84-N88 PolarHBondContact SG-ND2 3.07Å; C84-F220 HydrophobicContact CB-CB 4.34Å; C84-F220 HydrophobicContact CB-CD1 3.86Å; C84-F220 HydrophobicContact CB-CD2 4.25Å; C84-F220 HydrophobicContact CB-CE1 4.18Å; C84-F220 HydrophobicContact CB-CG 3.89Å |
| 85 | V | 88 | Confident | 85.7 | Confident | 80 Ų | 80 | 69.5 Ų | 69.5 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L81 N88 V89 | L81-V85 HydrophobicContact CD1-CG2 4.28Å; L81-V85 HydrophobicContact CG-CG2 4.45Å; L81-V85 WeakPolarHBondContact O-CB 3.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 3.22Å; V85-N88 PolarHBondContact O-N 3Å; V85-V89 HydrophobicContact CG1-CG2 4.45Å; V85-V89 WeakPolarHBondContact O-CG2 3.48Å; V85-V89 PolarHBondContact O-N 3.07Å |
| 86 | F | 89.1 | Confident | 85.5 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.1 | -47.9 | 175.7 | 174.8 | -96.5 | 0 | 0 | 0 | 111.9 | L82 V83 C84 V89 F90 | L82-F86 WeakPolarHBondContact O-CB 3.13Å; L82-F86 PolarHBondContact O-N 2.91Å; V83-F86 PolarHBondContact O-N 2.87Å; C84-F86 PolarHBondContact O-N 2.78Å; F86-V89 PolarHBondContact O-N 3.35Å; F86-F90 WeakPolarHBondContact O-CB 3.4Å; F86-F90 PolarHBondContact O-N 3.01Å |
| 87 | L | 89.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 179.3 | -72.1 | 172.5 | 0 | 0 | 0 | 112.1 | V83 C84 F90 F91 F220 | V83-L87 HydrophobicContact CG1-CD1 3.8Å; V83-L87 HydrophobicContact CG1-CG 4.35Å; V83-L87 WeakPolarHBondContact O-CB 3.38Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.37Å; V83-L87 PolarHBondContact O-N 3.28Å; C84-L87 PolarHBondContact O-N 2.97Å; L87-F90 PolarHBondContact O-N 3.38Å; L87-F91 HydrophobicContact CB-CD2 4.46Å; L87-F91 HydrophobicContact CB-CE2 3.98Å; L87-F91 HydrophobicContact CD2-CZ 4.21Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 WeakPolarHBondContact O-CG 3.37Å; L87-F91 PolarHBondContact O-N 2.79Å; L87-F220 HydrophobicContact CD1-CE2 4.32Å |
| 88 | N | 88.3 | Confident | 85.4 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 16% | 0.16 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 174.4 | -83.3 | -86 | 0 | 0 | 0 | 112.1 | C84 V85 F90 F91 C92 A213 N216 S217 | C84-N88 WeakPolarHBondContact O-CB 3.38Å; C84-N88 PolarHBondContact O-N 2.95Å; C84-N88 PolarHBondContact O-ND2 2.99Å; C84-N88 PolarHBondContact SG-ND2 3.07Å; V85-N88 PolarHBondContact O-N 3Å; N88-F90 VanDerWaalsContact C-N 3.33Å; N88-F90 PolarHBondContact O-N 2.8Å; N88-F91 PolarHBondContact O-N 3.38Å; N88-C92 WeakPolarHBondContact O-CB 3.36Å; N88-C92 PolarHBondContact O-N 3.43Å; N88-A213 HydrophobicContact CB-CB 4.46Å; N88-A213 VanDerWaalsContact OD1-C 3.31Å; N88-A213 WeakPolarHBondContact OD1-CA 3.21Å; N88-A213 VanDerWaalsContact OD1-CB 3.32Å; N88-A213 WeakPolarHBondContact OD1-CB 3.49Å; N88-A213 PolarHBondContact OD1-O 3.33Å; N88-N216 PolarHBondContact ND2-OD1 2.93Å; N88-N216 VanDerWaalsContact ND2-OD1 3.1Å; N88-S217 PolarHBondContact ND2-OG 3.24Å; N88-S217 PolarHBondContact OD1-OG 3.46Å |
| 89 | V | 86.7 | Confident | 85.3 | Confident | 85 Ų | 85 | 65.7 Ų | 65.7 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -41 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V85 F86 C92 T93 | V85-V89 HydrophobicContact CG1-CG2 4.45Å; V85-V89 WeakPolarHBondContact O-CG2 3.48Å; V85-V89 PolarHBondContact O-N 3.07Å; F86-V89 PolarHBondContact O-N 3.35Å; V89-C92 PolarHBondContact O-N 3.16Å; V89-T93 HydrophobicContact CG1-CG2 4.31Å; V89-T93 WeakPolarHBondContact O-CB 3.2Å; V89-T93 VanDerWaalsContact O-CG2 3.29Å; V89-T93 WeakPolarHBondContact O-CG2 3.25Å; V89-T93 PolarHBondContact O-N 3.06Å; V89-T93 PolarHBondContact O-OG1 3.21Å |
| 90 | F | 87 | Confident | 85.2 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -52.4 | 177 | -177.5 | -120.6 | 0 | 0 | 0 | 111.1 | F86 L87 N88 C92 T93 I94 V102 | F86-F90 WeakPolarHBondContact O-CB 3.4Å; F86-F90 PolarHBondContact O-N 3.01Å; L87-F90 PolarHBondContact O-N 3.38Å; N88-F90 VanDerWaalsContact C-N 3.33Å; N88-F90 PolarHBondContact O-N 2.8Å; F90-C92 VanDerWaalsContact C-N 3.32Å; F90-C92 PolarHBondContact O-N 3.42Å; F90-T93 PolarHBondContact O-N 2.77Å; F90-T93 VanDerWaalsContact O-N 3.11Å; F90-T93 PolarHBondContact O-OG1 2.98Å; F90-I94 HydrophobicContact CD1-CD1 3.66Å; F90-I94 HydrophobicContact CD2-CD1 3.87Å; F90-I94 HydrophobicContact CD2-CG1 4.12Å; F90-I94 HydrophobicContact CE1-CD1 3.57Å; F90-I94 HydrophobicContact CE2-CD1 3.78Å; F90-I94 HydrophobicContact CE2-CG1 4.11Å; F90-I94 HydrophobicContact CG-CD1 3.82Å; F90-I94 HydrophobicContact CG-CG1 4.44Å; F90-I94 HydrophobicContact CZ-CD1 3.64Å; F90-I94 HydrophobicContact CZ-CG1 4.43Å; F90-I94 WeakPolarHBondContact O-CD1 3.45Å; F90-I94 WeakPolarHBondContact O-CG1 3.48Å; F90-I94 PolarHBondContact O-N 2.89Å; F90-V102 HydrophobicContact CE2-CG2 4.16Å; F90-V102 HydrophobicContact CZ-CG1 4.06Å; F90-V102 HydrophobicContact CZ-CG2 3.75Å |
| 91 | F | 86.3 | Confident | 84.9 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 178.1 | -61.8 | -38.9 | 0 | 0 | 0 | 113 | L87 N88 T93 W99 G209 L212 A213 N216 | L87-F91 HydrophobicContact CB-CD2 4.46Å; L87-F91 HydrophobicContact CB-CE2 3.98Å; L87-F91 HydrophobicContact CD2-CZ 4.21Å; L87-F91 WeakPolarHBondContact O-CB 3.47Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 WeakPolarHBondContact O-CG 3.37Å; L87-F91 PolarHBondContact O-N 2.79Å; N88-F91 PolarHBondContact O-N 3.38Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-T93 PolarHBondContact O-N 2.6Å; F91-W99 AromaticContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CZ2 4.15Å; F91-W99 AromaticContact CE1-CH2 3.86Å; F91-W99 HydrophobicContact CE1-CH2 3.86Å; F91-G209 WeakPolarHBondContact O-CA 3.14Å; F91-L212 HydrophobicContact CB-CB 4.08Å; F91-L212 HydrophobicContact CD1-CB 4.4Å; F91-L212 HydrophobicContact CD2-CB 4.14Å; F91-L212 HydrophobicContact CG-CB 3.96Å; F91-A213 HydrophobicContact CB-CB 4.45Å; F91-N216 HydrophobicContact CD2-CB 4.18Å; F91-N216 HydrophobicContact CE2-CB 3.88Å |
| 92 | C | 83.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 35% | 0.345 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -76.2 | -14.3 | 176.2 | -71 | 0 | 0 | 0 | 0 | 114.9 | N88 V89 F90 | N88-C92 WeakPolarHBondContact O-CB 3.36Å; N88-C92 PolarHBondContact O-N 3.43Å; V89-C92 PolarHBondContact O-N 3.16Å; F90-C92 VanDerWaalsContact C-N 3.32Å; F90-C92 PolarHBondContact O-N 3.42Å |
| 93 | T | 82.5 | Confident | 84.6 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 60% | 0.595 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -107.2 | -15.5 | -179.5 | 53 | 0 | 0 | 0 | 0 | 114.3 | V89 F90 F91 T95 | V89-T93 HydrophobicContact CG1-CG2 4.31Å; V89-T93 WeakPolarHBondContact O-CB 3.2Å; V89-T93 VanDerWaalsContact O-CG2 3.29Å; V89-T93 WeakPolarHBondContact O-CG2 3.25Å; V89-T93 PolarHBondContact O-N 3.06Å; V89-T93 PolarHBondContact O-OG1 3.21Å; F90-T93 PolarHBondContact O-N 2.77Å; F90-T93 VanDerWaalsContact O-N 3.11Å; F90-T93 PolarHBondContact O-OG1 2.98Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-T93 PolarHBondContact O-N 2.6Å; T93-T95 PolarHBondContact O-N 3.03Å |
| 94 | I | 83.4 | Confident | 84.6 | Confident | 26 Ų | 26 | 72.7 Ų | 72.7 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | trans | -70.1 | 119.9 | 173.5 | -67.6 | 159.7 | 0 | 0 | 0 | 110.7 | F90 W99 | F90-I94 HydrophobicContact CD1-CD1 3.66Å; F90-I94 HydrophobicContact CD2-CD1 3.87Å; F90-I94 HydrophobicContact CD2-CG1 4.12Å; F90-I94 HydrophobicContact CE1-CD1 3.57Å; F90-I94 HydrophobicContact CE2-CD1 3.78Å; F90-I94 HydrophobicContact CE2-CG1 4.11Å; F90-I94 HydrophobicContact CG-CD1 3.82Å; F90-I94 HydrophobicContact CG-CG1 4.44Å; F90-I94 HydrophobicContact CZ-CD1 3.64Å; F90-I94 HydrophobicContact CZ-CG1 4.43Å; F90-I94 WeakPolarHBondContact O-CD1 3.45Å; F90-I94 WeakPolarHBondContact O-CG1 3.48Å; F90-I94 PolarHBondContact O-N 2.89Å; I94-W99 HydrophobicContact CB-CZ2 4.48Å; I94-W99 HydrophobicContact CD1-CH2 4.15Å; I94-W99 HydrophobicContact CD1-CZ2 4.11Å; I94-W99 HydrophobicContact CD1-CZ3 4.4Å; I94-W99 HydrophobicContact CG2-CB 4.37Å; I94-W99 HydrophobicContact CG2-CD2 3.75Å; I94-W99 HydrophobicContact CG2-CG 3.62Å; I94-W99 HydrophobicContact CG2-CZ2 4.31Å | ||
| 95 | T | 82.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 76 Ų | 76 | 58% | 0.577 | 42% | 0.423 | S | S | * | . | trans | -78.1 | 166.3 | 165.9 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | T93 A97 G98 W99 | T93-T95 PolarHBondContact O-N 3.03Å; T95-A97 PolarHBondContact O-N 2.9Å; T95-G98 WeakPolarHBondContact O-CA 3.14Å; T95-G98 PolarHBondContact O-N 3.08Å; T95-G98 PolarHBondContact OG1-N 2.94Å; T95-W99 PolarHBondContact O-N 3.29Å | ||
| 96 | E | 78.5 | Confident | 84.6 | Confident | 164 Ų | 164 | 75.3 Ų | 75.3 | 77% | 0.766 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -51.5 | -42.9 | 176.3 | -63.3 | 179.5 | 175 | 0 | 0 | 112.8 | G98 W99 F100 | E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.31Å; E96-W99 PolarHBondContact O-N 3.12Å; E96-F100 VanDerWaalsContact O-CD2 3.27Å; E96-F100 WeakPolarHBondContact O-CD2 3.33Å |
| 97 | A | 79.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.1 | -33.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | T95 W99 F100 T101 | T95-A97 PolarHBondContact O-N 2.9Å; A97-W99 VanDerWaalsContact C-N 3.34Å; A97-W99 PolarHBondContact O-N 2.76Å; A97-F100 PolarHBondContact O-N 3.42Å; A97-T101 PolarHBondContact O-N 2.92Å; A97-T101 PolarHBondContact O-OG1 3.4Å |
| 98 | G | 81.8 | Confident | 84.5 | Confident | 17 Ų | 17 | 75 Ų | 75 | 18% | 0.175 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.8 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T95 E96 F100 T101 V102 | T95-G98 WeakPolarHBondContact O-CA 3.14Å; T95-G98 PolarHBondContact O-N 3.08Å; T95-G98 PolarHBondContact OG1-N 2.94Å; E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.31Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.91Å; G98-T101 PolarHBondContact O-N 2.88Å; G98-V102 WeakPolarHBondContact O-CG2 3.41Å; G98-V102 PolarHBondContact O-N 3.49Å |
| 99 | W | 80.7 | Confident | 84.6 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 30% | 0.295 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 175.7 | -75.1 | 106.3 | 0 | 0 | 0 | 112.6 | F91 I94 T95 E96 A97 S103 L212 | F91-W99 AromaticContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CH2 3.62Å; F91-W99 HydrophobicContact CD1-CZ2 4.15Å; F91-W99 AromaticContact CE1-CH2 3.86Å; F91-W99 HydrophobicContact CE1-CH2 3.86Å; I94-W99 HydrophobicContact CB-CZ2 4.48Å; I94-W99 HydrophobicContact CD1-CH2 4.15Å; I94-W99 HydrophobicContact CD1-CZ2 4.11Å; I94-W99 HydrophobicContact CD1-CZ3 4.4Å; I94-W99 HydrophobicContact CG2-CB 4.37Å; I94-W99 HydrophobicContact CG2-CD2 3.75Å; I94-W99 HydrophobicContact CG2-CG 3.62Å; I94-W99 HydrophobicContact CG2-CZ2 4.31Å; T95-W99 PolarHBondContact O-N 3.29Å; E96-W99 PolarHBondContact O-N 3.12Å; A97-W99 VanDerWaalsContact C-N 3.34Å; A97-W99 PolarHBondContact O-N 2.76Å; W99-S103 WeakPolarHBondContact O-CB 3.25Å; W99-S103 PolarHBondContact O-N 2.68Å; W99-S103 PolarHBondContact O-OG 3.18Å; W99-L212 HydrophobicContact CH2-CD1 3.64Å; W99-L212 HydrophobicContact CZ2-CD1 3.44Å; W99-L212 VanDerWaalsContact CZ2-CD1 3.44Å |
| 100 | F | 82.7 | Confident | 84.5 | Confident | 151 Ų | 151 | 75.2 Ų | 75.2 | 66% | 0.662 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 173.5 | -64.2 | -79.9 | 0 | 0 | 0 | 111.4 | E96 A97 G98 V102 S103 V104 | E96-F100 VanDerWaalsContact O-CD2 3.27Å; E96-F100 WeakPolarHBondContact O-CD2 3.33Å; A97-F100 PolarHBondContact O-N 3.42Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.91Å; F100-V102 PolarHBondContact O-N 3.18Å; F100-S103 PolarHBondContact O-N 3.16Å; F100-V104 WeakPolarHBondContact O-CG2 3.47Å; F100-V104 PolarHBondContact O-N 2.82Å |
| 101 | T | 83.7 | Confident | 84.5 | Confident | 91 Ų | 91 | 75.5 Ų | 75.5 | 56% | 0.558 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.6 | -46.3 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | A97 G98 S103 V104 V105 | A97-T101 PolarHBondContact O-N 2.92Å; A97-T101 PolarHBondContact O-OG1 3.4Å; G98-T101 PolarHBondContact O-N 2.88Å; T101-S103 VanDerWaalsContact C-N 3.35Å; T101-S103 PolarHBondContact O-N 3.18Å; T101-V104 PolarHBondContact O-N 2.94Å; T101-V105 WeakPolarHBondContact O-CB 3.47Å; T101-V105 VanDerWaalsContact O-CG2 3.3Å; T101-V105 WeakPolarHBondContact O-CG2 3.47Å; T101-V105 PolarHBondContact O-N 3.09Å |
| 102 | V | 85.5 | Confident | 84.5 | Confident | 49 Ų | 49 | 76 Ų | 76 | 30% | 0.297 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.5 | 170.6 | 0 | 0 | 0 | 0 | 111 | F90 G98 F100 V105 A106 | F90-V102 HydrophobicContact CE2-CG2 4.16Å; F90-V102 HydrophobicContact CZ-CG1 4.06Å; F90-V102 HydrophobicContact CZ-CG2 3.75Å; G98-V102 WeakPolarHBondContact O-CG2 3.41Å; G98-V102 PolarHBondContact O-N 3.49Å; F100-V102 PolarHBondContact O-N 3.18Å; V102-V105 PolarHBondContact O-N 3.01Å; V102-A106 WeakPolarHBondContact O-CB 3.41Å; V102-A106 PolarHBondContact O-N 3.09Å |
| 103 | S | 81.5 | Confident | 84.5 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | W99 F100 T101 A106 V107 | W99-S103 WeakPolarHBondContact O-CB 3.25Å; W99-S103 PolarHBondContact O-N 2.68Å; W99-S103 PolarHBondContact O-OG 3.18Å; F100-S103 PolarHBondContact O-N 3.16Å; T101-S103 VanDerWaalsContact C-N 3.35Å; T101-S103 PolarHBondContact O-N 3.18Å; S103-A106 PolarHBondContact O-N 2.76Å; S103-V107 PolarHBondContact O-N 2.99Å |
| 104 | V | 88.7 | Confident | 84.5 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | F100 T101 V107 S108 | F100-V104 WeakPolarHBondContact O-CG2 3.47Å; F100-V104 PolarHBondContact O-N 2.82Å; T101-V104 PolarHBondContact O-N 2.94Å; V104-V107 PolarHBondContact O-N 2.88Å; V104-S108 WeakPolarHBondContact O-CB 3.35Å; V104-S108 PolarHBondContact O-N 3.31Å; V104-S108 PolarHBondContact O-OG 3.21Å |
| 105 | V | 88.8 | Confident | 84.6 | Confident | 80 Ų | 80 | 80.4 Ų | 80.4 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | T101 V102 V107 S108 A109 | T101-V105 WeakPolarHBondContact O-CB 3.47Å; T101-V105 VanDerWaalsContact O-CG2 3.3Å; T101-V105 WeakPolarHBondContact O-CG2 3.47Å; T101-V105 PolarHBondContact O-N 3.09Å; V102-V105 PolarHBondContact O-N 3.01Å; V105-V107 VanDerWaalsContact C-N 3.3Å; V105-V107 PolarHBondContact O-N 3.22Å; V105-S108 PolarHBondContact O-N 3.28Å; V105-A109 HydrophobicContact CG1-CB 4.32Å; V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 2.86Å |
| 106 | A | 87.2 | Confident | 84.5 | Confident | 64 Ų | 64 | 80.9 Ų | 80.9 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V102 S103 P110 | V102-A106 WeakPolarHBondContact O-CB 3.41Å; V102-A106 PolarHBondContact O-N 3.09Å; S103-A106 PolarHBondContact O-N 2.76Å; A106-P110 WeakPolarHBondContact O-CD 3.5Å; A106-P110 WeakPolarHBondContact O-CG 3.22Å |
| 107 | V | 89.3 | Confident | 84.5 | Confident | 116 Ų | 116 | 78 Ų | 78 | 70% | 0.703 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -85.1 | -40.6 | 176.1 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | S103 V104 V105 | S103-V107 PolarHBondContact O-N 2.99Å; V104-V107 PolarHBondContact O-N 2.88Å; V105-V107 VanDerWaalsContact C-N 3.3Å; V105-V107 PolarHBondContact O-N 3.22Å |
| 108 | S | 87.1 | Confident | 84.4 | Confident | 56 Ų | 56 | 80.1 Ų | 80.1 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -81.6 | -29.5 | -175.1 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | V104 V105 A111 A112 | V104-S108 WeakPolarHBondContact O-CB 3.35Å; V104-S108 PolarHBondContact O-N 3.31Å; V104-S108 PolarHBondContact O-OG 3.21Å; V105-S108 PolarHBondContact O-N 3.28Å; S108-A111 PolarHBondContact O-N 3.01Å; S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.47Å |
| 109 | A | 89.4 | Confident | 84 | Confident | 36 Ų | 36 | 87 Ų | 87 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V105 A111 A112 L113 | V105-A109 HydrophobicContact CG1-CB 4.32Å; V105-A109 WeakPolarHBondContact O-CB 3.15Å; V105-A109 PolarHBondContact O-N 2.86Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 3.08Å; A109-A112 PolarHBondContact O-N 2.97Å; A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.38Å; A109-L113 WeakPolarHBondContact O-CG 3.41Å; A109-L113 PolarHBondContact O-N 3.29Å |
| 110 | P | 86.4 | Confident | 83.3 | Confident | 83 Ų | 83 | 87 Ų | 87 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 172.3 | -24.4 | 35.4 | 0 | 0 | 0 | 112.8 | A106 G114 | A106-P110 WeakPolarHBondContact O-CD 3.5Å; A106-P110 WeakPolarHBondContact O-CG 3.22Å; P110-G114 PolarHBondContact O-N 3.42Å |
| 111 | A | 86.5 | Confident | 82 | Confident | 67 Ų | 67 | 81.7 Ų | 81.7 | 55% | 0.554 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.3 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S108 A109 G114 Y115 | S108-A111 PolarHBondContact O-N 3.01Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 3.08Å; A111-G114 PolarHBondContact O-N 3.14Å; A111-Y115 WeakPolarHBondContact O-CB 3.16Å; A111-Y115 PolarHBondContact O-N 3.45Å |
| 112 | A | 86 | Confident | 80.6 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S108 A109 Y115 L116 | S108-A112 WeakPolarHBondContact O-CB 3.31Å; S108-A112 PolarHBondContact O-N 3.47Å; A109-A112 PolarHBondContact O-N 2.97Å; A112-Y115 PolarHBondContact O-N 3.26Å; A112-L116 VanDerWaalsContact O-CB 3.25Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.44Å |
| 113 | L | 83.2 | Confident | 79.1 | Confident | 101 Ų | 101 | 91.7 Ų | 91.7 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 171.9 | -73.8 | 169.8 | 0 | 0 | 0 | 110.9 | A109 L116 Q117 | A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.38Å; A109-L113 WeakPolarHBondContact O-CG 3.41Å; A109-L113 PolarHBondContact O-N 3.29Å; L113-L116 PolarHBondContact O-N 3.42Å; L113-Q117 VanDerWaalsContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CG 3.4Å; L113-Q117 PolarHBondContact O-N 3.37Å |
| 114 | G | 82.5 | Confident | 77.6 | Confident | 35 Ų | 35 | 90.4 Ų | 90.4 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P110 A111 Q117 D118 | P110-G114 PolarHBondContact O-N 3.42Å; A111-G114 PolarHBondContact O-N 3.14Å; G114-Q117 PolarHBondContact O-N 3.26Å; G114-D118 PolarHBondContact O-N 3.1Å |
| 115 | Y | 84.3 | Confident | 75.9 | Confident | 129 Ų | 129 | 89.2 Ų | 89.2 | 51% | 0.506 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.3 | -178.6 | -106.5 | 0 | 0 | 0 | 112.7 | A111 A112 D118 R119 | A111-Y115 WeakPolarHBondContact O-CB 3.16Å; A111-Y115 PolarHBondContact O-N 3.45Å; A112-Y115 PolarHBondContact O-N 3.26Å; Y115-D118 PolarHBondContact O-N 3.23Å; Y115-R119 HydrophobicContact CD1-CG 4.35Å; Y115-R119 HydrophobicContact CD2-CG 4.44Å; Y115-R119 HydrophobicContact CE1-CG 4Å; Y115-R119 HydrophobicContact CE2-CG 4.08Å; Y115-R119 WeakPolarHBondContact O-CB 3.36Å; Y115-R119 VanDerWaalsContact O-CG 3.3Å; Y115-R119 WeakPolarHBondContact O-CG 3.47Å; Y115-R119 PolarHBondContact O-N 3.49Å; Y115-R119 PolarHBondContact OH-NE 2.86Å; Y115-R119 PolarHBondContact OH-NH2 3Å |
| 116 | L | 80.1 | Confident | 74.4 | Confident | 104 Ų | 104 | 93.4 Ų | 93.4 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 174.7 | -73.1 | 168.2 | 0 | 0 | 0 | 111.8 | A112 L113 D118 C120 | A112-L116 VanDerWaalsContact O-CB 3.25Å; A112-L116 WeakPolarHBondContact O-CB 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.48Å; A112-L116 PolarHBondContact O-N 3.44Å; L113-L116 PolarHBondContact O-N 3.42Å; L116-D118 VanDerWaalsContact C-N 3.34Å; L116-C120 WeakPolarHBondContact O-CA 3.34Å; L116-C120 WeakPolarHBondContact O-CB 3.23Å; L116-C120 PolarHBondContact O-N 3.11Å |
| 117 | Q | 79.3 | Confident | 73 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.5 | -30.8 | 172.5 | -77.4 | 174.6 | 4.6 | 0 | 0 | 112.4 | L113 G114 G121 | L113-Q117 VanDerWaalsContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CB 3.25Å; L113-Q117 WeakPolarHBondContact O-CG 3.4Å; L113-Q117 PolarHBondContact O-N 3.37Å; G114-Q117 PolarHBondContact O-N 3.26Å; Q117-G121 WeakPolarHBondContact O-CA 3.22Å; Q117-G121 PolarHBondContact O-N 2.93Å |
| 118 | D | 77.5 | Confident | 71.6 | Confident | 110 Ų | 110 | 92 Ų | 92 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.2 | -52.6 | 172.5 | -171.6 | 67.7 | 0 | 0 | 0 | 111 | G114 Y115 L116 G121 | G114-D118 PolarHBondContact O-N 3.1Å; Y115-D118 PolarHBondContact O-N 3.23Å; L116-D118 VanDerWaalsContact C-N 3.34Å; D118-G121 PolarHBondContact O-N 3.27Å |
| 119 | R | 74.6 | Confident | 70.4 | Confident | 162 Ų | 162 | 93.6 Ų | 93.6 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | -179.9 | -68.2 | -60.6 | -162.8 | 160.4 | 4.2 | 113.6 | Y115 | Y115-R119 HydrophobicContact CD1-CG 4.35Å; Y115-R119 HydrophobicContact CD2-CG 4.44Å; Y115-R119 HydrophobicContact CE1-CG 4Å; Y115-R119 HydrophobicContact CE2-CG 4.08Å; Y115-R119 WeakPolarHBondContact O-CB 3.36Å; Y115-R119 VanDerWaalsContact O-CG 3.3Å; Y115-R119 WeakPolarHBondContact O-CG 3.47Å; Y115-R119 PolarHBondContact O-N 3.49Å; Y115-R119 PolarHBondContact OH-NE 2.86Å; Y115-R119 PolarHBondContact OH-NH2 3Å |
| 120 | C | 64.8 | Low | 68.9 | Low | 77 Ų | 77 | 97.5 Ų | 97.5 | 52% | 0.52 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.5 | -17 | 176.7 | -153 | 0 | 0 | 0 | 0 | 111.6 | L116 S122 R123 A124 | L116-C120 WeakPolarHBondContact O-CA 3.34Å; L116-C120 WeakPolarHBondContact O-CB 3.23Å; L116-C120 PolarHBondContact O-N 3.11Å; C120-S122 PolarHBondContact O-N 2.64Å; C120-R123 CarbonylContact O-C 3.6Å; C120-R123 WeakPolarHBondContact O-CA 3.3Å; C120-R123 PolarHBondContact O-N 3.32Å; C120-A124 WeakPolarHBondContact O-CB 3.45Å; C120-A124 PolarHBondContact O-N 2.84Å |
| 121 | G | 55.1 | Low | 67.9 | Low | 40 Ų | 40 | 99.3 Ų | 99.3 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q117 D118 R123 | Q117-G121 WeakPolarHBondContact O-CA 3.22Å; Q117-G121 PolarHBondContact O-N 2.93Å; D118-G121 PolarHBondContact O-N 3.27Å; G121-R123 PolarHBondContact O-N 2.8Å |
| 122 | S | 55.2 | Low | 66.8 | Low | 116 Ų | 116 | 102.9 Ų | 102.9 | 81% | 0.811 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.2 | 168.2 | -166.9 | 0 | 0 | 0 | 0 | 113.4 | C120 | C120-S122 PolarHBondContact O-N 2.64Š|
| 123 | R | 54.4 | Low | 65.5 | Low | 235 Ų | 235 | 108.3 Ų | 108.3 | 89% | 0.887 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | -15.6 | 172.7 | -84.2 | -176.2 | 166.4 | 179.9 | -4.6 | 114.8 | C120 G121 S125 | C120-R123 CarbonylContact O-C 3.6Å; C120-R123 WeakPolarHBondContact O-CA 3.3Å; C120-R123 PolarHBondContact O-N 3.32Å; G121-R123 PolarHBondContact O-N 2.8Å; R123-S125 PolarHBondContact O-N 2.91Å |
| 124 | A | 49.5 | Very low | 64.4 | Low | 41 Ų | 41 | 109.6 Ų | 109.6 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -77.3 | 94.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C120 | C120-A124 WeakPolarHBondContact O-CB 3.45Å; C120-A124 PolarHBondContact O-N 2.84Å |
| 125 | S | 53.8 | Low | 63.2 | Low | 72 Ų | 72 | 112.6 Ų | 112.6 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | trans | 55.2 | 125.4 | 158.6 | -163.2 | 0 | 0 | 0 | 0 | 118.5 | R123 A127 E128 L129 | R123-S125 PolarHBondContact O-N 2.91Å; S125-A127 PolarHBondContact O-N 3.42Å; S125-A127 VanDerWaalsContact O-N 3.11Å; S125-A127 WeakPolarHBondContact OG-CB 3.39Å; S125-A127 PolarHBondContact OG-N 2.87Å; S125-E128 WeakPolarHBondContact O-CB 3.5Å; S125-E128 PolarHBondContact O-N 2.97Å; S125-L129 PolarHBondContact O-N 2.89Å | ||
| 126 | E | 57.5 | Low | 62 | Low | 167 Ų | 167 | 108.4 Ų | 108.4 | 78% | 0.78 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.4 | -24.6 | 167.6 | -63.5 | -175.3 | 116 | 0 | 0 | 112.4 | L129 Q130 | E126-L129 CarbonylContact O-C 3.57Å; E126-L129 PolarHBondContact O-N 3.03Å; E126-Q130 WeakPolarHBondContact O-CB 3.21Å; E126-Q130 PolarHBondContact O-N 3.22Å |
| 127 | A | 56.4 | Low | 60.9 | Low | 63 Ų | 63 | 106.9 Ų | 106.9 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | S125 Q130 K131 | S125-A127 PolarHBondContact O-N 3.42Å; S125-A127 VanDerWaalsContact O-N 3.11Å; S125-A127 WeakPolarHBondContact OG-CB 3.39Å; S125-A127 PolarHBondContact OG-N 2.87Å; A127-Q130 PolarHBondContact O-N 3.46Å; A127-K131 WeakPolarHBondContact O-CB 3.24Å; A127-K131 PolarHBondContact O-N 3.41Å |
| 128 | E | 59.3 | Low | 59.7 | Low | 89 Ų | 89 | 106.5 Ų | 106.5 | 42% | 0.416 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.2 | -140.9 | 69.2 | -118.4 | 0 | 0 | 110.2 | S125 Q130 K131 R132 | S125-E128 WeakPolarHBondContact O-CB 3.5Å; S125-E128 PolarHBondContact O-N 2.97Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-K131 PolarHBondContact O-N 3.39Å; E128-R132 WeakPolarHBondContact O-CB 3.46Å; E128-R132 VanDerWaalsContact O-CG 3.29Å; E128-R132 WeakPolarHBondContact O-CG 3.2Å; E128-R132 PolarHBondContact O-N 2.88Å |
| 129 | L | 61.7 | Low | 58.7 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 173.8 | -167.6 | 72.6 | 0 | 0 | 0 | 111.7 | S125 E126 R133 | S125-L129 PolarHBondContact O-N 2.89Å; E126-L129 CarbonylContact O-C 3.57Å; E126-L129 PolarHBondContact O-N 3.03Å; L129-R133 VanDerWaalsContact O-CB 3.29Å; L129-R133 WeakPolarHBondContact O-CB 3.19Å; L129-R133 WeakPolarHBondContact O-CG 3.09Å; L129-R133 PolarHBondContact O-N 2.93Å |
| 130 | Q | 59.4 | Low | 57.6 | Low | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.3 | -33.4 | 179 | -176.1 | 161.2 | -47.6 | 0 | 0 | 112.4 | E126 A127 E128 H134 | E126-Q130 WeakPolarHBondContact O-CB 3.21Å; E126-Q130 PolarHBondContact O-N 3.22Å; A127-Q130 PolarHBondContact O-N 3.46Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-H134 WeakPolarHBondContact O-CB 3.49Å; Q130-H134 PolarHBondContact O-N 2.89Å; Q130-H134 PolarHBondContact O-ND1 3.43Å; Q130-H134 VanDerWaalsContact O-ND1 3.12Å |
| 131 | K | 65.1 | Low | 57.1 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 53% | 0.526 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.1 | -46.5 | 169.6 | -173.4 | 170.8 | -177.8 | 177.4 | 0 | 111 | A127 E128 R133 H134 H135 | A127-K131 WeakPolarHBondContact O-CB 3.24Å; A127-K131 PolarHBondContact O-N 3.41Å; E128-K131 PolarHBondContact O-N 3.39Å; K131-R133 VanDerWaalsContact C-N 3.3Å; K131-R133 PolarHBondContact O-N 3.08Å; K131-H134 PolarHBondContact O-N 3.13Å; K131-H134 VanDerWaalsContact O-N 3.16Å; K131-H135 WeakPolarHBondContact CE-NE2 3.37Å; K131-H135 PolarHBondContact O-CD2 2.9Å; K131-H135 PolarHBondContact O-N 2.98Å |
| 132 | R | 62.7 | Low | 57 | Low | 142 Ų | 142 | 108.1 Ų | 108.1 | 54% | 0.536 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 171.7 | -72.7 | 178.6 | -175.9 | -158.1 | 2.5 | 111.9 | E128 A136 | E128-R132 WeakPolarHBondContact O-CB 3.46Å; E128-R132 VanDerWaalsContact O-CG 3.29Å; E128-R132 WeakPolarHBondContact O-CG 3.2Å; E128-R132 PolarHBondContact O-N 2.88Å; R132-A136 WeakPolarHBondContact O-CB 3.26Å; R132-A136 PolarHBondContact O-N 2.79Å |
| 133 | R | 59.7 | Low | 56.9 | Low | 161 Ų | 161 | 108.3 Ų | 108.3 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 172.2 | -78.7 | 172.4 | -178.4 | -179.8 | 2.5 | 112 | L129 K131 A136 V137 | L129-R133 VanDerWaalsContact O-CB 3.29Å; L129-R133 WeakPolarHBondContact O-CB 3.19Å; L129-R133 WeakPolarHBondContact O-CG 3.09Å; L129-R133 PolarHBondContact O-N 2.93Å; K131-R133 VanDerWaalsContact C-N 3.3Å; K131-R133 PolarHBondContact O-N 3.08Å; R133-A136 CarbonylContact O-C 3.54Å; R133-A136 PolarHBondContact O-N 2.91Å; R133-V137 WeakPolarHBondContact O-CB 3.44Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.3Å; R133-V137 PolarHBondContact O-N 2.82Å |
| 134 | H | 58.7 | Low | 56.6 | Low | 128 Ų | 128 | 101.5 Ų | 101.5 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.7 | -52.2 | 174.8 | -94.8 | 80.2 | 0 | 0 | 0 | 111.7 | Q130 K131 A136 V137 H138 | Q130-H134 WeakPolarHBondContact O-CB 3.49Å; Q130-H134 PolarHBondContact O-N 2.89Å; Q130-H134 PolarHBondContact O-ND1 3.43Å; Q130-H134 VanDerWaalsContact O-ND1 3.12Å; K131-H134 PolarHBondContact O-N 3.13Å; K131-H134 VanDerWaalsContact O-N 3.16Å; H134-A136 VanDerWaalsContact C-N 3.27Å; H134-A136 PolarHBondContact O-N 2.82Å; H134-V137 PolarHBondContact O-N 3.07Å; H134-H138 VanDerWaalsContact O-CB 3.25Å; H134-H138 WeakPolarHBondContact O-CB 3.36Å; H134-H138 PolarHBondContact O-N 2.89Å |
| 135 | H | 59.2 | Low | 56.7 | Low | 97 Ų | 97 | 103.2 Ų | 103.2 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 176.8 | -64.6 | -67.8 | 0 | 0 | 0 | 112.3 | K131 R139 | K131-H135 WeakPolarHBondContact CE-NE2 3.37Å; K131-H135 PolarHBondContact O-CD2 2.9Å; K131-H135 PolarHBondContact O-N 2.98Å; H135-R139 WeakPolarHBondContact O-CB 3.42Å; H135-R139 PolarHBondContact O-N 3.21Å |
| 136 | A | 59.2 | Low | 56.6 | Low | 42 Ų | 42 | 107.1 Ų | 107.1 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76.2 | -30.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R132 R133 H134 R140 | R132-A136 WeakPolarHBondContact O-CB 3.26Å; R132-A136 PolarHBondContact O-N 2.79Å; R133-A136 CarbonylContact O-C 3.54Å; R133-A136 PolarHBondContact O-N 2.91Å; H134-A136 VanDerWaalsContact C-N 3.27Å; H134-A136 PolarHBondContact O-N 2.82Å; A136-R140 WeakPolarHBondContact O-CG 3.18Å; A136-R140 PolarHBondContact O-N 3.15Å |
| 137 | V | 56 | Low | 56.6 | Low | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.2 | -52.5 | 172.3 | 167.1 | 0 | 0 | 0 | 0 | 109.1 | R133 H134 R139 R140 D141 | R133-V137 WeakPolarHBondContact O-CB 3.44Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.3Å; R133-V137 PolarHBondContact O-N 2.82Å; H134-V137 PolarHBondContact O-N 3.07Å; V137-R139 PolarHBondContact O-N 2.95Å; V137-R140 CarbonylContact O-C 3.5Å; V137-R140 WeakPolarHBondContact O-CA 3.49Å; V137-R140 WeakPolarHBondContact O-CB 3.4Å; V137-R140 PolarHBondContact O-N 3.05Å; V137-D141 WeakPolarHBondContact CG1-OD2 3.45Å; V137-D141 VanDerWaalsContact O-CG 3.3Å; V137-D141 PolarHBondContact O-N 3.2Å |
| 138 | H | 54.8 | Low | 56.9 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -53.6 | -40.9 | 174.4 | -171.8 | 77.9 | 0 | 0 | 0 | 112 | H134 R140 D141 L142 | H134-H138 VanDerWaalsContact O-CB 3.25Å; H134-H138 WeakPolarHBondContact O-CB 3.36Å; H134-H138 PolarHBondContact O-N 2.89Å; H138-R140 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 3.34Å; H138-D141 PolarHBondContact O-N 3.48Å; H138-L142 WeakPolarHBondContact O-CB 3.18Å; H138-L142 PolarHBondContact O-N 2.89Å |
| 139 | R | 56.2 | Low | 57.1 | Low | 152 Ų | 152 | 105.6 Ų | 105.6 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -25.7 | 173.7 | -178.7 | 175.6 | 176.8 | -178.2 | 0.3 | 114.3 | H135 V137 Q143 | H135-R139 WeakPolarHBondContact O-CB 3.42Å; H135-R139 PolarHBondContact O-N 3.21Å; V137-R139 PolarHBondContact O-N 2.95Å; R139-Q143 WeakPolarHBondContact O-CG 3.09Å |
| 140 | R | 51.8 | Low | 57.1 | Low | 166 Ų | 166 | 108.9 Ų | 108.9 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -82.1 | -39.7 | 173 | -80.9 | 173.1 | 175.7 | 156.5 | -1.2 | 111.9 | A136 V137 H138 L142 Q143 T144 | A136-R140 WeakPolarHBondContact O-CG 3.18Å; A136-R140 PolarHBondContact O-N 3.15Å; V137-R140 CarbonylContact O-C 3.5Å; V137-R140 WeakPolarHBondContact O-CA 3.49Å; V137-R140 WeakPolarHBondContact O-CB 3.4Å; V137-R140 PolarHBondContact O-N 3.05Å; H138-R140 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 3.34Å; R140-L142 PolarHBondContact O-N 3.4Å; R140-Q143 CarbonylContact O-C 3.59Å; R140-Q143 WeakPolarHBondContact O-CA 3.3Å; R140-Q143 WeakPolarHBondContact O-CB 3.32Å; R140-Q143 PolarHBondContact O-N 2.86Å; R140-T144 PolarHBondContact O-N 3.33Å; R140-T144 PolarHBondContact O-OG1 3.47Å; R140-T144 VanDerWaalsContact O-OG1 3.13Å |
| 141 | D | 52.7 | Low | 57.5 | Low | 75 Ų | 75 | 107.3 Ų | 107.3 | 40% | 0.401 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 173.9 | -58.4 | -33.6 | 0 | 0 | 0 | 110 | V137 H138 Q143 T144 V145 | V137-D141 WeakPolarHBondContact CG1-OD2 3.45Å; V137-D141 VanDerWaalsContact O-CG 3.3Å; V137-D141 PolarHBondContact O-N 3.2Å; H138-D141 PolarHBondContact O-N 3.48Å; D141-Q143 PolarHBondContact O-N 3.38Å; D141-T144 WeakPolarHBondContact CA-OG1 3.34Å; D141-T144 PolarHBondContact O-N 2.82Å; D141-T144 VanDerWaalsContact O-N 3.17Å; D141-V145 WeakPolarHBondContact O-CB 3.3Å; D141-V145 VanDerWaalsContact O-CG2 3.24Å; D141-V145 WeakPolarHBondContact O-CG2 3.47Å; D141-V145 PolarHBondContact O-N 3.24Å |
| 142 | L | 54.3 | Low | 57.6 | Low | 31 Ų | 31 | 102.3 Ų | 102.3 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -61.8 | -8.7 | 169.6 | -126.3 | 143.3 | 0 | 0 | 0 | 115.2 | M49 K52 L56 H138 R140 | M49-L142 HydrophobicContact CB-CD2 4.39Å; M49-L142 HydrophobicContact CG-CD2 3.95Å; K52-L142 HydrophobicContact CB-CD1 3.97Å; K52-L142 HydrophobicContact CB-CD2 3.81Å; K52-L142 HydrophobicContact CB-CG 4.46Å; K52-L142 HydrophobicContact CD-CD1 4.18Å; K52-L142 HydrophobicContact CD-CD2 3.86Å; K52-L142 HydrophobicContact CD-CG 4.17Å; K52-L142 HydrophobicContact CG-CD2 4.45Å; L56-L142 HydrophobicContact CD1-CD1 4.32Å; H138-L142 WeakPolarHBondContact O-CB 3.18Å; H138-L142 PolarHBondContact O-N 2.89Å; R140-L142 PolarHBondContact O-N 3.4Å |
| 143 | Q | 53.1 | Low | 57.9 | Low | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -113.7 | -19.7 | 174.5 | -62.9 | -172.6 | -60.6 | 0 | 0 | 113.3 | M49 R139 R140 D141 | M49-Q143 HydrophobicContact CE-CG 3.91Å; M49-Q143 HydrophobicContact SD-CG 4.04Å; R139-Q143 WeakPolarHBondContact O-CG 3.09Å; R140-Q143 CarbonylContact O-C 3.59Å; R140-Q143 WeakPolarHBondContact O-CA 3.3Å; R140-Q143 WeakPolarHBondContact O-CB 3.32Å; R140-Q143 PolarHBondContact O-N 2.86Å; D141-Q143 PolarHBondContact O-N 3.38Å |
| 144 | T | 47.4 | Very low | 58.7 | Low | 91 Ų | 91 | 98.9 Ų | 98.9 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -106.4 | -23.1 | -177.3 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | R140 D141 N146 | R140-T144 PolarHBondContact O-N 3.33Å; R140-T144 PolarHBondContact O-OG1 3.47Å; R140-T144 VanDerWaalsContact O-OG1 3.13Å; D141-T144 WeakPolarHBondContact CA-OG1 3.34Å; D141-T144 PolarHBondContact O-N 2.82Å; D141-T144 VanDerWaalsContact O-N 3.17Å; T144-N146 PolarHBondContact O-N 2.96Å; T144-N146 PolarHBondContact O-ND2 3.46Å; T144-N146 VanDerWaalsContact O-ND2 3.1Å |
| 145 | V | 52.8 | Low | 59.5 | Low | 78 Ų | 78 | 95.3 Ų | 95.3 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | trans | -63.6 | 107.1 | 167.3 | 175.6 | 0 | 0 | 0 | 0 | 107.8 | D141 L147 | D141-V145 WeakPolarHBondContact O-CB 3.3Å; D141-V145 VanDerWaalsContact O-CG2 3.24Å; D141-V145 WeakPolarHBondContact O-CG2 3.47Å; D141-V145 PolarHBondContact O-N 3.24Å; V145-L147 HydrophobicContact CB-CD1 4.4Å; V145-L147 HydrophobicContact CG1-CD1 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.36Å; V145-L147 PolarHBondContact O-N 3.37Å | ||
| 146 | N | 51.3 | Low | 60.3 | Low | 153 Ų | 153 | 92.1 Ų | 92.1 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | trans | -72.6 | 78.8 | 168.6 | -78.7 | -107.7 | 0 | 0 | 0 | 107.6 | T144 T148 | T144-N146 PolarHBondContact O-N 2.96Å; T144-N146 PolarHBondContact O-ND2 3.46Å; T144-N146 VanDerWaalsContact O-ND2 3.1Å; N146-T148 PolarHBondContact O-N 2.91Å | ||
| 147 | L | 57.8 | Low | 61.3 | Low | 35 Ų | 35 | 97.5 Ų | 97.5 | 18% | 0.183 | 48% | 0.476 | C | S | . | . | trans | -48.8 | 127.7 | 176.2 | -94.8 | 91.5 | 0 | 0 | 0 | 108.7 | V145 E151 A152 E155 | V145-L147 HydrophobicContact CB-CD1 4.4Å; V145-L147 HydrophobicContact CG1-CD1 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.36Å; V145-L147 PolarHBondContact O-N 3.37Å; L147-E151 HydrophobicContact CD2-CG 4.17Å; L147-E151 HydrophobicContact CG-CG 4.4Å; L147-A152 HydrophobicContact CB-CB 4.22Å; L147-A152 HydrophobicContact CD2-CB 4.19Å; L147-E155 WeakPolarHBondContact CD2-OE2 3.44Å | ||
| 148 | T | 62.6 | Low | 62.6 | Low | 79 Ų | 79 | 97.7 Ų | 97.7 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | trans | -64 | 148.7 | 179.6 | 67.3 | 0 | 0 | 0 | 0 | 109.2 | N146 Q150 E151 A152 | N146-T148 PolarHBondContact O-N 2.91Å; T148-Q150 PolarHBondContact O-N 2.91Å; T148-E151 PolarHBondContact N-OE2 2.78Å; T148-E151 WeakPolarHBondContact O-CB 3.28Å; T148-E151 PolarHBondContact O-N 3.09Å; T148-E151 WeakPolarHBondContact OG1-CB 3.42Å; T148-E151 PolarHBondContact OG1-N 2.88Å; T148-E151 PolarHBondContact OG1-OE2 3.22Å; T148-A152 PolarHBondContact O-N 2.96Å | ||
| 149 | K | 61.8 | Low | 63.8 | Low | 174 Ų | 174 | 93.9 Ų | 93.9 | 76% | 0.757 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.7 | -176.5 | -173.6 | 174.3 | 178.1 | 179.7 | 0 | 113.4 | M153 | K149-M153 WeakPolarHBondContact O-CB 3.45Š|
| 150 | Q | 62.8 | Low | 65 | Low | 156 Ų | 156 | 92.3 Ų | 92.3 | 73% | 0.729 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -42.6 | 174.3 | -67.8 | 172.8 | -95 | 0 | 0 | 111.9 | T148 M153 L154 | T148-Q150 PolarHBondContact O-N 2.91Å; Q150-M153 CarbonylContact O-C 3.52Å; Q150-M153 WeakPolarHBondContact O-CA 3.45Å; Q150-M153 WeakPolarHBondContact O-CB 3.43Å; Q150-M153 PolarHBondContact O-N 2.71Å; Q150-M153 VanDerWaalsContact O-N 3.12Å; Q150-L154 WeakPolarHBondContact O-CG 3.36Å; Q150-L154 PolarHBondContact O-N 2.87Å |
| 151 | E | 68.2 | Low | 66.8 | Low | 85 Ų | 85 | 89.4 Ų | 89.4 | 40% | 0.397 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 178.1 | -176.4 | 175.7 | -149 | 0 | 0 | 112.2 | L147 T148 M153 L154 E155 | L147-E151 HydrophobicContact CD2-CG 4.17Å; L147-E151 HydrophobicContact CG-CG 4.4Å; T148-E151 PolarHBondContact N-OE2 2.78Å; T148-E151 WeakPolarHBondContact O-CB 3.28Å; T148-E151 PolarHBondContact O-N 3.09Å; T148-E151 WeakPolarHBondContact OG1-CB 3.42Å; T148-E151 PolarHBondContact OG1-N 2.88Å; T148-E151 PolarHBondContact OG1-OE2 3.22Å; E151-M153 PolarHBondContact O-N 3.19Å; E151-L154 WeakPolarHBondContact O-CB 3.22Å; E151-L154 PolarHBondContact O-N 2.94Å; E151-E155 PolarHBondContact O-N 3.17Å |
| 152 | A | 67 | Low | 68.4 | Low | 16 Ų | 16 | 89.9 Ų | 89.9 | 13% | 0.132 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.4 | -30.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L147 T148 I156 | L147-A152 HydrophobicContact CB-CB 4.22Å; L147-A152 HydrophobicContact CD2-CB 4.19Å; T148-A152 PolarHBondContact O-N 2.96Å; A152-I156 WeakPolarHBondContact O-CB 2.91Å; A152-I156 VanDerWaalsContact O-CD1 3.31Å; A152-I156 WeakPolarHBondContact O-CD1 3.47Å; A152-I156 WeakPolarHBondContact O-CG1 3.32Å; A152-I156 PolarHBondContact O-N 2.85Å |
| 153 | M | 68.2 | Low | 69.8 | Low | 114 Ų | 114 | 93 Ų | 93 | 56% | 0.562 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76.6 | -28.4 | 176.5 | -166.5 | -177.8 | -55.3 | 0 | 0 | 112.5 | K149 Q150 E151 K157 | K149-M153 WeakPolarHBondContact O-CB 3.45Å; Q150-M153 CarbonylContact O-C 3.52Å; Q150-M153 WeakPolarHBondContact O-CA 3.45Å; Q150-M153 WeakPolarHBondContact O-CB 3.43Å; Q150-M153 PolarHBondContact O-N 2.71Å; Q150-M153 VanDerWaalsContact O-N 3.12Å; E151-M153 PolarHBondContact O-N 3.19Å; M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å |
| 154 | L | 77.2 | Confident | 71.5 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 61% | 0.613 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -72.1 | -47.3 | 172.2 | -70.6 | 172.5 | 0 | 0 | 0 | 111.2 | Q150 E151 I156 K157 D158 | Q150-L154 WeakPolarHBondContact O-CG 3.36Å; Q150-L154 PolarHBondContact O-N 2.87Å; E151-L154 WeakPolarHBondContact O-CB 3.22Å; E151-L154 PolarHBondContact O-N 2.94Å; L154-I156 PolarHBondContact O-N 3.3Å; L154-K157 WeakPolarHBondContact O-CB 3.47Å; L154-K157 PolarHBondContact O-N 3.31Å; L154-K157 VanDerWaalsContact O-N 3.11Å; L154-D158 PolarHBondContact O-N 3.08Å |
| 155 | E | 75.8 | Confident | 73.7 | Confident | 53 Ų | 53 | 92.7 Ų | 92.7 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.4 | -34.4 | 175.7 | -66.8 | -169.7 | 172 | 0 | 0 | 112.1 | V48 K52 L147 E151 L159 | V48-E155 VanDerWaalsContact CG1-OE2 3.25Å; V48-E155 WeakPolarHBondContact CG1-OE2 3.33Å; K52-E155 WeakPolarHBondContact CE-OE1 3.36Å; K52-E155 WeakPolarHBondContact CE-OE2 3.06Å; K52-E155 IonicContact NZ-OE1 3.63Å; K52-E155 PolarHBondContact NZ-OE1 2.92Å; K52-E155 IonicContact NZ-OE2 3.44Å; K52-E155 PolarHBondContact NZ-OE2 2.83Å; L147-E155 WeakPolarHBondContact CD2-OE2 3.44Å; E151-E155 PolarHBondContact O-N 3.17Å; E155-L159 VanDerWaalsContact O-CB 3.26Å; E155-L159 WeakPolarHBondContact O-CB 3.42Å; E155-L159 PolarHBondContact O-N 2.84Å |
| 156 | I | 75.4 | Confident | 75.1 | Confident | 30 Ų | 30 | 95.5 Ų | 95.5 | 15% | 0.154 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -77.2 | -32.8 | 177 | -69.4 | 170.9 | 0 | 0 | 0 | 112.3 | L44 M47 V48 A152 L154 D158 L160 | L44-I156 HydrophobicContact CD1-CD1 3.38Å; L44-I156 HydrophobicContact CD2-CD1 4.06Å; L44-I156 HydrophobicContact CG-CD1 3.34Å; M47-I156 HydrophobicContact CE-CB 4.43Å; M47-I156 HydrophobicContact CE-CD1 3.68Å; M47-I156 HydrophobicContact CE-CG1 3.71Å; M47-I156 HydrophobicContact CE-CG2 3.9Å; V48-I156 HydrophobicContact CG2-CD1 3.66Å; V48-I156 HydrophobicContact CG2-CG1 3.53Å; A152-I156 WeakPolarHBondContact O-CB 2.91Å; A152-I156 VanDerWaalsContact O-CD1 3.31Å; A152-I156 WeakPolarHBondContact O-CD1 3.47Å; A152-I156 WeakPolarHBondContact O-CG1 3.32Å; A152-I156 PolarHBondContact O-N 2.85Å; L154-I156 PolarHBondContact O-N 3.3Å; I156-D158 VanDerWaalsContact C-N 3.31Å; I156-L160 WeakPolarHBondContact O-CB 3.48Å; I156-L160 PolarHBondContact O-N 3.38Å |
| 157 | K | 80.5 | Confident | 76.9 | Confident | 156 Ų | 156 | 93.4 Ų | 93.4 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 170.6 | -176.3 | -171.6 | 173.5 | -167.7 | 0 | 110.5 | M153 L154 K161 | M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å; L154-K157 WeakPolarHBondContact O-CB 3.47Å; L154-K157 PolarHBondContact O-N 3.31Å; L154-K157 VanDerWaalsContact O-N 3.11Å; K157-K161 WeakPolarHBondContact O-CB 3.45Å; K157-K161 PolarHBondContact O-N 2.93Å |
| 158 | D | 82.7 | Confident | 78.5 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 40% | 0.401 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 179 | -170.1 | 72.6 | 0 | 0 | 0 | 112.6 | L154 I156 L160 K161 H162 | L154-D158 PolarHBondContact O-N 3.08Å; I156-D158 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 2.78Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.39Å; D158-H162 PolarHBondContact O-N 3.44Å; D158-H162 PolarHBondContact O-ND1 2.79Å; D158-H162 IonicContact OD1-CE1 3.84Å; D158-H162 IonicContact OD1-ND1 3.44Å; D158-H162 IonicContact OD2-CE1 2.68Å; D158-H162 PolarHBondContact OD2-CE1 3.48Å; D158-H162 IonicContact OD2-ND1 3.18Å; D158-H162 PolarHBondContact OD2-ND1 2.84Å |
| 159 | L | 80.3 | Confident | 79.9 | Confident | 16 Ų | 16 | 93.9 Ų | 93.9 | 8% | 0.084 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 170 | 172.7 | 58.4 | 0 | 0 | 0 | 111.8 | M47 Y51 E155 K161 H162 L163 | M47-L159 HydrophobicContact CE-CD2 4.32Å; Y51-L159 HydrophobicContact CD1-CD1 4.17Å; Y51-L159 HydrophobicContact CD1-CD2 4.23Å; Y51-L159 HydrophobicContact CD2-CD1 3.48Å; Y51-L159 VanDerWaalsContact CD2-CD1 3.48Å; Y51-L159 HydrophobicContact CD2-CD2 4.48Å; Y51-L159 HydrophobicContact CE1-CD1 4.27Å; Y51-L159 HydrophobicContact CE2-CD1 3.61Å; Y51-L159 HydrophobicContact CG-CD1 3.78Å; Y51-L159 HydrophobicContact CG-CD2 3.97Å; Y51-L159 HydrophobicContact CG-CG 4.41Å; E155-L159 VanDerWaalsContact O-CB 3.26Å; E155-L159 WeakPolarHBondContact O-CB 3.42Å; E155-L159 PolarHBondContact O-N 2.84Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.17Å; L159-H162 PolarHBondContact O-N 2.83Å; L159-L163 HydrophobicContact CD1-CD1 3.84Å; L159-L163 HydrophobicContact CD1-CG 4.06Å; L159-L163 HydrophobicContact CG-CD1 3.97Å; L159-L163 WeakPolarHBondContact O-CB 3.26Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.32Å; L159-L163 PolarHBondContact O-N 3.41Å |
| 160 | L | 82 | Confident | 81.3 | Confident | 119 Ų | 119 | 88 Ų | 88 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -36.7 | 178.9 | -175.3 | 63.2 | 0 | 0 | 0 | 111.5 | I156 D158 L163 D164 | I156-L160 WeakPolarHBondContact O-CB 3.48Å; I156-L160 PolarHBondContact O-N 3.38Å; D158-L160 PolarHBondContact O-N 2.78Å; L160-L163 PolarHBondContact O-N 3.36Å; L160-D164 WeakPolarHBondContact O-CB 3.28Å; L160-D164 PolarHBondContact O-N 2.96Å |
| 161 | K | 89.3 | Confident | 82.7 | Confident | 104 Ų | 104 | 84 Ų | 84 | 45% | 0.452 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 173.1 | -175 | -169.4 | 173.1 | -83.9 | 0 | 111.4 | K157 D158 L159 L163 D164 E165 | K157-K161 WeakPolarHBondContact O-CB 3.45Å; K157-K161 PolarHBondContact O-N 2.93Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.39Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.17Å; K161-L163 VanDerWaalsContact C-N 3.28Å; K161-L163 PolarHBondContact O-N 3.39Å; K161-D164 PolarHBondContact O-N 2.68Å; K161-D164 VanDerWaalsContact O-N 3.17Å; K161-E165 VanDerWaalsContact CE-OE1 3.27Å; K161-E165 WeakPolarHBondContact CE-OE1 3.42Å; K161-E165 IonicContact NZ-OE1 3.04Å; K161-E165 PolarHBondContact NZ-OE1 3.22Å; K161-E165 IonicContact NZ-OE2 2.77Å; K161-E165 PolarHBondContact NZ-OE2 2.91Å; K161-E165 WeakPolarHBondContact O-CG 3.44Å; K161-E165 PolarHBondContact O-N 2.8Å |
| 162 | H | 85.2 | Confident | 83.8 | Confident | 85 Ų | 85 | 85.7 Ų | 85.7 | 39% | 0.394 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 177.1 | -77.9 | 97.3 | 0 | 0 | 0 | 112.2 | D158 L159 M166 | D158-H162 PolarHBondContact O-N 3.44Å; D158-H162 PolarHBondContact O-ND1 2.79Å; D158-H162 IonicContact OD1-CE1 3.84Å; D158-H162 IonicContact OD1-ND1 3.44Å; D158-H162 IonicContact OD2-CE1 2.68Å; D158-H162 PolarHBondContact OD2-CE1 3.48Å; D158-H162 IonicContact OD2-ND1 3.18Å; D158-H162 PolarHBondContact OD2-ND1 2.84Å; L159-H162 PolarHBondContact O-N 2.83Å; H162-M166 VanDerWaalsContact O-CB 3.28Å; H162-M166 WeakPolarHBondContact O-CB 3.21Å; H162-M166 WeakPolarHBondContact O-CG 3.27Å; H162-M166 PolarHBondContact O-N 2.65Å |
| 163 | L | 84.8 | Confident | 84.8 | Confident | 98 Ų | 98 | 87.9 Ų | 87.9 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 175.2 | -72.7 | 170.7 | 0 | 0 | 0 | 112.7 | L159 L160 K161 L167 | L159-L163 HydrophobicContact CD1-CD1 3.84Å; L159-L163 HydrophobicContact CD1-CG 4.06Å; L159-L163 HydrophobicContact CG-CD1 3.97Å; L159-L163 WeakPolarHBondContact O-CB 3.26Å; L159-L163 VanDerWaalsContact O-CG 3.28Å; L159-L163 WeakPolarHBondContact O-CG 3.32Å; L159-L163 PolarHBondContact O-N 3.41Å; L160-L163 PolarHBondContact O-N 3.36Å; K161-L163 VanDerWaalsContact C-N 3.28Å; K161-L163 PolarHBondContact O-N 3.39Å; L163-L167 WeakPolarHBondContact O-CB 3.3Å; L163-L167 PolarHBondContact O-N 3.48Å |
| 164 | D | 88.9 | Confident | 85.8 | Confident | 109 Ų | 109 | 85.1 Ų | 85.1 | 58% | 0.583 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.4 | -43.1 | 175.9 | -168.7 | 64.9 | 0 | 0 | 0 | 111.6 | L160 K161 L167 S168 | L160-D164 WeakPolarHBondContact O-CB 3.28Å; L160-D164 PolarHBondContact O-N 2.96Å; K161-D164 PolarHBondContact O-N 2.68Å; K161-D164 VanDerWaalsContact O-N 3.17Å; D164-L167 PolarHBondContact O-N 2.89Å; D164-S168 WeakPolarHBondContact O-CB 3.18Å; D164-S168 PolarHBondContact O-N 3.36Å |
| 165 | E | 92.8 | Very high | 86.4 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 174.8 | -72.1 | 175.6 | 153.4 | 0 | 0 | 111.5 | K161 S169 | K161-E165 VanDerWaalsContact CE-OE1 3.27Å; K161-E165 WeakPolarHBondContact CE-OE1 3.42Å; K161-E165 IonicContact NZ-OE1 3.04Å; K161-E165 PolarHBondContact NZ-OE1 3.22Å; K161-E165 IonicContact NZ-OE2 2.77Å; K161-E165 PolarHBondContact NZ-OE2 2.91Å; K161-E165 WeakPolarHBondContact O-CG 3.44Å; K161-E165 PolarHBondContact O-N 2.8Å; E165-S169 WeakPolarHBondContact O-CB 3.28Å; E165-S169 PolarHBondContact O-N 3.25Å |
| 166 | M | 83.4 | Confident | 87 | Confident | 137 Ų | 137 | 84.6 Ų | 84.6 | 68% | 0.675 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 174.2 | -75.8 | -67 | -62.3 | 0 | 0 | 112.6 | H162 A170 | H162-M166 VanDerWaalsContact O-CB 3.28Å; H162-M166 WeakPolarHBondContact O-CB 3.21Å; H162-M166 WeakPolarHBondContact O-CG 3.27Å; H162-M166 PolarHBondContact O-N 2.65Å; M166-A170 VanDerWaalsContact O-CB 3.29Å; M166-A170 WeakPolarHBondContact O-CB 3.4Å; M166-A170 PolarHBondContact O-N 2.74Å |
| 167 | L | 87.5 | Confident | 87.5 | Confident | 110 Ų | 110 | 88 Ų | 88 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.4 | -40.7 | 178.5 | -176.6 | 63.5 | 0 | 0 | 0 | 111.4 | L163 D164 A170 C171 | L163-L167 WeakPolarHBondContact O-CB 3.3Å; L163-L167 PolarHBondContact O-N 3.48Å; D164-L167 PolarHBondContact O-N 2.89Å; L167-A170 PolarHBondContact O-N 2.87Å; L167-C171 WeakPolarHBondContact O-CB 3.33Å; L167-C171 PolarHBondContact O-N 3.17Å; L167-C171 PolarHBondContact O-SG 2.91Å; L167-C171 VanDerWaalsContact O-SG 3.36Å |
| 168 | S | 92.6 | Very high | 87.9 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | D164 C171 Q172 | D164-S168 WeakPolarHBondContact O-CB 3.18Å; D164-S168 PolarHBondContact O-N 3.36Å; S168-C171 PolarHBondContact O-N 3.27Å; S168-Q172 WeakPolarHBondContact O-CB 3.36Å; S168-Q172 VanDerWaalsContact O-CG 3.26Å; S168-Q172 WeakPolarHBondContact O-CG 3.17Å; S168-Q172 PolarHBondContact O-N 2.88Å; S168-Q172 PolarHBondContact O-NE2 3.03Å; S168-Q172 PolarHBondContact OG-NE2 2.81Å |
| 169 | S | 91.9 | Very high | 88.2 | Confident | 70 Ų | 70 | 87.4 Ų | 87.4 | 49% | 0.49 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | E165 Q172 S173 | E165-S169 WeakPolarHBondContact O-CB 3.28Å; E165-S169 PolarHBondContact O-N 3.25Å; S169-Q172 PolarHBondContact O-N 2.99Å; S169-S173 WeakPolarHBondContact O-CB 3.34Å; S169-S173 PolarHBondContact O-N 3.22Å; S169-S173 PolarHBondContact O-OG 2.77Å; S169-S173 VanDerWaalsContact O-OG 3.1Å |
| 170 | A | 90.6 | Very high | 88.6 | Confident | 50 Ų | 50 | 88 Ų | 88 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M166 L167 S173 A174 | M166-A170 VanDerWaalsContact O-CB 3.29Å; M166-A170 WeakPolarHBondContact O-CB 3.4Å; M166-A170 PolarHBondContact O-N 2.74Å; L167-A170 PolarHBondContact O-N 2.87Å; A170-S173 WeakPolarHBondContact CA-OG 3.23Å; A170-S173 PolarHBondContact O-N 3.4Å; A170-S173 PolarHBondContact O-OG 3.21Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.46Å; A170-A174 PolarHBondContact O-N 3.22Å |
| 171 | C | 91.5 | Very high | 88.8 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.6 | -74.7 | 0 | 0 | 0 | 0 | 112.5 | L167 S168 A174 E175 | L167-C171 WeakPolarHBondContact O-CB 3.33Å; L167-C171 PolarHBondContact O-N 3.17Å; L167-C171 PolarHBondContact O-SG 2.91Å; L167-C171 VanDerWaalsContact O-SG 3.36Å; S168-C171 PolarHBondContact O-N 3.27Å; C171-A174 PolarHBondContact O-N 2.92Å; C171-E175 WeakPolarHBondContact O-CB 3.45Å; C171-E175 PolarHBondContact O-N 3.45Å |
| 172 | Q | 92 | Very high | 88.7 | Confident | 120 Ų | 120 | 90.5 Ų | 90.5 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 176.8 | -70.9 | 168.8 | 43.7 | 0 | 0 | 112 | S168 S169 E175 A176 | S168-Q172 WeakPolarHBondContact O-CB 3.36Å; S168-Q172 VanDerWaalsContact O-CG 3.26Å; S168-Q172 WeakPolarHBondContact O-CG 3.17Å; S168-Q172 PolarHBondContact O-N 2.88Å; S168-Q172 PolarHBondContact O-NE2 3.03Å; S168-Q172 PolarHBondContact OG-NE2 2.81Å; S169-Q172 PolarHBondContact O-N 2.99Å; Q172-E175 PolarHBondContact O-N 2.81Å; Q172-A176 PolarHBondContact O-N 3.07Å |
| 173 | S | 88.4 | Confident | 88.8 | Confident | 61 Ų | 61 | 92.1 Ų | 92.1 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | S169 A170 A176 I177 | S169-S173 WeakPolarHBondContact O-CB 3.34Å; S169-S173 PolarHBondContact O-N 3.22Å; S169-S173 PolarHBondContact O-OG 2.77Å; S169-S173 VanDerWaalsContact O-OG 3.1Å; A170-S173 WeakPolarHBondContact CA-OG 3.23Å; A170-S173 PolarHBondContact O-N 3.4Å; A170-S173 PolarHBondContact O-OG 3.21Å; S173-A176 PolarHBondContact O-N 3.31Å; S173-I177 WeakPolarHBondContact O-CB 3.34Å; S173-I177 WeakPolarHBondContact O-CD1 3.3Å; S173-I177 VanDerWaalsContact O-CG1 3.23Å; S173-I177 WeakPolarHBondContact O-CG1 3.35Å; S173-I177 PolarHBondContact O-N 3.05Å |
| 174 | A | 89.4 | Confident | 88.8 | Confident | 57 Ų | 57 | 92.7 Ų | 92.7 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A170 C171 I177 Y178 | A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.46Å; A170-A174 PolarHBondContact O-N 3.22Å; C171-A174 PolarHBondContact O-N 2.92Å; A174-I177 PolarHBondContact O-N 3.27Å; A174-Y178 VanDerWaalsContact O-CB 3.3Å; A174-Y178 WeakPolarHBondContact O-CB 3.46Å; A174-Y178 PolarHBondContact O-N 3.37Å |
| 175 | E | 90.4 | Very high | 88.4 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 173.6 | -170.5 | -172.1 | 147 | 0 | 0 | 111.4 | C171 Q172 I177 Y178 K179 | C171-E175 WeakPolarHBondContact O-CB 3.45Å; C171-E175 PolarHBondContact O-N 3.45Å; Q172-E175 PolarHBondContact O-N 2.81Å; E175-I177 PolarHBondContact O-N 2.99Å; E175-Y178 WeakPolarHBondContact O-CB 3.47Å; E175-Y178 PolarHBondContact O-N 2.77Å; E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 3.37Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.43Å; E175-K179 IonicContact OE1-NZ 2.63Å; E175-K179 PolarHBondContact OE1-NZ 3.03Å |
| 176 | A | 87 | Confident | 88.2 | Confident | 55 Ų | 55 | 92.4 Ų | 92.4 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Q172 S173 Y178 K179 V180 | Q172-A176 PolarHBondContact O-N 3.07Å; S173-A176 PolarHBondContact O-N 3.31Å; A176-Y178 VanDerWaalsContact C-N 3.35Å; A176-K179 PolarHBondContact O-N 3.09Å; A176-V180 WeakPolarHBondContact O-CG2 3.44Å; A176-V180 PolarHBondContact O-N 2.9Å; A176-V180 VanDerWaalsContact O-N 3.14Å |
| 177 | I | 86.9 | Confident | 88.4 | Confident | 101 Ų | 101 | 88.1 Ų | 88.1 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 173.7 | -70.8 | 163.8 | 0 | 0 | 0 | 110.7 | S173 A174 E175 V180 L181 | S173-I177 WeakPolarHBondContact O-CB 3.34Å; S173-I177 WeakPolarHBondContact O-CD1 3.3Å; S173-I177 VanDerWaalsContact O-CG1 3.23Å; S173-I177 WeakPolarHBondContact O-CG1 3.35Å; S173-I177 PolarHBondContact O-N 3.05Å; A174-I177 PolarHBondContact O-N 3.27Å; E175-I177 PolarHBondContact O-N 2.99Å; I177-V180 PolarHBondContact O-N 3.2Å; I177-L181 HydrophobicContact CG2-CD1 3.67Å; I177-L181 HydrophobicContact CG2-CG 4.16Å; I177-L181 WeakPolarHBondContact O-CB 3.48Å; I177-L181 VanDerWaalsContact O-CG 3.27Å; I177-L181 WeakPolarHBondContact O-CG 3.47Å; I177-L181 PolarHBondContact O-N 3.01Å |
| 178 | Y | 88.6 | Confident | 88.3 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 55% | 0.553 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 177.7 | -176.6 | -89.6 | 0 | 0 | 0 | 112.1 | A174 E175 A176 V180 L181 Y182 | A174-Y178 VanDerWaalsContact O-CB 3.3Å; A174-Y178 WeakPolarHBondContact O-CB 3.46Å; A174-Y178 PolarHBondContact O-N 3.37Å; E175-Y178 WeakPolarHBondContact O-CB 3.47Å; E175-Y178 PolarHBondContact O-N 2.77Å; A176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-V180 VanDerWaalsContact C-N 3.32Å; Y178-V180 PolarHBondContact O-N 3.07Å; Y178-L181 PolarHBondContact O-N 3.41Å; Y178-Y182 HydrophobicContact CE1-CG 4.4Å; Y178-Y182 WeakPolarHBondContact O-CB 3.38Å; Y178-Y182 PolarHBondContact O-N 3.27Å |
| 179 | K | 88.6 | Confident | 88.2 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 34% | 0.339 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 177.2 | -71.6 | 179.2 | -178.5 | 168.1 | 0 | 112.5 | E175 A176 W183 D184 | E175-K179 WeakPolarHBondContact O-CG 3.43Å; E175-K179 PolarHBondContact O-N 3.37Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.43Å; E175-K179 IonicContact OE1-NZ 2.63Å; E175-K179 PolarHBondContact OE1-NZ 3.03Å; A176-K179 PolarHBondContact O-N 3.09Å; K179-W183 PolarHBondContact O-N 3.42Å; K179-W183 VanDerWaalsContact O-N 3.09Å; K179-D184 HydrophobicContact CB-CB 4.04Å; K179-D184 HydrophobicContact CG-CB 4.08Å; K179-D184 WeakPolarHBondContact CG-OD2 3.28Å; K179-D184 PolarHBondContact O-N 2.77Å |
| 180 | V | 89.3 | Confident | 88.1 | Confident | 28 Ų | 28 | 82.9 Ų | 82.9 | 17% | 0.17 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | A176 I177 Y178 Y182 W183 S189 F192 Y193 | A176-V180 WeakPolarHBondContact O-CG2 3.44Å; A176-V180 PolarHBondContact O-N 2.9Å; A176-V180 VanDerWaalsContact O-N 3.14Å; I177-V180 PolarHBondContact O-N 3.2Å; Y178-V180 VanDerWaalsContact C-N 3.32Å; Y178-V180 PolarHBondContact O-N 3.07Å; V180-Y182 PolarHBondContact O-N 2.99Å; V180-W183 PolarHBondContact O-N 2.77Å; V180-S189 WeakPolarHBondContact CA-OG 3.41Å; V180-S189 PolarHBondContact O-OG 2.93Å; V180-F192 HydrophobicContact CG1-CB 4.07Å; V180-F192 HydrophobicContact CG1-CD1 3.5Å; V180-F192 VanDerWaalsContact CG1-CD1 3.5Å; V180-F192 HydrophobicContact CG1-CE1 4.1Å; V180-F192 HydrophobicContact CG1-CG 3.84Å; V180-Y193 HydrophobicContact CG1-CE2 4.27Å |
| 181 | L | 86.2 | Confident | 88.1 | Confident | 111 Ų | 111 | 89.3 Ų | 89.3 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66 | -36 | 179.3 | -74.7 | 173.5 | 0 | 0 | 0 | 113 | I177 Y178 | I177-L181 HydrophobicContact CG2-CD1 3.67Å; I177-L181 HydrophobicContact CG2-CG 4.16Å; I177-L181 WeakPolarHBondContact O-CB 3.48Å; I177-L181 VanDerWaalsContact O-CG 3.27Å; I177-L181 WeakPolarHBondContact O-CG 3.47Å; I177-L181 PolarHBondContact O-N 3.01Å; Y178-L181 PolarHBondContact O-N 3.41Å |
| 182 | Y | 86.9 | Confident | 88 | Confident | 166 Ų | 166 | 91 Ų | 91 | 65% | 0.651 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.4 | -178.4 | -154.9 | -99.6 | 0 | 0 | 0 | 113.5 | Y178 V180 D184 | Y178-Y182 HydrophobicContact CE1-CG 4.4Å; Y178-Y182 WeakPolarHBondContact O-CB 3.38Å; Y178-Y182 PolarHBondContact O-N 3.27Å; V180-Y182 PolarHBondContact O-N 2.99Å; Y182-D184 PolarHBondContact O-N 3.37Å |
| 183 | W | 87.2 | Confident | 87.9 | Confident | 119 Ų | 119 | 88.9 Ų | 88.9 | 45% | 0.451 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 28.6 | -179.8 | -66.9 | 48.5 | 0 | 0 | 0 | 114.1 | K179 V180 D185 H186 Y193 | K179-W183 PolarHBondContact O-N 3.42Å; K179-W183 VanDerWaalsContact O-N 3.09Å; V180-W183 PolarHBondContact O-N 2.77Å; W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 3.4Å; W183-H186 AromaticContact CE3-ND1 3.77Å; W183-Y193 AromaticContact CD1-CE2 3.98Å; W183-Y193 AromaticContact CE2-CD2 3.84Å; W183-Y193 AromaticContact CE2-CE2 3.79Å; W183-Y193 AromaticContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CE2 4.1Å; W183-Y193 HydrophobicContact CZ2-CG 4.42Å; W183-Y193 AromaticContact NE1-CD2 3.74Å; W183-Y193 AromaticContact NE1-CE2 3.19Å; W183-Y193 AromaticContact NE1-CZ 3.95Å |
| 184 | D | 85.1 | Confident | 88.1 | Confident | 109 Ų | 109 | 87.3 Ų | 87.3 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -60.6 | -35.2 | -179 | -167.4 | 51.9 | 0 | 0 | 0 | 111.9 | K179 Y182 | K179-D184 HydrophobicContact CB-CB 4.04Å; K179-D184 HydrophobicContact CG-CB 4.08Å; K179-D184 WeakPolarHBondContact CG-OD2 3.28Å; K179-D184 PolarHBondContact O-N 2.77Å; Y182-D184 PolarHBondContact O-N 3.37Å |
| 185 | D | 80.4 | Confident | 88 | Confident | 67 Ų | 67 | 87.2 Ų | 87.2 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -113.9 | 105.9 | 160.2 | 169.7 | 21.1 | 0 | 0 | 0 | 110.1 | W183 A187 T188 S189 | W183-D185 VanDerWaalsContact C-N 3.26Å; W183-D185 PolarHBondContact O-N 3.4Å; D185-A187 PolarHBondContact O-N 3.18Å; D185-A187 WeakPolarHBondContact OD1-CA 3.27Å; D185-A187 WeakPolarHBondContact OD1-CB 3.32Å; D185-A187 PolarHBondContact OD1-N 2.83Å; D185-T188 WeakPolarHBondContact CB-OG1 3.34Å; D185-T188 VanDerWaalsContact CG-OG1 3.24Å; D185-T188 VanDerWaalsContact OD2-CB 3.25Å; D185-T188 WeakPolarHBondContact OD2-CB 3.34Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.27Å; D185-T188 PolarHBondContact OD2-N 3.3Å; D185-T188 VanDerWaalsContact OD2-N 3.13Å; D185-T188 PolarHBondContact OD2-OG1 3.45Å; D185-S189 WeakPolarHBondContact O-CB 3.42Å; D185-S189 PolarHBondContact O-N 3.21Å; D185-S189 PolarHBondContact O-OG 3.46Å |
| 186 | H | 88.5 | Confident | 88 | Confident | 130 Ų | 130 | 85.4 Ų | 85.4 | 60% | 0.602 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.3 | -30.5 | 175.9 | -73.6 | -71 | 0 | 0 | 0 | 113.8 | W183 S190 | W183-H186 AromaticContact CE3-ND1 3.77Å; H186-S190 WeakPolarHBondContact O-CB 3.2Å; H186-S190 PolarHBondContact O-N 3.39Å; H186-S190 PolarHBondContact O-OG 3.24Å |
| 187 | A | 86.4 | Confident | 88.1 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -78.9 | -41.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | D185 S190 R191 | D185-A187 PolarHBondContact O-N 3.18Å; D185-A187 WeakPolarHBondContact OD1-CA 3.27Å; D185-A187 WeakPolarHBondContact OD1-CB 3.32Å; D185-A187 PolarHBondContact OD1-N 2.83Å; A187-S190 PolarHBondContact O-OG 2.9Å; A187-R191 VanDerWaalsContact O-CD 3.26Å; A187-R191 WeakPolarHBondContact O-CD 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.43Å |
| 188 | T | 85.9 | Confident | 88.1 | Confident | 64 Ų | 64 | 88.2 Ų | 88.2 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -74.3 | -40.3 | 171 | 51 | 0 | 0 | 0 | 0 | 112.1 | D185 R191 F192 | D185-T188 WeakPolarHBondContact CB-OG1 3.34Å; D185-T188 VanDerWaalsContact CG-OG1 3.24Å; D185-T188 VanDerWaalsContact OD2-CB 3.25Å; D185-T188 WeakPolarHBondContact OD2-CB 3.34Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.27Å; D185-T188 PolarHBondContact OD2-N 3.3Å; D185-T188 VanDerWaalsContact OD2-N 3.13Å; D185-T188 PolarHBondContact OD2-OG1 3.45Å; T188-R191 PolarHBondContact O-N 3.32Å; T188-F192 PolarHBondContact O-N 2.8Å |
| 189 | S | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | -179.4 | -52.8 | 0 | 0 | 0 | 0 | 112 | V180 D185 R191 F192 Y193 | V180-S189 WeakPolarHBondContact CA-OG 3.41Å; V180-S189 PolarHBondContact O-OG 2.93Å; D185-S189 WeakPolarHBondContact O-CB 3.42Å; D185-S189 PolarHBondContact O-N 3.21Å; D185-S189 PolarHBondContact O-OG 3.46Å; S189-R191 VanDerWaalsContact C-N 3.34Å; S189-R191 PolarHBondContact O-N 2.94Å; S189-F192 PolarHBondContact O-N 3.35Å; S189-Y193 WeakPolarHBondContact O-CD2 3.29Å; S189-Y193 PolarHBondContact O-N 3.14Å |
| 190 | S | 90 | Very high | 87.9 | Confident | 60 Ų | 60 | 84.2 Ų | 84.2 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 178.2 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | H186 A187 G194 | H186-S190 WeakPolarHBondContact O-CB 3.2Å; H186-S190 PolarHBondContact O-N 3.39Å; H186-S190 PolarHBondContact O-OG 3.24Å; A187-S190 PolarHBondContact O-OG 2.9Å; S190-G194 WeakPolarHBondContact O-CA 3.5Å; S190-G194 PolarHBondContact O-N 3.31Å |
| 191 | R | 90.1 | Very high | 87.6 | Confident | 184 Ų | 184 | 86 Ų | 86 | 69% | 0.694 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 172.8 | -73.4 | 171.2 | -176.8 | 161.5 | 1.2 | 112 | A187 T188 S189 A195 | A187-R191 VanDerWaalsContact O-CD 3.26Å; A187-R191 WeakPolarHBondContact O-CD 3.5Å; A187-R191 WeakPolarHBondContact O-CG 3.43Å; T188-R191 PolarHBondContact O-N 3.32Å; S189-R191 VanDerWaalsContact C-N 3.34Å; S189-R191 PolarHBondContact O-N 2.94Å; R191-A195 VanDerWaalsContact O-CB 3.28Å; R191-A195 WeakPolarHBondContact O-CB 3.27Å; R191-A195 PolarHBondContact O-N 3.15Å |
| 192 | F | 89 | Confident | 87.3 | Confident | 109 Ų | 109 | 84.9 Ų | 84.9 | 48% | 0.478 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.7 | -55.1 | 177.5 | 177.4 | -98.6 | 0 | 0 | 0 | 111.5 | V180 T188 S189 G194 A195 V196 | V180-F192 HydrophobicContact CG1-CB 4.07Å; V180-F192 HydrophobicContact CG1-CD1 3.5Å; V180-F192 VanDerWaalsContact CG1-CD1 3.5Å; V180-F192 HydrophobicContact CG1-CE1 4.1Å; V180-F192 HydrophobicContact CG1-CG 3.84Å; T188-F192 PolarHBondContact O-N 2.8Å; S189-F192 PolarHBondContact O-N 3.35Å; F192-G194 VanDerWaalsContact C-N 3.33Å; F192-G194 PolarHBondContact O-N 3.36Å; F192-A195 PolarHBondContact O-N 2.82Å; F192-V196 HydrophobicContact CD1-CG2 4.44Å; F192-V196 HydrophobicContact CE1-CG2 4.09Å; F192-V196 HydrophobicContact CE2-CG2 4.17Å; F192-V196 HydrophobicContact CZ-CG2 3.95Å; F192-V196 WeakPolarHBondContact O-CG2 3.42Å; F192-V196 PolarHBondContact O-N 2.99Å |
| 193 | Y | 91.3 | Very high | 86.8 | Confident | 76 Ų | 76 | 79.9 Ų | 79.9 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 179.6 | -71.8 | -65.8 | 0 | 0 | 0 | 112.8 | V180 W183 S189 L197 | V180-Y193 HydrophobicContact CG1-CE2 4.27Å; W183-Y193 AromaticContact CD1-CE2 3.98Å; W183-Y193 AromaticContact CE2-CD2 3.84Å; W183-Y193 AromaticContact CE2-CE2 3.79Å; W183-Y193 AromaticContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CD2 3.71Å; W183-Y193 HydrophobicContact CZ2-CE2 4.1Å; W183-Y193 HydrophobicContact CZ2-CG 4.42Å; W183-Y193 AromaticContact NE1-CD2 3.74Å; W183-Y193 AromaticContact NE1-CE2 3.19Å; W183-Y193 AromaticContact NE1-CZ 3.95Å; S189-Y193 WeakPolarHBondContact O-CD2 3.29Å; S189-Y193 PolarHBondContact O-N 3.14Å; Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.32Å; Y193-L197 PolarHBondContact O-N 2.8Å |
| 194 | G | 92.1 | Very high | 86.4 | Confident | 28 Ų | 28 | 84 Ų | 84 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S190 F192 L197 I198 | S190-G194 WeakPolarHBondContact O-CA 3.5Å; S190-G194 PolarHBondContact O-N 3.31Å; F192-G194 VanDerWaalsContact C-N 3.33Å; F192-G194 PolarHBondContact O-N 3.36Å; G194-L197 PolarHBondContact O-N 3.22Å; G194-I198 WeakPolarHBondContact O-CB 3.45Å; G194-I198 WeakPolarHBondContact O-CD1 3.21Å; G194-I198 VanDerWaalsContact O-CG1 3.23Å; G194-I198 WeakPolarHBondContact O-CG1 3.43Å; G194-I198 PolarHBondContact O-N 2.93Å |
| 195 | A | 88.3 | Confident | 86 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R191 F192 I198 V199 | R191-A195 VanDerWaalsContact O-CB 3.28Å; R191-A195 WeakPolarHBondContact O-CB 3.27Å; R191-A195 PolarHBondContact O-N 3.15Å; F192-A195 PolarHBondContact O-N 2.82Å; A195-I198 PolarHBondContact O-N 3.38Å; A195-V199 WeakPolarHBondContact O-CG2 3.48Å; A195-V199 PolarHBondContact O-N 3.5Å |
| 196 | V | 88.4 | Confident | 85.8 | Confident | 65 Ų | 65 | 83 Ų | 83 | 39% | 0.394 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | F192 V199 V200 | F192-V196 HydrophobicContact CD1-CG2 4.44Å; F192-V196 HydrophobicContact CE1-CG2 4.09Å; F192-V196 HydrophobicContact CE2-CG2 4.17Å; F192-V196 HydrophobicContact CZ-CG2 3.95Å; F192-V196 WeakPolarHBondContact O-CG2 3.42Å; F192-V196 PolarHBondContact O-N 2.99Å; V196-V199 PolarHBondContact O-N 3.35Å; V196-V200 HydrophobicContact CG1-CG2 4.5Å; V196-V200 WeakPolarHBondContact O-CG2 3.28Å; V196-V200 PolarHBondContact O-N 3.41Å |
| 197 | L | 89.9 | Confident | 85.3 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 176.7 | -177.6 | 62.4 | 0 | 0 | 0 | 111.7 | Y193 G194 V199 V200 C201 | Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.32Å; Y193-L197 PolarHBondContact O-N 2.8Å; G194-L197 PolarHBondContact O-N 3.22Å; L197-V199 PolarHBondContact O-N 2.9Å; L197-V200 PolarHBondContact O-N 2.71Å; L197-C201 WeakPolarHBondContact O-CB 3.37Å; L197-C201 PolarHBondContact O-N 2.91Å; L197-C201 PolarHBondContact O-SG 3.22Å |
| 198 | I | 87.7 | Confident | 84.8 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 55% | 0.549 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.1 | -70.9 | 163.9 | 0 | 0 | 0 | 110.7 | G194 A195 C201 L202 | G194-I198 WeakPolarHBondContact O-CB 3.45Å; G194-I198 WeakPolarHBondContact O-CD1 3.21Å; G194-I198 VanDerWaalsContact O-CG1 3.23Å; G194-I198 WeakPolarHBondContact O-CG1 3.43Å; G194-I198 PolarHBondContact O-N 2.93Å; A195-I198 PolarHBondContact O-N 3.38Å; I198-C201 PolarHBondContact O-N 3.43Å; I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.43Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.26Å; I198-L202 PolarHBondContact O-N 2.96Å |
| 199 | V | 85.8 | Confident | 84.5 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | A195 V196 L197 L202 L203 | A195-V199 WeakPolarHBondContact O-CG2 3.48Å; A195-V199 PolarHBondContact O-N 3.5Å; V196-V199 PolarHBondContact O-N 3.35Å; L197-V199 PolarHBondContact O-N 2.9Å; V199-L202 PolarHBondContact O-N 3.2Å; V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 VanDerWaalsContact O-CG 3.27Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 3.29Å |
| 200 | V | 85.8 | Confident | 84.1 | Confident | 81 Ų | 81 | 88.6 Ų | 88.6 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | V196 L197 L203 Y204 | V196-V200 HydrophobicContact CG1-CG2 4.5Å; V196-V200 WeakPolarHBondContact O-CG2 3.28Å; V196-V200 PolarHBondContact O-N 3.41Å; L197-V200 PolarHBondContact O-N 2.71Å; V200-L203 PolarHBondContact O-N 3.48Å; V200-Y204 WeakPolarHBondContact O-CB 3.16Å; V200-Y204 PolarHBondContact O-N 2.94Å |
| 201 | C | 83.2 | Confident | 83.9 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 43% | 0.432 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.9 | -71 | 0 | 0 | 0 | 0 | 112.1 | L197 I198 Y204 V205 | L197-C201 WeakPolarHBondContact O-CB 3.37Å; L197-C201 PolarHBondContact O-N 2.91Å; L197-C201 PolarHBondContact O-SG 3.22Å; I198-C201 PolarHBondContact O-N 3.43Å; C201-Y204 PolarHBondContact O-N 3.4Å; C201-V205 WeakPolarHBondContact O-CB 3.36Å; C201-V205 WeakPolarHBondContact O-CG2 3.49Å; C201-V205 PolarHBondContact O-N 2.94Å |
| 202 | L | 80.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 46% | 0.461 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 175.1 | -72.9 | 169.7 | 0 | 0 | 0 | 111.7 | I198 V199 Y204 V205 A206 V211 | I198-L202 HydrophobicContact CG2-CD1 3.92Å; I198-L202 HydrophobicContact CG2-CG 4.43Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.26Å; I198-L202 PolarHBondContact O-N 2.96Å; V199-L202 PolarHBondContact O-N 3.2Å; L202-Y204 PolarHBondContact O-N 2.9Å; L202-V205 PolarHBondContact O-N 2.85Å; L202-A206 WeakPolarHBondContact O-CB 3.48Å; L202-A206 PolarHBondContact O-N 3.11Å; L202-V211 HydrophobicContact CB-CG1 4.3Å; L202-V211 HydrophobicContact CB-CG2 4.38Å; L202-V211 WeakPolarHBondContact O-CG2 3.21Å |
| 203 | L | 77.6 | Confident | 83.5 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.9 | -23.9 | 175.2 | -71.3 | 167.9 | 0 | 0 | 0 | 113.5 | V199 V200 L208 V211 | V199-L203 HydrophobicContact CG1-CD1 3.88Å; V199-L203 HydrophobicContact CG1-CG 4.4Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 VanDerWaalsContact O-CG 3.27Å; V199-L203 WeakPolarHBondContact O-CG 3.39Å; V199-L203 PolarHBondContact O-N 3.29Å; V200-L203 PolarHBondContact O-N 3.48Å; L203-L208 HydrophobicContact CB-CD2 4.12Å; L203-L208 HydrophobicContact CD2-CD2 3.69Å; L203-L208 VanDerWaalsContact O-CD2 3.32Å; L203-L208 WeakPolarHBondContact O-CD2 3.29Å; L203-V211 HydrophobicContact CD2-CB 3.93Å; L203-V211 HydrophobicContact CD2-CG1 3.67Å; L203-V211 HydrophobicContact CD2-CG2 4.44Å; L203-V211 HydrophobicContact CG-CG1 4.03Å |
| 204 | Y | 77.8 | Confident | 83.2 | Confident | 205 Ų | 205 | 73.4 Ų | 73.4 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -88.7 | -36.8 | 177.1 | -179.5 | -98.9 | 0 | 0 | 0 | 113.4 | V200 C201 L202 | V200-Y204 WeakPolarHBondContact O-CB 3.16Å; V200-Y204 PolarHBondContact O-N 2.94Å; C201-Y204 PolarHBondContact O-N 3.4Å; L202-Y204 PolarHBondContact O-N 2.9Å |
| 205 | V | 76.4 | Confident | 82.9 | Confident | 121 Ų | 121 | 75.4 Ų | 75.4 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -93.6 | -35.3 | -173.6 | 176.9 | 0 | 0 | 0 | 0 | 112.9 | C201 L202 | C201-V205 WeakPolarHBondContact O-CB 3.36Å; C201-V205 WeakPolarHBondContact O-CG2 3.49Å; C201-V205 PolarHBondContact O-N 2.94Å; L202-V205 PolarHBondContact O-N 2.85Å |
| 206 | A | 76.1 | Confident | 82.9 | Confident | 33 Ų | 33 | 73.7 Ų | 73.7 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -99.2 | 147.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L202 L208 V211 | L202-A206 WeakPolarHBondContact O-CB 3.48Å; L202-A206 PolarHBondContact O-N 3.11Å; A206-L208 PolarHBondContact O-N 3.23Å; A206-V211 HydrophobicContact CB-CG2 3.78Å |
| 207 | P | 78.9 | Confident | 82.9 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | trans | -61.2 | 129.6 | 176.6 | -15.9 | 27.8 | 0 | 0 | 0 | 109.9 | G209 W210 | P207-G209 PolarHBondContact O-N 3.39Å; P207-W210 PolarHBondContact O-N 2.81Å | ||
| 208 | L | 76.4 | Confident | 82.8 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 45% | 0.445 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -47.2 | -37.6 | -167.9 | -66 | 170 | 0 | 0 | 0 | 114.2 | L203 A206 W210 V211 L212 | L203-L208 HydrophobicContact CB-CD2 4.12Å; L203-L208 HydrophobicContact CD2-CD2 3.69Å; L203-L208 VanDerWaalsContact O-CD2 3.32Å; L203-L208 WeakPolarHBondContact O-CD2 3.29Å; A206-L208 PolarHBondContact O-N 3.23Å; L208-W210 VanDerWaalsContact C-N 3.35Å; L208-W210 PolarHBondContact O-N 3.37Å; L208-V211 PolarHBondContact O-N 3.43Å; L208-L212 WeakPolarHBondContact O-CG 3.05Å; L208-L212 PolarHBondContact O-N 3.4Å |
| 209 | G | 78.6 | Confident | 82.8 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.9 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F91 P207 L212 A213 | F91-G209 WeakPolarHBondContact O-CA 3.14Å; P207-G209 PolarHBondContact O-N 3.39Å; G209-L212 PolarHBondContact O-N 3.4Å; G209-A213 VanDerWaalsContact O-CB 3.27Å; G209-A213 WeakPolarHBondContact O-CB 3.04Å; G209-A213 PolarHBondContact O-N 2.94Å |
| 210 | W | 82.8 | Confident | 82.8 | Confident | 172 Ų | 172 | 68.3 Ų | 68.3 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70.3 | -34.8 | 178.1 | -69 | 101.2 | 0 | 0 | 0 | 112.5 | P207 L208 G214 | P207-W210 PolarHBondContact O-N 2.81Å; L208-W210 VanDerWaalsContact C-N 3.35Å; L208-W210 PolarHBondContact O-N 3.37Å; W210-G214 PolarHBondContact O-N 3.43Å |
| 211 | V | 85.5 | Confident | 82.6 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 11% | 0.109 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | L202 L203 A206 L208 G214 L215 | L202-V211 HydrophobicContact CB-CG1 4.3Å; L202-V211 HydrophobicContact CB-CG2 4.38Å; L202-V211 WeakPolarHBondContact O-CG2 3.21Å; L203-V211 HydrophobicContact CD2-CB 3.93Å; L203-V211 HydrophobicContact CD2-CG1 3.67Å; L203-V211 HydrophobicContact CD2-CG2 4.44Å; L203-V211 HydrophobicContact CG-CG1 4.03Å; A206-V211 HydrophobicContact CB-CG2 3.78Å; L208-V211 PolarHBondContact O-N 3.43Å; V211-G214 PolarHBondContact O-N 2.82Å; V211-L215 HydrophobicContact CG1-CD1 4.22Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 VanDerWaalsContact O-CG 3.29Å; V211-L215 WeakPolarHBondContact O-CG 3.44Å; V211-L215 PolarHBondContact O-N 2.96Å |
| 212 | L | 83.9 | Confident | 82.6 | Confident | 54 Ų | 54 | 75 Ų | 75 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 176.9 | -68.4 | 168 | 0 | 0 | 0 | 112.3 | F91 W99 L208 G209 N216 | F91-L212 HydrophobicContact CB-CB 4.08Å; F91-L212 HydrophobicContact CD1-CB 4.4Å; F91-L212 HydrophobicContact CD2-CB 4.14Å; F91-L212 HydrophobicContact CG-CB 3.96Å; W99-L212 HydrophobicContact CH2-CD1 3.64Å; W99-L212 HydrophobicContact CZ2-CD1 3.44Å; W99-L212 VanDerWaalsContact CZ2-CD1 3.44Å; L208-L212 WeakPolarHBondContact O-CG 3.05Å; L208-L212 PolarHBondContact O-N 3.4Å; G209-L212 PolarHBondContact O-N 3.4Å; L212-N216 VanDerWaalsContact O-CB 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.26Å; L212-N216 PolarHBondContact O-N 3.34Å |
| 213 | A | 86.7 | Confident | 82.7 | Confident | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N88 F91 G209 L215 N216 S217 | N88-A213 HydrophobicContact CB-CB 4.46Å; N88-A213 VanDerWaalsContact OD1-C 3.31Å; N88-A213 WeakPolarHBondContact OD1-CA 3.21Å; N88-A213 VanDerWaalsContact OD1-CB 3.32Å; N88-A213 WeakPolarHBondContact OD1-CB 3.49Å; N88-A213 PolarHBondContact OD1-O 3.33Å; F91-A213 HydrophobicContact CB-CB 4.45Å; G209-A213 VanDerWaalsContact O-CB 3.27Å; G209-A213 WeakPolarHBondContact O-CB 3.04Å; G209-A213 PolarHBondContact O-N 2.94Å; A213-L215 PolarHBondContact O-N 2.91Å; A213-N216 PolarHBondContact O-N 2.84Å; A213-S217 WeakPolarHBondContact O-CB 3.5Å; A213-S217 PolarHBondContact O-N 3.48Å; A213-S217 PolarHBondContact O-OG 2.87Å; A213-S217 VanDerWaalsContact O-OG 3.09Å |
| 214 | G | 84.5 | Confident | 82.6 | Confident | 33 Ų | 33 | 80.3 Ų | 80.3 | 34% | 0.34 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | W210 V211 S217 I218 | W210-G214 PolarHBondContact O-N 3.43Å; V211-G214 PolarHBondContact O-N 2.82Å; G214-S217 PolarHBondContact O-N 3.01Å; G214-I218 VanDerWaalsContact O-CG1 3.29Å; G214-I218 WeakPolarHBondContact O-CG1 3.45Å; G214-I218 PolarHBondContact O-N 3.34Å |
| 215 | L | 86.7 | Confident | 82.7 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.6 | -73.6 | 171.7 | 0 | 0 | 0 | 112.3 | V211 A213 I218 V219 | V211-L215 HydrophobicContact CG1-CD1 4.22Å; V211-L215 WeakPolarHBondContact O-CB 3.36Å; V211-L215 VanDerWaalsContact O-CG 3.29Å; V211-L215 WeakPolarHBondContact O-CG 3.44Å; V211-L215 PolarHBondContact O-N 2.96Å; A213-L215 PolarHBondContact O-N 2.91Å; L215-I218 PolarHBondContact O-N 3.23Å; L215-V219 WeakPolarHBondContact O-CB 3.48Å; L215-V219 VanDerWaalsContact O-CG2 3.31Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.69Å |
| 216 | N | 87.9 | Confident | 82.9 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.7 | -176.8 | -104.6 | 0 | 0 | 0 | 111.6 | N88 F91 L212 A213 I218 V219 F220 | N88-N216 PolarHBondContact ND2-OD1 2.93Å; N88-N216 VanDerWaalsContact ND2-OD1 3.1Å; F91-N216 HydrophobicContact CD2-CB 4.18Å; F91-N216 HydrophobicContact CE2-CB 3.88Å; L212-N216 VanDerWaalsContact O-CB 3.24Å; L212-N216 WeakPolarHBondContact O-CB 3.26Å; L212-N216 PolarHBondContact O-N 3.34Å; A213-N216 PolarHBondContact O-N 2.84Å; N216-I218 PolarHBondContact O-N 3.5Å; N216-V219 PolarHBondContact O-N 3.11Å; N216-F220 WeakPolarHBondContact O-CD2 3.46Å; N216-F220 PolarHBondContact O-N 2.99Å |
| 217 | S | 88.3 | Confident | 83 | Confident | 32 Ų | 32 | 74.1 Ų | 74.1 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 174.6 | -69 | 0 | 0 | 0 | 0 | 111.7 | N88 A213 G214 F220 L221 | N88-S217 PolarHBondContact ND2-OG 3.24Å; N88-S217 PolarHBondContact OD1-OG 3.46Å; A213-S217 WeakPolarHBondContact O-CB 3.5Å; A213-S217 PolarHBondContact O-N 3.48Å; A213-S217 PolarHBondContact O-OG 2.87Å; A213-S217 VanDerWaalsContact O-OG 3.09Å; G214-S217 PolarHBondContact O-N 3.01Å; S217-F220 PolarHBondContact O-N 3.47Å; S217-L221 WeakPolarHBondContact O-CB 3.44Å; S217-L221 WeakPolarHBondContact O-CD1 3.27Å; S217-L221 WeakPolarHBondContact O-CG 3.32Å; S217-L221 PolarHBondContact O-N 3.42Å |
| 218 | I | 87.7 | Confident | 83.1 | Confident | 93 Ų | 93 | 76.5 Ų | 76.5 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 173.9 | -69.6 | 162.7 | 0 | 0 | 0 | 110.5 | G214 L215 N216 F220 L221 W222 | G214-I218 VanDerWaalsContact O-CG1 3.29Å; G214-I218 WeakPolarHBondContact O-CG1 3.45Å; G214-I218 PolarHBondContact O-N 3.34Å; L215-I218 PolarHBondContact O-N 3.23Å; N216-I218 PolarHBondContact O-N 3.5Å; I218-F220 VanDerWaalsContact C-N 3.3Å; I218-F220 PolarHBondContact O-N 3.37Å; I218-L221 PolarHBondContact O-N 3.1Å; I218-W222 HydrophobicContact CG2-CB 4.5Å; I218-W222 HydrophobicContact CG2-CE3 4.18Å; I218-W222 WeakPolarHBondContact O-CB 3.3Å; I218-W222 PolarHBondContact O-N 2.93Å |
| 219 | V | 87.4 | Confident | 83.4 | Confident | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -36.9 | -178.2 | 163.1 | 0 | 0 | 0 | 0 | 112.8 | L72 L215 N216 | L72-V219 HydrophobicContact CD2-CG1 3.57Å; L215-V219 WeakPolarHBondContact O-CB 3.48Å; L215-V219 VanDerWaalsContact O-CG2 3.31Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 2.69Å; N216-V219 PolarHBondContact O-N 3.11Å |
| 220 | F | 85.4 | Confident | 83.4 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -79.6 | -41.6 | 174.7 | -86.9 | -97.9 | 0 | 0 | 0 | 113.3 | L71 L72 W74 V83 C84 L87 N216 S217 I218 | L71-F220 HydrophobicContact CB-CE1 4.45Å; L72-F220 HydrophobicContact CD2-CD1 4.39Å; L72-F220 HydrophobicContact CD2-CD2 4.06Å; L72-F220 HydrophobicContact CD2-CE1 4.39Å; L72-F220 HydrophobicContact CD2-CE2 4.05Å; L72-F220 HydrophobicContact CD2-CG 4.23Å; L72-F220 HydrophobicContact CD2-CZ 4.23Å; W74-F220 HydrophobicContact CZ2-CB 4.27Å; W74-F220 HydrophobicContact CZ2-CD1 4.31Å; W74-F220 PolarHBondContact NE1-O 3.36Å; V83-F220 HydrophobicContact CG1-CZ 4Å; C84-F220 HydrophobicContact CB-CB 4.34Å; C84-F220 HydrophobicContact CB-CD1 3.86Å; C84-F220 HydrophobicContact CB-CD2 4.25Å; C84-F220 HydrophobicContact CB-CE1 4.18Å; C84-F220 HydrophobicContact CB-CG 3.89Å; L87-F220 HydrophobicContact CD1-CE2 4.32Å; N216-F220 WeakPolarHBondContact O-CD2 3.46Å; N216-F220 PolarHBondContact O-N 2.99Å; S217-F220 PolarHBondContact O-N 3.47Å; I218-F220 VanDerWaalsContact C-N 3.3Å; I218-F220 PolarHBondContact O-N 3.37Å |
| 221 | L | 82.7 | Confident | 83.4 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -88.8 | -18.3 | -169 | -59 | 169.6 | 0 | 0 | 0 | 114.2 | W74 S217 I218 N223 F226 | W74-L221 HydrophobicContact CZ2-CD2 4.26Å; S217-L221 WeakPolarHBondContact O-CB 3.44Å; S217-L221 WeakPolarHBondContact O-CD1 3.27Å; S217-L221 WeakPolarHBondContact O-CG 3.32Å; S217-L221 PolarHBondContact O-N 3.42Å; I218-L221 PolarHBondContact O-N 3.1Å; L221-N223 PolarHBondContact O-N 2.89Å; L221-F226 HydrophobicContact CB-CD1 4.37Å; L221-F226 HydrophobicContact CD2-CD1 3.86Å; L221-F226 HydrophobicContact CD2-CD2 4.12Å; L221-F226 HydrophobicContact CD2-CE1 3.5Å; L221-F226 VanDerWaalsContact CD2-CE1 3.5Å; L221-F226 HydrophobicContact CD2-CE2 3.77Å; L221-F226 HydrophobicContact CD2-CG 4.17Å; L221-F226 HydrophobicContact CD2-CZ 3.44Å; L221-F226 VanDerWaalsContact CD2-CZ 3.44Å |
| 222 | W | 83.8 | Confident | 83.2 | Confident | 216 Ų | 216 | 76.3 Ų | 76.3 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.8 | 179.8 | -171 | -82.6 | 0 | 0 | 0 | 113.4 | I218 | I218-W222 HydrophobicContact CG2-CB 4.5Å; I218-W222 HydrophobicContact CG2-CE3 4.18Å; I218-W222 WeakPolarHBondContact O-CB 3.3Å; I218-W222 PolarHBondContact O-N 2.93Å |
| 223 | N | 80.8 | Confident | 83 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -71.6 | 133.3 | 179.7 | -172.3 | 2.9 | 0 | 0 | 0 | 111.9 | L72 L221 D225 F226 | L72-N223 PolarHBondContact O-ND2 3.39Å; L221-N223 PolarHBondContact O-N 2.89Å; N223-D225 PolarHBondContact ND2-OD2 2.9Å; N223-D225 PolarHBondContact O-N 3.48Å; N223-D225 PolarHBondContact OD1-N 3.04Å; N223-D225 PolarHBondContact OD1-OD2 3.3Å; N223-F226 VanDerWaalsContact O-CB 3.32Å; N223-F226 WeakPolarHBondContact O-CB 3.34Å; N223-F226 PolarHBondContact O-N 3.47Å |
| 224 | R | 76.5 | Confident | 82.8 | Confident | 216 Ų | 216 | 84.8 Ų | 84.8 | 82% | 0.815 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.5 | -29 | 170.2 | -76.2 | -178 | 160.5 | -168.1 | -7.4 | 113.6 | F226 Y227 R228 | R224-F226 VanDerWaalsContact C-N 3.29Å; R224-F226 PolarHBondContact O-N 2.85Å; R224-Y227 PolarHBondContact O-N 3.28Å; R224-R228 PolarHBondContact O-N 2.71Å |
| 225 | D | 80.6 | Confident | 82.7 | Confident | 35 Ų | 35 | 87 Ų | 87 | 19% | 0.187 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.9 | -29.4 | 175.5 | -61.4 | -52.5 | 0 | 0 | 0 | 112.9 | W74 N223 R228 V229 | W74-D225 HydrophobicContact CB-CB 4.48Å; N223-D225 PolarHBondContact ND2-OD2 2.9Å; N223-D225 PolarHBondContact O-N 3.48Å; N223-D225 PolarHBondContact OD1-N 3.04Å; N223-D225 PolarHBondContact OD1-OD2 3.3Å; D225-R228 PolarHBondContact O-N 2.9Å; D225-R228 IonicContact OD1-CZ 3.78Å; D225-R228 IonicContact OD1-NH1 3.16Å; D225-R228 PolarHBondContact OD1-NH1 2.8Å; D225-V229 PolarHBondContact O-N 3.3Å |
| 226 | F | 80.1 | Confident | 82.2 | Confident | 35 Ų | 35 | 89.3 Ų | 89.3 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.7 | 174.3 | -113.3 | 0 | 0 | 0 | 111.3 | W74 L221 N223 R224 R228 V229 L230 | W74-F226 HydrophobicContact CD2-CB 4.3Å; W74-F226 AromaticContact CD2-CD2 3.8Å; W74-F226 HydrophobicContact CD2-CD2 3.8Å; W74-F226 AromaticContact CE2-CD2 3.51Å; W74-F226 AromaticContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CE3-CD2 3.95Å; W74-F226 HydrophobicContact CG-CB 4.26Å; W74-F226 AromaticContact CH2-CD2 3.62Å; W74-F226 HydrophobicContact CH2-CD2 3.62Å; W74-F226 AromaticContact CH2-CE2 3.7Å; W74-F226 HydrophobicContact CH2-CE2 3.7Å; W74-F226 AromaticContact CZ2-CD2 3.43Å; W74-F226 HydrophobicContact CZ2-CD2 3.43Å; W74-F226 VanDerWaalsContact CZ2-CD2 3.43Å; W74-F226 AromaticContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CE2 3.9Å; W74-F226 HydrophobicContact CZ2-CG 4.2Å; W74-F226 AromaticContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CD2 3.87Å; W74-F226 HydrophobicContact CZ3-CE2 4.05Å; L221-F226 HydrophobicContact CB-CD1 4.37Å; L221-F226 HydrophobicContact CD2-CD1 3.86Å; L221-F226 HydrophobicContact CD2-CD2 4.12Å; L221-F226 HydrophobicContact CD2-CE1 3.5Å; L221-F226 VanDerWaalsContact CD2-CE1 3.5Å; L221-F226 HydrophobicContact CD2-CE2 3.77Å; L221-F226 HydrophobicContact CD2-CG 4.17Å; L221-F226 HydrophobicContact CD2-CZ 3.44Å; L221-F226 VanDerWaalsContact CD2-CZ 3.44Å; N223-F226 VanDerWaalsContact O-CB 3.32Å; N223-F226 WeakPolarHBondContact O-CB 3.34Å; N223-F226 PolarHBondContact O-N 3.47Å; R224-F226 VanDerWaalsContact C-N 3.29Å; R224-F226 PolarHBondContact O-N 2.85Å; F226-R228 VanDerWaalsContact C-N 3.29Å; F226-R228 PolarHBondContact O-N 2.79Å; F226-V229 PolarHBondContact O-N 2.99Å; F226-L230 HydrophobicContact CE1-CD1 3.96Å; F226-L230 HydrophobicContact CE2-CD1 4.36Å; F226-L230 HydrophobicContact CZ-CD1 3.6Å; F226-L230 WeakPolarHBondContact O-CB 3.24Å; F226-L230 PolarHBondContact O-N 3.01Å |
| 227 | Y | 76.9 | Confident | 81.5 | Confident | 160 Ų | 160 | 95.2 Ų | 95.2 | 63% | 0.627 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.9 | -34.8 | 176.9 | -72 | -89.2 | 0 | 0 | 0 | 112.5 | R224 L231 | R224-Y227 PolarHBondContact O-N 3.28Å; Y227-L231 WeakPolarHBondContact O-CB 3.33Å; Y227-L231 PolarHBondContact O-N 2.98Å |
| 228 | R | 82.1 | Confident | 80.8 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 53% | 0.528 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.4 | -53.2 | 172.1 | -168.4 | -172.1 | -64.8 | 106.3 | -0.3 | 110.6 | R224 D225 F226 L230 L231 D232 | R224-R228 PolarHBondContact O-N 2.71Å; D225-R228 PolarHBondContact O-N 2.9Å; D225-R228 IonicContact OD1-CZ 3.78Å; D225-R228 IonicContact OD1-NH1 3.16Å; D225-R228 PolarHBondContact OD1-NH1 2.8Å; F226-R228 VanDerWaalsContact C-N 3.29Å; F226-R228 PolarHBondContact O-N 2.79Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.4Å; R228-L231 WeakPolarHBondContact O-CA 3.43Å; R228-L231 WeakPolarHBondContact O-CB 3.29Å; R228-L231 PolarHBondContact O-N 3.3Å; R228-D232 PolarHBondContact O-N 3.1Å |
| 229 | V | 81.8 | Confident | 79.7 | Confident | 32 Ų | 32 | 98.2 Ų | 98.2 | 19% | 0.194 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -56.3 | -39.1 | 178.1 | 162.8 | 0 | 0 | 0 | 0 | 112.4 | W74 P77 D225 F226 D232 L233 | W74-V229 HydrophobicContact CB-CG2 4.1Å; W74-V229 HydrophobicContact CE3-CG1 4.36Å; P77-V229 HydrophobicContact CB-CG1 3.51Å; P77-V229 HydrophobicContact CB-CG2 4.21Å; P77-V229 HydrophobicContact CG-CG1 4.31Å; D225-V229 PolarHBondContact O-N 3.3Å; F226-V229 PolarHBondContact O-N 2.99Å; V229-D232 PolarHBondContact O-N 3.43Å; V229-L233 VanDerWaalsContact O-CB 3.25Å; V229-L233 WeakPolarHBondContact O-CB 3.32Å; V229-L233 PolarHBondContact O-N 3.5Å |
| 230 | L | 80.1 | Confident | 78.4 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.2 | -33.3 | 178.3 | -172.8 | 141.5 | 0 | 0 | 0 | 112.3 | F226 R228 R234 | F226-L230 HydrophobicContact CE1-CD1 3.96Å; F226-L230 HydrophobicContact CE2-CD1 4.36Å; F226-L230 HydrophobicContact CZ-CD1 3.6Å; F226-L230 WeakPolarHBondContact O-CB 3.24Å; F226-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact C-N 3.26Å; R228-L230 PolarHBondContact O-N 3.4Å; L230-R234 VanDerWaalsContact O-CB 3.3Å; L230-R234 WeakPolarHBondContact O-CB 3.31Å; L230-R234 PolarHBondContact O-N 2.86Å |
| 231 | L | 81.5 | Confident | 77.1 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 171.1 | -173.7 | 66.6 | 0 | 0 | 0 | 111.3 | Y227 R228 L233 R234 N235 | Y227-L231 WeakPolarHBondContact O-CB 3.33Å; Y227-L231 PolarHBondContact O-N 2.98Å; R228-L231 WeakPolarHBondContact O-CA 3.43Å; R228-L231 WeakPolarHBondContact O-CB 3.29Å; R228-L231 PolarHBondContact O-N 3.3Å; L231-L233 PolarHBondContact O-N 3.28Å; L231-R234 WeakPolarHBondContact O-CB 3.41Å; L231-R234 PolarHBondContact O-N 3.3Å; L231-N235 WeakPolarHBondContact O-CB 3.27Å; L231-N235 PolarHBondContact O-N 3.42Å; L231-N235 PolarHBondContact O-ND2 2.9Å; L231-N235 PolarHBondContact O-OD1 3.46Å |
| 232 | D | 82.2 | Confident | 75.8 | Confident | 77 Ų | 77 | 101.8 Ų | 101.8 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 177.6 | -61.8 | -28.8 | 0 | 0 | 0 | 111 | R228 V229 N235 L236 | R228-D232 PolarHBondContact O-N 3.1Å; V229-D232 PolarHBondContact O-N 3.43Å; D232-N235 PolarHBondContact O-N 3Å; D232-L236 WeakPolarHBondContact O-CG 3.23Å; D232-L236 PolarHBondContact O-N 2.84Å |
| 233 | L | 78.8 | Confident | 74.4 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 48% | 0.482 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 176.4 | -169.1 | 71 | 0 | 0 | 0 | 111.8 | V229 L231 N235 L236 F237 | V229-L233 VanDerWaalsContact O-CB 3.25Å; V229-L233 WeakPolarHBondContact O-CB 3.32Å; V229-L233 PolarHBondContact O-N 3.5Å; L231-L233 PolarHBondContact O-N 3.28Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 2.86Å; L233-L236 PolarHBondContact O-N 3.28Å; L233-F237 HydrophobicContact CD1-CE2 4.18Å; L233-F237 HydrophobicContact CD2-CE2 4.27Å; L233-F237 HydrophobicContact CG-CD2 4.05Å; L233-F237 HydrophobicContact CG-CE2 3.91Å; L233-F237 VanDerWaalsContact O-CD2 3.28Å; L233-F237 WeakPolarHBondContact O-CD2 3.43Å; L233-F237 PolarHBondContact O-N 2.88Å |
| 234 | R | 83.9 | Confident | 72.9 | Confident | 145 Ų | 145 | 100.2 Ų | 100.2 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 172.3 | 166.4 | 179.3 | 167.6 | -155.5 | -10 | 111.4 | L230 L231 F237 H238 | L230-R234 VanDerWaalsContact O-CB 3.3Å; L230-R234 WeakPolarHBondContact O-CB 3.31Å; L230-R234 PolarHBondContact O-N 2.86Å; L231-R234 WeakPolarHBondContact O-CB 3.41Å; L231-R234 PolarHBondContact O-N 3.3Å; R234-F237 PolarHBondContact O-N 3.39Å; R234-H238 PolarHBondContact NE-NE2 3.37Å; R234-H238 PolarHBondContact O-CD2 2.88Å; R234-H238 PolarHBondContact O-N 3.49Å |
| 235 | N | 80.6 | Confident | 71.7 | Confident | 80 Ų | 80 | 96.5 Ų | 96.5 | 43% | 0.428 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 179.8 | -66.9 | -18 | 0 | 0 | 0 | 111.4 | L231 D232 L233 H238 L239 | L231-N235 WeakPolarHBondContact O-CB 3.27Å; L231-N235 PolarHBondContact O-N 3.42Å; L231-N235 PolarHBondContact O-ND2 2.9Å; L231-N235 PolarHBondContact O-OD1 3.46Å; D232-N235 PolarHBondContact O-N 3Å; L233-N235 VanDerWaalsContact C-N 3.33Å; L233-N235 PolarHBondContact O-N 2.86Å; N235-H238 PolarHBondContact O-N 3.02Å; N235-L239 WeakPolarHBondContact O-CB 3.46Å; N235-L239 PolarHBondContact O-N 2.92Å |
| 236 | L | 77 | Confident | 70.2 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 172.2 | -72 | 168.5 | 0 | 0 | 0 | 112.5 | D232 L233 L239 G240 | D232-L236 WeakPolarHBondContact O-CG 3.23Å; D232-L236 PolarHBondContact O-N 2.84Å; L233-L236 PolarHBondContact O-N 3.28Å; L236-L239 PolarHBondContact O-N 2.89Å; L236-G240 PolarHBondContact O-N 2.94Å |
| 237 | F | 74.2 | Confident | 68.6 | Low | 145 Ų | 145 | 101.9 Ų | 101.9 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -43 | 175 | -87.8 | -66.7 | 0 | 0 | 0 | 112.5 | L233 R234 Q241 | L233-F237 HydrophobicContact CD1-CE2 4.18Å; L233-F237 HydrophobicContact CD2-CE2 4.27Å; L233-F237 HydrophobicContact CG-CD2 4.05Å; L233-F237 HydrophobicContact CG-CE2 3.91Å; L233-F237 VanDerWaalsContact O-CD2 3.28Å; L233-F237 WeakPolarHBondContact O-CD2 3.43Å; L233-F237 PolarHBondContact O-N 2.88Å; R234-F237 PolarHBondContact O-N 3.39Å; F237-Q241 VanDerWaalsContact O-CB 3.3Å; F237-Q241 WeakPolarHBondContact O-CB 3.39Å; F237-Q241 PolarHBondContact O-N 2.86Å |
| 238 | H | 72.5 | Confident | 66.9 | Low | 92 Ų | 92 | 101.9 Ų | 101.9 | 43% | 0.426 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 174.3 | -74.9 | -60.2 | 0 | 0 | 0 | 111.9 | R234 N235 G240 Q241 T242 | R234-H238 PolarHBondContact NE-NE2 3.37Å; R234-H238 PolarHBondContact O-CD2 2.88Å; R234-H238 PolarHBondContact O-N 3.49Å; N235-H238 PolarHBondContact O-N 3.02Å; H238-G240 PolarHBondContact O-N 2.96Å; H238-Q241 WeakPolarHBondContact O-CB 3.5Å; H238-Q241 PolarHBondContact O-N 3.21Å; H238-Q241 VanDerWaalsContact O-N 3.13Å; H238-T242 PolarHBondContact O-N 3.27Å; H238-T242 PolarHBondContact O-OG1 3.23Å; H238-T242 VanDerWaalsContact O-OG1 3.12Å |
| 239 | L | 65.2 | Low | 64.9 | Low | 96 Ų | 96 | 100 Ų | 100 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | -179.2 | -176.8 | 62.1 | 0 | 0 | 0 | 112.4 | N235 L236 Q241 T242 Q243 | N235-L239 WeakPolarHBondContact O-CB 3.46Å; N235-L239 PolarHBondContact O-N 2.92Å; L236-L239 PolarHBondContact O-N 2.89Å; L239-Q241 VanDerWaalsContact C-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.39Å; L239-T242 PolarHBondContact O-N 3.45Å; L239-Q243 WeakPolarHBondContact O-CG 3.25Å; L239-Q243 PolarHBondContact O-N 3.5Å |
| 240 | G | 59.3 | Low | 62.9 | Low | 30 Ų | 30 | 107.3 Ų | 107.3 | 31% | 0.309 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.9 | -33 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | L236 H238 T244 | L236-G240 PolarHBondContact O-N 2.94Å; H238-G240 PolarHBondContact O-N 2.96Å; G240-T244 WeakPolarHBondContact O-CB 3.27Å; G240-T244 PolarHBondContact O-N 2.92Å; G240-T244 PolarHBondContact O-OG1 3.14Å |
| 241 | Q | 59.4 | Low | 60.8 | Low | 142 Ų | 142 | 112.2 Ų | 112.2 | 66% | 0.664 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.6 | -35.2 | 175.7 | -166.4 | 168.9 | 16.7 | 0 | 0 | 112.3 | F237 H238 L239 L245 | F237-Q241 VanDerWaalsContact O-CB 3.3Å; F237-Q241 WeakPolarHBondContact O-CB 3.39Å; F237-Q241 PolarHBondContact O-N 2.86Å; H238-Q241 WeakPolarHBondContact O-CB 3.5Å; H238-Q241 PolarHBondContact O-N 3.21Å; H238-Q241 VanDerWaalsContact O-N 3.13Å; L239-Q241 VanDerWaalsContact C-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.39Å; Q241-L245 PolarHBondContact O-N 3.41Å |
| 242 | T | 54.8 | Low | 58.3 | Low | 68 Ų | 68 | 117.4 Ų | 117.4 | 42% | 0.417 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.7 | -50.5 | 170.7 | -42.7 | 0 | 0 | 0 | 0 | 111.2 | H238 L239 T244 L245 E246 | H238-T242 PolarHBondContact O-N 3.27Å; H238-T242 PolarHBondContact O-OG1 3.23Å; H238-T242 VanDerWaalsContact O-OG1 3.12Å; L239-T242 PolarHBondContact O-N 3.45Å; T242-T244 PolarHBondContact O-N 3.49Å; T242-L245 WeakPolarHBondContact O-CA 3.39Å; T242-L245 WeakPolarHBondContact O-CB 3.3Å; T242-L245 PolarHBondContact O-N 3.39Å; T242-E246 PolarHBondContact O-N 2.96Å |
| 243 | Q | 53.9 | Low | 56.2 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 56% | 0.556 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.3 | -31.9 | -179 | -72.9 | 178.3 | -12.3 | 0 | 0 | 113.2 | L239 L245 G247 | L239-Q243 WeakPolarHBondContact O-CG 3.25Å; L239-Q243 PolarHBondContact O-N 3.5Å; Q243-L245 VanDerWaalsContact C-N 3.3Å; Q243-G247 PolarHBondContact O-N 2.92Å |
| 244 | T | 49.8 | Very low | 54.4 | Low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.3 | -19.7 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | G240 T242 | G240-T244 WeakPolarHBondContact O-CB 3.27Å; G240-T244 PolarHBondContact O-N 2.92Å; G240-T244 PolarHBondContact O-OG1 3.14Å; T242-T244 PolarHBondContact O-N 3.49Å |
| 245 | L | 51.1 | Low | 51.8 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -83.5 | -42.5 | 173.4 | -164.1 | 74 | 0 | 0 | 0 | 111.2 | Q241 T242 Q243 | Q241-L245 PolarHBondContact O-N 3.41Å; T242-L245 WeakPolarHBondContact O-CA 3.39Å; T242-L245 WeakPolarHBondContact O-CB 3.3Å; T242-L245 PolarHBondContact O-N 3.39Å; Q243-L245 VanDerWaalsContact C-N 3.3Å |
| 246 | E | 49.3 | Very low | 49.3 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 54% | 0.542 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -68.8 | -44.8 | 178.5 | -67.1 | 167.7 | 141.6 | 0 | 0 | 111.3 | T242 L248 S249 | T242-E246 PolarHBondContact O-N 2.96Å; E246-L248 PolarHBondContact O-N 3.21Å; E246-S249 PolarHBondContact O-N 3.37Å |
| 247 | G | 45.5 | Very low | 47.1 | Very low | 66 Ų | 66 | 123.9 Ų | 123.9 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 6.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q243 | Q243-G247 PolarHBondContact O-N 2.92Š|
| 248 | L | 42.1 | Very low | 45 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 84% | 0.843 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 2.3 | 170.9 | -144.7 | 78.9 | 0 | 0 | 0 | 113.1 | E246 | E246-L248 PolarHBondContact O-N 3.21Š|
| 249 | S | 39.3 | Very low | 42.9 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -118.4 | -4 | -172.7 | -164.7 | 0 | 0 | 0 | 0 | 115.2 | E246 | E246-S249 PolarHBondContact O-N 3.37Š|
| 250 | E | 40.6 | Very low | 41.2 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -115.8 | 68 | -177.8 | -67.3 | -164 | 120.8 | 0 | 0 | 113 | ||||
| 251 | E | 36.3 | Very low | 39.7 | Very low | 194 Ų | 194 | 131.8 Ų | 131.8 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | trans | -139.7 | 44.6 | 165.8 | -150.7 | -171.3 | 142.8 | 0 | 0 | 113.6 | ||||
| 252 | Q | 29.4 | Very low | 39.2 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -152.6 | 110.1 | 162.3 | -154 | 158.6 | 11.4 | 0 | 0 | 116.2 | ||||
| 253 | E | 36.4 | Very low | 38.1 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -151.4 | 166.5 | 161.2 | -111.4 | -126.1 | 95.2 | 0 | 0 | 107.5 | A255 | E253-A255 PolarHBondContact OE1-N 2.63Š| ||
| 254 | P | 42.5 | Very low | 37.9 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | cis | -131.7 | 168.7 | 12.1 | 41 | -25 | 0 | 0 | 0 | 117.8 | ||||
| 255 | A | 28.9 | Very low | 36.9 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | trans | 23.3 | 131.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | E253 | E253-A255 PolarHBondContact OE1-N 2.63Š| ||
| 256 | N | 28.8 | Very low | 35.9 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | -159 | 164.1 | 129.1 | -106.8 | -62.4 | 0 | 0 | 0 | 113.1 | |||||
| 257 | T | 29.5 | Very low | 35.1 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -91.9 | 152.9 | -155.7 | 54.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 258 | A | 31.2 | Very low | 34.6 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 72.1 | 157.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 259 | D | 27.1 | Very low | 34.1 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -154 | 171.3 | 9 | -161 | 8.6 | 0 | 0 | 0 | 112.7 | ||||
| 260 | Q | 29.3 | Very low | 33.8 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 141.9 | 156.5 | -78.3 | 159.3 | 60.4 | 0 | 0 | 123.1 | ||||
| 261 | T | 28 | Very low | 34 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -107.5 | -173.8 | -179.6 | 20.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 262 | P | 49.5 | Very low | 34.5 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | cis | -133.6 | -161 | -45.9 | 34.6 | -14.4 | 0 | 0 | 0 | 113 | ||||
| 263 | T | 31.9 | Very low | 34.7 | Very low | 124 Ų | 124 | 126 Ų | 126 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | 86.3 | 161.5 | 152.7 | 10.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 264 | P | 50.2 | Low | 34.4 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | -133.7 | -137.4 | -97.3 | 48 | -30.1 | 0 | 0 | 0 | 114.5 | |||||
| 265 | T | 28.3 | Very low | 34 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 68.4 | 136.2 | -175.8 | 23.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 266 | S | 30.7 | Very low | 34.5 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | cis | -152 | -178.8 | -1.7 | 59.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 267 | L | 32.7 | Very low | 35.1 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | -150.6 | -157.1 | 7.7 | -160.1 | 94.2 | 0 | 0 | 0 | 109.2 | ||||
| 268 | E | 34.7 | Very low | 35.5 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -67.7 | 157.5 | 167.7 | -66.1 | 132 | 120.7 | 0 | 0 | 111.8 | ||||
| 269 | D | 31.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | -155.4 | 138.3 | 60.8 | -115.6 | -25.7 | 0 | 0 | 0 | 116.3 | |||||
| 270 | L | 32.8 | Very low | 36.2 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 32.7 | 124.2 | 144.8 | -59.9 | 170.5 | 0 | 0 | 0 | 122.9 | ||||
| 271 | S | 43.8 | Very low | 36.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -110.6 | 143.1 | 153.2 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 272 | P | 48.3 | Very low | 37.3 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | -144.7 | 159.8 | 113.8 | 38.1 | -24.8 | 0 | 0 | 0 | 113.8 | |||||
| 273 | G | 32.7 | Very low | 37 | Very low | 56 Ų | 56 | 136.1 Ų | 136.1 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | cis | 162.5 | 172.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 274 | S | 29.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | 48.8 | 120.1 | 168.1 | 58.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 275 | I | 35.8 | Very low | 36.8 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | -149.1 | 144.1 | 68 | -144.7 | 172.5 | 0 | 0 | 0 | 112.8 | |||||
| 276 | E | 38 | Very low | 37.3 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -85.8 | 179.4 | 161.4 | -63.2 | 164.4 | 124.4 | 0 | 0 | 107.5 | ||||
| 277 | E | 41.5 | Very low | 37.3 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | -167.9 | 167.8 | 23.8 | -158.9 | 174.7 | -179.7 | 0 | 0 | 108.7 | ||||
| 278 | A | 38 | Very low | 37.5 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | 65.2 | 139.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 279 | E | 34.1 | Very low | 37.7 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | 66.7 | 144.2 | 40.5 | -59.4 | -177.2 | 164.5 | 0 | 0 | 113.3 | ||||
| 280 | E | 38.9 | Very low | 37.9 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | cis | -166.7 | 141.6 | -21.4 | 173.2 | 179.9 | -118.7 | 0 | 0 | 105.9 | ||||
| 281 | A | 34.3 | Very low | 37.9 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -177.1 | 122.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 282 | E | 46 | Very low | 37.4 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -81.2 | 163.1 | 146.2 | -64.8 | -175.4 | 146.8 | 0 | 0 | 109.5 | ||||
| 283 | P | 44 | Very low | 36.8 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | -143.4 | 133.9 | 126.2 | 34.7 | -20.7 | 0 | 0 | 0 | 114.9 | |||||
| 284 | D | 40.4 | Very low | 36.7 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -89.4 | 150.1 | 149.4 | -86.5 | -34.8 | 0 | 0 | 0 | 109.8 | ||||
| 285 | D | 36.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | 151.8 | 98.5 | 158.9 | -88.2 | -11.5 | 0 | 0 | 0 | 107.9 | ||||
| 286 | E | 38.7 | Very low | 36.5 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 82.6 | 142.7 | 79.4 | -142.9 | -168.2 | -159.1 | 0 | 0 | 115.4 | |||||
| 287 | F | 31.2 | Very low | 36.2 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | trans | 59.3 | 113.7 | 172.3 | -78.7 | -75.6 | 0 | 0 | 0 | 121.2 | ||||
| 288 | K | 37 | Very low | 35.9 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | -164.2 | 127.2 | 101 | -118.6 | 177.4 | 179.8 | 175 | 0 | 115.5 | |||||
| 289 | D | 38.1 | Very low | 35.7 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 159.6 | 155.6 | -77 | -54.1 | 0 | 0 | 0 | 111.3 | ||||
| 290 | A | 37 | Very low | 35.6 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -144.7 | 124.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 291 | I | 32 | Very low | 35.3 | Very low | 134 Ų | 134 | 147 Ų | 147 | 69% | 0.687 | 80% | 0.803 | S | S | * | * | trans | -124.4 | 150.4 | -174.3 | -48.9 | 176.2 | 0 | 0 | 0 | 108.8 | ||||
| 292 | E | 33.8 | Very low | 35.2 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 22.5 | 120.4 | 162.2 | -66.7 | 174.1 | 114.8 | 0 | 0 | 121.4 | ||||
| 293 | E | 34.5 | Very low | 34.5 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -148.5 | 124.6 | 133.5 | -103 | 175.5 | -173.9 | 0 | 0 | 106.2 | ||||
| 294 | S | 32.1 | Very low | 33.9 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | cis | 94.9 | 142.5 | 19.5 | -157 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 295 | S | 28.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 63.4 | 118.6 | -169.4 | 70.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 296 | V | 31.2 | Very low | 34 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | 90.4 | 111.5 | 50.1 | 170.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 297 | A | 32 | Very low | 33.5 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 141.3 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 298 | L | 34.8 | Very low | 33.6 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -103 | 148.8 | -175.8 | -71.7 | 154.1 | 0 | 0 | 0 | 111.1 | ||||
| 299 | Q | 35.5 | Very low | 34 | Very low | 198 Ų | 198 | 134.4 Ų | 134.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -157 | 163.7 | 133.6 | -116.6 | 166.7 | 1 | 0 | 0 | 111.6 | ||||
| 300 | E | 31.8 | Very low | 33.6 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -126.7 | 165.6 | -155.2 | -63.3 | 164.9 | 119.7 | 0 | 0 | 111.8 | ||||
| 301 | D | 31.5 | Very low | 33.4 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | 64.1 | 157 | 169.2 | -52.7 | -27.7 | 0 | 0 | 0 | 116.4 | ||||
| 302 | D | 32.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | cis | -151.8 | -172.9 | 29 | -169.5 | 21 | 0 | 0 | 0 | 113.1 | ||||
| 303 | D | 32 | Very low | 33.3 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -62 | 165.1 | -169.3 | -116.8 | -34.6 | 0 | 0 | 0 | 119.4 | ||||
| 304 | G | 30.9 | Very low | 33.3 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | 120 | 125.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 305 | P | 49.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -103.8 | 151.6 | 170.9 | 37.7 | -31.8 | 0 | 0 | 0 | 113.6 | ||||
| 306 | L | 29.5 | Very low | 33.4 | Very low | 186 Ų | 186 | 141 Ų | 141 | 97% | 0.974 | 81% | 0.811 | S | S | * | * | trans | 164 | 164.9 | 143 | -92.6 | 162.6 | 0 | 0 | 0 | 111.4 | ||||
| 307 | G | 27.9 | Very low | 33.4 | Very low | 73 Ų | 73 | 142.6 Ų | 142.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 118.4 | 95.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 308 | A | 34.6 | Very low | 34.1 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -90.8 | 151 | 146 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 309 | P | 43.5 | Very low | 34.2 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | -128.9 | 142.1 | 111.2 | 37 | -30.1 | 0 | 0 | 0 | 110.5 | |||||
| 310 | E | 30.1 | Very low | 34.5 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | 61.6 | 102.3 | 60.2 | -69.7 | -170.4 | 160.7 | 0 | 0 | 113.7 | |||||
| 311 | Y | 33.9 | Very low | 35.3 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -135.7 | 130.3 | 143.3 | 61.4 | -95.9 | 0 | 0 | 0 | 108.9 | ||||
| 312 | D | 30.9 | Very low | 36.1 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -79.3 | 151.8 | 178.3 | -91.6 | -56.7 | 0 | 0 | 0 | 111.8 | ||||
| 313 | T | 32.7 | Very low | 36.7 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | -171.6 | 109.9 | 110.2 | 18.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 314 | V | 33.4 | Very low | 37.7 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 23.5 | 117.8 | 135.7 | -172.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 315 | S | 31.9 | Very low | 38.5 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -145.7 | 125.3 | 132.3 | -80.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 316 | E | 31.4 | Very low | 38.5 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 147 | -176.6 | -61.4 | -162.7 | 111.2 | 0 | 0 | 112.5 | ||||
| 317 | N | 30.9 | Very low | 39.3 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 91% | 0.914 | 75% | 0.746 | S | S | * | * | trans | -171.7 | 99.5 | 130.1 | -97.1 | -48.2 | 0 | 0 | 0 | 109.1 | ||||
| 318 | G | 46.4 | Very low | 40.4 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -83.1 | 119.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 319 | F | 37.7 | Very low | 41 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | trans | -150.4 | 28.4 | 167.6 | -133.6 | -86.1 | 0 | 0 | 0 | 116.8 | ||||
| 320 | L | 41.2 | Very low | 41.2 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 71% | 0.707 | 71% | 0.713 | S | S | * | * | trans | -129.6 | 26.5 | -178.2 | -74.9 | 179.3 | 0 | 0 | 0 | 116.6 | R322 | L320-R322 PolarHBondContact O-N 2.87Š| ||
| 321 | S | 49.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 58.2 | 176.2 | -163.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 322 | R | 47.2 | Very low | 42.9 | Very low | 217 Ų | 217 | 128 Ų | 128 | 82% | 0.819 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.9 | -5.8 | 179.6 | -159.4 | 161.1 | 173.9 | 133 | -2.7 | 115.9 | L320 | L320-R322 PolarHBondContact O-N 2.87Š|
| 323 | N | 45.2 | Very low | 43.5 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 42% | 0.417 | 67% | 0.672 | S | S | . | * | trans | -106.1 | -12.5 | -168.2 | -70.8 | -29 | 0 | 0 | 0 | 116.5 | P325 I326 R327 | N323-P325 VanDerWaalsContact C-CD 3.48Å; N323-I326 WeakPolarHBondContact O-CB 3.37Å; N323-I326 PolarHBondContact O-N 3.36Å; N323-R327 PolarHBondContact O-N 3.22Å | ||
| 324 | E | 52.9 | Low | 44.3 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -41.5 | -51.9 | 169.4 | -107.6 | 49.7 | -115.1 | 0 | 0 | 115.8 | I326 R327 S328 | E324-I326 PolarHBondContact O-N 2.84Å; E324-R327 PolarHBondContact O-N 3.03Å; E324-S328 WeakPolarHBondContact O-CB 3.43Å; E324-S328 PolarHBondContact O-N 3.46Å; E324-S328 VanDerWaalsContact O-N 3.15Å; E324-S328 PolarHBondContact O-OG 2.95Å |
| 325 | P | 48.4 | Very low | 45.1 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 48% | 0.481 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -72.6 | -9.4 | -177.3 | 29.6 | -36.1 | 0 | 0 | 0 | 113.5 | N323 K329 | N323-P325 VanDerWaalsContact C-CD 3.48Å; P325-K329 WeakPolarHBondContact O-CD 3.4Å; P325-K329 WeakPolarHBondContact O-CG 3.37Å |
| 326 | I | 49 | Very low | 45.7 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 51% | 0.508 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -91.1 | -50.1 | 173.2 | -54.9 | 178.8 | 0 | 0 | 0 | 109 | N323 E324 S328 K329 V330 | N323-I326 WeakPolarHBondContact O-CB 3.37Å; N323-I326 PolarHBondContact O-N 3.36Å; E324-I326 PolarHBondContact O-N 2.84Å; I326-S328 VanDerWaalsContact C-N 3.28Å; I326-S328 PolarHBondContact O-N 2.75Å; I326-K329 PolarHBondContact O-N 3.32Å; I326-V330 HydrophobicContact CG2-CG2 4.29Å; I326-V330 WeakPolarHBondContact O-CG2 3.48Å; I326-V330 PolarHBondContact O-N 3.45Å |
| 327 | R | 45.8 | Very low | 46.3 | Very low | 194 Ų | 194 | 123.2 Ų | 123.2 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.6 | -42.1 | -179.5 | -154.6 | 175.7 | -165.1 | 172.9 | 4.1 | 112.2 | N323 E324 S331 | N323-R327 PolarHBondContact O-N 3.22Å; E324-R327 PolarHBondContact O-N 3.03Å; R327-S331 PolarHBondContact O-N 2.97Å; R327-S331 PolarHBondContact O-OG 3.36Å |
| 328 | S | 51.7 | Low | 46.8 | Very low | 61 Ų | 61 | 125.1 Ų | 125.1 | 43% | 0.427 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.4 | -24.6 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 115.3 | E324 I326 S331 | E324-S328 WeakPolarHBondContact O-CB 3.43Å; E324-S328 PolarHBondContact O-N 3.46Å; E324-S328 VanDerWaalsContact O-N 3.15Å; E324-S328 PolarHBondContact O-OG 2.95Å; I326-S328 VanDerWaalsContact C-N 3.28Å; I326-S328 PolarHBondContact O-N 2.75Å; S328-S331 WeakPolarHBondContact CA-OG 3.28Å; S328-S331 PolarHBondContact O-OG 2.95Å |
| 329 | K | 46.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 129 Ų | 129 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.7 | -36.6 | 173.5 | -72.4 | 179.9 | -175.7 | 175.6 | 0 | 111.5 | P325 I326 L333 | P325-K329 WeakPolarHBondContact O-CD 3.4Å; P325-K329 WeakPolarHBondContact O-CG 3.37Å; I326-K329 PolarHBondContact O-N 3.32Å; K329-L333 WeakPolarHBondContact O-CB 3.47Å; K329-L333 PolarHBondContact O-N 3.41Å; K329-L333 VanDerWaalsContact O-N 3.09Å |
| 330 | V | 48.5 | Very low | 47 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.4 | -43.6 | 171.7 | 174 | 0 | 0 | 0 | 0 | 110.5 | I326 L333 T334 | I326-V330 HydrophobicContact CG2-CG2 4.29Å; I326-V330 WeakPolarHBondContact O-CG2 3.48Å; I326-V330 PolarHBondContact O-N 3.45Å; V330-L333 CarbonylContact O-C 3.55Å; V330-L333 WeakPolarHBondContact O-CA 3.25Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 3.28Å; V330-L333 VanDerWaalsContact O-N 3.07Å; V330-T334 HydrophobicContact CG1-CG2 4.03Å; V330-T334 WeakPolarHBondContact O-CG2 3.37Å; V330-T334 PolarHBondContact O-N 3.48Å; V330-T334 PolarHBondContact O-OG1 3.47Å |
| 331 | S | 52.5 | Low | 46.4 | Very low | 61 Ų | 61 | 132.5 Ų | 132.5 | 43% | 0.427 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.7 | -42.6 | 178.5 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | R327 S328 L333 T334 E335 | R327-S331 PolarHBondContact O-N 2.97Å; R327-S331 PolarHBondContact O-OG 3.36Å; S328-S331 WeakPolarHBondContact CA-OG 3.28Å; S328-S331 PolarHBondContact O-OG 2.95Å; S331-L333 PolarHBondContact O-N 3.26Å; S331-T334 WeakPolarHBondContact CA-OG1 3.32Å; S331-T334 PolarHBondContact O-N 2.89Å; S331-T334 PolarHBondContact O-OG1 2.85Å; S331-E335 WeakPolarHBondContact O-CB 3.44Å; S331-E335 PolarHBondContact O-N 3.04Å |
| 332 | K | 47.5 | Very low | 46 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 65% | 0.652 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.8 | -24.3 | 171.9 | -83.9 | 177.7 | 175.8 | 170.8 | 0 | 113.5 | R336 | K332-R336 WeakPolarHBondContact O-CB 3.11Å; K332-R336 WeakPolarHBondContact O-CD 3.35Å; K332-R336 VanDerWaalsContact O-CG 3.26Å; K332-R336 WeakPolarHBondContact O-CG 3.18Å |
| 333 | L | 42.7 | Very low | 45.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82 | -42.9 | 174 | -171.8 | 63.1 | 0 | 0 | 0 | 111.8 | K329 V330 S331 R336 L337 | K329-L333 WeakPolarHBondContact O-CB 3.47Å; K329-L333 PolarHBondContact O-N 3.41Å; K329-L333 VanDerWaalsContact O-N 3.09Å; V330-L333 CarbonylContact O-C 3.55Å; V330-L333 WeakPolarHBondContact O-CA 3.25Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 3.28Å; V330-L333 VanDerWaalsContact O-N 3.07Å; S331-L333 PolarHBondContact O-N 3.26Å; L333-R336 CarbonylContact O-C 3.6Å; L333-R336 PolarHBondContact O-N 3.03Å; L333-L337 HydrophobicContact CG-CD1 4.04Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.08Å; L333-L337 PolarHBondContact O-N 3.07Å |
| 334 | T | 49 | Very low | 45.6 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 47% | 0.472 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.8 | -32.5 | 178 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | V330 S331 L337 R338 | V330-T334 HydrophobicContact CG1-CG2 4.03Å; V330-T334 WeakPolarHBondContact O-CG2 3.37Å; V330-T334 PolarHBondContact O-N 3.48Å; V330-T334 PolarHBondContact O-OG1 3.47Å; S331-T334 WeakPolarHBondContact CA-OG1 3.32Å; S331-T334 PolarHBondContact O-N 2.89Å; S331-T334 PolarHBondContact O-OG1 2.85Å; T334-L337 PolarHBondContact O-N 2.85Å; T334-R338 VanDerWaalsContact O-CB 3.23Å; T334-R338 WeakPolarHBondContact O-CB 3.42Å; T334-R338 PolarHBondContact O-N 3.25Å |
| 335 | E | 50.3 | Low | 45.5 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.6 | -41.4 | 170.8 | -160.5 | -148.7 | 132.5 | 0 | 0 | 111.5 | S331 L337 R338 K339 | S331-E335 WeakPolarHBondContact O-CB 3.44Å; S331-E335 PolarHBondContact O-N 3.04Å; E335-L337 VanDerWaalsContact C-N 3.35Å; E335-R338 PolarHBondContact O-N 3.26Å; E335-K339 PolarHBondContact O-N 3.39Å; E335-K339 VanDerWaalsContact O-N 3.08Å; E335-K339 IonicContact OE1-NZ 2.6Å; E335-K339 PolarHBondContact OE1-NZ 3.3Å |
| 336 | R | 46.3 | Very low | 45.9 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.2 | -29.3 | 175.4 | -74.9 | 177.6 | 174.7 | -166.3 | -3.2 | 113.1 | K332 L333 | K332-R336 WeakPolarHBondContact O-CB 3.11Å; K332-R336 WeakPolarHBondContact O-CD 3.35Å; K332-R336 VanDerWaalsContact O-CG 3.26Å; K332-R336 WeakPolarHBondContact O-CG 3.18Å; L333-R336 CarbonylContact O-C 3.6Å; L333-R336 PolarHBondContact O-N 3.03Å |
| 337 | L | 42.1 | Very low | 47 | Very low | 100 Ų | 100 | 128 Ų | 128 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -78.8 | -36.2 | 172.2 | -73.3 | 167.5 | 0 | 0 | 0 | 112.3 | L333 T334 E335 K339 R340 | L333-L337 HydrophobicContact CG-CD1 4.04Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 WeakPolarHBondContact O-CG 3.08Å; L333-L337 PolarHBondContact O-N 3.07Å; T334-L337 PolarHBondContact O-N 2.85Å; E335-L337 VanDerWaalsContact C-N 3.35Å; L337-K339 PolarHBondContact O-N 3.28Å; L337-R340 WeakPolarHBondContact O-CA 3.44Å; L337-R340 WeakPolarHBondContact O-CB 3.45Å; L337-R340 PolarHBondContact O-N 3.19Å |
| 338 | R | 42.8 | Very low | 49 | Very low | 212 Ų | 212 | 122.4 Ų | 122.4 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62 | -30.4 | 172.4 | -165.3 | 172.9 | -177 | 109.7 | -3.9 | 111.3 | T334 E335 R340 Y341 | T334-R338 VanDerWaalsContact O-CB 3.23Å; T334-R338 WeakPolarHBondContact O-CB 3.42Å; T334-R338 PolarHBondContact O-N 3.25Å; E335-R338 PolarHBondContact O-N 3.26Å; R338-R340 PolarHBondContact O-N 3.07Å; R338-Y341 PolarHBondContact O-N 3.09Å |
| 339 | K | 42.7 | Very low | 50.8 | Low | 155 Ų | 155 | 119.6 Ų | 119.6 | 67% | 0.674 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -2.6 | 167.6 | -86.2 | 168.8 | 176.7 | 147.2 | 0 | 115.6 | E335 L337 | E335-K339 PolarHBondContact O-N 3.39Å; E335-K339 VanDerWaalsContact O-N 3.08Å; E335-K339 IonicContact OE1-NZ 2.6Å; E335-K339 PolarHBondContact OE1-NZ 3.3Å; L337-K339 PolarHBondContact O-N 3.28Å |
| 340 | R | 44.4 | Very low | 52.9 | Low | 217 Ų | 217 | 115.6 Ų | 115.6 | 82% | 0.819 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -2 | 168.1 | -68.5 | -162.2 | -177.7 | -162.6 | 3.8 | 114.2 | L337 R338 | L337-R340 WeakPolarHBondContact O-CA 3.44Å; L337-R340 WeakPolarHBondContact O-CB 3.45Å; L337-R340 PolarHBondContact O-N 3.19Å; R338-R340 PolarHBondContact O-N 3.07Å |
| 341 | Y | 30.3 | Very low | 54.8 | Low | 197 Ų | 197 | 115.7 Ų | 115.7 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -74.2 | 126.9 | 166 | -128.4 | -97.7 | 0 | 0 | 0 | 108.9 | R338 A343 | R338-Y341 PolarHBondContact O-N 3.09Å; Y341-A343 VanDerWaalsContact C-N 3.27Å; Y341-A343 PolarHBondContact O-N 2.88Å |
| 342 | P | 40.5 | Very low | 56.7 | Low | 117 Ų | 117 | 115.3 Ų | 115.3 | 76% | 0.76 | 59% | 0.589 | S | S | * | * | trans | -74 | 84.9 | 175.6 | 30.5 | -33.3 | 0 | 0 | 0 | 109.2 | T344 | P342-T344 PolarHBondContact O-N 2.9Å; P342-T344 VanDerWaalsContact O-N 3.09Å | ||
| 343 | A | 42 | Very low | 58.6 | Low | 73 Ų | 73 | 112.8 Ų | 112.8 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | trans | -57.2 | 116 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y341 | Y341-A343 VanDerWaalsContact C-N 3.27Å; Y341-A343 PolarHBondContact O-N 2.88Å | ||
| 344 | T | 41.8 | Very low | 60.6 | Low | 117 Ų | 117 | 108.7 Ų | 108.7 | 72% | 0.718 | 57% | 0.572 | S | S | * | * | trans | 40.6 | 141.2 | 157 | 44.7 | 0 | 0 | 0 | 0 | 120 | P342 M346 | P342-T344 PolarHBondContact O-N 2.9Å; P342-T344 VanDerWaalsContact O-N 3.09Å; T344-M346 PolarHBondContact O-N 3.31Å | ||
| 345 | S | 50.1 | Low | 62.4 | Low | 121 Ų | 121 | 109.6 Ų | 109.6 | 85% | 0.846 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -74.3 | 7.9 | -168.4 | 38.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 346 | M | 57.3 | Low | 64 | Low | 178 Ų | 178 | 106.5 Ų | 106.5 | 88% | 0.877 | 56% | 0.562 | S | S | * | * | trans | -123.9 | 90.1 | 175.2 | -65.3 | -164 | -61.1 | 0 | 0 | 111.1 | T344 | T344-M346 PolarHBondContact O-N 3.31Š| ||
| 347 | G | 72.4 | Confident | 65.6 | Low | 25 Ų | 25 | 100.7 Ų | 100.7 | 26% | 0.258 | 55% | 0.551 | S | S | . | * | trans | -128 | 144.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F356 | G347-F356 WeakPolarHBondContact O-CD2 3.43Å; G347-F356 WeakPolarHBondContact O-CE2 3.36Å | ||
| 348 | N | 87.3 | Confident | 67.1 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | B | Isolated β-bridge | trans | -95.1 | 166 | 172.6 | -69 | 10.9 | 0 | 0 | 0 | 110.6 | S350 S353 | N348-S350 PolarHBondContact O-N 2.9Å; N348-S353 WeakPolarHBondContact CB-O 3.38Å; N348-S353 PolarHBondContact ND2-O 2.89Å |
| 349 | C | 90.1 | Very high | 68.6 | Low | 2 Ų | 2 | 101.2 Ų | 101.2 | 1% | 0.014 | 57% | 0.574 | C | S | . | * | trans | -61 | 116.2 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | S351 C352 S353 A354 F356 C373 C376 | C349-S351 PolarHBondContact O-N 2.91Å; C349-C352 PolarHBondContact O-N 3.39Å; C349-C352 VanDerWaalsContact O-N 3.17Å; C349-C352 PolarHBondContact SG-SG 2.9Å; C349-S353 WeakPolarHBondContact O-CA 3.45Å; C349-S353 PolarHBondContact O-N 3.39Å; C349-A354 PolarHBondContact N-O 3.36Å; C349-F356 HydrophobicContact CB-CE1 4.14Å; C349-F356 HydrophobicContact CB-CZ 4.19Å; C349-C373 HydrophobicContact CB-CB 4.33Å; C349-C373 PolarHBondContact SG-N 3.41Å; C349-C376 VanDerWaalsContact SG-SG 3.68Å | ||
| 350 | S | 89.9 | Confident | 70.4 | Confident | 72 Ų | 72 | 97.5 Ų | 97.5 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | 14.5 | -175.9 | -46.3 | 0 | 0 | 0 | 0 | 116 | N348 S371 | N348-S350 PolarHBondContact O-N 2.9Å; S350-S371 PolarHBondContact N-O 3.44Å; S350-S371 PolarHBondContact OG-O 3.09Å; S350-S371 VanDerWaalsContact OG-O 3.08Å |
| 351 | S | 89.9 | Confident | 72.2 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136.1 | -17.8 | 176.4 | 152.3 | 0 | 0 | 0 | 0 | 113.9 | C349 | C349-S351 PolarHBondContact O-N 2.91Š|
| 352 | C | 90.6 | Very high | 74.8 | Confident | 54 Ų | 54 | 90.3 Ų | 90.3 | 37% | 0.365 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | 20.4 | -178.5 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | C349 A354 C376 | C349-C352 PolarHBondContact O-N 3.39Å; C349-C352 VanDerWaalsContact O-N 3.17Å; C349-C352 PolarHBondContact SG-SG 2.9Å; C352-A354 PolarHBondContact O-N 2.87Å; C352-C376 PolarHBondContact SG-SG 3.28Å |
| 353 | S | 87.3 | Confident | 77.1 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | trans | 46.5 | 9.5 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 117.4 | N348 C349 | N348-S353 WeakPolarHBondContact CB-O 3.38Å; N348-S353 PolarHBondContact ND2-O 2.89Å; C349-S353 WeakPolarHBondContact O-CA 3.45Å; C349-S353 PolarHBondContact O-N 3.39Å | ||
| 354 | A | 86.6 | Confident | 79.4 | Confident | 21 Ų | 21 | 90.1 Ų | 90.1 | 17% | 0.174 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 130.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C349 C352 K360 | C349-A354 PolarHBondContact N-O 3.36Å; C352-A354 PolarHBondContact O-N 2.87Å; A354-K360 HydrophobicContact CB-CD 4.29Å |
| 355 | V | 85.3 | Confident | 81.8 | Confident | 96 Ų | 96 | 84.6 Ų | 84.6 | 58% | 0.582 | 48% | 0.476 | S | S | * | . | B | Isolated β-bridge | trans | -56.2 | 140.8 | 171.4 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 356 | F | 85.1 | Confident | 83.7 | Confident | 40 Ų | 40 | 82 Ų | 82 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 139.2 | 170 | -59.9 | -54.2 | 0 | 0 | 0 | 110.5 | G347 C349 K360 R362 C373 | G347-F356 WeakPolarHBondContact O-CD2 3.43Å; G347-F356 WeakPolarHBondContact O-CE2 3.36Å; C349-F356 HydrophobicContact CB-CE1 4.14Å; C349-F356 HydrophobicContact CB-CZ 4.19Å; F356-K360 WeakPolarHBondContact CD1-O 3.36Å; F356-R362 HydrophobicContact CD1-CB 4.02Å; F356-R362 HydrophobicContact CD2-CB 3.88Å; F356-R362 HydrophobicContact CD2-CG 3.8Å; F356-R362 HydrophobicContact CE1-CB 4.16Å; F356-R362 HydrophobicContact CE1-CG 4.3Å; F356-R362 HydrophobicContact CE2-CB 4.06Å; F356-R362 HydrophobicContact CE2-CG 3.55Å; F356-R362 HydrophobicContact CG-CB 3.89Å; F356-R362 HydrophobicContact CG-CG 4.32Å; F356-R362 HydrophobicContact CZ-CB 4.19Å; F356-R362 HydrophobicContact CZ-CG 3.82Å; F356-C373 HydrophobicContact CE1-CB 4.17Å |
| 357 | S | 79.2 | Confident | 85.2 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | trans | -142 | 177 | 178.8 | 70.3 | 0 | 0 | 0 | 0 | 110 | L359 K360 | S357-L359 PolarHBondContact O-N 3.48Å; S357-K360 CarbonylContact O-C 3.59Å; S357-K360 VanDerWaalsContact O-C 3.3Å; S357-K360 PolarHBondContact O-N 3.29Å; S357-K360 PolarHBondContact OG-N 3.32Å | ||
| 358 | V | 73 | Confident | 85.9 | Confident | 151 Ų | 151 | 78.1 Ų | 78.1 | 92% | 0.915 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -39.4 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 359 | L | 75.6 | Confident | 85.9 | Confident | 172 Ų | 172 | 76.7 Ų | 76.7 | 90% | 0.901 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -24.2 | 176.4 | -62.6 | 175.1 | 0 | 0 | 0 | 113.6 | S357 | S357-L359 PolarHBondContact O-N 3.48Š|
| 360 | K | 80.1 | Confident | 85.9 | Confident | 77 Ų | 77 | 80.9 Ų | 80.9 | 34% | 0.335 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -116.2 | 65.8 | -171.3 | -158.9 | 164.8 | -171.1 | 166.5 | 0 | 111.6 | A354 F356 S357 R362 C373 | A354-K360 HydrophobicContact CB-CD 4.29Å; F356-K360 WeakPolarHBondContact CD1-O 3.36Å; S357-K360 CarbonylContact O-C 3.59Å; S357-K360 VanDerWaalsContact O-C 3.3Å; S357-K360 PolarHBondContact O-N 3.29Å; S357-K360 PolarHBondContact OG-N 3.32Å; K360-R362 PolarHBondContact O-N 2.94Å; K360-C373 HydrophobicContact CG-CB 4.12Å |
| 361 | K | 82.3 | Confident | 85.9 | Confident | 167 Ų | 167 | 78 Ų | 78 | 73% | 0.726 | 44% | 0.442 | S | S | * | . | trans | -51.8 | 128.5 | -178.6 | -173.7 | 168.7 | -176.2 | 171.2 | 0 | 113.1 | ||||
| 362 | R | 85.1 | Confident | 86 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 36% | 0.362 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 136.5 | 171.6 | -173.5 | 171.3 | -176.7 | 170.7 | 0.9 | 110.6 | F356 K360 S371 | F356-R362 HydrophobicContact CD1-CB 4.02Å; F356-R362 HydrophobicContact CD2-CB 3.88Å; F356-R362 HydrophobicContact CD2-CG 3.8Å; F356-R362 HydrophobicContact CE1-CB 4.16Å; F356-R362 HydrophobicContact CE1-CG 4.3Å; F356-R362 HydrophobicContact CE2-CB 4.06Å; F356-R362 HydrophobicContact CE2-CG 3.55Å; F356-R362 HydrophobicContact CG-CB 3.89Å; F356-R362 HydrophobicContact CG-CG 4.32Å; F356-R362 HydrophobicContact CZ-CB 4.19Å; F356-R362 HydrophobicContact CZ-CG 3.82Å; K360-R362 PolarHBondContact O-N 2.94Å; R362-S371 PolarHBondContact NE-OG 3.33Å; R362-S371 PolarHBondContact NH2-OG 2.93Å |
| 363 | R | 89.3 | Confident | 86.1 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 154.7 | 167.5 | -66.1 | -175.3 | -179.3 | 162.4 | -0.2 | 108.6 | S371 F372 S374 C377 | R363-S371 CarbonylContact O-C 3.56Å; R363-S371 WeakPolarHBondContact O-CA 3.46Å; R363-F372 PolarHBondContact N-O 3.04Å; R363-F372 PolarHBondContact O-N 3.3Å; R363-F372 VanDerWaalsContact O-O 3.11Å; R363-S374 PolarHBondContact NH1-O 2.84Å; R363-C377 HydrophobicContact CB-CB 4.22Å; R363-C377 WeakPolarHBondContact CD-O 3.47Å; R363-C377 PolarHBondContact NH1-O 2.91Å |
| 364 | N | 90.2 | Very high | 86.2 | Confident | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 146.1 | 171.6 | -67.9 | 70.9 | 0 | 0 | 0 | 109.6 | G369 N370 S371 | N364-G369 PolarHBondContact ND2-O 3.29Å; N364-N370 WeakPolarHBondContact CA-O 3.48Å; N364-S371 PolarHBondContact ND2-OG 3.25Å |
| 365 | C | 91.9 | Very high | 86.4 | Confident | 2 Ų | 2 | 79.4 Ų | 79.4 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | trans | -79.6 | 124.7 | 171.2 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | N367 C368 G369 N370 F372 C401 | C365-N367 PolarHBondContact O-N 3.38Å; C365-C368 VanDerWaalsContact CB-SG 3.56Å; C365-G369 WeakPolarHBondContact O-CA 3.49Å; C365-G369 PolarHBondContact O-N 2.88Å; C365-N370 PolarHBondContact N-O 3.26Å; C365-F372 HydrophobicContact CB-CD2 3.84Å; C365-F372 HydrophobicContact CB-CE2 3.58Å; C365-C401 HydrophobicContact CB-CB 4.19Å; C365-C401 PolarHBondContact SG-N 2.87Å | ||
| 366 | S | 89.8 | Confident | 86.7 | Confident | 66 Ų | 66 | 75.7 Ų | 75.7 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.4 | -178.9 | -64 | 0 | 0 | 0 | 0 | 114.4 | F399 | S366-F399 WeakPolarHBondContact CB-O 3.42Å; S366-F399 PolarHBondContact N-O 2.93Å; S366-F399 PolarHBondContact OG-O 2.92Å |
| 367 | N | 88.3 | Confident | 87 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -52.1 | 177 | -169.3 | 19.4 | 0 | 0 | 0 | 112.5 | C365 M386 V400 C404 L408 | C365-N367 PolarHBondContact O-N 3.38Å; N367-M386 HydrophobicContact CB-CE 4.15Å; N367-V400 HydrophobicContact CB-CG1 4.07Å; N367-C404 HydrophobicContact CB-CB 4.05Å; N367-L408 HydrophobicContact CB-CD1 4.18Å |
| 368 | C | 88.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 0.3 | -172.5 | 68.1 | 0 | 0 | 0 | 0 | 115.6 | C365 N370 C404 | C365-C368 VanDerWaalsContact CB-SG 3.56Å; C368-N370 PolarHBondContact O-N 3.4Å; C368-C404 VanDerWaalsContact SG-SG 3.63Å |
| 369 | G | 87.4 | Confident | 88.4 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | trans | 72.8 | -26.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N364 C365 | N364-G369 PolarHBondContact ND2-O 3.29Å; C365-G369 WeakPolarHBondContact O-CA 3.49Å; C365-G369 PolarHBondContact O-N 2.88Å | ||
| 370 | N | 89 | Confident | 89.2 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | trans | -56.6 | 157.6 | -176.5 | -71.4 | -10.5 | 0 | 0 | 0 | 113.8 | N364 C365 C368 F372 | N364-N370 WeakPolarHBondContact CA-O 3.48Å; C365-N370 PolarHBondContact N-O 3.26Å; C368-N370 PolarHBondContact O-N 3.4Å; N370-F372 HydrophobicContact CB-CE2 3.62Å; N370-F372 HydrophobicContact CB-CZ 3.87Å; N370-F372 WeakPolarHBondContact O-CD2 3.33Å; N370-F372 VanDerWaalsContact O-CE2 3.3Å; N370-F372 WeakPolarHBondContact O-CE2 3.33Å | ||
| 371 | S | 90.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129.9 | -170.5 | -66.8 | 0 | 0 | 0 | 0 | 112.9 | S350 R362 R363 N364 | S350-S371 PolarHBondContact N-O 3.44Å; S350-S371 PolarHBondContact OG-O 3.09Å; S350-S371 VanDerWaalsContact OG-O 3.08Å; R362-S371 PolarHBondContact NE-OG 3.33Å; R362-S371 PolarHBondContact NH2-OG 2.93Å; R363-S371 CarbonylContact O-C 3.56Å; R363-S371 WeakPolarHBondContact O-CA 3.46Å; N364-S371 PolarHBondContact ND2-OG 3.25Å |
| 372 | F | 91.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 157.1 | -171.7 | -63.1 | -79.6 | 0 | 0 | 0 | 111.4 | R363 C365 N370 C376 C377 C401 | R363-F372 PolarHBondContact N-O 3.04Å; R363-F372 PolarHBondContact O-N 3.3Å; R363-F372 VanDerWaalsContact O-O 3.11Å; C365-F372 HydrophobicContact CB-CD2 3.84Å; C365-F372 HydrophobicContact CB-CE2 3.58Å; N370-F372 HydrophobicContact CB-CE2 3.62Å; N370-F372 HydrophobicContact CB-CZ 3.87Å; N370-F372 WeakPolarHBondContact O-CD2 3.33Å; N370-F372 VanDerWaalsContact O-CE2 3.3Å; N370-F372 WeakPolarHBondContact O-CE2 3.33Å; F372-C376 HydrophobicContact CB-CB 4.07Å; F372-C376 HydrophobicContact CD1-CB 4.03Å; F372-C376 HydrophobicContact CG-CB 4.46Å; F372-C377 HydrophobicContact CB-CB 3.62Å; F372-C377 HydrophobicContact CD2-CB 4.43Å; F372-C377 HydrophobicContact CG-CB 4.27Å; F372-C401 HydrophobicContact CD1-CB 4.02Å; F372-C401 HydrophobicContact CD2-CB 3.75Å; F372-C401 HydrophobicContact CE1-CB 3.82Å; F372-C401 HydrophobicContact CE2-CB 3.54Å; F372-C401 HydrophobicContact CG-CB 3.99Å; F372-C401 HydrophobicContact CZ-CB 3.58Å; F372-C401 VanDerWaalsContact CZ-SG 3.6Å |
| 373 | C | 91.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 167.1 | 169.2 | 74.2 | 0 | 0 | 0 | 0 | 111.2 | C349 F356 K360 R375 C376 C377 | C349-C373 HydrophobicContact CB-CB 4.33Å; C349-C373 PolarHBondContact SG-N 3.41Å; F356-C373 HydrophobicContact CE1-CB 4.17Å; K360-C373 HydrophobicContact CG-CB 4.12Å; C373-R375 PolarHBondContact O-N 2.98Å; C373-R375 VanDerWaalsContact O-N 3.09Å; C373-C376 PolarHBondContact O-N 3.49Å; C373-C376 VanDerWaalsContact O-N 3.09Å; C373-C377 PolarHBondContact O-N 3.42Å |
| 374 | S | 89.6 | Confident | 89.3 | Confident | 50 Ų | 50 | 54 Ų | 54 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.9 | -179.7 | 54.9 | 0 | 0 | 0 | 0 | 115.5 | R363 | R363-S374 PolarHBondContact NH1-O 2.84Š|
| 375 | R | 90.1 | Very high | 88.8 | Confident | 217 Ų | 217 | 53.9 Ų | 53.9 | 82% | 0.819 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -44.7 | 174.8 | -62.7 | -173.1 | -178.1 | -175.1 | 0.4 | 112.1 | C373 S378 | C373-R375 PolarHBondContact O-N 2.98Å; C373-R375 VanDerWaalsContact O-N 3.09Å; R375-S378 WeakPolarHBondContact O-CB 3.3Å; R375-S378 PolarHBondContact O-OG 2.85Å |
| 376 | C | 91.4 | Very high | 88.2 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -23.1 | -177 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | C349 C352 F372 C373 C401 A402 | C349-C376 VanDerWaalsContact SG-SG 3.68Å; C352-C376 PolarHBondContact SG-SG 3.28Å; F372-C376 HydrophobicContact CB-CB 4.07Å; F372-C376 HydrophobicContact CD1-CB 4.03Å; F372-C376 HydrophobicContact CG-CB 4.46Å; C373-C376 PolarHBondContact O-N 3.49Å; C373-C376 VanDerWaalsContact O-N 3.09Å; C376-C401 VanDerWaalsContact O-CA 3.23Å; C376-C401 WeakPolarHBondContact O-CA 3.16Å; C376-A402 PolarHBondContact O-N 3.41Å |
| 377 | C | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 81.7 | 170.5 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | R363 F372 C373 V400 | R363-C377 HydrophobicContact CB-CB 4.22Å; R363-C377 WeakPolarHBondContact CD-O 3.47Å; R363-C377 PolarHBondContact NH1-O 2.91Å; F372-C377 HydrophobicContact CB-CB 3.62Å; F372-C377 HydrophobicContact CD2-CB 4.43Å; F372-C377 HydrophobicContact CG-CB 4.27Å; C373-C377 PolarHBondContact O-N 3.42Å; C377-V400 VanDerWaalsContact SG-C 3.59Å |
| 378 | S | 89.8 | Confident | 86.7 | Confident | 63 Ų | 63 | 55.3 Ų | 55.3 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | -29.7 | -173.2 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | R375 F399 | R375-S378 WeakPolarHBondContact O-CB 3.3Å; R375-S378 PolarHBondContact O-OG 2.85Å; S378-F399 WeakPolarHBondContact O-CD1 3.25Å; S378-F399 WeakPolarHBondContact O-CE1 3.49Å |
| 379 | S | 91.9 | Very high | 86.1 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 138.1 | 174.3 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | F399 V400 Y405 | S379-F399 WeakPolarHBondContact O-CA 3.42Å; S379-V400 PolarHBondContact O-N 3.32Å; S379-Y405 VanDerWaalsContact CB-CG 3.5Å |
| 380 | K | 91.6 | Very high | 85.6 | Confident | 120 Ų | 120 | 59.6 Ų | 59.6 | 52% | 0.522 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 144.3 | 170.5 | -70 | -175.6 | 176 | -172.1 | 0 | 110.5 | V398 F399 | K380-V398 WeakPolarHBondContact CA-O 3.33Å; K380-F399 HydrophobicContact CD-CE1 4.33Å; K380-F399 HydrophobicContact CD-CZ 4.38Å; K380-F399 VanDerWaalsContact CE-CZ 3.42Å; K380-F399 HydrophobicContact CG-CD1 3.85Å; K380-F399 HydrophobicContact CG-CE1 3.62Å; K380-F399 HydrophobicContact CG-CG 4.49Å; K380-F399 HydrophobicContact CG-CZ 4.09Å |
| 381 | V | 89.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.2 | 167.2 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | M386 T397 V398 V400 Y405 L408 | V381-M386 HydrophobicContact CG2-CE 3.64Å; V381-T397 CarbonylContact O-C 3.58Å; V381-T397 VanDerWaalsContact O-CA 3.32Å; V381-T397 WeakPolarHBondContact O-CA 3.12Å; V381-V398 HydrophobicContact CG2-CG2 4.14Å; V381-V398 PolarHBondContact N-O 2.92Å; V381-V398 PolarHBondContact O-N 3.29Å; V381-V400 HydrophobicContact CG1-CG2 3.91Å; V381-V400 HydrophobicContact CG2-CG1 3.87Å; V381-V400 HydrophobicContact CG2-CG2 4.05Å; V381-Y405 HydrophobicContact CG1-CD2 3.69Å; V381-Y405 HydrophobicContact CG1-CE2 4.11Å; V381-L408 HydrophobicContact CG2-CD1 4.19Å |
| 382 | P | 86.3 | Confident | 83.8 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 25% | 0.253 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 148.7 | 165.6 | -23.9 | 34.2 | 0 | 0 | 0 | 111.9 | S384 F385 E396 T397 | P382-S384 PolarHBondContact O-N 2.99Å; P382-F385 HydrophobicContact CB-CD2 4.04Å; P382-F385 HydrophobicContact CB-CE2 4.29Å; P382-F385 HydrophobicContact CG-CD2 4.11Å; P382-F385 HydrophobicContact CG-CE2 3.95Å; P382-F385 PolarHBondContact O-N 2.93Å; P382-E396 CarbonylContact C-O 3.58Å; P382-E396 WeakPolarHBondContact CA-O 3.47Å; P382-T397 HydrophobicContact CG-CG2 4.38Å |
| 383 | R | 83.3 | Confident | 82.7 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -64.5 | -23.3 | 177.7 | -99.3 | -177.3 | 166 | 179.9 | -7.1 | 113.8 | F385 M386 A388 A393 E396 V398 | R383-F385 PolarHBondContact O-N 2.95Å; R383-M386 WeakPolarHBondContact O-CB 3.49Å; R383-M386 PolarHBondContact O-N 3.02Å; R383-A388 HydrophobicContact CB-CB 4.46Å; R383-A393 HydrophobicContact CB-CB 3.86Å; R383-A393 WeakPolarHBondContact CB-O 3.41Å; R383-A393 PolarHBondContact N-O 2.95Å; R383-A393 VanDerWaalsContact N-O 3.14Å; R383-E396 VanDerWaalsContact CD-OE2 3.28Å; R383-E396 WeakPolarHBondContact CD-OE2 3.28Å; R383-E396 IonicContact CZ-OE1 2.81Å; R383-E396 IonicContact CZ-OE2 2.68Å; R383-E396 PolarHBondContact N-O 3.23Å; R383-E396 IonicContact NE-OE1 3.54Å; R383-E396 PolarHBondContact NE-OE1 2.88Å; R383-E396 IonicContact NE-OE2 2.8Å; R383-E396 IonicContact NH1-OE1 3.79Å; R383-E396 PolarHBondContact NH1-OE1 3.42Å; R383-E396 IonicContact NH1-OE2 2.65Å; R383-E396 PolarHBondContact NH1-OE2 3.33Å; R383-E396 IonicContact NH2-OE1 2.79Å; R383-V398 HydrophobicContact CG-CG1 3.83Å; R383-V398 HydrophobicContact CG-CG2 4.03Å |
| 384 | S | 79.4 | Confident | 81.5 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -53.6 | -36.8 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | P382 M386 G387 A388 A393 | P382-S384 PolarHBondContact O-N 2.99Å; S384-M386 PolarHBondContact O-N 2.92Å; S384-M386 VanDerWaalsContact O-N 3.07Å; S384-G387 PolarHBondContact O-N 3.38Å; S384-A388 WeakPolarHBondContact CA-O 3.28Å; S384-A393 PolarHBondContact N-O 3.21Å |
| 385 | F | 80.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 39% | 0.386 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -63.6 | -11.8 | 175.6 | -71.7 | -87.9 | 0 | 0 | 0 | 114.1 | P382 R383 L408 | P382-F385 HydrophobicContact CB-CD2 4.04Å; P382-F385 HydrophobicContact CB-CE2 4.29Å; P382-F385 HydrophobicContact CG-CD2 4.11Å; P382-F385 HydrophobicContact CG-CE2 3.95Å; P382-F385 PolarHBondContact O-N 2.93Å; R383-F385 PolarHBondContact O-N 2.95Å; F385-L408 WeakPolarHBondContact CD1-O 3.26Å; F385-L408 WeakPolarHBondContact CE1-O 3.19Å; F385-L408 WeakPolarHBondContact O-CD2 3.43Å |
| 386 | M | 78.7 | Confident | 80.6 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -99.6 | 16.1 | 175 | -56.9 | -176.8 | -172.9 | 0 | 0 | 112.5 | N367 V381 R383 S384 V398 V400 L408 | N367-M386 HydrophobicContact CB-CE 4.15Å; V381-M386 HydrophobicContact CG2-CE 3.64Å; R383-M386 WeakPolarHBondContact O-CB 3.49Å; R383-M386 PolarHBondContact O-N 3.02Å; S384-M386 PolarHBondContact O-N 2.92Å; S384-M386 VanDerWaalsContact O-N 3.07Å; M386-V398 HydrophobicContact CE-CG2 3.45Å; M386-V398 VanDerWaalsContact CE-CG2 3.45Å; M386-V398 HydrophobicContact SD-CG2 3.99Å; M386-V400 HydrophobicContact CE-CG1 3.46Å; M386-V400 VanDerWaalsContact CE-CG1 3.46Å; M386-L408 HydrophobicContact CE-CD1 4.14Å |
| 387 | G | 73.6 | Confident | 80.5 | Confident | 64 Ų | 64 | 75.5 Ų | 75.5 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 11.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S384 T389 | S384-G387 PolarHBondContact O-N 3.38Å; G387-T389 PolarHBondContact O-N 3.03Å |
| 388 | A | 74.3 | Confident | 80.3 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | trans | -82.2 | 113.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R383 S384 A393 | R383-A388 HydrophobicContact CB-CB 4.46Å; S384-A388 WeakPolarHBondContact CA-O 3.28Å; A388-A393 HydrophobicContact CB-CB 3.57Å | ||
| 389 | T | 74.6 | Confident | 80.5 | Confident | 140 Ų | 140 | 77.1 Ų | 77.1 | 86% | 0.859 | 41% | 0.411 | S | S | * | . | trans | -90.8 | -7.2 | -173.5 | 50.6 | 0 | 0 | 0 | 0 | 115.2 | G387 | G387-T389 PolarHBondContact O-N 3.03Š| ||
| 390 | A | 77.8 | Confident | 80.6 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -64.9 | 142.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E392 A393 | A390-E392 PolarHBondContact O-N 2.99Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.23Å; A390-A393 PolarHBondContact O-N 3.47Å |
| 391 | P | 70.3 | Confident | 80.6 | Confident | 83 Ų | 83 | 70.4 Ų | 70.4 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -61.9 | -28.2 | -178.4 | 22.3 | -30 | 0 | 0 | 0 | 113.2 | A393 Q394 | P391-A393 VanDerWaalsContact C-N 3.28Å; P391-A393 PolarHBondContact O-N 2.92Å; P391-Q394 WeakPolarHBondContact O-CB 3.49Å; P391-Q394 PolarHBondContact O-N 3.49Å |
| 392 | E | 71 | Confident | 80.6 | Confident | 124 Ų | 124 | 72.5 Ų | 72.5 | 58% | 0.579 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -63.9 | -33.5 | 173.8 | -64.3 | 64.5 | -138.2 | 0 | 0 | 111.8 | A390 Q394 R395 E396 | A390-E392 PolarHBondContact O-N 2.99Å; E392-Q394 PolarHBondContact O-N 3.13Å; E392-R395 PolarHBondContact O-N 3.03Å; E392-E396 PolarHBondContact O-N 3.12Å |
| 393 | A | 69.9 | Low | 80.8 | Confident | 7 Ų | 7 | 74.3 Ų | 74.3 | 6% | 0.058 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -70.4 | -13.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | R383 S384 A388 A390 P391 | R383-A393 HydrophobicContact CB-CB 3.86Å; R383-A393 WeakPolarHBondContact CB-O 3.41Å; R383-A393 PolarHBondContact N-O 2.95Å; R383-A393 VanDerWaalsContact N-O 3.14Å; S384-A393 PolarHBondContact N-O 3.21Å; A388-A393 HydrophobicContact CB-CB 3.57Å; A390-A393 VanDerWaalsContact O-CB 3.29Å; A390-A393 WeakPolarHBondContact O-CB 3.23Å; A390-A393 PolarHBondContact O-N 3.47Å; P391-A393 VanDerWaalsContact C-N 3.28Å; P391-A393 PolarHBondContact O-N 2.92Å |
| 394 | Q | 66.4 | Low | 81.2 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -77.3 | -24.4 | 168.8 | -57.3 | -175.4 | 0.3 | 0 | 0 | 112.2 | P391 E392 | P391-Q394 WeakPolarHBondContact O-CB 3.49Å; P391-Q394 PolarHBondContact O-N 3.49Å; E392-Q394 PolarHBondContact O-N 3.13Å |
| 395 | R | 76.9 | Confident | 81.8 | Confident | 225 Ų | 225 | 71.5 Ų | 71.5 | 85% | 0.849 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -33.7 | -178.8 | -59.7 | -178.3 | 179.7 | -177.6 | 0 | 112.6 | E392 T397 | E392-R395 PolarHBondContact O-N 3.03Å; R395-T397 PolarHBondContact O-N 3.34Å |
| 396 | E | 83.4 | Confident | 82.2 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | trans | -75.3 | 123.3 | 178.8 | -165.4 | -174.2 | 163.1 | 0 | 0 | 111.6 | P382 R383 E392 | P382-E396 CarbonylContact C-O 3.58Å; P382-E396 WeakPolarHBondContact CA-O 3.47Å; R383-E396 VanDerWaalsContact CD-OE2 3.28Å; R383-E396 WeakPolarHBondContact CD-OE2 3.28Å; R383-E396 IonicContact CZ-OE1 2.81Å; R383-E396 IonicContact CZ-OE2 2.68Å; R383-E396 PolarHBondContact N-O 3.23Å; R383-E396 IonicContact NE-OE1 3.54Å; R383-E396 PolarHBondContact NE-OE1 2.88Å; R383-E396 IonicContact NE-OE2 2.8Å; R383-E396 IonicContact NH1-OE1 3.79Å; R383-E396 PolarHBondContact NH1-OE1 3.42Å; R383-E396 IonicContact NH1-OE2 2.65Å; R383-E396 PolarHBondContact NH1-OE2 3.33Å; R383-E396 IonicContact NH2-OE1 2.79Å; E392-E396 PolarHBondContact O-N 3.12Å | ||
| 397 | T | 88.1 | Confident | 82.7 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135 | 175.9 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | V381 P382 R395 | V381-T397 CarbonylContact O-C 3.58Å; V381-T397 VanDerWaalsContact O-CA 3.32Å; V381-T397 WeakPolarHBondContact O-CA 3.12Å; P382-T397 HydrophobicContact CG-CG2 4.38Å; R395-T397 PolarHBondContact O-N 3.34Å |
| 398 | V | 90.6 | Very high | 83.3 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 153 | -177.2 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | K380 V381 R383 M386 | K380-V398 WeakPolarHBondContact CA-O 3.33Å; V381-V398 HydrophobicContact CG2-CG2 4.14Å; V381-V398 PolarHBondContact N-O 2.92Å; V381-V398 PolarHBondContact O-N 3.29Å; R383-V398 HydrophobicContact CG-CG1 3.83Å; R383-V398 HydrophobicContact CG-CG2 4.03Å; M386-V398 HydrophobicContact CE-CG2 3.45Å; M386-V398 VanDerWaalsContact CE-CG2 3.45Å; M386-V398 HydrophobicContact SD-CG2 3.99Å |
| 399 | F | 92.8 | Very high | 83.6 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135.7 | -178.5 | -75 | -77.9 | 0 | 0 | 0 | 112.2 | S366 S378 S379 K380 | S366-F399 WeakPolarHBondContact CB-O 3.42Å; S366-F399 PolarHBondContact N-O 2.93Å; S366-F399 PolarHBondContact OG-O 2.92Å; S378-F399 WeakPolarHBondContact O-CD1 3.25Å; S378-F399 WeakPolarHBondContact O-CE1 3.49Å; S379-F399 WeakPolarHBondContact O-CA 3.42Å; K380-F399 HydrophobicContact CD-CE1 4.33Å; K380-F399 HydrophobicContact CD-CZ 4.38Å; K380-F399 VanDerWaalsContact CE-CZ 3.42Å; K380-F399 HydrophobicContact CG-CD1 3.85Å; K380-F399 HydrophobicContact CG-CE1 3.62Å; K380-F399 HydrophobicContact CG-CG 4.49Å; K380-F399 HydrophobicContact CG-CZ 4.09Å |
| 400 | V | 93.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 158 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 111 | N367 C377 S379 V381 M386 C404 Y405 L408 | N367-V400 HydrophobicContact CB-CG1 4.07Å; C377-V400 VanDerWaalsContact SG-C 3.59Å; S379-V400 PolarHBondContact O-N 3.32Å; V381-V400 HydrophobicContact CG1-CG2 3.91Å; V381-V400 HydrophobicContact CG2-CG1 3.87Å; V381-V400 HydrophobicContact CG2-CG2 4.05Å; M386-V400 HydrophobicContact CE-CG1 3.46Å; M386-V400 VanDerWaalsContact CE-CG1 3.46Å; V400-C404 HydrophobicContact CB-CB 4.15Å; V400-Y405 HydrophobicContact CG2-CD2 4.39Å; V400-L408 HydrophobicContact CG1-CD1 4.35Å |
| 401 | C | 93.4 | Very high | 82.7 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 158.7 | 172.1 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | C365 F372 C376 A403 C404 Y405 | C365-C401 HydrophobicContact CB-CB 4.19Å; C365-C401 PolarHBondContact SG-N 2.87Å; F372-C401 HydrophobicContact CD1-CB 4.02Å; F372-C401 HydrophobicContact CD2-CB 3.75Å; F372-C401 HydrophobicContact CE1-CB 3.82Å; F372-C401 HydrophobicContact CE2-CB 3.54Å; F372-C401 HydrophobicContact CG-CB 3.99Å; F372-C401 HydrophobicContact CZ-CB 3.58Å; F372-C401 VanDerWaalsContact CZ-SG 3.6Å; C376-C401 VanDerWaalsContact O-CA 3.23Å; C376-C401 WeakPolarHBondContact O-CA 3.16Å; C401-A403 VanDerWaalsContact C-N 3.3Å; C401-A403 PolarHBondContact O-N 2.93Å; C401-C404 PolarHBondContact O-N 3.2Å; C401-C404 VanDerWaalsContact O-N 3.08Å; C401-C404 VanDerWaalsContact SG-SG 3.61Å; C401-Y405 PolarHBondContact O-N 2.93Å |
| 402 | A | 89.5 | Confident | 83.4 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -52.7 | -42.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C376 Y405 S406 | C376-A402 PolarHBondContact O-N 3.41Å; A402-Y405 WeakPolarHBondContact O-CB 3.35Å; A402-Y405 PolarHBondContact O-N 3.13Å; A402-S406 PolarHBondContact O-N 2.59Å; A402-S406 PolarHBondContact O-OG 3.32Å |
| 403 | A | 90.5 | Very high | 84 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 63% | 0.628 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C401 Y405 S406 F407 | C401-A403 VanDerWaalsContact C-N 3.3Å; C401-A403 PolarHBondContact O-N 2.93Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; A403-S406 PolarHBondContact O-N 2.8Å; A403-F407 PolarHBondContact O-N 3.04Å; A403-F407 VanDerWaalsContact O-N 3.13Å |
| 404 | C | 90.9 | Very high | 84.8 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.3 | -31.6 | 175 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | N367 C368 V400 C401 L408 | N367-C404 HydrophobicContact CB-CB 4.05Å; C368-C404 VanDerWaalsContact SG-SG 3.63Å; V400-C404 HydrophobicContact CB-CB 4.15Å; C401-C404 PolarHBondContact O-N 3.2Å; C401-C404 VanDerWaalsContact O-N 3.08Å; C401-C404 VanDerWaalsContact SG-SG 3.61Å; C404-L408 VanDerWaalsContact O-CB 3.3Å; C404-L408 WeakPolarHBondContact O-CB 3.25Å; C404-L408 WeakPolarHBondContact O-CG 3.5Å; C404-L408 PolarHBondContact O-N 3.03Å |
| 405 | Y | 91.1 | Very high | 85.9 | Confident | 79 Ų | 79 | 82 Ų | 82 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64 | -48.5 | 174.3 | 178.8 | -113 | 0 | 0 | 0 | 111.4 | S379 V381 V400 C401 A402 A403 F407 L408 K409 | S379-Y405 VanDerWaalsContact CB-CG 3.5Å; V381-Y405 HydrophobicContact CG1-CD2 3.69Å; V381-Y405 HydrophobicContact CG1-CE2 4.11Å; V400-Y405 HydrophobicContact CG2-CD2 4.39Å; C401-Y405 PolarHBondContact O-N 2.93Å; A402-Y405 WeakPolarHBondContact O-CB 3.35Å; A402-Y405 PolarHBondContact O-N 3.13Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; Y405-F407 VanDerWaalsContact C-N 3.35Å; Y405-F407 PolarHBondContact O-N 2.64Å; Y405-L408 PolarHBondContact O-N 3.32Å; Y405-K409 HydrophobicContact CE1-CD 4.46Å; Y405-K409 WeakPolarHBondContact O-CB 3.2Å; Y405-K409 PolarHBondContact O-N 3.25Å; Y405-K409 VanDerWaalsContact O-N 3.16Å |
| 406 | S | 89.6 | Confident | 86.5 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | A402 A403 K409 L410 | A402-S406 PolarHBondContact O-N 2.59Å; A402-S406 PolarHBondContact O-OG 3.32Å; A403-S406 PolarHBondContact O-N 2.8Å; S406-K409 PolarHBondContact O-N 3.42Å; S406-L410 WeakPolarHBondContact O-CD1 3.21Å; S406-L410 WeakPolarHBondContact O-CG 3.5Å; S406-L410 PolarHBondContact O-N 3.24Å |
| 407 | F | 88.6 | Confident | 86.7 | Confident | 131 Ų | 131 | 72.3 Ų | 72.3 | 58% | 0.575 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.5 | -51.8 | 176.3 | -177.2 | -88.7 | 0 | 0 | 0 | 112.2 | A403 Y405 K409 L410 | A403-F407 PolarHBondContact O-N 3.04Å; A403-F407 VanDerWaalsContact O-N 3.13Å; Y405-F407 VanDerWaalsContact C-N 3.35Å; Y405-F407 PolarHBondContact O-N 2.64Å; F407-K409 PolarHBondContact O-N 2.66Å; F407-K409 VanDerWaalsContact O-N 3.07Å; F407-L410 PolarHBondContact O-N 3.33Å; F407-L410 VanDerWaalsContact O-N 3.14Å |
| 408 | L | 86.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 72.5 Ų | 72.5 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -0.2 | -179.4 | -66.6 | 175.7 | 0 | 0 | 0 | 114.2 | N367 V381 F385 M386 V400 C404 Y405 | N367-L408 HydrophobicContact CB-CD1 4.18Å; V381-L408 HydrophobicContact CG2-CD1 4.19Å; F385-L408 WeakPolarHBondContact CD1-O 3.26Å; F385-L408 WeakPolarHBondContact CE1-O 3.19Å; F385-L408 WeakPolarHBondContact O-CD2 3.43Å; M386-L408 HydrophobicContact CE-CD1 4.14Å; V400-L408 HydrophobicContact CG1-CD1 4.35Å; C404-L408 VanDerWaalsContact O-CB 3.3Å; C404-L408 WeakPolarHBondContact O-CB 3.25Å; C404-L408 WeakPolarHBondContact O-CG 3.5Å; C404-L408 PolarHBondContact O-N 3.03Å; Y405-L408 PolarHBondContact O-N 3.32Å |
| 409 | K | 79.6 | Confident | 86.2 | Confident | 144 Ų | 144 | 76.8 Ų | 76.8 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 2.2 | 175.4 | -144.1 | -165.7 | -174.6 | -150 | 0 | 113.2 | Y405 S406 F407 | Y405-K409 HydrophobicContact CE1-CD 4.46Å; Y405-K409 WeakPolarHBondContact O-CB 3.2Å; Y405-K409 PolarHBondContact O-N 3.25Å; Y405-K409 VanDerWaalsContact O-N 3.16Å; S406-K409 PolarHBondContact O-N 3.42Å; F407-K409 PolarHBondContact O-N 2.66Å; F407-K409 VanDerWaalsContact O-N 3.07Å |
| 410 | L | 74 | Confident | 85.7 | Confident | 161 Ų | 161 | 76.5 Ų | 76.5 | 84% | 0.843 | 41% | 0.409 | S | S | * | . | trans | -108.9 | 7.3 | 172.9 | -70.9 | 167.7 | 0 | 0 | 0 | 111.7 | S406 F407 | S406-L410 WeakPolarHBondContact O-CD1 3.21Å; S406-L410 WeakPolarHBondContact O-CG 3.5Å; S406-L410 PolarHBondContact O-N 3.24Å; F407-L410 PolarHBondContact O-N 3.33Å; F407-L410 VanDerWaalsContact O-N 3.14Å | ||
| 411 | Q | 61.4 | Low | 85 | Confident | 174 Ų | 174 | 83.5 Ų | 83.5 | 81% | 0.813 | 45% | 0.446 | S | S | * | . | trans | -127.9 | 0 | -178.5 | -176.1 | 179.3 | -1.5 | 0 | 0 | 109.3 |
Retrieved 411 of 411 residues in 714.3 ms
(Link to these results)