| 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 | 33.9 | Very low | 32.4 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 100% | 1.158 | 84% | 0.836 | S | S | * | * | 0 | 93.4 | 0 | -81.2 | 178.2 | 169.4 | 0 | 0 | 108.7 | |||||
| 2 | F | 35.7 | Very low | 32 | Very low | 220 Ų | 220 | 148.9 Ų | 148.9 | 97% | 0.965 | 82% | 0.821 | S | S | * | * | trans | -164.1 | 101.3 | 157.5 | -82.8 | -72.7 | 0 | 0 | 0 | 101.1 | ||||
| 3 | G | 30.4 | Very low | 32.3 | Very low | 77 Ų | 77 | 148.7 Ų | 148.7 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | cis | 102.2 | 83.7 | 44.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 4 | G | 26.5 | Very low | 32.2 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -70.7 | 159.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | L | 35.4 | Very low | 32 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -147.8 | 142.6 | 157.7 | -102 | 143.1 | 0 | 0 | 0 | 109.1 | ||||
| 6 | P | 42 | Very low | 31.8 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 61% | 0.61 | 81% | 0.81 | S | S | * | * | trans | -97.7 | 163.2 | -179 | 38.3 | -28.3 | 0 | 0 | 0 | 111.2 | ||||
| 7 | M | 36.3 | Very low | 31.7 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -146.7 | 107.4 | 151.7 | -86.5 | -58.4 | 179.5 | 0 | 0 | 108.5 | ||||
| 8 | D | 27.6 | Very low | 31.5 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -63.8 | 136.6 | 156.8 | -61.1 | -60.4 | 0 | 0 | 0 | 109.3 | ||||
| 9 | Q | 33.6 | Very low | 31.5 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -154 | 101.7 | 146.9 | -155 | 154.2 | 8 | 0 | 0 | 111 | ||||
| 10 | E | 26.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | 33.9 | 116.3 | 131 | -70 | 175 | 114.7 | 0 | 0 | 118.6 | ||||
| 11 | Q | 28 | Very low | 31.3 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | 98.3 | 124.2 | 73.9 | -163.2 | 166.3 | -9.6 | 0 | 0 | 112.4 | |||||
| 12 | S | 28 | Very low | 31.1 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | 62.5 | 98 | 155 | 60.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 13 | V | 36.3 | Very low | 31 | Very low | 146 Ų | 146 | 138 Ų | 138 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | -129.8 | 77.9 | 129.8 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 14 | S | 29.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 89 | 161.6 | -55.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 15 | A | 29.6 | Very low | 31.6 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | trans | 165.2 | 110.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 16 | L | 28.6 | Very low | 32 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | 155.1 | 132.2 | 101.8 | -147.4 | 82.3 | 0 | 0 | 0 | 110.2 | |||||
| 17 | R | 29.9 | Very low | 32.3 | Very low | 211 Ų | 211 | 140 Ų | 140 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | 80.6 | 91.7 | 164.6 | -75.9 | 178.2 | -174.1 | 150.7 | 3.1 | 118.6 | M19 | R17-M19 PolarHBondContact O-N 2.9Š| ||
| 18 | S | 28 | Very low | 33.1 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | -3.7 | 108 | 113.2 | 40 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 19 | M | 33 | Very low | 34.3 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | trans | -139.2 | 86.8 | 141.1 | -106.7 | 177.4 | 117.3 | 0 | 0 | 106.6 | R17 S21 | R17-M19 PolarHBondContact O-N 2.9Å; M19-S21 PolarHBondContact O-N 3.5Å | ||
| 20 | D | 28.4 | Very low | 35.4 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -61 | 108 | 161.6 | -73.1 | -48.9 | 0 | 0 | 0 | 108.2 | ||||
| 21 | S | 29.1 | Very low | 36.9 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 175.1 | 130.2 | 137.3 | 37.4 | 0 | 0 | 0 | 0 | 111.5 | M19 | M19-S21 PolarHBondContact O-N 3.5Š| ||
| 22 | F | 29.5 | Very low | 38.6 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | 76.2 | 85.9 | 152.5 | -107.1 | -99.1 | 0 | 0 | 0 | 119 | ||||
| 23 | S | 34.2 | Very low | 40.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -166 | 101.7 | 139.2 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 24 | T | 31.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | trans | 18.3 | 111.5 | 149 | 44 | 0 | 0 | 0 | 0 | 119.8 | T26 | T24-T26 PolarHBondContact O-N 2.96Š| ||
| 25 | P | 38.5 | Very low | 43.4 | Very low | 115 Ų | 115 | 117 Ų | 117 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | trans | -91.8 | 79.6 | 165.7 | 35.6 | -28.4 | 0 | 0 | 0 | 110.7 | ||||
| 26 | T | 43.3 | Very low | 45.2 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 55% | 0.546 | 65% | 0.654 | S | S | . | * | trans | -116.7 | -10 | 169.4 | 39.5 | 0 | 0 | 0 | 0 | 113.7 | T24 | T24-T26 PolarHBondContact O-N 2.96Š| ||
| 27 | N | 49.2 | Very low | 47.1 | Very low | 137 Ų | 137 | 117.1 Ų | 117.1 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.9 | -25.2 | -179.3 | -78 | -8.4 | 0 | 0 | 0 | 114.4 | F31 | N27-F31 PolarHBondContact O-N 3.23Å |
| 28 | S | 51.2 | Low | 49.1 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.3 | -38 | -176 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | L32 | S28-L32 WeakPolarHBondContact O-CB 3.45Å; S28-L32 PolarHBondContact O-N 3.18Å |
| 29 | S | 54.2 | Low | 51.2 | Low | 67 Ų | 67 | 112.2 Ų | 112.2 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.7 | -42 | 179.6 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | L32 A33 | S29-L32 PolarHBondContact O-N 3.38Å; S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 2.98Å |
| 30 | N | 56.2 | Low | 53 | Low | 113 Ų | 113 | 105.8 Ų | 105.8 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.7 | -38 | -179.1 | -68.8 | -8.3 | 0 | 0 | 0 | 111.6 | A34 | N30-A34 VanDerWaalsContact O-CB 3.28Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.83Å |
| 31 | F | 58.8 | Low | 55 | Low | 140 Ų | 140 | 104.6 Ų | 104.6 | 61% | 0.614 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.8 | -41.1 | 175.8 | -171.1 | -103.5 | 0 | 0 | 0 | 112 | N27 A34 N35 | N27-F31 PolarHBondContact O-N 3.23Å; F31-A34 PolarHBondContact O-N 3.39Å; F31-N35 WeakPolarHBondContact CD1-ND2 3.11Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.41Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.38Å; F31-N35 WeakPolarHBondContact O-CB 3.29Å; F31-N35 PolarHBondContact O-N 3.09Å |
| 32 | L | 62.8 | Low | 57.3 | Low | 130 Ų | 130 | 103.7 Ų | 103.7 | 68% | 0.681 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.3 | -45.6 | 176.2 | -166.2 | 91.5 | 0 | 0 | 0 | 111.5 | S28 S29 N35 H36 | S28-L32 WeakPolarHBondContact O-CB 3.45Å; S28-L32 PolarHBondContact O-N 3.18Å; S29-L32 PolarHBondContact O-N 3.38Å; L32-N35 PolarHBondContact O-N 3.24Å; L32-H36 WeakPolarHBondContact O-CB 3.4Å; L32-H36 PolarHBondContact O-N 3.45Å |
| 33 | A | 60.7 | Low | 59.4 | Low | 43 Ų | 43 | 96.1 Ų | 96.1 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S29 N35 H36 H37 | S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 2.98Å; A33-N35 PolarHBondContact O-N 3Å; A33-H36 PolarHBondContact O-N 3.43Å; A33-H37 PolarHBondContact O-CD2 3.31Å; A33-H37 PolarHBondContact O-N 3.31Å |
| 34 | A | 65.3 | Low | 61.3 | Low | 53 Ų | 53 | 94.5 Ų | 94.5 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N30 F31 H36 H37 Q38 | N30-A34 VanDerWaalsContact O-CB 3.28Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.83Å; F31-A34 PolarHBondContact O-N 3.39Å; A34-H36 VanDerWaalsContact C-N 3.35Å; A34-H36 PolarHBondContact O-N 3.27Å; A34-H37 PolarHBondContact O-N 3.23Å; A34-Q38 WeakPolarHBondContact O-CB 3.42Å; A34-Q38 PolarHBondContact O-N 3.45Å |
| 35 | N | 69.7 | Low | 63.3 | Low | 66 Ų | 66 | 92.3 Ų | 92.3 | 35% | 0.353 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 175.3 | -77.8 | -16 | 0 | 0 | 0 | 112.2 | F31 L32 A33 Q38 E39 | F31-N35 WeakPolarHBondContact CD1-ND2 3.11Å; F31-N35 WeakPolarHBondContact CE1-ND2 3.41Å; F31-N35 WeakPolarHBondContact CZ-ND2 3.38Å; F31-N35 WeakPolarHBondContact O-CB 3.29Å; F31-N35 PolarHBondContact O-N 3.09Å; L32-N35 PolarHBondContact O-N 3.24Å; A33-N35 PolarHBondContact O-N 3Å; N35-Q38 PolarHBondContact O-N 2.97Å; N35-E39 PolarHBondContact O-N 3.48Å |
| 36 | H | 67.3 | Low | 65.1 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 177.8 | -169.2 | 62.9 | 0 | 0 | 0 | 111.9 | L32 A33 A34 Q38 E39 L40 | L32-H36 WeakPolarHBondContact O-CB 3.4Å; L32-H36 PolarHBondContact O-N 3.45Å; A33-H36 PolarHBondContact O-N 3.43Å; A34-H36 VanDerWaalsContact C-N 3.35Å; A34-H36 PolarHBondContact O-N 3.27Å; H36-Q38 VanDerWaalsContact C-N 3.33Å; H36-Q38 PolarHBondContact O-N 2.92Å; H36-E39 PolarHBondContact O-N 3.27Å; H36-L40 WeakPolarHBondContact O-CG 3.42Å; H36-L40 PolarHBondContact O-N 2.72Å |
| 37 | H | 68.2 | Low | 66.5 | Low | 130 Ų | 130 | 90.3 Ų | 90.3 | 60% | 0.602 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 174.6 | -73.2 | -63 | 0 | 0 | 0 | 112.4 | A33 A34 L40 H41 | A33-H37 PolarHBondContact O-CD2 3.31Å; A33-H37 PolarHBondContact O-N 3.31Å; A34-H37 PolarHBondContact O-N 3.23Å; H37-L40 PolarHBondContact O-N 2.89Å; H37-H41 WeakPolarHBondContact O-CB 3.33Å; H37-H41 PolarHBondContact O-N 2.86Å |
| 38 | Q | 71.9 | Confident | 67.5 | Low | 127 Ų | 127 | 87.1 Ų | 87.1 | 59% | 0.593 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 178.5 | -170 | 174.6 | -3.7 | 0 | 0 | 112 | A34 N35 H36 K42 | A34-Q38 WeakPolarHBondContact O-CB 3.42Å; A34-Q38 PolarHBondContact O-N 3.45Å; N35-Q38 PolarHBondContact O-N 2.97Å; H36-Q38 VanDerWaalsContact C-N 3.33Å; H36-Q38 PolarHBondContact O-N 2.92Å; Q38-K42 VanDerWaalsContact O-CB 3.25Å; Q38-K42 WeakPolarHBondContact O-CB 3.46Å; Q38-K42 PolarHBondContact O-N 2.96Å |
| 39 | E | 73 | Confident | 68.6 | Low | 86 Ų | 86 | 91 Ų | 91 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 176.2 | -74.9 | -60.9 | 138.3 | 0 | 0 | 112 | N35 H36 H41 K42 I43 | N35-E39 PolarHBondContact O-N 3.48Å; H36-E39 PolarHBondContact O-N 3.27Å; E39-H41 PolarHBondContact O-N 3.34Å; E39-K42 WeakPolarHBondContact O-CB 3.29Å; E39-K42 PolarHBondContact O-N 2.93Å; E39-K42 IonicContact OE1-NZ 3.11Å; E39-K42 PolarHBondContact OE1-NZ 3.32Å; E39-K42 IonicContact OE2-NZ 2.87Å; E39-I43 WeakPolarHBondContact O-CD1 3.28Å; E39-I43 WeakPolarHBondContact O-CG1 3.39Å; E39-I43 PolarHBondContact O-N 2.83Å |
| 40 | L | 69.9 | Low | 69.3 | Low | 52 Ų | 52 | 97.3 Ų | 97.3 | 27% | 0.272 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 174.7 | -72.5 | 171.9 | 0 | 0 | 0 | 112.1 | H36 H37 K42 I43 L44 P98 | H36-L40 WeakPolarHBondContact O-CG 3.42Å; H36-L40 PolarHBondContact O-N 2.72Å; H37-L40 PolarHBondContact O-N 2.89Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 3.22Å; L40-L44 PolarHBondContact O-N 3.43Å; L40-P98 HydrophobicContact CD2-CB 4.28Å |
| 41 | H | 70.8 | Confident | 69.8 | Low | 128 Ų | 128 | 93.1 Ų | 93.1 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 177.6 | -177.3 | -94.6 | 0 | 0 | 0 | 111.7 | H37 E39 I43 L44 V45 | H37-H41 WeakPolarHBondContact O-CB 3.33Å; H37-H41 PolarHBondContact O-N 2.86Å; E39-H41 PolarHBondContact O-N 3.34Å; H41-I43 VanDerWaalsContact C-N 3.32Å; H41-I43 PolarHBondContact O-N 3.42Å; H41-L44 PolarHBondContact O-N 2.98Å; H41-V45 VanDerWaalsContact O-CG2 3.31Å; H41-V45 WeakPolarHBondContact O-CG2 3.43Å; H41-V45 PolarHBondContact O-N 3.44Å |
| 42 | K | 76.8 | Confident | 70.2 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 178.1 | -173 | -172.5 | -171 | -176.7 | 0 | 112.1 | Q38 E39 L40 R46 | Q38-K42 VanDerWaalsContact O-CB 3.25Å; Q38-K42 WeakPolarHBondContact O-CB 3.46Å; Q38-K42 PolarHBondContact O-N 2.96Å; E39-K42 WeakPolarHBondContact O-CB 3.29Å; E39-K42 PolarHBondContact O-N 2.93Å; E39-K42 IonicContact OE1-NZ 3.11Å; E39-K42 PolarHBondContact OE1-NZ 3.32Å; E39-K42 IonicContact OE2-NZ 2.87Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.33Å; K42-R46 VanDerWaalsContact CE-NH2 3.33Å; K42-R46 WeakPolarHBondContact O-CB 3.35Å; K42-R46 WeakPolarHBondContact O-CD 3.23Å; K42-R46 VanDerWaalsContact O-CG 3.22Å; K42-R46 WeakPolarHBondContact O-CG 3.35Å; K42-R46 PolarHBondContact O-N 3.46Å; K42-R46 VanDerWaalsContact O-N 3.09Å |
| 43 | I | 73.7 | Confident | 70.2 | Confident | 52 Ų | 52 | 86 Ų | 86 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67 | -48.6 | 175.5 | -64.1 | 161.4 | 0 | 0 | 0 | 110.1 | E39 L40 H41 V45 R46 T47 N102 | E39-I43 WeakPolarHBondContact O-CD1 3.28Å; E39-I43 WeakPolarHBondContact O-CG1 3.39Å; E39-I43 PolarHBondContact O-N 2.83Å; L40-I43 PolarHBondContact O-N 3.22Å; H41-I43 VanDerWaalsContact C-N 3.32Å; H41-I43 PolarHBondContact O-N 3.42Å; I43-V45 PolarHBondContact O-N 2.9Å; I43-R46 WeakPolarHBondContact O-CB 3.33Å; I43-R46 PolarHBondContact O-N 3.36Å; I43-R46 VanDerWaalsContact O-N 3.11Å; I43-T47 PolarHBondContact O-N 2.93Å; I43-T47 PolarHBondContact O-OG1 3.21Å; I43-T47 VanDerWaalsContact O-OG1 3.09Å; I43-N102 WeakPolarHBondContact CG2-ND2 3.5Å; I43-N102 WeakPolarHBondContact CG2-OD1 3.37Å |
| 44 | L | 73.8 | Confident | 70 | Confident | 75 Ų | 75 | 86.8 Ų | 86.8 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 179 | -175.2 | 138.3 | 0 | 0 | 0 | 112.2 | L40 H41 R46 T47 L48 | L40-L44 PolarHBondContact O-N 3.43Å; H41-L44 PolarHBondContact O-N 2.98Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.47Å; L44-T47 PolarHBondContact O-N 3.48Å; L44-L48 VanDerWaalsContact O-CB 3.32Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 2.89Å |
| 45 | V | 74.1 | Confident | 69.4 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.3 | 172 | 0 | 0 | 0 | 0 | 111.3 | H41 I43 L48 W49 | H41-V45 VanDerWaalsContact O-CG2 3.31Å; H41-V45 WeakPolarHBondContact O-CG2 3.43Å; H41-V45 PolarHBondContact O-N 3.44Å; I43-V45 PolarHBondContact O-N 2.9Å; V45-L48 PolarHBondContact O-N 2.92Å; V45-W49 WeakPolarHBondContact O-CB 3.45Å; V45-W49 PolarHBondContact O-N 3.34Å |
| 46 | R | 76.6 | Confident | 68.3 | Low | 142 Ų | 142 | 100 Ų | 100 | 54% | 0.536 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 176.8 | -78.9 | 170.1 | 174.8 | 164.3 | -9 | 112.4 | K42 I43 L44 W49 R50 | K42-R46 VanDerWaalsContact CE-NH2 3.33Å; K42-R46 WeakPolarHBondContact O-CB 3.35Å; K42-R46 WeakPolarHBondContact O-CD 3.23Å; K42-R46 VanDerWaalsContact O-CG 3.22Å; K42-R46 WeakPolarHBondContact O-CG 3.35Å; K42-R46 PolarHBondContact O-N 3.46Å; K42-R46 VanDerWaalsContact O-N 3.09Å; I43-R46 WeakPolarHBondContact O-CB 3.33Å; I43-R46 PolarHBondContact O-N 3.36Å; I43-R46 VanDerWaalsContact O-N 3.11Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 3.47Å; R46-W49 PolarHBondContact O-N 3.29Å; R46-R50 VanDerWaalsContact O-CB 3.29Å; R46-R50 WeakPolarHBondContact O-CB 3.2Å; R46-R50 PolarHBondContact O-N 2.88Å |
| 47 | T | 71.6 | Confident | 67.7 | Low | 21 Ų | 21 | 99.6 Ų | 99.6 | 13% | 0.129 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | I43 L44 W49 R50 N51 | I43-T47 PolarHBondContact O-N 2.93Å; I43-T47 PolarHBondContact O-OG1 3.21Å; I43-T47 VanDerWaalsContact O-OG1 3.09Å; L44-T47 PolarHBondContact O-N 3.48Å; T47-W49 PolarHBondContact O-N 3.28Å; T47-R50 PolarHBondContact O-N 3.45Å; T47-N51 PolarHBondContact O-N 2.91Å; T47-N51 VanDerWaalsContact O-N 3.11Å; T47-N51 PolarHBondContact O-ND2 3.45Å |
| 48 | L | 71.5 | Confident | 66.7 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 178.5 | -164.4 | 128.6 | 0 | 0 | 0 | 111.7 | L44 V45 N51 I52 | L44-L48 VanDerWaalsContact O-CB 3.32Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 2.89Å; V45-L48 PolarHBondContact O-N 2.92Å; L48-N51 PolarHBondContact O-N 3.27Å; L48-I52 HydrophobicContact CD2-CD1 3.4Å; L48-I52 VanDerWaalsContact CD2-CD1 3.4Å; L48-I52 HydrophobicContact CD2-CG1 4.43Å; L48-I52 HydrophobicContact CG-CD1 4.1Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.31Å; L48-I52 PolarHBondContact O-N 2.88Å |
| 49 | W | 73.7 | Confident | 65.7 | Low | 167 Ų | 167 | 100 Ų | 100 | 63% | 0.633 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 175 | -178 | -105.7 | 0 | 0 | 0 | 112.7 | V45 R46 T47 N51 I52 N53 | V45-W49 WeakPolarHBondContact O-CB 3.45Å; V45-W49 PolarHBondContact O-N 3.34Å; R46-W49 PolarHBondContact O-N 3.29Å; T47-W49 PolarHBondContact O-N 3.28Å; W49-N51 PolarHBondContact O-N 3.49Å; W49-I52 PolarHBondContact O-N 2.87Å; W49-N53 WeakPolarHBondContact O-CB 3.48Å; W49-N53 PolarHBondContact O-N 3.4Å |
| 50 | R | 69.1 | Low | 64.7 | Low | 198 Ų | 198 | 101 Ų | 101 | 75% | 0.747 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.8 | -34.4 | 177.4 | -177.5 | 178.5 | 177.6 | 174.1 | -1.3 | 112 | R46 T47 | R46-R50 VanDerWaalsContact O-CB 3.29Å; R46-R50 WeakPolarHBondContact O-CB 3.2Å; R46-R50 PolarHBondContact O-N 2.88Å; T47-R50 PolarHBondContact O-N 3.45Å |
| 51 | N | 65.9 | Low | 63.9 | Low | 25 Ų | 25 | 103.9 Ų | 103.9 | 13% | 0.134 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -82.5 | -39.1 | 178.8 | -71.3 | -42.2 | 0 | 0 | 0 | 112.5 | T47 L48 W49 N53 V109 P111 | T47-N51 PolarHBondContact O-N 2.91Å; T47-N51 VanDerWaalsContact O-N 3.11Å; T47-N51 PolarHBondContact O-ND2 3.45Å; L48-N51 PolarHBondContact O-N 3.27Å; W49-N51 PolarHBondContact O-N 3.49Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 3.49Å; N51-V109 HydrophobicContact CB-CG1 3.59Å; N51-V109 WeakPolarHBondContact ND2-CB 3.31Å; N51-V109 VanDerWaalsContact ND2-CG1 3.32Å; N51-V109 WeakPolarHBondContact ND2-CG1 3.14Å; N51-V109 PolarHBondContact ND2-O 3.42Å; N51-V109 PolarHBondContact OD1-O 2.89Å; N51-P111 VanDerWaalsContact O-CB 3.29Å; N51-P111 WeakPolarHBondContact O-CB 3.19Å |
| 52 | I | 67 | Low | 63.3 | Low | 49 Ų | 49 | 103.6 Ų | 103.6 | 25% | 0.251 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 176.1 | -73.3 | 174.4 | 0 | 0 | 0 | 112.1 | L48 W49 P54 V68 | L48-I52 HydrophobicContact CD2-CD1 3.4Å; L48-I52 VanDerWaalsContact CD2-CD1 3.4Å; L48-I52 HydrophobicContact CD2-CG1 4.43Å; L48-I52 HydrophobicContact CG-CD1 4.1Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.31Å; L48-I52 PolarHBondContact O-N 2.88Å; W49-I52 PolarHBondContact O-N 2.87Å; I52-P54 WeakPolarHBondContact O-CD 3.41Å; I52-V68 HydrophobicContact CG1-CG1 4.41Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å; I52-V68 HydrophobicContact CG2-CG2 4.14Å |
| 53 | N | 64.1 | Low | 62.4 | Low | 73 Ų | 73 | 109 Ų | 109 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -107 | 77.3 | -179 | -165.2 | 25.1 | 0 | 0 | 0 | 110.1 | W49 N51 R55 | W49-N53 WeakPolarHBondContact O-CB 3.48Å; W49-N53 PolarHBondContact O-N 3.4Å; N51-N53 VanDerWaalsContact C-N 3.31Å; N51-N53 PolarHBondContact O-N 3.49Å; N53-R55 PolarHBondContact O-N 3.49Å |
| 54 | P | 55 | Low | 61.5 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 38% | 0.383 | 56% | 0.556 | S | S | . | * | trans | -59.4 | 132.7 | 167.2 | 27.3 | -31.6 | 0 | 0 | 0 | 107 | I52 N56 L57 | I52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-N56 PolarHBondContact O-N 2.84Å; P54-L57 PolarHBondContact O-N 3.21Å | ||
| 55 | R | 52.7 | Low | 60.8 | Low | 248 Ų | 248 | 113.6 Ų | 113.6 | 94% | 0.936 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | -3.4 | -179.3 | -85.5 | -176.3 | 178.5 | -163.8 | -0.6 | 116.1 | N53 | N53-R55 PolarHBondContact O-N 3.49Š|
| 56 | N | 47.6 | Very low | 60.2 | Low | 149 Ų | 149 | 115.6 Ų | 115.6 | 80% | 0.797 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 12.4 | -173.2 | -63.4 | -5.8 | 0 | 0 | 0 | 113.9 | P54 P58 | P54-N56 PolarHBondContact O-N 2.84Å; N56-P58 WeakPolarHBondContact O-CD 3.39Å |
| 57 | L | 53.6 | Low | 59.2 | Low | 85 Ų | 85 | 117.4 Ų | 117.4 | 45% | 0.445 | 60% | 0.596 | S | S | . | * | trans | -76.1 | 117.1 | 171 | -144.4 | 73.2 | 0 | 0 | 0 | 109.3 | P54 I66 | P54-L57 PolarHBondContact O-N 3.21Å; L57-I66 HydrophobicContact CD2-CD1 4.4Å | ||
| 58 | P | 48.5 | Very low | 58.7 | Low | 93 Ų | 93 | 118.9 Ų | 118.9 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | trans | -61.5 | 145.1 | 177.5 | 25.1 | -31.6 | 0 | 0 | 0 | 109.2 | N56 I60 | N56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-I60 VanDerWaalsContact C-N 3.26Å; P58-I60 HydrophobicContact CG-CD1 4.33Å; P58-I60 WeakPolarHBondContact O-CG1 3.45Å; P58-I60 PolarHBondContact O-N 2.96Å | ||
| 59 | N | 50.3 | Low | 58 | Low | 172 Ų | 172 | 121.5 Ų | 121.5 | 92% | 0.92 | 62% | 0.615 | S | S | * | * | trans | -51.1 | 81.8 | 179.8 | -73.1 | -22.2 | 0 | 0 | 0 | 112.3 | ||||
| 60 | I | 52.7 | Low | 57.4 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 55% | 0.549 | 60% | 0.599 | S | S | . | * | trans | -94.9 | 117.9 | 173.5 | -64.6 | 158 | 0 | 0 | 0 | 106.3 | P58 S62 | P58-I60 VanDerWaalsContact C-N 3.26Å; P58-I60 HydrophobicContact CG-CD1 4.33Å; P58-I60 WeakPolarHBondContact O-CG1 3.45Å; P58-I60 PolarHBondContact O-N 2.96Å; I60-S62 PolarHBondContact O-N 3.45Å | ||
| 61 | P | 51.8 | Low | 57.1 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -66.8 | 97.4 | -177.1 | 24.2 | -31.3 | 0 | 0 | 0 | 111.7 | K63 | P61-K63 VanDerWaalsContact C-N 3.27Å; P61-K63 PolarHBondContact O-N 3.4Å | ||
| 62 | S | 59.4 | Low | 57 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 30.3 | 24.1 | 141.2 | 76.7 | 0 | 0 | 0 | 0 | 122.2 | I60 | I60-S62 PolarHBondContact O-N 3.45Š|
| 63 | K | 56.8 | Low | 57 | Low | 198 Ų | 198 | 118.6 Ų | 118.6 | 86% | 0.861 | 62% | 0.621 | S | S | * | * | trans | -124.8 | -0.9 | 171 | -134.4 | -179.2 | -176.3 | -178.4 | 0 | 115.9 | P61 | P61-K63 VanDerWaalsContact C-N 3.27Å; P61-K63 PolarHBondContact O-N 3.4Å | ||
| 64 | T | 55.4 | Low | 57.2 | Low | 97 Ų | 97 | 117.9 Ų | 117.9 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -98.1 | 131.8 | 170.5 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | I66 | T64-I66 PolarHBondContact O-N 2.91Š|
| 65 | P | 59.4 | Low | 58.2 | Low | 127 Ų | 127 | 119.3 Ų | 119.3 | 83% | 0.825 | 62% | 0.618 | S | S | * | * | trans | -62.9 | 124.1 | 173.1 | 26.2 | -32.3 | 0 | 0 | 0 | 108.9 | K67 | P65-K67 PolarHBondContact O-N 2.92Š| ||
| 66 | I | 60.4 | Low | 59.3 | Low | 114 Ų | 114 | 115.8 Ų | 115.8 | 59% | 0.585 | 61% | 0.612 | S | S | * | * | trans | -78.9 | 111.4 | 175.1 | -56.4 | 173.7 | 0 | 0 | 0 | 106.8 | L57 T64 V68 | L57-I66 HydrophobicContact CD2-CD1 4.4Å; T64-I66 PolarHBondContact O-N 2.91Å; I66-V68 HydrophobicContact CG2-CG2 3.72Å; I66-V68 PolarHBondContact O-N 3.25Å | ||
| 67 | K | 56.9 | Low | 60.8 | Low | 180 Ų | 180 | 114.1 Ų | 114.1 | 78% | 0.783 | 60% | 0.598 | S | S | * | * | trans | -81.9 | 107.4 | 173.1 | -172.4 | 179.1 | -179.6 | -176.1 | 0 | 108.2 | P65 | P65-K67 PolarHBondContact O-N 2.92Š| ||
| 68 | V | 60.7 | Low | 61.7 | Low | 51 Ų | 51 | 110.6 Ų | 110.6 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | trans | -106.5 | 125.4 | 174.4 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | I52 I66 L70 | I52-V68 HydrophobicContact CG1-CG1 4.41Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å; I52-V68 HydrophobicContact CG2-CG2 4.14Å; I66-V68 HydrophobicContact CG2-CG2 3.72Å; I66-V68 PolarHBondContact O-N 3.25Å; V68-L70 HydrophobicContact CG1-CD2 4.17Å; V68-L70 HydrophobicContact CG1-CG 4.3Å | ||
| 69 | Q | 56.5 | Low | 63.1 | Low | 126 Ų | 126 | 110.6 Ų | 110.6 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | trans | -98.3 | 116.4 | 169.2 | -170.5 | 167.5 | -0.7 | 0 | 0 | 107.9 | I114 | Q69-I114 HydrophobicContact CB-CD1 4.21Š| ||
| 70 | L | 61.7 | Low | 64.4 | Low | 58 Ų | 58 | 110 Ų | 110 | 30% | 0.304 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 115 | 177.5 | -62.6 | 159.6 | 0 | 0 | 0 | 107 | V68 F72 V109 | V68-L70 HydrophobicContact CG1-CD2 4.17Å; V68-L70 HydrophobicContact CG1-CG 4.3Å; L70-F72 HydrophobicContact CB-CD2 4.5Å; L70-F72 HydrophobicContact CB-CE2 3.74Å; L70-F72 HydrophobicContact CB-CZ 4.06Å; L70-V109 HydrophobicContact CD2-CG1 3.69Å |
| 71 | E | 61.9 | Low | 65.5 | Low | 114 Ų | 114 | 106.9 Ų | 106.9 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.2 | 170.6 | -172.3 | 175.9 | 179 | 0 | 0 | 108.4 | V73 V112 | E71-V73 HydrophobicContact CG-CG2 4.35Å; E71-V112 HydrophobicContact CB-CG2 3.76Å |
| 72 | F | 65.2 | Low | 66.6 | Low | 119 Ų | 119 | 103.7 Ų | 103.7 | 52% | 0.522 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 102.1 | 179.7 | -61.9 | -102.4 | 0 | 0 | 0 | 107.8 | L70 L74 I108 V109 | L70-F72 HydrophobicContact CB-CD2 4.5Å; L70-F72 HydrophobicContact CB-CE2 3.74Å; L70-F72 HydrophobicContact CB-CZ 4.06Å; F72-L74 HydrophobicContact CB-CD1 3.69Å; F72-L74 PolarHBondContact O-N 3.43Å; F72-I108 HydrophobicContact CB-CG2 3.53Å; F72-I108 HydrophobicContact CD1-CG2 3.27Å; F72-I108 HydrophobicContact CE1-CG2 4.28Å; F72-I108 HydrophobicContact CG-CG2 3.78Å; F72-V109 HydrophobicContact CE1-CG2 4.42Å |
| 73 | V | 66.8 | Low | 67.4 | Low | 87 Ų | 87 | 100.1 Ų | 100.1 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | trans | -92.5 | 97.8 | 171.9 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | E71 | E71-V73 HydrophobicContact CG-CG2 4.35Š| ||
| 74 | L | 67.3 | Low | 68.3 | Low | 58 Ų | 58 | 93.8 Ų | 93.8 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | trans | -95.9 | 130.2 | 172.3 | -77.7 | 78.1 | 0 | 0 | 0 | 109.3 | F72 I79 L82 I108 | F72-L74 HydrophobicContact CB-CD1 3.69Å; F72-L74 PolarHBondContact O-N 3.43Å; L74-I79 HydrophobicContact CB-CD1 4.29Å; L74-I79 HydrophobicContact CB-CG1 3.82Å; L74-I79 HydrophobicContact CD2-CG1 3.91Å; L74-L82 HydrophobicContact CD2-CD2 4.49Å; L74-I108 HydrophobicContact CD1-CD1 3.96Å; L74-I108 HydrophobicContact CD1-CG1 4.03Å; L74-I108 HydrophobicContact CD1-CG2 3.76Å; L74-I108 HydrophobicContact CD2-CD1 4.25Å; L74-I108 HydrophobicContact CG-CD1 3.85Å; L74-I108 HydrophobicContact CG-CG1 4.02Å | ||
| 75 | Q | 76.2 | Confident | 69 | Low | 89 Ų | 89 | 94.1 Ų | 94.1 | 42% | 0.416 | 46% | 0.458 | S | S | . | . | trans | -77.7 | 156.7 | 166.4 | -57 | 179.2 | 16.2 | 0 | 0 | 109.3 | K77 D78 I79 | Q75-K77 HydrophobicContact CB-CD 4.5Å; Q75-K77 HydrophobicContact CB-CG 3.85Å; Q75-K77 PolarHBondContact O-N 2.91Å; Q75-D78 VanDerWaalsContact CB-OD2 3.27Å; Q75-D78 WeakPolarHBondContact CB-OD2 3.4Å; Q75-D78 PolarHBondContact N-OD2 3.01Å; Q75-D78 WeakPolarHBondContact O-CA 3.42Å; Q75-D78 WeakPolarHBondContact O-CB 3.5Å; Q75-D78 PolarHBondContact O-N 3.43Å; Q75-I79 PolarHBondContact O-N 3.44Å; Q75-I79 VanDerWaalsContact O-N 3.11Å | ||
| 76 | E | 77.2 | Confident | 69.6 | Low | 174 Ų | 174 | 92.7 Ų | 92.7 | 81% | 0.813 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54.3 | -39 | 179.2 | -174.1 | 178.1 | -176.5 | 0 | 0 | 112.5 | D78 I79 Y80 | E76-D78 VanDerWaalsContact C-N 3.3Å; E76-D78 PolarHBondContact O-N 2.81Å; E76-I79 PolarHBondContact O-N 3.45Å; E76-Y80 PolarHBondContact O-N 2.82Å |
| 77 | K | 77.9 | Confident | 70.1 | Confident | 114 Ų | 114 | 93.3 Ų | 93.3 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 173.9 | 62.4 | 173.8 | -158.3 | -159.7 | 0 | 112.8 | Q75 Y80 I81 | Q75-K77 HydrophobicContact CB-CD 4.5Å; Q75-K77 HydrophobicContact CB-CG 3.85Å; Q75-K77 PolarHBondContact O-N 2.91Å; K77-Y80 PolarHBondContact O-N 3.16Å; K77-I81 WeakPolarHBondContact O-CD1 3.2Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; K77-I81 PolarHBondContact O-N 2.88Å |
| 78 | D | 73.5 | Confident | 70.5 | Confident | 10 Ų | 10 | 87.6 Ų | 87.6 | 5% | 0.053 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.6 | -39.9 | -176.6 | -51.8 | -34.9 | 0 | 0 | 0 | 109.2 | Q75 E76 Y80 I81 L82 I104 | Q75-D78 VanDerWaalsContact CB-OD2 3.27Å; Q75-D78 WeakPolarHBondContact CB-OD2 3.4Å; Q75-D78 PolarHBondContact N-OD2 3.01Å; Q75-D78 WeakPolarHBondContact O-CA 3.42Å; Q75-D78 WeakPolarHBondContact O-CB 3.5Å; Q75-D78 PolarHBondContact O-N 3.43Å; E76-D78 VanDerWaalsContact C-N 3.3Å; E76-D78 PolarHBondContact O-N 2.81Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.89Å; D78-I81 PolarHBondContact O-N 3.46Å; D78-L82 WeakPolarHBondContact O-CB 3.21Å; D78-L82 PolarHBondContact O-N 3.4Å; D78-I104 HydrophobicContact CB-CG2 4.31Å |
| 79 | I | 76.7 | Confident | 70.1 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 48% | 0.482 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 173 | -60.2 | 173.7 | 0 | 0 | 0 | 110.2 | L74 Q75 E76 L82 S83 | L74-I79 HydrophobicContact CB-CD1 4.29Å; L74-I79 HydrophobicContact CB-CG1 3.82Å; L74-I79 HydrophobicContact CD2-CG1 3.91Å; Q75-I79 PolarHBondContact O-N 3.44Å; Q75-I79 VanDerWaalsContact O-N 3.11Å; E76-I79 PolarHBondContact O-N 3.45Å; I79-L82 PolarHBondContact O-N 2.95Å; I79-S83 VanDerWaalsContact O-CB 3.27Å; I79-S83 WeakPolarHBondContact O-CB 3.28Å; I79-S83 PolarHBondContact O-N 3.07Å; I79-S83 PolarHBondContact O-OG 3.48Å |
| 80 | Y | 77.4 | Confident | 70.1 | Confident | 160 Ų | 160 | 93.9 Ų | 93.9 | 63% | 0.627 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 178.3 | -178.6 | -98.5 | 0 | 0 | 0 | 111.7 | E76 K77 D78 L82 S83 K84 | E76-Y80 PolarHBondContact O-N 2.82Å; K77-Y80 PolarHBondContact O-N 3.16Å; D78-Y80 VanDerWaalsContact C-N 3.33Å; D78-Y80 PolarHBondContact O-N 2.89Å; Y80-L82 PolarHBondContact O-N 3.42Å; Y80-S83 PolarHBondContact O-N 3.22Å; Y80-S83 PolarHBondContact O-OG 2.9Å; Y80-K84 HydrophobicContact CE1-CD 4.41Å; Y80-K84 WeakPolarHBondContact O-CB 3.32Å; Y80-K84 PolarHBondContact O-N 2.97Å |
| 81 | I | 76.1 | Confident | 69.6 | Low | 40 Ų | 40 | 97 Ų | 97 | 21% | 0.205 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 178 | -69.7 | 159.7 | 0 | 0 | 0 | 111.3 | K77 D78 K84 Y85 V96 L100 I104 | K77-I81 WeakPolarHBondContact O-CD1 3.2Å; K77-I81 VanDerWaalsContact O-CG1 3.29Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; K77-I81 PolarHBondContact O-N 2.88Å; D78-I81 PolarHBondContact O-N 3.46Å; I81-K84 PolarHBondContact O-N 3.37Å; I81-Y85 PolarHBondContact O-N 3.35Å; I81-V96 HydrophobicContact CG2-CG1 3.93Å; I81-L100 HydrophobicContact CD1-CD2 4.06Å; I81-L100 HydrophobicContact CG1-CD2 4.37Å; I81-L100 HydrophobicContact CG2-CD2 3.49Å; I81-L100 VanDerWaalsContact CG2-CD2 3.49Å; I81-I104 HydrophobicContact CB-CD1 4.16Å; I81-I104 HydrophobicContact CD1-CD1 4.34Å; I81-I104 HydrophobicContact CG2-CD1 3.69Å |
| 82 | L | 74.8 | Confident | 69.3 | Low | 45 Ų | 45 | 95.8 Ų | 95.8 | 24% | 0.236 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | -180 | -144.8 | 77.3 | 0 | 0 | 0 | 110.9 | L74 D78 I79 Y80 K84 Y85 C86 I101 I104 | L74-L82 HydrophobicContact CD2-CD2 4.49Å; D78-L82 WeakPolarHBondContact O-CB 3.21Å; D78-L82 PolarHBondContact O-N 3.4Å; I79-L82 PolarHBondContact O-N 2.95Å; Y80-L82 PolarHBondContact O-N 3.42Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.07Å; L82-Y85 PolarHBondContact O-N 3.13Å; L82-C86 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-SG 3.37Å; L82-C86 VanDerWaalsContact O-SG 3.36Å; L82-I101 HydrophobicContact CD1-CG2 4.44Å; L82-I104 HydrophobicContact CD1-CG2 4.37Å |
| 83 | S | 76.7 | Confident | 68.7 | Low | 47 Ų | 47 | 98.9 Ų | 98.9 | 33% | 0.329 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.3 | 78.4 | 0 | 0 | 0 | 0 | 111.8 | I79 Y80 C86 N87 | I79-S83 VanDerWaalsContact O-CB 3.27Å; I79-S83 WeakPolarHBondContact O-CB 3.28Å; I79-S83 PolarHBondContact O-N 3.07Å; I79-S83 PolarHBondContact O-OG 3.48Å; Y80-S83 PolarHBondContact O-N 3.22Å; Y80-S83 PolarHBondContact O-OG 2.9Å; S83-C86 PolarHBondContact O-N 3.4Å; S83-N87 VanDerWaalsContact O-CB 3.24Å; S83-N87 WeakPolarHBondContact O-CB 3.45Å; S83-N87 VanDerWaalsContact O-CG 3.24Å; S83-N87 PolarHBondContact O-N 2.82Å; S83-N87 PolarHBondContact O-ND2 2.8Å; S83-N87 VanDerWaalsContact O-ND2 3.15Å |
| 84 | K | 75 | Confident | 68.1 | Low | 65 Ų | 65 | 98.9 Ų | 98.9 | 28% | 0.283 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 177 | -172.7 | 175.8 | 178.4 | -176.6 | 0 | 110.3 | Y80 I81 L82 L88 N94 V96 | Y80-K84 HydrophobicContact CE1-CD 4.41Å; Y80-K84 WeakPolarHBondContact O-CB 3.32Å; Y80-K84 PolarHBondContact O-N 2.97Å; I81-K84 PolarHBondContact O-N 3.37Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.07Å; K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 WeakPolarHBondContact O-CD1 3.21Å; K84-L88 PolarHBondContact O-N 3.07Å; K84-N94 PolarHBondContact NZ-OD1 2.99Å; K84-V96 HydrophobicContact CD-CG2 4.25Å; K84-V96 HydrophobicContact CG-CG2 4.25Å |
| 85 | Y | 71.7 | Confident | 67.7 | Low | 104 Ų | 104 | 106 Ų | 106 | 41% | 0.408 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.4 | -177.6 | -105.6 | 0 | 0 | 0 | 112.9 | I81 L82 N87 L88 V96 I101 | I81-Y85 PolarHBondContact O-N 3.35Å; L82-Y85 PolarHBondContact O-N 3.13Å; Y85-N87 PolarHBondContact O-N 2.96Å; Y85-L88 PolarHBondContact O-N 3.48Å; Y85-V96 HydrophobicContact CD2-CB 4.11Å; Y85-V96 HydrophobicContact CD2-CG1 4.41Å; Y85-I101 HydrophobicContact CD1-CD1 3.46Å; Y85-I101 VanDerWaalsContact CD1-CD1 3.46Å; Y85-I101 HydrophobicContact CD2-CD1 3.15Å; Y85-I101 HydrophobicContact CD2-CG1 4.48Å; Y85-I101 HydrophobicContact CE1-CD1 3.56Å; Y85-I101 HydrophobicContact CE2-CD1 3.24Å; Y85-I101 HydrophobicContact CG-CD1 3.21Å; Y85-I101 HydrophobicContact CG-CG1 4.34Å; Y85-I101 VanDerWaalsContact CZ-CD1 3.43Å |
| 86 | C | 70.8 | Confident | 67.1 | Low | 97 Ų | 97 | 102.9 Ų | 102.9 | 66% | 0.655 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.4 | -32.5 | -180 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | L82 S83 L88 | L82-C86 PolarHBondContact O-N 2.98Å; L82-C86 PolarHBondContact O-SG 3.37Å; L82-C86 VanDerWaalsContact O-SG 3.36Å; S83-C86 PolarHBondContact O-N 3.4Å; C86-L88 VanDerWaalsContact C-N 3.33Å |
| 87 | N | 71.9 | Confident | 66.7 | Low | 128 Ų | 128 | 97.2 Ų | 97.2 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.2 | -179.2 | -69.1 | -29.2 | 0 | 0 | 0 | 113.4 | S83 Y85 N89 | S83-N87 VanDerWaalsContact O-CB 3.24Å; S83-N87 WeakPolarHBondContact O-CB 3.45Å; S83-N87 VanDerWaalsContact O-CG 3.24Å; S83-N87 PolarHBondContact O-N 2.82Å; S83-N87 PolarHBondContact O-ND2 2.8Å; S83-N87 VanDerWaalsContact O-ND2 3.15Å; Y85-N87 PolarHBondContact O-N 2.96Å; N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 3.02Å |
| 88 | L | 65.3 | Low | 66.1 | Low | 59 Ų | 59 | 93.8 Ų | 93.8 | 31% | 0.309 | 48% | 0.481 | S | S | . | . | trans | -73.5 | 88.4 | 178.7 | -119.3 | 106.6 | 0 | 0 | 0 | 110.4 | K84 Y85 C86 N90 N94 | K84-L88 HydrophobicContact CG-CD1 4Å; K84-L88 WeakPolarHBondContact O-CD1 3.21Å; K84-L88 PolarHBondContact O-N 3.07Å; Y85-L88 PolarHBondContact O-N 3.48Å; C86-L88 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.42Å; L88-N90 VanDerWaalsContact O-N 3.14Å; L88-N94 HydrophobicContact CD1-CB 4.15Å; L88-N94 WeakPolarHBondContact CD1-O 3.17Å; L88-N94 HydrophobicContact CD2-CB 4.36Å; L88-N94 WeakPolarHBondContact CD2-O 3.32Å | ||
| 89 | N | 52.6 | Low | 65.8 | Low | 142 Ų | 142 | 98.7 Ų | 98.7 | 76% | 0.759 | 51% | 0.507 | S | S | * | . | trans | -70.7 | 97 | 158.9 | -96.5 | -5.7 | 0 | 0 | 0 | 108.1 | N87 D91 | N87-N89 VanDerWaalsContact C-N 3.34Å; N87-N89 PolarHBondContact O-N 3.02Å; N89-D91 PolarHBondContact O-N 3.12Å | ||
| 90 | N | 55.2 | Low | 65.5 | Low | 167 Ų | 167 | 97.5 Ų | 97.5 | 89% | 0.893 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 49.1 | 2.7 | 159.6 | -85.3 | -13.3 | 0 | 0 | 0 | 120.6 | L88 S92 | L88-N90 PolarHBondContact O-N 3.42Å; L88-N90 VanDerWaalsContact O-N 3.14Å; N90-S92 PolarHBondContact O-N 2.98Å; N90-S92 VanDerWaalsContact O-N 3.09Å |
| 91 | D | 51.4 | Low | 65.2 | Low | 125 Ų | 125 | 90.5 Ų | 90.5 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | trans | -74.6 | 108.7 | -178.9 | -72.1 | -23.3 | 0 | 0 | 0 | 109.6 | N89 E93 N94 | N89-D91 PolarHBondContact O-N 3.12Å; D91-E93 PolarHBondContact O-N 3.08Å; D91-N94 PolarHBondContact O-N 3.28Å | ||
| 92 | S | 55.2 | Low | 64.8 | Low | 87 Ų | 87 | 90.5 Ų | 90.5 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.9 | -169.8 | 48.3 | 0 | 0 | 0 | 0 | 115.5 | N90 | N90-S92 PolarHBondContact O-N 2.98Å; N90-S92 VanDerWaalsContact O-N 3.09Å |
| 93 | E | 53 | Low | 64.7 | Low | 185 Ų | 185 | 93.3 Ų | 93.3 | 86% | 0.864 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -13.3 | -172.6 | -80.4 | -170.6 | 149 | 0 | 0 | 115.4 | D91 | D91-E93 PolarHBondContact O-N 3.08Š|
| 94 | N | 54.2 | Low | 64.3 | Low | 87 Ų | 87 | 91.5 Ų | 91.5 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | trans | -119.9 | 46.4 | -175.1 | -106.6 | -36 | 0 | 0 | 0 | 112.5 | K84 L88 D91 V96 | K84-N94 PolarHBondContact NZ-OD1 2.99Å; L88-N94 HydrophobicContact CD1-CB 4.15Å; L88-N94 WeakPolarHBondContact CD1-O 3.17Å; L88-N94 HydrophobicContact CD2-CB 4.36Å; L88-N94 WeakPolarHBondContact CD2-O 3.32Å; D91-N94 PolarHBondContact O-N 3.28Å; N94-V96 VanDerWaalsContact C-N 3.33Å; N94-V96 PolarHBondContact O-N 2.98Å | ||
| 95 | R | 59.9 | Low | 64 | Low | 208 Ų | 208 | 91.9 Ų | 91.9 | 79% | 0.785 | 48% | 0.479 | S | S | * | . | trans | -64.9 | 89.9 | 178.1 | -61 | -175.1 | -174.5 | -143.1 | -0 | 110.3 | S97 | R95-S97 PolarHBondContact O-N 2.95Š| ||
| 96 | V | 63.5 | Low | 63.8 | Low | 23 Ų | 23 | 89.8 Ų | 89.8 | 14% | 0.139 | 48% | 0.479 | C | S | . | . | trans | -56 | 122.2 | 158.2 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | I81 K84 Y85 N94 L100 I101 | I81-V96 HydrophobicContact CG2-CG1 3.93Å; K84-V96 HydrophobicContact CD-CG2 4.25Å; K84-V96 HydrophobicContact CG-CG2 4.25Å; Y85-V96 HydrophobicContact CD2-CB 4.11Å; Y85-V96 HydrophobicContact CD2-CG1 4.41Å; N94-V96 VanDerWaalsContact C-N 3.33Å; N94-V96 PolarHBondContact O-N 2.98Å; V96-L100 HydrophobicContact CG1-CD2 3.98Å; V96-I101 HydrophobicContact CG1-CD1 4.14Å; V96-I101 HydrophobicContact CG1-CG1 4.15Å | ||
| 97 | S | 67.1 | Low | 63.7 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | trans | -66.2 | 137.4 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 110 | R95 D99 L100 | R95-S97 PolarHBondContact O-N 2.95Å; S97-D99 PolarHBondContact O-N 2.73Å; S97-L100 WeakPolarHBondContact O-CB 3.26Å; S97-L100 PolarHBondContact O-N 2.96Å; S97-L100 VanDerWaalsContact O-N 3.16Å | ||
| 98 | P | 65.9 | Low | 63.4 | Low | 41 Ų | 41 | 84 Ų | 84 | 27% | 0.266 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -27.2 | 177.1 | 22.9 | -32.1 | 0 | 0 | 0 | 112.4 | L40 I101 N102 | L40-P98 HydrophobicContact CD2-CB 4.28Å; P98-I101 PolarHBondContact O-N 2.77Å; P98-N102 PolarHBondContact O-N 3.36Å |
| 99 | D | 68 | Low | 63.2 | Low | 113 Ų | 113 | 81.8 Ų | 81.8 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 177 | -58.9 | -32.4 | 0 | 0 | 0 | 112.3 | S97 I101 N102 D103 | S97-D99 PolarHBondContact O-N 2.73Å; D99-I101 VanDerWaalsContact C-N 3.26Å; D99-I101 PolarHBondContact O-N 3.06Å; D99-N102 WeakPolarHBondContact O-CB 3.49Å; D99-N102 PolarHBondContact O-N 2.87Å; D99-N102 VanDerWaalsContact O-N 3.13Å; D99-D103 PolarHBondContact O-N 2.9Å |
| 100 | L | 70.7 | Confident | 63.5 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 37% | 0.366 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 178.4 | -167.1 | 90.9 | 0 | 0 | 0 | 111.4 | I81 V96 S97 D103 I104 | I81-L100 HydrophobicContact CD1-CD2 4.06Å; I81-L100 HydrophobicContact CG1-CD2 4.37Å; I81-L100 HydrophobicContact CG2-CD2 3.49Å; I81-L100 VanDerWaalsContact CG2-CD2 3.49Å; V96-L100 HydrophobicContact CG1-CD2 3.98Å; S97-L100 WeakPolarHBondContact O-CB 3.26Å; S97-L100 PolarHBondContact O-N 2.96Å; S97-L100 VanDerWaalsContact O-N 3.16Å; L100-D103 PolarHBondContact O-N 3.41Å; L100-I104 WeakPolarHBondContact O-CD1 3.16Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.79Å |
| 101 | I | 69.1 | Low | 63.6 | Low | 13 Ų | 13 | 77.1 Ų | 77.1 | 7% | 0.067 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.1 | -38.9 | 177.7 | -63.9 | 164.5 | 0 | 0 | 0 | 110.2 | L82 Y85 V96 P98 D99 D103 I104 F105 | L82-I101 HydrophobicContact CD1-CG2 4.44Å; Y85-I101 HydrophobicContact CD1-CD1 3.46Å; Y85-I101 VanDerWaalsContact CD1-CD1 3.46Å; Y85-I101 HydrophobicContact CD2-CD1 3.15Å; Y85-I101 HydrophobicContact CD2-CG1 4.48Å; Y85-I101 HydrophobicContact CE1-CD1 3.56Å; Y85-I101 HydrophobicContact CE2-CD1 3.24Å; Y85-I101 HydrophobicContact CG-CD1 3.21Å; Y85-I101 HydrophobicContact CG-CG1 4.34Å; Y85-I101 VanDerWaalsContact CZ-CD1 3.43Å; V96-I101 HydrophobicContact CG1-CD1 4.14Å; V96-I101 HydrophobicContact CG1-CG1 4.15Å; P98-I101 PolarHBondContact O-N 2.77Å; D99-I101 VanDerWaalsContact C-N 3.26Å; D99-I101 PolarHBondContact O-N 3.06Å; I101-D103 VanDerWaalsContact C-N 3.34Å; I101-I104 WeakPolarHBondContact O-CB 3.16Å; I101-I104 PolarHBondContact O-N 2.87Å; I101-F105 HydrophobicContact CG2-CD2 3.59Å; I101-F105 HydrophobicContact CG2-CE2 3.36Å; I101-F105 WeakPolarHBondContact O-CD2 3.46Å; I101-F105 PolarHBondContact O-N 3.45Å |
| 102 | N | 69.1 | Low | 63.8 | Low | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.214 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.2 | -172 | 50.7 | 0 | 0 | 0 | 112.3 | I43 P98 D99 F105 S106 | I43-N102 WeakPolarHBondContact CG2-ND2 3.5Å; I43-N102 WeakPolarHBondContact CG2-OD1 3.37Å; P98-N102 PolarHBondContact O-N 3.36Å; D99-N102 WeakPolarHBondContact O-CB 3.49Å; D99-N102 PolarHBondContact O-N 2.87Å; D99-N102 VanDerWaalsContact O-N 3.13Å; N102-F105 PolarHBondContact O-N 2.97Å; N102-S106 WeakPolarHBondContact O-CB 3.28Å; N102-S106 PolarHBondContact O-N 3.28Å |
| 103 | D | 71.3 | Confident | 63.7 | Low | 104 Ų | 104 | 74.1 Ų | 74.1 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 172.4 | -72.4 | -17.8 | 0 | 0 | 0 | 111.2 | D99 L100 I101 F105 S106 E107 | D99-D103 PolarHBondContact O-N 2.9Å; L100-D103 PolarHBondContact O-N 3.41Å; I101-D103 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 2.78Å; D103-S106 PolarHBondContact O-N 3.1Å; D103-S106 VanDerWaalsContact O-N 3.16Å; D103-E107 WeakPolarHBondContact O-CB 3.12Å; D103-E107 PolarHBondContact O-N 3.33Å |
| 104 | I | 69.7 | Low | 63.6 | Low | 9 Ų | 9 | 68.8 Ų | 68.8 | 5% | 0.046 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 173.4 | -72.1 | 165.9 | 0 | 0 | 0 | 110.3 | D78 I81 L82 L100 I101 S106 E107 I108 | D78-I104 HydrophobicContact CB-CG2 4.31Å; I81-I104 HydrophobicContact CB-CD1 4.16Å; I81-I104 HydrophobicContact CD1-CD1 4.34Å; I81-I104 HydrophobicContact CG2-CD1 3.69Å; L82-I104 HydrophobicContact CD1-CG2 4.37Å; L100-I104 WeakPolarHBondContact O-CD1 3.16Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.79Å; I101-I104 WeakPolarHBondContact O-CB 3.16Å; I101-I104 PolarHBondContact O-N 2.87Å; I104-S106 VanDerWaalsContact C-N 3.3Å; I104-S106 PolarHBondContact O-N 3.5Å; I104-E107 PolarHBondContact O-N 3.26Å; I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG2-CD1 3.23Å; I104-I108 HydrophobicContact CG2-CG1 3.95Å; I104-I108 WeakPolarHBondContact O-CB 3.39Å; I104-I108 WeakPolarHBondContact O-CD1 2.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.42Å; I104-I108 PolarHBondContact O-N 3.33Å |
| 105 | F | 68.5 | Low | 63.3 | Low | 73 Ų | 73 | 68.1 Ų | 68.1 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 176.6 | -80.3 | -63.8 | 0 | 0 | 0 | 113.3 | I101 N102 D103 V109 | I101-F105 HydrophobicContact CG2-CD2 3.59Å; I101-F105 HydrophobicContact CG2-CE2 3.36Å; I101-F105 WeakPolarHBondContact O-CD2 3.46Å; I101-F105 PolarHBondContact O-N 3.45Å; N102-F105 PolarHBondContact O-N 2.97Å; D103-F105 PolarHBondContact O-N 2.78Å; F105-V109 WeakPolarHBondContact O-CG2 3.44Å; F105-V109 PolarHBondContact O-N 3.49Å |
| 106 | S | 67.2 | Low | 62.9 | Low | 59 Ų | 59 | 65.3 Ų | 65.3 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | N102 D103 I104 | N102-S106 WeakPolarHBondContact O-CB 3.28Å; N102-S106 PolarHBondContact O-N 3.28Å; D103-S106 PolarHBondContact O-N 3.1Å; D103-S106 VanDerWaalsContact O-N 3.16Å; I104-S106 VanDerWaalsContact C-N 3.3Å; I104-S106 PolarHBondContact O-N 3.5Å |
| 107 | E | 68.8 | Low | 62.2 | Low | 98 Ų | 98 | 69.7 Ų | 69.7 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -80.8 | -37.9 | 178.7 | -174.4 | 171.5 | -178 | 0 | 0 | 112.4 | D103 I104 V109 | D103-E107 WeakPolarHBondContact O-CB 3.12Å; D103-E107 PolarHBondContact O-N 3.33Å; I104-E107 PolarHBondContact O-N 3.26Å; E107-V109 PolarHBondContact O-N 2.86Å |
| 108 | I | 65.6 | Low | 61.5 | Low | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | -176.8 | -68.7 | 163.2 | 0 | 0 | 0 | 111.3 | F72 L74 I104 R110 | F72-I108 HydrophobicContact CB-CG2 3.53Å; F72-I108 HydrophobicContact CD1-CG2 3.27Å; F72-I108 HydrophobicContact CE1-CG2 4.28Å; F72-I108 HydrophobicContact CG-CG2 3.78Å; L74-I108 HydrophobicContact CD1-CD1 3.96Å; L74-I108 HydrophobicContact CD1-CG1 4.03Å; L74-I108 HydrophobicContact CD1-CG2 3.76Å; L74-I108 HydrophobicContact CD2-CD1 4.25Å; L74-I108 HydrophobicContact CG-CD1 3.85Å; L74-I108 HydrophobicContact CG-CG1 4.02Å; I104-I108 HydrophobicContact CB-CD1 4.49Å; I104-I108 HydrophobicContact CG2-CD1 3.23Å; I104-I108 HydrophobicContact CG2-CG1 3.95Å; I104-I108 WeakPolarHBondContact O-CB 3.39Å; I104-I108 WeakPolarHBondContact O-CD1 2.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.42Å; I104-I108 PolarHBondContact O-N 3.33Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.42Å |
| 109 | V | 60.8 | Low | 61 | Low | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 84.5 | -173.8 | -175 | 0 | 0 | 0 | 0 | 109.4 | N51 L70 F72 F105 E107 | N51-V109 HydrophobicContact CB-CG1 3.59Å; N51-V109 WeakPolarHBondContact ND2-CB 3.31Å; N51-V109 VanDerWaalsContact ND2-CG1 3.32Å; N51-V109 WeakPolarHBondContact ND2-CG1 3.14Å; N51-V109 PolarHBondContact ND2-O 3.42Å; N51-V109 PolarHBondContact OD1-O 2.89Å; L70-V109 HydrophobicContact CD2-CG1 3.69Å; F72-V109 HydrophobicContact CE1-CG2 4.42Å; F105-V109 WeakPolarHBondContact O-CG2 3.44Å; F105-V109 PolarHBondContact O-N 3.49Å; E107-V109 PolarHBondContact O-N 2.86Å |
| 110 | R | 59.2 | Low | 60.2 | Low | 153 Ų | 153 | 75.6 Ų | 75.6 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.5 | 167.9 | -65.9 | -170.5 | -178.3 | -167.4 | 1.7 | 109.6 | I108 V112 | I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.42Å; R110-V112 PolarHBondContact O-N 2.69Å; R110-V112 VanDerWaalsContact O-N 3.08Å |
| 111 | P | 57.4 | Low | 59.3 | Low | 59 Ų | 59 | 79 Ų | 79 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 108.3 | 167.9 | 26.8 | -29.1 | 0 | 0 | 0 | 108.5 | N51 A113 | N51-P111 VanDerWaalsContact O-CB 3.29Å; N51-P111 WeakPolarHBondContact O-CB 3.19Å; P111-A113 PolarHBondContact O-N 2.79Å; P111-A113 VanDerWaalsContact O-N 3.12Å |
| 112 | V | 55.8 | Low | 58.9 | Low | 59 Ų | 59 | 84 Ų | 84 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | trans | -72.2 | 105.9 | 162.1 | -179 | 0 | 0 | 0 | 0 | 105.3 | E71 R110 I114 | E71-V112 HydrophobicContact CB-CG2 3.76Å; R110-V112 PolarHBondContact O-N 2.69Å; R110-V112 VanDerWaalsContact O-N 3.08Å; V112-I114 VanDerWaalsContact C-N 3.32Å; V112-I114 PolarHBondContact O-N 3.44Å | ||
| 113 | A | 53.1 | Low | 58.4 | Low | 89 Ų | 89 | 88.8 Ų | 88.8 | 74% | 0.736 | 46% | 0.455 | S | S | * | . | trans | -58.9 | 106.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | P111 S115 | P111-A113 PolarHBondContact O-N 2.79Å; P111-A113 VanDerWaalsContact O-N 3.12Å; A113-S115 PolarHBondContact O-N 2.87Å | ||
| 114 | I | 50.7 | Low | 57.7 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | trans | -62.1 | 92.9 | 162.3 | -57.6 | 165.8 | 0 | 0 | 0 | 103.1 | Q69 V112 D116 | Q69-I114 HydrophobicContact CB-CD1 4.21Å; V112-I114 VanDerWaalsContact C-N 3.32Å; V112-I114 PolarHBondContact O-N 3.44Å; I114-D116 PolarHBondContact O-N 3.42Å; I114-D116 VanDerWaalsContact O-N 3.16Å | ||
| 115 | S | 48.7 | Very low | 57.4 | Low | 74 Ų | 74 | 90.1 Ų | 90.1 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | trans | -56.6 | 122.9 | 152.5 | 62.7 | 0 | 0 | 0 | 0 | 103.3 | A113 N117 | A113-S115 PolarHBondContact O-N 2.87Å; S115-N117 PolarHBondContact O-N 3.08Å | ||
| 116 | D | 51.6 | Low | 57.4 | Low | 148 Ų | 148 | 92 Ų | 92 | 79% | 0.791 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -62.2 | 28.3 | 170 | -67.3 | -40.9 | 0 | 0 | 0 | 112 | I114 P118 | I114-D116 PolarHBondContact O-N 3.42Å; I114-D116 VanDerWaalsContact O-N 3.16Å; D116-P118 WeakPolarHBondContact O-CD 3.45Å |
| 117 | N | 47.4 | Very low | 57.6 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | trans | -81.7 | 99.7 | 165.6 | -75.1 | -17.6 | 0 | 0 | 0 | 106.8 | S115 Y119 | S115-N117 PolarHBondContact O-N 3.08Å; N117-Y119 PolarHBondContact O-N 3.23Å | ||
| 118 | P | 53.8 | Low | 57.8 | Low | 67 Ų | 67 | 90.9 Ų | 90.9 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | trans | -54.6 | 114.5 | 174.7 | 22.5 | -34.4 | 0 | 0 | 0 | 108.2 | D116 L120 F121 Q122 | D116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-L120 CarbonylContact O-C 3.57Å; P118-L120 PolarHBondContact O-N 3.3Å; P118-F121 HydrophobicContact CB-CB 4.35Å; P118-F121 HydrophobicContact CG-CB 3.64Å; P118-F121 WeakPolarHBondContact O-CA 2.94Å; P118-F121 WeakPolarHBondContact O-CB 3.41Å; P118-F121 PolarHBondContact O-N 2.83Å; P118-Q122 PolarHBondContact O-N 2.71Å | ||
| 119 | Y | 53.6 | Low | 58.2 | Low | 179 Ų | 179 | 94.4 Ų | 94.4 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -45.6 | -29.7 | 169.8 | 57.8 | -85.2 | 0 | 0 | 0 | 112 | N117 W123 | N117-Y119 PolarHBondContact O-N 3.23Å; Y119-W123 VanDerWaalsContact O-CB 3.31Å; Y119-W123 WeakPolarHBondContact O-CB 3.13Å; Y119-W123 PolarHBondContact O-N 2.84Å |
| 120 | L | 51.7 | Low | 58.8 | Low | 87 Ų | 87 | 96.4 Ų | 96.4 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 171.4 | -63.5 | 180 | 0 | 0 | 0 | 112.7 | P118 W123 F124 | P118-L120 CarbonylContact O-C 3.57Å; P118-L120 PolarHBondContact O-N 3.3Å; L120-W123 PolarHBondContact O-N 3.32Å; L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CB-CE2 4.1Å; L120-F124 WeakPolarHBondContact O-CB 3.29Å; L120-F124 WeakPolarHBondContact O-CD2 3.5Å; L120-F124 VanDerWaalsContact O-CG 3.26Å; L120-F124 WeakPolarHBondContact O-CG 3.38Å; L120-F124 PolarHBondContact O-N 3.37Å |
| 121 | F | 52.7 | Low | 59.7 | Low | 143 Ų | 143 | 96 Ų | 96 | 63% | 0.627 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.7 | -37.8 | -177.7 | -154.5 | -84.8 | 0 | 0 | 0 | 112.1 | P118 F124 T125 | P118-F121 HydrophobicContact CB-CB 4.35Å; P118-F121 HydrophobicContact CG-CB 3.64Å; P118-F121 WeakPolarHBondContact O-CA 2.94Å; P118-F121 WeakPolarHBondContact O-CB 3.41Å; P118-F121 PolarHBondContact O-N 2.83Å; F121-F124 PolarHBondContact O-N 2.88Å; F121-T125 HydrophobicContact CD1-CG2 4.24Å; F121-T125 HydrophobicContact CE1-CG2 4.24Å; F121-T125 WeakPolarHBondContact O-CG2 3.49Å; F121-T125 PolarHBondContact O-N 3.3Å; F121-T125 PolarHBondContact O-OG1 3.4Å |
| 122 | Q | 60.1 | Low | 60.7 | Low | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 174.2 | -171.2 | 172.6 | -6.1 | 0 | 0 | 112.1 | P118 T125 N126 | P118-Q122 PolarHBondContact O-N 2.71Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.31Å; Q122-T125 PolarHBondContact O-N 3.39Å; Q122-T125 PolarHBondContact O-OG1 3.46Å; Q122-N126 WeakPolarHBondContact O-CB 2.75Å; Q122-N126 PolarHBondContact O-N 3.39Å; Q122-N126 VanDerWaalsContact O-N 3.08Å |
| 123 | W | 59.6 | Low | 61.9 | Low | 142 Ų | 142 | 102.2 Ų | 102.2 | 54% | 0.538 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 172.4 | -177 | 78.7 | 0 | 0 | 0 | 112 | Y119 L120 T125 T127 F130 | Y119-W123 VanDerWaalsContact O-CB 3.31Å; Y119-W123 WeakPolarHBondContact O-CB 3.13Å; Y119-W123 PolarHBondContact O-N 2.84Å; L120-W123 PolarHBondContact O-N 3.32Å; W123-T125 PolarHBondContact O-N 2.92Å; W123-T127 WeakPolarHBondContact O-CB 3.39Å; W123-T127 PolarHBondContact O-N 3Å; W123-T127 PolarHBondContact O-OG1 2.9Å; W123-F130 HydrophobicContact CH2-CD2 4.06Å; W123-F130 AromaticContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CE2 4.21Å |
| 124 | F | 54.8 | Low | 63.1 | Low | 73 Ų | 73 | 100 Ų | 100 | 32% | 0.32 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 174.1 | -73.4 | -51.5 | 0 | 0 | 0 | 112.4 | L120 F121 F130 W131 | L120-F124 HydrophobicContact CB-CD2 4.43Å; L120-F124 HydrophobicContact CB-CE2 4.1Å; L120-F124 WeakPolarHBondContact O-CB 3.29Å; L120-F124 WeakPolarHBondContact O-CD2 3.5Å; L120-F124 VanDerWaalsContact O-CG 3.26Å; L120-F124 WeakPolarHBondContact O-CG 3.38Å; L120-F124 PolarHBondContact O-N 3.37Å; F121-F124 PolarHBondContact O-N 2.88Å; F124-F130 HydrophobicContact CB-CE1 4.48Å; F124-F130 AromaticContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD2 4.06Å; F124-F130 AromaticContact CD1-CE1 3.21Å; F124-F130 HydrophobicContact CD1-CE1 3.21Å; F124-F130 AromaticContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CE1-CD1 4.41Å; F124-F130 HydrophobicContact CE1-CD2 4.17Å; F124-F130 AromaticContact CE1-CE1 3.71Å; F124-F130 HydrophobicContact CE1-CE1 3.71Å; F124-F130 AromaticContact CE1-CE2 3.42Å; F124-F130 HydrophobicContact CE1-CE2 3.42Å; F124-F130 VanDerWaalsContact CE1-CE2 3.42Å; F124-F130 AromaticContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CG-CE1 4.18Å; F124-F130 HydrophobicContact CG-CZ 4.45Å; F124-F130 HydrophobicContact CZ-CZ 4.37Å; F124-W131 PolarHBondContact O-NE1 2.94Å |
| 125 | T | 63.4 | Low | 64.6 | Low | 68 Ų | 68 | 101.4 Ų | 101.4 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77.2 | -37 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | F121 Q122 W123 | F121-T125 HydrophobicContact CD1-CG2 4.24Å; F121-T125 HydrophobicContact CE1-CG2 4.24Å; F121-T125 WeakPolarHBondContact O-CG2 3.49Å; F121-T125 PolarHBondContact O-N 3.3Å; F121-T125 PolarHBondContact O-OG1 3.4Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.31Å; Q122-T125 PolarHBondContact O-N 3.39Å; Q122-T125 PolarHBondContact O-OG1 3.46Å; W123-T125 PolarHBondContact O-N 2.92Å |
| 126 | N | 69.5 | Low | 66.3 | Low | 111 Ų | 111 | 101.3 Ų | 101.3 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -88.3 | -8.5 | -168.7 | -70.4 | -1.7 | 0 | 0 | 0 | 114.6 | Q122 P128 | Q122-N126 WeakPolarHBondContact O-CB 2.75Å; Q122-N126 PolarHBondContact O-N 3.39Å; Q122-N126 VanDerWaalsContact O-N 3.08Å; N126-P128 WeakPolarHBondContact O-CD 3.41Å |
| 127 | T | 71.7 | Confident | 67.7 | Low | 34 Ų | 34 | 97.9 Ų | 97.9 | 21% | 0.209 | 50% | 0.503 | C | S | . | . | trans | -105.4 | 95.8 | -174.1 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | W123 S129 F130 | W123-T127 WeakPolarHBondContact O-CB 3.39Å; W123-T127 PolarHBondContact O-N 3Å; W123-T127 PolarHBondContact O-OG1 2.9Å; T127-S129 VanDerWaalsContact CG2-OG 3.22Å; T127-S129 WeakPolarHBondContact CG2-OG 3.33Å; T127-S129 PolarHBondContact O-N 3.32Å; T127-F130 HydrophobicContact CG2-CB 4.21Å; T127-F130 VanDerWaalsContact O-CB 3.31Å; T127-F130 WeakPolarHBondContact O-CB 3.46Å; T127-F130 PolarHBondContact O-N 2.96Å | ||
| 128 | P | 71.8 | Confident | 69.3 | Low | 100 Ų | 100 | 95.8 Ų | 95.8 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -29 | -177.6 | 23.4 | -33.8 | 0 | 0 | 0 | 113 | N126 F130 W131 M132 | N126-P128 WeakPolarHBondContact O-CD 3.41Å; P128-F130 VanDerWaalsContact C-N 3.26Å; P128-F130 PolarHBondContact O-N 3.38Å; P128-W131 PolarHBondContact O-N 3.38Å; P128-M132 PolarHBondContact O-N 3.41Å; P128-M132 VanDerWaalsContact O-N 3.13Å |
| 129 | S | 74.9 | Confident | 70.7 | Confident | 80 Ų | 80 | 97.6 Ų | 97.6 | 56% | 0.559 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -28.8 | 174.6 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | T127 L133 | T127-S129 VanDerWaalsContact CG2-OG 3.22Å; T127-S129 WeakPolarHBondContact CG2-OG 3.33Å; T127-S129 PolarHBondContact O-N 3.32Å; S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 2.81Å |
| 130 | F | 74.3 | Confident | 72.1 | Confident | 54 Ų | 54 | 91.7 Ų | 91.7 | 24% | 0.237 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 173.9 | 178.4 | -94.6 | 0 | 0 | 0 | 111.1 | W123 F124 T127 P128 L133 S134 | W123-F130 HydrophobicContact CH2-CD2 4.06Å; W123-F130 AromaticContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CD2 3.88Å; W123-F130 HydrophobicContact CZ3-CE2 4.21Å; F124-F130 HydrophobicContact CB-CE1 4.48Å; F124-F130 AromaticContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD1 3.66Å; F124-F130 HydrophobicContact CD1-CD2 4.06Å; F124-F130 AromaticContact CD1-CE1 3.21Å; F124-F130 HydrophobicContact CD1-CE1 3.21Å; F124-F130 AromaticContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CE2 3.66Å; F124-F130 HydrophobicContact CD1-CG 4.07Å; F124-F130 AromaticContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CD1-CZ 3.22Å; F124-F130 HydrophobicContact CE1-CD1 4.41Å; F124-F130 HydrophobicContact CE1-CD2 4.17Å; F124-F130 AromaticContact CE1-CE1 3.71Å; F124-F130 HydrophobicContact CE1-CE1 3.71Å; F124-F130 AromaticContact CE1-CE2 3.42Å; F124-F130 HydrophobicContact CE1-CE2 3.42Å; F124-F130 VanDerWaalsContact CE1-CE2 3.42Å; F124-F130 AromaticContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CE1-CZ 3.16Å; F124-F130 HydrophobicContact CG-CE1 4.18Å; F124-F130 HydrophobicContact CG-CZ 4.45Å; F124-F130 HydrophobicContact CZ-CZ 4.37Å; T127-F130 HydrophobicContact CG2-CB 4.21Å; T127-F130 VanDerWaalsContact O-CB 3.31Å; T127-F130 WeakPolarHBondContact O-CB 3.46Å; T127-F130 PolarHBondContact O-N 2.96Å; P128-F130 VanDerWaalsContact C-N 3.26Å; P128-F130 PolarHBondContact O-N 3.38Å; F130-L133 PolarHBondContact O-N 2.95Å; F130-S134 WeakPolarHBondContact O-CB 3.3Å; F130-S134 PolarHBondContact O-N 2.96Å |
| 131 | W | 76.2 | Confident | 73.6 | Confident | 145 Ų | 145 | 93.5 Ų | 93.5 | 55% | 0.549 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 177.3 | -71.2 | 100.2 | 0 | 0 | 0 | 112.4 | F124 P128 S134 L135 | F124-W131 PolarHBondContact O-NE1 2.94Å; P128-W131 PolarHBondContact O-N 3.38Å; W131-S134 PolarHBondContact O-N 2.88Å; W131-L135 VanDerWaalsContact O-CB 3.3Å; W131-L135 WeakPolarHBondContact O-CB 3.31Å; W131-L135 PolarHBondContact O-N 3.48Å |
| 132 | M | 79.5 | Confident | 74.9 | Confident | 135 Ų | 135 | 90.9 Ų | 90.9 | 67% | 0.665 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 175.7 | -68.1 | -61.9 | -71.1 | 0 | 0 | 112.1 | P128 S136 | P128-M132 PolarHBondContact O-N 3.41Å; P128-M132 VanDerWaalsContact O-N 3.13Å; M132-S136 WeakPolarHBondContact O-CB 3.42Å; M132-S136 PolarHBondContact O-N 3.46Å |
| 133 | L | 80.3 | Confident | 75.8 | Confident | 113 Ų | 113 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 176.1 | -171.1 | 72.6 | 0 | 0 | 0 | 111.6 | S129 F130 S136 C137 | S129-L133 WeakPolarHBondContact O-CB 3.18Å; S129-L133 PolarHBondContact O-N 2.81Å; F130-L133 PolarHBondContact O-N 2.95Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-C137 WeakPolarHBondContact O-CB 3.35Å; L133-C137 PolarHBondContact O-N 2.9Å |
| 134 | S | 78.1 | Confident | 76.6 | Confident | 42 Ų | 42 | 91.5 Ų | 91.5 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | F130 W131 C137 T138 | F130-S134 WeakPolarHBondContact O-CB 3.3Å; F130-S134 PolarHBondContact O-N 2.96Å; W131-S134 PolarHBondContact O-N 2.88Å; S134-C137 PolarHBondContact O-N 3.28Å; S134-T138 WeakPolarHBondContact O-CB 3.36Å; S134-T138 VanDerWaalsContact O-CG2 3.3Å; S134-T138 WeakPolarHBondContact O-CG2 3.45Å; S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.33Å |
| 135 | L | 83.7 | Confident | 77.4 | Confident | 103 Ų | 103 | 90.9 Ų | 90.9 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 174.3 | -163.5 | 91.3 | 0 | 0 | 0 | 111.2 | W131 T138 I139 | W131-L135 VanDerWaalsContact O-CB 3.3Å; W131-L135 WeakPolarHBondContact O-CB 3.31Å; W131-L135 PolarHBondContact O-N 3.48Å; L135-T138 WeakPolarHBondContact CA-OG1 3.31Å; L135-T138 PolarHBondContact O-N 2.88Å; L135-T138 PolarHBondContact O-OG1 2.99Å; L135-I139 HydrophobicContact CD2-CD1 4.17Å; L135-I139 HydrophobicContact CG-CD1 4.1Å; L135-I139 WeakPolarHBondContact O-CD1 3.3Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3.3Å |
| 136 | S | 83.2 | Confident | 77.9 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | M132 L133 T138 I139 A140 | M132-S136 WeakPolarHBondContact O-CB 3.42Å; M132-S136 PolarHBondContact O-N 3.46Å; L133-S136 PolarHBondContact O-N 3.36Å; S136-T138 PolarHBondContact O-N 3.5Å; S136-I139 PolarHBondContact O-N 2.98Å; S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.24Å |
| 137 | C | 82 | Confident | 77.9 | Confident | 76 Ų | 76 | 89.9 Ų | 89.9 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.6 | -84.8 | 0 | 0 | 0 | 0 | 112.5 | L133 S134 A140 F141 | L133-C137 WeakPolarHBondContact O-CB 3.35Å; L133-C137 PolarHBondContact O-N 2.9Å; S134-C137 PolarHBondContact O-N 3.28Å; C137-A140 PolarHBondContact O-N 2.92Å; C137-F141 VanDerWaalsContact O-CB 3.25Å; C137-F141 WeakPolarHBondContact O-CB 3.5Å; C137-F141 PolarHBondContact O-N 3.44Å |
| 138 | T | 80.6 | Confident | 77.6 | Confident | 71 Ų | 71 | 89 Ų | 89 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 177.7 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | S134 L135 S136 F141 V142 | S134-T138 WeakPolarHBondContact O-CB 3.36Å; S134-T138 VanDerWaalsContact O-CG2 3.3Å; S134-T138 WeakPolarHBondContact O-CG2 3.45Å; S134-T138 PolarHBondContact O-N 3.23Å; S134-T138 PolarHBondContact O-OG1 3.33Å; L135-T138 WeakPolarHBondContact CA-OG1 3.31Å; L135-T138 PolarHBondContact O-N 2.88Å; L135-T138 PolarHBondContact O-OG1 2.99Å; S136-T138 PolarHBondContact O-N 3.5Å; T138-F141 PolarHBondContact O-N 3.4Å; T138-V142 WeakPolarHBondContact O-CB 3.46Å; T138-V142 VanDerWaalsContact O-CG2 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.34Å |
| 139 | I | 83.9 | Confident | 77.1 | Confident | 105 Ų | 105 | 90.8 Ų | 90.8 | 54% | 0.538 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 172.6 | -66.8 | 164.5 | 0 | 0 | 0 | 110.4 | L135 S136 F141 V142 W143 | L135-I139 HydrophobicContact CD2-CD1 4.17Å; L135-I139 HydrophobicContact CG-CD1 4.1Å; L135-I139 WeakPolarHBondContact O-CD1 3.3Å; L135-I139 VanDerWaalsContact O-CG1 3.24Å; L135-I139 WeakPolarHBondContact O-CG1 3.33Å; L135-I139 PolarHBondContact O-N 3.3Å; S136-I139 PolarHBondContact O-N 2.98Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.75Å; I139-V142 PolarHBondContact O-N 3.34Å; I139-W143 VanDerWaalsContact O-CB 3.28Å; I139-W143 WeakPolarHBondContact O-CB 3.36Å; I139-W143 PolarHBondContact O-N 2.79Å |
| 140 | A | 82.4 | Confident | 76.7 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S136 C137 W143 L144 | S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.24Å; C137-A140 PolarHBondContact O-N 2.92Å; A140-W143 PolarHBondContact O-N 2.95Å; A140-L144 WeakPolarHBondContact O-CB 3.41Å; A140-L144 PolarHBondContact O-N 3.1Å |
| 141 | F | 82.2 | Confident | 76.1 | Confident | 124 Ų | 124 | 97.3 Ų | 97.3 | 54% | 0.544 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 177.2 | -176.1 | -105.3 | 0 | 0 | 0 | 111.9 | C137 T138 I139 W143 L144 L145 | C137-F141 VanDerWaalsContact O-CB 3.25Å; C137-F141 WeakPolarHBondContact O-CB 3.5Å; C137-F141 PolarHBondContact O-N 3.44Å; T138-F141 PolarHBondContact O-N 3.4Å; I139-F141 VanDerWaalsContact C-N 3.34Å; I139-F141 PolarHBondContact O-N 2.75Å; F141-W143 VanDerWaalsContact C-N 3.34Å; F141-L144 PolarHBondContact O-N 3.48Å; F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CD1-CG 4.28Å; F141-L145 HydrophobicContact CE1-CD1 3.38Å; F141-L145 HydrophobicContact CE1-CG 4Å; F141-L145 HydrophobicContact CZ-CD1 3.92Å; F141-L145 HydrophobicContact CZ-CD2 4.32Å; F141-L145 HydrophobicContact CZ-CG 4.15Å; F141-L145 WeakPolarHBondContact O-CB 3.49Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-L145 PolarHBondContact O-N 2.84Å |
| 142 | V | 80.9 | Confident | 75.5 | Confident | 88 Ų | 88 | 100.5 Ų | 100.5 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | T138 I139 L145 V146 | T138-V142 WeakPolarHBondContact O-CB 3.46Å; T138-V142 VanDerWaalsContact O-CG2 3.29Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.34Å; I139-V142 PolarHBondContact O-N 3.34Å; V142-L145 WeakPolarHBondContact O-CB 3.35Å; V142-L145 PolarHBondContact O-N 2.92Å; V142-V146 HydrophobicContact CG1-CG2 4.48Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.49Å; V142-V146 PolarHBondContact O-N 3.22Å |
| 143 | W | 77.9 | Confident | 74.7 | Confident | 178 Ų | 178 | 102.5 Ų | 102.5 | 67% | 0.674 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -41.5 | 177.7 | -160.3 | 80.1 | 0 | 0 | 0 | 111.9 | I139 A140 F141 V146 I147 | I139-W143 VanDerWaalsContact O-CB 3.28Å; I139-W143 WeakPolarHBondContact O-CB 3.36Å; I139-W143 PolarHBondContact O-N 2.79Å; A140-W143 PolarHBondContact O-N 2.95Å; F141-W143 VanDerWaalsContact C-N 3.34Å; W143-V146 PolarHBondContact O-N 2.87Å; W143-I147 HydrophobicContact CD2-CD1 3.84Å; W143-I147 HydrophobicContact CE3-CD1 3.31Å; W143-I147 HydrophobicContact CE3-CG1 4.4Å; W143-I147 HydrophobicContact CH2-CD1 3.46Å; W143-I147 VanDerWaalsContact CH2-CD1 3.46Å; W143-I147 HydrophobicContact CZ2-CD1 3.95Å; W143-I147 HydrophobicContact CZ3-CD1 3.12Å; W143-I147 HydrophobicContact CZ3-CG1 4.47Å; W143-I147 WeakPolarHBondContact O-CG1 3.36Å; W143-I147 PolarHBondContact O-N 2.9Å |
| 144 | L | 76.9 | Confident | 73.9 | Confident | 93 Ų | 93 | 100.5 Ų | 100.5 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 173.9 | -169.9 | 129.8 | 0 | 0 | 0 | 110.9 | A140 F141 V146 I147 I148 | A140-L144 WeakPolarHBondContact O-CB 3.41Å; A140-L144 PolarHBondContact O-N 3.1Å; F141-L144 PolarHBondContact O-N 3.48Å; L144-V146 PolarHBondContact O-N 3.31Å; L144-I147 PolarHBondContact O-N 3.46Å; L144-I148 HydrophobicContact CD2-CD1 3.32Å; L144-I148 HydrophobicContact CD2-CG1 4.43Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 VanDerWaalsContact O-CB 3.25Å; L144-I148 WeakPolarHBondContact O-CB 3.45Å; L144-I148 WeakPolarHBondContact O-CD1 3.5Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.42Å |
| 145 | L | 71.8 | Confident | 73.2 | Confident | 61 Ų | 61 | 100.9 Ų | 100.9 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 172.1 | -76.6 | 179.9 | 0 | 0 | 0 | 112.2 | F141 V142 I148 F149 | F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CD1-CG 4.28Å; F141-L145 HydrophobicContact CE1-CD1 3.38Å; F141-L145 HydrophobicContact CE1-CG 4Å; F141-L145 HydrophobicContact CZ-CD1 3.92Å; F141-L145 HydrophobicContact CZ-CD2 4.32Å; F141-L145 HydrophobicContact CZ-CG 4.15Å; F141-L145 WeakPolarHBondContact O-CB 3.49Å; F141-L145 WeakPolarHBondContact O-CG 3.46Å; F141-L145 PolarHBondContact O-N 2.84Å; V142-L145 WeakPolarHBondContact O-CB 3.35Å; V142-L145 PolarHBondContact O-N 2.92Å; L145-I148 CarbonylContact O-C 3.23Å; L145-I148 PolarHBondContact O-N 3.28Å; L145-F149 WeakPolarHBondContact O-CB 3.41Å; L145-F149 VanDerWaalsContact O-CD2 3.31Å; L145-F149 WeakPolarHBondContact O-CD2 3.26Å; L145-F149 PolarHBondContact O-N 2.91Å |
| 146 | V | 74.7 | Confident | 72.5 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 177 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | V142 W143 L144 I148 F149 R150 | V142-V146 HydrophobicContact CG1-CG2 4.48Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.49Å; V142-V146 PolarHBondContact O-N 3.22Å; W143-V146 PolarHBondContact O-N 2.87Å; L144-V146 PolarHBondContact O-N 3.31Å; V146-I148 VanDerWaalsContact C-N 3.33Å; V146-F149 PolarHBondContact O-N 3.38Å; V146-R150 VanDerWaalsContact O-CB 3.26Å; V146-R150 WeakPolarHBondContact O-CB 3.06Å; V146-R150 PolarHBondContact O-N 3.35Å |
| 147 | I | 69.7 | Low | 71.9 | Confident | 71 Ų | 71 | 105.3 Ų | 105.3 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.8 | -70.6 | 173.3 | 0 | 0 | 0 | 111 | W143 L144 R150 S151 | W143-I147 HydrophobicContact CD2-CD1 3.84Å; W143-I147 HydrophobicContact CE3-CD1 3.31Å; W143-I147 HydrophobicContact CE3-CG1 4.4Å; W143-I147 HydrophobicContact CH2-CD1 3.46Å; W143-I147 VanDerWaalsContact CH2-CD1 3.46Å; W143-I147 HydrophobicContact CZ2-CD1 3.95Å; W143-I147 HydrophobicContact CZ3-CD1 3.12Å; W143-I147 HydrophobicContact CZ3-CG1 4.47Å; W143-I147 WeakPolarHBondContact O-CG1 3.36Å; W143-I147 PolarHBondContact O-N 2.9Å; L144-I147 PolarHBondContact O-N 3.46Å; I147-R150 PolarHBondContact O-N 3.11Å; I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 3.29Å |
| 148 | I | 64.1 | Low | 71.6 | Confident | 15 Ų | 15 | 105.6 Ų | 105.6 | 8% | 0.077 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.2 | -73 | 172.6 | 0 | 0 | 0 | 111.4 | L144 L145 V146 S151 I154 L155 L158 | L144-I148 HydrophobicContact CD2-CD1 3.32Å; L144-I148 HydrophobicContact CD2-CG1 4.43Å; L144-I148 HydrophobicContact CG-CD1 3.93Å; L144-I148 VanDerWaalsContact O-CB 3.25Å; L144-I148 WeakPolarHBondContact O-CB 3.45Å; L144-I148 WeakPolarHBondContact O-CD1 3.5Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.42Å; L145-I148 CarbonylContact O-C 3.23Å; L145-I148 PolarHBondContact O-N 3.28Å; V146-I148 VanDerWaalsContact C-N 3.33Å; I148-S151 CarbonylContact O-C 3.53Å; I148-S151 VanDerWaalsContact O-C 3.23Å; I148-S151 PolarHBondContact O-N 3.08Å; I148-I154 HydrophobicContact CG1-CG2 4.05Å; I148-L155 VanDerWaalsContact CG2-CA 3.49Å; I148-L155 HydrophobicContact CG2-CB 3.36Å; I148-L155 HydrophobicContact CG2-CD1 3.77Å; I148-L155 HydrophobicContact CG2-CG 3.39Å; I148-L158 HydrophobicContact CD1-CD1 3.64Å; I148-L158 HydrophobicContact CG1-CD1 3.94Å |
| 149 | F | 62.3 | Low | 71.5 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 61% | 0.605 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.8 | -35.9 | 175.9 | -93.7 | -75.1 | 0 | 0 | 0 | 112.4 | L145 V146 S151 L155 | L145-F149 WeakPolarHBondContact O-CB 3.41Å; L145-F149 VanDerWaalsContact O-CD2 3.31Å; L145-F149 WeakPolarHBondContact O-CD2 3.26Å; L145-F149 PolarHBondContact O-N 2.91Å; V146-F149 PolarHBondContact O-N 3.38Å; F149-S151 VanDerWaalsContact C-N 3.3Å; F149-L155 HydrophobicContact CD1-CD1 4Å; F149-L155 HydrophobicContact CD2-CD1 4.32Å; F149-L155 HydrophobicContact CE1-CD1 3.96Å; F149-L155 HydrophobicContact CE2-CD1 4.27Å; F149-L155 HydrophobicContact CG-CD1 4.18Å; F149-L155 HydrophobicContact CZ-CD1 4.1Å |
| 150 | R | 66.6 | Low | 71.1 | Confident | 229 Ų | 229 | 105.1 Ų | 105.1 | 86% | 0.864 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.9 | -30.9 | 175.4 | -175 | 171.1 | 163.5 | 141.6 | -4.4 | 111.8 | V146 I147 | V146-R150 VanDerWaalsContact O-CB 3.26Å; V146-R150 WeakPolarHBondContact O-CB 3.06Å; V146-R150 PolarHBondContact O-N 3.35Å; I147-R150 PolarHBondContact O-N 3.11Å |
| 151 | S | 60.3 | Low | 71 | Confident | 41 Ų | 41 | 105.5 Ų | 105.5 | 29% | 0.287 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -103.5 | 83.1 | 173.8 | -168.1 | 0 | 0 | 0 | 0 | 110.5 | I147 I148 F149 Y153 I154 L155 | I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 3.29Å; I148-S151 CarbonylContact O-C 3.53Å; I148-S151 VanDerWaalsContact O-C 3.23Å; I148-S151 PolarHBondContact O-N 3.08Å; F149-S151 VanDerWaalsContact C-N 3.3Å; S151-Y153 PolarHBondContact O-N 3.27Å; S151-I154 PolarHBondContact O-N 3.13Å; S151-I154 WeakPolarHBondContact OG-CD1 3.25Å; S151-I154 VanDerWaalsContact OG-CG1 3.3Å; S151-I154 WeakPolarHBondContact OG-CG1 3.08Å; S151-L155 PolarHBondContact O-N 3.26Å |
| 152 | R | 64.5 | Low | 71 | Confident | 212 Ų | 212 | 101 Ų | 101 | 80% | 0.8 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -45.5 | -27.5 | 177.4 | -73.4 | -95.7 | -179.1 | 154.4 | -1.8 | 114 | ||
| 153 | Y | 63 | Low | 71.1 | Confident | 178 Ų | 178 | 101.3 Ų | 101.3 | 70% | 0.698 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -78.9 | -33.6 | 176.9 | -72.7 | -81.8 | 0 | 0 | 0 | 114 | S151 T157 | S151-Y153 PolarHBondContact O-N 3.27Å; Y153-T157 PolarHBondContact O-N 3.26Å; Y153-T157 PolarHBondContact O-OG1 3.46Å; Y153-T157 VanDerWaalsContact O-OG1 3.08Å |
| 154 | I | 63.8 | Low | 71.2 | Confident | 71 Ų | 71 | 96.6 Ų | 96.6 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.3 | -39.3 | -178.8 | -65.7 | 174.2 | 0 | 0 | 0 | 110.6 | I148 S151 F156 T157 L158 | I148-I154 HydrophobicContact CG1-CG2 4.05Å; S151-I154 PolarHBondContact O-N 3.13Å; S151-I154 WeakPolarHBondContact OG-CD1 3.25Å; S151-I154 VanDerWaalsContact OG-CG1 3.3Å; S151-I154 WeakPolarHBondContact OG-CG1 3.08Å; I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.3Å; I154-T157 PolarHBondContact O-N 2.84Å; I154-L158 HydrophobicContact CG2-CD1 3.35Å; I154-L158 HydrophobicContact CG2-CG 3.71Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.87Å |
| 155 | L | 62.5 | Low | 71.5 | Confident | 50 Ų | 50 | 96.8 Ų | 96.8 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.8 | -156.2 | 161.6 | 0 | 0 | 0 | 111.1 | I148 F149 S151 T157 L158 L159 | I148-L155 VanDerWaalsContact CG2-CA 3.49Å; I148-L155 HydrophobicContact CG2-CB 3.36Å; I148-L155 HydrophobicContact CG2-CD1 3.77Å; I148-L155 HydrophobicContact CG2-CG 3.39Å; F149-L155 HydrophobicContact CD1-CD1 4Å; F149-L155 HydrophobicContact CD2-CD1 4.32Å; F149-L155 HydrophobicContact CE1-CD1 3.96Å; F149-L155 HydrophobicContact CE2-CD1 4.27Å; F149-L155 HydrophobicContact CG-CD1 4.18Å; F149-L155 HydrophobicContact CZ-CD1 4.1Å; S151-L155 PolarHBondContact O-N 3.26Å; L155-T157 VanDerWaalsContact C-N 3.25Å; L155-T157 PolarHBondContact O-N 2.76Å; L155-L158 PolarHBondContact O-N 3.43Å; L155-L159 HydrophobicContact CD2-CB 4.28Å; L155-L159 HydrophobicContact CD2-CD1 4.08Å; L155-L159 WeakPolarHBondContact O-CB 3.35Å; L155-L159 PolarHBondContact O-N 2.99Å |
| 156 | F | 68.3 | Low | 72.1 | Confident | 172 Ų | 172 | 99.4 Ų | 99.4 | 75% | 0.754 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -28.4 | -179.2 | -155.5 | -90.1 | 0 | 0 | 0 | 113 | I154 P160 | I154-F156 VanDerWaalsContact C-N 3.31Å; I154-F156 PolarHBondContact O-N 3.3Å; F156-P160 WeakPolarHBondContact O-CD 3.47Å; F156-P160 WeakPolarHBondContact O-CG 3.4Å |
| 157 | T | 71 | Confident | 72.5 | Confident | 97 Ų | 97 | 100 Ų | 100 | 60% | 0.595 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -89 | -38.9 | 176.8 | -51.8 | 0 | 0 | 0 | 0 | 112.6 | Y153 I154 L155 P160 C161 | Y153-T157 PolarHBondContact O-N 3.26Å; Y153-T157 PolarHBondContact O-OG1 3.46Å; Y153-T157 VanDerWaalsContact O-OG1 3.08Å; I154-T157 PolarHBondContact O-N 2.84Å; L155-T157 VanDerWaalsContact C-N 3.25Å; L155-T157 PolarHBondContact O-N 2.76Å; T157-P160 WeakPolarHBondContact O-CD 3.31Å; T157-P160 WeakPolarHBondContact O-CG 3.42Å; T157-C161 VanDerWaalsContact O-CB 3.31Å; T157-C161 WeakPolarHBondContact O-CB 3.09Å; T157-C161 PolarHBondContact O-N 3.39Å |
| 158 | L | 76 | Confident | 73.1 | Confident | 81 Ų | 81 | 100 Ų | 100 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76 | -33.8 | -177.7 | -72 | -175.7 | 0 | 0 | 0 | 113 | I148 I154 L155 C161 G162 | I148-L158 HydrophobicContact CD1-CD1 3.64Å; I148-L158 HydrophobicContact CG1-CD1 3.94Å; I154-L158 HydrophobicContact CG2-CD1 3.35Å; I154-L158 HydrophobicContact CG2-CG 3.71Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.87Å; L155-L158 PolarHBondContact O-N 3.43Å; L158-C161 PolarHBondContact O-N 3.42Å; L158-G162 PolarHBondContact O-N 3.09Å |
| 159 | L | 78 | Confident | 74 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -51.6 | 179 | -169.7 | 119.7 | 0 | 0 | 0 | 112.7 | L155 C161 G162 L163 | L155-L159 HydrophobicContact CD2-CB 4.28Å; L155-L159 HydrophobicContact CD2-CD1 4.08Å; L155-L159 WeakPolarHBondContact O-CB 3.35Å; L155-L159 PolarHBondContact O-N 2.99Å; L159-C161 VanDerWaalsContact C-N 3.33Å; L159-C161 PolarHBondContact O-N 2.84Å; L159-G162 PolarHBondContact O-N 3.45Å; L159-L163 HydrophobicContact CD2-CD1 4.27Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.41Å |
| 160 | P | 77.2 | Confident | 75.1 | Confident | 60 Ų | 60 | 101.6 Ų | 101.6 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 174.1 | 26 | -33.4 | 0 | 0 | 0 | 111.9 | F156 T157 L163 C164 | F156-P160 WeakPolarHBondContact O-CD 3.47Å; F156-P160 WeakPolarHBondContact O-CG 3.4Å; T157-P160 WeakPolarHBondContact O-CD 3.31Å; T157-P160 WeakPolarHBondContact O-CG 3.42Å; P160-L163 PolarHBondContact O-N 3.25Å; P160-C164 PolarHBondContact O-N 3.32Å; P160-C164 PolarHBondContact O-SG 3.34Å |
| 161 | C | 79.1 | Confident | 75.7 | Confident | 63 Ų | 63 | 91.8 Ų | 91.8 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.8 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | T157 L158 L159 L163 C164 I165 | T157-C161 VanDerWaalsContact O-CB 3.31Å; T157-C161 WeakPolarHBondContact O-CB 3.09Å; T157-C161 PolarHBondContact O-N 3.39Å; L158-C161 PolarHBondContact O-N 3.42Å; L159-C161 VanDerWaalsContact C-N 3.33Å; L159-C161 PolarHBondContact O-N 2.84Å; C161-L163 PolarHBondContact O-N 3.05Å; C161-C164 WeakPolarHBondContact O-CB 3.25Å; C161-C164 PolarHBondContact O-N 2.98Å; C161-I165 WeakPolarHBondContact O-CG1 3.48Å; C161-I165 PolarHBondContact O-N 3.42Å |
| 162 | G | 82.7 | Confident | 76.6 | Confident | 30 Ų | 30 | 91.4 Ų | 91.4 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L158 L159 I165 L166 | L158-G162 PolarHBondContact O-N 3.09Å; L159-G162 PolarHBondContact O-N 3.45Å; G162-I165 PolarHBondContact O-N 3.12Å; G162-L166 WeakPolarHBondContact O-CG 3.47Å; G162-L166 PolarHBondContact O-N 3.41Å |
| 163 | L | 82.5 | Confident | 77.4 | Confident | 94 Ų | 94 | 87.6 Ų | 87.6 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.1 | -70.7 | 174 | 0 | 0 | 0 | 111.9 | L159 P160 C161 I165 L166 I167 | L159-L163 HydrophobicContact CD2-CD1 4.27Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.41Å; P160-L163 PolarHBondContact O-N 3.25Å; C161-L163 PolarHBondContact O-N 3.05Å; L163-I165 VanDerWaalsContact C-N 3.33Å; L163-I165 PolarHBondContact O-N 3.45Å; L163-L166 PolarHBondContact O-N 2.89Å; L163-I167 WeakPolarHBondContact O-CB 3.41Å; L163-I167 WeakPolarHBondContact O-CD1 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 2.98Å |
| 164 | C | 79.9 | Confident | 78.3 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 53% | 0.534 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.6 | -70.8 | 0 | 0 | 0 | 0 | 112 | P160 C161 I167 F168 | P160-C164 PolarHBondContact O-N 3.32Å; P160-C164 PolarHBondContact O-SG 3.34Å; C161-C164 WeakPolarHBondContact O-CB 3.25Å; C161-C164 PolarHBondContact O-N 2.98Å; C164-I167 PolarHBondContact O-N 2.86Å; C164-F168 WeakPolarHBondContact O-CB 3.3Å; C164-F168 PolarHBondContact O-N 2.86Å |
| 165 | I | 83.9 | Confident | 79.1 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.4 | -66.4 | 165.3 | 0 | 0 | 0 | 110.7 | C161 G162 L163 I167 F168 C169 | C161-I165 WeakPolarHBondContact O-CG1 3.48Å; C161-I165 PolarHBondContact O-N 3.42Å; G162-I165 PolarHBondContact O-N 3.12Å; L163-I165 VanDerWaalsContact C-N 3.33Å; L163-I165 PolarHBondContact O-N 3.45Å; I165-I167 PolarHBondContact O-N 3.39Å; I165-F168 WeakPolarHBondContact O-CB 3.5Å; I165-F168 PolarHBondContact O-N 3.37Å; I165-C169 PolarHBondContact O-N 3.48Å; I165-C169 PolarHBondContact O-SG 2.91Å; I165-C169 VanDerWaalsContact O-SG 3.36Å |
| 166 | L | 84.4 | Confident | 80 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 61% | 0.613 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.5 | -41.3 | 177.9 | -72 | 174.6 | 0 | 0 | 0 | 112.1 | G162 L163 F168 C169 Q170 | G162-L166 WeakPolarHBondContact O-CG 3.47Å; G162-L166 PolarHBondContact O-N 3.41Å; L163-L166 PolarHBondContact O-N 2.89Å; L166-F168 VanDerWaalsContact C-N 3.32Å; L166-C169 PolarHBondContact O-N 3.49Å; L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 PolarHBondContact O-N 3.39Å |
| 167 | I | 83.4 | Confident | 80.6 | Confident | 99 Ų | 99 | 76 Ų | 76 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175 | -68.5 | 164.3 | 0 | 0 | 0 | 110.4 | L163 C164 I165 Q170 S171 L246 | L163-I167 WeakPolarHBondContact O-CB 3.41Å; L163-I167 WeakPolarHBondContact O-CD1 3.25Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 2.98Å; C164-I167 PolarHBondContact O-N 2.86Å; I165-I167 PolarHBondContact O-N 3.39Å; I167-Q170 PolarHBondContact O-N 3.47Å; I167-S171 WeakPolarHBondContact O-CB 3.18Å; I167-S171 PolarHBondContact O-N 3.06Å; I167-S171 PolarHBondContact O-OG 3.05Å; I167-L246 HydrophobicContact CG2-CD1 3.89Å; I167-L246 HydrophobicContact CG2-CG 4.34Å |
| 168 | F | 82.5 | Confident | 81.1 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 31% | 0.307 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 174.6 | -179.3 | -96.2 | 0 | 0 | 0 | 112.4 | C164 I165 L166 Q170 S171 V172 L239 I242 L246 | C164-F168 WeakPolarHBondContact O-CB 3.3Å; C164-F168 PolarHBondContact O-N 2.86Å; I165-F168 WeakPolarHBondContact O-CB 3.5Å; I165-F168 PolarHBondContact O-N 3.37Å; L166-F168 VanDerWaalsContact C-N 3.32Å; F168-Q170 VanDerWaalsContact C-N 3.3Å; F168-Q170 PolarHBondContact O-N 2.97Å; F168-S171 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-OG 2.72Å; F168-V172 HydrophobicContact CD1-CG2 4.18Å; F168-V172 HydrophobicContact CE1-CG2 3.81Å; F168-V172 HydrophobicContact CE2-CG2 4.36Å; F168-V172 HydrophobicContact CZ-CG2 3.9Å; F168-V172 VanDerWaalsContact O-CG2 3.25Å; F168-V172 WeakPolarHBondContact O-CG2 3.47Å; F168-V172 PolarHBondContact O-N 2.94Å; F168-L239 HydrophobicContact CZ-CD2 4.19Å; F168-I242 HydrophobicContact CD2-CG2 4.27Å; F168-I242 HydrophobicContact CE2-CG2 3.95Å; F168-L246 HydrophobicContact CB-CD2 4.21Å; F168-L246 HydrophobicContact CD2-CD2 4.13Å |
| 169 | C | 82.9 | Confident | 81.1 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 47% | 0.473 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 175.6 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | I165 L166 V172 Y173 | I165-C169 PolarHBondContact O-N 3.48Å; I165-C169 PolarHBondContact O-SG 2.91Å; I165-C169 VanDerWaalsContact O-SG 3.36Å; L166-C169 PolarHBondContact O-N 3.49Å; C169-V172 PolarHBondContact O-N 3.36Å; C169-Y173 VanDerWaalsContact O-CB 3.3Å; C169-Y173 WeakPolarHBondContact O-CB 3.35Å; C169-Y173 PolarHBondContact O-N 3.21Å |
| 170 | Q | 84.2 | Confident | 81.2 | Confident | 117 Ų | 117 | 70.4 Ų | 70.4 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 177.3 | -175.2 | 66.7 | -1.3 | 0 | 0 | 112.1 | L166 I167 F168 Y173 T174 | L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 PolarHBondContact O-N 3.39Å; I167-Q170 PolarHBondContact O-N 3.47Å; F168-Q170 VanDerWaalsContact C-N 3.3Å; F168-Q170 PolarHBondContact O-N 2.97Å; Q170-Y173 PolarHBondContact O-N 3.36Å; Q170-T174 VanDerWaalsContact O-CG2 3.31Å; Q170-T174 WeakPolarHBondContact O-CG2 3.49Å; Q170-T174 PolarHBondContact O-N 2.81Å; Q170-T174 PolarHBondContact O-OG1 2.67Å |
| 171 | S | 79.5 | Confident | 81.2 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67 | -40.6 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | I167 F168 T174 K175 I242 L246 | I167-S171 WeakPolarHBondContact O-CB 3.18Å; I167-S171 PolarHBondContact O-N 3.06Å; I167-S171 PolarHBondContact O-OG 3.05Å; F168-S171 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-OG 2.72Å; S171-T174 WeakPolarHBondContact CA-OG1 3.39Å; S171-T174 PolarHBondContact O-OG1 3.38Å; S171-K175 WeakPolarHBondContact O-CB 3.46Å; S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.74Å; S171-K175 VanDerWaalsContact O-N 3.1Å; S171-I242 WeakPolarHBondContact OG-CG2 3.35Å; S171-L246 WeakPolarHBondContact OG-CD1 3.29Å |
| 172 | V | 79.4 | Confident | 81.1 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | F168 C169 T174 K175 Y176 I242 | F168-V172 HydrophobicContact CD1-CG2 4.18Å; F168-V172 HydrophobicContact CE1-CG2 3.81Å; F168-V172 HydrophobicContact CE2-CG2 4.36Å; F168-V172 HydrophobicContact CZ-CG2 3.9Å; F168-V172 VanDerWaalsContact O-CG2 3.25Å; F168-V172 WeakPolarHBondContact O-CG2 3.47Å; F168-V172 PolarHBondContact O-N 2.94Å; C169-V172 PolarHBondContact O-N 3.36Å; V172-T174 PolarHBondContact O-N 2.94Å; V172-K175 PolarHBondContact O-N 3.1Å; V172-Y176 VanDerWaalsContact O-CB 3.31Å; V172-Y176 WeakPolarHBondContact O-CB 3.49Å; V172-Y176 PolarHBondContact O-N 2.88Å; V172-I242 HydrophobicContact CG2-CD1 4.06Å; V172-I242 HydrophobicContact CG2-CG2 4.27Å |
| 173 | Y | 82.1 | Confident | 80.7 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 52% | 0.518 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | -178.2 | -178.6 | -105.8 | 0 | 0 | 0 | 112.8 | C169 Q170 Y176 N177 | C169-Y173 VanDerWaalsContact O-CB 3.3Å; C169-Y173 WeakPolarHBondContact O-CB 3.35Å; C169-Y173 PolarHBondContact O-N 3.21Å; Q170-Y173 PolarHBondContact O-N 3.36Å; Y173-Y176 WeakPolarHBondContact O-CB 3.05Å; Y173-Y176 PolarHBondContact O-N 3.25Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.38Å; Y173-N177 PolarHBondContact O-N 3.28Å; Y173-N177 PolarHBondContact OH-ND2 2.89Å |
| 174 | T | 81.9 | Confident | 80.2 | Confident | 72 Ų | 72 | 76.7 Ų | 76.7 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | Q170 S171 V172 N177 A178 | Q170-T174 VanDerWaalsContact O-CG2 3.31Å; Q170-T174 WeakPolarHBondContact O-CG2 3.49Å; Q170-T174 PolarHBondContact O-N 2.81Å; Q170-T174 PolarHBondContact O-OG1 2.67Å; S171-T174 WeakPolarHBondContact CA-OG1 3.39Å; S171-T174 PolarHBondContact O-OG1 3.38Å; V172-T174 PolarHBondContact O-N 2.94Å; T174-N177 PolarHBondContact O-N 2.81Å; T174-A178 WeakPolarHBondContact O-CB 3.25Å; T174-A178 PolarHBondContact O-N 3.37Å |
| 175 | K | 79.9 | Confident | 79.9 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 18% | 0.183 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 173.7 | -76.4 | -77.9 | -176 | 164.5 | 0 | 112.4 | S171 V172 N177 A178 R179 T237 E241 I242 E245 | S171-K175 WeakPolarHBondContact O-CB 3.46Å; S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.74Å; S171-K175 VanDerWaalsContact O-N 3.1Å; V172-K175 PolarHBondContact O-N 3.1Å; K175-N177 PolarHBondContact O-N 2.86Å; K175-A178 PolarHBondContact O-N 2.85Å; K175-R179 WeakPolarHBondContact O-CG 3.23Å; K175-R179 PolarHBondContact O-N 3.36Å; K175-T237 HydrophobicContact CB-CG2 4.26Å; K175-E241 IonicContact NZ-OE1 2.71Å; K175-E241 PolarHBondContact NZ-OE1 2.75Å; K175-I242 HydrophobicContact CG-CG1 4.43Å; K175-E245 WeakPolarHBondContact CE-OE2 3.32Å; K175-E245 IonicContact NZ-OE2 2.72Å; K175-E245 PolarHBondContact NZ-OE2 3.12Å |
| 176 | Y | 81.3 | Confident | 79.3 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 174.2 | 175.9 | -90.1 | 0 | 0 | 0 | 110.8 | V172 Y173 A178 R179 L180 P233 F234 | V172-Y176 VanDerWaalsContact O-CB 3.31Å; V172-Y176 WeakPolarHBondContact O-CB 3.49Å; V172-Y176 PolarHBondContact O-N 2.88Å; Y173-Y176 WeakPolarHBondContact O-CB 3.05Å; Y173-Y176 PolarHBondContact O-N 3.25Å; Y176-A178 PolarHBondContact O-N 2.76Å; Y176-R179 PolarHBondContact O-N 3.45Å; Y176-L180 HydrophobicContact CE1-CD2 4.08Å; Y176-L180 WeakPolarHBondContact O-CB 3.47Å; Y176-L180 PolarHBondContact O-N 3.32Å; Y176-P233 HydrophobicContact CD2-CB 4.1Å; Y176-P233 HydrophobicContact CD2-CG 4.21Å; Y176-P233 HydrophobicContact CE2-CB 3.91Å; Y176-P233 HydrophobicContact CE2-CG 3.5Å; Y176-F234 HydrophobicContact CD2-CD1 4.25Å; Y176-F234 HydrophobicContact CD2-CD2 4.45Å; Y176-F234 AromaticContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE2 4.1Å; Y176-F234 AromaticContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CE2-CD1 4.49Å; Y176-F234 AromaticContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CE1 4.08Å; Y176-F234 AromaticContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CE2 3.45Å; Y176-F234 VanDerWaalsContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CG 4.42Å; Y176-F234 AromaticContact CE2-CZ 3.53Å; Y176-F234 HydrophobicContact CE2-CZ 3.53Å |
| 177 | N | 80.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 71 Ų | 71 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.8 | -76.7 | -17.9 | 0 | 0 | 0 | 112.8 | Y173 T174 K175 R179 L180 A181 | Y173-N177 WeakPolarHBondContact CE1-ND2 3.38Å; Y173-N177 PolarHBondContact O-N 3.28Å; Y173-N177 PolarHBondContact OH-ND2 2.89Å; T174-N177 PolarHBondContact O-N 2.81Å; K175-N177 PolarHBondContact O-N 2.86Å; N177-R179 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 3.41Å; N177-L180 PolarHBondContact O-N 3.42Å; N177-A181 WeakPolarHBondContact O-CB 3.4Å; N177-A181 PolarHBondContact O-N 3.38Å |
| 178 | A | 81.1 | Confident | 77.8 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | T174 K175 Y176 R182 | T174-A178 WeakPolarHBondContact O-CB 3.25Å; T174-A178 PolarHBondContact O-N 3.37Å; K175-A178 PolarHBondContact O-N 2.85Å; Y176-A178 PolarHBondContact O-N 2.76Å; A178-R182 PolarHBondContact O-N 3.19Å; A178-R182 VanDerWaalsContact O-N 3.09Å |
| 179 | R | 76.4 | Confident | 77.1 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -77.2 | -38.3 | 178 | -67.8 | -176.3 | -173.5 | -172.7 | 2.2 | 112.5 | K175 Y176 N177 A181 R182 K183 S236 E241 | K175-R179 WeakPolarHBondContact O-CG 3.23Å; K175-R179 PolarHBondContact O-N 3.36Å; Y176-R179 PolarHBondContact O-N 3.45Å; N177-R179 VanDerWaalsContact C-N 3.29Å; N177-R179 PolarHBondContact O-N 3.41Å; R179-A181 VanDerWaalsContact C-N 3.28Å; R179-A181 PolarHBondContact O-N 2.91Å; R179-R182 WeakPolarHBondContact O-CB 3.35Å; R179-R182 PolarHBondContact O-N 3.4Å; R179-R182 VanDerWaalsContact O-N 3.12Å; R179-K183 WeakPolarHBondContact O-CG 3.28Å; R179-K183 PolarHBondContact O-N 3.44Å; R179-S236 PolarHBondContact NH1-O 2.82Å; R179-S236 PolarHBondContact NH1-OG 3.35Å; R179-E241 IonicContact NH2-OE2 3.7Å; R179-E241 PolarHBondContact NH2-OE2 3.28Å; R179-E241 VanDerWaalsContact NH2-OE2 3.11Å |
| 180 | L | 80.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 77 Ų | 77 | 29% | 0.293 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 171.4 | -177.4 | 61.2 | 0 | 0 | 0 | 110.9 | Y176 N177 R182 K183 M184 | Y176-L180 HydrophobicContact CE1-CD2 4.08Å; Y176-L180 WeakPolarHBondContact O-CB 3.47Å; Y176-L180 PolarHBondContact O-N 3.32Å; N177-L180 PolarHBondContact O-N 3.42Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.2Å; L180-K183 PolarHBondContact O-N 3.19Å; L180-M184 HydrophobicContact CD1-CE 4.21Å; L180-M184 WeakPolarHBondContact O-CG 3.03Å; L180-M184 PolarHBondContact O-N 3.22Å |
| 181 | A | 77.1 | Confident | 75.1 | Confident | 59 Ų | 59 | 80 Ų | 80 | 49% | 0.488 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N177 R179 M184 S185 | N177-A181 WeakPolarHBondContact O-CB 3.4Å; N177-A181 PolarHBondContact O-N 3.38Å; R179-A181 VanDerWaalsContact C-N 3.28Å; R179-A181 PolarHBondContact O-N 2.91Å; A181-M184 PolarHBondContact O-N 3.42Å; A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 3.27Å |
| 182 | R | 76.7 | Confident | 74.4 | Confident | 174 Ų | 174 | 79.9 Ų | 79.9 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 174.5 | -169.3 | 175.1 | -177.9 | 143.4 | -2.4 | 111.6 | A178 R179 L180 S185 V186 | A178-R182 PolarHBondContact O-N 3.19Å; A178-R182 VanDerWaalsContact O-N 3.09Å; R179-R182 WeakPolarHBondContact O-CB 3.35Å; R179-R182 PolarHBondContact O-N 3.4Å; R179-R182 VanDerWaalsContact O-N 3.12Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.2Å; R182-S185 PolarHBondContact O-N 2.91Å; R182-S185 PolarHBondContact O-OG 3.49Å; R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.23Å |
| 183 | K | 73.4 | Confident | 73.6 | Confident | 33 Ų | 33 | 80.1 Ų | 80.1 | 14% | 0.143 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 175.5 | -68.9 | -174.8 | -175.5 | -121.8 | 0 | 111.7 | R179 L180 S185 V186 L187 E228 S231 | R179-K183 WeakPolarHBondContact O-CG 3.28Å; R179-K183 PolarHBondContact O-N 3.44Å; L180-K183 PolarHBondContact O-N 3.19Å; K183-S185 VanDerWaalsContact C-N 3.28Å; K183-S185 PolarHBondContact O-N 3.07Å; K183-V186 PolarHBondContact O-N 3.38Å; K183-L187 WeakPolarHBondContact O-CB 3.46Å; K183-L187 PolarHBondContact O-N 2.77Å; K183-E228 PolarHBondContact NZ-O 3.48Å; K183-S231 PolarHBondContact NZ-O 2.98Å; K183-S231 PolarHBondContact NZ-OG 3.45Å; K183-S231 VanDerWaalsContact NZ-OG 3.13Å |
| 184 | M | 73.2 | Confident | 72.7 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62 | -35.4 | 176.5 | -69.7 | -64 | 179 | 0 | 0 | 112.2 | L180 A181 S188 | L180-M184 HydrophobicContact CD1-CE 4.21Å; L180-M184 WeakPolarHBondContact O-CG 3.03Å; L180-M184 PolarHBondContact O-N 3.22Å; A181-M184 PolarHBondContact O-N 3.42Å; M184-S188 VanDerWaalsContact O-CB 3.27Å; M184-S188 WeakPolarHBondContact O-CB 3.33Å; M184-S188 PolarHBondContact O-N 3.31Å; M184-S188 PolarHBondContact O-OG 2.76Å |
| 185 | S | 73.1 | Confident | 71.9 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 176.8 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | A181 R182 K183 S188 R189 | A181-S185 WeakPolarHBondContact O-CB 3.34Å; A181-S185 PolarHBondContact O-N 3.27Å; R182-S185 PolarHBondContact O-N 2.91Å; R182-S185 PolarHBondContact O-OG 3.49Å; K183-S185 VanDerWaalsContact C-N 3.28Å; K183-S185 PolarHBondContact O-N 3.07Å; S185-S188 WeakPolarHBondContact CA-OG 3.21Å; S185-S188 PolarHBondContact O-N 2.72Å; S185-S188 PolarHBondContact O-OG 2.61Å; S185-R189 WeakPolarHBondContact O-CG 3.24Å; S185-R189 PolarHBondContact O-N 3.49Å |
| 186 | V | 70.8 | Confident | 71.2 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | R182 K183 S188 R189 H190 Y225 | R182-V186 WeakPolarHBondContact O-CG2 3.3Å; R182-V186 PolarHBondContact O-N 3.23Å; K183-V186 PolarHBondContact O-N 3.38Å; V186-S188 VanDerWaalsContact C-N 3.31Å; V186-S188 PolarHBondContact O-N 3.13Å; V186-R189 PolarHBondContact O-N 3.33Å; V186-H190 PolarHBondContact O-N 2.93Å; V186-H190 PolarHBondContact O-ND1 3.26Å; V186-Y225 HydrophobicContact CG1-CD2 4.4Å; V186-Y225 HydrophobicContact CG1-CE2 3.95Å |
| 187 | L | 68.5 | Low | 70.6 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -33.2 | 176.3 | -173.1 | 62.3 | 0 | 0 | 0 | 112.2 | K183 R189 H190 L229 | K183-L187 WeakPolarHBondContact O-CB 3.46Å; K183-L187 PolarHBondContact O-N 2.77Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 2.99Å; L187-H190 CarbonylContact O-C 3.54Å; L187-L229 HydrophobicContact CD1-CD2 4.33Å |
| 188 | S | 68.4 | Low | 69.9 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 62% | 0.622 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.5 | -24.9 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | M184 S185 V186 | M184-S188 VanDerWaalsContact O-CB 3.27Å; M184-S188 WeakPolarHBondContact O-CB 3.33Å; M184-S188 PolarHBondContact O-N 3.31Å; M184-S188 PolarHBondContact O-OG 2.76Å; S185-S188 WeakPolarHBondContact CA-OG 3.21Å; S185-S188 PolarHBondContact O-N 2.72Å; S185-S188 PolarHBondContact O-OG 2.61Å; V186-S188 VanDerWaalsContact C-N 3.31Å; V186-S188 PolarHBondContact O-N 3.13Å |
| 189 | R | 67.1 | Low | 69.1 | Low | 200 Ų | 200 | 76.5 Ų | 76.5 | 76% | 0.755 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -79.5 | -27.7 | 178.9 | -77.9 | -180 | 177.5 | 168.8 | -0.1 | 112.8 | S185 V186 L187 | S185-R189 WeakPolarHBondContact O-CG 3.24Å; S185-R189 PolarHBondContact O-N 3.49Å; V186-R189 PolarHBondContact O-N 3.33Å; L187-R189 VanDerWaalsContact C-N 3.29Å; L187-R189 PolarHBondContact O-N 2.99Å |
| 190 | H | 64.8 | Low | 68.6 | Low | 75 Ų | 75 | 81 Ų | 81 | 35% | 0.347 | 43% | 0.429 | S | S | . | . | trans | -124 | 115 | -177.9 | -50.9 | 77.2 | 0 | 0 | 0 | 108.1 | V186 L187 G192 | V186-H190 PolarHBondContact O-N 2.93Å; V186-H190 PolarHBondContact O-ND1 3.26Å; L187-H190 CarbonylContact O-C 3.54Å; H190-G192 CarbonylContact C-O 3.59Å; H190-G192 WeakPolarHBondContact CB-O 3.36Å; H190-G192 PolarHBondContact O-N 3.42Å | ||
| 191 | N | 61.6 | Low | 67.8 | Low | 180 Ų | 180 | 89.6 Ų | 89.6 | 96% | 0.963 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -68.8 | 40 | 175.5 | -74.9 | -25.5 | 0 | 0 | 0 | 112.5 | ||
| 192 | G | 63.1 | Low | 67.2 | Low | 22 Ų | 22 | 93.1 Ų | 93.1 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | S | Bend | trans | 137.2 | 176.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H190 Y225 | H190-G192 CarbonylContact C-O 3.59Å; H190-G192 WeakPolarHBondContact CB-O 3.36Å; H190-G192 PolarHBondContact O-N 3.42Å; G192-Y225 PolarHBondContact O-OH 3.4Å |
| 193 | P | 63 | Low | 66.7 | Low | 38 Ų | 38 | 86.3 Ų | 86.3 | 25% | 0.247 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -55.9 | 150.2 | 174.2 | 23.3 | -32 | 0 | 0 | 0 | 111.6 | C197 K198 Y225 | P193-C197 HydrophobicContact CB-CB 4.26Å; P193-K198 HydrophobicContact CG-CG 3.94Å; P193-K198 WeakPolarHBondContact O-CE 3.02Å; P193-Y225 HydrophobicContact CB-CD1 4.49Å; P193-Y225 HydrophobicContact CB-CE1 3.84Å |
| 194 | P | 64.6 | Low | 66.8 | Low | 32 Ų | 32 | 88.1 Ų | 88.1 | 21% | 0.208 | 45% | 0.454 | C | S | . | . | trans | -47.9 | 146.8 | 171 | -23.4 | 30.7 | 0 | 0 | 0 | 110.6 | D196 C197 K198 Y225 | P194-D196 PolarHBondContact O-N 3.48Å; P194-C197 PolarHBondContact O-N 3.48Å; P194-K198 PolarHBondContact O-N 2.99Å; P194-Y225 HydrophobicContact CG-CD2 4.18Å; P194-Y225 HydrophobicContact CG-CE2 4.3Å; P194-Y225 HydrophobicContact CG-CG 4.34Å | ||
| 195 | D | 64.9 | Low | 66.9 | Low | 72 Ų | 72 | 93.3 Ų | 93.3 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -55.7 | -30.5 | -175.9 | -73.6 | -31.4 | 0 | 0 | 0 | 112.7 | C197 K198 Q203 Q207 | D195-C197 VanDerWaalsContact C-N 3.29Å; D195-C197 PolarHBondContact O-N 3.36Å; D195-K198 PolarHBondContact O-N 3.46Å; D195-K198 IonicContact OD1-NZ 2.93Å; D195-K198 PolarHBondContact OD1-NZ 3.36Å; D195-Q203 PolarHBondContact O-NE2 3.03Å; D195-Q207 PolarHBondContact OD2-NE2 3.07Å |
| 196 | D | 65.7 | Low | 66.9 | Low | 81 Ų | 81 | 95.3 Ų | 95.3 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -70.2 | -24.3 | 177.6 | -55.4 | -25 | 0 | 0 | 0 | 113.4 | P194 Q203 N211 | P194-D196 PolarHBondContact O-N 3.48Å; D196-Q203 PolarHBondContact O-NE2 3.22Å; D196-N211 PolarHBondContact OD1-ND2 3.39Å; D196-N211 PolarHBondContact OD1-OD1 2.99Å |
| 197 | C | 67 | Low | 66.7 | Low | 17 Ų | 17 | 95.3 Ų | 95.3 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -100.6 | 0.5 | -176.4 | -51.6 | 0 | 0 | 0 | 0 | 113.5 | P193 P194 D195 C222 Y226 | P193-C197 HydrophobicContact CB-CB 4.26Å; P194-C197 PolarHBondContact O-N 3.48Å; D195-C197 VanDerWaalsContact C-N 3.29Å; D195-C197 PolarHBondContact O-N 3.36Å; C197-C222 WeakPolarHBondContact CA-SG 3.36Å; C197-C222 HydrophobicContact CB-CB 3.75Å; C197-C222 WeakPolarHBondContact CB-SG 3.03Å; C197-C222 WeakPolarHBondContact SG-CA 3.33Å; C197-C222 WeakPolarHBondContact SG-CB 3.27Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 3.43Å; C197-Y226 HydrophobicContact CB-CE2 4.18Å; C197-Y226 PolarHBondContact O-OH 3.47Å |
| 198 | K | 66.5 | Low | 66.8 | Low | 62 Ų | 62 | 93.9 Ų | 93.9 | 27% | 0.27 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -73.2 | 143.9 | 175.3 | -75.6 | 175.1 | -175.6 | 164.9 | 0 | 110 | P193 P194 D195 H202 Q203 | P193-K198 HydrophobicContact CG-CG 3.94Å; P193-K198 WeakPolarHBondContact O-CE 3.02Å; P194-K198 PolarHBondContact O-N 2.99Å; D195-K198 PolarHBondContact O-N 3.46Å; D195-K198 IonicContact OD1-NZ 2.93Å; D195-K198 PolarHBondContact OD1-NZ 3.36Å; K198-H202 HydrophobicContact CB-CB 4.39Å; K198-Q203 HydrophobicContact CB-CG 4.16Å; K198-Q203 PolarHBondContact O-NE2 3.49Å |
| 199 | P | 65.6 | Low | 67.1 | Low | 80 Ų | 80 | 94.6 Ų | 94.6 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | trans | -54.6 | 145.2 | 170.7 | -18.5 | 27.8 | 0 | 0 | 0 | 110.4 | R201 H202 | P199-R201 PolarHBondContact O-N 3.2Å; P199-H202 PolarHBondContact O-N 2.85Å | ||
| 200 | L | 64.8 | Low | 67.3 | Low | 144 Ų | 144 | 87 Ų | 87 | 75% | 0.754 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -47.3 | -31.5 | 179.7 | -105.9 | 70.8 | 0 | 0 | 0 | 113.5 | H202 Q203 | L200-H202 PolarHBondContact O-N 3.17Å; L200-Q203 PolarHBondContact O-N 2.66Å |
| 201 | R | 63.5 | Low | 67.4 | Low | 238 Ų | 238 | 85.7 Ų | 85.7 | 90% | 0.898 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.5 | 178.6 | -159.1 | 178.7 | -164.8 | -175.2 | 4.5 | 114.2 | P199 | P199-R201 PolarHBondContact O-N 3.2Š|
| 202 | H | 64.3 | Low | 67.9 | Low | 133 Ų | 133 | 86.7 Ų | 86.7 | 62% | 0.616 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -112.1 | 4.4 | -178 | -63.1 | -63.1 | 0 | 0 | 0 | 113.3 | K198 P199 L200 | K198-H202 HydrophobicContact CB-CB 4.39Å; P199-H202 PolarHBondContact O-N 2.85Å; L200-H202 PolarHBondContact O-N 3.17Å |
| 203 | Q | 66.2 | Low | 68.3 | Low | 30 Ų | 30 | 93.2 Ų | 93.2 | 14% | 0.14 | 46% | 0.462 | C | S | . | . | trans | -91.9 | 137.1 | 177 | -71.6 | 179.1 | -29 | 0 | 0 | 110.5 | D195 D196 K198 L200 V208 | D195-Q203 PolarHBondContact O-NE2 3.03Å; D196-Q203 PolarHBondContact O-NE2 3.22Å; K198-Q203 HydrophobicContact CB-CG 4.16Å; K198-Q203 PolarHBondContact O-NE2 3.49Å; L200-Q203 PolarHBondContact O-N 2.66Å; Q203-V208 HydrophobicContact CB-CG2 4.09Å | ||
| 204 | T | 75.8 | Confident | 68.6 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | trans | -74.4 | 149.8 | 168.7 | 56.7 | 0 | 0 | 0 | 0 | 110 | S206 Q207 V208 | T204-S206 PolarHBondContact O-N 2.89Å; T204-S206 VanDerWaalsContact O-N 3.12Å; T204-S206 PolarHBondContact OG1-OG 2.86Å; T204-S206 VanDerWaalsContact OG1-OG 3.06Å; T204-Q207 WeakPolarHBondContact O-CA 3.43Å; T204-Q207 WeakPolarHBondContact O-CB 3.31Å; T204-Q207 PolarHBondContact O-N 3.49Å; T204-Q207 VanDerWaalsContact OG1-CG 3.24Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.48Å; T204-Q207 PolarHBondContact OG1-OE1 3.38Å; T204-V208 PolarHBondContact O-N 2.92Å; T204-V208 VanDerWaalsContact O-N 3.14Å | ||
| 205 | W | 74.9 | Confident | 68.4 | Low | 220 Ų | 220 | 98.8 Ų | 98.8 | 83% | 0.833 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54.8 | -33.1 | 178.6 | -78.5 | 104.6 | 0 | 0 | 0 | 113.5 | Q207 V208 L209 | W205-Q207 VanDerWaalsContact C-N 3.33Å; W205-Q207 PolarHBondContact O-N 2.82Å; W205-V208 PolarHBondContact O-N 3.4Å; W205-L209 PolarHBondContact O-N 3.42Å; W205-L209 VanDerWaalsContact O-N 3.1Å |
| 206 | S | 73.7 | Confident | 68.2 | Low | 91 Ų | 91 | 104.3 Ų | 104.3 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -36.6 | 173.2 | 43.1 | 0 | 0 | 0 | 0 | 113.2 | T204 G210 | T204-S206 PolarHBondContact O-N 2.89Å; T204-S206 VanDerWaalsContact O-N 3.12Å; T204-S206 PolarHBondContact OG1-OG 2.86Å; T204-S206 VanDerWaalsContact OG1-OG 3.06Å; S206-G210 PolarHBondContact O-N 2.88Å |
| 207 | Q | 67.1 | Low | 67.9 | Low | 44 Ų | 44 | 104.7 Ų | 104.7 | 21% | 0.206 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -72.7 | -40.3 | 177.4 | -71.5 | 162.3 | -30.6 | 0 | 0 | 111.2 | D195 T204 W205 L209 G210 N211 | D195-Q207 PolarHBondContact OD2-NE2 3.07Å; T204-Q207 WeakPolarHBondContact O-CA 3.43Å; T204-Q207 WeakPolarHBondContact O-CB 3.31Å; T204-Q207 PolarHBondContact O-N 3.49Å; T204-Q207 VanDerWaalsContact OG1-CG 3.24Å; T204-Q207 WeakPolarHBondContact OG1-CG 3.48Å; T204-Q207 PolarHBondContact OG1-OE1 3.38Å; W205-Q207 VanDerWaalsContact C-N 3.33Å; W205-Q207 PolarHBondContact O-N 2.82Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.45Å; Q207-G210 PolarHBondContact O-N 3.41Å; Q207-N211 WeakPolarHBondContact O-CB 3.22Å; Q207-N211 PolarHBondContact O-N 3.18Å; Q207-N211 PolarHBondContact O-OD1 3.36Å |
| 208 | V | 70.8 | Confident | 67.5 | Low | 51 Ų | 51 | 105.6 Ų | 105.6 | 31% | 0.309 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.9 | 178 | 0 | 0 | 0 | 0 | 111 | Q203 T204 W205 N211 Y212 | Q203-V208 HydrophobicContact CB-CG2 4.09Å; T204-V208 PolarHBondContact O-N 2.92Å; T204-V208 VanDerWaalsContact O-N 3.14Å; W205-V208 PolarHBondContact O-N 3.4Å; V208-N211 PolarHBondContact O-N 2.72Å; V208-Y212 PolarHBondContact O-N 3.01Å; V208-Y212 VanDerWaalsContact O-N 3.1Å |
| 209 | L | 73.3 | Confident | 67.3 | Low | 105 Ų | 105 | 109.1 Ų | 109.1 | 55% | 0.55 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -45.8 | 176.8 | -122.5 | 76.3 | 0 | 0 | 0 | 112.1 | W205 Q207 N211 Y212 F213 | W205-L209 PolarHBondContact O-N 3.42Å; W205-L209 VanDerWaalsContact O-N 3.1Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.45Å; L209-N211 PolarHBondContact O-N 3.39Å; L209-Y212 WeakPolarHBondContact O-CB 3.33Å; L209-Y212 PolarHBondContact O-N 3.35Å; L209-Y212 VanDerWaalsContact O-N 3.15Å; L209-F213 HydrophobicContact CG-CE2 4.34Å; L209-F213 VanDerWaalsContact O-CD2 3.25Å; L209-F213 WeakPolarHBondContact O-CD2 3.44Å; L209-F213 PolarHBondContact O-N 2.82Å |
| 210 | G | 73 | Confident | 67.4 | Low | 39 Ų | 39 | 110.9 Ų | 110.9 | 40% | 0.402 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.4 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S206 Q207 F213 S214 | S206-G210 PolarHBondContact O-N 2.88Å; Q207-G210 PolarHBondContact O-N 3.41Å; G210-F213 PolarHBondContact O-N 2.98Å; G210-S214 WeakPolarHBondContact O-CB 3Å; G210-S214 PolarHBondContact O-N 2.72Å |
| 211 | N | 66.7 | Low | 67.6 | Low | 48 Ų | 48 | 110.3 Ų | 110.3 | 26% | 0.257 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -72.6 | -32 | 179.4 | -68.2 | 0.4 | 0 | 0 | 0 | 112.6 | D196 Q207 V208 L209 F213 S214 | D196-N211 PolarHBondContact OD1-ND2 3.39Å; D196-N211 PolarHBondContact OD1-OD1 2.99Å; Q207-N211 WeakPolarHBondContact O-CB 3.22Å; Q207-N211 PolarHBondContact O-N 3.18Å; Q207-N211 PolarHBondContact O-OD1 3.36Å; V208-N211 PolarHBondContact O-N 2.72Å; L209-N211 PolarHBondContact O-N 3.39Å; N211-F213 VanDerWaalsContact C-N 3.32Å; N211-F213 PolarHBondContact O-N 3.44Å; N211-S214 PolarHBondContact O-N 3.37Å |
| 212 | Y | 70.7 | Confident | 68 | Low | 202 Ų | 202 | 99.9 Ų | 99.9 | 79% | 0.792 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -34.6 | 173.9 | -163.7 | -93.8 | 0 | 0 | 0 | 112.5 | V208 L209 | V208-Y212 PolarHBondContact O-N 3.01Å; V208-Y212 VanDerWaalsContact O-N 3.1Å; L209-Y212 WeakPolarHBondContact O-CB 3.33Å; L209-Y212 PolarHBondContact O-N 3.35Å; L209-Y212 VanDerWaalsContact O-N 3.15Å |
| 213 | F | 72.5 | Confident | 68.3 | Low | 159 Ų | 159 | 96.3 Ų | 96.3 | 70% | 0.697 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -88.9 | -11.5 | 178.1 | -72.8 | -71.8 | 0 | 0 | 0 | 114.2 | L209 G210 N211 S215 | L209-F213 HydrophobicContact CG-CE2 4.34Å; L209-F213 VanDerWaalsContact O-CD2 3.25Å; L209-F213 WeakPolarHBondContact O-CD2 3.44Å; L209-F213 PolarHBondContact O-N 2.82Å; G210-F213 PolarHBondContact O-N 2.98Å; N211-F213 VanDerWaalsContact C-N 3.32Å; N211-F213 PolarHBondContact O-N 3.44Å; F213-S215 PolarHBondContact O-N 3.32Å |
| 214 | S | 68.1 | Low | 68.5 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | trans | -78.8 | 113.5 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | G210 N211 R216 | G210-S214 WeakPolarHBondContact O-CB 3Å; G210-S214 PolarHBondContact O-N 2.72Å; N211-S214 PolarHBondContact O-N 3.37Å; S214-R216 PolarHBondContact O-N 2.88Å; S214-R216 VanDerWaalsContact O-N 3.1Å | ||
| 215 | S | 60.7 | Low | 68.2 | Low | 129 Ų | 129 | 98.6 Ų | 98.6 | 90% | 0.902 | 52% | 0.515 | S | S | * | . | trans | -72.1 | 10.8 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | F213 | F213-S215 PolarHBondContact O-N 3.32Š| ||
| 216 | R | 61.2 | Low | 68 | Low | 188 Ų | 188 | 92.5 Ų | 92.5 | 71% | 0.709 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -83 | 133.9 | 174.8 | -71.4 | -174.1 | -179.6 | 175.6 | 1.5 | 109.9 | S214 A218 | S214-R216 PolarHBondContact O-N 2.88Å; S214-R216 VanDerWaalsContact O-N 3.1Å; R216-A218 VanDerWaalsContact C-N 3.31Å; R216-A218 PolarHBondContact O-N 2.87Å |
| 217 | P | 58.5 | Low | 68 | Low | 88 Ų | 88 | 94.7 Ų | 94.7 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | trans | -68.8 | 89.9 | 172.4 | 28.7 | -32.6 | 0 | 0 | 0 | 109.6 | N219 D220 | P217-N219 PolarHBondContact O-N 2.86Å; P217-D220 PolarHBondContact O-N 3.19Å | ||
| 218 | A | 59.5 | Low | 68 | Low | 36 Ų | 36 | 96 Ų | 96 | 30% | 0.298 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -28.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R216 D220 E221 C222 | R216-A218 VanDerWaalsContact C-N 3.31Å; R216-A218 PolarHBondContact O-N 2.87Å; A218-D220 PolarHBondContact O-N 3.48Å; A218-E221 PolarHBondContact O-N 3.06Å; A218-C222 WeakPolarHBondContact O-CB 2.95Å; A218-C222 PolarHBondContact O-N 2.96Å; A218-C222 PolarHBondContact O-SG 3.41Å |
| 219 | N | 63.1 | Low | 67.9 | Low | 137 Ų | 137 | 97 Ų | 97 | 73% | 0.733 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | -177.8 | -68.1 | -7.8 | 0 | 0 | 0 | 112.9 | P217 A223 | P217-N219 PolarHBondContact O-N 2.86Å; N219-A223 VanDerWaalsContact O-CB 3.31Å; N219-A223 WeakPolarHBondContact O-CB 3.46Å; N219-A223 PolarHBondContact O-N 2.04Å; N219-A223 VanDerWaalsContact O-N 3.12Å |
| 220 | D | 66.5 | Low | 67.6 | Low | 117 Ų | 117 | 98.6 Ų | 98.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -74.7 | -40.8 | -176.8 | -71.7 | -14.4 | 0 | 0 | 0 | 111.4 | P217 A218 A223 H224 | P217-D220 PolarHBondContact O-N 3.19Å; A218-D220 PolarHBondContact O-N 3.48Å; D220-A223 PolarHBondContact O-N 2.91Å; D220-H224 WeakPolarHBondContact O-CB 3.48Å; D220-H224 PolarHBondContact O-N 3.01Å |
| 221 | E | 69.4 | Low | 67.4 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.6 | -36.4 | -178.2 | -164.8 | 159.7 | -166.6 | 0 | 0 | 111.7 | A218 H224 Y225 | A218-E221 PolarHBondContact O-N 3.06Å; E221-H224 PolarHBondContact O-N 3.5Å; E221-Y225 WeakPolarHBondContact O-CB 3.48Å; E221-Y225 PolarHBondContact O-N 3.48Å |
| 222 | C | 71.5 | Confident | 67.2 | Low | 19 Ų | 19 | 102.1 Ų | 102.1 | 13% | 0.128 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 174 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | C197 A218 H224 Y225 Y226 | C197-C222 WeakPolarHBondContact CA-SG 3.36Å; C197-C222 HydrophobicContact CB-CB 3.75Å; C197-C222 WeakPolarHBondContact CB-SG 3.03Å; C197-C222 WeakPolarHBondContact SG-CA 3.33Å; C197-C222 WeakPolarHBondContact SG-CB 3.27Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 3.43Å; A218-C222 WeakPolarHBondContact O-CB 2.95Å; A218-C222 PolarHBondContact O-N 2.96Å; A218-C222 PolarHBondContact O-SG 3.41Å; C222-H224 VanDerWaalsContact C-N 3.31Å; C222-H224 PolarHBondContact O-N 3.37Å; C222-Y225 PolarHBondContact O-N 2.83Å; C222-Y226 VanDerWaalsContact O-CD2 3.27Å; C222-Y226 WeakPolarHBondContact O-CD2 3.47Å; C222-Y226 PolarHBondContact O-N 3.37Å |
| 223 | A | 71.3 | Confident | 66.8 | Low | 58 Ų | 58 | 93.6 Ų | 93.6 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N219 D220 Y225 Y226 E227 | N219-A223 VanDerWaalsContact O-CB 3.31Å; N219-A223 WeakPolarHBondContact O-CB 3.46Å; N219-A223 PolarHBondContact O-N 2.04Å; N219-A223 VanDerWaalsContact O-N 3.12Å; D220-A223 PolarHBondContact O-N 2.91Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 3.04Å; A223-Y226 PolarHBondContact O-N 2.94Å; A223-E227 VanDerWaalsContact O-CB 3.23Å; A223-E227 WeakPolarHBondContact O-CB 3.33Å; A223-E227 PolarHBondContact O-N 3.31Å |
| 224 | H | 70 | Confident | 66.2 | Low | 122 Ų | 122 | 92 Ų | 92 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -36.5 | 177.3 | -165.5 | -46.2 | 0 | 0 | 0 | 112.7 | D220 E221 C222 E228 | D220-H224 WeakPolarHBondContact O-CB 3.48Å; D220-H224 PolarHBondContact O-N 3.01Å; E221-H224 PolarHBondContact O-N 3.5Å; C222-H224 VanDerWaalsContact C-N 3.31Å; C222-H224 PolarHBondContact O-N 3.37Å; H224-E228 WeakPolarHBondContact O-CB 3.48Å; H224-E228 PolarHBondContact O-N 3.37Å |
| 225 | Y | 70.1 | Confident | 65.7 | Low | 28 Ų | 28 | 96.4 Ų | 96.4 | 11% | 0.11 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 175.2 | 177.3 | -97.2 | 0 | 0 | 0 | 111.7 | V186 G192 P193 P194 E221 C222 A223 E228 L229 | V186-Y225 HydrophobicContact CG1-CD2 4.4Å; V186-Y225 HydrophobicContact CG1-CE2 3.95Å; G192-Y225 PolarHBondContact O-OH 3.4Å; P193-Y225 HydrophobicContact CB-CD1 4.49Å; P193-Y225 HydrophobicContact CB-CE1 3.84Å; P194-Y225 HydrophobicContact CG-CD2 4.18Å; P194-Y225 HydrophobicContact CG-CE2 4.3Å; P194-Y225 HydrophobicContact CG-CG 4.34Å; E221-Y225 WeakPolarHBondContact O-CB 3.48Å; E221-Y225 PolarHBondContact O-N 3.48Å; C222-Y225 PolarHBondContact O-N 2.83Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 3.04Å; Y225-E228 PolarHBondContact O-N 3.29Å; Y225-L229 HydrophobicContact CD1-CD1 3.66Å; Y225-L229 HydrophobicContact CD2-CD1 3.9Å; Y225-L229 HydrophobicContact CE1-CD1 3.15Å; Y225-L229 HydrophobicContact CE2-CD1 3.42Å; Y225-L229 VanDerWaalsContact CE2-CD1 3.42Å; Y225-L229 HydrophobicContact CG-CD1 4.01Å; Y225-L229 PolarHBondContact O-N 3.1Å; Y225-L229 WeakPolarHBondContact OH-CD1 3.3Å |
| 226 | Y | 71.2 | Confident | 65.6 | Low | 93 Ų | 93 | 92.4 Ų | 92.4 | 37% | 0.365 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 178.9 | -77.9 | -68.4 | 0 | 0 | 0 | 112.2 | C197 C222 A223 L229 L230 | C197-Y226 HydrophobicContact CB-CE2 4.18Å; C197-Y226 PolarHBondContact O-OH 3.47Å; C222-Y226 VanDerWaalsContact O-CD2 3.27Å; C222-Y226 WeakPolarHBondContact O-CD2 3.47Å; C222-Y226 PolarHBondContact O-N 3.37Å; A223-Y226 PolarHBondContact O-N 2.94Å; Y226-L229 PolarHBondContact O-N 3.15Å; Y226-L230 WeakPolarHBondContact O-CB 2.89Å; Y226-L230 VanDerWaalsContact O-CG 3.32Å; Y226-L230 WeakPolarHBondContact O-CG 3.26Å; Y226-L230 PolarHBondContact O-N 3.18Å |
| 227 | E | 71.8 | Confident | 65.8 | Low | 137 Ų | 137 | 84.1 Ų | 84.1 | 64% | 0.64 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 173.7 | -174 | 174 | -171.4 | 0 | 0 | 111.4 | A223 L229 S231 | A223-E227 VanDerWaalsContact O-CB 3.23Å; A223-E227 WeakPolarHBondContact O-CB 3.33Å; A223-E227 PolarHBondContact O-N 3.31Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.1Å; E227-S231 WeakPolarHBondContact O-CB 3.2Å; E227-S231 PolarHBondContact O-N 2.96Å; E227-S231 PolarHBondContact O-OG 3.16Å |
| 228 | E | 67.6 | Low | 66.3 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 34% | 0.336 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 177.8 | -169.4 | 63.5 | -146.3 | 0 | 0 | 112.1 | K183 H224 Y225 S231 | K183-E228 PolarHBondContact NZ-O 3.48Å; H224-E228 WeakPolarHBondContact O-CB 3.48Å; H224-E228 PolarHBondContact O-N 3.37Å; Y225-E228 PolarHBondContact O-N 3.29Å; E228-S231 PolarHBondContact O-OG 3.12Å |
| 229 | L | 69 | Low | 66.8 | Low | 70 Ų | 70 | 86.1 Ų | 86.1 | 37% | 0.366 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.4 | -44.1 | 176.5 | -98.4 | 132.9 | 0 | 0 | 0 | 113.8 | L187 Y225 Y226 E227 | L187-L229 HydrophobicContact CD1-CD2 4.33Å; Y225-L229 HydrophobicContact CD1-CD1 3.66Å; Y225-L229 HydrophobicContact CD2-CD1 3.9Å; Y225-L229 HydrophobicContact CE1-CD1 3.15Å; Y225-L229 HydrophobicContact CE2-CD1 3.42Å; Y225-L229 VanDerWaalsContact CE2-CD1 3.42Å; Y225-L229 HydrophobicContact CG-CD1 4.01Å; Y225-L229 PolarHBondContact O-N 3.1Å; Y225-L229 WeakPolarHBondContact OH-CD1 3.3Å; Y226-L229 PolarHBondContact O-N 3.15Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 3.1Å |
| 230 | L | 68.1 | Low | 67.4 | Low | 139 Ų | 139 | 87.7 Ų | 87.7 | 73% | 0.728 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -85.4 | -23.2 | -175.1 | -67.7 | 167.1 | 0 | 0 | 0 | 112.9 | Y226 E232 | Y226-L230 WeakPolarHBondContact O-CB 2.89Å; Y226-L230 VanDerWaalsContact O-CG 3.32Å; Y226-L230 WeakPolarHBondContact O-CG 3.26Å; Y226-L230 PolarHBondContact O-N 3.18Å; L230-E232 PolarHBondContact O-N 2.94Å |
| 231 | S | 67.1 | Low | 67.9 | Low | 35 Ų | 35 | 85.7 Ų | 85.7 | 25% | 0.245 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -59.9 | 130.8 | 176 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | K183 E227 E228 | K183-S231 PolarHBondContact NZ-O 2.98Å; K183-S231 PolarHBondContact NZ-OG 3.45Å; K183-S231 VanDerWaalsContact NZ-OG 3.13Å; E227-S231 WeakPolarHBondContact O-CB 3.2Å; E227-S231 PolarHBondContact O-N 2.96Å; E227-S231 PolarHBondContact O-OG 3.16Å; E228-S231 PolarHBondContact O-OG 3.12Å |
| 232 | E | 63.7 | Low | 68.1 | Low | 126 Ų | 126 | 79.6 Ų | 79.6 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | trans | -66.9 | 131.5 | 171.6 | -69.8 | -175.1 | 174.7 | 0 | 0 | 109 | L230 F234 L235 S236 | L230-E232 PolarHBondContact O-N 2.94Å; E232-F234 PolarHBondContact O-N 2.75Å; E232-L235 PolarHBondContact O-N 2.9Å; E232-S236 PolarHBondContact O-N 3.37Å | ||
| 233 | P | 61.6 | Low | 68.3 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -54 | -32.9 | -179.8 | 19.9 | -32 | 0 | 0 | 0 | 112.1 | Y176 S236 T237 | Y176-P233 HydrophobicContact CD2-CB 4.1Å; Y176-P233 HydrophobicContact CD2-CG 4.21Å; Y176-P233 HydrophobicContact CE2-CB 3.91Å; Y176-P233 HydrophobicContact CE2-CG 3.5Å; P233-S236 PolarHBondContact O-N 2.69Å; P233-S236 PolarHBondContact O-OG 2.96Å; P233-T237 PolarHBondContact O-N 3.33Å; P233-T237 PolarHBondContact O-OG1 2.82Å |
| 234 | F | 60 | Low | 68.7 | Low | 126 Ų | 126 | 82.6 Ų | 82.6 | 55% | 0.553 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 175.5 | -72.4 | -72.4 | 0 | 0 | 0 | 113.4 | Y176 E232 S236 T237 | Y176-F234 HydrophobicContact CD2-CD1 4.25Å; Y176-F234 HydrophobicContact CD2-CD2 4.45Å; Y176-F234 AromaticContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE1 3.88Å; Y176-F234 HydrophobicContact CD2-CE2 4.1Å; Y176-F234 AromaticContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CD2-CZ 3.8Å; Y176-F234 HydrophobicContact CE2-CD1 4.49Å; Y176-F234 AromaticContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CD2 3.93Å; Y176-F234 HydrophobicContact CE2-CE1 4.08Å; Y176-F234 AromaticContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CE2 3.45Å; Y176-F234 VanDerWaalsContact CE2-CE2 3.45Å; Y176-F234 HydrophobicContact CE2-CG 4.42Å; Y176-F234 AromaticContact CE2-CZ 3.53Å; Y176-F234 HydrophobicContact CE2-CZ 3.53Å; E232-F234 PolarHBondContact O-N 2.75Å; F234-S236 VanDerWaalsContact C-N 3.34Å; F234-S236 PolarHBondContact O-N 2.81Å; F234-T237 WeakPolarHBondContact CA-OG1 3.37Å; F234-T237 PolarHBondContact O-N 3.42Å; F234-T237 PolarHBondContact O-OG1 3.29Å |
| 235 | L | 58 | Low | 69.1 | Low | 150 Ų | 150 | 79.7 Ų | 79.7 | 79% | 0.785 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69 | -35.1 | -177.7 | -123.6 | 79.4 | 0 | 0 | 0 | 112 | E232 T237 | E232-L235 PolarHBondContact O-N 2.9Å; L235-T237 PolarHBondContact O-N 3.39Å |
| 236 | S | 59.5 | Low | 69.4 | Low | 46 Ų | 46 | 80.7 Ų | 80.7 | 32% | 0.322 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.6 | -24.3 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | R179 E232 P233 F234 S238 | R179-S236 PolarHBondContact NH1-O 2.82Å; R179-S236 PolarHBondContact NH1-OG 3.35Å; E232-S236 PolarHBondContact O-N 3.37Å; P233-S236 PolarHBondContact O-N 2.69Å; P233-S236 PolarHBondContact O-OG 2.96Å; F234-S236 VanDerWaalsContact C-N 3.34Å; F234-S236 PolarHBondContact O-N 2.81Å; S236-S238 PolarHBondContact O-N 2.96Å |
| 237 | T | 64.1 | Low | 69.8 | Low | 14 Ų | 14 | 81.7 Ų | 81.7 | 9% | 0.086 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -70.5 | 94 | -179.2 | 0.8 | 0 | 0 | 0 | 0 | 109.8 | K175 P233 F234 L235 L239 I242 | K175-T237 HydrophobicContact CB-CG2 4.26Å; P233-T237 PolarHBondContact O-N 3.33Å; P233-T237 PolarHBondContact O-OG1 2.82Å; F234-T237 WeakPolarHBondContact CA-OG1 3.37Å; F234-T237 PolarHBondContact O-N 3.42Å; F234-T237 PolarHBondContact O-OG1 3.29Å; L235-T237 PolarHBondContact O-N 3.39Å; T237-L239 PolarHBondContact O-N 3.06Å; T237-I242 HydrophobicContact CG2-CD1 3.72Å |
| 238 | S | 69.2 | Low | 70.3 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | trans | -60.1 | 109.5 | 169.5 | 80.5 | 0 | 0 | 0 | 0 | 108.2 | S236 Y240 E241 I242 | S236-S238 PolarHBondContact O-N 2.96Å; S238-Y240 PolarHBondContact O-N 3.12Å; S238-Y240 VanDerWaalsContact O-N 3.13Å; S238-E241 PolarHBondContact O-N 3.14Å; S238-E241 VanDerWaalsContact O-N 3.08Å; S238-E241 WeakPolarHBondContact OG-CB 3.38Å; S238-E241 PolarHBondContact OG-N 2.85Å; S238-I242 PolarHBondContact O-N 3.41Å | ||
| 239 | L | 70.4 | Confident | 70.9 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 60% | 0.597 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -54.9 | -30 | 174.7 | -70.3 | 167.1 | 0 | 0 | 0 | 110.6 | F168 T237 I242 C243 | F168-L239 HydrophobicContact CZ-CD2 4.19Å; T237-L239 PolarHBondContact O-N 3.06Å; L239-I242 PolarHBondContact O-N 2.67Å; L239-C243 WeakPolarHBondContact O-CB 3.24Å; L239-C243 PolarHBondContact O-N 3.33Å; L239-C243 PolarHBondContact O-SG 2.82Å |
| 240 | Y | 75.5 | Confident | 71.4 | Confident | 169 Ų | 169 | 79.1 Ų | 79.1 | 66% | 0.663 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.9 | -47.8 | 174.5 | -177.1 | -104.3 | 0 | 0 | 0 | 113.4 | S238 I242 C243 L244 | S238-Y240 PolarHBondContact O-N 3.12Å; S238-Y240 VanDerWaalsContact O-N 3.13Å; Y240-I242 VanDerWaalsContact C-N 3.32Å; Y240-I242 PolarHBondContact O-N 3.28Å; Y240-C243 PolarHBondContact O-N 3.28Å; Y240-L244 HydrophobicContact CD1-CD1 3.89Å; Y240-L244 HydrophobicContact CD1-CG 4.44Å; Y240-L244 HydrophobicContact CE1-CD1 3.26Å; Y240-L244 HydrophobicContact CE1-CG 4.03Å; Y240-L244 HydrophobicContact CE2-CD1 4.37Å; Y240-L244 HydrophobicContact CE2-CG 4.34Å; Y240-L244 WeakPolarHBondContact O-CB 3.34Å; Y240-L244 WeakPolarHBondContact O-CG 3.31Å; Y240-L244 PolarHBondContact O-N 3.11Å |
| 241 | E | 76.5 | Confident | 72.1 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.2 | -174.8 | -164.2 | 154.8 | 0 | 0 | 110.8 | K175 R179 S238 L244 E245 | K175-E241 IonicContact NZ-OE1 2.71Å; K175-E241 PolarHBondContact NZ-OE1 2.75Å; R179-E241 IonicContact NH2-OE2 3.7Å; R179-E241 PolarHBondContact NH2-OE2 3.28Å; R179-E241 VanDerWaalsContact NH2-OE2 3.11Å; S238-E241 PolarHBondContact O-N 3.14Å; S238-E241 VanDerWaalsContact O-N 3.08Å; S238-E241 WeakPolarHBondContact OG-CB 3.38Å; S238-E241 PolarHBondContact OG-N 2.85Å; E241-L244 PolarHBondContact O-N 3.28Å; E241-E245 WeakPolarHBondContact O-CB 3.28Å; E241-E245 PolarHBondContact O-N 2.89Å |
| 242 | I | 73.7 | Confident | 72.9 | Confident | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.015 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.6 | -64.9 | 158.7 | 0 | 0 | 0 | 110.7 | F168 S171 V172 K175 T237 S238 L239 Y240 E245 L246 | F168-I242 HydrophobicContact CD2-CG2 4.27Å; F168-I242 HydrophobicContact CE2-CG2 3.95Å; S171-I242 WeakPolarHBondContact OG-CG2 3.35Å; V172-I242 HydrophobicContact CG2-CD1 4.06Å; V172-I242 HydrophobicContact CG2-CG2 4.27Å; K175-I242 HydrophobicContact CG-CG1 4.43Å; T237-I242 HydrophobicContact CG2-CD1 3.72Å; S238-I242 PolarHBondContact O-N 3.41Å; L239-I242 PolarHBondContact O-N 2.67Å; Y240-I242 VanDerWaalsContact C-N 3.32Å; Y240-I242 PolarHBondContact O-N 3.28Å; I242-E245 PolarHBondContact O-N 3.39Å; I242-L246 WeakPolarHBondContact O-CB 3.47Å; I242-L246 PolarHBondContact O-N 2.9Å |
| 243 | C | 76.3 | Confident | 73.8 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 177.1 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | L239 Y240 E245 L246 I247 | L239-C243 WeakPolarHBondContact O-CB 3.24Å; L239-C243 PolarHBondContact O-N 3.33Å; L239-C243 PolarHBondContact O-SG 2.82Å; Y240-C243 PolarHBondContact O-N 3.28Å; C243-E245 VanDerWaalsContact C-N 3.34Å; C243-L246 PolarHBondContact O-N 2.76Å; C243-I247 VanDerWaalsContact O-CG1 3.29Å; C243-I247 WeakPolarHBondContact O-CG1 3.29Å; C243-I247 PolarHBondContact O-N 3.02Å |
| 244 | L | 78.9 | Confident | 74.8 | Confident | 84 Ų | 84 | 81.2 Ų | 81.2 | 44% | 0.44 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.3 | -79.9 | -178.3 | 0 | 0 | 0 | 111.7 | Y240 E241 I247 S248 | Y240-L244 HydrophobicContact CD1-CD1 3.89Å; Y240-L244 HydrophobicContact CD1-CG 4.44Å; Y240-L244 HydrophobicContact CE1-CD1 3.26Å; Y240-L244 HydrophobicContact CE1-CG 4.03Å; Y240-L244 HydrophobicContact CE2-CD1 4.37Å; Y240-L244 HydrophobicContact CE2-CG 4.34Å; Y240-L244 WeakPolarHBondContact O-CB 3.34Å; Y240-L244 WeakPolarHBondContact O-CG 3.31Å; Y240-L244 PolarHBondContact O-N 3.11Å; E241-L244 PolarHBondContact O-N 3.28Å; L244-I247 PolarHBondContact O-N 3.3Å; L244-S248 WeakPolarHBondContact O-CB 3.47Å; L244-S248 PolarHBondContact O-N 3.29Å; L244-S248 PolarHBondContact O-OG 3.42Å |
| 245 | E | 78.2 | Confident | 76 | Confident | 62 Ų | 62 | 79 Ų | 79 | 29% | 0.29 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 176.7 | -169.3 | 166.1 | 179.5 | 0 | 0 | 111.7 | K175 E241 I242 C243 I247 S248 Q249 | K175-E245 WeakPolarHBondContact CE-OE2 3.32Å; K175-E245 IonicContact NZ-OE2 2.72Å; K175-E245 PolarHBondContact NZ-OE2 3.12Å; E241-E245 WeakPolarHBondContact O-CB 3.28Å; E241-E245 PolarHBondContact O-N 2.89Å; I242-E245 PolarHBondContact O-N 3.39Å; C243-E245 VanDerWaalsContact C-N 3.34Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 2.9Å; E245-S248 WeakPolarHBondContact CA-OG 3.48Å; E245-S248 PolarHBondContact O-N 3.08Å; E245-S248 PolarHBondContact O-OG 3.34Å; E245-Q249 HydrophobicContact CG-CG 3.86Å; E245-Q249 VanDerWaalsContact O-CB 3.28Å; E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 WeakPolarHBondContact O-CG 3.46Å; E245-Q249 PolarHBondContact O-N 3.01Å; E245-Q249 PolarHBondContact OE1-NE2 3.5Å |
| 246 | L | 77.8 | Confident | 77.2 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -32.1 | 176.9 | -139.3 | 77.2 | 0 | 0 | 0 | 113 | I167 F168 S171 I242 C243 P250 | I167-L246 HydrophobicContact CG2-CD1 3.89Å; I167-L246 HydrophobicContact CG2-CG 4.34Å; F168-L246 HydrophobicContact CB-CD2 4.21Å; F168-L246 HydrophobicContact CD2-CD2 4.13Å; S171-L246 WeakPolarHBondContact OG-CD1 3.29Å; I242-L246 WeakPolarHBondContact O-CB 3.47Å; I242-L246 PolarHBondContact O-N 2.9Å; C243-L246 PolarHBondContact O-N 2.76Å; L246-P250 WeakPolarHBondContact O-CD 3.42Å; L246-P250 WeakPolarHBondContact O-CG 3.22Å |
| 247 | I | 79.6 | Confident | 78.5 | Confident | 114 Ų | 114 | 79.7 Ų | 79.7 | 59% | 0.585 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -83.9 | -44.7 | 177.1 | -66.2 | 166.1 | 0 | 0 | 0 | 110.1 | C243 L244 E245 P250 V251 | C243-I247 VanDerWaalsContact O-CG1 3.29Å; C243-I247 WeakPolarHBondContact O-CG1 3.29Å; C243-I247 PolarHBondContact O-N 3.02Å; L244-I247 PolarHBondContact O-N 3.3Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 2.9Å; I247-P250 WeakPolarHBondContact O-CD 3.48Å; I247-V251 WeakPolarHBondContact O-CB 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 2.93Å |
| 248 | S | 80.8 | Confident | 79.5 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 33% | 0.329 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73 | -38.9 | -174.5 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | L244 E245 V251 I252 | L244-S248 WeakPolarHBondContact O-CB 3.47Å; L244-S248 PolarHBondContact O-N 3.29Å; L244-S248 PolarHBondContact O-OG 3.42Å; E245-S248 WeakPolarHBondContact CA-OG 3.48Å; E245-S248 PolarHBondContact O-N 3.08Å; E245-S248 PolarHBondContact O-OG 3.34Å; S248-V251 PolarHBondContact O-N 3.09Å; S248-I252 WeakPolarHBondContact O-CB 3.32Å; S248-I252 WeakPolarHBondContact O-CD1 3.31Å; S248-I252 WeakPolarHBondContact O-CG1 3.32Å; S248-I252 PolarHBondContact O-N 3.31Å |
| 249 | Q | 81.6 | Confident | 80.4 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -48.9 | -179.4 | -79.5 | -167.8 | 4.2 | 0 | 0 | 112.8 | E245 V251 I252 S253 | E245-Q249 HydrophobicContact CG-CG 3.86Å; E245-Q249 VanDerWaalsContact O-CB 3.28Å; E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 WeakPolarHBondContact O-CG 3.46Å; E245-Q249 PolarHBondContact O-N 3.01Å; E245-Q249 PolarHBondContact OE1-NE2 3.5Å; Q249-V251 PolarHBondContact O-N 2.84Å; Q249-I252 PolarHBondContact O-N 3.46Å; Q249-S253 WeakPolarHBondContact O-CB 3.44Å; Q249-S253 PolarHBondContact O-N 3.43Å |
| 250 | P | 79.5 | Confident | 81.3 | Confident | 66 Ų | 66 | 82.2 Ų | 82.2 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.2 | -23.4 | 34.3 | 0 | 0 | 0 | 112 | L246 I247 I252 S253 L254 | L246-P250 WeakPolarHBondContact O-CD 3.42Å; L246-P250 WeakPolarHBondContact O-CG 3.22Å; I247-P250 WeakPolarHBondContact O-CD 3.48Å; P250-I252 PolarHBondContact O-N 3.11Å; P250-S253 PolarHBondContact O-N 2.86Å; P250-L254 VanDerWaalsContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CB 3.31Å; P250-L254 WeakPolarHBondContact O-CG 3.32Å; P250-L254 PolarHBondContact O-N 3.09Å |
| 251 | V | 81.5 | Confident | 81.9 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 47% | 0.473 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 179 | 171.2 | 0 | 0 | 0 | 0 | 111 | I247 S248 Q249 L254 C255 | I247-V251 WeakPolarHBondContact O-CB 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 2.93Å; S248-V251 PolarHBondContact O-N 3.09Å; Q249-V251 PolarHBondContact O-N 2.84Å; V251-L254 PolarHBondContact O-N 3.39Å; V251-C255 VanDerWaalsContact O-CB 3.32Å; V251-C255 WeakPolarHBondContact O-CB 3.41Å; V251-C255 PolarHBondContact O-N 3.48Å; V251-C255 PolarHBondContact O-SG 2.9Å |
| 252 | I | 84 | Confident | 82.4 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 177.9 | -67.3 | 163.9 | 0 | 0 | 0 | 110.5 | S248 Q249 P250 C255 K256 | S248-I252 WeakPolarHBondContact O-CB 3.32Å; S248-I252 WeakPolarHBondContact O-CD1 3.31Å; S248-I252 WeakPolarHBondContact O-CG1 3.32Å; S248-I252 PolarHBondContact O-N 3.31Å; Q249-I252 PolarHBondContact O-N 3.46Å; P250-I252 PolarHBondContact O-N 3.11Å; I252-C255 PolarHBondContact O-N 2.91Å; I252-K256 VanDerWaalsContact O-CB 3.28Å; I252-K256 WeakPolarHBondContact O-CB 3.03Å; I252-K256 PolarHBondContact O-N 3.07Å |
| 253 | S | 82.9 | Confident | 83 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | Q249 P250 K256 S257 | Q249-S253 WeakPolarHBondContact O-CB 3.44Å; Q249-S253 PolarHBondContact O-N 3.43Å; P250-S253 PolarHBondContact O-N 2.86Å; S253-K256 PolarHBondContact O-N 3.5Å; S253-S257 WeakPolarHBondContact O-CB 3.47Å; S253-S257 PolarHBondContact O-N 2.89Å; S253-S257 PolarHBondContact O-OG 3.21Å |
| 254 | L | 83.1 | Confident | 83.6 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 173.7 | -72.4 | 171.8 | 0 | 0 | 0 | 110.8 | P250 V251 K256 S257 L258 | P250-L254 VanDerWaalsContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CB 3.31Å; P250-L254 WeakPolarHBondContact O-CG 3.32Å; P250-L254 PolarHBondContact O-N 3.09Å; V251-L254 PolarHBondContact O-N 3.39Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 3.08Å; L254-S257 WeakPolarHBondContact CA-OG 3.43Å; L254-S257 PolarHBondContact O-N 3.46Å; L254-S257 PolarHBondContact O-OG 2.99Å; L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 WeakPolarHBondContact O-CD1 3.2Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.26Å |
| 255 | C | 84.7 | Confident | 83.9 | Confident | 80 Ų | 80 | 79.3 Ų | 79.3 | 54% | 0.541 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 174.7 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | V251 I252 G259 | V251-C255 VanDerWaalsContact O-CB 3.32Å; V251-C255 WeakPolarHBondContact O-CB 3.41Å; V251-C255 PolarHBondContact O-N 3.48Å; V251-C255 PolarHBondContact O-SG 2.9Å; I252-C255 PolarHBondContact O-N 2.91Å; C255-G259 PolarHBondContact O-N 3.37Å |
| 256 | K | 83.7 | Confident | 84.3 | Confident | 147 Ų | 147 | 81.1 Ų | 81.1 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67 | -47 | 177.4 | -175.1 | 178.2 | 179.5 | -179.9 | 0 | 111.4 | I252 S253 L254 G259 I260 | I252-K256 VanDerWaalsContact O-CB 3.28Å; I252-K256 WeakPolarHBondContact O-CB 3.03Å; I252-K256 PolarHBondContact O-N 3.07Å; S253-K256 PolarHBondContact O-N 3.5Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 3.08Å; K256-G259 PolarHBondContact O-N 3.01Å; K256-I260 HydrophobicContact CG-CD1 4.08Å; K256-I260 WeakPolarHBondContact O-CD1 3.03Å; K256-I260 VanDerWaalsContact O-CG1 3.23Å; K256-I260 WeakPolarHBondContact O-CG1 3.39Å; K256-I260 PolarHBondContact O-N 3.39Å |
| 257 | S | 86.7 | Confident | 84.7 | Confident | 63 Ų | 63 | 85 Ų | 85 | 44% | 0.441 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 178 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | S253 L254 I260 G261 | S253-S257 WeakPolarHBondContact O-CB 3.47Å; S253-S257 PolarHBondContact O-N 2.89Å; S253-S257 PolarHBondContact O-OG 3.21Å; L254-S257 WeakPolarHBondContact CA-OG 3.43Å; L254-S257 PolarHBondContact O-N 3.46Å; L254-S257 PolarHBondContact O-OG 2.99Å; S257-I260 PolarHBondContact O-N 2.99Å; S257-G261 PolarHBondContact O-N 3.02Å |
| 258 | L | 85.6 | Confident | 85.1 | Confident | 101 Ų | 101 | 84 Ų | 84 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 171.1 | -75.1 | 165.4 | 0 | 0 | 0 | 111.3 | L254 I260 G261 I262 | L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 WeakPolarHBondContact O-CD1 3.2Å; L254-L258 WeakPolarHBondContact O-CG 3.42Å; L254-L258 PolarHBondContact O-N 3.26Å; L258-I260 PolarHBondContact O-N 3.13Å; L258-G261 PolarHBondContact O-N 3.36Å; L258-I262 WeakPolarHBondContact O-CB 3.46Å; L258-I262 WeakPolarHBondContact O-CD1 3.38Å; L258-I262 WeakPolarHBondContact O-CG1 3.43Å; L258-I262 PolarHBondContact O-N 3.04Å |
| 259 | G | 87.6 | Confident | 85.3 | Confident | 41 Ų | 41 | 83.6 Ų | 83.6 | 42% | 0.423 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C255 K256 I262 G263 | C255-G259 PolarHBondContact O-N 3.37Å; K256-G259 PolarHBondContact O-N 3.01Å; G259-I262 PolarHBondContact O-N 3.35Å; G259-G263 PolarHBondContact O-N 3.28Å |
| 260 | I | 90.1 | Very high | 85.4 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 173.8 | -68.3 | 162.7 | 0 | 0 | 0 | 110.6 | K256 S257 L258 I262 G263 Q264 | K256-I260 HydrophobicContact CG-CD1 4.08Å; K256-I260 WeakPolarHBondContact O-CD1 3.03Å; K256-I260 VanDerWaalsContact O-CG1 3.23Å; K256-I260 WeakPolarHBondContact O-CG1 3.39Å; K256-I260 PolarHBondContact O-N 3.39Å; S257-I260 PolarHBondContact O-N 2.99Å; L258-I260 PolarHBondContact O-N 3.13Å; I260-I262 PolarHBondContact O-N 3.44Å; I260-G263 PolarHBondContact O-N 2.92Å; I260-Q264 WeakPolarHBondContact O-CG 3.4Å; I260-Q264 PolarHBondContact O-N 3.46Å |
| 261 | G | 87.7 | Confident | 85.7 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S257 L258 Q264 L265 | S257-G261 PolarHBondContact O-N 3.02Å; L258-G261 PolarHBondContact O-N 3.36Å; G261-Q264 PolarHBondContact O-N 3.23Å; G261-L265 WeakPolarHBondContact O-CB 3.19Å; G261-L265 PolarHBondContact O-N 2.98Å |
| 262 | I | 85.8 | Confident | 85.9 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 34% | 0.338 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 174.9 | -66.3 | 162.1 | 0 | 0 | 0 | 110.5 | L258 G259 I260 Q264 L265 Y266 M286 | L258-I262 WeakPolarHBondContact O-CB 3.46Å; L258-I262 WeakPolarHBondContact O-CD1 3.38Å; L258-I262 WeakPolarHBondContact O-CG1 3.43Å; L258-I262 PolarHBondContact O-N 3.04Å; G259-I262 PolarHBondContact O-N 3.35Å; I260-I262 PolarHBondContact O-N 3.44Å; I262-Q264 VanDerWaalsContact C-N 3.35Å; I262-Q264 PolarHBondContact O-N 2.96Å; I262-L265 PolarHBondContact O-N 3Å; I262-Y266 WeakPolarHBondContact O-CB 3.36Å; I262-Y266 PolarHBondContact O-N 3.46Å; I262-M286 HydrophobicContact CD1-CE 3.64Å; I262-M286 HydrophobicContact CD1-SD 4.17Å; I262-M286 HydrophobicContact CG1-CE 3.89Å; I262-M286 HydrophobicContact CG1-SD 3.75Å |
| 263 | G | 87.3 | Confident | 85.9 | Confident | 40 Ų | 40 | 85.6 Ų | 85.6 | 41% | 0.412 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G259 I260 Y266 H267 | G259-G263 PolarHBondContact O-N 3.28Å; I260-G263 PolarHBondContact O-N 2.92Å; G263-Y266 PolarHBondContact O-N 3.01Å; G263-H267 WeakPolarHBondContact O-CB 3.42Å; G263-H267 PolarHBondContact O-N 3.45Å |
| 264 | Q | 88.3 | Confident | 86 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 174.3 | -74.4 | 176.6 | -15.9 | 0 | 0 | 112.2 | I260 G261 I262 Y266 H267 N268 | I260-Q264 WeakPolarHBondContact O-CG 3.4Å; I260-Q264 PolarHBondContact O-N 3.46Å; G261-Q264 PolarHBondContact O-N 3.23Å; I262-Q264 VanDerWaalsContact C-N 3.35Å; I262-Q264 PolarHBondContact O-N 2.96Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3.33Å; Q264-H267 PolarHBondContact O-N 3.42Å; Q264-N268 WeakPolarHBondContact O-CB 3.4Å; Q264-N268 VanDerWaalsContact O-CG 3.24Å; Q264-N268 PolarHBondContact O-N 3.18Å |
| 265 | L | 85.4 | Confident | 86 | Confident | 64 Ų | 64 | 86.9 Ų | 86.9 | 34% | 0.335 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.5 | -178.5 | 70.1 | 0 | 0 | 0 | 111 | G261 I262 L269 C285 | G261-L265 WeakPolarHBondContact O-CB 3.19Å; G261-L265 PolarHBondContact O-N 2.98Å; I262-L265 PolarHBondContact O-N 3Å; L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 4.43Å; L265-L269 HydrophobicContact CD2-CD1 4.48Å; L265-L269 HydrophobicContact CG-CD1 3.85Å; L265-L269 WeakPolarHBondContact O-CB 3.22Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.38Å; L265-L269 PolarHBondContact O-N 3.44Å; L265-C285 HydrophobicContact CD2-CB 4.28Å |
| 266 | Y | 86.3 | Confident | 86 | Confident | 100 Ų | 100 | 92 Ų | 92 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 177.3 | 179 | -95.5 | 0 | 0 | 0 | 111.8 | I262 G263 Q264 N268 L269 S270 A278 | I262-Y266 WeakPolarHBondContact O-CB 3.36Å; I262-Y266 PolarHBondContact O-N 3.46Å; G263-Y266 PolarHBondContact O-N 3.01Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3.33Å; Y266-N268 PolarHBondContact O-N 2.95Å; Y266-L269 PolarHBondContact O-N 3Å; Y266-S270 VanDerWaalsContact O-CB 3.29Å; Y266-S270 WeakPolarHBondContact O-CB 3.13Å; Y266-S270 PolarHBondContact O-N 2.99Å; Y266-S270 PolarHBondContact O-OG 3.43Å; Y266-A278 HydrophobicContact CE2-CB 4.05Å |
| 267 | H | 87.2 | Confident | 86.1 | Confident | 130 Ų | 130 | 89.3 Ų | 89.3 | 60% | 0.602 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.5 | -49.6 | 178.5 | -173.7 | 59.7 | 0 | 0 | 0 | 111.5 | G263 Q264 L269 S270 E271 | G263-H267 WeakPolarHBondContact O-CB 3.42Å; G263-H267 PolarHBondContact O-N 3.45Å; Q264-H267 PolarHBondContact O-N 3.42Å; H267-L269 PolarHBondContact O-N 3.46Å; H267-S270 PolarHBondContact O-N 3.06Å; H267-S270 PolarHBondContact O-OG 3.49Å; H267-E271 PolarHBondContact O-N 3.49Å |
| 268 | N | 87 | Confident | 85.8 | Confident | 93 Ų | 93 | 86.3 Ų | 86.3 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 178 | -67.1 | -9.4 | 0 | 0 | 0 | 112.3 | Q264 Y266 Y272 | Q264-N268 WeakPolarHBondContact O-CB 3.4Å; Q264-N268 VanDerWaalsContact O-CG 3.24Å; Q264-N268 PolarHBondContact O-N 3.18Å; Y266-N268 PolarHBondContact O-N 2.95Å; N268-Y272 VanDerWaalsContact O-CD2 3.28Å; N268-Y272 WeakPolarHBondContact O-CD2 3.36Å |
| 269 | L | 85 | Confident | 85.8 | Confident | 39 Ų | 39 | 84.1 Ų | 84.1 | 20% | 0.204 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 177.1 | -76.2 | 170.4 | 0 | 0 | 0 | 112.4 | L265 Y266 H267 E271 Y272 V273 I281 C282 | L265-L269 HydrophobicContact CD1-CD1 4.06Å; L265-L269 HydrophobicContact CD1-CG 4.43Å; L265-L269 HydrophobicContact CD2-CD1 4.48Å; L265-L269 HydrophobicContact CG-CD1 3.85Å; L265-L269 WeakPolarHBondContact O-CB 3.22Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.38Å; L265-L269 PolarHBondContact O-N 3.44Å; Y266-L269 PolarHBondContact O-N 3Å; H267-L269 PolarHBondContact O-N 3.46Å; L269-E271 PolarHBondContact O-N 2.96Å; L269-Y272 PolarHBondContact O-N 3.01Å; L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 PolarHBondContact O-N 2.93Å; L269-I281 HydrophobicContact CD1-CG2 4.2Å; L269-C282 VanDerWaalsContact CD1-SG 3.58Å |
| 270 | S | 84.7 | Confident | 85.7 | Confident | 45 Ų | 45 | 89.6 Ų | 89.6 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.1 | -21.3 | -179.6 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | Y266 H267 | Y266-S270 VanDerWaalsContact O-CB 3.29Å; Y266-S270 WeakPolarHBondContact O-CB 3.13Å; Y266-S270 PolarHBondContact O-N 2.99Å; Y266-S270 PolarHBondContact O-OG 3.43Å; H267-S270 PolarHBondContact O-N 3.06Å; H267-S270 PolarHBondContact O-OG 3.49Å |
| 271 | E | 85.6 | Confident | 85.4 | Confident | 145 Ų | 145 | 88 Ų | 88 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.5 | -34.5 | 173.6 | -170.7 | 174.7 | -166.5 | 0 | 0 | 112.2 | H267 L269 | H267-E271 PolarHBondContact O-N 3.49Å; L269-E271 PolarHBondContact O-N 2.96Å |
| 272 | Y | 86.2 | Confident | 85.2 | Confident | 186 Ų | 186 | 86.9 Ų | 86.9 | 73% | 0.729 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -102.4 | -24.6 | -176.6 | -61.8 | -84.8 | 0 | 0 | 0 | 113.5 | N268 L269 | N268-Y272 VanDerWaalsContact O-CD2 3.28Å; N268-Y272 WeakPolarHBondContact O-CD2 3.36Å; L269-Y272 PolarHBondContact O-N 3.01Å |
| 273 | V | 83.4 | Confident | 85 | Confident | 31 Ų | 31 | 88.6 Ų | 88.6 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -116.8 | 134.6 | -172.3 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | L269 F275 I277 A278 I281 | L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 PolarHBondContact O-N 2.93Å; V273-F275 PolarHBondContact O-N 3.45Å; V273-I277 HydrophobicContact CG1-CB 3.91Å; V273-I277 HydrophobicContact CG1-CG2 4.06Å; V273-A278 HydrophobicContact CG1-CB 4.49Å; V273-I281 HydrophobicContact CG1-CD1 3.9Å; V273-I281 HydrophobicContact CG2-CD1 4.17Å |
| 274 | P | 84 | Confident | 84.9 | Confident | 78 Ų | 78 | 92.8 Ų | 92.8 | 51% | 0.506 | 45% | 0.445 | S | S | . | . | trans | -56.2 | 141.1 | 174.9 | 22.3 | -33.6 | 0 | 0 | 0 | 112.1 | W276 I277 A278 | P274-W276 PolarHBondContact O-N 2.99Å; P274-I277 HydrophobicContact CG-CD1 4.09Å; P274-I277 PolarHBondContact O-N 3.37Å; P274-A278 PolarHBondContact O-N 3.32Å | ||
| 275 | F | 84.4 | Confident | 84.7 | Confident | 129 Ų | 129 | 89.5 Ų | 89.5 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.9 | -168.3 | 74 | -96.5 | 0 | 0 | 0 | 115 | V273 P279 | V273-F275 PolarHBondContact O-N 3.45Å; F275-P279 WeakPolarHBondContact O-CD 3.45Å |
| 276 | W | 84.8 | Confident | 84.6 | Confident | 186 Ų | 186 | 89.8 Ų | 89.8 | 71% | 0.705 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -30.1 | 178.6 | -50.5 | 81.8 | 0 | 0 | 0 | 113.2 | P274 F280 | P274-W276 PolarHBondContact O-N 2.99Å; W276-F280 WeakPolarHBondContact O-CD2 3.47Å; W276-F280 WeakPolarHBondContact O-CE2 3.38Å |
| 277 | I | 86 | Confident | 84.6 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -30.6 | -176.1 | -59.6 | 174.2 | 0 | 0 | 0 | 111.1 | V273 P274 P279 F280 I281 | V273-I277 HydrophobicContact CG1-CB 3.91Å; V273-I277 HydrophobicContact CG1-CG2 4.06Å; P274-I277 HydrophobicContact CG-CD1 4.09Å; P274-I277 PolarHBondContact O-N 3.37Å; I277-P279 VanDerWaalsContact C-CD 3.45Å; I277-F280 PolarHBondContact O-N 3.22Å; I277-F280 VanDerWaalsContact O-N 3.09Å; I277-I281 HydrophobicContact CG2-CD1 3.87Å; I277-I281 HydrophobicContact CG2-CG1 4.06Å; I277-I281 PolarHBondContact O-N 2.93Å |
| 278 | A | 80.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -47.2 | -45.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y266 V273 P274 F280 I281 C282 | Y266-A278 HydrophobicContact CE2-CB 4.05Å; V273-A278 HydrophobicContact CG1-CB 4.49Å; P274-A278 PolarHBondContact O-N 3.32Å; A278-F280 PolarHBondContact O-N 2.89Å; A278-I281 PolarHBondContact O-N 3.35Å; A278-C282 PolarHBondContact O-N 3.31Å; A278-C282 PolarHBondContact O-SG 2.84Å |
| 279 | P | 83.9 | Confident | 84.2 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.4 | 24.7 | -34.3 | 0 | 0 | 0 | 112.9 | F275 I277 C282 V283 | F275-P279 WeakPolarHBondContact O-CD 3.45Å; I277-P279 VanDerWaalsContact C-CD 3.45Å; P279-C282 PolarHBondContact O-N 3.16Å; P279-V283 WeakPolarHBondContact O-CG2 3.06Å; P279-V283 PolarHBondContact O-N 3.48Å |
| 280 | F | 86.9 | Confident | 84.2 | Confident | 156 Ų | 156 | 89.6 Ų | 89.6 | 68% | 0.684 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 178.2 | -65.5 | -76.3 | 0 | 0 | 0 | 111.7 | W276 I277 A278 V283 F284 | W276-F280 WeakPolarHBondContact O-CD2 3.47Å; W276-F280 WeakPolarHBondContact O-CE2 3.38Å; I277-F280 PolarHBondContact O-N 3.22Å; I277-F280 VanDerWaalsContact O-N 3.09Å; A278-F280 PolarHBondContact O-N 2.89Å; F280-V283 PolarHBondContact O-N 3.25Å; F280-F284 WeakPolarHBondContact O-CB 3.49Å; F280-F284 PolarHBondContact O-N 2.98Å |
| 281 | I | 82.7 | Confident | 84 | Confident | 57 Ų | 57 | 92.3 Ų | 92.3 | 29% | 0.292 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.2 | -61.7 | 179.1 | 0 | 0 | 0 | 110.3 | L269 V273 I277 A278 V283 F284 C285 | L269-I281 HydrophobicContact CD1-CG2 4.2Å; V273-I281 HydrophobicContact CG1-CD1 3.9Å; V273-I281 HydrophobicContact CG2-CD1 4.17Å; I277-I281 HydrophobicContact CG2-CD1 3.87Å; I277-I281 HydrophobicContact CG2-CG1 4.06Å; I277-I281 PolarHBondContact O-N 2.93Å; A278-I281 PolarHBondContact O-N 3.35Å; I281-V283 PolarHBondContact O-N 3.19Å; I281-F284 PolarHBondContact O-N 2.86Å; I281-C285 WeakPolarHBondContact O-CB 3.27Å; I281-C285 PolarHBondContact O-N 3.39Å; I281-C285 PolarHBondContact O-SG 3.33Å; I281-C285 VanDerWaalsContact O-SG 3.34Å |
| 282 | C | 83.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 88.1 Ų | 88.1 | 7% | 0.074 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 177.3 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | L269 A278 P279 F284 C285 M286 | L269-C282 VanDerWaalsContact CD1-SG 3.58Å; A278-C282 PolarHBondContact O-N 3.31Å; A278-C282 PolarHBondContact O-SG 2.84Å; P279-C282 PolarHBondContact O-N 3.16Å; C282-F284 VanDerWaalsContact C-N 3.33Å; C282-F284 PolarHBondContact O-N 2.86Å; C282-C285 PolarHBondContact O-N 3.44Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.45Å; C282-M286 PolarHBondContact O-N 3.37Å |
| 283 | V | 83.5 | Confident | 83.7 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 62% | 0.624 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 111 | P279 F280 I281 M286 F287 | P279-V283 WeakPolarHBondContact O-CG2 3.06Å; P279-V283 PolarHBondContact O-N 3.48Å; F280-V283 PolarHBondContact O-N 3.25Å; I281-V283 PolarHBondContact O-N 3.19Å; V283-M286 PolarHBondContact O-N 3.36Å; V283-F287 WeakPolarHBondContact O-CB 3.22Å; V283-F287 PolarHBondContact O-N 3.18Å |
| 284 | F | 84.9 | Confident | 83.6 | Confident | 128 Ų | 128 | 88.4 Ų | 88.4 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 176.4 | -179.2 | -98.9 | 0 | 0 | 0 | 112.3 | F280 I281 C282 M286 F287 M288 | F280-F284 WeakPolarHBondContact O-CB 3.49Å; F280-F284 PolarHBondContact O-N 2.98Å; I281-F284 PolarHBondContact O-N 2.86Å; C282-F284 VanDerWaalsContact C-N 3.33Å; C282-F284 PolarHBondContact O-N 2.86Å; F284-M286 VanDerWaalsContact C-N 3.31Å; F284-M286 PolarHBondContact O-N 3.47Å; F284-F287 PolarHBondContact O-N 2.9Å; F284-M288 HydrophobicContact CD1-CG 4.19Å; F284-M288 HydrophobicContact CE1-CG 3.75Å; F284-M288 HydrophobicContact CE2-CG 4.2Å; F284-M288 HydrophobicContact CE2-SD 4.46Å; F284-M288 HydrophobicContact CZ-CG 3.75Å; F284-M288 HydrophobicContact CZ-SD 4.1Å; F284-M288 WeakPolarHBondContact O-CG 3.32Å; F284-M288 PolarHBondContact O-N 3.49Å |
| 285 | C | 83.6 | Confident | 83.4 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 36% | 0.358 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 175.3 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | L265 I281 C282 M288 G289 | L265-C285 HydrophobicContact CD2-CB 4.28Å; I281-C285 WeakPolarHBondContact O-CB 3.27Å; I281-C285 PolarHBondContact O-N 3.39Å; I281-C285 PolarHBondContact O-SG 3.33Å; I281-C285 VanDerWaalsContact O-SG 3.34Å; C282-C285 PolarHBondContact O-N 3.44Å; C285-M288 PolarHBondContact O-N 3.13Å; C285-G289 PolarHBondContact O-N 3.07Å |
| 286 | M | 83.7 | Confident | 83.1 | Confident | 70 Ų | 70 | 87.2 Ų | 87.2 | 35% | 0.345 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.4 | -72.2 | -59.8 | -66.4 | 0 | 0 | 111.7 | I262 C282 V283 F284 M288 G289 V290 | I262-M286 HydrophobicContact CD1-CE 3.64Å; I262-M286 HydrophobicContact CD1-SD 4.17Å; I262-M286 HydrophobicContact CG1-CE 3.89Å; I262-M286 HydrophobicContact CG1-SD 3.75Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.45Å; C282-M286 PolarHBondContact O-N 3.37Å; V283-M286 PolarHBondContact O-N 3.36Å; F284-M286 VanDerWaalsContact C-N 3.31Å; F284-M286 PolarHBondContact O-N 3.47Å; M286-M288 PolarHBondContact O-N 3.48Å; M286-G289 PolarHBondContact O-N 2.85Å; M286-V290 WeakPolarHBondContact O-CG2 3.38Å; M286-V290 PolarHBondContact O-N 2.83Å |
| 287 | F | 85.5 | Confident | 82.7 | Confident | 141 Ų | 141 | 82 Ų | 82 | 62% | 0.618 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 177.7 | -169.1 | -95.4 | 0 | 0 | 0 | 112 | V283 F284 V290 F291 | V283-F287 WeakPolarHBondContact O-CB 3.22Å; V283-F287 PolarHBondContact O-N 3.18Å; F284-F287 PolarHBondContact O-N 2.9Å; F287-V290 PolarHBondContact O-N 3.33Å; F287-F291 WeakPolarHBondContact O-CB 3.11Å; F287-F291 PolarHBondContact O-N 3.02Å |
| 288 | M | 84.1 | Confident | 82 | Confident | 92 Ų | 92 | 84.3 Ų | 84.3 | 45% | 0.453 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.3 | -71.7 | -61.1 | -69.7 | 0 | 0 | 112.1 | F284 C285 M286 F291 A292 | F284-M288 HydrophobicContact CD1-CG 4.19Å; F284-M288 HydrophobicContact CE1-CG 3.75Å; F284-M288 HydrophobicContact CE2-CG 4.2Å; F284-M288 HydrophobicContact CE2-SD 4.46Å; F284-M288 HydrophobicContact CZ-CG 3.75Å; F284-M288 HydrophobicContact CZ-SD 4.1Å; F284-M288 WeakPolarHBondContact O-CG 3.32Å; F284-M288 PolarHBondContact O-N 3.49Å; C285-M288 PolarHBondContact O-N 3.13Å; M286-M288 PolarHBondContact O-N 3.48Å; M288-F291 PolarHBondContact O-N 3.2Å; M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.24Å; M288-A292 PolarHBondContact O-N 3.32Å |
| 289 | G | 82.7 | Confident | 81.7 | Confident | 41 Ų | 41 | 94.6 Ų | 94.6 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | C285 M286 A292 F293 | C285-G289 PolarHBondContact O-N 3.07Å; M286-G289 PolarHBondContact O-N 2.85Å; G289-A292 PolarHBondContact O-N 3.16Å; G289-F293 VanDerWaalsContact O-CB 3.31Å; G289-F293 WeakPolarHBondContact O-CB 3.27Å; G289-F293 PolarHBondContact O-N 2.95Å |
| 290 | V | 83.6 | Confident | 81.1 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | M286 F287 A292 F293 V294 | M286-V290 WeakPolarHBondContact O-CG2 3.38Å; M286-V290 PolarHBondContact O-N 2.83Å; F287-V290 PolarHBondContact O-N 3.33Å; V290-A292 PolarHBondContact O-N 3.36Å; V290-F293 PolarHBondContact O-N 3.34Å; V290-V294 HydrophobicContact CG1-CG2 4.35Å; V290-V294 VanDerWaalsContact O-CG2 3.31Å; V290-V294 WeakPolarHBondContact O-CG2 3.5Å; V290-V294 PolarHBondContact O-N 2.85Å |
| 291 | F | 81.1 | Confident | 80.2 | Confident | 102 Ų | 102 | 98.1 Ų | 98.1 | 45% | 0.447 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.2 | -179.2 | -101.7 | 0 | 0 | 0 | 112.4 | F287 M288 V294 K295 | F287-F291 WeakPolarHBondContact O-CB 3.11Å; F287-F291 PolarHBondContact O-N 3.02Å; M288-F291 PolarHBondContact O-N 3.2Å; F291-V294 PolarHBondContact O-N 2.88Å; F291-K295 HydrophobicContact CE1-CD 3.79Å; F291-K295 HydrophobicContact CZ-CD 3.95Å; F291-K295 HydrophobicContact CZ-CG 4.48Å; F291-K295 PolarHBondContact O-N 3.41Å |
| 292 | A | 82.6 | Confident | 79 | Confident | 57 Ų | 57 | 96.7 Ų | 96.7 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M288 G289 V290 K295 S296 | M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.24Å; M288-A292 PolarHBondContact O-N 3.32Å; G289-A292 PolarHBondContact O-N 3.16Å; V290-A292 PolarHBondContact O-N 3.36Å; A292-K295 PolarHBondContact O-N 3.49Å; A292-S296 WeakPolarHBondContact O-CB 3.38Å; A292-S296 PolarHBondContact O-N 2.9Å |
| 293 | F | 82.3 | Confident | 78 | Confident | 136 Ų | 136 | 102 Ų | 102 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 176.6 | -176.3 | -105.3 | 0 | 0 | 0 | 112 | G289 V290 K295 S296 I297 | G289-F293 VanDerWaalsContact O-CB 3.31Å; G289-F293 WeakPolarHBondContact O-CB 3.27Å; G289-F293 PolarHBondContact O-N 2.95Å; V290-F293 PolarHBondContact O-N 3.34Å; F293-K295 PolarHBondContact O-N 3.25Å; F293-S296 WeakPolarHBondContact O-CB 3.29Å; F293-S296 PolarHBondContact O-N 3.35Å; F293-S296 VanDerWaalsContact O-N 3.16Å; F293-I297 HydrophobicContact CD1-CD1 3.75Å; F293-I297 HydrophobicContact CE1-CD1 3.24Å; F293-I297 HydrophobicContact CE1-CG1 4.31Å; F293-I297 HydrophobicContact CE2-CD1 4.26Å; F293-I297 HydrophobicContact CG-CD1 4.46Å; F293-I297 HydrophobicContact CZ-CD1 3.54Å; F293-I297 HydrophobicContact CZ-CG1 4.33Å; F293-I297 PolarHBondContact O-N 3.4Å |
| 294 | V | 81.2 | Confident | 76.7 | Confident | 87 Ų | 87 | 102.1 Ų | 102.1 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | V290 F291 S296 I297 H298 | V290-V294 HydrophobicContact CG1-CG2 4.35Å; V290-V294 VanDerWaalsContact O-CG2 3.31Å; V290-V294 WeakPolarHBondContact O-CG2 3.5Å; V290-V294 PolarHBondContact O-N 2.85Å; F291-V294 PolarHBondContact O-N 2.88Å; V294-S296 VanDerWaalsContact C-N 3.32Å; V294-S296 PolarHBondContact O-N 3.47Å; V294-I297 PolarHBondContact O-N 3.25Å; V294-H298 WeakPolarHBondContact O-CB 3.41Å; V294-H298 PolarHBondContact O-N 3.49Å |
| 295 | K | 79.9 | Confident | 75.4 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 54% | 0.543 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 175 | -96.7 | -171 | 167.3 | 174.8 | 0 | 112.9 | F291 A292 F293 R299 | F291-K295 HydrophobicContact CE1-CD 3.79Å; F291-K295 HydrophobicContact CZ-CD 3.95Å; F291-K295 HydrophobicContact CZ-CG 4.48Å; F291-K295 PolarHBondContact O-N 3.41Å; A292-K295 PolarHBondContact O-N 3.49Å; F293-K295 PolarHBondContact O-N 3.25Å; K295-R299 PolarHBondContact O-N 2.97Å |
| 296 | S | 77.9 | Confident | 73.8 | Confident | 58 Ų | 58 | 106.5 Ų | 106.5 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -49.4 | 176.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | A292 F293 V294 H298 R299 F300 | A292-S296 WeakPolarHBondContact O-CB 3.38Å; A292-S296 PolarHBondContact O-N 2.9Å; F293-S296 WeakPolarHBondContact O-CB 3.29Å; F293-S296 PolarHBondContact O-N 3.35Å; F293-S296 VanDerWaalsContact O-N 3.16Å; V294-S296 VanDerWaalsContact C-N 3.32Å; V294-S296 PolarHBondContact O-N 3.47Å; S296-H298 PolarHBondContact O-N 3.34Å; S296-R299 WeakPolarHBondContact O-CB 3.38Å; S296-R299 PolarHBondContact O-N 3.36Å; S296-R299 VanDerWaalsContact O-N 3.13Å; S296-F300 WeakPolarHBondContact O-CD2 3.38Å; S296-F300 PolarHBondContact O-N 3.14Å; S296-F300 VanDerWaalsContact O-N 3.07Å |
| 297 | I | 76.9 | Confident | 72.5 | Confident | 77 Ų | 77 | 110.1 Ų | 110.1 | 40% | 0.395 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.2 | -48.6 | 176.5 | -68.6 | 174.2 | 0 | 0 | 0 | 110.5 | F293 V294 R299 F300 T301 | F293-I297 HydrophobicContact CD1-CD1 3.75Å; F293-I297 HydrophobicContact CE1-CD1 3.24Å; F293-I297 HydrophobicContact CE1-CG1 4.31Å; F293-I297 HydrophobicContact CE2-CD1 4.26Å; F293-I297 HydrophobicContact CG-CD1 4.46Å; F293-I297 HydrophobicContact CZ-CD1 3.54Å; F293-I297 HydrophobicContact CZ-CG1 4.33Å; F293-I297 PolarHBondContact O-N 3.4Å; V294-I297 PolarHBondContact O-N 3.25Å; I297-R299 PolarHBondContact O-N 3.47Å; I297-F300 PolarHBondContact O-N 3.15Å; I297-T301 HydrophobicContact CG2-CG2 4.15Å; I297-T301 PolarHBondContact O-N 3.09Å; I297-T301 PolarHBondContact O-OG1 2.67Å; I297-T301 VanDerWaalsContact O-OG1 3.1Å |
| 298 | H | 72.1 | Confident | 70.9 | Confident | 138 Ų | 138 | 114.1 Ų | 114.1 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.1 | -31.2 | -179.8 | -168.6 | -62.3 | 0 | 0 | 0 | 112.7 | V294 S296 G302 | V294-H298 WeakPolarHBondContact O-CB 3.41Å; V294-H298 PolarHBondContact O-N 3.49Å; S296-H298 PolarHBondContact O-N 3.34Å; H298-G302 PolarHBondContact O-N 3.48Å; H298-G302 VanDerWaalsContact O-N 3.07Å |
| 299 | R | 74 | Confident | 69.3 | Low | 217 Ų | 217 | 121.2 Ų | 121.2 | 82% | 0.819 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71 | -36 | 172.8 | -81.3 | -174.8 | 177.6 | -170.3 | 0.2 | 112.5 | K295 S296 I297 | K295-R299 PolarHBondContact O-N 2.97Å; S296-R299 WeakPolarHBondContact O-CB 3.38Å; S296-R299 PolarHBondContact O-N 3.36Å; S296-R299 VanDerWaalsContact O-N 3.13Å; I297-R299 PolarHBondContact O-N 3.47Å |
| 300 | F | 69.9 | Low | 68 | Low | 178 Ų | 178 | 124.8 Ų | 124.8 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.9 | -34.8 | 177.7 | -90.1 | -79.5 | 0 | 0 | 0 | 113.2 | S296 I297 | S296-F300 WeakPolarHBondContact O-CD2 3.38Å; S296-F300 PolarHBondContact O-N 3.14Å; S296-F300 VanDerWaalsContact O-N 3.07Å; I297-F300 PolarHBondContact O-N 3.15Å |
| 301 | T | 69.7 | Low | 66.6 | Low | 107 Ų | 107 | 132.3 Ų | 132.3 | 66% | 0.656 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -89.4 | -7.8 | 178.7 | 59 | 0 | 0 | 0 | 0 | 113.7 | I297 | I297-T301 HydrophobicContact CG2-CG2 4.15Å; I297-T301 PolarHBondContact O-N 3.09Å; I297-T301 PolarHBondContact O-OG1 2.67Å; I297-T301 VanDerWaalsContact O-OG1 3.1Å |
| 302 | G | 55.9 | Low | 65.3 | Low | 27 Ų | 27 | 135.3 Ų | 135.3 | 28% | 0.278 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -60.7 | 147.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H298 | H298-G302 PolarHBondContact O-N 3.48Å; H298-G302 VanDerWaalsContact O-N 3.07Å |
| 303 | P | 62.9 | Low | 63.8 | Low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 140.5 | 178.5 | 23.2 | -32.5 | 0 | 0 | 0 | 109.8 | S305 | P303-S305 PolarHBondContact O-N 2.91Š|
| 304 | P | 57.1 | Low | 62.5 | Low | 106 Ų | 106 | 143.3 Ų | 143.3 | 69% | 0.688 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.3 | 179.7 | 22.6 | -31.9 | 0 | 0 | 0 | 108.4 | H306 | P304-H306 PolarHBondContact O-N 2.96Š|
| 305 | S | 56.4 | Low | 61.2 | Low | 97 Ų | 97 | 148.7 Ų | 148.7 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | trans | -50.9 | 110.6 | 172.3 | 170.3 | 0 | 0 | 0 | 0 | 107.7 | P303 N307 | P303-S305 PolarHBondContact O-N 2.91Å; S305-N307 PolarHBondContact O-N 3.22Å | ||
| 306 | H | 51.1 | Low | 60 | Low | 177 Ų | 177 | 148 Ų | 148 | 82% | 0.819 | 72% | 0.724 | S | S | * | * | trans | -71.2 | 78.8 | 178.3 | -155.8 | -59.1 | 0 | 0 | 0 | 106.9 | P304 R308 | P304-H306 PolarHBondContact O-N 2.96Å; H306-R308 PolarHBondContact O-N 3.39Å | ||
| 307 | N | 55.4 | Low | 59.1 | Low | 145 Ų | 145 | 150.7 Ų | 150.7 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | -62.2 | 94.7 | 171.7 | -95.2 | -11 | 0 | 0 | 0 | 107.4 | S305 R309 | S305-N307 PolarHBondContact O-N 3.22Å; N307-R309 PolarHBondContact O-N 2.89Å | ||
| 308 | R | 51.3 | Low | 58 | Low | 225 Ų | 225 | 152.5 Ų | 152.5 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | trans | -38.8 | 108.9 | 171.4 | -126 | 173.3 | -175.4 | 171.2 | 1.6 | 108.1 | H306 V310 | H306-R308 PolarHBondContact O-N 3.39Å; R308-V310 PolarHBondContact O-N 3.19Å | ||
| 309 | R | 52 | Low | 57.3 | Low | 241 Ų | 241 | 152.1 Ų | 152.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -55 | 113.8 | 160.6 | -84.7 | -175.8 | -171.5 | 174.4 | 3.1 | 106.6 | N307 R311 | N307-R309 PolarHBondContact O-N 2.89Å; R309-R311 PolarHBondContact O-N 3.11Å | ||
| 310 | V | 55.1 | Low | 56.4 | Low | 116 Ų | 116 | 147.6 Ų | 147.6 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | -60.4 | 104.2 | 169.3 | 177.5 | 0 | 0 | 0 | 0 | 106.3 | R308 H312 | R308-V310 PolarHBondContact O-N 3.19Å; V310-H312 PolarHBondContact O-N 3.04Å | ||
| 311 | R | 53.7 | Low | 55.7 | Low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 102.5 | 166.9 | -108.3 | -176.5 | 177.8 | -177.4 | -0.4 | 106 | R309 K313 | R309-R311 PolarHBondContact O-N 3.11Å; R311-K313 PolarHBondContact O-N 2.81Å | ||
| 312 | H | 53 | Low | 55.1 | Low | 164 Ų | 164 | 147 Ų | 147 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -59.6 | 104.7 | 165.4 | -79.4 | -81.9 | 0 | 0 | 0 | 107.7 | V310 I314 | V310-H312 PolarHBondContact O-N 3.04Å; H312-I314 VanDerWaalsContact C-N 3.35Å; H312-I314 PolarHBondContact O-N 2.75Å | ||
| 313 | K | 52 | Low | 55.1 | Low | 202 Ų | 202 | 151.6 Ų | 151.6 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 95.9 | 171.6 | -145.6 | -179.8 | -172.6 | -173.7 | 0 | 105.7 | R311 K315 | R311-K313 PolarHBondContact O-N 2.81Å; K313-K315 PolarHBondContact O-N 2.88Å | ||
| 314 | I | 54.5 | Low | 54.6 | Low | 159 Ų | 159 | 154.9 Ų | 154.9 | 82% | 0.815 | 82% | 0.824 | S | S | * | * | trans | -59.1 | 108.3 | 170.9 | -63.5 | 171.4 | 0 | 0 | 0 | 105.9 | H312 S316 | H312-I314 VanDerWaalsContact C-N 3.35Å; H312-I314 PolarHBondContact O-N 2.75Å; I314-S316 PolarHBondContact O-N 3.01Å; I314-S316 VanDerWaalsContact O-N 3.12Å | ||
| 315 | K | 53.9 | Low | 54.5 | Low | 200 Ų | 200 | 157.3 Ų | 157.3 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | trans | -73.8 | 99.1 | 178.2 | -142.8 | 177.8 | -175.2 | -174.6 | 0 | 105.7 | K313 S317 | K313-K315 PolarHBondContact O-N 2.88Å; K315-S317 PolarHBondContact O-N 3.39Å; K315-S317 VanDerWaalsContact O-N 3.08Å | ||
| 316 | S | 56 | Low | 54.4 | Low | 111 Ų | 111 | 160.5 Ų | 160.5 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | trans | -57.4 | 110.3 | 169.7 | 52.6 | 0 | 0 | 0 | 0 | 108.4 | I314 S318 | I314-S316 PolarHBondContact O-N 3.01Å; I314-S316 VanDerWaalsContact O-N 3.12Å; S316-S318 PolarHBondContact O-N 2.97Å | ||
| 317 | S | 57.8 | Low | 54.6 | Low | 114 Ų | 114 | 159.6 Ų | 159.6 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | -66.3 | 113.2 | 171.9 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | K315 T319 | K315-S317 PolarHBondContact O-N 3.39Å; K315-S317 VanDerWaalsContact O-N 3.08Å; S317-T319 PolarHBondContact O-N 3.47Å | ||
| 318 | S | 54.2 | Low | 54.5 | Low | 115 Ų | 115 | 160.4 Ų | 160.4 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 122.5 | 167.7 | 49 | 0 | 0 | 0 | 0 | 109.8 | S316 | S316-S318 PolarHBondContact O-N 2.97Š|
| 319 | T | 56.6 | Low | 54.7 | Low | 130 Ų | 130 | 156.4 Ų | 156.4 | 80% | 0.798 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 137 | 170.2 | 37 | 0 | 0 | 0 | 0 | 111.9 | S317 | S317-T319 PolarHBondContact O-N 3.47Š|
| 320 | P | 56.4 | Low | 54.9 | Low | 123 Ų | 123 | 150.7 Ų | 150.7 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 138.9 | 179.4 | 29.9 | -31.7 | 0 | 0 | 0 | 111.7 | ||
| 321 | S | 54.4 | Low | 54.9 | Low | 105 Ų | 105 | 153.2 Ų | 153.2 | 73% | 0.734 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 126.8 | 176.6 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | T323 | S321-T323 PolarHBondContact O-N 2.9Š|
| 322 | I | 57 | Low | 55 | Low | 167 Ų | 167 | 146.4 Ų | 146.4 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | -74.8 | 114.4 | 170.2 | -63.8 | 169.7 | 0 | 0 | 0 | 108 | ||||
| 323 | T | 55.3 | Low | 55.1 | Low | 124 Ų | 124 | 144.9 Ų | 144.9 | 76% | 0.761 | 85% | 0.851 | S | S | * | * | trans | -120.9 | 107.4 | 164.8 | 45.3 | 0 | 0 | 0 | 0 | 108.7 | S321 | S321-T323 PolarHBondContact O-N 2.9Š| ||
| 324 | S | 53.4 | Low | 55.4 | Low | 189 Ų | 189 | 139.7 Ų | 139.7 | 100% | 1.322 | 85% | 0.848 | S | S | * | * | trans | 179 | 0 | 133.6 | 60.7 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 324 of 324 residues in 87.4 ms
(Link to these results)