| 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 | 46.9 | Very low | 35.3 | Very low | 249 Ų | 249 | 190.8 Ų | 190.8 | 100% | 1.227 | 87% | 0.871 | S | S | * | * | 0 | 107.2 | 0 | -93.3 | -126.1 | -115.5 | 0 | 0 | 107.8 | |||||
| 2 | A | 38.9 | Very low | 34.8 | Very low | 96 Ų | 96 | 180.9 Ų | 180.9 | 79% | 0.793 | 86% | 0.86 | S | S | * | * | trans | 129 | 105.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | E | 32.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 186.8 Ų | 186.8 | 90% | 0.897 | 87% | 0.869 | S | S | * | * | trans | 155.9 | 40.3 | 150.1 | -86.6 | -179.6 | 153.1 | 0 | 0 | 111.7 | H5 | E3-H5 PolarHBondContact O-N 3.09Å; E3-H5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | L | 36.6 | Very low | 34.1 | Very low | 176 Ų | 176 | 178.9 Ų | 178.9 | 92% | 0.921 | 86% | 0.863 | S | S | * | * | trans | -82 | 49 | 163.4 | -110.4 | 162.2 | 0 | 0 | 0 | 110.2 | ||||
| 5 | H | 36.8 | Very low | 33.7 | Very low | 180 Ų | 180 | 174.8 Ų | 174.8 | 83% | 0.833 | 86% | 0.86 | S | S | * | * | trans | -129.5 | 122.5 | 171.4 | -94.1 | -86.6 | 0 | 0 | 0 | 109.7 | E3 | E3-H5 PolarHBondContact O-N 3.09Å; E3-H5 VanDerWaalsContact O-N 3.09Å | ||
| 6 | R | 35 | Very low | 34.1 | Very low | 220 Ų | 220 | 171.6 Ų | 171.6 | 83% | 0.83 | 86% | 0.856 | S | S | * | * | S | Bend | trans | 104.8 | 120.4 | 155.6 | -150.2 | 176.7 | 170.9 | 173.2 | -2 | 114 | ||
| 7 | R | 32.7 | Very low | 34.5 | Very low | 213 Ų | 213 | 168.2 Ų | 168.2 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | 101.4 | 75.2 | 160.3 | -51.5 | -167.5 | -179.2 | -155 | -0.7 | 116.9 | ||||
| 8 | R | 33.2 | Very low | 34.4 | Very low | 232 Ų | 232 | 164.4 Ų | 164.4 | 88% | 0.875 | 85% | 0.849 | S | S | * | * | -161.6 | 111.8 | 123.1 | -129.9 | 160.7 | 84.9 | 173.6 | 4.3 | 112 | |||||
| 9 | N | 31.2 | Very low | 34 | Very low | 130 Ų | 130 | 161.1 Ų | 161.1 | 70% | 0.695 | 85% | 0.848 | S | S | * | * | trans | 42 | 113.5 | 137.7 | -67.1 | 6 | 0 | 0 | 0 | 117.8 | ||||
| 10 | E | 31.9 | Very low | 33.7 | Very low | 169 Ų | 169 | 157.2 Ų | 157.2 | 79% | 0.79 | 85% | 0.848 | S | S | * | * | 51.5 | 102.7 | 85.9 | -67.9 | -168.1 | 158 | 0 | 0 | 112.7 | |||||
| 11 | R | 32.4 | Very low | 33.5 | Very low | 242 Ų | 242 | 154.3 Ų | 154.3 | 91% | 0.913 | 85% | 0.846 | S | S | * | * | 165.3 | 117.3 | 114.4 | -97 | 174.6 | 167.2 | 176.9 | -4.6 | 109.4 | |||||
| 12 | G | 30.2 | Very low | 32.5 | Very low | 72 Ų | 72 | 147.6 Ų | 147.6 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | -66.1 | 149.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | R | 32 | Very low | 31.9 | Very low | 257 Ų | 257 | 148.9 Ų | 148.9 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | trans | 161.4 | 126.3 | 134.4 | -97.7 | 179 | 164.9 | -175.1 | -3.9 | 109.3 | ||||
| 14 | G | 27.5 | Very low | 31.8 | Very low | 77 Ų | 77 | 145 Ų | 145 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 166 | 100.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 15 | S | 27.8 | Very low | 31.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -69.1 | -168.6 | 178.2 | -24.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 16 | P | 41 | Very low | 30.8 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | cis | -132 | -135.3 | -23.5 | 30.7 | -4 | 0 | 0 | 0 | 112.2 | ||||
| 17 | P | 40.3 | Very low | 30.4 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | -117 | 171.8 | -112.8 | 38.7 | -19 | 0 | 0 | 0 | 117.5 | |||||
| 18 | A | 33.2 | Very low | 30.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | 42.4 | 113.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 19 | A | 26.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -166.2 | 123.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 20 | G | 27.6 | Very low | 29.8 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 54.6 | 106.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 21 | A | 28.8 | Very low | 29.8 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -149.8 | 98.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | S | 26.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 0.9 | 118 | 147.7 | 52 | 0 | 0 | 0 | 0 | 117.3 | P24 | S22-P24 WeakPolarHBondContact O-CD 3.33Š| ||
| 23 | S | 27.3 | Very low | 30.2 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -57 | 125.3 | 160 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | P | 29.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -90.6 | 113.4 | 154.9 | 6.3 | 14.3 | 0 | 0 | 0 | 107.8 | S22 | S22-P24 WeakPolarHBondContact O-CD 3.33Š| ||
| 25 | S | 26.5 | Very low | 31.8 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | 25.9 | 109.3 | 135.1 | 50.6 | 0 | 0 | 0 | 0 | 115.9 | V27 | S25-V27 PolarHBondContact O-N 2.85Š| ||
| 26 | G | 25.2 | Very low | 33.1 | Very low | 82 Ų | 82 | 118 Ų | 118 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -47.2 | 104.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q28 | G26-Q28 VanDerWaalsContact C-N 3.27Å; G26-Q28 PolarHBondContact O-N 2.96Å | ||
| 27 | V | 27.7 | Very low | 34.7 | Very low | 132 Ų | 132 | 116.6 Ų | 116.6 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -62.1 | 100.4 | 158.2 | 175.7 | 0 | 0 | 0 | 0 | 104.6 | S25 R29 | S25-V27 PolarHBondContact O-N 2.85Å; V27-R29 VanDerWaalsContact C-N 3.28Å; V27-R29 PolarHBondContact O-N 2.87Å | ||
| 28 | Q | 27.9 | Very low | 36.1 | Very low | 179 Ų | 179 | 116.9 Ų | 116.9 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -56 | 103 | 165.6 | -165.8 | 150.1 | 0.4 | 0 | 0 | 105.6 | G26 E30 | G26-Q28 VanDerWaalsContact C-N 3.27Å; G26-Q28 PolarHBondContact O-N 2.96Å; Q28-E30 VanDerWaalsContact C-N 3.28Å; Q28-E30 PolarHBondContact O-N 3.36Å | ||
| 29 | R | 25.8 | Very low | 37.8 | Very low | 232 Ų | 232 | 119.8 Ų | 119.8 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | trans | -51.3 | 99.7 | 166.8 | -92.3 | 173.7 | 161.5 | 161.5 | -6.1 | 106 | V27 A31 | V27-R29 VanDerWaalsContact C-N 3.28Å; V27-R29 PolarHBondContact O-N 2.87Å; R29-A31 VanDerWaalsContact C-N 3.29Å; R29-A31 PolarHBondContact O-N 3.43Å | ||
| 30 | E | 30.5 | Very low | 39.9 | Very low | 185 Ų | 185 | 116.3 Ų | 116.3 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -56.4 | 105.8 | 155.6 | -78.1 | -174 | 154.4 | 0 | 0 | 105.1 | Q28 S32 | Q28-E30 VanDerWaalsContact C-N 3.28Å; Q28-E30 PolarHBondContact O-N 3.36Å; E30-S32 PolarHBondContact O-N 3.01Å | ||
| 31 | A | 31.3 | Very low | 42 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -54.2 | 113.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | R29 G33 | R29-A31 VanDerWaalsContact C-N 3.29Å; R29-A31 PolarHBondContact O-N 3.43Å; A31-G33 PolarHBondContact O-N 3.21Å; A31-G33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | S | 38.3 | Very low | 44.1 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | -57.5 | 112.6 | 162.6 | -49 | 0 | 0 | 0 | 0 | 107.5 | E30 | E30-S32 PolarHBondContact O-N 3.01Š| ||
| 33 | G | 32.3 | Very low | 46.6 | Very low | 67 Ų | 67 | 117.4 Ų | 117.4 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | -148.2 | 97.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | A31 | A31-G33 PolarHBondContact O-N 3.21Å; A31-G33 VanDerWaalsContact O-N 3.14Å | ||
| 34 | D | 41.4 | Very low | 48.6 | Very low | 155 Ų | 155 | 111.6 Ų | 111.6 | 83% | 0.829 | 65% | 0.646 | S | S | * | * | trans | 48.6 | 118.4 | 167.7 | -68.4 | -22.7 | 0 | 0 | 0 | 119.7 | P36 | D34-P36 VanDerWaalsContact O-CD 3.25Å; D34-P36 WeakPolarHBondContact O-CD 3.28Å; D34-P36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | T | 52.1 | Low | 50.5 | Low | 121 Ų | 121 | 107 Ų | 107 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 118.3 | 156.3 | -58.5 | 0 | 0 | 0 | 0 | 107.2 | T37 | T35-T37 PolarHBondContact O-N 2.91Å; T35-T37 VanDerWaalsContact O-N 3.14Å |
| 36 | P | 56.7 | Low | 52.7 | Low | 40 Ų | 40 | 104.8 Ų | 104.8 | 26% | 0.26 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 126.9 | -175.7 | 8.5 | -15.4 | 0 | 0 | 0 | 109.4 | D34 K41 L278 | D34-P36 VanDerWaalsContact O-CD 3.25Å; D34-P36 WeakPolarHBondContact O-CD 3.28Å; D34-P36 VanDerWaalsContact O-N 3.14Å; P36-K41 HydrophobicContact CB-CG 4.29Å; P36-K41 VanDerWaalsContact O-CE 3.32Å; P36-K41 WeakPolarHBondContact O-CE 3.47Å; P36-L278 HydrophobicContact CB-CD2 3.98Å; P36-L278 HydrophobicContact CG-CD2 4.33Å |
| 37 | T | 72.9 | Confident | 55.3 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 58% | 0.577 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 144.1 | -178.8 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | T35 F39 A40 K41 | T35-T37 PolarHBondContact O-N 2.91Å; T35-T37 VanDerWaalsContact O-N 3.14Å; T37-F39 PolarHBondContact O-N 3.34Å; T37-A40 WeakPolarHBondContact O-CB 3.41Å; T37-A40 PolarHBondContact O-N 3.14Å; T37-K41 PolarHBondContact O-N 2.82Å; T37-K41 VanDerWaalsContact O-N 3.08Å |
| 38 | V | 70 | Confident | 57.6 | Low | 121 Ų | 121 | 98.6 Ų | 98.6 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -52.2 | -31.6 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | K41 L42 | V38-K41 WeakPolarHBondContact O-CB 3.25Å; V38-K41 PolarHBondContact O-N 3.38Å; V38-L42 WeakPolarHBondContact O-CB 3.4Å; V38-L42 PolarHBondContact O-N 2.94Å |
| 39 | F | 70.3 | Confident | 59.7 | Low | 161 Ų | 161 | 91.1 Ų | 91.1 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 173 | -169.7 | -98.7 | 0 | 0 | 0 | 113.5 | T37 K41 L42 F43 | T37-F39 PolarHBondContact O-N 3.34Å; F39-K41 VanDerWaalsContact C-N 3.29Å; F39-K41 PolarHBondContact O-N 2.95Å; F39-L42 PolarHBondContact O-N 3Å; F39-F43 VanDerWaalsContact O-CB 3.28Å; F39-F43 WeakPolarHBondContact O-CB 3.48Å; F39-F43 PolarHBondContact O-N 2.83Å |
| 40 | A | 70.2 | Confident | 62.1 | Low | 28 Ų | 28 | 84.1 Ų | 84.1 | 23% | 0.231 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T37 A44 | T37-A40 WeakPolarHBondContact O-CB 3.41Å; T37-A40 PolarHBondContact O-N 3.14Å; A40-A44 WeakPolarHBondContact O-CB 3.48Å; A40-A44 PolarHBondContact O-N 3.13Å |
| 41 | K | 71.1 | Confident | 64.3 | Low | 71 Ų | 71 | 75.4 Ų | 75.4 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 172.8 | -74.6 | -173.9 | -177.8 | 170 | 0 | 112.2 | P36 T37 V38 F39 F43 A44 A45 L278 N279 | P36-K41 HydrophobicContact CB-CG 4.29Å; P36-K41 VanDerWaalsContact O-CE 3.32Å; P36-K41 WeakPolarHBondContact O-CE 3.47Å; T37-K41 PolarHBondContact O-N 2.82Å; T37-K41 VanDerWaalsContact O-N 3.08Å; V38-K41 WeakPolarHBondContact O-CB 3.25Å; V38-K41 PolarHBondContact O-N 3.38Å; F39-K41 VanDerWaalsContact C-N 3.29Å; F39-K41 PolarHBondContact O-N 2.95Å; K41-F43 VanDerWaalsContact C-N 3.33Å; K41-F43 PolarHBondContact O-N 3.32Å; K41-A44 PolarHBondContact O-N 2.95Å; K41-A45 WeakPolarHBondContact O-CB 3.26Å; K41-A45 PolarHBondContact O-N 3.29Å; K41-L278 WeakPolarHBondContact CE-O 3.07Å; K41-L278 WeakPolarHBondContact CG-O 3.36Å; K41-N279 VanDerWaalsContact CA-OD1 3.23Å; K41-N279 WeakPolarHBondContact CA-OD1 3.32Å; K41-N279 WeakPolarHBondContact CB-OD1 3.35Å; K41-N279 VanDerWaalsContact CG-OD1 3.24Å; K41-N279 WeakPolarHBondContact CG-OD1 3.4Å; K41-N279 PolarHBondContact O-ND2 3.19Å; K41-N279 PolarHBondContact O-OD1 3.42Å |
| 42 | L | 72.9 | Confident | 66 | Low | 118 Ų | 118 | 71 Ų | 71 | 62% | 0.618 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.4 | -39 | 178.3 | -169.1 | 70.1 | 0 | 0 | 0 | 111.6 | V38 F39 A45 A46 | V38-L42 WeakPolarHBondContact O-CB 3.4Å; V38-L42 PolarHBondContact O-N 2.94Å; F39-L42 PolarHBondContact O-N 3Å; L42-A45 WeakPolarHBondContact O-CB 3.24Å; L42-A45 PolarHBondContact O-N 2.98Å; L42-A46 WeakPolarHBondContact O-CB 3.5Å; L42-A46 PolarHBondContact O-N 3Å |
| 43 | F | 77.7 | Confident | 67.5 | Low | 122 Ų | 122 | 68.4 Ų | 68.4 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 176.2 | -179.2 | -96.6 | 0 | 0 | 0 | 111.7 | F39 K41 A45 A46 F47 | F39-F43 VanDerWaalsContact O-CB 3.28Å; F39-F43 WeakPolarHBondContact O-CB 3.48Å; F39-F43 PolarHBondContact O-N 2.83Å; K41-F43 VanDerWaalsContact C-N 3.33Å; K41-F43 PolarHBondContact O-N 3.32Å; F43-A45 VanDerWaalsContact C-N 3.27Å; F43-A45 PolarHBondContact O-N 3.01Å; F43-A46 PolarHBondContact O-N 2.68Å; F43-F47 WeakPolarHBondContact O-CB 3.28Å; F43-F47 PolarHBondContact O-N 3.43Å |
| 44 | A | 70.4 | Confident | 69.5 | Low | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A40 K41 Y48 L274 L278 | A40-A44 WeakPolarHBondContact O-CB 3.48Å; A40-A44 PolarHBondContact O-N 3.13Å; K41-A44 PolarHBondContact O-N 2.95Å; A44-Y48 WeakPolarHBondContact O-CB 3.33Å; A44-Y48 PolarHBondContact O-N 2.69Å; A44-L274 HydrophobicContact CB-CG 4.34Å; A44-L278 HydrophobicContact CB-CB 4.29Å; A44-L278 HydrophobicContact CB-CD1 4.03Å |
| 45 | A | 68.8 | Low | 70.9 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -51.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K41 L42 F43 F47 Y48 G49 T283 I287 | K41-A45 WeakPolarHBondContact O-CB 3.26Å; K41-A45 PolarHBondContact O-N 3.29Å; L42-A45 WeakPolarHBondContact O-CB 3.24Å; L42-A45 PolarHBondContact O-N 2.98Å; F43-A45 VanDerWaalsContact C-N 3.27Å; F43-A45 PolarHBondContact O-N 3.01Å; A45-F47 VanDerWaalsContact C-N 3.34Å; A45-F47 PolarHBondContact O-N 3.3Å; A45-Y48 PolarHBondContact O-N 3.11Å; A45-G49 PolarHBondContact O-N 2.76Å; A45-T283 HydrophobicContact CB-CG2 4.05Å; A45-I287 VanDerWaalsContact CA-CD1 3.46Å; A45-I287 HydrophobicContact CB-CD1 3.36Å |
| 46 | A | 73.9 | Confident | 71.6 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L42 F43 Y48 G49 V50 | L42-A46 WeakPolarHBondContact O-CB 3.5Å; L42-A46 PolarHBondContact O-N 3Å; F43-A46 PolarHBondContact O-N 2.68Å; A46-Y48 PolarHBondContact O-N 3.14Å; A46-G49 PolarHBondContact O-N 2.94Å; A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 VanDerWaalsContact O-CG2 3.28Å; A46-V50 WeakPolarHBondContact O-CG2 3.24Å; A46-V50 PolarHBondContact O-N 3.48Å |
| 47 | F | 78.4 | Confident | 72 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.1 | -172.8 | -114.9 | 0 | 0 | 0 | 112.2 | F43 A45 S51 V267 Y270 S271 | F43-F47 WeakPolarHBondContact O-CB 3.28Å; F43-F47 PolarHBondContact O-N 3.43Å; A45-F47 VanDerWaalsContact C-N 3.34Å; A45-F47 PolarHBondContact O-N 3.3Å; F47-S51 VanDerWaalsContact O-CB 3.22Å; F47-S51 WeakPolarHBondContact O-CB 3.47Å; F47-S51 PolarHBondContact O-N 2.91Å; F47-S51 PolarHBondContact O-OG 3.39Å; F47-V267 HydrophobicContact CE1-CG1 4.21Å; F47-V267 HydrophobicContact CE2-CG1 4.44Å; F47-V267 HydrophobicContact CZ-CG1 3.69Å; F47-Y270 HydrophobicContact CE1-CD1 4.23Å; F47-S271 WeakPolarHBondContact CD1-OG 3.42Å; F47-S271 WeakPolarHBondContact CE1-OG 3.28Å |
| 48 | Y | 76.2 | Confident | 71.9 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 172.1 | 169.6 | -117.9 | 0 | 0 | 0 | 112.6 | A44 A45 A46 S51 S52 L268 I272 T284 I287 | A44-Y48 WeakPolarHBondContact O-CB 3.33Å; A44-Y48 PolarHBondContact O-N 2.69Å; A45-Y48 PolarHBondContact O-N 3.11Å; A46-Y48 PolarHBondContact O-N 3.14Å; Y48-S51 WeakPolarHBondContact CA-OG 3.27Å; Y48-S51 PolarHBondContact O-OG 3.47Å; Y48-S51 VanDerWaalsContact O-OG 3.09Å; Y48-S52 WeakPolarHBondContact CD2-OG 3.26Å; Y48-S52 WeakPolarHBondContact CE2-OG 3.4Å; Y48-S52 WeakPolarHBondContact O-CB 3.41Å; Y48-S52 PolarHBondContact O-N 3.04Å; Y48-S52 PolarHBondContact O-OG 3.21Å; Y48-L268 HydrophobicContact CD2-CD1 4.22Å; Y48-L268 HydrophobicContact CE2-CD1 4.04Å; Y48-I272 HydrophobicContact CD2-CG1 3.65Å; Y48-I272 HydrophobicContact CE2-CD1 4.1Å; Y48-I272 HydrophobicContact CE2-CG1 3.34Å; Y48-T284 HydrophobicContact CD1-CG2 4.44Å; Y48-T284 HydrophobicContact CE1-CG2 4Å; Y48-I287 HydrophobicContact CD1-CB 3.7Å; Y48-I287 HydrophobicContact CD1-CD1 4.1Å; Y48-I287 HydrophobicContact CD1-CG2 3.35Å; Y48-I287 HydrophobicContact CE1-CB 3.72Å; Y48-I287 HydrophobicContact CE1-CG2 3.56Å; Y48-I287 HydrophobicContact CG-CG2 4.41Å |
| 49 | G | 71.6 | Confident | 71.9 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A45 A46 S52 F53 | A45-G49 PolarHBondContact O-N 2.76Å; A46-G49 PolarHBondContact O-N 2.94Å; G49-S52 PolarHBondContact O-N 3.29Å; G49-F53 WeakPolarHBondContact O-CB 3.42Å; G49-F53 PolarHBondContact O-N 2.95Å |
| 50 | V | 77.1 | Confident | 71.6 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 179.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A46 S52 F53 L54 | A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 VanDerWaalsContact O-CG2 3.28Å; A46-V50 WeakPolarHBondContact O-CG2 3.24Å; A46-V50 PolarHBondContact O-N 3.48Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 2.97Å; V50-F53 PolarHBondContact O-N 3.42Å; V50-L54 HydrophobicContact CG1-CD1 3.64Å; V50-L54 HydrophobicContact CG1-CG 4.21Å; V50-L54 WeakPolarHBondContact O-CB 3.34Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.39Å; V50-L54 PolarHBondContact O-N 3.39Å |
| 51 | S | 75.9 | Confident | 71.4 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | F47 Y48 F53 L54 I55 S271 | F47-S51 VanDerWaalsContact O-CB 3.22Å; F47-S51 WeakPolarHBondContact O-CB 3.47Å; F47-S51 PolarHBondContact O-N 2.91Å; F47-S51 PolarHBondContact O-OG 3.39Å; Y48-S51 WeakPolarHBondContact CA-OG 3.27Å; Y48-S51 PolarHBondContact O-OG 3.47Å; Y48-S51 VanDerWaalsContact O-OG 3.09Å; S51-F53 VanDerWaalsContact C-N 3.32Å; S51-F53 PolarHBondContact O-N 3.45Å; S51-L54 PolarHBondContact O-N 2.94Å; S51-I55 WeakPolarHBondContact O-CB 3.44Å; S51-I55 WeakPolarHBondContact O-CG2 3.32Å; S51-I55 PolarHBondContact O-N 2.99Å; S51-S271 PolarHBondContact OG-OG 3.44Å |
| 52 | S | 68.6 | Low | 71.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -31.4 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | Y48 G49 V50 I55 V56 L268 | Y48-S52 WeakPolarHBondContact CD2-OG 3.26Å; Y48-S52 WeakPolarHBondContact CE2-OG 3.4Å; Y48-S52 WeakPolarHBondContact O-CB 3.41Å; Y48-S52 PolarHBondContact O-N 3.04Å; Y48-S52 PolarHBondContact O-OG 3.21Å; G49-S52 PolarHBondContact O-N 3.29Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 2.97Å; S52-I55 VanDerWaalsContact O-CG2 3.3Å; S52-I55 WeakPolarHBondContact O-CG2 3.41Å; S52-V56 WeakPolarHBondContact O-CG2 3.41Å; S52-L268 WeakPolarHBondContact OG-CD1 3.35Å |
| 53 | F | 69.7 | Low | 70.8 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75.5 | -48.9 | 174.4 | 177.8 | -106.2 | 0 | 0 | 0 | 110.8 | G49 V50 S51 I55 V56 V57 I298 | G49-F53 WeakPolarHBondContact O-CB 3.42Å; G49-F53 PolarHBondContact O-N 2.95Å; V50-F53 PolarHBondContact O-N 3.42Å; S51-F53 VanDerWaalsContact C-N 3.32Å; S51-F53 PolarHBondContact O-N 3.45Å; F53-I55 VanDerWaalsContact C-N 3.34Å; F53-I55 PolarHBondContact O-N 3.38Å; F53-V56 WeakPolarHBondContact O-CB 3.3Å; F53-V56 PolarHBondContact O-N 3.04Å; F53-V56 VanDerWaalsContact O-N 3.08Å; F53-V57 HydrophobicContact CD1-CG2 4.26Å; F53-V57 HydrophobicContact CE1-CG2 3.73Å; F53-V57 HydrophobicContact CE2-CG2 4.09Å; F53-V57 HydrophobicContact CZ-CG2 3.64Å; F53-V57 PolarHBondContact O-N 2.82Å; F53-V57 VanDerWaalsContact O-N 3.14Å; F53-I298 HydrophobicContact CE2-CD1 3.42Å; F53-I298 VanDerWaalsContact CE2-CD1 3.42Å; F53-I298 HydrophobicContact CZ-CD1 3.92Å |
| 54 | L | 72.8 | Confident | 70.1 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 38% | 0.382 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -40.7 | -178.2 | -76.5 | 172.3 | 0 | 0 | 0 | 112.4 | V50 S51 V56 V57 V58 M264 | V50-L54 HydrophobicContact CG1-CD1 3.64Å; V50-L54 HydrophobicContact CG1-CG 4.21Å; V50-L54 WeakPolarHBondContact O-CB 3.34Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.39Å; V50-L54 PolarHBondContact O-N 3.39Å; S51-L54 PolarHBondContact O-N 2.94Å; L54-V56 VanDerWaalsContact C-N 3.25Å; L54-V56 PolarHBondContact O-N 2.74Å; L54-V57 PolarHBondContact O-N 3.3Å; L54-V58 WeakPolarHBondContact O-CB 3.05Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 2.94Å; L54-V58 PolarHBondContact O-N 3.42Å; L54-M264 HydrophobicContact CB-CE 3.29Å; L54-M264 HydrophobicContact CD1-CE 4.07Å; L54-M264 HydrophobicContact CG-CE 4.34Å |
| 55 | I | 72.6 | Confident | 69.9 | Low | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -35.3 | 176.8 | -165.9 | 175.7 | 0 | 0 | 0 | 111.9 | S51 S52 F53 N59 M264 L268 | S51-I55 WeakPolarHBondContact O-CB 3.44Å; S51-I55 WeakPolarHBondContact O-CG2 3.32Å; S51-I55 PolarHBondContact O-N 2.99Å; S52-I55 VanDerWaalsContact O-CG2 3.3Å; S52-I55 WeakPolarHBondContact O-CG2 3.41Å; F53-I55 VanDerWaalsContact C-N 3.34Å; F53-I55 PolarHBondContact O-N 3.38Å; I55-N59 WeakPolarHBondContact O-CB 3.37Å; I55-N59 PolarHBondContact O-N 3.08Å; I55-N59 PolarHBondContact O-ND2 2.95Å; I55-N59 PolarHBondContact O-OD1 3.35Å; I55-M264 HydrophobicContact CB-CB 4.37Å; I55-M264 HydrophobicContact CG1-CB 4.18Å; I55-L268 HydrophobicContact CD1-CB 4.24Å; I55-L268 HydrophobicContact CD1-CD2 3.88Å; I55-L268 HydrophobicContact CG2-CD2 4.22Å |
| 56 | V | 64.8 | Low | 69.4 | Low | 59 Ų | 59 | 48.7 Ų | 48.7 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 176 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | S52 F53 L54 K60 V295 | S52-V56 WeakPolarHBondContact O-CG2 3.41Å; F53-V56 WeakPolarHBondContact O-CB 3.3Å; F53-V56 PolarHBondContact O-N 3.04Å; F53-V56 VanDerWaalsContact O-N 3.08Å; L54-V56 VanDerWaalsContact C-N 3.25Å; L54-V56 PolarHBondContact O-N 2.74Å; V56-K60 VanDerWaalsContact O-CB 3.3Å; V56-K60 WeakPolarHBondContact O-CB 3.21Å; V56-K60 PolarHBondContact O-N 2.97Å; V56-V295 HydrophobicContact CG1-CG2 4.39Å; V56-V295 HydrophobicContact CG2-CG2 4.47Å |
| 57 | V | 66.1 | Low | 68.9 | Low | 67 Ų | 67 | 50.3 Ų | 50.3 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | F53 L54 K60 S61 | F53-V57 HydrophobicContact CD1-CG2 4.26Å; F53-V57 HydrophobicContact CE1-CG2 3.73Å; F53-V57 HydrophobicContact CE2-CG2 4.09Å; F53-V57 HydrophobicContact CZ-CG2 3.64Å; F53-V57 PolarHBondContact O-N 2.82Å; F53-V57 VanDerWaalsContact O-N 3.14Å; L54-V57 PolarHBondContact O-N 3.3Å; V57-K60 PolarHBondContact O-N 2.87Å; V57-S61 PolarHBondContact O-N 2.79Å |
| 58 | V | 70.4 | Confident | 68.2 | Low | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L54 K60 S61 V62 L260 | L54-V58 WeakPolarHBondContact O-CB 3.05Å; L54-V58 VanDerWaalsContact O-CG2 3.27Å; L54-V58 WeakPolarHBondContact O-CG2 2.94Å; L54-V58 PolarHBondContact O-N 3.42Å; V58-K60 VanDerWaalsContact C-N 3.31Å; V58-K60 PolarHBondContact O-N 3.01Å; V58-S61 WeakPolarHBondContact O-CB 3.24Å; V58-S61 PolarHBondContact O-N 3.49Å; V58-S61 VanDerWaalsContact O-N 3.16Å; V58-V62 WeakPolarHBondContact O-CG2 3.29Å; V58-V62 PolarHBondContact O-N 2.87Å; V58-L260 HydrophobicContact CG2-CD2 4.42Å |
| 59 | N | 70.3 | Confident | 67.5 | Low | 36 Ų | 36 | 49.5 Ų | 49.5 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.4 | -69.4 | -0.7 | 0 | 0 | 0 | 111.4 | I55 V62 L63 Q78 S261 | I55-N59 WeakPolarHBondContact O-CB 3.37Å; I55-N59 PolarHBondContact O-N 3.08Å; I55-N59 PolarHBondContact O-ND2 2.95Å; I55-N59 PolarHBondContact O-OD1 3.35Å; N59-V62 PolarHBondContact O-N 3.22Å; N59-L63 WeakPolarHBondContact O-CB 3.3Å; N59-L63 VanDerWaalsContact O-CG 3.24Å; N59-L63 WeakPolarHBondContact O-CG 3.48Å; N59-L63 PolarHBondContact O-N 3.43Å; N59-Q78 PolarHBondContact OD1-NE2 2.72Å; N59-S261 PolarHBondContact OD1-OG 2.98Å |
| 60 | K | 64.9 | Low | 67.1 | Low | 84 Ų | 84 | 48.4 Ų | 48.4 | 37% | 0.365 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 175.6 | -172.1 | 174.3 | -179.3 | 180 | 0 | 111.8 | V56 V57 V58 L63 T64 F302 | V56-K60 VanDerWaalsContact O-CB 3.3Å; V56-K60 WeakPolarHBondContact O-CB 3.21Å; V56-K60 PolarHBondContact O-N 2.97Å; V57-K60 PolarHBondContact O-N 2.87Å; V58-K60 VanDerWaalsContact C-N 3.31Å; V58-K60 PolarHBondContact O-N 3.01Å; K60-L63 PolarHBondContact O-N 2.81Å; K60-T64 WeakPolarHBondContact O-CA 3.12Å; K60-T64 VanDerWaalsContact O-CB 3.23Å; K60-T64 WeakPolarHBondContact O-CB 3.18Å; K60-T64 PolarHBondContact O-N 2.86Å; K60-T64 PolarHBondContact O-OG1 3.47Å; K60-F302 PolarHBondContact NZ-O 3.25Å |
| 61 | S | 66 | Low | 66.5 | Low | 35 Ų | 35 | 46.1 Ų | 46.1 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -61.2 | -48.5 | 175.3 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | V57 V58 L63 N65 Y66 Q257 | V57-S61 PolarHBondContact O-N 2.79Å; V58-S61 WeakPolarHBondContact O-CB 3.24Å; V58-S61 PolarHBondContact O-N 3.49Å; V58-S61 VanDerWaalsContact O-N 3.16Å; S61-L63 PolarHBondContact O-N 3.08Å; S61-N65 WeakPolarHBondContact O-CA 3.31Å; S61-N65 WeakPolarHBondContact O-CB 3.49Å; S61-N65 PolarHBondContact O-N 3.42Å; S61-Y66 WeakPolarHBondContact O-CD2 3.29Å; S61-Y66 PolarHBondContact O-N 2.89Å; S61-Q257 PolarHBondContact OG-OE1 3.49Å |
| 62 | V | 66.8 | Low | 66 | Low | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -61.6 | -45.5 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | V58 N59 F68 V74 F254 Q257 F258 | V58-V62 WeakPolarHBondContact O-CG2 3.29Å; V58-V62 PolarHBondContact O-N 2.87Å; N59-V62 PolarHBondContact O-N 3.22Å; V62-F68 HydrophobicContact CG1-CB 4.19Å; V62-F68 HydrophobicContact CG1-CD1 4.39Å; V62-F68 HydrophobicContact CG1-CG 4.5Å; V62-F68 VanDerWaalsContact O-CB 3.26Å; V62-F68 WeakPolarHBondContact O-CB 3.44Å; V62-F68 PolarHBondContact O-N 2.93Å; V62-V74 HydrophobicContact CG1-CG2 4.2Å; V62-F254 HydrophobicContact CG1-CE2 4.05Å; V62-Q257 HydrophobicContact CG2-CB 4.04Å; V62-F258 HydrophobicContact CG1-CD2 4.47Å |
| 63 | L | 64.6 | Low | 66 | Low | 58 Ų | 58 | 46.6 Ų | 46.6 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -77.4 | -40.9 | -175.4 | -66.5 | 170.4 | 0 | 0 | 0 | 113.3 | N59 K60 S61 S67 F68 | N59-L63 WeakPolarHBondContact O-CB 3.3Å; N59-L63 VanDerWaalsContact O-CG 3.24Å; N59-L63 WeakPolarHBondContact O-CG 3.48Å; N59-L63 PolarHBondContact O-N 3.43Å; K60-L63 PolarHBondContact O-N 2.81Å; S61-L63 PolarHBondContact O-N 3.08Å; L63-S67 WeakPolarHBondContact O-CA 3.47Å; L63-F68 HydrophobicContact CD2-CD1 4.38Å; L63-F68 PolarHBondContact O-N 3.34Å |
| 64 | T | 63 | Low | 66 | Low | 92 Ų | 92 | 43.3 Ų | 43.3 | 56% | 0.564 | 25% | 0.249 | S | C | * | . | I | π-helix | trans | -99.4 | -47.7 | -172.3 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | K60 S67 | K60-T64 WeakPolarHBondContact O-CA 3.12Å; K60-T64 VanDerWaalsContact O-CB 3.23Å; K60-T64 WeakPolarHBondContact O-CB 3.18Å; K60-T64 PolarHBondContact O-N 2.86Å; K60-T64 PolarHBondContact O-OG1 3.47Å; T64-S67 PolarHBondContact O-N 3.5Å |
| 65 | N | 64.4 | Low | 65.8 | Low | 120 Ų | 120 | 40.9 Ų | 40.9 | 64% | 0.642 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -75.9 | -35.5 | -174.6 | -165.9 | 66.8 | 0 | 0 | 0 | 112.5 | S61 | S61-N65 WeakPolarHBondContact O-CA 3.31Å; S61-N65 WeakPolarHBondContact O-CB 3.49Å; S61-N65 PolarHBondContact O-N 3.42Å |
| 66 | Y | 59.8 | Low | 65.7 | Low | 40 Ų | 40 | 41 Ų | 41 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -94 | -2.2 | 172.5 | -67.4 | -92.6 | 0 | 0 | 0 | 112.3 | S61 F68 Y246 F254 Q257 | S61-Y66 WeakPolarHBondContact O-CD2 3.29Å; S61-Y66 PolarHBondContact O-N 2.89Å; Y66-F68 PolarHBondContact O-N 3.27Å; Y66-Y246 PolarHBondContact O-OH 3.22Å; Y66-F254 HydrophobicContact CD1-CB 3.95Å; Y66-F254 AromaticContact CD1-CD2 3.88Å; Y66-F254 HydrophobicContact CD1-CD2 3.88Å; Y66-F254 HydrophobicContact CD1-CG 4.38Å; Y66-F254 HydrophobicContact CE1-CB 4.11Å; Y66-F254 AromaticContact CG-CD2 3.78Å; Y66-F254 HydrophobicContact CG-CD2 3.78Å; Y66-Q257 VanDerWaalsContact CE2-CD 3.41Å; Y66-Q257 PolarHBondContact OH-NE2 3.18Å |
| 67 | S | 63.5 | Low | 66 | Low | 88 Ų | 88 | 38.9 Ų | 38.9 | 62% | 0.615 | 23% | 0.232 | S | C | * | . | trans | 52.3 | 38.9 | -178.3 | -53.5 | 0 | 0 | 0 | 0 | 112.9 | L63 T64 P69 | L63-S67 WeakPolarHBondContact O-CA 3.47Å; T64-S67 PolarHBondContact O-N 3.5Å; S67-P69 WeakPolarHBondContact O-CD 2.99Å | ||
| 68 | F | 63.6 | Low | 66.4 | Low | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | trans | -67.5 | 121.9 | 177.5 | -173.4 | -118.7 | 0 | 0 | 0 | 109.6 | V62 L63 Y66 S70 C73 V74 Y246 F254 F258 | V62-F68 HydrophobicContact CG1-CB 4.19Å; V62-F68 HydrophobicContact CG1-CD1 4.39Å; V62-F68 HydrophobicContact CG1-CG 4.5Å; V62-F68 VanDerWaalsContact O-CB 3.26Å; V62-F68 WeakPolarHBondContact O-CB 3.44Å; V62-F68 PolarHBondContact O-N 2.93Å; L63-F68 HydrophobicContact CD2-CD1 4.38Å; L63-F68 PolarHBondContact O-N 3.34Å; Y66-F68 PolarHBondContact O-N 3.27Å; F68-S70 VanDerWaalsContact C-N 3.29Å; F68-S70 WeakPolarHBondContact CD1-O 3.23Å; F68-S70 WeakPolarHBondContact CE1-O 3.2Å; F68-S70 PolarHBondContact O-N 3.01Å; F68-C73 HydrophobicContact CE1-CB 3.93Å; F68-C73 HydrophobicContact CZ-CB 4.04Å; F68-V74 HydrophobicContact CD1-CG2 4.07Å; F68-V74 HydrophobicContact CE1-CG2 4.02Å; F68-Y246 AromaticContact CD2-CD1 3.62Å; F68-Y246 HydrophobicContact CD2-CD1 3.62Å; F68-Y246 HydrophobicContact CD2-CD2 4.11Å; F68-Y246 AromaticContact CD2-CE1 3.98Å; F68-Y246 HydrophobicContact CD2-CE1 3.98Å; F68-Y246 HydrophobicContact CD2-CE2 4.44Å; F68-Y246 AromaticContact CD2-CG 3.7Å; F68-Y246 HydrophobicContact CD2-CG 3.7Å; F68-Y246 AromaticContact CE2-CD1 3.92Å; F68-Y246 HydrophobicContact CE2-CD1 3.92Å; F68-Y246 AromaticContact CE2-CG 3.92Å; F68-Y246 HydrophobicContact CE2-CG 3.92Å; F68-F254 HydrophobicContact CB-CE2 4Å; F68-F254 HydrophobicContact CB-CZ 4.25Å; F68-F254 HydrophobicContact CD2-CE1 4.33Å; F68-F254 AromaticContact CD2-CE2 3.99Å; F68-F254 HydrophobicContact CD2-CE2 3.99Å; F68-F254 AromaticContact CD2-CZ 3.38Å; F68-F254 HydrophobicContact CD2-CZ 3.38Å; F68-F254 HydrophobicContact CE2-CE1 4.45Å; F68-F254 AromaticContact CE2-CZ 3.8Å; F68-F254 HydrophobicContact CE2-CZ 3.8Å; F68-F254 HydrophobicContact CG-CE2 4.13Å; F68-F254 AromaticContact CG-CZ 3.87Å; F68-F254 HydrophobicContact CG-CZ 3.87Å; F68-F258 HydrophobicContact CE1-CE2 4.07Å; F68-F258 HydrophobicContact CZ-CE2 4.27Å | ||
| 69 | P | 61 | Low | 66.5 | Low | 61 Ų | 61 | 37.6 Ų | 37.6 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -70.5 | -23.6 | -169.5 | 25.5 | -33.7 | 0 | 0 | 0 | 113.3 | S67 M242 Y246 | S67-P69 WeakPolarHBondContact O-CD 2.99Å; P69-M242 HydrophobicContact CB-CB 4.27Å; P69-M242 HydrophobicContact CB-SD 4.46Å; P69-M242 HydrophobicContact CG-CB 4.08Å; P69-M242 WeakPolarHBondContact CG-O 3.49Å; P69-Y246 VanDerWaalsContact CD-CD2 3.45Å; P69-Y246 HydrophobicContact CG-CD2 4.19Å |
| 70 | S | 64.1 | Low | 66.6 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -113.9 | 102.3 | -170.1 | -176.2 | 0 | 0 | 0 | 0 | 114.7 | F68 T72 C73 D239 | F68-S70 VanDerWaalsContact C-N 3.29Å; F68-S70 WeakPolarHBondContact CD1-O 3.23Å; F68-S70 WeakPolarHBondContact CE1-O 3.2Å; F68-S70 PolarHBondContact O-N 3.01Å; S70-T72 PolarHBondContact O-N 2.87Å; S70-T72 PolarHBondContact OG-N 3.48Å; S70-C73 PolarHBondContact OG-N 3.42Å; S70-C73 VanDerWaalsContact OG-N 3.09Å; S70-C73 PolarHBondContact OG-SG 2.82Å; S70-D239 VanDerWaalsContact CA-OD1 3.23Å; S70-D239 WeakPolarHBondContact CA-OD1 3.45Å; S70-D239 VanDerWaalsContact CB-CG 3.48Å; S70-D239 VanDerWaalsContact CB-O 3.27Å; S70-D239 WeakPolarHBondContact CB-O 3.35Å; S70-D239 WeakPolarHBondContact CB-OD1 3.35Å; S70-D239 WeakPolarHBondContact CB-OD2 3.38Å; S70-D239 PolarHBondContact OG-O 3.3Å; S70-D239 PolarHBondContact OG-OD1 2.89Å; S70-D239 PolarHBondContact OG-OD2 2.95Å | ||
| 71 | S | 63.5 | Low | 67 | Low | 35 Ų | 35 | 37 Ų | 37 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -26.4 | 168 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | V74 G75 L123 | S71-V74 PolarHBondContact O-N 3.29Å; S71-G75 PolarHBondContact O-N 3.3Å; S71-L123 WeakPolarHBondContact OG-CD1 3.23Å |
| 72 | T | 66.1 | Low | 67.1 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -38.6 | -178.3 | -42.9 | 0 | 0 | 0 | 0 | 111.3 | S70 V74 G75 I76 T230 Y233 A234 D239 | S70-T72 PolarHBondContact O-N 2.87Å; S70-T72 PolarHBondContact OG-N 3.48Å; T72-V74 PolarHBondContact O-N 3.04Å; T72-G75 PolarHBondContact O-N 3.25Å; T72-I76 HydrophobicContact CG2-CD1 4.25Å; T72-I76 VanDerWaalsContact O-CG1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.01Å; T72-I76 PolarHBondContact O-N 2.88Å; T72-T230 HydrophobicContact CG2-CG2 3.61Å; T72-Y233 HydrophobicContact CG2-CD1 4.12Å; T72-A234 HydrophobicContact CG2-CB 3.71Å; T72-D239 VanDerWaalsContact CB-OD2 3.23Å; T72-D239 WeakPolarHBondContact CB-OD2 3.37Å; T72-D239 PolarHBondContact OG1-OD2 3.14Å |
| 73 | C | 67.9 | Low | 67.3 | Low | 15 Ų | 15 | 37 Ų | 37 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.8 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | F68 S70 G75 I76 G77 | F68-C73 HydrophobicContact CE1-CB 3.93Å; F68-C73 HydrophobicContact CZ-CB 4.04Å; S70-C73 PolarHBondContact OG-N 3.42Å; S70-C73 VanDerWaalsContact OG-N 3.09Å; S70-C73 PolarHBondContact OG-SG 2.82Å; C73-G75 VanDerWaalsContact C-N 3.35Å; C73-I76 PolarHBondContact O-N 3.33Å; C73-G77 PolarHBondContact O-N 3.38Å |
| 74 | V | 69.9 | Low | 67.8 | Low | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | V62 F68 S71 T72 I76 G77 Q78 F258 S261 | V62-V74 HydrophobicContact CG1-CG2 4.2Å; F68-V74 HydrophobicContact CD1-CG2 4.07Å; F68-V74 HydrophobicContact CE1-CG2 4.02Å; S71-V74 PolarHBondContact O-N 3.29Å; T72-V74 PolarHBondContact O-N 3.04Å; V74-I76 PolarHBondContact O-N 2.85Å; V74-G77 PolarHBondContact O-N 3.31Å; V74-Q78 WeakPolarHBondContact O-CG 3.32Å; V74-Q78 PolarHBondContact O-N 2.93Å; V74-F258 HydrophobicContact CB-CE2 4.44Å; V74-F258 HydrophobicContact CG2-CD2 4.09Å; V74-F258 HydrophobicContact CG2-CE2 3.7Å; V74-S261 WeakPolarHBondContact CG1-OG 3.5Å |
| 75 | G | 68.3 | Low | 68.1 | Low | 22 Ų | 22 | 36.6 Ų | 36.6 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | S71 T72 C73 G77 Q78 M79 | S71-G75 PolarHBondContact O-N 3.3Å; T72-G75 PolarHBondContact O-N 3.25Å; C73-G75 VanDerWaalsContact C-N 3.35Å; G75-G77 VanDerWaalsContact C-N 3.35Å; G75-G77 PolarHBondContact O-N 3.08Å; G75-Q78 PolarHBondContact O-N 3.4Å; G75-M79 WeakPolarHBondContact O-CG 3.46Å; G75-M79 PolarHBondContact O-N 3.03Å |
| 76 | I | 71.6 | Confident | 68.2 | Low | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.9 | -67.5 | 164.7 | 0 | 0 | 0 | 110.6 | T72 C73 V74 Q78 M79 L80 I227 T230 L231 A234 | T72-I76 HydrophobicContact CG2-CD1 4.25Å; T72-I76 VanDerWaalsContact O-CG1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.01Å; T72-I76 PolarHBondContact O-N 2.88Å; C73-I76 PolarHBondContact O-N 3.33Å; V74-I76 PolarHBondContact O-N 2.85Å; I76-Q78 PolarHBondContact O-N 3.14Å; I76-M79 HydrophobicContact CG1-CE 4.29Å; I76-M79 PolarHBondContact O-N 3.37Å; I76-L80 HydrophobicContact CG2-CD1 3.91Å; I76-L80 HydrophobicContact CG2-CG 4.35Å; I76-L80 WeakPolarHBondContact O-CB 3.39Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.31Å; I76-I227 HydrophobicContact CG2-CG1 4.47Å; I76-T230 HydrophobicContact CD1-CG2 4.14Å; I76-T230 HydrophobicContact CG1-CG2 3.64Å; I76-L231 HydrophobicContact CD1-CB 4.5Å; I76-L231 HydrophobicContact CD1-CD1 4.01Å; I76-A234 HydrophobicContact CD1-CB 3.77Å |
| 77 | G | 71.3 | Confident | 68.7 | Low | 14 Ų | 14 | 37 Ų | 37 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C73 V74 G75 L80 A81 | C73-G77 PolarHBondContact O-N 3.38Å; V74-G77 PolarHBondContact O-N 3.31Å; G75-G77 VanDerWaalsContact C-N 3.35Å; G75-G77 PolarHBondContact O-N 3.08Å; G77-L80 PolarHBondContact O-N 3.17Å; G77-A81 WeakPolarHBondContact O-CB 3.42Å; G77-A81 PolarHBondContact O-N 3.25Å |
| 78 | Q | 73.9 | Confident | 68.9 | Low | 33 Ų | 33 | 35.7 Ų | 35.7 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.6 | -73 | 174.3 | -11 | 0 | 0 | 112.5 | N59 V74 G75 I76 T82 S261 | N59-Q78 PolarHBondContact OD1-NE2 2.72Å; V74-Q78 WeakPolarHBondContact O-CG 3.32Å; V74-Q78 PolarHBondContact O-N 2.93Å; G75-Q78 PolarHBondContact O-N 3.4Å; I76-Q78 PolarHBondContact O-N 3.14Å; Q78-T82 WeakPolarHBondContact O-CB 3.49Å; Q78-T82 PolarHBondContact O-N 2.83Å; Q78-T82 PolarHBondContact O-OG1 2.96Å; Q78-S261 WeakPolarHBondContact CG-O 3.2Å; Q78-S261 PolarHBondContact NE2-O 2.62Å; Q78-S261 PolarHBondContact NE2-OG 3.19Å |
| 79 | M | 71.1 | Confident | 69 | Low | 30 Ų | 30 | 36.4 Ų | 36.4 | 15% | 0.148 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 175.9 | -71.1 | -173.7 | -72.4 | 0 | 0 | 111.8 | G75 I76 T82 I83 M226 T230 | G75-M79 WeakPolarHBondContact O-CG 3.46Å; G75-M79 PolarHBondContact O-N 3.03Å; I76-M79 HydrophobicContact CG1-CE 4.29Å; I76-M79 PolarHBondContact O-N 3.37Å; M79-T82 WeakPolarHBondContact O-CB 3.4Å; M79-T82 PolarHBondContact O-N 3.06Å; M79-I83 VanDerWaalsContact O-CG1 3.31Å; M79-I83 WeakPolarHBondContact O-CG1 3.41Å; M79-I83 PolarHBondContact O-N 2.8Å; M79-M226 HydrophobicContact SD-CB 3.64Å; M79-M226 HydrophobicContact SD-SD 4.29Å; M79-T230 HydrophobicContact CE-CG2 3.73Å |
| 80 | L | 73.6 | Confident | 69.2 | Low | 83 Ų | 83 | 36.2 Ų | 36.2 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 174.2 | -79.6 | 170.3 | 0 | 0 | 0 | 111.8 | I76 G77 T82 I83 V84 I227 | I76-L80 HydrophobicContact CG2-CD1 3.91Å; I76-L80 HydrophobicContact CG2-CG 4.35Å; I76-L80 WeakPolarHBondContact O-CB 3.39Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.31Å; G77-L80 PolarHBondContact O-N 3.17Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 PolarHBondContact O-N 3.37Å; L80-I83 PolarHBondContact O-N 3.47Å; L80-V84 WeakPolarHBondContact O-CG2 2.94Å; L80-V84 PolarHBondContact O-N 3.4Å; L80-I227 HydrophobicContact CD1-CD1 4.43Å; L80-I227 HydrophobicContact CD2-CD1 3.23Å; L80-I227 HydrophobicContact CG-CD1 3.47Å; L80-I227 VanDerWaalsContact CG-CD1 3.47Å |
| 81 | A | 72.3 | Confident | 69.1 | Low | 24 Ų | 24 | 42.9 Ų | 42.9 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | G77 V84 V85 | G77-A81 WeakPolarHBondContact O-CB 3.42Å; G77-A81 PolarHBondContact O-N 3.25Å; A81-V84 PolarHBondContact O-N 3.04Å; A81-V85 VanDerWaalsContact O-CG2 3.26Å; A81-V85 WeakPolarHBondContact O-CG2 3.05Å; A81-V85 PolarHBondContact O-N 3.48Å |
| 82 | T | 69.3 | Low | 69.3 | Low | 12 Ų | 12 | 47.2 Ų | 47.2 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | Q78 M79 L80 V85 L86 | Q78-T82 WeakPolarHBondContact O-CB 3.49Å; Q78-T82 PolarHBondContact O-N 2.83Å; Q78-T82 PolarHBondContact O-OG1 2.96Å; M79-T82 WeakPolarHBondContact O-CB 3.4Å; M79-T82 PolarHBondContact O-N 3.06Å; L80-T82 VanDerWaalsContact C-N 3.25Å; L80-T82 PolarHBondContact O-N 3.37Å; T82-V85 PolarHBondContact O-N 2.86Å; T82-L86 HydrophobicContact CG2-CD1 3.57Å; T82-L86 WeakPolarHBondContact O-CB 3.28Å; T82-L86 WeakPolarHBondContact O-CD1 3.43Å; T82-L86 PolarHBondContact O-N 3.42Å |
| 83 | I | 70.8 | Confident | 68.8 | Low | 24 Ų | 24 | 50.2 Ų | 50.2 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 177.7 | -67.8 | 164.3 | 0 | 0 | 0 | 111.3 | M79 L80 V85 L86 R87 Y220 A223 L224 I227 | M79-I83 VanDerWaalsContact O-CG1 3.31Å; M79-I83 WeakPolarHBondContact O-CG1 3.41Å; M79-I83 PolarHBondContact O-N 2.8Å; L80-I83 PolarHBondContact O-N 3.47Å; I83-V85 PolarHBondContact O-N 2.92Å; I83-L86 PolarHBondContact O-N 3.27Å; I83-R87 VanDerWaalsContact O-CB 3.26Å; I83-R87 WeakPolarHBondContact O-CB 3.09Å; I83-R87 PolarHBondContact O-N 3.34Å; I83-Y220 HydrophobicContact CG2-CE2 4.02Å; I83-A223 HydrophobicContact CD1-CB 4.49Å; I83-A223 HydrophobicContact CG1-CB 4.04Å; I83-L224 HydrophobicContact CD1-CB 4.49Å; I83-I227 HydrophobicContact CD1-CD1 4.07Å |
| 84 | V | 74.1 | Confident | 68.2 | Low | 88 Ų | 88 | 55 Ų | 55 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | -180 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | L80 A81 R87 T88 | L80-V84 WeakPolarHBondContact O-CG2 2.94Å; L80-V84 PolarHBondContact O-N 3.4Å; A81-V84 PolarHBondContact O-N 3.04Å; V84-R87 PolarHBondContact O-N 3.42Å; V84-T88 WeakPolarHBondContact O-CB 3.42Å; V84-T88 PolarHBondContact O-N 2.86Å; V84-T88 PolarHBondContact O-OG1 3.12Å |
| 85 | V | 70.7 | Confident | 67.5 | Low | 54 Ų | 54 | 56 Ų | 56 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | -178.4 | -179.4 | 0 | 0 | 0 | 0 | 112 | A81 T82 I83 R87 T88 A89 F266 | A81-V85 VanDerWaalsContact O-CG2 3.26Å; A81-V85 WeakPolarHBondContact O-CG2 3.05Å; A81-V85 PolarHBondContact O-N 3.48Å; T82-V85 PolarHBondContact O-N 2.86Å; I83-V85 PolarHBondContact O-N 2.92Å; V85-R87 VanDerWaalsContact C-N 3.31Å; V85-R87 PolarHBondContact O-N 2.82Å; V85-T88 PolarHBondContact O-N 3.34Å; V85-A89 WeakPolarHBondContact O-CB 3.09Å; V85-A89 PolarHBondContact O-N 2.91Å; V85-F266 HydrophobicContact CB-CD2 3.73Å; V85-F266 HydrophobicContact CB-CE2 3.63Å; V85-F266 HydrophobicContact CB-CG 4.31Å; V85-F266 HydrophobicContact CB-CZ 4.12Å; V85-F266 HydrophobicContact CG1-CD1 4.43Å; V85-F266 HydrophobicContact CG1-CD2 3.82Å; V85-F266 HydrophobicContact CG1-CE1 3.89Å; V85-F266 HydrophobicContact CG1-CE2 3.19Å; V85-F266 HydrophobicContact CG1-CG 4.4Å; V85-F266 HydrophobicContact CG1-CZ 3.25Å; V85-F266 HydrophobicContact CG2-CD1 4.42Å; V85-F266 HydrophobicContact CG2-CD2 4.1Å; V85-F266 HydrophobicContact CG2-CE2 4.31Å; V85-F266 HydrophobicContact CG2-CG 4.17Å |
| 86 | L | 66.9 | Low | 66.6 | Low | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 174.9 | -88 | 147.8 | 0 | 0 | 0 | 112 | T82 I83 A89 K90 Y220 | T82-L86 HydrophobicContact CG2-CD1 3.57Å; T82-L86 WeakPolarHBondContact O-CB 3.28Å; T82-L86 WeakPolarHBondContact O-CD1 3.43Å; T82-L86 PolarHBondContact O-N 3.42Å; I83-L86 PolarHBondContact O-N 3.27Å; L86-A89 PolarHBondContact O-N 2.82Å; L86-K90 PolarHBondContact O-N 2.9Å; L86-Y220 HydrophobicContact CB-CD2 3.88Å; L86-Y220 HydrophobicContact CB-CE2 4.43Å; L86-Y220 HydrophobicContact CD1-CD2 4.48Å |
| 87 | R | 68.8 | Low | 66 | Low | 155 Ų | 155 | 61.3 Ų | 61.3 | 59% | 0.585 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | 176.8 | -165.6 | 174.6 | -173.1 | -165.5 | 1.7 | 111.3 | I83 V84 V85 K90 M91 | I83-R87 VanDerWaalsContact O-CB 3.26Å; I83-R87 WeakPolarHBondContact O-CB 3.09Å; I83-R87 PolarHBondContact O-N 3.34Å; V84-R87 PolarHBondContact O-N 3.42Å; V85-R87 VanDerWaalsContact C-N 3.31Å; V85-R87 PolarHBondContact O-N 2.82Å; R87-K90 PolarHBondContact O-N 3.05Å; R87-M91 WeakPolarHBondContact O-CG 3.32Å; R87-M91 PolarHBondContact O-N 3.17Å |
| 88 | T | 68.6 | Low | 65.2 | Low | 61 Ų | 61 | 63.6 Ų | 63.6 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | V84 V85 K90 M91 L92 | V84-T88 WeakPolarHBondContact O-CB 3.42Å; V84-T88 PolarHBondContact O-N 2.86Å; V84-T88 PolarHBondContact O-OG1 3.12Å; V85-T88 PolarHBondContact O-N 3.34Å; T88-K90 VanDerWaalsContact C-N 3.33Å; T88-K90 PolarHBondContact O-N 3.49Å; T88-M91 PolarHBondContact O-N 3.43Å; T88-L92 HydrophobicContact CG2-CD1 3.98Å; T88-L92 HydrophobicContact CG2-CG 4.46Å; T88-L92 WeakPolarHBondContact O-CB 3.31Å; T88-L92 VanDerWaalsContact O-CG 3.28Å; T88-L92 WeakPolarHBondContact O-CG 3.27Å; T88-L92 PolarHBondContact O-N 2.83Å |
| 89 | A | 64.9 | Low | 64.1 | Low | 20 Ų | 20 | 67.8 Ų | 67.8 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V85 L86 G93 V94 I95 | V85-A89 WeakPolarHBondContact O-CB 3.09Å; V85-A89 PolarHBondContact O-N 2.91Å; L86-A89 PolarHBondContact O-N 2.82Å; A89-G93 PolarHBondContact O-N 3.47Å; A89-V94 PolarHBondContact O-N 3.41Å; A89-V94 VanDerWaalsContact O-N 3.13Å; A89-I95 HydrophobicContact CB-CD1 4Å; A89-I95 HydrophobicContact CB-CG1 4.37Å |
| 90 | K | 66.3 | Low | 63.2 | Low | 57 Ų | 57 | 71.8 Ų | 71.8 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.7 | -42.4 | 170 | 173.7 | 172.6 | 178.1 | 168.6 | 0 | 112.2 | L86 R87 T88 L92 G93 I95 F97 D99 | L86-K90 PolarHBondContact O-N 2.9Å; R87-K90 PolarHBondContact O-N 3.05Å; T88-K90 VanDerWaalsContact C-N 3.33Å; T88-K90 PolarHBondContact O-N 3.49Å; K90-L92 PolarHBondContact O-N 3.2Å; K90-G93 PolarHBondContact O-N 3Å; K90-I95 WeakPolarHBondContact CA-O 3.14Å; K90-F97 HydrophobicContact CB-CD1 3.84Å; K90-F97 HydrophobicContact CB-CE1 3.26Å; K90-F97 HydrophobicContact CB-CZ 3.86Å; K90-F97 HydrophobicContact CD-CD1 3.57Å; K90-F97 HydrophobicContact CD-CD2 3.68Å; K90-F97 HydrophobicContact CD-CE1 3.23Å; K90-F97 HydrophobicContact CD-CE2 3.31Å; K90-F97 HydrophobicContact CD-CG 3.81Å; K90-F97 HydrophobicContact CD-CZ 3.08Å; K90-F97 HydrophobicContact CG-CD1 4.18Å; K90-F97 HydrophobicContact CG-CE1 3.82Å; K90-F97 HydrophobicContact CG-CZ 4.07Å; K90-F97 VanDerWaalsContact NZ-CE2 3.34Å; K90-F97 PolarHBondContact NZ-O 3.33Å; K90-D99 IonicContact NZ-OD1 2.68Å; K90-D99 PolarHBondContact NZ-OD1 2.66Å |
| 91 | M | 61.9 | Low | 62.2 | Low | 140 Ų | 140 | 72.6 Ų | 72.6 | 69% | 0.69 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62 | -33 | 175.8 | -70.2 | -171.9 | -65.3 | 0 | 0 | 112 | R87 T88 G93 | R87-M91 WeakPolarHBondContact O-CG 3.32Å; R87-M91 PolarHBondContact O-N 3.17Å; T88-M91 PolarHBondContact O-N 3.43Å; M91-G93 VanDerWaalsContact C-N 3.25Å; M91-G93 PolarHBondContact O-N 3.27Å |
| 92 | L | 67.6 | Low | 61.4 | Low | 127 Ų | 127 | 77.5 Ų | 77.5 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 0.2 | 174.9 | -67.2 | 170.4 | 0 | 0 | 0 | 113.8 | T88 K90 V94 | T88-L92 HydrophobicContact CG2-CD1 3.98Å; T88-L92 HydrophobicContact CG2-CG 4.46Å; T88-L92 WeakPolarHBondContact O-CB 3.31Å; T88-L92 VanDerWaalsContact O-CG 3.28Å; T88-L92 WeakPolarHBondContact O-CG 3.27Å; T88-L92 PolarHBondContact O-N 2.83Å; K90-L92 PolarHBondContact O-N 3.2Å; L92-V94 HydrophobicContact CB-CG2 4.2Å; L92-V94 PolarHBondContact O-N 2.81Å |
| 93 | G | 54.9 | Low | 60.9 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 65% | 0.649 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 9.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A89 K90 M91 | A89-G93 PolarHBondContact O-N 3.47Å; K90-G93 PolarHBondContact O-N 3Å; M91-G93 VanDerWaalsContact C-N 3.25Å; M91-G93 PolarHBondContact O-N 3.27Å |
| 94 | V | 55.7 | Low | 60.4 | Low | 116 Ų | 116 | 81.2 Ų | 81.2 | 70% | 0.703 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -76.7 | -27.3 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | A89 L92 | A89-V94 PolarHBondContact O-N 3.41Å; A89-V94 VanDerWaalsContact O-N 3.13Å; L92-V94 HydrophobicContact CB-CG2 4.2Å; L92-V94 PolarHBondContact O-N 2.81Å |
| 95 | I | 54.9 | Low | 59.7 | Low | 25 Ų | 25 | 81.7 Ų | 81.7 | 13% | 0.128 | 46% | 0.458 | C | S | . | . | trans | -138.5 | 122.7 | -176.3 | -52.2 | 177.3 | 0 | 0 | 0 | 110.4 | A89 K90 Y216 | A89-I95 HydrophobicContact CB-CD1 4Å; A89-I95 HydrophobicContact CB-CG1 4.37Å; K90-I95 WeakPolarHBondContact CA-O 3.14Å; I95-Y216 HydrophobicContact CD1-CD1 4.47Å; I95-Y216 HydrophobicContact CD1-CE1 4.41Å; I95-Y216 HydrophobicContact CG2-CD1 3.55Å; I95-Y216 HydrophobicContact CG2-CD2 4.24Å; I95-Y216 HydrophobicContact CG2-CE1 4.01Å; I95-Y216 HydrophobicContact CG2-CG 3.67Å | ||
| 96 | T | 49.7 | Very low | 59.1 | Low | 133 Ų | 133 | 81.7 Ų | 81.7 | 82% | 0.816 | 47% | 0.469 | S | S | * | . | trans | -92.7 | 117 | 173 | -25.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 97 | F | 58.2 | Low | 59 | Low | 15 Ų | 15 | 85.1 Ų | 85.1 | 7% | 0.066 | 48% | 0.484 | C | S | . | . | trans | -121 | 144.2 | 168.5 | 60.4 | -105.8 | 0 | 0 | 0 | 111.3 | K90 Y220 | K90-F97 HydrophobicContact CB-CD1 3.84Å; K90-F97 HydrophobicContact CB-CE1 3.26Å; K90-F97 HydrophobicContact CB-CZ 3.86Å; K90-F97 HydrophobicContact CD-CD1 3.57Å; K90-F97 HydrophobicContact CD-CD2 3.68Å; K90-F97 HydrophobicContact CD-CE1 3.23Å; K90-F97 HydrophobicContact CD-CE2 3.31Å; K90-F97 HydrophobicContact CD-CG 3.81Å; K90-F97 HydrophobicContact CD-CZ 3.08Å; K90-F97 HydrophobicContact CG-CD1 4.18Å; K90-F97 HydrophobicContact CG-CE1 3.82Å; K90-F97 HydrophobicContact CG-CZ 4.07Å; K90-F97 VanDerWaalsContact NZ-CE2 3.34Å; K90-F97 PolarHBondContact NZ-O 3.33Å; F97-Y220 HydrophobicContact CD2-CD1 4.43Å; F97-Y220 HydrophobicContact CE1-CD2 4.46Å; F97-Y220 HydrophobicContact CE2-CD1 4.07Å; F97-Y220 AromaticContact CE2-CE1 3.99Å; F97-Y220 HydrophobicContact CE2-CE1 3.99Å; F97-Y220 HydrophobicContact CE2-CG 4.45Å; F97-Y220 HydrophobicContact CZ-CD1 4.35Å; F97-Y220 HydrophobicContact CZ-CD2 4.25Å; F97-Y220 HydrophobicContact CZ-CE1 4.23Å; F97-Y220 HydrophobicContact CZ-CE2 4.11Å; F97-Y220 HydrophobicContact CZ-CG 4.36Å | ||
| 98 | P | 54.2 | Low | 58.8 | Low | 63 Ų | 63 | 78 Ų | 78 | 41% | 0.409 | 46% | 0.457 | S | S | . | . | trans | -55.5 | 141.1 | 179.4 | -20.4 | 30.2 | 0 | 0 | 0 | 111.5 | Y221 | P98-Y221 PolarHBondContact O-OH 3.25Š| ||
| 99 | D | 52.7 | Low | 58.3 | Low | 120 Ų | 120 | 82.2 Ų | 82.2 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | trans | -67.8 | 158.1 | 178.8 | -69.5 | -54.1 | 0 | 0 | 0 | 113.2 | K90 D101 Y221 | K90-D99 IonicContact NZ-OD1 2.68Å; K90-D99 PolarHBondContact NZ-OD1 2.66Å; D99-D101 PolarHBondContact O-N 3.31Å; D99-D101 VanDerWaalsContact O-N 3.11Å; D99-Y221 PolarHBondContact O-OH 3.26Å | ||
| 100 | L | 51 | Low | 58.6 | Low | 114 Ų | 114 | 83 Ų | 83 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | trans | -64.2 | 103.8 | -171.4 | -112.4 | 154.5 | 0 | 0 | 0 | 111.1 | Y221 | L100-Y221 WeakPolarHBondContact CA-OH 3.29Å; L100-Y221 HydrophobicContact CD2-CE1 4.01Å; L100-Y221 HydrophobicContact CG-CE1 3.97Å; L100-Y221 PolarHBondContact N-OH 2.85Å | ||
| 101 | D | 53.8 | Low | 58.7 | Low | 100 Ų | 100 | 80.6 Ų | 80.6 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | trans | -103.1 | 132.6 | 171.2 | -100.4 | -38.8 | 0 | 0 | 0 | 111.4 | D99 T103 I104 | D99-D101 PolarHBondContact O-N 3.31Å; D99-D101 VanDerWaalsContact O-N 3.11Å; D101-T103 PolarHBondContact O-N 3.35Å; D101-I104 HydrophobicContact CB-CB 4.37Å; D101-I104 HydrophobicContact CB-CD1 3.81Å; D101-I104 HydrophobicContact CB-CG1 3.84Å; D101-I104 VanDerWaalsContact O-CB 3.24Å; D101-I104 WeakPolarHBondContact O-CB 3.39Å; D101-I104 PolarHBondContact O-N 2.84Å | ||
| 102 | V | 54.6 | Low | 59 | Low | 128 Ų | 128 | 75.2 Ų | 75.2 | 78% | 0.776 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.4 | -27.8 | 175.2 | -174 | 0 | 0 | 0 | 0 | 111.1 | I104 L105 G106 | V102-I104 VanDerWaalsContact C-N 3.26Å; V102-I104 PolarHBondContact O-N 3.14Å; V102-L105 VanDerWaalsContact O-CB 3.29Å; V102-L105 WeakPolarHBondContact O-CB 3.31Å; V102-L105 PolarHBondContact O-N 3.01Å; V102-G106 PolarHBondContact O-N 3.06Å |
| 103 | T | 58 | Low | 59.2 | Low | 92 Ų | 92 | 74.7 Ų | 74.7 | 56% | 0.564 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.9 | -32.3 | 172.3 | -33.8 | 0 | 0 | 0 | 0 | 112.5 | D101 L105 K107 | D101-T103 PolarHBondContact O-N 3.35Å; T103-L105 VanDerWaalsContact C-N 3.35Å; T103-K107 WeakPolarHBondContact O-CG 3.42Å; T103-K107 PolarHBondContact O-N 3.13Å |
| 104 | I | 61.7 | Low | 60.2 | Low | 22 Ų | 22 | 72.9 Ų | 72.9 | 11% | 0.113 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.3 | -37 | 176.6 | -70.6 | 172.7 | 0 | 0 | 0 | 110.4 | D101 V102 K107 M108 L213 Y221 | D101-I104 HydrophobicContact CB-CB 4.37Å; D101-I104 HydrophobicContact CB-CD1 3.81Å; D101-I104 HydrophobicContact CB-CG1 3.84Å; D101-I104 VanDerWaalsContact O-CB 3.24Å; D101-I104 WeakPolarHBondContact O-CB 3.39Å; D101-I104 PolarHBondContact O-N 2.84Å; V102-I104 VanDerWaalsContact C-N 3.26Å; V102-I104 PolarHBondContact O-N 3.14Å; I104-K107 PolarHBondContact O-N 3.44Å; I104-M108 HydrophobicContact CB-CE 4.5Å; I104-M108 HydrophobicContact CG2-CE 3.15Å; I104-M108 WeakPolarHBondContact O-CE 2.79Å; I104-M108 PolarHBondContact O-N 2.86Å; I104-L213 HydrophobicContact CG2-CD2 3.5Å; I104-Y221 HydrophobicContact CD1-CE2 4.04Å; I104-Y221 HydrophobicContact CG2-CD1 4.18Å; I104-Y221 HydrophobicContact CG2-CD2 4.06Å; I104-Y221 HydrophobicContact CG2-CE1 4.31Å; I104-Y221 HydrophobicContact CG2-CE2 4.25Å; I104-Y221 HydrophobicContact CG2-CG 4.11Å |
| 105 | L | 58.2 | Low | 60.8 | Low | 97 Ų | 97 | 69.4 Ų | 69.4 | 51% | 0.508 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 177 | -150.5 | 81.6 | 0 | 0 | 0 | 111.5 | V102 T103 M108 I225 | V102-L105 VanDerWaalsContact O-CB 3.29Å; V102-L105 WeakPolarHBondContact O-CB 3.31Å; V102-L105 PolarHBondContact O-N 3.01Å; T103-L105 VanDerWaalsContact C-N 3.35Å; L105-M108 PolarHBondContact O-N 3.45Å; L105-I225 HydrophobicContact CD1-CD1 3.71Å; L105-I225 HydrophobicContact CD1-CG1 3.75Å |
| 106 | G | 59.4 | Low | 61.3 | Low | 54 Ų | 54 | 69.9 Ų | 69.9 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V102 M108 F109 | V102-G106 PolarHBondContact O-N 3.06Å; G106-M108 VanDerWaalsContact C-N 3.28Å; G106-M108 PolarHBondContact O-N 2.89Å; G106-F109 WeakPolarHBondContact O-CB 3.44Å; G106-F109 PolarHBondContact O-N 3.38Å |
| 107 | K | 63.6 | Low | 62.2 | Low | 85 Ų | 85 | 64.6 Ų | 64.6 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.2 | -22.2 | 176 | -75.8 | -175.7 | -179.2 | -164.8 | 0 | 113.8 | T103 I104 K207 E212 | T103-K107 WeakPolarHBondContact O-CG 3.42Å; T103-K107 PolarHBondContact O-N 3.13Å; I104-K107 PolarHBondContact O-N 3.44Å; K107-K207 WeakPolarHBondContact O-CE 3.14Å; K107-K207 PolarHBondContact O-NZ 2.86Å; K107-E212 IonicContact NZ-OE1 2.74Å; K107-E212 PolarHBondContact NZ-OE1 2.68Å |
| 108 | M | 64.6 | Low | 63 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -86 | -14 | 177.6 | -100.2 | 178.2 | -75.4 | 0 | 0 | 114.2 | I104 L105 G106 L111 P112 L213 Y221 I225 | I104-M108 HydrophobicContact CB-CE 4.5Å; I104-M108 HydrophobicContact CG2-CE 3.15Å; I104-M108 WeakPolarHBondContact O-CE 2.79Å; I104-M108 PolarHBondContact O-N 2.86Å; L105-M108 PolarHBondContact O-N 3.45Å; G106-M108 VanDerWaalsContact C-N 3.28Å; G106-M108 PolarHBondContact O-N 2.89Å; M108-L111 HydrophobicContact CG-CD1 4.04Å; M108-L111 VanDerWaalsContact O-CB 3.22Å; M108-L111 WeakPolarHBondContact O-CB 3.16Å; M108-L111 PolarHBondContact O-N 2.9Å; M108-P112 WeakPolarHBondContact O-CD 3.22Å; M108-L213 HydrophobicContact CE-CD2 4.04Å; M108-Y221 VanDerWaalsContact CE-CB 3.4Å; M108-Y221 HydrophobicContact CE-CD1 4.26Å; M108-Y221 HydrophobicContact CE-CD2 4.5Å; M108-Y221 HydrophobicContact CE-CG 3.84Å; M108-I225 HydrophobicContact CB-CD1 4.03Å; M108-I225 HydrophobicContact CE-CD1 3.22Å; M108-I225 HydrophobicContact CG-CD1 4.31Å; M108-I225 HydrophobicContact SD-CD1 3.31Å; M108-I225 WeakPolarHBondContact SD-CD1 3.25Å |
| 109 | F | 59.5 | Low | 63.5 | Low | 150 Ų | 150 | 65.8 Ų | 65.8 | 66% | 0.658 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.5 | 167.3 | -166.4 | -99.2 | 0 | 0 | 0 | 109.2 | G106 | G106-F109 WeakPolarHBondContact O-CB 3.44Å; G106-F109 PolarHBondContact O-N 3.38Å |
| 110 | P | 70.2 | Confident | 64.2 | Low | 38 Ų | 38 | 62.5 Ų | 62.5 | 25% | 0.247 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -104.2 | 15.4 | 14.9 | 39.6 | -35.6 | 0 | 0 | 0 | 115.9 | L113 L114 F203 | P110-L113 PolarHBondContact O-N 3.35Å; P110-L114 HydrophobicContact CG-CD1 4.43Å; P110-L114 PolarHBondContact O-N 2.97Å; P110-F203 HydrophobicContact CG-CE2 4.34Å; P110-F203 HydrophobicContact CG-CZ 4.27Å |
| 111 | L | 68.9 | Low | 65 | Low | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -49.5 | -44.2 | -176.7 | -72 | 166.2 | 0 | 0 | 0 | 115.1 | M108 L113 L114 Y115 S200 F203 V204 | M108-L111 HydrophobicContact CG-CD1 4.04Å; M108-L111 VanDerWaalsContact O-CB 3.22Å; M108-L111 WeakPolarHBondContact O-CB 3.16Å; M108-L111 PolarHBondContact O-N 2.9Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.32Å; L111-L114 PolarHBondContact O-N 3.5Å; L111-Y115 HydrophobicContact CB-CD2 4.46Å; L111-Y115 HydrophobicContact CB-CE2 4.41Å; L111-Y115 HydrophobicContact CD2-CE2 4.39Å; L111-Y115 WeakPolarHBondContact O-CD2 3.14Å; L111-Y115 PolarHBondContact O-N 3.26Å; L111-S200 WeakPolarHBondContact CD2-O 3.48Å; L111-F203 HydrophobicContact CD2-CB 3.42Å; L111-F203 VanDerWaalsContact CD2-CB 3.42Å; L111-F203 HydrophobicContact CD2-CG 4.5Å; L111-F203 HydrophobicContact CG-CB 4.13Å; L111-V204 HydrophobicContact CD1-CG2 4.32Å; L111-V204 HydrophobicContact CD2-CG2 3.74Å |
| 112 | P | 68.3 | Low | 65.5 | Low | 28 Ų | 28 | 52.8 Ų | 52.8 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | -174.7 | -21.3 | 36.9 | 0 | 0 | 0 | 111.7 | M108 Y115 V116 I225 P229 | M108-P112 WeakPolarHBondContact O-CD 3.22Å; P112-Y115 PolarHBondContact O-N 3.44Å; P112-V116 WeakPolarHBondContact O-CG2 3.29Å; P112-V116 PolarHBondContact O-N 3.27Å; P112-I225 HydrophobicContact CB-CG2 3.58Å; P112-I225 HydrophobicContact CG-CB 4.44Å; P112-I225 HydrophobicContact CG-CG2 3.1Å; P112-P229 HydrophobicContact CB-CG 4.3Å |
| 113 | L | 70.6 | Confident | 66 | Low | 115 Ų | 115 | 48.2 Ų | 48.2 | 60% | 0.602 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.6 | -41.9 | 177.3 | -174.5 | 68.8 | 0 | 0 | 0 | 111.2 | P110 L111 Y115 V116 G117 | P110-L113 PolarHBondContact O-N 3.35Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.32Å; L113-Y115 VanDerWaalsContact C-N 3.28Å; L113-Y115 PolarHBondContact O-N 2.86Å; L113-V116 PolarHBondContact O-N 2.97Å; L113-G117 PolarHBondContact O-N 3.46Å |
| 114 | L | 76 | Confident | 66.2 | Low | 26 Ų | 26 | 47.7 Ų | 47.7 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.3 | -64.8 | 173.4 | 0 | 0 | 0 | 111.3 | P110 L111 N118 L196 A199 F203 | P110-L114 HydrophobicContact CG-CD1 4.43Å; P110-L114 PolarHBondContact O-N 2.97Å; L111-L114 PolarHBondContact O-N 3.5Å; L114-N118 VanDerWaalsContact O-CB 3.23Å; L114-N118 WeakPolarHBondContact O-CB 3.42Å; L114-N118 PolarHBondContact O-N 3.3Å; L114-L196 HydrophobicContact CD2-CD2 3.79Å; L114-A199 HydrophobicContact CD1-CB 3.95Å; L114-A199 HydrophobicContact CD2-CB 4.11Å; L114-F203 HydrophobicContact CD1-CD2 3.54Å; L114-F203 HydrophobicContact CD1-CE2 3.92Å |
| 115 | Y | 69 | Low | 66 | Low | 42 Ų | 42 | 46.7 Ų | 46.7 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.8 | -39.4 | 176.9 | -78.1 | -60 | 0 | 0 | 0 | 113.7 | L111 P112 L113 N118 Q119 N222 M226 | L111-Y115 HydrophobicContact CB-CD2 4.46Å; L111-Y115 HydrophobicContact CB-CE2 4.41Å; L111-Y115 HydrophobicContact CD2-CE2 4.39Å; L111-Y115 WeakPolarHBondContact O-CD2 3.14Å; L111-Y115 PolarHBondContact O-N 3.26Å; P112-Y115 PolarHBondContact O-N 3.44Å; L113-Y115 VanDerWaalsContact C-N 3.28Å; L113-Y115 PolarHBondContact O-N 2.86Å; Y115-N118 WeakPolarHBondContact O-CB 3.22Å; Y115-N118 PolarHBondContact O-N 2.96Å; Y115-Q119 WeakPolarHBondContact O-CB 3.36Å; Y115-Q119 PolarHBondContact O-N 3.14Å; Y115-N222 WeakPolarHBondContact CE2-OD1 3.38Å; Y115-N222 PolarHBondContact OH-ND2 2.66Å; Y115-M226 HydrophobicContact CD1-CE 3.15Å; Y115-M226 HydrophobicContact CD2-CE 3.47Å; Y115-M226 VanDerWaalsContact CD2-CE 3.47Å; Y115-M226 HydrophobicContact CD2-CG 4.2Å; Y115-M226 HydrophobicContact CE1-CE 3.06Å; Y115-M226 HydrophobicContact CE2-CE 3.4Å; Y115-M226 VanDerWaalsContact CE2-CE 3.4Å; Y115-M226 HydrophobicContact CG-CE 3.34Å; Y115-M226 HydrophobicContact CG-CG 4.29Å |
| 116 | V | 66.2 | Low | 66.2 | Low | 36 Ų | 36 | 45 Ų | 45 | 22% | 0.218 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.1 | -57.3 | 169.5 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | P112 L113 N118 Q119 I120 P229 | P112-V116 WeakPolarHBondContact O-CG2 3.29Å; P112-V116 PolarHBondContact O-N 3.27Å; L113-V116 PolarHBondContact O-N 2.97Å; V116-N118 PolarHBondContact O-N 3.22Å; V116-Q119 PolarHBondContact O-N 3.31Å; V116-I120 HydrophobicContact CG1-CD1 3.59Å; V116-I120 HydrophobicContact CG1-CG1 4.16Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.2Å; V116-I120 PolarHBondContact O-N 2.75Å; V116-P229 HydrophobicContact CB-CB 4.38Å; V116-P229 HydrophobicContact CG2-CB 2.99Å; V116-P229 HydrophobicContact CG2-CG 4.09Å |
| 117 | G | 68.3 | Low | 66.4 | Low | 21 Ų | 21 | 48.8 Ų | 48.8 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L113 S121 L196 | L113-G117 PolarHBondContact O-N 3.46Å; G117-S121 VanDerWaalsContact O-CB 3.28Å; G117-S121 WeakPolarHBondContact O-CB 3.34Å; G117-S121 PolarHBondContact O-N 3.36Å; G117-S121 PolarHBondContact O-OG 3.41Å; G117-L196 WeakPolarHBondContact O-CD1 3.32Å |
| 118 | N | 74 | Confident | 66.4 | Low | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 173.4 | -174.7 | 37.2 | 0 | 0 | 0 | 111.7 | L114 Y115 V116 I120 S121 G122 N193 L196 T197 | L114-N118 VanDerWaalsContact O-CB 3.23Å; L114-N118 WeakPolarHBondContact O-CB 3.42Å; L114-N118 PolarHBondContact O-N 3.3Å; Y115-N118 WeakPolarHBondContact O-CB 3.22Å; Y115-N118 PolarHBondContact O-N 2.96Å; V116-N118 PolarHBondContact O-N 3.22Å; N118-I120 PolarHBondContact O-N 2.88Å; N118-S121 PolarHBondContact O-OG 2.97Å; N118-S121 VanDerWaalsContact O-OG 3.11Å; N118-G122 PolarHBondContact O-N 2.92Å; N118-N193 PolarHBondContact O-ND2 3.35Å; N118-N193 PolarHBondContact OD1-ND2 3.46Å; N118-N193 PolarHBondContact OD1-O 3.43Å; N118-L196 HydrophobicContact CB-CB 4.08Å; N118-T197 PolarHBondContact ND2-OG1 2.87Å; N118-T197 PolarHBondContact OD1-OG1 3.35Å |
| 119 | Q | 66.2 | Low | 66.4 | Low | 76 Ų | 76 | 51.1 Ų | 51.1 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | -178.3 | -166.5 | 65.9 | 26 | 0 | 0 | 111.8 | Y115 V116 G122 L123 | Y115-Q119 WeakPolarHBondContact O-CB 3.36Å; Y115-Q119 PolarHBondContact O-N 3.14Å; V116-Q119 PolarHBondContact O-N 3.31Å; Q119-G122 PolarHBondContact O-N 3.37Å; Q119-L123 WeakPolarHBondContact O-CB 3.39Å; Q119-L123 PolarHBondContact O-N 3.29Å |
| 120 | I | 67.3 | Low | 66.8 | Low | 51 Ų | 51 | 45.3 Ų | 45.3 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.8 | -56.7 | -179.8 | -61.6 | -175.6 | 0 | 0 | 0 | 110.3 | V116 N118 G122 L123 F124 Y233 | V116-I120 HydrophobicContact CG1-CD1 3.59Å; V116-I120 HydrophobicContact CG1-CG1 4.16Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.2Å; V116-I120 PolarHBondContact O-N 2.75Å; N118-I120 PolarHBondContact O-N 2.88Å; I120-G122 PolarHBondContact O-N 2.8Å; I120-L123 PolarHBondContact O-N 3.06Å; I120-F124 HydrophobicContact CG2-CD2 3.76Å; I120-F124 HydrophobicContact CG2-CE2 3.66Å; I120-F124 WeakPolarHBondContact O-CD2 3.47Å; I120-F124 PolarHBondContact O-N 3.06Å; I120-F124 VanDerWaalsContact O-N 3.12Å; I120-Y233 HydrophobicContact CB-CE2 4.27Å; I120-Y233 HydrophobicContact CD1-CD2 3.42Å; I120-Y233 VanDerWaalsContact CD1-CD2 3.42Å; I120-Y233 HydrophobicContact CD1-CE2 3.63Å; I120-Y233 HydrophobicContact CD1-CG 4.22Å; I120-Y233 HydrophobicContact CG1-CD1 4.4Å; I120-Y233 HydrophobicContact CG1-CD2 3.46Å; I120-Y233 VanDerWaalsContact CG1-CD2 3.46Å; I120-Y233 HydrophobicContact CG1-CE1 4.32Å; I120-Y233 HydrophobicContact CG1-CE2 3.4Å; I120-Y233 HydrophobicContact CG1-CG 3.98Å; I120-Y233 HydrophobicContact CG2-CE2 4.17Å |
| 121 | S | 66.8 | Low | 66.5 | Low | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -33.5 | -179.4 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | G117 N118 G125 N193 | G117-S121 VanDerWaalsContact O-CB 3.28Å; G117-S121 WeakPolarHBondContact O-CB 3.34Å; G117-S121 PolarHBondContact O-N 3.36Å; G117-S121 PolarHBondContact O-OG 3.41Å; N118-S121 PolarHBondContact O-OG 2.97Å; N118-S121 VanDerWaalsContact O-OG 3.11Å; S121-G125 PolarHBondContact O-N 3.47Å; S121-N193 WeakPolarHBondContact OG-CA 3.31Å; S121-N193 WeakPolarHBondContact OG-CB 3.36Å; S121-N193 PolarHBondContact OG-ND2 3.03Å |
| 122 | G | 65.4 | Low | 66.2 | Low | 7 Ų | 7 | 47 Ų | 47 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.2 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N118 Q119 I120 G125 T126 N193 | N118-G122 PolarHBondContact O-N 2.92Å; Q119-G122 PolarHBondContact O-N 3.37Å; I120-G122 PolarHBondContact O-N 2.8Å; G122-G125 PolarHBondContact O-N 3.36Å; G122-T126 PolarHBondContact O-N 3.39Å; G122-T126 PolarHBondContact O-OG1 3.27Å; G122-N193 WeakPolarHBondContact CA-ND2 3.28Å; G122-N193 PolarHBondContact N-ND2 3.35Å |
| 123 | L | 64.1 | Low | 66.3 | Low | 32 Ų | 32 | 45.7 Ų | 45.7 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -48.2 | 177.3 | -173.7 | 61.3 | 0 | 0 | 0 | 111.1 | S71 Q119 I120 G125 T126 Q127 Y233 | S71-L123 WeakPolarHBondContact OG-CD1 3.23Å; Q119-L123 WeakPolarHBondContact O-CB 3.39Å; Q119-L123 PolarHBondContact O-N 3.29Å; I120-L123 PolarHBondContact O-N 3.06Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.41Å; L123-T126 PolarHBondContact O-N 2.88Å; L123-T126 VanDerWaalsContact O-N 3.16Å; L123-Q127 PolarHBondContact O-N 3.05Å; L123-Q127 VanDerWaalsContact O-N 3.17Å; L123-Y233 HydrophobicContact CD2-CE1 4.18Å |
| 124 | F | 62.3 | Low | 66.3 | Low | 81 Ų | 81 | 41.2 Ų | 41.2 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 175 | -77.1 | -69.2 | 0 | 0 | 0 | 112.3 | I120 T126 Q127 R128 F189 | I120-F124 HydrophobicContact CG2-CD2 3.76Å; I120-F124 HydrophobicContact CG2-CE2 3.66Å; I120-F124 WeakPolarHBondContact O-CD2 3.47Å; I120-F124 PolarHBondContact O-N 3.06Å; I120-F124 VanDerWaalsContact O-N 3.12Å; F124-T126 VanDerWaalsContact C-N 3.29Å; F124-T126 PolarHBondContact O-N 3.21Å; F124-Q127 PolarHBondContact O-N 3.23Å; F124-R128 PolarHBondContact O-N 3.48Å; F124-F189 HydrophobicContact CB-CD1 4.39Å; F124-F189 HydrophobicContact CB-CD2 4.22Å; F124-F189 HydrophobicContact CB-CG 4.16Å |
| 125 | G | 58.5 | Low | 65.8 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -31.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S121 G122 L123 L129 | S121-G125 PolarHBondContact O-N 3.47Å; G122-G125 PolarHBondContact O-N 3.36Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.41Å; G125-L129 VanDerWaalsContact O-CB 3.27Å; G125-L129 WeakPolarHBondContact O-CB 3.49Å; G125-L129 WeakPolarHBondContact O-CG 3.29Å; G125-L129 PolarHBondContact O-N 2.99Å |
| 126 | T | 62.4 | Low | 65.9 | Low | 63 Ų | 63 | 39.1 Ų | 39.1 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.5 | -32.4 | 178.5 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | G122 L123 F124 R128 F134 | G122-T126 PolarHBondContact O-N 3.39Å; G122-T126 PolarHBondContact O-OG1 3.27Å; L123-T126 PolarHBondContact O-N 2.88Å; L123-T126 VanDerWaalsContact O-N 3.16Å; F124-T126 VanDerWaalsContact C-N 3.29Å; F124-T126 PolarHBondContact O-N 3.21Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 2.89Å; T126-F134 WeakPolarHBondContact OG1-CE2 3.47Å; T126-F134 VanDerWaalsContact OG1-CZ 3.27Å; T126-F134 WeakPolarHBondContact OG1-CZ 3.5Å |
| 127 | Q | 62 | Low | 66.3 | Low | 133 Ų | 133 | 37.5 Ų | 37.5 | 62% | 0.621 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -72.3 | -22.2 | 179.1 | -72 | -179 | -10.3 | 0 | 0 | 113.5 | L123 F124 | L123-Q127 PolarHBondContact O-N 3.05Å; L123-Q127 VanDerWaalsContact O-N 3.17Å; F124-Q127 PolarHBondContact O-N 3.23Å |
| 128 | R | 63.7 | Low | 66.6 | Low | 131 Ų | 131 | 41.6 Ų | 41.6 | 49% | 0.494 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -110.1 | -14.3 | -172.8 | -62.4 | -60.9 | -172.1 | 133.4 | 2.2 | 114.3 | F124 T126 D183 | F124-R128 PolarHBondContact O-N 3.48Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 2.89Å; R128-D183 IonicContact NH1-OD2 3.91Å |
| 129 | L | 65.3 | Low | 66.6 | Low | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -118.7 | 142.2 | -176.6 | -59.8 | 176.4 | 0 | 0 | 0 | 112 | G125 F134 L137 Y187 I190 | G125-L129 VanDerWaalsContact O-CB 3.27Å; G125-L129 WeakPolarHBondContact O-CB 3.49Å; G125-L129 WeakPolarHBondContact O-CG 3.29Å; G125-L129 PolarHBondContact O-N 2.99Å; L129-F134 HydrophobicContact CB-CB 4.48Å; L129-L137 HydrophobicContact CD1-CD1 4.09Å; L129-Y187 HydrophobicContact CD2-CD2 3.46Å; L129-Y187 VanDerWaalsContact CD2-CD2 3.46Å; L129-Y187 HydrophobicContact CD2-CE2 3.58Å; L129-I190 HydrophobicContact CD1-CB 3.79Å; L129-I190 HydrophobicContact CD1-CG1 4.32Å; L129-I190 HydrophobicContact CD1-CG2 3.64Å |
| 130 | N | 67.1 | Low | 67.2 | Low | 28 Ų | 28 | 39.1 Ų | 39.1 | 15% | 0.15 | 18% | 0.184 | C | C | . | . | trans | -62.3 | 142.2 | 170.8 | -68.3 | -16.8 | 0 | 0 | 0 | 111.5 | P132 M133 F134 A181 D305 | N130-P132 VanDerWaalsContact C-CD 3.47Å; N130-P132 VanDerWaalsContact C-N 3.35Å; N130-M133 PolarHBondContact O-N 2.87Å; N130-F134 PolarHBondContact O-N 3.47Å; N130-A181 WeakPolarHBondContact ND2-CB 3.32Å; N130-D305 VanDerWaalsContact CG-O 3.27Å; N130-D305 PolarHBondContact ND2-O 2.99Å; N130-D305 PolarHBondContact OD1-O 3.05Å | ||
| 131 | L | 65.4 | Low | 67.8 | Low | 77 Ų | 77 | 37 Ų | 37 | 40% | 0.403 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -50.9 | -41.7 | -176.6 | -68.5 | 169.9 | 0 | 0 | 0 | 114.7 | T135 | L131-T135 PolarHBondContact O-N 3.43Å; L131-T135 VanDerWaalsContact O-N 3.11Å; L131-T135 PolarHBondContact O-OG1 2.96Å |
| 132 | P | 62 | Low | 68.5 | Low | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 177.6 | -24.4 | 38.8 | 0 | 0 | 0 | 112.5 | N130 T135 V136 M300 Y306 L316 | N130-P132 VanDerWaalsContact C-CD 3.47Å; N130-P132 VanDerWaalsContact C-N 3.35Å; P132-T135 PolarHBondContact O-N 3.15Å; P132-V136 WeakPolarHBondContact O-CG2 3.4Å; P132-V136 PolarHBondContact O-N 3.19Å; P132-M300 HydrophobicContact CB-CG 4.25Å; P132-M300 HydrophobicContact CG-CG 3.72Å; P132-Y306 HydrophobicContact CB-CD2 4.04Å; P132-Y306 HydrophobicContact CB-CE2 4.04Å; P132-Y306 HydrophobicContact CG-CD2 3.57Å; P132-Y306 HydrophobicContact CG-CE2 4.03Å; P132-Y306 HydrophobicContact CG-CG 3.98Å; P132-L316 HydrophobicContact CB-CD1 4.42Å; P132-L316 HydrophobicContact CB-CD2 4.48Å |
| 133 | M | 70.2 | Confident | 69.3 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.3 | -39.8 | 179.9 | -73.4 | -51.7 | -64 | 0 | 0 | 112.6 | N130 T135 V136 L137 A175 A176 D179 Y187 N312 | N130-M133 PolarHBondContact O-N 2.87Å; M133-T135 VanDerWaalsContact C-N 3.26Å; M133-T135 PolarHBondContact O-N 3.06Å; M133-V136 PolarHBondContact O-N 3.44Å; M133-L137 WeakPolarHBondContact O-CB 3.21Å; M133-L137 VanDerWaalsContact O-CG 3.32Å; M133-L137 WeakPolarHBondContact O-CG 3.48Å; M133-L137 PolarHBondContact O-N 2.84Å; M133-A175 HydrophobicContact SD-CB 4.26Å; M133-A176 HydrophobicContact CE-CB 3.87Å; M133-D179 HydrophobicContact CE-CB 4.06Å; M133-D179 HydrophobicContact CG-CB 4.39Å; M133-D179 WeakPolarHBondContact CG-OD2 3.28Å; M133-D179 HydrophobicContact SD-CB 4.38Å; M133-Y187 WeakPolarHBondContact CE-OH 3.13Å; M133-N312 PolarHBondContact SD-ND2 3.22Å |
| 134 | F | 69.9 | Low | 70.2 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 9% | 0.088 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.6 | -44.6 | 169.1 | -177.7 | -96 | 0 | 0 | 0 | 111.9 | T126 L129 N130 V136 R138 I190 | T126-F134 WeakPolarHBondContact OG1-CE2 3.47Å; T126-F134 VanDerWaalsContact OG1-CZ 3.27Å; T126-F134 WeakPolarHBondContact OG1-CZ 3.5Å; L129-F134 HydrophobicContact CB-CB 4.48Å; N130-F134 PolarHBondContact O-N 3.47Å; F134-V136 PolarHBondContact O-N 2.95Å; F134-R138 VanDerWaalsContact CZ-CZ 3.42Å; F134-R138 VanDerWaalsContact O-CB 3.25Å; F134-R138 WeakPolarHBondContact O-CB 3.3Å; F134-R138 PolarHBondContact O-N 3.35Å; F134-I190 HydrophobicContact CD2-CD1 3.57Å; F134-I190 HydrophobicContact CD2-CG1 4.29Å; F134-I190 HydrophobicContact CE2-CD1 3.42Å; F134-I190 VanDerWaalsContact CE2-CD1 3.42Å; F134-I190 HydrophobicContact CG-CD1 4.42Å; F134-I190 HydrophobicContact CZ-CD1 4.19Å |
| 135 | T | 65.6 | Low | 71 | Confident | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | L131 P132 M133 T296 | L131-T135 PolarHBondContact O-N 3.43Å; L131-T135 VanDerWaalsContact O-N 3.11Å; L131-T135 PolarHBondContact O-OG1 2.96Å; P132-T135 PolarHBondContact O-N 3.15Å; M133-T135 VanDerWaalsContact C-N 3.26Å; M133-T135 PolarHBondContact O-N 3.06Å; T135-T296 WeakPolarHBondContact CG2-OG1 3.34Å |
| 136 | V | 70.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.1 | -49.1 | 177.8 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | P132 M133 F134 R138 R139 A172 A175 L316 | P132-V136 WeakPolarHBondContact O-CG2 3.4Å; P132-V136 PolarHBondContact O-N 3.19Å; M133-V136 PolarHBondContact O-N 3.44Å; F134-V136 PolarHBondContact O-N 2.95Å; V136-R138 PolarHBondContact O-N 2.91Å; V136-R139 VanDerWaalsContact O-CB 3.23Å; V136-R139 WeakPolarHBondContact O-CB 3.09Å; V136-R139 PolarHBondContact O-N 3.32Å; V136-A172 HydrophobicContact CG1-CB 3.32Å; V136-A175 HydrophobicContact CG1-CB 4.1Å; V136-L316 HydrophobicContact CG2-CD2 3.09Å; V136-L316 HydrophobicContact CG2-CG 3.78Å |
| 137 | L | 74.6 | Confident | 73.1 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -34.2 | 179.3 | -69.4 | 171.2 | 0 | 0 | 0 | 110.6 | L129 M133 R139 F140 Y187 I190 N194 | L129-L137 HydrophobicContact CD1-CD1 4.09Å; M133-L137 WeakPolarHBondContact O-CB 3.21Å; M133-L137 VanDerWaalsContact O-CG 3.32Å; M133-L137 WeakPolarHBondContact O-CG 3.48Å; M133-L137 PolarHBondContact O-N 2.84Å; L137-R139 PolarHBondContact O-N 3.19Å; L137-R139 VanDerWaalsContact O-N 3.08Å; L137-F140 HydrophobicContact CD2-CD2 4.48Å; L137-F140 HydrophobicContact CD2-CE2 4.4Å; L137-F140 WeakPolarHBondContact O-CB 3.01Å; L137-F140 PolarHBondContact O-N 3.45Å; L137-Y187 HydrophobicContact CD1-CD1 3.69Å; L137-Y187 HydrophobicContact CD1-CD2 4.28Å; L137-Y187 HydrophobicContact CD1-CE1 3.54Å; L137-Y187 HydrophobicContact CD1-CE2 4.16Å; L137-Y187 HydrophobicContact CD1-CG 4.08Å; L137-Y187 HydrophobicContact CD2-CD1 4.17Å; L137-Y187 HydrophobicContact CD2-CE1 3.95Å; L137-Y187 HydrophobicContact CG-CE1 4.32Å; L137-I190 HydrophobicContact CB-CG1 3.97Å; L137-I190 HydrophobicContact CB-CG2 3.97Å; L137-I190 HydrophobicContact CD1-CG2 3.64Å; L137-I190 HydrophobicContact CG-CG2 4.38Å; L137-N194 PolarHBondContact O-ND2 3.46Å |
| 138 | R | 74.2 | Confident | 74 | Confident | 106 Ų | 106 | 39.3 Ų | 39.3 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.1 | 172.7 | -173.3 | 167 | -77.7 | -169.6 | -12.6 | 114.2 | F134 V136 F140 S141 N193 N194 | F134-R138 VanDerWaalsContact CZ-CZ 3.42Å; F134-R138 VanDerWaalsContact O-CB 3.25Å; F134-R138 WeakPolarHBondContact O-CB 3.3Å; F134-R138 PolarHBondContact O-N 3.35Å; V136-R138 PolarHBondContact O-N 2.91Å; R138-F140 VanDerWaalsContact C-N 3.26Å; R138-F140 PolarHBondContact O-N 2.82Å; R138-S141 WeakPolarHBondContact O-CB 3.34Å; R138-S141 PolarHBondContact O-N 3.24Å; R138-N193 PolarHBondContact NH2-OD1 2.84Å; R138-N194 WeakPolarHBondContact CA-OD1 3.3Å |
| 139 | R | 75.7 | Confident | 74.6 | Confident | 16 Ų | 16 | 34 Ų | 34 | 6% | 0.06 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.4 | 175.8 | -59.7 | 174.6 | -176 | -177.4 | 1.4 | 112.7 | V136 L137 S141 I142 S319 I320 | V136-R139 VanDerWaalsContact O-CB 3.23Å; V136-R139 WeakPolarHBondContact O-CB 3.09Å; V136-R139 PolarHBondContact O-N 3.32Å; L137-R139 PolarHBondContact O-N 3.19Å; L137-R139 VanDerWaalsContact O-N 3.08Å; R139-S141 PolarHBondContact O-N 3.44Å; R139-I142 HydrophobicContact CB-CD1 4.46Å; R139-I142 WeakPolarHBondContact O-CB 3.39Å; R139-I142 PolarHBondContact O-N 2.72Å; R139-I142 VanDerWaalsContact O-N 3.09Å; R139-S319 WeakPolarHBondContact CD-OG 3.36Å; R139-S319 PolarHBondContact NH1-O 3.36Å; R139-S319 PolarHBondContact NH1-OG 2.86Å; R139-I320 VanDerWaalsContact NH2-CG1 3.27Å |
| 140 | F | 79 | Confident | 75.3 | Confident | 35 Ų | 35 | 35 Ų | 35 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -27.6 | 167.2 | -83.4 | -96 | 0 | 0 | 0 | 112.2 | L137 R138 I142 F143 L144 I169 A172 M191 | L137-F140 HydrophobicContact CD2-CD2 4.48Å; L137-F140 HydrophobicContact CD2-CE2 4.4Å; L137-F140 WeakPolarHBondContact O-CB 3.01Å; L137-F140 PolarHBondContact O-N 3.45Å; R138-F140 VanDerWaalsContact C-N 3.26Å; R138-F140 PolarHBondContact O-N 2.82Å; F140-I142 PolarHBondContact O-N 3.5Å; F140-F143 WeakPolarHBondContact O-CB 3.22Å; F140-F143 PolarHBondContact O-N 3.09Å; F140-F143 VanDerWaalsContact O-N 3.13Å; F140-L144 WeakPolarHBondContact O-CG 3.41Å; F140-L144 PolarHBondContact O-N 3.44Å; F140-I169 HydrophobicContact CD1-CG1 4.25Å; F140-I169 HydrophobicContact CD1-CG2 4.3Å; F140-I169 HydrophobicContact CE1-CB 4.41Å; F140-I169 HydrophobicContact CE1-CG1 4.26Å; F140-I169 HydrophobicContact CE1-CG2 3.49Å; F140-I169 VanDerWaalsContact CE1-CG2 3.49Å; F140-I169 HydrophobicContact CE2-CG2 4.48Å; F140-I169 HydrophobicContact CZ-CG2 3.61Å; F140-A172 HydrophobicContact CD2-CB 4.13Å; F140-A172 HydrophobicContact CE2-CB 3.63Å; F140-M191 HydrophobicContact CB-CE 4.4Å; F140-M191 HydrophobicContact CB-SD 4.2Å; F140-M191 HydrophobicContact CD1-CE 3.9Å; F140-M191 HydrophobicContact CD2-CE 3.95Å; F140-M191 HydrophobicContact CE1-CE 4.05Å; F140-M191 HydrophobicContact CE2-CE 4.1Å; F140-M191 HydrophobicContact CG-CE 3.83Å; F140-M191 HydrophobicContact CG-SD 4.27Å; F140-M191 HydrophobicContact CZ-CE 4.14Å |
| 141 | S | 79.3 | Confident | 76.1 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -31.4 | 174.4 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | R138 R139 F143 L144 T145 N194 T197 | R138-S141 WeakPolarHBondContact O-CB 3.34Å; R138-S141 PolarHBondContact O-N 3.24Å; R139-S141 PolarHBondContact O-N 3.44Å; S141-F143 PolarHBondContact O-N 3.45Å; S141-L144 PolarHBondContact O-N 2.91Å; S141-T145 VanDerWaalsContact O-CB 3.29Å; S141-T145 WeakPolarHBondContact O-CB 3.15Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 2.92Å; S141-N194 PolarHBondContact OG-O 3.33Å; S141-N194 VanDerWaalsContact OG-O 3.11Å; S141-T197 WeakPolarHBondContact OG-CB 3.48Å; S141-T197 WeakPolarHBondContact OG-CG2 3.35Å |
| 142 | I | 80.4 | Confident | 76.7 | Confident | 60 Ų | 60 | 40 Ų | 40 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 176.6 | -57.7 | 172.5 | 0 | 0 | 0 | 110.4 | R139 F140 T145 M146 V165 M168 | R139-I142 HydrophobicContact CB-CD1 4.46Å; R139-I142 WeakPolarHBondContact O-CB 3.39Å; R139-I142 PolarHBondContact O-N 2.72Å; R139-I142 VanDerWaalsContact O-N 3.09Å; F140-I142 PolarHBondContact O-N 3.5Å; I142-T145 PolarHBondContact O-N 2.95Å; I142-M146 PolarHBondContact O-N 2.77Å; I142-V165 HydrophobicContact CG2-CG2 4.23Å; I142-M168 HydrophobicContact CD1-SD 4.01Å |
| 143 | F | 82.9 | Confident | 77.3 | Confident | 81 Ų | 81 | 41.4 Ų | 41.4 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -48.4 | 175.5 | 171.5 | -104.5 | 0 | 0 | 0 | 112 | F140 S141 T145 M146 V147 V165 I169 | F140-F143 WeakPolarHBondContact O-CB 3.22Å; F140-F143 PolarHBondContact O-N 3.09Å; F140-F143 VanDerWaalsContact O-N 3.13Å; S141-F143 PolarHBondContact O-N 3.45Å; F143-T145 VanDerWaalsContact C-N 3.26Å; F143-T145 PolarHBondContact O-N 2.77Å; F143-M146 WeakPolarHBondContact O-CB 3.15Å; F143-M146 PolarHBondContact O-N 3.39Å; F143-M146 VanDerWaalsContact O-N 3.1Å; F143-V147 HydrophobicContact CE1-CG2 4.09Å; F143-V147 HydrophobicContact CE2-CG2 4.13Å; F143-V147 HydrophobicContact CZ-CG2 3.87Å; F143-V147 WeakPolarHBondContact O-CG2 3.31Å; F143-V147 PolarHBondContact O-N 2.96Å; F143-V165 HydrophobicContact CB-CG1 3.62Å; F143-V165 HydrophobicContact CD2-CG1 3.83Å; F143-V165 HydrophobicContact CG-CG1 4.22Å; F143-I169 HydrophobicContact CB-CD1 3.39Å; F143-I169 HydrophobicContact CB-CG1 4.08Å; F143-I169 HydrophobicContact CD1-CD1 3.9Å; F143-I169 HydrophobicContact CD2-CD1 3.51Å; F143-I169 HydrophobicContact CE2-CD1 4.23Å; F143-I169 HydrophobicContact CG-CD1 3.3Å; F143-I169 HydrophobicContact CG-CG1 4.45Å |
| 144 | L | 82.6 | Confident | 77.6 | Confident | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 177.8 | -67 | 171.3 | 0 | 0 | 0 | 111 | F140 S141 M146 V147 F148 N194 I195 A198 | F140-L144 WeakPolarHBondContact O-CG 3.41Å; F140-L144 PolarHBondContact O-N 3.44Å; S141-L144 PolarHBondContact O-N 2.91Å; L144-M146 VanDerWaalsContact C-N 3.32Å; L144-M146 PolarHBondContact O-N 2.94Å; L144-V147 PolarHBondContact O-N 2.99Å; L144-V147 VanDerWaalsContact O-N 3.14Å; L144-F148 WeakPolarHBondContact O-CD2 3.24Å; L144-F148 PolarHBondContact O-N 3.33Å; L144-N194 HydrophobicContact CD1-CB 3.86Å; L144-I195 HydrophobicContact CD1-CB 4.43Å; L144-I195 HydrophobicContact CD1-CG1 3.65Å; L144-A198 HydrophobicContact CB-CB 3.5Å |
| 145 | T | 80.1 | Confident | 77.7 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.6 | -56 | 0 | 0 | 0 | 0 | 110.4 | S141 I142 F143 V147 F148 E149 A198 | S141-T145 VanDerWaalsContact O-CB 3.29Å; S141-T145 WeakPolarHBondContact O-CB 3.15Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 2.92Å; I142-T145 PolarHBondContact O-N 2.95Å; F143-T145 VanDerWaalsContact C-N 3.26Å; F143-T145 PolarHBondContact O-N 2.77Å; T145-V147 VanDerWaalsContact C-N 3.32Å; T145-V147 PolarHBondContact O-N 3.01Å; T145-F148 PolarHBondContact O-N 3.19Å; T145-E149 HydrophobicContact CG2-CG 4.26Å; T145-E149 WeakPolarHBondContact O-CB 3.48Å; T145-E149 WeakPolarHBondContact O-CG 3.26Å; T145-E149 PolarHBondContact O-N 2.67Å; T145-A198 WeakPolarHBondContact OG1-CA 3.19Å; T145-A198 WeakPolarHBondContact OG1-CB 3.4Å |
| 146 | M | 80.1 | Confident | 78 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 174.3 | -176.5 | -173.3 | -74.3 | 0 | 0 | 112 | I142 F143 L144 G150 F157 I161 K162 V165 Y326 | I142-M146 PolarHBondContact O-N 2.77Å; F143-M146 WeakPolarHBondContact O-CB 3.15Å; F143-M146 PolarHBondContact O-N 3.39Å; F143-M146 VanDerWaalsContact O-N 3.1Å; L144-M146 VanDerWaalsContact C-N 3.32Å; L144-M146 PolarHBondContact O-N 2.94Å; M146-G150 PolarHBondContact O-N 3.25Å; M146-F157 HydrophobicContact CB-CE2 4.36Å; M146-F157 HydrophobicContact CE-CD1 4.37Å; M146-F157 HydrophobicContact CE-CG 4.32Å; M146-F157 HydrophobicContact CG-CD1 4.3Å; M146-F157 HydrophobicContact CG-CD2 3.43Å; M146-F157 VanDerWaalsContact CG-CD2 3.43Å; M146-F157 HydrophobicContact CG-CE1 4.32Å; M146-F157 HydrophobicContact CG-CE2 3.46Å; M146-F157 VanDerWaalsContact CG-CE2 3.46Å; M146-F157 HydrophobicContact CG-CG 3.87Å; M146-F157 HydrophobicContact CG-CZ 3.92Å; M146-F157 WeakPolarHBondContact O-CE2 3.35Å; M146-F157 HydrophobicContact SD-CB 4.43Å; M146-F157 HydrophobicContact SD-CD2 4.23Å; M146-F157 HydrophobicContact SD-CG 4.25Å; M146-I161 HydrophobicContact CE-CB 4.5Å; M146-I161 HydrophobicContact CE-CG2 3.42Å; M146-I161 VanDerWaalsContact CE-CG2 3.42Å; M146-K162 HydrophobicContact SD-CG 4.31Å; M146-V165 HydrophobicContact CE-CB 4.03Å; M146-V165 HydrophobicContact CE-CG1 4.44Å; M146-V165 HydrophobicContact CE-CG2 3.42Å; M146-V165 VanDerWaalsContact CE-CG2 3.42Å; M146-Y326 HydrophobicContact CE-CE2 4.45Å |
| 147 | V | 83.5 | Confident | 78.3 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 47% | 0.473 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 177 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | F143 L144 T145 G150 F151 | F143-V147 HydrophobicContact CE1-CG2 4.09Å; F143-V147 HydrophobicContact CE2-CG2 4.13Å; F143-V147 HydrophobicContact CZ-CG2 3.87Å; F143-V147 WeakPolarHBondContact O-CG2 3.31Å; F143-V147 PolarHBondContact O-N 2.96Å; L144-V147 PolarHBondContact O-N 2.99Å; L144-V147 VanDerWaalsContact O-N 3.14Å; T145-V147 VanDerWaalsContact C-N 3.32Å; T145-V147 PolarHBondContact O-N 3.01Å; V147-G150 PolarHBondContact O-N 3.05Å; V147-F151 PolarHBondContact O-N 3.05Å |
| 148 | F | 81.4 | Confident | 78.6 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 177.4 | -83.8 | -70.6 | 0 | 0 | 0 | 112.5 | L144 T145 G150 F151 L152 I195 A198 A199 A202 | L144-F148 WeakPolarHBondContact O-CD2 3.24Å; L144-F148 PolarHBondContact O-N 3.33Å; T145-F148 PolarHBondContact O-N 3.19Å; F148-G150 VanDerWaalsContact C-N 3.32Å; F148-G150 PolarHBondContact O-N 2.95Å; F148-F151 PolarHBondContact O-N 3.32Å; F148-L152 HydrophobicContact CD1-CD1 4.44Å; F148-L152 VanDerWaalsContact O-CB 3.28Å; F148-L152 WeakPolarHBondContact O-CB 3.22Å; F148-L152 WeakPolarHBondContact O-CG 3.49Å; F148-L152 PolarHBondContact O-N 3.26Å; F148-I195 HydrophobicContact CE2-CG2 4.25Å; F148-I195 HydrophobicContact CZ-CG2 4.24Å; F148-A198 HydrophobicContact CD2-CB 3.75Å; F148-A198 HydrophobicContact CE2-CB 4.15Å; F148-A199 HydrophobicContact CE1-CB 4.23Å; F148-A199 HydrophobicContact CE2-CB 4.25Å; F148-A199 HydrophobicContact CZ-CB 4.07Å; F148-A202 HydrophobicContact CB-CB 3.65Å |
| 149 | E | 77.6 | Confident | 78.9 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 173.6 | -75.9 | -171.3 | -167 | 0 | 0 | 111.4 | T145 F151 L153 K154 F157 A202 K205 | T145-E149 HydrophobicContact CG2-CG 4.26Å; T145-E149 WeakPolarHBondContact O-CB 3.48Å; T145-E149 WeakPolarHBondContact O-CG 3.26Å; T145-E149 PolarHBondContact O-N 2.67Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 2.97Å; E149-L153 WeakPolarHBondContact O-CA 3.39Å; E149-L153 VanDerWaalsContact O-CB 3.32Å; E149-L153 WeakPolarHBondContact O-CB 3.43Å; E149-L153 PolarHBondContact O-N 3.14Å; E149-K154 PolarHBondContact O-N 3.32Å; E149-F157 HydrophobicContact CB-CE2 4.15Å; E149-F157 HydrophobicContact CB-CZ 3.83Å; E149-F157 WeakPolarHBondContact OE2-CZ 3.41Å; E149-A202 HydrophobicContact CG-CB 4.23Å; E149-K205 HydrophobicContact CG-CD 4.27Å; E149-K205 WeakPolarHBondContact OE1-CD 2.95Å; E149-K205 IonicContact OE1-NZ 2.71Å; E149-K205 PolarHBondContact OE1-NZ 2.8Å; E149-K205 IonicContact OE2-NZ 2.71Å; E149-K205 PolarHBondContact OE2-NZ 2.96Å |
| 150 | G | 79.1 | Confident | 79.1 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M146 V147 F148 K154 | M146-G150 PolarHBondContact O-N 3.25Å; V147-G150 PolarHBondContact O-N 3.05Å; F148-G150 VanDerWaalsContact C-N 3.32Å; F148-G150 PolarHBondContact O-N 2.95Å; G150-K154 WeakPolarHBondContact O-CA 3.49Å; G150-K154 PolarHBondContact O-N 3.23Å |
| 151 | F | 82.8 | Confident | 79.1 | Confident | 168 Ų | 168 | 61.3 Ų | 61.3 | 74% | 0.737 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -78.6 | -48 | -179.9 | -170.9 | -100.6 | 0 | 0 | 0 | 113.1 | V147 F148 E149 | V147-F151 PolarHBondContact O-N 3.05Å; F148-F151 PolarHBondContact O-N 3.32Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 2.97Å |
| 152 | L | 78.4 | Confident | 79.3 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -82.5 | -38.9 | -173 | -68.5 | 174.8 | 0 | 0 | 0 | 113.7 | F148 A202 F203 Q206 | F148-L152 HydrophobicContact CD1-CD1 4.44Å; F148-L152 VanDerWaalsContact O-CB 3.28Å; F148-L152 WeakPolarHBondContact O-CB 3.22Å; F148-L152 WeakPolarHBondContact O-CG 3.49Å; F148-L152 PolarHBondContact O-N 3.26Å; L152-A202 HydrophobicContact CD1-CB 3.91Å; L152-F203 HydrophobicContact CD1-CD1 4.26Å; L152-F203 HydrophobicContact CD1-CD2 4.23Å; L152-F203 HydrophobicContact CD1-CE1 4.14Å; L152-F203 HydrophobicContact CD1-CE2 4.08Å; L152-F203 HydrophobicContact CD1-CG 4.3Å; L152-F203 HydrophobicContact CD1-CZ 4.04Å; L152-F203 HydrophobicContact CD2-CE1 4.24Å; L152-F203 HydrophobicContact CD2-CZ 4.23Å; L152-Q206 PolarHBondContact O-NE2 3.32Å |
| 153 | L | 74.5 | Confident | 79.5 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -100.7 | -2.5 | -178.3 | -73.4 | 62.5 | 0 | 0 | 0 | 111.5 | E149 K155 K205 Q206 E209 | E149-L153 WeakPolarHBondContact O-CA 3.39Å; E149-L153 VanDerWaalsContact O-CB 3.32Å; E149-L153 WeakPolarHBondContact O-CB 3.43Å; E149-L153 PolarHBondContact O-N 3.14Å; L153-K155 HydrophobicContact CB-CB 4.35Å; L153-K155 PolarHBondContact O-N 3.26Å; L153-K155 VanDerWaalsContact O-N 3.09Å; L153-K205 HydrophobicContact CD2-CB 4.34Å; L153-K205 HydrophobicContact CD2-CD 3.99Å; L153-K205 HydrophobicContact CD2-CG 4.02Å; L153-Q206 HydrophobicContact CD1-CB 3.72Å; L153-Q206 HydrophobicContact CD1-CG 4.17Å; L153-Q206 HydrophobicContact CG-CB 4.4Å; L153-E209 WeakPolarHBondContact CD2-OE2 3.49Å |
| 154 | K | 76.8 | Confident | 79.6 | Confident | 182 Ų | 182 | 66.2 Ų | 66.2 | 79% | 0.791 | 35% | 0.353 | S | S | * | . | trans | 51.4 | 29.9 | -173.7 | -63.6 | -174.2 | 179.1 | -179.6 | 0 | 112.9 | E149 G150 | E149-K154 PolarHBondContact O-N 3.32Å; G150-K154 WeakPolarHBondContact O-CA 3.49Å; G150-K154 PolarHBondContact O-N 3.23Å | ||
| 155 | K | 72.7 | Confident | 79.6 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 132.4 | -175.7 | -167.5 | 171.7 | -173 | 165.3 | 0 | 110.5 | L153 F157 | L153-K155 HydrophobicContact CB-CB 4.35Å; L153-K155 PolarHBondContact O-N 3.26Å; L153-K155 VanDerWaalsContact O-N 3.09Å; K155-F157 HydrophobicContact CD-CE1 4.47Å; K155-F157 HydrophobicContact CD-CZ 4.37Å |
| 156 | T | 72.6 | Confident | 79.8 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 82% | 0.822 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 128 | 173.1 | 55 | 0 | 0 | 0 | 0 | 109.9 | ||
| 157 | F | 75.3 | Confident | 80.2 | Confident | 33 Ų | 33 | 71 Ų | 71 | 15% | 0.145 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 141.6 | 174.9 | -62.4 | -87 | 0 | 0 | 0 | 110.1 | M146 E149 K155 I161 K162 | M146-F157 HydrophobicContact CB-CE2 4.36Å; M146-F157 HydrophobicContact CE-CD1 4.37Å; M146-F157 HydrophobicContact CE-CG 4.32Å; M146-F157 HydrophobicContact CG-CD1 4.3Å; M146-F157 HydrophobicContact CG-CD2 3.43Å; M146-F157 VanDerWaalsContact CG-CD2 3.43Å; M146-F157 HydrophobicContact CG-CE1 4.32Å; M146-F157 HydrophobicContact CG-CE2 3.46Å; M146-F157 VanDerWaalsContact CG-CE2 3.46Å; M146-F157 HydrophobicContact CG-CG 3.87Å; M146-F157 HydrophobicContact CG-CZ 3.92Å; M146-F157 WeakPolarHBondContact O-CE2 3.35Å; M146-F157 HydrophobicContact SD-CB 4.43Å; M146-F157 HydrophobicContact SD-CD2 4.23Å; M146-F157 HydrophobicContact SD-CG 4.25Å; E149-F157 HydrophobicContact CB-CE2 4.15Å; E149-F157 HydrophobicContact CB-CZ 3.83Å; E149-F157 WeakPolarHBondContact OE2-CZ 3.41Å; K155-F157 HydrophobicContact CD-CE1 4.47Å; K155-F157 HydrophobicContact CD-CZ 4.37Å; F157-I161 HydrophobicContact CD1-CG2 4.38Å; F157-K162 HydrophobicContact CB-CG 4.49Å; F157-K162 WeakPolarHBondContact O-CE 3.18Å |
| 158 | S | 82.1 | Confident | 80.2 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 147.7 | 173.9 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | S160 I161 K162 Q333 | S158-S160 PolarHBondContact O-N 3.36Å; S158-S160 PolarHBondContact OG-N 3.49Å; S158-I161 WeakPolarHBondContact O-CB 3.33Å; S158-I161 PolarHBondContact O-N 3.19Å; S158-K162 PolarHBondContact O-N 3.08Å; S158-K162 VanDerWaalsContact O-N 3.15Å; S158-Q333 PolarHBondContact OG-NE2 3.01Å; S158-Q333 VanDerWaalsContact OG-NE2 3.09Å |
| 159 | A | 80.9 | Confident | 80.3 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 59% | 0.587 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -53.9 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I161 K162 M163 | A159-I161 VanDerWaalsContact C-N 3.33Å; A159-I161 PolarHBondContact O-N 3.27Å; A159-K162 PolarHBondContact O-N 3.14Å; A159-M163 WeakPolarHBondContact O-CG 3.32Å; A159-M163 PolarHBondContact O-N 3.41Å |
| 160 | S | 78.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 177.5 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | S158 M163 T164 | S158-S160 PolarHBondContact O-N 3.36Å; S158-S160 PolarHBondContact OG-N 3.49Å; S160-M163 PolarHBondContact O-N 3.5Å; S160-T164 PolarHBondContact O-N 2.94Å; S160-T164 PolarHBondContact O-OG1 2.71Å |
| 161 | I | 79.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68 | -44.7 | 176.5 | -60.1 | -175.9 | 0 | 0 | 0 | 109.9 | M146 F157 S158 A159 M163 T164 V165 Y326 I329 | M146-I161 HydrophobicContact CE-CB 4.5Å; M146-I161 HydrophobicContact CE-CG2 3.42Å; M146-I161 VanDerWaalsContact CE-CG2 3.42Å; F157-I161 HydrophobicContact CD1-CG2 4.38Å; S158-I161 WeakPolarHBondContact O-CB 3.33Å; S158-I161 PolarHBondContact O-N 3.19Å; A159-I161 VanDerWaalsContact C-N 3.33Å; A159-I161 PolarHBondContact O-N 3.27Å; I161-M163 VanDerWaalsContact C-N 3.31Å; I161-M163 PolarHBondContact O-N 3.15Å; I161-T164 PolarHBondContact O-N 2.99Å; I161-T164 PolarHBondContact O-OG1 3.47Å; I161-V165 PolarHBondContact O-N 3.31Å; I161-V165 VanDerWaalsContact O-N 3.09Å; I161-Y326 HydrophobicContact CG2-CD2 3.82Å; I161-Y326 HydrophobicContact CG2-CE2 3.37Å; I161-I329 HydrophobicContact CG1-CG2 3.87Å |
| 162 | K | 84 | Confident | 80.8 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 177 | -64.7 | 178.9 | -177 | 176.6 | 0 | 111.7 | M146 F157 S158 A159 V165 F166 | M146-K162 HydrophobicContact SD-CG 4.31Å; F157-K162 HydrophobicContact CB-CG 4.49Å; F157-K162 WeakPolarHBondContact O-CE 3.18Å; S158-K162 PolarHBondContact O-N 3.08Å; S158-K162 VanDerWaalsContact O-N 3.15Å; A159-K162 PolarHBondContact O-N 3.14Å; K162-V165 PolarHBondContact O-N 2.89Å; K162-F166 WeakPolarHBondContact O-CB 3.31Å; K162-F166 PolarHBondContact O-N 3.42Å |
| 163 | M | 84.5 | Confident | 81 | Confident | 123 Ų | 123 | 64.9 Ų | 64.9 | 61% | 0.606 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 177.6 | -72.1 | -57.1 | -65.4 | 0 | 0 | 112.1 | A159 S160 I161 V165 F166 T167 | A159-M163 WeakPolarHBondContact O-CG 3.32Å; A159-M163 PolarHBondContact O-N 3.41Å; S160-M163 PolarHBondContact O-N 3.5Å; I161-M163 VanDerWaalsContact C-N 3.31Å; I161-M163 PolarHBondContact O-N 3.15Å; M163-V165 PolarHBondContact O-N 2.89Å; M163-F166 WeakPolarHBondContact O-CB 3.41Å; M163-F166 PolarHBondContact O-N 3.3Å; M163-T167 PolarHBondContact O-N 2.91Å; M163-T167 PolarHBondContact O-OG1 2.88Å; M163-T167 VanDerWaalsContact O-OG1 3.07Å |
| 164 | T | 83.9 | Confident | 81.4 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.043 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 114 | S160 I161 F166 T167 M168 V325 Y326 I329 | S160-T164 PolarHBondContact O-N 2.94Å; S160-T164 PolarHBondContact O-OG1 2.71Å; I161-T164 PolarHBondContact O-N 2.99Å; I161-T164 PolarHBondContact O-OG1 3.47Å; T164-F166 VanDerWaalsContact C-N 3.34Å; T164-T167 PolarHBondContact O-N 2.71Å; T164-M168 WeakPolarHBondContact O-CG 3.28Å; T164-M168 PolarHBondContact O-N 3.5Å; T164-V325 HydrophobicContact CG2-CB 4.06Å; T164-V325 HydrophobicContact CG2-CG1 3.59Å; T164-Y326 WeakPolarHBondContact OG1-CD2 3.39Å; T164-I329 HydrophobicContact CG2-CD1 3.58Å |
| 165 | V | 82.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110.8 | I142 F143 M146 I161 K162 M163 M168 I169 Y326 | I142-V165 HydrophobicContact CG2-CG2 4.23Å; F143-V165 HydrophobicContact CB-CG1 3.62Å; F143-V165 HydrophobicContact CD2-CG1 3.83Å; F143-V165 HydrophobicContact CG-CG1 4.22Å; M146-V165 HydrophobicContact CE-CB 4.03Å; M146-V165 HydrophobicContact CE-CG1 4.44Å; M146-V165 HydrophobicContact CE-CG2 3.42Å; M146-V165 VanDerWaalsContact CE-CG2 3.42Å; I161-V165 PolarHBondContact O-N 3.31Å; I161-V165 VanDerWaalsContact O-N 3.09Å; K162-V165 PolarHBondContact O-N 2.89Å; M163-V165 PolarHBondContact O-N 2.89Å; V165-M168 HydrophobicContact CG2-CE 4.25Å; V165-M168 WeakPolarHBondContact O-CB 3.34Å; V165-M168 PolarHBondContact O-N 2.95Å; V165-I169 HydrophobicContact CG1-CD1 4.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.41Å; V165-I169 PolarHBondContact O-N 3.43Å; V165-Y326 HydrophobicContact CG2-CD2 3.69Å; V165-Y326 HydrophobicContact CG2-CE2 3.71Å |
| 166 | F | 85.6 | Confident | 81.6 | Confident | 132 Ų | 132 | 52.8 Ų | 52.8 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 172.4 | -169.8 | -97.7 | 0 | 0 | 0 | 111.9 | K162 M163 T164 M168 I169 F170 | K162-F166 WeakPolarHBondContact O-CB 3.31Å; K162-F166 PolarHBondContact O-N 3.42Å; M163-F166 WeakPolarHBondContact O-CB 3.41Å; M163-F166 PolarHBondContact O-N 3.3Å; T164-F166 VanDerWaalsContact C-N 3.34Å; F166-M168 VanDerWaalsContact C-N 3.32Å; F166-M168 PolarHBondContact O-N 3.06Å; F166-I169 PolarHBondContact O-N 3.26Å; F166-F170 WeakPolarHBondContact O-CB 3.3Å; F166-F170 PolarHBondContact O-N 3.01Å |
| 167 | T | 86.6 | Confident | 81.8 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 173.8 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | M163 T164 F170 G171 I318 | M163-T167 PolarHBondContact O-N 2.91Å; M163-T167 PolarHBondContact O-OG1 2.88Å; M163-T167 VanDerWaalsContact O-OG1 3.07Å; T164-T167 PolarHBondContact O-N 2.71Å; T167-F170 PolarHBondContact O-N 3.38Å; T167-G171 PolarHBondContact O-N 2.96Å; T167-I318 HydrophobicContact CG2-CG2 4.15Å |
| 168 | M | 83.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.1 | -75.3 | -171.4 | -116.3 | 0 | 0 | 112.6 | I142 T164 V165 F166 A172 S319 S323 Y326 | I142-M168 HydrophobicContact CD1-SD 4.01Å; T164-M168 WeakPolarHBondContact O-CG 3.28Å; T164-M168 PolarHBondContact O-N 3.5Å; V165-M168 HydrophobicContact CG2-CE 4.25Å; V165-M168 WeakPolarHBondContact O-CB 3.34Å; V165-M168 PolarHBondContact O-N 2.95Å; F166-M168 VanDerWaalsContact C-N 3.32Å; F166-M168 PolarHBondContact O-N 3.06Å; M168-A172 WeakPolarHBondContact O-CB 3.4Å; M168-A172 PolarHBondContact O-N 2.91Å; M168-A172 VanDerWaalsContact O-N 3.07Å; M168-S319 PolarHBondContact O-OG 3.25Å; M168-S323 VanDerWaalsContact SD-CA 3.59Å; M168-Y326 HydrophobicContact CE-CD1 4.2Å; M168-Y326 HydrophobicContact CE-CD2 3.9Å; M168-Y326 HydrophobicContact CE-CG 3.52Å |
| 169 | I | 85 | Confident | 81.2 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.128 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.9 | -69.7 | 168.8 | 0 | 0 | 0 | 110.6 | F140 F143 V165 F166 G171 A172 F173 | F140-I169 HydrophobicContact CD1-CG1 4.25Å; F140-I169 HydrophobicContact CD1-CG2 4.3Å; F140-I169 HydrophobicContact CE1-CB 4.41Å; F140-I169 HydrophobicContact CE1-CG1 4.26Å; F140-I169 HydrophobicContact CE1-CG2 3.49Å; F140-I169 VanDerWaalsContact CE1-CG2 3.49Å; F140-I169 HydrophobicContact CE2-CG2 4.48Å; F140-I169 HydrophobicContact CZ-CG2 3.61Å; F143-I169 HydrophobicContact CB-CD1 3.39Å; F143-I169 HydrophobicContact CB-CG1 4.08Å; F143-I169 HydrophobicContact CD1-CD1 3.9Å; F143-I169 HydrophobicContact CD2-CD1 3.51Å; F143-I169 HydrophobicContact CE2-CD1 4.23Å; F143-I169 HydrophobicContact CG-CD1 3.3Å; F143-I169 HydrophobicContact CG-CG1 4.45Å; V165-I169 HydrophobicContact CG1-CD1 4.3Å; V165-I169 WeakPolarHBondContact O-CG1 3.41Å; V165-I169 PolarHBondContact O-N 3.43Å; F166-I169 PolarHBondContact O-N 3.26Å; I169-G171 PolarHBondContact O-N 3.24Å; I169-A172 CarbonylContact O-C 3.56Å; I169-A172 WeakPolarHBondContact O-CA 3.15Å; I169-A172 WeakPolarHBondContact O-CB 3.39Å; I169-A172 PolarHBondContact O-N 3.39Å; I169-A172 VanDerWaalsContact O-N 3.09Å; I169-F173 PolarHBondContact O-N 3.24Å |
| 170 | F | 85.1 | Confident | 80.2 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 179.9 | -177.2 | -107.2 | 0 | 0 | 0 | 111.7 | F166 T167 A172 F173 I174 | F166-F170 WeakPolarHBondContact O-CB 3.3Å; F166-F170 PolarHBondContact O-N 3.01Å; T167-F170 PolarHBondContact O-N 3.38Å; F170-A172 VanDerWaalsContact C-N 3.26Å; F170-A172 PolarHBondContact O-N 3.44Å; F170-F173 PolarHBondContact O-N 3.25Å; F170-I174 HydrophobicContact CD1-CD1 3.8Å; F170-I174 HydrophobicContact CE1-CD1 3.34Å; F170-I174 HydrophobicContact CE1-CG1 4.37Å; F170-I174 HydrophobicContact CE2-CD1 4.37Å; F170-I174 HydrophobicContact CZ-CD1 3.66Å; F170-I174 HydrophobicContact CZ-CG1 4.37Å; F170-I174 WeakPolarHBondContact O-CG1 3.4Å; F170-I174 PolarHBondContact O-N 3.22Å |
| 171 | G | 82.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -36.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T167 I169 A175 G315 | T167-G171 PolarHBondContact O-N 2.96Å; I169-G171 PolarHBondContact O-N 3.24Å; G171-A175 WeakPolarHBondContact O-CB 3.1Å; G171-A175 PolarHBondContact O-N 3.48Å; G171-G315 CarbonylContact C-O 3.29Å; G171-G315 WeakPolarHBondContact CA-O 3.46Å; G171-G315 CarbonylContact O-C 3.33Å; G171-G315 VanDerWaalsContact O-C 3.24Å; G171-G315 WeakPolarHBondContact O-CA 3.49Å; G171-G315 VanDerWaalsContact O-O 3.13Å |
| 172 | A | 81.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V136 F140 M168 I169 F170 A175 A176 | V136-A172 HydrophobicContact CG1-CB 3.32Å; F140-A172 HydrophobicContact CD2-CB 4.13Å; F140-A172 HydrophobicContact CE2-CB 3.63Å; M168-A172 WeakPolarHBondContact O-CB 3.4Å; M168-A172 PolarHBondContact O-N 2.91Å; M168-A172 VanDerWaalsContact O-N 3.07Å; I169-A172 CarbonylContact O-C 3.56Å; I169-A172 WeakPolarHBondContact O-CA 3.15Å; I169-A172 WeakPolarHBondContact O-CB 3.39Å; I169-A172 PolarHBondContact O-N 3.39Å; I169-A172 VanDerWaalsContact O-N 3.09Å; F170-A172 VanDerWaalsContact C-N 3.26Å; F170-A172 PolarHBondContact O-N 3.44Å; A172-A175 PolarHBondContact O-N 3.09Å; A172-A176 WeakPolarHBondContact O-CB 3.33Å; A172-A176 PolarHBondContact O-N 3.03Å |
| 173 | F | 83.2 | Confident | 78.4 | Confident | 135 Ų | 135 | 51.5 Ų | 51.5 | 59% | 0.592 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.3 | -43.5 | 176 | -173.1 | -98 | 0 | 0 | 0 | 111.8 | I169 F170 A175 A176 S177 | I169-F173 PolarHBondContact O-N 3.24Å; F170-F173 PolarHBondContact O-N 3.25Å; F173-A175 VanDerWaalsContact C-N 3.3Å; F173-A175 PolarHBondContact O-N 2.96Å; F173-A176 PolarHBondContact O-N 3.29Å; F173-S177 WeakPolarHBondContact O-CB 3.45Å; F173-S177 PolarHBondContact O-N 2.98Å; F173-S177 PolarHBondContact O-OG 3.38Å |
| 174 | I | 83.1 | Confident | 78 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 173.7 | -68.5 | 170.9 | 0 | 0 | 0 | 110.2 | F170 A176 S177 A178 I318 | F170-I174 HydrophobicContact CD1-CD1 3.8Å; F170-I174 HydrophobicContact CE1-CD1 3.34Å; F170-I174 HydrophobicContact CE1-CG1 4.37Å; F170-I174 HydrophobicContact CE2-CD1 4.37Å; F170-I174 HydrophobicContact CZ-CD1 3.66Å; F170-I174 HydrophobicContact CZ-CG1 4.37Å; F170-I174 WeakPolarHBondContact O-CG1 3.4Å; F170-I174 PolarHBondContact O-N 3.22Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.44Å; I174-S177 PolarHBondContact O-N 2.94Å; I174-S177 PolarHBondContact O-OG 3.47Å; I174-A178 PolarHBondContact O-N 3.35Å; I174-I318 HydrophobicContact CD1-CD1 4.09Å |
| 175 | A | 77.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M133 V136 G171 A172 F173 A178 D179 N312 | M133-A175 HydrophobicContact SD-CB 4.26Å; V136-A175 HydrophobicContact CG1-CB 4.1Å; G171-A175 WeakPolarHBondContact O-CB 3.1Å; G171-A175 PolarHBondContact O-N 3.48Å; A172-A175 PolarHBondContact O-N 3.09Å; F173-A175 VanDerWaalsContact C-N 3.3Å; F173-A175 PolarHBondContact O-N 2.96Å; A175-A178 PolarHBondContact O-N 2.79Å; A175-D179 PolarHBondContact O-N 3.46Å; A175-N312 PolarHBondContact O-ND2 2.96Å |
| 176 | A | 75.5 | Confident | 77 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | M133 A172 F173 I174 A178 D179 Y187 | M133-A176 HydrophobicContact CE-CB 3.87Å; A172-A176 WeakPolarHBondContact O-CB 3.33Å; A172-A176 PolarHBondContact O-N 3.03Å; F173-A176 PolarHBondContact O-N 3.29Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-A176 PolarHBondContact O-N 3.44Å; A176-A178 PolarHBondContact O-N 2.89Å; A176-D179 WeakPolarHBondContact O-CB 3.13Å; A176-D179 PolarHBondContact O-N 3.16Å; A176-D179 VanDerWaalsContact O-N 3.16Å; A176-Y187 HydrophobicContact CB-CE1 3.95Å |
| 177 | S | 76 | Confident | 76.7 | Confident | 85 Ų | 85 | 50 Ų | 50 | 59% | 0.594 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.9 | -21.7 | -178.9 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | F173 I174 | F173-S177 WeakPolarHBondContact O-CB 3.45Å; F173-S177 PolarHBondContact O-N 2.98Å; F173-S177 PolarHBondContact O-OG 3.38Å; I174-S177 PolarHBondContact O-N 2.94Å; I174-S177 PolarHBondContact O-OG 3.47Å |
| 178 | A | 73.6 | Confident | 76.5 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 18.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I174 A175 A176 L180 T309 L311 | I174-A178 PolarHBondContact O-N 3.35Å; A175-A178 PolarHBondContact O-N 2.79Å; A176-A178 PolarHBondContact O-N 2.89Å; A178-L180 PolarHBondContact O-N 3.18Å; A178-T309 HydrophobicContact CB-CG2 4.27Å; A178-L311 HydrophobicContact CB-CB 3.43Å; A178-L311 VanDerWaalsContact CB-CB 3.43Å; A178-L311 HydrophobicContact CB-CD1 4.22Å; A178-L311 HydrophobicContact CB-CG 4.48Å |
| 179 | D | 71.4 | Confident | 76.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | trans | -80.6 | 108.4 | 176.5 | -172.8 | 19.2 | 0 | 0 | 0 | 110.4 | M133 A175 A176 A181 Y187 | M133-D179 HydrophobicContact CE-CB 4.06Å; M133-D179 HydrophobicContact CG-CB 4.39Å; M133-D179 WeakPolarHBondContact CG-OD2 3.28Å; M133-D179 HydrophobicContact SD-CB 4.38Å; A175-D179 PolarHBondContact O-N 3.46Å; A176-D179 WeakPolarHBondContact O-CB 3.13Å; A176-D179 PolarHBondContact O-N 3.16Å; A176-D179 VanDerWaalsContact O-N 3.16Å; D179-A181 PolarHBondContact O-N 3.14Å; D179-A181 PolarHBondContact OD1-N 3.4Å; D179-Y187 WeakPolarHBondContact CB-OH 3.45Å; D179-Y187 PolarHBondContact OD2-OH 2.81Å | ||
| 180 | L | 60.8 | Low | 75.9 | Confident | 126 Ų | 126 | 53.8 Ų | 53.8 | 66% | 0.66 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.7 | 178.1 | -75.5 | 156 | 0 | 0 | 0 | 112.5 | A178 F182 I307 T309 | A178-L180 PolarHBondContact O-N 3.18Å; L180-F182 VanDerWaalsContact C-N 3.32Å; L180-I307 HydrophobicContact CB-CD1 4.5Å; L180-I307 HydrophobicContact CD1-CG2 3.91Å; L180-T309 WeakPolarHBondContact CD1-OG1 3.37Å |
| 181 | A | 63.9 | Low | 75.9 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 33.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | N130 D179 D183 | N130-A181 WeakPolarHBondContact ND2-CB 3.32Å; D179-A181 PolarHBondContact O-N 3.14Å; D179-A181 PolarHBondContact OD1-N 3.4Å; A181-D183 PolarHBondContact O-N 3.32Å; A181-D183 VanDerWaalsContact O-N 3.15Å |
| 182 | F | 65.3 | Low | 75.9 | Confident | 115 Ų | 115 | 55.7 Ų | 55.7 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | trans | -64.4 | 112.8 | -174.9 | -179.4 | -100.3 | 0 | 0 | 0 | 112.2 | L180 L184 Y187 | L180-F182 VanDerWaalsContact C-N 3.32Å; F182-L184 HydrophobicContact CE1-CB 3.93Å; F182-L184 HydrophobicContact CE1-CD1 4.28Å; F182-L184 HydrophobicContact CZ-CB 4.16Å; F182-L184 HydrophobicContact CZ-CD1 3.83Å; F182-Y187 HydrophobicContact CD2-CD1 4.48Å; F182-Y187 HydrophobicContact CD2-CD2 4.07Å; F182-Y187 HydrophobicContact CD2-CE1 4.17Å; F182-Y187 AromaticContact CD2-CE2 3.75Å; F182-Y187 HydrophobicContact CD2-CE2 3.75Å; F182-Y187 HydrophobicContact CD2-CG 4.41Å; F182-Y187 AromaticContact CD2-CZ 3.78Å; F182-Y187 AromaticContact CE2-CD1 4Å; F182-Y187 HydrophobicContact CE2-CD1 4Å; F182-Y187 HydrophobicContact CE2-CD2 4.07Å; F182-Y187 HydrophobicContact CE2-CE1 4.07Å; F182-Y187 HydrophobicContact CE2-CE2 4.15Å; F182-Y187 AromaticContact CE2-CG 3.98Å; F182-Y187 HydrophobicContact CE2-CG 3.98Å | ||
| 183 | D | 74.6 | Confident | 76 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | trans | -114.3 | 105.5 | 169.1 | -174.9 | -16.4 | 0 | 0 | 0 | 109.6 | R128 A181 E185 G186 Y187 | R128-D183 IonicContact NH1-OD2 3.91Å; A181-D183 PolarHBondContact O-N 3.32Å; A181-D183 VanDerWaalsContact O-N 3.15Å; D183-E185 PolarHBondContact O-N 3.08Å; D183-E185 WeakPolarHBondContact OD1-CB 3.2Å; D183-E185 PolarHBondContact OD1-N 3.22Å; D183-G186 PolarHBondContact O-N 3.37Å; D183-G186 VanDerWaalsContact O-N 3.12Å; D183-G186 PolarHBondContact OD1-N 3Å; D183-Y187 WeakPolarHBondContact O-CD2 3.43Å; D183-Y187 PolarHBondContact O-N 2.87Å | ||
| 184 | L | 76.5 | Confident | 76 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55 | -37.6 | -178.8 | -177.4 | 66.6 | 0 | 0 | 0 | 112.3 | F182 Y187 I188 | F182-L184 HydrophobicContact CE1-CB 3.93Å; F182-L184 HydrophobicContact CE1-CD1 4.28Å; F182-L184 HydrophobicContact CZ-CB 4.16Å; F182-L184 HydrophobicContact CZ-CD1 3.83Å; L184-Y187 PolarHBondContact O-N 3.32Å; L184-I188 HydrophobicContact CD1-CD1 4.49Å; L184-I188 HydrophobicContact CG-CD1 4.14Å; L184-I188 WeakPolarHBondContact O-CG1 3.42Å; L184-I188 PolarHBondContact O-N 3.11Å |
| 185 | E | 72.9 | Confident | 76.2 | Confident | 100 Ų | 100 | 51.4 Ų | 51.4 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | -179.2 | -160.1 | -176.3 | 166.9 | 0 | 0 | 110.1 | D183 Y187 I188 F189 | D183-E185 PolarHBondContact O-N 3.08Å; D183-E185 WeakPolarHBondContact OD1-CB 3.2Å; D183-E185 PolarHBondContact OD1-N 3.22Å; E185-Y187 VanDerWaalsContact C-N 3.32Å; E185-Y187 PolarHBondContact O-N 2.93Å; E185-I188 PolarHBondContact O-N 3.4Å; E185-F189 HydrophobicContact CG-CD2 4.03Å; E185-F189 HydrophobicContact CG-CE2 3.63Å; E185-F189 WeakPolarHBondContact O-CD2 3.21Å; E185-F189 PolarHBondContact O-N 3.42Å |
| 186 | G | 72.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | D183 F189 I190 | D183-G186 PolarHBondContact O-N 3.37Å; D183-G186 VanDerWaalsContact O-N 3.12Å; D183-G186 PolarHBondContact OD1-N 3Å; G186-F189 PolarHBondContact O-N 3.35Å; G186-I190 WeakPolarHBondContact O-CG2 3.49Å; G186-I190 PolarHBondContact O-N 2.98Å |
| 187 | Y | 79.8 | Confident | 76.2 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 177.6 | -88 | -114.3 | 0 | 0 | 0 | 113 | L129 M133 L137 A176 D179 F182 D183 L184 E185 I190 M191 | L129-Y187 HydrophobicContact CD2-CD2 3.46Å; L129-Y187 VanDerWaalsContact CD2-CD2 3.46Å; L129-Y187 HydrophobicContact CD2-CE2 3.58Å; M133-Y187 WeakPolarHBondContact CE-OH 3.13Å; L137-Y187 HydrophobicContact CD1-CD1 3.69Å; L137-Y187 HydrophobicContact CD1-CD2 4.28Å; L137-Y187 HydrophobicContact CD1-CE1 3.54Å; L137-Y187 HydrophobicContact CD1-CE2 4.16Å; L137-Y187 HydrophobicContact CD1-CG 4.08Å; L137-Y187 HydrophobicContact CD2-CD1 4.17Å; L137-Y187 HydrophobicContact CD2-CE1 3.95Å; L137-Y187 HydrophobicContact CG-CE1 4.32Å; A176-Y187 HydrophobicContact CB-CE1 3.95Å; D179-Y187 WeakPolarHBondContact CB-OH 3.45Å; D179-Y187 PolarHBondContact OD2-OH 2.81Å; F182-Y187 HydrophobicContact CD2-CD1 4.48Å; F182-Y187 HydrophobicContact CD2-CD2 4.07Å; F182-Y187 HydrophobicContact CD2-CE1 4.17Å; F182-Y187 AromaticContact CD2-CE2 3.75Å; F182-Y187 HydrophobicContact CD2-CE2 3.75Å; F182-Y187 HydrophobicContact CD2-CG 4.41Å; F182-Y187 AromaticContact CD2-CZ 3.78Å; F182-Y187 AromaticContact CE2-CD1 4Å; F182-Y187 HydrophobicContact CE2-CD1 4Å; F182-Y187 HydrophobicContact CE2-CD2 4.07Å; F182-Y187 HydrophobicContact CE2-CE1 4.07Å; F182-Y187 HydrophobicContact CE2-CE2 4.15Å; F182-Y187 AromaticContact CE2-CG 3.98Å; F182-Y187 HydrophobicContact CE2-CG 3.98Å; D183-Y187 WeakPolarHBondContact O-CD2 3.43Å; D183-Y187 PolarHBondContact O-N 2.87Å; L184-Y187 PolarHBondContact O-N 3.32Å; E185-Y187 VanDerWaalsContact C-N 3.32Å; E185-Y187 PolarHBondContact O-N 2.93Å; Y187-I190 VanDerWaalsContact O-CG2 3.25Å; Y187-I190 WeakPolarHBondContact O-CG2 3.41Å; Y187-M191 WeakPolarHBondContact O-CB 3.27Å; Y187-M191 WeakPolarHBondContact O-CG 3.42Å; Y187-M191 PolarHBondContact O-N 3.4Å |
| 188 | I | 81.5 | Confident | 76.3 | Confident | 105 Ų | 105 | 49.9 Ų | 49.9 | 54% | 0.538 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 174.6 | -69 | 166.6 | 0 | 0 | 0 | 110 | L184 E185 I190 M191 L192 | L184-I188 HydrophobicContact CD1-CD1 4.49Å; L184-I188 HydrophobicContact CG-CD1 4.14Å; L184-I188 WeakPolarHBondContact O-CG1 3.42Å; L184-I188 PolarHBondContact O-N 3.11Å; E185-I188 PolarHBondContact O-N 3.4Å; I188-I190 PolarHBondContact O-N 3.15Å; I188-M191 PolarHBondContact O-N 3.46Å; I188-L192 WeakPolarHBondContact O-CB 3.45Å; I188-L192 PolarHBondContact O-N 3Å |
| 189 | F | 76.6 | Confident | 76.7 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 25% | 0.25 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 178.8 | -79.2 | -58 | 0 | 0 | 0 | 112.8 | F124 E185 G186 L192 N193 | F124-F189 HydrophobicContact CB-CD1 4.39Å; F124-F189 HydrophobicContact CB-CD2 4.22Å; F124-F189 HydrophobicContact CB-CG 4.16Å; E185-F189 HydrophobicContact CG-CD2 4.03Å; E185-F189 HydrophobicContact CG-CE2 3.63Å; E185-F189 WeakPolarHBondContact O-CD2 3.21Å; E185-F189 PolarHBondContact O-N 3.42Å; G186-F189 PolarHBondContact O-N 3.35Å; F189-L192 PolarHBondContact O-N 3.17Å; F189-N193 VanDerWaalsContact O-CB 3.31Å; F189-N193 WeakPolarHBondContact O-CB 3.41Å; F189-N193 PolarHBondContact O-N 2.91Å |
| 190 | I | 80.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.8 | -32.8 | 177.1 | -167.3 | 59.4 | 0 | 0 | 0 | 112.2 | L129 F134 L137 G186 Y187 I188 N193 N194 | L129-I190 HydrophobicContact CD1-CB 3.79Å; L129-I190 HydrophobicContact CD1-CG1 4.32Å; L129-I190 HydrophobicContact CD1-CG2 3.64Å; F134-I190 HydrophobicContact CD2-CD1 3.57Å; F134-I190 HydrophobicContact CD2-CG1 4.29Å; F134-I190 HydrophobicContact CE2-CD1 3.42Å; F134-I190 VanDerWaalsContact CE2-CD1 3.42Å; F134-I190 HydrophobicContact CG-CD1 4.42Å; F134-I190 HydrophobicContact CZ-CD1 4.19Å; L137-I190 HydrophobicContact CB-CG1 3.97Å; L137-I190 HydrophobicContact CB-CG2 3.97Å; L137-I190 HydrophobicContact CD1-CG2 3.64Å; L137-I190 HydrophobicContact CG-CG2 4.38Å; G186-I190 WeakPolarHBondContact O-CG2 3.49Å; G186-I190 PolarHBondContact O-N 2.98Å; Y187-I190 VanDerWaalsContact O-CG2 3.25Å; Y187-I190 WeakPolarHBondContact O-CG2 3.41Å; I188-I190 PolarHBondContact O-N 3.15Å; I190-N193 HydrophobicContact CD1-CB 4.18Å; I190-N193 WeakPolarHBondContact O-CB 3.44Å; I190-N193 PolarHBondContact O-N 3.23Å; I190-N194 WeakPolarHBondContact O-CB 3.14Å; I190-N194 PolarHBondContact O-N 3.36Å; I190-N194 PolarHBondContact O-ND2 2.95Å; I190-N194 VanDerWaalsContact O-ND2 3.1Å |
| 191 | M | 83.4 | Confident | 77.3 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 173.4 | -77.9 | -60.5 | -162.7 | 0 | 0 | 111.8 | F140 Y187 I188 N193 N194 I195 | F140-M191 HydrophobicContact CB-CE 4.4Å; F140-M191 HydrophobicContact CB-SD 4.2Å; F140-M191 HydrophobicContact CD1-CE 3.9Å; F140-M191 HydrophobicContact CD2-CE 3.95Å; F140-M191 HydrophobicContact CE1-CE 4.05Å; F140-M191 HydrophobicContact CE2-CE 4.1Å; F140-M191 HydrophobicContact CG-CE 3.83Å; F140-M191 HydrophobicContact CG-SD 4.27Å; F140-M191 HydrophobicContact CZ-CE 4.14Å; Y187-M191 WeakPolarHBondContact O-CB 3.27Å; Y187-M191 WeakPolarHBondContact O-CG 3.42Å; Y187-M191 PolarHBondContact O-N 3.4Å; I188-M191 PolarHBondContact O-N 3.46Å; M191-N193 VanDerWaalsContact C-N 3.32Å; M191-N193 PolarHBondContact O-N 2.96Å; M191-N194 WeakPolarHBondContact O-CB 3.41Å; M191-N194 PolarHBondContact O-N 3.07Å; M191-I195 WeakPolarHBondContact O-CG1 3.47Å; M191-I195 PolarHBondContact O-N 3.37Å |
| 192 | L | 83.3 | Confident | 77.9 | Confident | 82 Ų | 82 | 42.2 Ų | 42.2 | 43% | 0.429 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 172.3 | -175.8 | 63.1 | 0 | 0 | 0 | 111.1 | I188 F189 N194 I195 L196 | I188-L192 WeakPolarHBondContact O-CB 3.45Å; I188-L192 PolarHBondContact O-N 3Å; F189-L192 PolarHBondContact O-N 3.17Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 3.29Å; L192-I195 PolarHBondContact O-N 2.85Å; L192-L196 HydrophobicContact CD1-CD1 4.3Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.22Å |
| 193 | N | 83.9 | Confident | 78.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.1 | -44.3 | 173 | -178.9 | -103.1 | 0 | 0 | 0 | 111.9 | N118 S121 G122 R138 F189 I190 M191 L196 T197 | N118-N193 PolarHBondContact O-ND2 3.35Å; N118-N193 PolarHBondContact OD1-ND2 3.46Å; N118-N193 PolarHBondContact OD1-O 3.43Å; S121-N193 WeakPolarHBondContact OG-CA 3.31Å; S121-N193 WeakPolarHBondContact OG-CB 3.36Å; S121-N193 PolarHBondContact OG-ND2 3.03Å; G122-N193 WeakPolarHBondContact CA-ND2 3.28Å; G122-N193 PolarHBondContact N-ND2 3.35Å; R138-N193 PolarHBondContact NH2-OD1 2.84Å; F189-N193 VanDerWaalsContact O-CB 3.31Å; F189-N193 WeakPolarHBondContact O-CB 3.41Å; F189-N193 PolarHBondContact O-N 2.91Å; I190-N193 HydrophobicContact CD1-CB 4.18Å; I190-N193 WeakPolarHBondContact O-CB 3.44Å; I190-N193 PolarHBondContact O-N 3.23Å; M191-N193 VanDerWaalsContact C-N 3.32Å; M191-N193 PolarHBondContact O-N 2.96Å; N193-L196 PolarHBondContact O-N 3.39Å; N193-T197 WeakPolarHBondContact O-CB 3.43Å; N193-T197 PolarHBondContact O-N 3.47Å; N193-T197 PolarHBondContact O-OG1 3.09Å |
| 194 | N | 83.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 179.8 | -71.2 | -30.3 | 0 | 0 | 0 | 112.9 | L137 R138 S141 L144 I190 M191 L192 A198 | L137-N194 PolarHBondContact O-ND2 3.46Å; R138-N194 WeakPolarHBondContact CA-OD1 3.3Å; S141-N194 PolarHBondContact OG-O 3.33Å; S141-N194 VanDerWaalsContact OG-O 3.11Å; L144-N194 HydrophobicContact CD1-CB 3.86Å; I190-N194 WeakPolarHBondContact O-CB 3.14Å; I190-N194 PolarHBondContact O-N 3.36Å; I190-N194 PolarHBondContact O-ND2 2.95Å; I190-N194 VanDerWaalsContact O-ND2 3.1Å; M191-N194 WeakPolarHBondContact O-CB 3.41Å; M191-N194 PolarHBondContact O-N 3.07Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 3.29Å; N194-A198 WeakPolarHBondContact O-CB 3.26Å; N194-A198 PolarHBondContact O-N 3.41Å |
| 195 | I | 85.8 | Confident | 77.9 | Confident | 74 Ų | 74 | 36.2 Ų | 36.2 | 38% | 0.379 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 175.1 | -66.8 | 166.5 | 0 | 0 | 0 | 110 | L144 F148 M191 L192 A198 A199 | L144-I195 HydrophobicContact CD1-CB 4.43Å; L144-I195 HydrophobicContact CD1-CG1 3.65Å; F148-I195 HydrophobicContact CE2-CG2 4.25Å; F148-I195 HydrophobicContact CZ-CG2 4.24Å; M191-I195 WeakPolarHBondContact O-CG1 3.47Å; M191-I195 PolarHBondContact O-N 3.37Å; L192-I195 PolarHBondContact O-N 2.85Å; I195-A198 PolarHBondContact O-N 3.47Å; I195-A199 WeakPolarHBondContact O-CB 3.35Å; I195-A199 PolarHBondContact O-N 2.81Å |
| 196 | L | 80.1 | Confident | 77.9 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.9 | -38.8 | -178.9 | -65.8 | 167 | 0 | 0 | 0 | 112 | L114 G117 N118 L192 N193 S200 | L114-L196 HydrophobicContact CD2-CD2 3.79Å; G117-L196 WeakPolarHBondContact O-CD1 3.32Å; N118-L196 HydrophobicContact CB-CB 4.08Å; L192-L196 HydrophobicContact CD1-CD1 4.3Å; L192-L196 HydrophobicContact CG-CD1 3.98Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 3.22Å; N193-L196 PolarHBondContact O-N 3.39Å; L196-S200 VanDerWaalsContact O-CB 3.3Å; L196-S200 WeakPolarHBondContact O-CB 3.36Å; L196-S200 PolarHBondContact O-N 2.93Å; L196-S200 PolarHBondContact O-OG 2.91Å |
| 197 | T | 75 | Confident | 77.8 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 171 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | N118 S141 N193 S200 G201 | N118-T197 PolarHBondContact ND2-OG1 2.87Å; N118-T197 PolarHBondContact OD1-OG1 3.35Å; S141-T197 WeakPolarHBondContact OG-CB 3.48Å; S141-T197 WeakPolarHBondContact OG-CG2 3.35Å; N193-T197 WeakPolarHBondContact O-CB 3.43Å; N193-T197 PolarHBondContact O-N 3.47Å; N193-T197 PolarHBondContact O-OG1 3.09Å; T197-S200 WeakPolarHBondContact CA-OG 3.18Å; T197-S200 PolarHBondContact O-OG 3.08Å; T197-G201 PolarHBondContact O-N 3.38Å |
| 198 | A | 78.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -44.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L144 T145 F148 N194 I195 G201 A202 | L144-A198 HydrophobicContact CB-CB 3.5Å; T145-A198 WeakPolarHBondContact OG1-CA 3.19Å; T145-A198 WeakPolarHBondContact OG1-CB 3.4Å; F148-A198 HydrophobicContact CD2-CB 3.75Å; F148-A198 HydrophobicContact CE2-CB 4.15Å; N194-A198 WeakPolarHBondContact O-CB 3.26Å; N194-A198 PolarHBondContact O-N 3.41Å; I195-A198 PolarHBondContact O-N 3.47Å; A198-G201 PolarHBondContact O-N 2.94Å; A198-A202 WeakPolarHBondContact O-CB 3.5Å; A198-A202 PolarHBondContact O-N 3.03Å |
| 199 | A | 80.4 | Confident | 76.5 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -51.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L114 F148 I195 G201 A202 F203 | L114-A199 HydrophobicContact CD1-CB 3.95Å; L114-A199 HydrophobicContact CD2-CB 4.11Å; F148-A199 HydrophobicContact CE1-CB 4.23Å; F148-A199 HydrophobicContact CE2-CB 4.25Å; F148-A199 HydrophobicContact CZ-CB 4.07Å; I195-A199 WeakPolarHBondContact O-CB 3.35Å; I195-A199 PolarHBondContact O-N 2.81Å; A199-G201 VanDerWaalsContact C-N 3.34Å; A199-G201 PolarHBondContact O-N 3.3Å; A199-A202 PolarHBondContact O-N 3.21Å; A199-F203 WeakPolarHBondContact O-CD2 3.27Å; A199-F203 PolarHBondContact O-N 2.71Å |
| 200 | S | 74.5 | Confident | 75.9 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59 | -44 | 179 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | L111 L196 T197 F203 V204 | L111-S200 WeakPolarHBondContact CD2-O 3.48Å; L196-S200 VanDerWaalsContact O-CB 3.3Å; L196-S200 WeakPolarHBondContact O-CB 3.36Å; L196-S200 PolarHBondContact O-N 2.93Å; L196-S200 PolarHBondContact O-OG 2.91Å; T197-S200 WeakPolarHBondContact CA-OG 3.18Å; T197-S200 PolarHBondContact O-OG 3.08Å; S200-F203 PolarHBondContact O-N 2.93Å; S200-V204 VanDerWaalsContact O-CG2 3.29Å; S200-V204 WeakPolarHBondContact O-CG2 3.5Å; S200-V204 PolarHBondContact O-N 3.27Å |
| 201 | G | 70.7 | Confident | 75 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T197 A198 A199 V204 K205 | T197-G201 PolarHBondContact O-N 3.38Å; A198-G201 PolarHBondContact O-N 2.94Å; A199-G201 VanDerWaalsContact C-N 3.34Å; A199-G201 PolarHBondContact O-N 3.3Å; G201-V204 PolarHBondContact O-N 3.09Å; G201-K205 PolarHBondContact O-N 3.28Å |
| 202 | A | 76.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F148 E149 L152 A198 A199 K205 Q206 | F148-A202 HydrophobicContact CB-CB 3.65Å; E149-A202 HydrophobicContact CG-CB 4.23Å; L152-A202 HydrophobicContact CD1-CB 3.91Å; A198-A202 WeakPolarHBondContact O-CB 3.5Å; A198-A202 PolarHBondContact O-N 3.03Å; A199-A202 PolarHBondContact O-N 3.21Å; A202-K205 PolarHBondContact O-N 3.5Å; A202-Q206 PolarHBondContact O-N 3.23Å |
| 203 | F | 75.5 | Confident | 72.6 | Confident | 49 Ų | 49 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.2 | -82.3 | -69 | 0 | 0 | 0 | 112.3 | P110 L111 L114 L152 A199 S200 K205 Q206 K207 | P110-F203 HydrophobicContact CG-CE2 4.34Å; P110-F203 HydrophobicContact CG-CZ 4.27Å; L111-F203 HydrophobicContact CD2-CB 3.42Å; L111-F203 VanDerWaalsContact CD2-CB 3.42Å; L111-F203 HydrophobicContact CD2-CG 4.5Å; L111-F203 HydrophobicContact CG-CB 4.13Å; L114-F203 HydrophobicContact CD1-CD2 3.54Å; L114-F203 HydrophobicContact CD1-CE2 3.92Å; L152-F203 HydrophobicContact CD1-CD1 4.26Å; L152-F203 HydrophobicContact CD1-CD2 4.23Å; L152-F203 HydrophobicContact CD1-CE1 4.14Å; L152-F203 HydrophobicContact CD1-CE2 4.08Å; L152-F203 HydrophobicContact CD1-CG 4.3Å; L152-F203 HydrophobicContact CD1-CZ 4.04Å; L152-F203 HydrophobicContact CD2-CE1 4.24Å; L152-F203 HydrophobicContact CD2-CZ 4.23Å; A199-F203 WeakPolarHBondContact O-CD2 3.27Å; A199-F203 PolarHBondContact O-N 2.71Å; S200-F203 PolarHBondContact O-N 2.93Å; F203-K205 VanDerWaalsContact C-N 3.29Å; F203-K205 PolarHBondContact O-N 3.33Å; F203-Q206 PolarHBondContact O-N 3.45Å; F203-K207 WeakPolarHBondContact O-CG 3.23Å; F203-K207 PolarHBondContact O-N 2.71Å |
| 204 | V | 71 | Confident | 71.4 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.2 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | L111 S200 G201 K207 L208 L218 | L111-V204 HydrophobicContact CD1-CG2 4.32Å; L111-V204 HydrophobicContact CD2-CG2 3.74Å; S200-V204 VanDerWaalsContact O-CG2 3.29Å; S200-V204 WeakPolarHBondContact O-CG2 3.5Å; S200-V204 PolarHBondContact O-N 3.27Å; G201-V204 PolarHBondContact O-N 3.09Å; V204-K207 PolarHBondContact O-N 3.43Å; V204-L208 PolarHBondContact O-N 2.87Å; V204-L218 HydrophobicContact CG1-CD2 3.9Å |
| 205 | K | 69.1 | Low | 70.3 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 179.7 | -161.7 | 178.5 | -167.7 | 170.9 | 0 | 112.6 | E149 L153 G201 A202 F203 K207 L208 E209 | E149-K205 HydrophobicContact CG-CD 4.27Å; E149-K205 WeakPolarHBondContact OE1-CD 2.95Å; E149-K205 IonicContact OE1-NZ 2.71Å; E149-K205 PolarHBondContact OE1-NZ 2.8Å; E149-K205 IonicContact OE2-NZ 2.71Å; E149-K205 PolarHBondContact OE2-NZ 2.96Å; L153-K205 HydrophobicContact CD2-CB 4.34Å; L153-K205 HydrophobicContact CD2-CD 3.99Å; L153-K205 HydrophobicContact CD2-CG 4.02Å; G201-K205 PolarHBondContact O-N 3.28Å; A202-K205 PolarHBondContact O-N 3.5Å; F203-K205 VanDerWaalsContact C-N 3.29Å; F203-K205 PolarHBondContact O-N 3.33Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 3.49Å; K205-L208 WeakPolarHBondContact O-CB 3.31Å; K205-L208 PolarHBondContact O-N 3.26Å; K205-L208 VanDerWaalsContact O-N 3.14Å; K205-E209 PolarHBondContact O-N 3.35Å |
| 206 | Q | 74.4 | Confident | 69.1 | Low | 66 Ų | 66 | 54.4 Ų | 54.4 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56 | -45.6 | 174.3 | -169.1 | -175.6 | 55.1 | 0 | 0 | 111.2 | L152 L153 A202 F203 E209 S210 | L152-Q206 PolarHBondContact O-NE2 3.32Å; L153-Q206 HydrophobicContact CD1-CB 3.72Å; L153-Q206 HydrophobicContact CD1-CG 4.17Å; L153-Q206 HydrophobicContact CG-CB 4.4Å; A202-Q206 PolarHBondContact O-N 3.23Å; F203-Q206 PolarHBondContact O-N 3.45Å; Q206-E209 PolarHBondContact O-N 2.88Å; Q206-S210 PolarHBondContact O-N 2.97Å |
| 207 | K | 70.2 | Confident | 68.2 | Low | 40 Ų | 40 | 53 Ų | 53 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 177.3 | -67.5 | -63.7 | -174.1 | 177.7 | 0 | 112.4 | K107 F203 V204 K205 S210 L218 | K107-K207 WeakPolarHBondContact O-CE 3.14Å; K107-K207 PolarHBondContact O-NZ 2.86Å; F203-K207 WeakPolarHBondContact O-CG 3.23Å; F203-K207 PolarHBondContact O-N 2.71Å; V204-K207 PolarHBondContact O-N 3.43Å; K205-K207 VanDerWaalsContact C-N 3.29Å; K205-K207 PolarHBondContact O-N 3.49Å; K207-S210 PolarHBondContact O-OG 3.02Å; K207-L218 HydrophobicContact CB-CD1 4.3Å |
| 208 | L | 66.1 | Low | 67.7 | Low | 73 Ų | 73 | 51.6 Ų | 51.6 | 38% | 0.382 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 175.7 | -171.6 | 65.7 | 0 | 0 | 0 | 112.5 | V204 K205 K211 K215 L218 | V204-L208 PolarHBondContact O-N 2.87Å; K205-L208 WeakPolarHBondContact O-CB 3.31Å; K205-L208 PolarHBondContact O-N 3.26Å; K205-L208 VanDerWaalsContact O-N 3.14Å; L208-K211 PolarHBondContact O-N 3.39Å; L208-K215 HydrophobicContact CD1-CG 3.77Å; L208-L218 HydrophobicContact CB-CD2 3.97Å; L208-L218 HydrophobicContact CD1-CD2 4.05Å |
| 209 | E | 66.5 | Low | 67 | Low | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.4 | -31.1 | 179.4 | -73.1 | -175.3 | 174.1 | 0 | 0 | 112.7 | L153 K205 Q206 K211 | L153-E209 WeakPolarHBondContact CD2-OE2 3.49Å; K205-E209 PolarHBondContact O-N 3.35Å; Q206-E209 PolarHBondContact O-N 2.88Å; E209-K211 PolarHBondContact O-N 2.95Å; E209-K211 VanDerWaalsContact O-N 3.08Å |
| 210 | S | 65 | Low | 66.3 | Low | 57 Ų | 57 | 54.5 Ų | 54.5 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -6.9 | 174.5 | 72.3 | 0 | 0 | 0 | 0 | 114.4 | Q206 K207 E212 | Q206-S210 PolarHBondContact O-N 2.97Å; K207-S210 PolarHBondContact O-OG 3.02Å; S210-E212 PolarHBondContact O-N 2.77Å; S210-E212 WeakPolarHBondContact OG-CG 3.23Å |
| 211 | K | 62.3 | Low | 65.8 | Low | 188 Ų | 188 | 54.5 Ų | 54.5 | 82% | 0.817 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 8.9 | -175.8 | -66.9 | -175.9 | 179.8 | 180 | 0 | 115.3 | L208 E209 L213 | L208-K211 PolarHBondContact O-N 3.39Å; E209-K211 PolarHBondContact O-N 2.95Å; E209-K211 VanDerWaalsContact O-N 3.08Å; K211-L213 VanDerWaalsContact C-N 3.34Å; K211-L213 PolarHBondContact O-N 2.95Å |
| 212 | E | 57.2 | Low | 65.7 | Low | 98 Ų | 98 | 54.4 Ų | 54.4 | 46% | 0.458 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -66.7 | -26.6 | -172 | -72.6 | -165.2 | 114.7 | 0 | 0 | 114.6 | K107 S210 | K107-E212 IonicContact NZ-OE1 2.74Å; K107-E212 PolarHBondContact NZ-OE1 2.68Å; S210-E212 PolarHBondContact O-N 2.77Å; S210-E212 WeakPolarHBondContact OG-CG 3.23Å |
| 213 | L | 57.4 | Low | 65.2 | Low | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -123.4 | -11.2 | -172.5 | -71.7 | 100.1 | 0 | 0 | 0 | 115.9 | I104 M108 K211 Y221 | I104-L213 HydrophobicContact CG2-CD2 3.5Å; M108-L213 HydrophobicContact CE-CD2 4.04Å; K211-L213 VanDerWaalsContact C-N 3.34Å; K211-L213 PolarHBondContact O-N 2.95Å; L213-Y221 HydrophobicContact CD2-CD2 3.96Å |
| 214 | G | 58.7 | Low | 64.8 | Low | 39 Ų | 39 | 54 Ų | 54 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | trans | 65.8 | 160.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y216 L218 | G214-Y216 PolarHBondContact O-N 3.48Å; G214-L218 WeakPolarHBondContact O-CB 3.39Å; G214-L218 PolarHBondContact O-N 2.73Å | ||
| 215 | K | 60.6 | Low | 64.5 | Low | 149 Ų | 149 | 53.2 Ų | 53.2 | 65% | 0.648 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | -175.1 | -76.5 | 175 | 179.3 | -179.9 | 0 | 113.5 | L208 L219 | L208-K215 HydrophobicContact CD1-CG 3.77Å; K215-L219 PolarHBondContact O-N 3.39Å |
| 216 | Y | 60.7 | Low | 64.4 | Low | 65 Ų | 65 | 52 Ų | 52 | 26% | 0.255 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -76.6 | -37.8 | -177.8 | -60.6 | -82.8 | 0 | 0 | 0 | 112.8 | I95 G214 L219 Y220 M273 Q277 | I95-Y216 HydrophobicContact CD1-CD1 4.47Å; I95-Y216 HydrophobicContact CD1-CE1 4.41Å; I95-Y216 HydrophobicContact CG2-CD1 3.55Å; I95-Y216 HydrophobicContact CG2-CD2 4.24Å; I95-Y216 HydrophobicContact CG2-CE1 4.01Å; I95-Y216 HydrophobicContact CG2-CG 3.67Å; G214-Y216 PolarHBondContact O-N 3.48Å; Y216-L219 PolarHBondContact O-N 2.98Å; Y216-Y220 WeakPolarHBondContact O-CB 3.23Å; Y216-Y220 PolarHBondContact O-N 2.83Å; Y216-M273 HydrophobicContact CD1-SD 4.07Å; Y216-M273 HydrophobicContact CE1-CE 4.43Å; Y216-M273 HydrophobicContact CE1-CG 4.41Å; Y216-M273 HydrophobicContact CE1-SD 3.4Å; Y216-M273 WeakPolarHBondContact CE1-SD 3.19Å; Y216-Q277 PolarHBondContact OH-NE2 3.16Å |
| 217 | G | 62.5 | Low | 64.2 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | L219 Y220 Y221 | G217-L219 VanDerWaalsContact C-N 3.32Å; G217-L219 PolarHBondContact O-N 2.71Å; G217-Y220 PolarHBondContact O-N 3.28Å; G217-Y221 VanDerWaalsContact C-CD2 3.47Å; G217-Y221 VanDerWaalsContact O-CB 3.24Å; G217-Y221 WeakPolarHBondContact O-CB 3.19Å; G217-Y221 WeakPolarHBondContact O-CD2 3.45Å; G217-Y221 PolarHBondContact O-N 3.1Å |
| 218 | L | 63.5 | Low | 64.1 | Low | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 179.3 | -168.3 | 65.1 | 0 | 0 | 0 | 112.7 | V204 K207 L208 G214 N222 | V204-L218 HydrophobicContact CG1-CD2 3.9Å; K207-L218 HydrophobicContact CB-CD1 4.3Å; L208-L218 HydrophobicContact CB-CD2 3.97Å; L208-L218 HydrophobicContact CD1-CD2 4.05Å; G214-L218 WeakPolarHBondContact O-CB 3.39Å; G214-L218 PolarHBondContact O-N 2.73Å; L218-N222 WeakPolarHBondContact O-CB 3.48Å; L218-N222 PolarHBondContact O-N 2.94Å |
| 219 | L | 63.8 | Low | 64 | Low | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 179.6 | -164.7 | 69.6 | 0 | 0 | 0 | 112.4 | K215 Y216 G217 A223 M269 | K215-L219 PolarHBondContact O-N 3.39Å; Y216-L219 PolarHBondContact O-N 2.98Å; G217-L219 VanDerWaalsContact C-N 3.32Å; G217-L219 PolarHBondContact O-N 2.71Å; L219-A223 PolarHBondContact O-N 2.91Å; L219-M269 HydrophobicContact CD1-CE 4.34Å; L219-M269 HydrophobicContact CD1-SD 4.03Å; L219-M269 HydrophobicContact CD2-SD 4.32Å |
| 220 | Y | 65.4 | Low | 64 | Low | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 177.9 | 178.3 | -98.7 | 0 | 0 | 0 | 111.6 | I83 L86 F97 Y216 G217 A223 L224 | I83-Y220 HydrophobicContact CG2-CE2 4.02Å; L86-Y220 HydrophobicContact CB-CD2 3.88Å; L86-Y220 HydrophobicContact CB-CE2 4.43Å; L86-Y220 HydrophobicContact CD1-CD2 4.48Å; F97-Y220 HydrophobicContact CD2-CD1 4.43Å; F97-Y220 HydrophobicContact CE1-CD2 4.46Å; F97-Y220 HydrophobicContact CE2-CD1 4.07Å; F97-Y220 AromaticContact CE2-CE1 3.99Å; F97-Y220 HydrophobicContact CE2-CE1 3.99Å; F97-Y220 HydrophobicContact CE2-CG 4.45Å; F97-Y220 HydrophobicContact CZ-CD1 4.35Å; F97-Y220 HydrophobicContact CZ-CD2 4.25Å; F97-Y220 HydrophobicContact CZ-CE1 4.23Å; F97-Y220 HydrophobicContact CZ-CE2 4.11Å; F97-Y220 HydrophobicContact CZ-CG 4.36Å; Y216-Y220 WeakPolarHBondContact O-CB 3.23Å; Y216-Y220 PolarHBondContact O-N 2.83Å; G217-Y220 PolarHBondContact O-N 3.28Å; Y220-A223 PolarHBondContact O-N 3.44Å; Y220-L224 HydrophobicContact CE1-CD1 3.75Å; Y220-L224 VanDerWaalsContact O-CB 3.3Å; Y220-L224 WeakPolarHBondContact O-CB 3.3Å; Y220-L224 PolarHBondContact O-N 2.93Å |
| 221 | Y | 64.9 | Low | 64.2 | Low | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -36.4 | 178.9 | -74.5 | -57.9 | 0 | 0 | 0 | 112.6 | P98 D99 L100 I104 M108 L213 G217 L224 I225 | P98-Y221 PolarHBondContact O-OH 3.25Å; D99-Y221 PolarHBondContact O-OH 3.26Å; L100-Y221 WeakPolarHBondContact CA-OH 3.29Å; L100-Y221 HydrophobicContact CD2-CE1 4.01Å; L100-Y221 HydrophobicContact CG-CE1 3.97Å; L100-Y221 PolarHBondContact N-OH 2.85Å; I104-Y221 HydrophobicContact CD1-CE2 4.04Å; I104-Y221 HydrophobicContact CG2-CD1 4.18Å; I104-Y221 HydrophobicContact CG2-CD2 4.06Å; I104-Y221 HydrophobicContact CG2-CE1 4.31Å; I104-Y221 HydrophobicContact CG2-CE2 4.25Å; I104-Y221 HydrophobicContact CG2-CG 4.11Å; M108-Y221 VanDerWaalsContact CE-CB 3.4Å; M108-Y221 HydrophobicContact CE-CD1 4.26Å; M108-Y221 HydrophobicContact CE-CD2 4.5Å; M108-Y221 HydrophobicContact CE-CG 3.84Å; L213-Y221 HydrophobicContact CD2-CD2 3.96Å; G217-Y221 VanDerWaalsContact C-CD2 3.47Å; G217-Y221 VanDerWaalsContact O-CB 3.24Å; G217-Y221 WeakPolarHBondContact O-CB 3.19Å; G217-Y221 WeakPolarHBondContact O-CD2 3.45Å; G217-Y221 PolarHBondContact O-N 3.1Å; Y221-L224 PolarHBondContact O-N 3.05Å; Y221-I225 VanDerWaalsContact O-CB 3.3Å; Y221-I225 WeakPolarHBondContact O-CB 3.42Å; Y221-I225 WeakPolarHBondContact O-CD1 3.35Å; Y221-I225 VanDerWaalsContact O-CG1 3.29Å; Y221-I225 WeakPolarHBondContact O-CG1 3.34Å; Y221-I225 PolarHBondContact O-N 3.25Å |
| 222 | N | 67.9 | Low | 64.5 | Low | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 173.5 | -167.3 | 22.4 | 0 | 0 | 0 | 110.8 | Y115 L218 L224 I225 M226 | Y115-N222 WeakPolarHBondContact CE2-OD1 3.38Å; Y115-N222 PolarHBondContact OH-ND2 2.66Å; L218-N222 WeakPolarHBondContact O-CB 3.48Å; L218-N222 PolarHBondContact O-N 2.94Å; N222-L224 PolarHBondContact O-N 2.86Å; N222-I225 PolarHBondContact O-N 3.5Å; N222-M226 WeakPolarHBondContact O-CB 3.29Å; N222-M226 WeakPolarHBondContact O-CG 3.33Å; N222-M226 PolarHBondContact O-N 2.94Å |
| 223 | A | 65.4 | Low | 65 | Low | 11 Ų | 11 | 38.9 Ų | 38.9 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I83 L219 Y220 I225 M226 I227 | I83-A223 HydrophobicContact CD1-CB 4.49Å; I83-A223 HydrophobicContact CG1-CB 4.04Å; L219-A223 PolarHBondContact O-N 2.91Å; Y220-A223 PolarHBondContact O-N 3.44Å; A223-I225 VanDerWaalsContact C-N 3.33Å; A223-I225 PolarHBondContact O-N 3.34Å; A223-M226 PolarHBondContact O-N 3.43Å; A223-I227 PolarHBondContact O-N 2.79Å; A223-I227 VanDerWaalsContact O-N 3.14Å |
| 224 | L | 67.4 | Low | 65.4 | Low | 30 Ų | 30 | 38.5 Ų | 38.5 | 16% | 0.157 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -34.5 | 179.7 | -170.8 | 143.9 | 0 | 0 | 0 | 112.1 | I83 Y220 Y221 N222 I227 F228 | I83-L224 HydrophobicContact CD1-CB 4.49Å; Y220-L224 HydrophobicContact CE1-CD1 3.75Å; Y220-L224 VanDerWaalsContact O-CB 3.3Å; Y220-L224 WeakPolarHBondContact O-CB 3.3Å; Y220-L224 PolarHBondContact O-N 2.93Å; Y221-L224 PolarHBondContact O-N 3.05Å; N222-L224 PolarHBondContact O-N 2.86Å; L224-I227 WeakPolarHBondContact O-CG2 3.33Å; L224-F228 HydrophobicContact CD2-CE2 4Å; L224-F228 WeakPolarHBondContact O-CD2 3.34Å; L224-F228 WeakPolarHBondContact O-CE2 3.44Å |
| 225 | I | 65.9 | Low | 66 | Low | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -88.5 | -23.9 | 179 | -65.2 | 163.7 | 0 | 0 | 0 | 111.8 | L105 M108 P112 Y221 N222 A223 I227 P229 | L105-I225 HydrophobicContact CD1-CD1 3.71Å; L105-I225 HydrophobicContact CD1-CG1 3.75Å; M108-I225 HydrophobicContact CB-CD1 4.03Å; M108-I225 HydrophobicContact CE-CD1 3.22Å; M108-I225 HydrophobicContact CG-CD1 4.31Å; M108-I225 HydrophobicContact SD-CD1 3.31Å; M108-I225 WeakPolarHBondContact SD-CD1 3.25Å; P112-I225 HydrophobicContact CB-CG2 3.58Å; P112-I225 HydrophobicContact CG-CB 4.44Å; P112-I225 HydrophobicContact CG-CG2 3.1Å; Y221-I225 VanDerWaalsContact O-CB 3.3Å; Y221-I225 WeakPolarHBondContact O-CB 3.42Å; Y221-I225 WeakPolarHBondContact O-CD1 3.35Å; Y221-I225 VanDerWaalsContact O-CG1 3.29Å; Y221-I225 WeakPolarHBondContact O-CG1 3.34Å; Y221-I225 PolarHBondContact O-N 3.25Å; N222-I225 PolarHBondContact O-N 3.5Å; A223-I225 VanDerWaalsContact C-N 3.33Å; A223-I225 PolarHBondContact O-N 3.34Å; I225-I227 VanDerWaalsContact C-N 3.32Å; I225-P229 WeakPolarHBondContact O-CD 3.23Å; I225-P229 WeakPolarHBondContact O-CG 3.38Å |
| 226 | M | 66.1 | Low | 66.3 | Low | 37 Ų | 37 | 47.3 Ų | 47.3 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -32.1 | 170.3 | -81.9 | 177.5 | 165 | 0 | 0 | 112.3 | M79 Y115 N222 A223 F228 P229 T230 | M79-M226 HydrophobicContact SD-CB 3.64Å; M79-M226 HydrophobicContact SD-SD 4.29Å; Y115-M226 HydrophobicContact CD1-CE 3.15Å; Y115-M226 HydrophobicContact CD2-CE 3.47Å; Y115-M226 VanDerWaalsContact CD2-CE 3.47Å; Y115-M226 HydrophobicContact CD2-CG 4.2Å; Y115-M226 HydrophobicContact CE1-CE 3.06Å; Y115-M226 HydrophobicContact CE2-CE 3.4Å; Y115-M226 VanDerWaalsContact CE2-CE 3.4Å; Y115-M226 HydrophobicContact CG-CE 3.34Å; Y115-M226 HydrophobicContact CG-CG 4.29Å; N222-M226 WeakPolarHBondContact O-CB 3.29Å; N222-M226 WeakPolarHBondContact O-CG 3.33Å; N222-M226 PolarHBondContact O-N 2.94Å; A223-M226 PolarHBondContact O-N 3.43Å; M226-F228 PolarHBondContact O-N 3.18Å; M226-P229 VanDerWaalsContact O-CD 3.25Å; M226-P229 WeakPolarHBondContact O-CD 3.48Å; M226-P229 VanDerWaalsContact O-CG 3.28Å; M226-P229 WeakPolarHBondContact O-CG 3.38Å; M226-T230 WeakPolarHBondContact O-CB 3.3Å; M226-T230 PolarHBondContact O-N 3.47Å; M226-T230 PolarHBondContact O-OG1 3.33Å |
| 227 | I | 70.1 | Confident | 66.3 | Low | 22 Ų | 22 | 47 Ų | 47 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -174.3 | -155.4 | 173 | 0 | 0 | 0 | 112.9 | I76 L80 I83 A223 L224 I225 L231 | I76-I227 HydrophobicContact CG2-CG1 4.47Å; L80-I227 HydrophobicContact CD1-CD1 4.43Å; L80-I227 HydrophobicContact CD2-CD1 3.23Å; L80-I227 HydrophobicContact CG-CD1 3.47Å; L80-I227 VanDerWaalsContact CG-CD1 3.47Å; I83-I227 HydrophobicContact CD1-CD1 4.07Å; A223-I227 PolarHBondContact O-N 2.79Å; A223-I227 VanDerWaalsContact O-N 3.14Å; L224-I227 WeakPolarHBondContact O-CG2 3.33Å; I225-I227 VanDerWaalsContact C-N 3.32Å; I227-L231 WeakPolarHBondContact O-CB 3.36Å; I227-L231 PolarHBondContact O-N 3.22Å |
| 228 | F | 67.8 | Low | 66.3 | Low | 135 Ų | 135 | 48 Ų | 48 | 59% | 0.592 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.6 | -55.2 | 178.7 | -64.8 | -81.8 | 0 | 0 | 0 | 113.1 | L224 M226 T230 L231 A232 | L224-F228 HydrophobicContact CD2-CE2 4Å; L224-F228 WeakPolarHBondContact O-CD2 3.34Å; L224-F228 WeakPolarHBondContact O-CE2 3.44Å; M226-F228 PolarHBondContact O-N 3.18Å; F228-T230 PolarHBondContact O-N 2.92Å; F228-L231 PolarHBondContact O-N 2.81Å; F228-A232 WeakPolarHBondContact O-CB 3.35Å; F228-A232 PolarHBondContact O-N 2.93Å |
| 229 | P | 65.5 | Low | 66.5 | Low | 21 Ų | 21 | 48.2 Ų | 48.2 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.1 | 13.2 | -21.6 | 0 | 0 | 0 | 113.5 | P112 V116 I225 M226 A232 Y233 | P112-P229 HydrophobicContact CB-CG 4.3Å; V116-P229 HydrophobicContact CB-CB 4.38Å; V116-P229 HydrophobicContact CG2-CB 2.99Å; V116-P229 HydrophobicContact CG2-CG 4.09Å; I225-P229 WeakPolarHBondContact O-CD 3.23Å; I225-P229 WeakPolarHBondContact O-CG 3.38Å; M226-P229 VanDerWaalsContact O-CD 3.25Å; M226-P229 WeakPolarHBondContact O-CD 3.48Å; M226-P229 VanDerWaalsContact O-CG 3.28Å; M226-P229 WeakPolarHBondContact O-CG 3.38Å; P229-A232 PolarHBondContact O-N 3.45Å; P229-Y233 WeakPolarHBondContact O-CB 3.16Å; P229-Y233 PolarHBondContact O-N 2.9Å |
| 230 | T | 66.2 | Low | 66.5 | Low | 13 Ų | 13 | 47.3 Ų | 47.3 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 178.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | T72 I76 M79 M226 F228 Y233 A234 | T72-T230 HydrophobicContact CG2-CG2 3.61Å; I76-T230 HydrophobicContact CD1-CG2 4.14Å; I76-T230 HydrophobicContact CG1-CG2 3.64Å; M79-T230 HydrophobicContact CE-CG2 3.73Å; M226-T230 WeakPolarHBondContact O-CB 3.3Å; M226-T230 PolarHBondContact O-N 3.47Å; M226-T230 PolarHBondContact O-OG1 3.33Å; F228-T230 PolarHBondContact O-N 2.92Å; T230-Y233 PolarHBondContact O-N 3.2Å; T230-A234 WeakPolarHBondContact O-CB 3.34Å; T230-A234 PolarHBondContact O-N 2.85Å |
| 231 | L | 69.2 | Low | 66.2 | Low | 80 Ų | 80 | 52.1 Ų | 52.1 | 42% | 0.419 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 174.5 | -171.1 | 67.3 | 0 | 0 | 0 | 111.8 | I76 I227 F228 Y233 A234 Y235 L240 | I76-L231 HydrophobicContact CD1-CB 4.5Å; I76-L231 HydrophobicContact CD1-CD1 4.01Å; I227-L231 WeakPolarHBondContact O-CB 3.36Å; I227-L231 PolarHBondContact O-N 3.22Å; F228-L231 PolarHBondContact O-N 2.81Å; L231-Y233 VanDerWaalsContact C-N 3.35Å; L231-A234 PolarHBondContact O-N 3.48Å; L231-Y235 WeakPolarHBondContact O-CB 3.24Å; L231-Y235 PolarHBondContact O-N 3.3Å; L231-L240 HydrophobicContact CD1-CD1 4.47Å; L231-L240 HydrophobicContact CD1-CD2 4.03Å |
| 232 | A | 68.4 | Low | 66.2 | Low | 59 Ų | 59 | 57.8 Ų | 57.8 | 49% | 0.488 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F228 P229 Y235 Y236 | F228-A232 WeakPolarHBondContact O-CB 3.35Å; F228-A232 PolarHBondContact O-N 2.93Å; P229-A232 PolarHBondContact O-N 3.45Å; A232-Y235 PolarHBondContact O-N 2.97Å; A232-Y236 WeakPolarHBondContact O-CB 3.41Å; A232-Y236 PolarHBondContact O-N 3.17Å |
| 233 | Y | 67.4 | Low | 66 | Low | 23 Ų | 23 | 56.6 Ų | 56.6 | 9% | 0.09 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 173.3 | 176.1 | -111.2 | 0 | 0 | 0 | 112 | T72 I120 L123 P229 T230 L231 Y235 Y236 S237 | T72-Y233 HydrophobicContact CG2-CD1 4.12Å; I120-Y233 HydrophobicContact CB-CE2 4.27Å; I120-Y233 HydrophobicContact CD1-CD2 3.42Å; I120-Y233 VanDerWaalsContact CD1-CD2 3.42Å; I120-Y233 HydrophobicContact CD1-CE2 3.63Å; I120-Y233 HydrophobicContact CD1-CG 4.22Å; I120-Y233 HydrophobicContact CG1-CD1 4.4Å; I120-Y233 HydrophobicContact CG1-CD2 3.46Å; I120-Y233 VanDerWaalsContact CG1-CD2 3.46Å; I120-Y233 HydrophobicContact CG1-CE1 4.32Å; I120-Y233 HydrophobicContact CG1-CE2 3.4Å; I120-Y233 HydrophobicContact CG1-CG 3.98Å; I120-Y233 HydrophobicContact CG2-CE2 4.17Å; L123-Y233 HydrophobicContact CD2-CE1 4.18Å; P229-Y233 WeakPolarHBondContact O-CB 3.16Å; P229-Y233 PolarHBondContact O-N 2.9Å; T230-Y233 PolarHBondContact O-N 3.2Å; L231-Y233 VanDerWaalsContact C-N 3.35Å; Y233-Y235 PolarHBondContact O-N 3.38Å; Y233-Y236 PolarHBondContact O-N 2.97Å; Y233-S237 WeakPolarHBondContact O-CB 3.41Å; Y233-S237 PolarHBondContact O-N 3.48Å |
| 234 | A | 67.2 | Low | 65.9 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T72 I76 T230 L231 G238 D239 L240 | T72-A234 HydrophobicContact CG2-CB 3.71Å; I76-A234 HydrophobicContact CD1-CB 3.77Å; T230-A234 WeakPolarHBondContact O-CB 3.34Å; T230-A234 PolarHBondContact O-N 2.85Å; L231-A234 PolarHBondContact O-N 3.48Å; A234-G238 PolarHBondContact O-N 3.39Å; A234-D239 PolarHBondContact O-N 3.4Å; A234-L240 HydrophobicContact CB-CB 3.88Å; A234-L240 VanDerWaalsContact O-CB 3.32Å; A234-L240 WeakPolarHBondContact O-CB 3.49Å; A234-L240 PolarHBondContact O-N 2.67Å |
| 235 | Y | 70.4 | Confident | 65.8 | Low | 164 Ų | 164 | 66.4 Ų | 66.4 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.3 | -49.2 | 174.5 | -174.9 | -96.9 | 0 | 0 | 0 | 111.9 | L231 A232 Y233 S237 G238 | L231-Y235 WeakPolarHBondContact O-CB 3.24Å; L231-Y235 PolarHBondContact O-N 3.3Å; A232-Y235 PolarHBondContact O-N 2.97Å; Y233-Y235 PolarHBondContact O-N 3.38Å; Y235-S237 PolarHBondContact O-N 3.42Å; Y235-G238 PolarHBondContact O-N 2.54Å |
| 236 | Y | 66.1 | Low | 66.1 | Low | 209 Ų | 209 | 67.9 Ų | 67.9 | 82% | 0.82 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.8 | -34.6 | -178.2 | -167.4 | -92.8 | 0 | 0 | 0 | 113.1 | A232 Y233 G238 | A232-Y236 WeakPolarHBondContact O-CB 3.41Å; A232-Y236 PolarHBondContact O-N 3.17Å; Y233-Y236 PolarHBondContact O-N 2.97Å; Y236-G238 PolarHBondContact O-N 3.21Å |
| 237 | S | 62 | Low | 66 | Low | 58 Ų | 58 | 75.6 Ų | 75.6 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.2 | 178.4 | -169 | 0 | 0 | 0 | 0 | 113 | Y233 Y235 D239 | Y233-S237 WeakPolarHBondContact O-CB 3.41Å; Y233-S237 PolarHBondContact O-N 3.48Å; Y235-S237 PolarHBondContact O-N 3.42Å; S237-D239 PolarHBondContact O-N 3.38Å |
| 238 | G | 62.8 | Low | 65.7 | Low | 22 Ų | 22 | 75.2 Ų | 75.2 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | S | Bend | trans | 66.5 | -1.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | A234 Y235 Y236 L240 Q241 M242 | A234-G238 PolarHBondContact O-N 3.39Å; Y235-G238 PolarHBondContact O-N 2.54Å; Y236-G238 PolarHBondContact O-N 3.21Å; G238-L240 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 3.27Å; G238-Q241 PolarHBondContact O-N 3.07Å; G238-Q241 VanDerWaalsContact O-N 3.08Å; G238-M242 PolarHBondContact O-N 3.5Å |
| 239 | D | 66.9 | Low | 65.8 | Low | 17 Ų | 17 | 73.4 Ų | 73.4 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.5 | -31.7 | -175.5 | -158.2 | 32 | 0 | 0 | 0 | 111 | S70 T72 A234 S237 G243 | S70-D239 VanDerWaalsContact CA-OD1 3.23Å; S70-D239 WeakPolarHBondContact CA-OD1 3.45Å; S70-D239 VanDerWaalsContact CB-CG 3.48Å; S70-D239 VanDerWaalsContact CB-O 3.27Å; S70-D239 WeakPolarHBondContact CB-O 3.35Å; S70-D239 WeakPolarHBondContact CB-OD1 3.35Å; S70-D239 WeakPolarHBondContact CB-OD2 3.38Å; S70-D239 PolarHBondContact OG-O 3.3Å; S70-D239 PolarHBondContact OG-OD1 2.89Å; S70-D239 PolarHBondContact OG-OD2 2.95Å; T72-D239 VanDerWaalsContact CB-OD2 3.23Å; T72-D239 WeakPolarHBondContact CB-OD2 3.37Å; T72-D239 PolarHBondContact OG1-OD2 3.14Å; A234-D239 PolarHBondContact O-N 3.4Å; S237-D239 PolarHBondContact O-N 3.38Å; D239-G243 PolarHBondContact O-N 3.5Å |
| 240 | L | 62.6 | Low | 66 | Low | 36 Ų | 36 | 77 Ų | 77 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 171.6 | -172.3 | 63.7 | 0 | 0 | 0 | 111.9 | L231 A234 G238 G243 L244 | L231-L240 HydrophobicContact CD1-CD1 4.47Å; L231-L240 HydrophobicContact CD1-CD2 4.03Å; A234-L240 HydrophobicContact CB-CB 3.88Å; A234-L240 VanDerWaalsContact O-CB 3.32Å; A234-L240 WeakPolarHBondContact O-CB 3.49Å; A234-L240 PolarHBondContact O-N 2.67Å; G238-L240 VanDerWaalsContact C-N 3.28Å; G238-L240 PolarHBondContact O-N 3.27Å; L240-G243 PolarHBondContact O-N 3.21Å; L240-L244 HydrophobicContact CD1-CD1 4.33Å; L240-L244 HydrophobicContact CG-CD1 4.02Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 WeakPolarHBondContact O-CD1 3.39Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 3Å |
| 241 | Q | 61 | Low | 66.5 | Low | 113 Ų | 113 | 79.6 Ų | 79.6 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.7 | -44.1 | 178.2 | -76.6 | 174.8 | -21.1 | 0 | 0 | 111 | G238 G243 L244 D245 | G238-Q241 PolarHBondContact O-N 3.07Å; G238-Q241 VanDerWaalsContact O-N 3.08Å; Q241-G243 VanDerWaalsContact C-N 3.27Å; Q241-G243 PolarHBondContact O-N 3.1Å; Q241-L244 PolarHBondContact O-N 3.42Å; Q241-D245 WeakPolarHBondContact O-CB 3.36Å; Q241-D245 PolarHBondContact O-N 2.76Å |
| 242 | M | 64.3 | Low | 66.9 | Low | 122 Ų | 122 | 83.3 Ų | 83.3 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.5 | -37.2 | 172 | -85.7 | -172.8 | 160.5 | 0 | 0 | 112.8 | P69 G238 Y246 | P69-M242 HydrophobicContact CB-CB 4.27Å; P69-M242 HydrophobicContact CB-SD 4.46Å; P69-M242 HydrophobicContact CG-CB 4.08Å; P69-M242 WeakPolarHBondContact CG-O 3.49Å; G238-M242 PolarHBondContact O-N 3.5Å; M242-Y246 PolarHBondContact O-N 3.47Å |
| 243 | G | 63.5 | Low | 67.3 | Low | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -69.9 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D239 L240 Q241 Y246 W249 | D239-G243 PolarHBondContact O-N 3.5Å; L240-G243 PolarHBondContact O-N 3.21Å; Q241-G243 VanDerWaalsContact C-N 3.27Å; Q241-G243 PolarHBondContact O-N 3.1Å; G243-Y246 WeakPolarHBondContact O-CB 3.48Å; G243-W249 PolarHBondContact O-NE1 3.11Å |
| 244 | L | 63.3 | Low | 67.8 | Low | 112 Ų | 112 | 84.7 Ų | 84.7 | 59% | 0.586 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -75.9 | -37.9 | 178.8 | -72.9 | 169.1 | 0 | 0 | 0 | 112.8 | L240 Q241 Y246 | L240-L244 HydrophobicContact CD1-CD1 4.33Å; L240-L244 HydrophobicContact CG-CD1 4.02Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 WeakPolarHBondContact O-CD1 3.39Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 3Å; Q241-L244 PolarHBondContact O-N 3.42Å; L244-Y246 PolarHBondContact O-N 2.86Å |
| 245 | D | 66.3 | Low | 68.3 | Low | 135 Ų | 135 | 86.9 Ų | 86.9 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -81.7 | 5.7 | 177.7 | -72.3 | -20.5 | 0 | 0 | 0 | 113.1 | Q241 K247 | Q241-D245 WeakPolarHBondContact O-CB 3.36Å; Q241-D245 PolarHBondContact O-N 2.76Å; D245-K247 PolarHBondContact O-N 3.04Å; D245-K247 VanDerWaalsContact O-N 3.15Å |
| 246 | Y | 70.9 | Confident | 68.7 | Low | 47 Ų | 47 | 83.3 Ų | 83.3 | 18% | 0.184 | 43% | 0.43 | C | S | . | . | trans | -65.9 | 114 | -179.9 | -179.6 | -107.4 | 0 | 0 | 0 | 111.2 | Y66 F68 P69 M242 G243 L244 G248 W249 F254 | Y66-Y246 PolarHBondContact O-OH 3.22Å; F68-Y246 AromaticContact CD2-CD1 3.62Å; F68-Y246 HydrophobicContact CD2-CD1 3.62Å; F68-Y246 HydrophobicContact CD2-CD2 4.11Å; F68-Y246 AromaticContact CD2-CE1 3.98Å; F68-Y246 HydrophobicContact CD2-CE1 3.98Å; F68-Y246 HydrophobicContact CD2-CE2 4.44Å; F68-Y246 AromaticContact CD2-CG 3.7Å; F68-Y246 HydrophobicContact CD2-CG 3.7Å; F68-Y246 AromaticContact CE2-CD1 3.92Å; F68-Y246 HydrophobicContact CE2-CD1 3.92Å; F68-Y246 AromaticContact CE2-CG 3.92Å; F68-Y246 HydrophobicContact CE2-CG 3.92Å; P69-Y246 VanDerWaalsContact CD-CD2 3.45Å; P69-Y246 HydrophobicContact CG-CD2 4.19Å; M242-Y246 PolarHBondContact O-N 3.47Å; G243-Y246 WeakPolarHBondContact O-CB 3.48Å; L244-Y246 PolarHBondContact O-N 2.86Å; Y246-G248 PolarHBondContact O-N 3.5Å; Y246-W249 PolarHBondContact O-N 3.47Å; Y246-W249 VanDerWaalsContact O-N 3.17Å; Y246-F254 HydrophobicContact CD1-CD1 4.33Å; Y246-F254 AromaticContact CD1-CE1 3.74Å; Y246-F254 HydrophobicContact CD1-CE1 3.74Å; Y246-F254 HydrophobicContact CD1-CE2 4.43Å; Y246-F254 AromaticContact CD1-CZ 3.81Å; Y246-F254 HydrophobicContact CD1-CZ 3.81Å; Y246-F254 AromaticContact CE1-CD1 3.99Å; Y246-F254 HydrophobicContact CE1-CD1 3.99Å; Y246-F254 HydrophobicContact CE1-CD2 4.07Å; Y246-F254 AromaticContact CE1-CE1 3.7Å; Y246-F254 HydrophobicContact CE1-CE1 3.7Å; Y246-F254 AromaticContact CE1-CE2 3.78Å; Y246-F254 HydrophobicContact CE1-CE2 3.78Å; Y246-F254 HydrophobicContact CE1-CG 4.17Å; Y246-F254 AromaticContact CE1-CZ 3.6Å; Y246-F254 HydrophobicContact CE1-CZ 3.6Å | ||
| 247 | K | 63.7 | Low | 69 | Low | 199 Ų | 199 | 75.6 Ų | 75.6 | 87% | 0.865 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -59.1 | -19.1 | -176.3 | -68.7 | -177.2 | 179 | 178 | 0 | 114.6 | D245 W249 | D245-K247 PolarHBondContact O-N 3.04Å; D245-K247 VanDerWaalsContact O-N 3.15Å; K247-W249 VanDerWaalsContact C-N 3.26Å; K247-W249 PolarHBondContact O-N 3.01Å |
| 248 | G | 65 | Low | 69.6 | Low | 14 Ų | 14 | 74 Ų | 74 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -75.8 | -2.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y246 A250 D251 F254 | Y246-G248 PolarHBondContact O-N 3.5Å; G248-A250 PolarHBondContact O-N 3.04Å; G248-D251 WeakPolarHBondContact O-CB 3.33Å; G248-D251 PolarHBondContact O-N 3.3Å; G248-F254 WeakPolarHBondContact O-CD1 3.14Å |
| 249 | W | 68.4 | Low | 70.4 | Confident | 97 Ų | 97 | 76.6 Ų | 76.6 | 37% | 0.367 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -59.2 | -22.9 | 168.2 | -73.9 | 113.6 | 0 | 0 | 0 | 113.5 | G243 Y246 K247 D251 F254 V255 F258 | G243-W249 PolarHBondContact O-NE1 3.11Å; Y246-W249 PolarHBondContact O-N 3.47Å; Y246-W249 VanDerWaalsContact O-N 3.17Å; K247-W249 VanDerWaalsContact C-N 3.26Å; K247-W249 PolarHBondContact O-N 3.01Å; W249-D251 VanDerWaalsContact C-N 3.3Å; W249-F254 HydrophobicContact CD2-CE1 4.27Å; W249-F254 HydrophobicContact CE3-CE1 4.33Å; W249-V255 HydrophobicContact CE3-CG2 4.07Å; W249-V255 VanDerWaalsContact O-CG2 3.29Å; W249-V255 WeakPolarHBondContact O-CG2 3.37Å; W249-F258 AromaticContact CH2-CD1 3.86Å; W249-F258 HydrophobicContact CH2-CD1 3.86Å; W249-F258 HydrophobicContact CH2-CD2 4.41Å; W249-F258 AromaticContact CH2-CE1 3.76Å; W249-F258 HydrophobicContact CH2-CE1 3.76Å; W249-F258 HydrophobicContact CH2-CE2 4.31Å; W249-F258 HydrophobicContact CH2-CG 4.19Å; W249-F258 HydrophobicContact CH2-CZ 4Å; W249-F258 HydrophobicContact CZ3-CD1 4.13Å; W249-F258 HydrophobicContact CZ3-CE1 4.42Å; W249-F258 HydrophobicContact CZ3-CG 4.47Å |
| 250 | A | 69.6 | Low | 71 | Confident | 97 Ų | 97 | 79.7 Ų | 79.7 | 80% | 0.802 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -76 | -17.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G248 Q252 | G248-A250 PolarHBondContact O-N 3.04Å; A250-Q252 PolarHBondContact O-N 3.5Å |
| 251 | D | 77.8 | Confident | 71.6 | Confident | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.353 | 41% | 0.406 | S | S | . | . | trans | -83.5 | 114.2 | 176.1 | -176.5 | -4.3 | 0 | 0 | 0 | 110.2 | G248 W249 L253 F254 V255 | G248-D251 WeakPolarHBondContact O-CB 3.33Å; G248-D251 PolarHBondContact O-N 3.3Å; W249-D251 VanDerWaalsContact C-N 3.3Å; D251-L253 PolarHBondContact O-N 3Å; D251-L253 WeakPolarHBondContact OD1-CB 3.13Å; D251-L253 PolarHBondContact OD1-N 3.09Å; D251-F254 HydrophobicContact CB-CB 4.02Å; D251-F254 WeakPolarHBondContact O-CB 3.48Å; D251-F254 PolarHBondContact O-N 3.39Å; D251-F254 VanDerWaalsContact O-N 3.15Å; D251-V255 WeakPolarHBondContact O-CG2 3.21Å; D251-V255 PolarHBondContact O-N 3.13Å | ||
| 252 | Q | 76.4 | Confident | 72.2 | Confident | 158 Ų | 158 | 73.3 Ų | 73.3 | 74% | 0.738 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.5 | -30.2 | -180 | -167.4 | 170.3 | -31.8 | 0 | 0 | 112.4 | A250 V256 | A250-Q252 PolarHBondContact O-N 3.5Å; Q252-V256 WeakPolarHBondContact O-CB 3.36Å; Q252-V256 VanDerWaalsContact O-CG2 3.23Å; Q252-V256 WeakPolarHBondContact O-CG2 3.2Å; Q252-V256 PolarHBondContact O-N 3.42Å |
| 253 | L | 78.8 | Confident | 72.8 | Confident | 112 Ų | 112 | 70.9 Ų | 70.9 | 59% | 0.586 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.3 | -40.7 | 175.9 | -68.1 | 173.6 | 0 | 0 | 0 | 111.5 | D251 V256 Q257 | D251-L253 PolarHBondContact O-N 3Å; D251-L253 WeakPolarHBondContact OD1-CB 3.13Å; D251-L253 PolarHBondContact OD1-N 3.09Å; L253-V256 PolarHBondContact O-N 3.25Å; L253-Q257 WeakPolarHBondContact O-CG 3.35Å; L253-Q257 PolarHBondContact O-N 3.25Å |
| 254 | F | 76.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 174.6 | 173.6 | -101.2 | 0 | 0 | 0 | 111.4 | V62 Y66 F68 Y246 G248 W249 D251 V256 Q257 F258 | V62-F254 HydrophobicContact CG1-CE2 4.05Å; Y66-F254 HydrophobicContact CD1-CB 3.95Å; Y66-F254 AromaticContact CD1-CD2 3.88Å; Y66-F254 HydrophobicContact CD1-CD2 3.88Å; Y66-F254 HydrophobicContact CD1-CG 4.38Å; Y66-F254 HydrophobicContact CE1-CB 4.11Å; Y66-F254 AromaticContact CG-CD2 3.78Å; Y66-F254 HydrophobicContact CG-CD2 3.78Å; F68-F254 HydrophobicContact CB-CE2 4Å; F68-F254 HydrophobicContact CB-CZ 4.25Å; F68-F254 HydrophobicContact CD2-CE1 4.33Å; F68-F254 AromaticContact CD2-CE2 3.99Å; F68-F254 HydrophobicContact CD2-CE2 3.99Å; F68-F254 AromaticContact CD2-CZ 3.38Å; F68-F254 HydrophobicContact CD2-CZ 3.38Å; F68-F254 HydrophobicContact CE2-CE1 4.45Å; F68-F254 AromaticContact CE2-CZ 3.8Å; F68-F254 HydrophobicContact CE2-CZ 3.8Å; F68-F254 HydrophobicContact CG-CE2 4.13Å; F68-F254 AromaticContact CG-CZ 3.87Å; F68-F254 HydrophobicContact CG-CZ 3.87Å; Y246-F254 HydrophobicContact CD1-CD1 4.33Å; Y246-F254 AromaticContact CD1-CE1 3.74Å; Y246-F254 HydrophobicContact CD1-CE1 3.74Å; Y246-F254 HydrophobicContact CD1-CE2 4.43Å; Y246-F254 AromaticContact CD1-CZ 3.81Å; Y246-F254 HydrophobicContact CD1-CZ 3.81Å; Y246-F254 AromaticContact CE1-CD1 3.99Å; Y246-F254 HydrophobicContact CE1-CD1 3.99Å; Y246-F254 HydrophobicContact CE1-CD2 4.07Å; Y246-F254 AromaticContact CE1-CE1 3.7Å; Y246-F254 HydrophobicContact CE1-CE1 3.7Å; Y246-F254 AromaticContact CE1-CE2 3.78Å; Y246-F254 HydrophobicContact CE1-CE2 3.78Å; Y246-F254 HydrophobicContact CE1-CG 4.17Å; Y246-F254 AromaticContact CE1-CZ 3.6Å; Y246-F254 HydrophobicContact CE1-CZ 3.6Å; G248-F254 WeakPolarHBondContact O-CD1 3.14Å; W249-F254 HydrophobicContact CD2-CE1 4.27Å; W249-F254 HydrophobicContact CE3-CE1 4.33Å; D251-F254 HydrophobicContact CB-CB 4.02Å; D251-F254 WeakPolarHBondContact O-CB 3.48Å; D251-F254 PolarHBondContact O-N 3.39Å; D251-F254 VanDerWaalsContact O-N 3.15Å; F254-V256 PolarHBondContact O-N 3Å; F254-Q257 PolarHBondContact O-N 3.15Å; F254-F258 HydrophobicContact CZ-CD2 4.39Å; F254-F258 WeakPolarHBondContact O-CB 3.48Å; F254-F258 PolarHBondContact O-N 3.24Å |
| 255 | V | 78.3 | Confident | 73.6 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 28% | 0.279 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | W249 D251 Q257 F258 V259 | W249-V255 HydrophobicContact CE3-CG2 4.07Å; W249-V255 VanDerWaalsContact O-CG2 3.29Å; W249-V255 WeakPolarHBondContact O-CG2 3.37Å; D251-V255 WeakPolarHBondContact O-CG2 3.21Å; D251-V255 PolarHBondContact O-N 3.13Å; V255-Q257 VanDerWaalsContact C-N 3.33Å; V255-Q257 PolarHBondContact O-N 3.37Å; V255-F258 PolarHBondContact O-N 3.09Å; V255-V259 HydrophobicContact CG1-CG2 4.41Å; V255-V259 WeakPolarHBondContact O-CB 3.34Å; V255-V259 VanDerWaalsContact O-CG2 3.32Å; V255-V259 WeakPolarHBondContact O-CG2 3.43Å; V255-V259 PolarHBondContact O-N 3.41Å |
| 256 | V | 79.4 | Confident | 73.9 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 111 | Q252 L253 F254 L260 | Q252-V256 WeakPolarHBondContact O-CB 3.36Å; Q252-V256 VanDerWaalsContact O-CG2 3.23Å; Q252-V256 WeakPolarHBondContact O-CG2 3.2Å; Q252-V256 PolarHBondContact O-N 3.42Å; L253-V256 PolarHBondContact O-N 3.25Å; F254-V256 PolarHBondContact O-N 3Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.46Å |
| 257 | Q | 72.1 | Confident | 74.1 | Confident | 48 Ų | 48 | 62.2 Ų | 62.2 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 177.4 | -72.5 | -166 | 18.6 | 0 | 0 | 113.4 | S61 V62 Y66 L253 F254 V255 L260 S261 | S61-Q257 PolarHBondContact OG-OE1 3.49Å; V62-Q257 HydrophobicContact CG2-CB 4.04Å; Y66-Q257 VanDerWaalsContact CE2-CD 3.41Å; Y66-Q257 PolarHBondContact OH-NE2 3.18Å; L253-Q257 WeakPolarHBondContact O-CG 3.35Å; L253-Q257 PolarHBondContact O-N 3.25Å; F254-Q257 PolarHBondContact O-N 3.15Å; V255-Q257 VanDerWaalsContact C-N 3.33Å; V255-Q257 PolarHBondContact O-N 3.37Å; Q257-L260 PolarHBondContact O-N 3.09Å; Q257-S261 WeakPolarHBondContact O-CB 3.28Å; Q257-S261 PolarHBondContact O-N 3.18Å |
| 258 | F | 75.1 | Confident | 74.6 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.3 | -177.5 | -89.7 | 0 | 0 | 0 | 111.3 | V62 F68 V74 W249 F254 V255 L260 S261 C262 | V62-F258 HydrophobicContact CG1-CD2 4.47Å; F68-F258 HydrophobicContact CE1-CE2 4.07Å; F68-F258 HydrophobicContact CZ-CE2 4.27Å; V74-F258 HydrophobicContact CB-CE2 4.44Å; V74-F258 HydrophobicContact CG2-CD2 4.09Å; V74-F258 HydrophobicContact CG2-CE2 3.7Å; W249-F258 AromaticContact CH2-CD1 3.86Å; W249-F258 HydrophobicContact CH2-CD1 3.86Å; W249-F258 HydrophobicContact CH2-CD2 4.41Å; W249-F258 AromaticContact CH2-CE1 3.76Å; W249-F258 HydrophobicContact CH2-CE1 3.76Å; W249-F258 HydrophobicContact CH2-CE2 4.31Å; W249-F258 HydrophobicContact CH2-CG 4.19Å; W249-F258 HydrophobicContact CH2-CZ 4Å; W249-F258 HydrophobicContact CZ3-CD1 4.13Å; W249-F258 HydrophobicContact CZ3-CE1 4.42Å; W249-F258 HydrophobicContact CZ3-CG 4.47Å; F254-F258 HydrophobicContact CZ-CD2 4.39Å; F254-F258 WeakPolarHBondContact O-CB 3.48Å; F254-F258 PolarHBondContact O-N 3.24Å; V255-F258 PolarHBondContact O-N 3.09Å; F258-L260 VanDerWaalsContact C-N 3.34Å; F258-L260 PolarHBondContact O-N 3.24Å; F258-S261 WeakPolarHBondContact O-CB 3.5Å; F258-S261 PolarHBondContact O-N 3.11Å; F258-C262 PolarHBondContact O-N 3.2Å; F258-C262 PolarHBondContact O-SG 3.36Å |
| 259 | V | 79.6 | Confident | 74.8 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 175 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | V255 S261 C262 V263 | V255-V259 HydrophobicContact CG1-CG2 4.41Å; V255-V259 WeakPolarHBondContact O-CB 3.34Å; V255-V259 VanDerWaalsContact O-CG2 3.32Å; V255-V259 WeakPolarHBondContact O-CG2 3.43Å; V255-V259 PolarHBondContact O-N 3.41Å; V259-S261 VanDerWaalsContact C-N 3.32Å; V259-S261 PolarHBondContact O-N 2.96Å; V259-C262 WeakPolarHBondContact O-CB 3.31Å; V259-C262 PolarHBondContact O-N 3.26Å; V259-C262 VanDerWaalsContact O-N 3.12Å; V259-V263 HydrophobicContact CG1-CG2 4.38Å; V259-V263 WeakPolarHBondContact O-CG2 3.19Å; V259-V263 PolarHBondContact O-N 3.47Å |
| 260 | L | 78.9 | Confident | 74.9 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 174.9 | -175.9 | 66.4 | 0 | 0 | 0 | 111.2 | V58 V256 Q257 F258 C262 V263 M264 | V58-L260 HydrophobicContact CG2-CD2 4.42Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.46Å; Q257-L260 PolarHBondContact O-N 3.09Å; F258-L260 VanDerWaalsContact C-N 3.34Å; F258-L260 PolarHBondContact O-N 3.24Å; L260-C262 VanDerWaalsContact C-N 3.32Å; L260-C262 PolarHBondContact O-N 2.74Å; L260-V263 PolarHBondContact O-N 2.9Å; L260-M264 HydrophobicContact CD1-CG 4.35Å; L260-M264 HydrophobicContact CG-CG 4.3Å; L260-M264 VanDerWaalsContact O-CB 3.3Å; L260-M264 WeakPolarHBondContact O-CB 3.47Å; L260-M264 WeakPolarHBondContact O-CG 3.24Å; L260-M264 PolarHBondContact O-N 2.84Å |
| 261 | S | 74.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 173.7 | 175.9 | 0 | 0 | 0 | 0 | 112 | N59 V74 Q78 Q257 F258 V259 M264 G265 | N59-S261 PolarHBondContact OD1-OG 2.98Å; V74-S261 WeakPolarHBondContact CG1-OG 3.5Å; Q78-S261 WeakPolarHBondContact CG-O 3.2Å; Q78-S261 PolarHBondContact NE2-O 2.62Å; Q78-S261 PolarHBondContact NE2-OG 3.19Å; Q257-S261 WeakPolarHBondContact O-CB 3.28Å; Q257-S261 PolarHBondContact O-N 3.18Å; F258-S261 WeakPolarHBondContact O-CB 3.5Å; F258-S261 PolarHBondContact O-N 3.11Å; V259-S261 VanDerWaalsContact C-N 3.32Å; V259-S261 PolarHBondContact O-N 2.96Å; S261-M264 PolarHBondContact O-N 3.04Å; S261-G265 PolarHBondContact O-N 3.23Å; S261-G265 VanDerWaalsContact O-N 3.14Å |
| 262 | C | 75.1 | Confident | 74.3 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.9 | -65.2 | 0 | 0 | 0 | 0 | 112 | F258 V259 L260 G265 | F258-C262 PolarHBondContact O-N 3.2Å; F258-C262 PolarHBondContact O-SG 3.36Å; V259-C262 WeakPolarHBondContact O-CB 3.31Å; V259-C262 PolarHBondContact O-N 3.26Å; V259-C262 VanDerWaalsContact O-N 3.12Å; L260-C262 VanDerWaalsContact C-N 3.32Å; L260-C262 PolarHBondContact O-N 2.74Å; C262-G265 PolarHBondContact O-N 2.88Å |
| 263 | V | 77 | Confident | 73.7 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 42% | 0.424 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.5 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | V259 L260 G265 F266 V267 | V259-V263 HydrophobicContact CG1-CG2 4.38Å; V259-V263 WeakPolarHBondContact O-CG2 3.19Å; V259-V263 PolarHBondContact O-N 3.47Å; L260-V263 PolarHBondContact O-N 2.9Å; V263-G265 PolarHBondContact O-N 3.34Å; V263-F266 WeakPolarHBondContact O-CA 3.33Å; V263-F266 WeakPolarHBondContact O-CB 3.32Å; V263-F266 PolarHBondContact O-N 3.49Å; V263-V267 HydrophobicContact CG1-CG2 4.2Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V263-V267 PolarHBondContact O-N 3.38Å |
| 264 | M | 74.4 | Confident | 73 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -31.2 | 177.8 | -74.7 | -66.8 | -73.6 | 0 | 0 | 112.5 | L54 I55 L260 S261 F266 V267 L268 | L54-M264 HydrophobicContact CB-CE 3.29Å; L54-M264 HydrophobicContact CD1-CE 4.07Å; L54-M264 HydrophobicContact CG-CE 4.34Å; I55-M264 HydrophobicContact CB-CB 4.37Å; I55-M264 HydrophobicContact CG1-CB 4.18Å; L260-M264 HydrophobicContact CD1-CG 4.35Å; L260-M264 HydrophobicContact CG-CG 4.3Å; L260-M264 VanDerWaalsContact O-CB 3.3Å; L260-M264 WeakPolarHBondContact O-CB 3.47Å; L260-M264 WeakPolarHBondContact O-CG 3.24Å; L260-M264 PolarHBondContact O-N 2.84Å; S261-M264 PolarHBondContact O-N 3.04Å; M264-F266 VanDerWaalsContact C-N 3.34Å; M264-V267 PolarHBondContact O-N 3.14Å; M264-V267 HydrophobicContact SD-CB 4.49Å; M264-L268 VanDerWaalsContact O-CB 3.31Å; M264-L268 WeakPolarHBondContact O-CB 3.41Å; M264-L268 PolarHBondContact O-N 3.38Å |
| 265 | G | 68.9 | Low | 72.4 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S261 C262 V263 M269 | S261-G265 PolarHBondContact O-N 3.23Å; S261-G265 VanDerWaalsContact O-N 3.14Å; C262-G265 PolarHBondContact O-N 2.88Å; V263-G265 PolarHBondContact O-N 3.34Å; G265-M269 PolarHBondContact O-N 3.34Å; G265-M269 VanDerWaalsContact O-N 3.13Å |
| 266 | F | 71.9 | Confident | 71.6 | Confident | 52 Ų | 52 | 43.1 Ų | 43.1 | 23% | 0.228 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 173.2 | 168.2 | -100.4 | 0 | 0 | 0 | 111.9 | V85 V263 M264 L268 M269 Y270 | V85-F266 HydrophobicContact CB-CD2 3.73Å; V85-F266 HydrophobicContact CB-CE2 3.63Å; V85-F266 HydrophobicContact CB-CG 4.31Å; V85-F266 HydrophobicContact CB-CZ 4.12Å; V85-F266 HydrophobicContact CG1-CD1 4.43Å; V85-F266 HydrophobicContact CG1-CD2 3.82Å; V85-F266 HydrophobicContact CG1-CE1 3.89Å; V85-F266 HydrophobicContact CG1-CE2 3.19Å; V85-F266 HydrophobicContact CG1-CG 4.4Å; V85-F266 HydrophobicContact CG1-CZ 3.25Å; V85-F266 HydrophobicContact CG2-CD1 4.42Å; V85-F266 HydrophobicContact CG2-CD2 4.1Å; V85-F266 HydrophobicContact CG2-CE2 4.31Å; V85-F266 HydrophobicContact CG2-CG 4.17Å; V263-F266 WeakPolarHBondContact O-CA 3.33Å; V263-F266 WeakPolarHBondContact O-CB 3.32Å; V263-F266 PolarHBondContact O-N 3.49Å; M264-F266 VanDerWaalsContact C-N 3.34Å; F266-L268 PolarHBondContact O-N 2.99Å; F266-M269 PolarHBondContact O-N 2.79Å; F266-Y270 PolarHBondContact O-N 2.85Å |
| 267 | V | 75.9 | Confident | 70.7 | Confident | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.4 | -38.6 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111 | F47 V263 M264 S271 | F47-V267 HydrophobicContact CE1-CG1 4.21Å; F47-V267 HydrophobicContact CE2-CG1 4.44Å; F47-V267 HydrophobicContact CZ-CG1 3.69Å; V263-V267 HydrophobicContact CG1-CG2 4.2Å; V263-V267 WeakPolarHBondContact O-CG2 3.34Å; V263-V267 PolarHBondContact O-N 3.38Å; M264-V267 PolarHBondContact O-N 3.14Å; M264-V267 HydrophobicContact SD-CB 4.49Å; V267-S271 VanDerWaalsContact O-CB 3.28Å; V267-S271 WeakPolarHBondContact O-CB 3.37Å; V267-S271 PolarHBondContact O-N 3.47Å; V267-S271 PolarHBondContact O-OG 3.3Å |
| 268 | L | 73.8 | Confident | 70 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 174.4 | 178.6 | 66.6 | 0 | 0 | 0 | 111.3 | Y48 S52 I55 M264 F266 Y270 S271 I272 | Y48-L268 HydrophobicContact CD2-CD1 4.22Å; Y48-L268 HydrophobicContact CE2-CD1 4.04Å; S52-L268 WeakPolarHBondContact OG-CD1 3.35Å; I55-L268 HydrophobicContact CD1-CB 4.24Å; I55-L268 HydrophobicContact CD1-CD2 3.88Å; I55-L268 HydrophobicContact CG2-CD2 4.22Å; M264-L268 VanDerWaalsContact O-CB 3.31Å; M264-L268 WeakPolarHBondContact O-CB 3.41Å; M264-L268 PolarHBondContact O-N 3.38Å; F266-L268 PolarHBondContact O-N 2.99Å; L268-Y270 VanDerWaalsContact C-N 3.33Å; L268-Y270 PolarHBondContact O-N 3.47Å; L268-S271 WeakPolarHBondContact O-CB 3.31Å; L268-S271 PolarHBondContact O-N 2.85Å; L268-I272 HydrophobicContact CD1-CD1 4.17Å; L268-I272 HydrophobicContact CD1-CG1 4.41Å; L268-I272 HydrophobicContact CG-CD1 3.9Å; L268-I272 VanDerWaalsContact O-CG1 3.27Å; L268-I272 WeakPolarHBondContact O-CG1 3.27Å; L268-I272 PolarHBondContact O-N 3.01Å |
| 269 | M | 68.4 | Low | 69.2 | Low | 72 Ų | 72 | 43.9 Ų | 43.9 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.6 | -87.8 | -63 | 174.8 | 0 | 0 | 112.2 | L219 G265 F266 I272 M273 | L219-M269 HydrophobicContact CD1-CE 4.34Å; L219-M269 HydrophobicContact CD1-SD 4.03Å; L219-M269 HydrophobicContact CD2-SD 4.32Å; G265-M269 PolarHBondContact O-N 3.34Å; G265-M269 VanDerWaalsContact O-N 3.13Å; F266-M269 PolarHBondContact O-N 2.79Å; M269-I272 PolarHBondContact O-N 3.02Å; M269-I272 HydrophobicContact SD-CD1 4.49Å; M269-M273 WeakPolarHBondContact O-CB 3.49Å; M269-M273 PolarHBondContact O-N 3.4Å |
| 270 | Y | 71.9 | Confident | 68.3 | Low | 102 Ų | 102 | 43.1 Ų | 43.1 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -45 | 174 | 179.5 | -100.2 | 0 | 0 | 0 | 111.5 | F47 F266 L268 I272 M273 L274 | F47-Y270 HydrophobicContact CE1-CD1 4.23Å; F266-Y270 PolarHBondContact O-N 2.85Å; L268-Y270 VanDerWaalsContact C-N 3.33Å; L268-Y270 PolarHBondContact O-N 3.47Å; Y270-I272 PolarHBondContact O-N 2.85Å; Y270-M273 HydrophobicContact CD2-CE 3.84Å; Y270-M273 HydrophobicContact CE2-CE 4.1Å; Y270-M273 PolarHBondContact O-N 3.34Å; Y270-L274 HydrophobicContact CE1-CB 4.43Å; Y270-L274 HydrophobicContact CE1-CD2 3.94Å; Y270-L274 VanDerWaalsContact O-CB 3.27Å; Y270-L274 WeakPolarHBondContact O-CB 3.25Å; Y270-L274 PolarHBondContact O-N 3Å |
| 271 | S | 68.3 | Low | 67.3 | Low | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | F47 S51 V267 L268 M273 C275 | F47-S271 WeakPolarHBondContact CD1-OG 3.42Å; F47-S271 WeakPolarHBondContact CE1-OG 3.28Å; S51-S271 PolarHBondContact OG-OG 3.44Å; V267-S271 VanDerWaalsContact O-CB 3.28Å; V267-S271 WeakPolarHBondContact O-CB 3.37Å; V267-S271 PolarHBondContact O-N 3.47Å; V267-S271 PolarHBondContact O-OG 3.3Å; L268-S271 WeakPolarHBondContact O-CB 3.31Å; L268-S271 PolarHBondContact O-N 2.85Å; S271-M273 VanDerWaalsContact C-N 3.34Å; S271-C275 WeakPolarHBondContact O-CB 3.41Å; S271-C275 PolarHBondContact O-N 3.11Å |
| 272 | I | 65.4 | Low | 66.4 | Low | 51 Ų | 51 | 42.7 Ų | 42.7 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.9 | -70.4 | 164 | 0 | 0 | 0 | 109.9 | Y48 L268 M269 Y270 T276 | Y48-I272 HydrophobicContact CD2-CG1 3.65Å; Y48-I272 HydrophobicContact CE2-CD1 4.1Å; Y48-I272 HydrophobicContact CE2-CG1 3.34Å; L268-I272 HydrophobicContact CD1-CD1 4.17Å; L268-I272 HydrophobicContact CD1-CG1 4.41Å; L268-I272 HydrophobicContact CG-CD1 3.9Å; L268-I272 VanDerWaalsContact O-CG1 3.27Å; L268-I272 WeakPolarHBondContact O-CG1 3.27Å; L268-I272 PolarHBondContact O-N 3.01Å; M269-I272 PolarHBondContact O-N 3.02Å; M269-I272 HydrophobicContact SD-CD1 4.49Å; Y270-I272 PolarHBondContact O-N 2.85Å; I272-T276 VanDerWaalsContact O-CB 3.29Å; I272-T276 WeakPolarHBondContact O-CB 3.32Å; I272-T276 PolarHBondContact O-N 2.91Å; I272-T276 PolarHBondContact O-OG1 3.34Å |
| 273 | M | 63.7 | Low | 65.8 | Low | 39 Ų | 39 | 43.8 Ų | 43.8 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 179.4 | -174.9 | -179.1 | 76.9 | 0 | 0 | 111.6 | Y216 M269 Y270 S271 C275 T276 Q277 | Y216-M273 HydrophobicContact CD1-SD 4.07Å; Y216-M273 HydrophobicContact CE1-CE 4.43Å; Y216-M273 HydrophobicContact CE1-CG 4.41Å; Y216-M273 HydrophobicContact CE1-SD 3.4Å; Y216-M273 WeakPolarHBondContact CE1-SD 3.19Å; M269-M273 WeakPolarHBondContact O-CB 3.49Å; M269-M273 PolarHBondContact O-N 3.4Å; Y270-M273 HydrophobicContact CD2-CE 3.84Å; Y270-M273 HydrophobicContact CE2-CE 4.1Å; Y270-M273 PolarHBondContact O-N 3.34Å; S271-M273 VanDerWaalsContact C-N 3.34Å; M273-C275 VanDerWaalsContact C-N 3.34Å; M273-C275 PolarHBondContact O-N 2.63Å; M273-T276 CarbonylContact O-C 3.55Å; M273-T276 PolarHBondContact O-N 3.06Å; M273-T276 VanDerWaalsContact O-N 3.08Å; M273-Q277 WeakPolarHBondContact O-CG 3.27Å; M273-Q277 PolarHBondContact O-N 3.35Å |
| 274 | L | 65.2 | Low | 65.2 | Low | 26 Ų | 26 | 41.3 Ų | 41.3 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.7 | -174.8 | 67.9 | 0 | 0 | 0 | 111.1 | A44 Y270 T276 Q277 L278 | A44-L274 HydrophobicContact CB-CG 4.34Å; Y270-L274 HydrophobicContact CE1-CB 4.43Å; Y270-L274 HydrophobicContact CE1-CD2 3.94Å; Y270-L274 VanDerWaalsContact O-CB 3.27Å; Y270-L274 WeakPolarHBondContact O-CB 3.25Å; Y270-L274 PolarHBondContact O-N 3Å; L274-T276 VanDerWaalsContact C-N 3.31Å; L274-T276 PolarHBondContact O-N 3.13Å; L274-Q277 PolarHBondContact O-N 2.84Å; L274-L278 HydrophobicContact CD1-CD1 3.63Å; L274-L278 HydrophobicContact CD1-CG 4.07Å; L274-L278 HydrophobicContact CG-CD1 3.89Å; L274-L278 HydrophobicContact CG-CG 4.46Å; L274-L278 WeakPolarHBondContact O-CB 3.23Å; L274-L278 PolarHBondContact O-N 3.34Å |
| 275 | C | 62.2 | Low | 64.6 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -36.5 | 174 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | S271 M273 Q277 N279 T284 | S271-C275 WeakPolarHBondContact O-CB 3.41Å; S271-C275 PolarHBondContact O-N 3.11Å; M273-C275 VanDerWaalsContact C-N 3.34Å; M273-C275 PolarHBondContact O-N 2.63Å; C275-Q277 VanDerWaalsContact C-N 3.33Å; C275-Q277 PolarHBondContact O-N 3.47Å; C275-N279 CarbonylContact O-C 3.29Å; C275-N279 VanDerWaalsContact O-C 3.29Å; C275-N279 WeakPolarHBondContact O-CA 3.46Å; C275-N279 WeakPolarHBondContact O-CB 3.48Å; C275-N279 PolarHBondContact O-N 3.15Å; C275-T284 PolarHBondContact SG-OG1 2.94Å |
| 276 | T | 61.4 | Low | 64.5 | Low | 63 Ų | 63 | 45.3 Ų | 45.3 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74.6 | -22.8 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | I272 M273 L274 N279 | I272-T276 VanDerWaalsContact O-CB 3.29Å; I272-T276 WeakPolarHBondContact O-CB 3.32Å; I272-T276 PolarHBondContact O-N 2.91Å; I272-T276 PolarHBondContact O-OG1 3.34Å; M273-T276 CarbonylContact O-C 3.55Å; M273-T276 PolarHBondContact O-N 3.06Å; M273-T276 VanDerWaalsContact O-N 3.08Å; L274-T276 VanDerWaalsContact C-N 3.31Å; L274-T276 PolarHBondContact O-N 3.13Å; T276-N279 CarbonylContact C-O 3.24Å; T276-N279 VanDerWaalsContact C-O 3.29Å |
| 277 | Q | 61.8 | Low | 64.3 | Low | 108 Ų | 108 | 43.9 Ų | 43.9 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -83.9 | -47.6 | 175.9 | -76.1 | -175.3 | -29.5 | 0 | 0 | 112.3 | Y216 M273 L274 C275 | Y216-Q277 PolarHBondContact OH-NE2 3.16Å; M273-Q277 WeakPolarHBondContact O-CG 3.27Å; M273-Q277 PolarHBondContact O-N 3.35Å; L274-Q277 PolarHBondContact O-N 2.84Å; C275-Q277 VanDerWaalsContact C-N 3.33Å; C275-Q277 PolarHBondContact O-N 3.47Å |
| 278 | L | 57.1 | Low | 63.9 | Low | 52 Ų | 52 | 42.8 Ų | 42.8 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -85.7 | -35.8 | -176.5 | -63.2 | -179.9 | 0 | 0 | 0 | 112 | P36 K41 A44 L274 | P36-L278 HydrophobicContact CB-CD2 3.98Å; P36-L278 HydrophobicContact CG-CD2 4.33Å; K41-L278 WeakPolarHBondContact CE-O 3.07Å; K41-L278 WeakPolarHBondContact CG-O 3.36Å; A44-L278 HydrophobicContact CB-CB 4.29Å; A44-L278 HydrophobicContact CB-CD1 4.03Å; L274-L278 HydrophobicContact CD1-CD1 3.63Å; L274-L278 HydrophobicContact CD1-CG 4.07Å; L274-L278 HydrophobicContact CG-CD1 3.89Å; L274-L278 HydrophobicContact CG-CG 4.46Å; L274-L278 WeakPolarHBondContact O-CB 3.23Å; L274-L278 PolarHBondContact O-N 3.34Å |
| 279 | N | 59 | Low | 63.8 | Low | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -105 | 157.4 | 172.7 | -60.7 | -50.7 | 0 | 0 | 0 | 111.5 | K41 C275 T276 T283 | K41-N279 VanDerWaalsContact CA-OD1 3.23Å; K41-N279 WeakPolarHBondContact CA-OD1 3.32Å; K41-N279 WeakPolarHBondContact CB-OD1 3.35Å; K41-N279 VanDerWaalsContact CG-OD1 3.24Å; K41-N279 WeakPolarHBondContact CG-OD1 3.4Å; K41-N279 PolarHBondContact O-ND2 3.19Å; K41-N279 PolarHBondContact O-OD1 3.42Å; C275-N279 CarbonylContact O-C 3.29Å; C275-N279 VanDerWaalsContact O-C 3.29Å; C275-N279 WeakPolarHBondContact O-CA 3.46Å; C275-N279 WeakPolarHBondContact O-CB 3.48Å; C275-N279 PolarHBondContact O-N 3.15Å; T276-N279 CarbonylContact C-O 3.24Å; T276-N279 VanDerWaalsContact C-O 3.29Å; N279-T283 HydrophobicContact CB-CG2 3.98Å |
| 280 | S | 60.5 | Low | 63.9 | Low | 61 Ų | 61 | 42.3 Ų | 42.3 | 43% | 0.427 | 24% | 0.238 | S | C | . | . | trans | -61 | 151.8 | 169.1 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | L282 T283 | S280-L282 PolarHBondContact O-N 3.48Å; S280-L282 PolarHBondContact OG-N 3.31Å; S280-T283 PolarHBondContact O-N 2.89Å | ||
| 281 | A | 56.2 | Low | 64 | Low | 58 Ų | 58 | 40.2 Ų | 40.2 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -48.2 | -25.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S285 | A281-S285 PolarHBondContact O-N 2.73Å |
| 282 | L | 57.1 | Low | 64.2 | Low | 15 Ų | 15 | 43.3 Ų | 43.3 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.5 | -55.5 | 169.2 | 175.4 | 73.4 | 0 | 0 | 0 | 114.7 | S280 T284 S285 I286 F331 | S280-L282 PolarHBondContact O-N 3.48Å; S280-L282 PolarHBondContact OG-N 3.31Å; L282-T284 PolarHBondContact O-N 2.88Å; L282-S285 WeakPolarHBondContact O-CA 3.32Å; L282-S285 VanDerWaalsContact O-CB 3.26Å; L282-S285 WeakPolarHBondContact O-CB 3.27Å; L282-S285 PolarHBondContact O-N 3.34Å; L282-I286 HydrophobicContact CD1-CD1 4Å; L282-I286 HydrophobicContact CD1-CG1 4.31Å; L282-I286 HydrophobicContact CD2-CD1 4.21Å; L282-I286 HydrophobicContact CG-CD1 3.9Å; L282-I286 HydrophobicContact CG-CG1 4.45Å; L282-I286 PolarHBondContact O-N 3.04Å; L282-F331 HydrophobicContact CD1-CB 3.37Å; L282-F331 HydrophobicContact CD1-CD2 3.98Å; L282-F331 HydrophobicContact CD1-CG 3.96Å; L282-F331 HydrophobicContact CD2-CB 4Å; L282-F331 HydrophobicContact CD2-CD1 4.42Å; L282-F331 HydrophobicContact CD2-CD2 2.92Å; L282-F331 HydrophobicContact CD2-CE2 3.23Å; L282-F331 HydrophobicContact CD2-CG 3.53Å; L282-F331 HydrophobicContact CD2-CZ 4.13Å; L282-F331 HydrophobicContact CG-CB 4.21Å; L282-F331 HydrophobicContact CG-CD2 3.9Å; L282-F331 HydrophobicContact CG-CG 4.29Å |
| 283 | T | 61.7 | Low | 64.8 | Low | 39 Ų | 39 | 42.4 Ų | 42.4 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | -169.4 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | A45 N279 S280 S285 I286 I287 | A45-T283 HydrophobicContact CB-CG2 4.05Å; N279-T283 HydrophobicContact CB-CG2 3.98Å; S280-T283 PolarHBondContact O-N 2.89Å; T283-S285 VanDerWaalsContact C-N 3.32Å; T283-S285 PolarHBondContact O-N 3.38Å; T283-I286 PolarHBondContact O-N 2.99Å; T283-I287 HydrophobicContact CG2-CD1 3.73Å; T283-I287 VanDerWaalsContact O-CD1 3.31Å; T283-I287 WeakPolarHBondContact O-CD1 3.45Å; T283-I287 VanDerWaalsContact O-CG1 3.24Å; T283-I287 WeakPolarHBondContact O-CG1 3.4Å; T283-I287 PolarHBondContact O-N 3.4Å |
| 284 | T | 64.2 | Low | 65.2 | Low | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 171.1 | -47.1 | 0 | 0 | 0 | 0 | 112 | Y48 C275 L282 G288 | Y48-T284 HydrophobicContact CD1-CG2 4.44Å; Y48-T284 HydrophobicContact CE1-CG2 4Å; C275-T284 PolarHBondContact SG-OG1 2.94Å; L282-T284 PolarHBondContact O-N 2.88Å; T284-G288 PolarHBondContact O-N 3.46Å |
| 285 | S | 63 | Low | 65.2 | Low | 52 Ų | 52 | 45.3 Ų | 45.3 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 176.1 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | A281 L282 T283 G288 C289 | A281-S285 PolarHBondContact O-N 2.73Å; L282-S285 WeakPolarHBondContact O-CA 3.32Å; L282-S285 VanDerWaalsContact O-CB 3.26Å; L282-S285 WeakPolarHBondContact O-CB 3.27Å; L282-S285 PolarHBondContact O-N 3.34Å; T283-S285 VanDerWaalsContact C-N 3.32Å; T283-S285 PolarHBondContact O-N 3.38Å; S285-G288 PolarHBondContact O-N 3.24Å; S285-C289 PolarHBondContact O-N 3.41Å |
| 286 | I | 66.3 | Low | 65.7 | Low | 60 Ų | 60 | 45.3 Ų | 45.3 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 179.9 | -65.7 | 171.9 | 0 | 0 | 0 | 110.8 | L282 T283 G288 C289 I290 | L282-I286 HydrophobicContact CD1-CD1 4Å; L282-I286 HydrophobicContact CD1-CG1 4.31Å; L282-I286 HydrophobicContact CD2-CD1 4.21Å; L282-I286 HydrophobicContact CG-CD1 3.9Å; L282-I286 HydrophobicContact CG-CG1 4.45Å; L282-I286 PolarHBondContact O-N 3.04Å; T283-I286 PolarHBondContact O-N 2.99Å; I286-G288 VanDerWaalsContact C-N 3.27Å; I286-G288 PolarHBondContact O-N 3.3Å; I286-C289 WeakPolarHBondContact O-CB 3.34Å; I286-C289 PolarHBondContact O-N 3Å; I286-C289 VanDerWaalsContact O-N 3.11Å; I286-I290 HydrophobicContact CG2-CD1 4.11Å; I286-I290 WeakPolarHBondContact O-CG1 3.39Å; I286-I290 PolarHBondContact O-N 3.5Å |
| 287 | I | 67.6 | Low | 66.3 | Low | 22 Ų | 22 | 46.1 Ų | 46.1 | 11% | 0.113 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -35 | 177.9 | -62.2 | 158.3 | 0 | 0 | 0 | 110.6 | A45 Y48 T283 I290 K291 | A45-I287 VanDerWaalsContact CA-CD1 3.46Å; A45-I287 HydrophobicContact CB-CD1 3.36Å; Y48-I287 HydrophobicContact CD1-CB 3.7Å; Y48-I287 HydrophobicContact CD1-CD1 4.1Å; Y48-I287 HydrophobicContact CD1-CG2 3.35Å; Y48-I287 HydrophobicContact CE1-CB 3.72Å; Y48-I287 HydrophobicContact CE1-CG2 3.56Å; Y48-I287 HydrophobicContact CG-CG2 4.41Å; T283-I287 HydrophobicContact CG2-CD1 3.73Å; T283-I287 VanDerWaalsContact O-CD1 3.31Å; T283-I287 WeakPolarHBondContact O-CD1 3.45Å; T283-I287 VanDerWaalsContact O-CG1 3.24Å; T283-I287 WeakPolarHBondContact O-CG1 3.4Å; T283-I287 PolarHBondContact O-N 3.4Å; I287-I290 PolarHBondContact O-N 2.94Å; I287-K291 WeakPolarHBondContact O-CB 3.44Å; I287-K291 PolarHBondContact O-N 3.31Å |
| 288 | G | 68.1 | Low | 66.7 | Low | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T284 S285 I286 K291 N292 | T284-G288 PolarHBondContact O-N 3.46Å; S285-G288 PolarHBondContact O-N 3.24Å; I286-G288 VanDerWaalsContact C-N 3.27Å; I286-G288 PolarHBondContact O-N 3.3Å; G288-K291 PolarHBondContact O-N 3.33Å; G288-N292 PolarHBondContact O-N 3.02Å; G288-N292 PolarHBondContact O-ND2 2.96Å; G288-N292 PolarHBondContact O-OD1 2.99Å |
| 289 | C | 70.2 | Confident | 67 | Low | 15 Ų | 15 | 41.8 Ų | 41.8 | 10% | 0.101 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 173.3 | -76.4 | 0 | 0 | 0 | 0 | 111.8 | S285 I286 K291 N292 I293 S327 | S285-C289 PolarHBondContact O-N 3.41Å; I286-C289 WeakPolarHBondContact O-CB 3.34Å; I286-C289 PolarHBondContact O-N 3Å; I286-C289 VanDerWaalsContact O-N 3.11Å; C289-K291 VanDerWaalsContact C-N 3.34Å; C289-K291 PolarHBondContact O-N 3.36Å; C289-N292 PolarHBondContact O-N 3.17Å; C289-N292 VanDerWaalsContact O-N 3.14Å; C289-I293 VanDerWaalsContact O-CG1 3.31Å; C289-I293 WeakPolarHBondContact O-CG1 3.46Å; C289-I293 PolarHBondContact O-N 3.47Å; C289-S327 PolarHBondContact SG-OG 2.61Å; C289-S327 VanDerWaalsContact SG-OG 3.39Å |
| 290 | I | 71.8 | Confident | 67.5 | Low | 81 Ų | 81 | 42.4 Ų | 42.4 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 177.9 | -66.8 | 168.4 | 0 | 0 | 0 | 110.8 | I286 I287 N292 I293 L294 | I286-I290 HydrophobicContact CG2-CD1 4.11Å; I286-I290 WeakPolarHBondContact O-CG1 3.39Å; I286-I290 PolarHBondContact O-N 3.5Å; I287-I290 PolarHBondContact O-N 2.94Å; I290-N292 VanDerWaalsContact C-N 3.32Å; I290-N292 PolarHBondContact O-N 3.24Å; I290-I293 WeakPolarHBondContact O-CB 3.48Å; I290-I293 PolarHBondContact O-N 3.39Å; I290-L294 HydrophobicContact CG2-CD1 4.24Å; I290-L294 WeakPolarHBondContact O-CG 3.44Å; I290-L294 PolarHBondContact O-N 3.16Å |
| 291 | K | 74 | Confident | 67.8 | Low | 58 Ų | 58 | 44.8 Ų | 44.8 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 174.6 | 179.7 | -156.7 | 72.9 | 179.3 | 0 | 111.4 | I287 G288 C289 I293 L294 V295 | I287-K291 WeakPolarHBondContact O-CB 3.44Å; I287-K291 PolarHBondContact O-N 3.31Å; G288-K291 PolarHBondContact O-N 3.33Å; C289-K291 VanDerWaalsContact C-N 3.34Å; C289-K291 PolarHBondContact O-N 3.36Å; K291-I293 VanDerWaalsContact C-N 3.28Å; K291-I293 PolarHBondContact O-N 3.12Å; K291-L294 PolarHBondContact O-N 3.44Å; K291-V295 HydrophobicContact CG-CG2 4.39Å; K291-V295 WeakPolarHBondContact O-CG2 3.14Å; K291-V295 PolarHBondContact O-N 3.24Å |
| 292 | N | 71.9 | Confident | 67.9 | Low | 66 Ų | 66 | 49.1 Ų | 49.1 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | -179.7 | -69.4 | -12.2 | 0 | 0 | 0 | 111.5 | G288 C289 I290 T296 | G288-N292 PolarHBondContact O-N 3.02Å; G288-N292 PolarHBondContact O-ND2 2.96Å; G288-N292 PolarHBondContact O-OD1 2.99Å; C289-N292 PolarHBondContact O-N 3.17Å; C289-N292 VanDerWaalsContact O-N 3.14Å; I290-N292 VanDerWaalsContact C-N 3.32Å; I290-N292 PolarHBondContact O-N 3.24Å; N292-T296 WeakPolarHBondContact O-CB 3.46Å; N292-T296 PolarHBondContact O-N 2.8Å; N292-T296 PolarHBondContact O-OG1 3Å |
| 293 | I | 77.3 | Confident | 67.9 | Low | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 174.1 | -65.2 | 167 | 0 | 0 | 0 | 110.2 | C289 I290 K291 V295 T296 Y297 I320 L324 | C289-I293 VanDerWaalsContact O-CG1 3.31Å; C289-I293 WeakPolarHBondContact O-CG1 3.46Å; C289-I293 PolarHBondContact O-N 3.47Å; I290-I293 WeakPolarHBondContact O-CB 3.48Å; I290-I293 PolarHBondContact O-N 3.39Å; K291-I293 VanDerWaalsContact C-N 3.28Å; K291-I293 PolarHBondContact O-N 3.12Å; I293-V295 PolarHBondContact O-N 2.96Å; I293-T296 WeakPolarHBondContact O-CB 3.46Å; I293-T296 PolarHBondContact O-N 3.1Å; I293-T296 VanDerWaalsContact O-N 3.13Å; I293-Y297 HydrophobicContact CG2-CD2 3.69Å; I293-Y297 HydrophobicContact CG2-CE2 3.56Å; I293-Y297 VanDerWaalsContact O-CD2 3.27Å; I293-Y297 WeakPolarHBondContact O-CD2 3.23Å; I293-Y297 PolarHBondContact O-N 3.04Å; I293-I320 HydrophobicContact CD1-CG2 3.48Å; I293-I320 VanDerWaalsContact CD1-CG2 3.48Å; I293-I320 HydrophobicContact CG1-CB 4.48Å; I293-I320 HydrophobicContact CG1-CD1 4.25Å; I293-I320 HydrophobicContact CG1-CG1 4.12Å; I293-I320 HydrophobicContact CG1-CG2 3.58Å; I293-I320 HydrophobicContact CG2-CD1 4.39Å; I293-L324 HydrophobicContact CD1-CD1 4.39Å; I293-L324 HydrophobicContact CD1-CD2 4.2Å; I293-L324 HydrophobicContact CD1-CG 4.42Å |
| 294 | L | 72.9 | Confident | 67.6 | Low | 84 Ų | 84 | 50.9 Ų | 50.9 | 44% | 0.44 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 179.6 | -69 | 174.4 | 0 | 0 | 0 | 112.2 | I290 K291 T296 Y297 I298 | I290-L294 HydrophobicContact CG2-CD1 4.24Å; I290-L294 WeakPolarHBondContact O-CG 3.44Å; I290-L294 PolarHBondContact O-N 3.16Å; K291-L294 PolarHBondContact O-N 3.44Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.08Å; L294-Y297 PolarHBondContact O-N 3.27Å; L294-I298 WeakPolarHBondContact O-CB 3.44Å; L294-I298 VanDerWaalsContact O-CG1 3.24Å; L294-I298 WeakPolarHBondContact O-CG1 3.12Å; L294-I298 PolarHBondContact O-N 2.92Å |
| 295 | V | 65.9 | Low | 67.3 | Low | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V56 K291 I293 G299 | V56-V295 HydrophobicContact CG1-CG2 4.39Å; V56-V295 HydrophobicContact CG2-CG2 4.47Å; K291-V295 HydrophobicContact CG-CG2 4.39Å; K291-V295 WeakPolarHBondContact O-CG2 3.14Å; K291-V295 PolarHBondContact O-N 3.24Å; I293-V295 PolarHBondContact O-N 2.96Å; V295-G299 PolarHBondContact O-N 3.37Å |
| 296 | T | 70.8 | Confident | 67.2 | Low | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -50.9 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | T135 N292 I293 L294 G299 M300 L316 | T135-T296 WeakPolarHBondContact CG2-OG1 3.34Å; N292-T296 WeakPolarHBondContact O-CB 3.46Å; N292-T296 PolarHBondContact O-N 2.8Å; N292-T296 PolarHBondContact O-OG1 3Å; I293-T296 WeakPolarHBondContact O-CB 3.46Å; I293-T296 PolarHBondContact O-N 3.1Å; I293-T296 VanDerWaalsContact O-N 3.13Å; L294-T296 VanDerWaalsContact C-N 3.26Å; L294-T296 PolarHBondContact O-N 3.08Å; T296-G299 PolarHBondContact O-N 3.38Å; T296-M300 HydrophobicContact CG2-CE 3.56Å; T296-M300 WeakPolarHBondContact O-CG 3.37Å; T296-M300 PolarHBondContact O-N 3.29Å; T296-L316 HydrophobicContact CG2-CD2 3.59Å |
| 297 | Y | 74.2 | Confident | 67 | Low | 80 Ų | 80 | 56.5 Ų | 56.5 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69 | -39.1 | -179.5 | -75.8 | -72.7 | 0 | 0 | 0 | 112.8 | I293 L294 G299 M300 V301 F313 N317 I320 | I293-Y297 HydrophobicContact CG2-CD2 3.69Å; I293-Y297 HydrophobicContact CG2-CE2 3.56Å; I293-Y297 VanDerWaalsContact O-CD2 3.27Å; I293-Y297 WeakPolarHBondContact O-CD2 3.23Å; I293-Y297 PolarHBondContact O-N 3.04Å; L294-Y297 PolarHBondContact O-N 3.27Å; Y297-G299 VanDerWaalsContact C-N 3.28Å; Y297-G299 PolarHBondContact O-N 2.91Å; Y297-M300 HydrophobicContact CD1-CE 4.34Å; Y297-M300 HydrophobicContact CE1-CE 4.5Å; Y297-M300 PolarHBondContact O-N 3.06Å; Y297-M300 VanDerWaalsContact O-N 3.16Å; Y297-V301 WeakPolarHBondContact O-CG2 3.44Å; Y297-V301 PolarHBondContact O-N 3.49Å; Y297-F313 AromaticContact CE1-CE2 3.97Å; Y297-F313 HydrophobicContact CE1-CE2 3.97Å; Y297-F313 HydrophobicContact CE1-CZ 4.48Å; Y297-N317 PolarHBondContact OH-OD1 3.07Å; Y297-I320 HydrophobicContact CE2-CD1 4.23Å |
| 298 | I | 70.4 | Confident | 66.9 | Low | 63 Ų | 63 | 60.3 Ų | 60.3 | 32% | 0.323 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 174.1 | -69.3 | 168.4 | 0 | 0 | 0 | 110.4 | F53 L294 M300 V301 F302 | F53-I298 HydrophobicContact CE2-CD1 3.42Å; F53-I298 VanDerWaalsContact CE2-CD1 3.42Å; F53-I298 HydrophobicContact CZ-CD1 3.92Å; L294-I298 WeakPolarHBondContact O-CB 3.44Å; L294-I298 VanDerWaalsContact O-CG1 3.24Å; L294-I298 WeakPolarHBondContact O-CG1 3.12Å; L294-I298 PolarHBondContact O-N 2.92Å; I298-M300 VanDerWaalsContact C-N 3.32Å; I298-M300 PolarHBondContact O-N 3.23Å; I298-V301 PolarHBondContact O-N 2.96Å; I298-F302 HydrophobicContact CG2-CD2 4Å; I298-F302 WeakPolarHBondContact O-CB 3.47Å; I298-F302 PolarHBondContact O-N 3.43Å |
| 299 | G | 64.5 | Low | 67.2 | Low | 5 Ų | 5 | 61.5 Ų | 61.5 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V295 T296 Y297 G303 | V295-G299 PolarHBondContact O-N 3.37Å; T296-G299 PolarHBondContact O-N 3.38Å; Y297-G299 VanDerWaalsContact C-N 3.28Å; Y297-G299 PolarHBondContact O-N 2.91Å; G299-G303 WeakPolarHBondContact O-CA 3.44Å; G299-G303 PolarHBondContact O-N 2.94Å |
| 300 | M | 68.8 | Low | 67.5 | Low | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.143 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 174.6 | -67.5 | -174 | -137.6 | 0 | 0 | 112.7 | P132 T296 Y297 I298 Y306 F313 L316 | P132-M300 HydrophobicContact CB-CG 4.25Å; P132-M300 HydrophobicContact CG-CG 3.72Å; T296-M300 HydrophobicContact CG2-CE 3.56Å; T296-M300 WeakPolarHBondContact O-CG 3.37Å; T296-M300 PolarHBondContact O-N 3.29Å; Y297-M300 HydrophobicContact CD1-CE 4.34Å; Y297-M300 HydrophobicContact CE1-CE 4.5Å; Y297-M300 PolarHBondContact O-N 3.06Å; Y297-M300 VanDerWaalsContact O-N 3.16Å; I298-M300 VanDerWaalsContact C-N 3.32Å; I298-M300 PolarHBondContact O-N 3.23Å; M300-Y306 HydrophobicContact CB-CD1 3.83Å; M300-Y306 HydrophobicContact CB-CE1 4.08Å; M300-Y306 HydrophobicContact CB-CG 4.46Å; M300-Y306 HydrophobicContact CG-CD1 3.75Å; M300-Y306 HydrophobicContact CG-CE1 3.68Å; M300-Y306 HydrophobicContact CG-CE2 4.49Å; M300-Y306 HydrophobicContact CG-CG 4.19Å; M300-Y306 HydrophobicContact SD-CD1 4.41Å; M300-Y306 HydrophobicContact SD-CE1 3.73Å; M300-F313 HydrophobicContact SD-CD2 4.36Å; M300-L316 HydrophobicContact CE-CD1 3.59Å; M300-L316 HydrophobicContact CE-CD2 4.11Å; M300-L316 HydrophobicContact CE-CG 4.32Å; M300-L316 HydrophobicContact SD-CD1 4.4Å |
| 301 | V | 67 | Low | 67.7 | Low | 111 Ų | 111 | 70.8 Ų | 70.8 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -82.5 | -37.8 | -174.9 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | Y297 I298 | Y297-V301 WeakPolarHBondContact O-CG2 3.44Å; Y297-V301 PolarHBondContact O-N 3.49Å; I298-V301 PolarHBondContact O-N 2.96Å |
| 302 | F | 58.8 | Low | 67.8 | Low | 148 Ų | 148 | 68.1 Ų | 68.1 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -114.3 | 4.3 | -173.7 | -66.4 | -85.3 | 0 | 0 | 0 | 113.9 | K60 I298 | K60-F302 PolarHBondContact NZ-O 3.25Å; I298-F302 HydrophobicContact CG2-CD2 4Å; I298-F302 WeakPolarHBondContact O-CB 3.47Å; I298-F302 PolarHBondContact O-N 3.43Å |
| 303 | G | 56.9 | Low | 68.1 | Low | 17 Ų | 17 | 67.9 Ų | 67.9 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | trans | -77 | -26.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G299 D305 | G299-G303 WeakPolarHBondContact O-CA 3.44Å; G299-G303 PolarHBondContact O-N 2.94Å; G303-D305 PolarHBondContact O-N 2.82Å | ||
| 304 | G | 56.2 | Low | 68.4 | Low | 74 Ų | 74 | 71 Ų | 71 | 76% | 0.763 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 69.9 | -34.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 305 | D | 56.9 | Low | 68.7 | Low | 117 Ų | 117 | 67 Ų | 67 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | trans | -92.3 | -1.7 | -173.5 | -53 | -41.8 | 0 | 0 | 0 | 113.9 | N130 G303 | N130-D305 VanDerWaalsContact CG-O 3.27Å; N130-D305 PolarHBondContact ND2-O 2.99Å; N130-D305 PolarHBondContact OD1-O 3.05Å; G303-D305 PolarHBondContact O-N 2.82Å | ||
| 306 | Y | 61.2 | Low | 69.3 | Low | 32 Ų | 32 | 65 Ų | 65 | 13% | 0.125 | 34% | 0.336 | C | S | . | . | trans | -88.2 | 115.6 | -177.3 | 179.6 | -111.2 | 0 | 0 | 0 | 112.6 | P132 M300 F308 N312 | P132-Y306 HydrophobicContact CB-CD2 4.04Å; P132-Y306 HydrophobicContact CB-CE2 4.04Å; P132-Y306 HydrophobicContact CG-CD2 3.57Å; P132-Y306 HydrophobicContact CG-CE2 4.03Å; P132-Y306 HydrophobicContact CG-CG 3.98Å; M300-Y306 HydrophobicContact CB-CD1 3.83Å; M300-Y306 HydrophobicContact CB-CE1 4.08Å; M300-Y306 HydrophobicContact CB-CG 4.46Å; M300-Y306 HydrophobicContact CG-CD1 3.75Å; M300-Y306 HydrophobicContact CG-CE1 3.68Å; M300-Y306 HydrophobicContact CG-CE2 4.49Å; M300-Y306 HydrophobicContact CG-CG 4.19Å; M300-Y306 HydrophobicContact SD-CD1 4.41Å; M300-Y306 HydrophobicContact SD-CE1 3.73Å; Y306-F308 HydrophobicContact CE1-CB 4.04Å; Y306-F308 HydrophobicContact CE1-CD2 4.07Å; Y306-N312 WeakPolarHBondContact CE2-OD1 3.32Å; Y306-N312 PolarHBondContact OH-OD1 3.39Å | ||
| 307 | I | 60.8 | Low | 70 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 51% | 0.508 | 35% | 0.348 | S | S | . | . | trans | -88.3 | 112.2 | 171.2 | -56.1 | 175 | 0 | 0 | 0 | 108.6 | L180 T309 | L180-I307 HydrophobicContact CB-CD1 4.5Å; L180-I307 HydrophobicContact CD1-CG2 3.91Å; I307-T309 PolarHBondContact O-N 3.16Å | ||
| 308 | F | 67.1 | Low | 70.5 | Confident | 103 Ų | 103 | 65.8 Ų | 65.8 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | trans | -70 | 122.7 | -179.6 | 178.3 | -92.6 | 0 | 0 | 0 | 111.5 | Y306 W310 F313 | Y306-F308 HydrophobicContact CE1-CB 4.04Å; Y306-F308 HydrophobicContact CE1-CD2 4.07Å; F308-W310 HydrophobicContact CE1-CD2 4.05Å; F308-W310 AromaticContact CE1-CE2 4Å; F308-W310 HydrophobicContact CE1-CG 4.31Å; F308-W310 HydrophobicContact CE1-CZ2 4.41Å; F308-W310 HydrophobicContact CZ-CD2 4.15Å; F308-W310 HydrophobicContact CZ-CE3 4.14Å; F308-W310 HydrophobicContact CZ-CZ3 4.35Å; F308-F313 HydrophobicContact CD2-CB 4.48Å; F308-F313 HydrophobicContact CE2-CB 3.7Å; F308-F313 AromaticContact CE2-CD2 3.75Å; F308-F313 HydrophobicContact CE2-CD2 3.75Å; F308-F313 AromaticContact CE2-CG 3.75Å; F308-F313 HydrophobicContact CE2-CG 3.75Å; F308-F313 HydrophobicContact CZ-CB 4.13Å; F308-F313 HydrophobicContact CZ-CG 4.26Å | ||
| 309 | T | 73.3 | Confident | 71 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | trans | -128.5 | 135.7 | 170.2 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | A178 L180 I307 L311 N312 F313 | A178-T309 HydrophobicContact CB-CG2 4.27Å; L180-T309 WeakPolarHBondContact CD1-OG1 3.37Å; I307-T309 PolarHBondContact O-N 3.16Å; T309-L311 VanDerWaalsContact C-N 3.27Å; T309-L311 HydrophobicContact CG2-CB 4.47Å; T309-L311 PolarHBondContact O-N 3.04Å; T309-N312 WeakPolarHBondContact O-CB 3.36Å; T309-N312 PolarHBondContact O-N 2.93Å; T309-F313 PolarHBondContact O-N 3.24Å | ||
| 310 | W | 76.8 | Confident | 71.8 | Confident | 194 Ų | 194 | 63.1 Ų | 63.1 | 74% | 0.735 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.2 | -39.5 | -179.1 | -79.1 | 108 | 0 | 0 | 0 | 113.9 | F308 L314 | F308-W310 HydrophobicContact CE1-CD2 4.05Å; F308-W310 AromaticContact CE1-CE2 4Å; F308-W310 HydrophobicContact CE1-CG 4.31Å; F308-W310 HydrophobicContact CE1-CZ2 4.41Å; F308-W310 HydrophobicContact CZ-CD2 4.15Å; F308-W310 HydrophobicContact CZ-CE3 4.14Å; F308-W310 HydrophobicContact CZ-CZ3 4.35Å; W310-L314 WeakPolarHBondContact O-CB 3.37Å; W310-L314 PolarHBondContact O-N 3.09Å |
| 311 | L | 76.1 | Confident | 72.6 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 51% | 0.508 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 176.2 | -72.1 | 174.3 | 0 | 0 | 0 | 112.3 | A178 T309 L314 G315 | A178-L311 HydrophobicContact CB-CB 3.43Å; A178-L311 VanDerWaalsContact CB-CB 3.43Å; A178-L311 HydrophobicContact CB-CD1 4.22Å; A178-L311 HydrophobicContact CB-CG 4.48Å; T309-L311 VanDerWaalsContact C-N 3.27Å; T309-L311 HydrophobicContact CG2-CB 4.47Å; T309-L311 PolarHBondContact O-N 3.04Å; L311-L314 PolarHBondContact O-N 3.48Å; L311-G315 PolarHBondContact O-N 3.44Å |
| 312 | N | 75.4 | Confident | 73.3 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 176 | -175.5 | -90.8 | 0 | 0 | 0 | 110.8 | M133 A175 Y306 T309 L314 G315 L316 | M133-N312 PolarHBondContact SD-ND2 3.22Å; A175-N312 PolarHBondContact O-ND2 2.96Å; Y306-N312 WeakPolarHBondContact CE2-OD1 3.32Å; Y306-N312 PolarHBondContact OH-OD1 3.39Å; T309-N312 WeakPolarHBondContact O-CB 3.36Å; T309-N312 PolarHBondContact O-N 2.93Å; N312-L314 PolarHBondContact O-N 2.76Å; N312-G315 PolarHBondContact O-N 3.37Å; N312-L316 WeakPolarHBondContact O-CB 3.17Å; N312-L316 WeakPolarHBondContact O-CD1 3.25Å; N312-L316 WeakPolarHBondContact O-CG 3.44Å; N312-L316 PolarHBondContact O-N 3.41Å; N312-L316 WeakPolarHBondContact OD1-CD1 3.43Å |
| 313 | F | 78.6 | Confident | 74.2 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.6 | -175 | -102.3 | 0 | 0 | 0 | 112.5 | Y297 M300 F308 T309 L316 N317 | Y297-F313 AromaticContact CE1-CE2 3.97Å; Y297-F313 HydrophobicContact CE1-CE2 3.97Å; Y297-F313 HydrophobicContact CE1-CZ 4.48Å; M300-F313 HydrophobicContact SD-CD2 4.36Å; F308-F313 HydrophobicContact CD2-CB 4.48Å; F308-F313 HydrophobicContact CE2-CB 3.7Å; F308-F313 AromaticContact CE2-CD2 3.75Å; F308-F313 HydrophobicContact CE2-CD2 3.75Å; F308-F313 AromaticContact CE2-CG 3.75Å; F308-F313 HydrophobicContact CE2-CG 3.75Å; F308-F313 HydrophobicContact CZ-CB 4.13Å; F308-F313 HydrophobicContact CZ-CG 4.26Å; T309-F313 PolarHBondContact O-N 3.24Å; F313-L316 WeakPolarHBondContact O-CB 3.45Å; F313-L316 PolarHBondContact O-N 2.98Å; F313-N317 WeakPolarHBondContact CD1-ND2 3.39Å; F313-N317 WeakPolarHBondContact CE1-ND2 3.39Å; F313-N317 VanDerWaalsContact CZ-ND2 3.34Å; F313-N317 WeakPolarHBondContact CZ-ND2 3.34Å; F313-N317 PolarHBondContact O-N 3.41Å; F313-N317 VanDerWaalsContact O-N 3.09Å; F313-N317 PolarHBondContact O-ND2 3Å |
| 314 | L | 84 | Confident | 75.4 | Confident | 96 Ų | 96 | 55.2 Ų | 55.2 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178 | -171.8 | 67.7 | 0 | 0 | 0 | 111.5 | W310 L311 N312 L316 N317 I318 | W310-L314 WeakPolarHBondContact O-CB 3.37Å; W310-L314 PolarHBondContact O-N 3.09Å; L311-L314 PolarHBondContact O-N 3.48Å; N312-L314 PolarHBondContact O-N 2.76Å; L314-L316 VanDerWaalsContact C-N 3.34Å; L314-L316 PolarHBondContact O-N 2.94Å; L314-N317 PolarHBondContact O-N 2.93Å; L314-I318 HydrophobicContact CG-CD1 4Å; L314-I318 VanDerWaalsContact O-CG1 3.31Å; L314-I318 WeakPolarHBondContact O-CG1 3.34Å; L314-I318 PolarHBondContact O-N 3.37Å |
| 315 | G | 79.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G171 L311 N312 N317 I318 S319 | G171-G315 CarbonylContact C-O 3.29Å; G171-G315 WeakPolarHBondContact CA-O 3.46Å; G171-G315 CarbonylContact O-C 3.33Å; G171-G315 VanDerWaalsContact O-C 3.24Å; G171-G315 WeakPolarHBondContact O-CA 3.49Å; G171-G315 VanDerWaalsContact O-O 3.13Å; L311-G315 PolarHBondContact O-N 3.44Å; N312-G315 PolarHBondContact O-N 3.37Å; G315-N317 PolarHBondContact O-N 2.85Å; G315-I318 PolarHBondContact O-N 3.09Å; G315-S319 WeakPolarHBondContact O-CB 3.13Å; G315-S319 PolarHBondContact O-N 3.02Å |
| 316 | L | 78.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 173.4 | -84.7 | 153.7 | 0 | 0 | 0 | 112 | P132 V136 T296 M300 N312 F313 L314 S319 I320 | P132-L316 HydrophobicContact CB-CD1 4.42Å; P132-L316 HydrophobicContact CB-CD2 4.48Å; V136-L316 HydrophobicContact CG2-CD2 3.09Å; V136-L316 HydrophobicContact CG2-CG 3.78Å; T296-L316 HydrophobicContact CG2-CD2 3.59Å; M300-L316 HydrophobicContact CE-CD1 3.59Å; M300-L316 HydrophobicContact CE-CD2 4.11Å; M300-L316 HydrophobicContact CE-CG 4.32Å; M300-L316 HydrophobicContact SD-CD1 4.4Å; N312-L316 WeakPolarHBondContact O-CB 3.17Å; N312-L316 WeakPolarHBondContact O-CD1 3.25Å; N312-L316 WeakPolarHBondContact O-CG 3.44Å; N312-L316 PolarHBondContact O-N 3.41Å; N312-L316 WeakPolarHBondContact OD1-CD1 3.43Å; F313-L316 WeakPolarHBondContact O-CB 3.45Å; F313-L316 PolarHBondContact O-N 2.98Å; L314-L316 VanDerWaalsContact C-N 3.34Å; L314-L316 PolarHBondContact O-N 2.94Å; L316-S319 PolarHBondContact O-N 3Å; L316-I320 VanDerWaalsContact O-CG1 3.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.19Å; L316-I320 PolarHBondContact O-N 2.84Å |
| 317 | N | 84.2 | Confident | 78.3 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.7 | -78.4 | -82.6 | 0 | 0 | 0 | 112.4 | Y297 F313 L314 G315 S319 I320 A321 | Y297-N317 PolarHBondContact OH-OD1 3.07Å; F313-N317 WeakPolarHBondContact CD1-ND2 3.39Å; F313-N317 WeakPolarHBondContact CE1-ND2 3.39Å; F313-N317 VanDerWaalsContact CZ-ND2 3.34Å; F313-N317 WeakPolarHBondContact CZ-ND2 3.34Å; F313-N317 PolarHBondContact O-N 3.41Å; F313-N317 VanDerWaalsContact O-N 3.09Å; F313-N317 PolarHBondContact O-ND2 3Å; L314-N317 PolarHBondContact O-N 2.93Å; G315-N317 PolarHBondContact O-N 2.85Å; N317-S319 VanDerWaalsContact C-N 3.28Å; N317-S319 PolarHBondContact O-N 3.49Å; N317-I320 PolarHBondContact O-N 3.37Å; N317-I320 VanDerWaalsContact O-N 3.16Å; N317-A321 WeakPolarHBondContact O-CB 3.42Å; N317-A321 PolarHBondContact O-N 3.39Å |
| 318 | I | 85.1 | Confident | 79.1 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 175.1 | -69.9 | 167.4 | 0 | 0 | 0 | 110.3 | T167 I174 L314 G315 I320 A321 G322 | T167-I318 HydrophobicContact CG2-CG2 4.15Å; I174-I318 HydrophobicContact CD1-CD1 4.09Å; L314-I318 HydrophobicContact CG-CD1 4Å; L314-I318 VanDerWaalsContact O-CG1 3.31Å; L314-I318 WeakPolarHBondContact O-CG1 3.34Å; L314-I318 PolarHBondContact O-N 3.37Å; G315-I318 PolarHBondContact O-N 3.09Å; I318-I320 VanDerWaalsContact C-N 3.34Å; I318-I320 PolarHBondContact O-N 3Å; I318-A321 PolarHBondContact O-N 3.37Å; I318-G322 PolarHBondContact O-N 2.96Å |
| 319 | S | 81.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -35.7 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | R139 M168 G315 L316 N317 G322 S323 | R139-S319 WeakPolarHBondContact CD-OG 3.36Å; R139-S319 PolarHBondContact NH1-O 3.36Å; R139-S319 PolarHBondContact NH1-OG 2.86Å; M168-S319 PolarHBondContact O-OG 3.25Å; G315-S319 WeakPolarHBondContact O-CB 3.13Å; G315-S319 PolarHBondContact O-N 3.02Å; L316-S319 PolarHBondContact O-N 3Å; N317-S319 VanDerWaalsContact C-N 3.28Å; N317-S319 PolarHBondContact O-N 3.49Å; S319-G322 PolarHBondContact O-N 3.07Å; S319-S323 PolarHBondContact O-N 2.81Å; S319-S323 VanDerWaalsContact O-N 3.15Å |
| 320 | I | 81.3 | Confident | 79.4 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -48.3 | 175.4 | -74.1 | 167 | 0 | 0 | 0 | 110.2 | R139 I293 Y297 L316 N317 I318 G322 S323 L324 | R139-I320 VanDerWaalsContact NH2-CG1 3.27Å; I293-I320 HydrophobicContact CD1-CG2 3.48Å; I293-I320 VanDerWaalsContact CD1-CG2 3.48Å; I293-I320 HydrophobicContact CG1-CB 4.48Å; I293-I320 HydrophobicContact CG1-CD1 4.25Å; I293-I320 HydrophobicContact CG1-CG1 4.12Å; I293-I320 HydrophobicContact CG1-CG2 3.58Å; I293-I320 HydrophobicContact CG2-CD1 4.39Å; Y297-I320 HydrophobicContact CE2-CD1 4.23Å; L316-I320 VanDerWaalsContact O-CG1 3.28Å; L316-I320 WeakPolarHBondContact O-CG1 3.19Å; L316-I320 PolarHBondContact O-N 2.84Å; N317-I320 PolarHBondContact O-N 3.37Å; N317-I320 VanDerWaalsContact O-N 3.16Å; I318-I320 VanDerWaalsContact C-N 3.34Å; I318-I320 PolarHBondContact O-N 3Å; I320-G322 VanDerWaalsContact C-N 3.3Å; I320-G322 PolarHBondContact O-N 3.43Å; I320-S323 WeakPolarHBondContact O-CB 3.32Å; I320-S323 PolarHBondContact O-N 3.12Å; I320-S323 PolarHBondContact O-OG 3.02Å; I320-L324 HydrophobicContact CG2-CD1 4.3Å; I320-L324 PolarHBondContact O-N 3.35Å; I320-L324 VanDerWaalsContact O-N 3.1Å |
| 321 | A | 84.8 | Confident | 79 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.1 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N317 I318 S323 L324 V325 | N317-A321 WeakPolarHBondContact O-CB 3.42Å; N317-A321 PolarHBondContact O-N 3.39Å; I318-A321 PolarHBondContact O-N 3.37Å; A321-S323 VanDerWaalsContact C-N 3.29Å; A321-S323 PolarHBondContact O-N 3.27Å; A321-L324 PolarHBondContact O-N 2.86Å; A321-V325 VanDerWaalsContact O-CG2 3.32Å; A321-V325 WeakPolarHBondContact O-CG2 3.31Å; A321-V325 PolarHBondContact O-N 2.63Å |
| 322 | G | 82.4 | Confident | 78.8 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | I318 S319 I320 V325 Y326 | I318-G322 PolarHBondContact O-N 2.96Å; S319-G322 PolarHBondContact O-N 3.07Å; I320-G322 VanDerWaalsContact C-N 3.3Å; I320-G322 PolarHBondContact O-N 3.43Å; G322-V325 PolarHBondContact O-N 3.32Å; G322-Y326 WeakPolarHBondContact O-CB 3.38Å; G322-Y326 PolarHBondContact O-N 3.44Å |
| 323 | S | 77.2 | Confident | 78.5 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 179.4 | 78 | 0 | 0 | 0 | 0 | 114.1 | M168 S319 I320 A321 S327 | M168-S323 VanDerWaalsContact SD-CA 3.59Å; S319-S323 PolarHBondContact O-N 2.81Å; S319-S323 VanDerWaalsContact O-N 3.15Å; I320-S323 WeakPolarHBondContact O-CB 3.32Å; I320-S323 PolarHBondContact O-N 3.12Å; I320-S323 PolarHBondContact O-OG 3.02Å; A321-S323 VanDerWaalsContact C-N 3.29Å; A321-S323 PolarHBondContact O-N 3.27Å; S323-S327 WeakPolarHBondContact O-CB 3.06Å; S323-S327 PolarHBondContact O-N 2.95Å; S323-S327 PolarHBondContact O-OG 3.21Å |
| 324 | L | 81.3 | Confident | 77.9 | Confident | 76 Ų | 76 | 45.8 Ų | 45.8 | 40% | 0.398 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69 | -45.6 | 175 | -68.4 | 173.5 | 0 | 0 | 0 | 110.6 | I293 I320 A321 Y326 S327 Y328 | I293-L324 HydrophobicContact CD1-CD1 4.39Å; I293-L324 HydrophobicContact CD1-CD2 4.2Å; I293-L324 HydrophobicContact CD1-CG 4.42Å; I320-L324 HydrophobicContact CG2-CD1 4.3Å; I320-L324 PolarHBondContact O-N 3.35Å; I320-L324 VanDerWaalsContact O-N 3.1Å; A321-L324 PolarHBondContact O-N 2.86Å; L324-Y326 PolarHBondContact O-N 2.92Å; L324-S327 PolarHBondContact O-N 3.4Å; L324-Y328 WeakPolarHBondContact O-CB 3.19Å; L324-Y328 PolarHBondContact O-N 3.17Å |
| 325 | V | 82.7 | Confident | 76.8 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 111 | T164 A321 G322 S327 Y328 I329 | T164-V325 HydrophobicContact CG2-CB 4.06Å; T164-V325 HydrophobicContact CG2-CG1 3.59Å; A321-V325 VanDerWaalsContact O-CG2 3.32Å; A321-V325 WeakPolarHBondContact O-CG2 3.31Å; A321-V325 PolarHBondContact O-N 2.63Å; G322-V325 PolarHBondContact O-N 3.32Å; V325-S327 PolarHBondContact O-N 2.93Å; V325-Y328 PolarHBondContact O-N 2.87Å; V325-I329 HydrophobicContact CG1-CD1 3.76Å; V325-I329 HydrophobicContact CG1-CG1 4.38Å; V325-I329 WeakPolarHBondContact O-CG1 3.45Å; V325-I329 PolarHBondContact O-N 3.45Å |
| 326 | Y | 78.3 | Confident | 75.8 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 173.2 | 171.8 | -90.2 | 0 | 0 | 0 | 112.1 | M146 I161 T164 V165 M168 G322 L324 Y328 I329 T330 | M146-Y326 HydrophobicContact CE-CE2 4.45Å; I161-Y326 HydrophobicContact CG2-CD2 3.82Å; I161-Y326 HydrophobicContact CG2-CE2 3.37Å; T164-Y326 WeakPolarHBondContact OG1-CD2 3.39Å; V165-Y326 HydrophobicContact CG2-CD2 3.69Å; V165-Y326 HydrophobicContact CG2-CE2 3.71Å; M168-Y326 HydrophobicContact CE-CD1 4.2Å; M168-Y326 HydrophobicContact CE-CD2 3.9Å; M168-Y326 HydrophobicContact CE-CG 3.52Å; G322-Y326 WeakPolarHBondContact O-CB 3.38Å; G322-Y326 PolarHBondContact O-N 3.44Å; L324-Y326 PolarHBondContact O-N 2.92Å; Y326-Y328 VanDerWaalsContact C-N 3.3Å; Y326-Y328 PolarHBondContact O-N 2.95Å; Y326-I329 PolarHBondContact O-N 3.41Å; Y326-T330 VanDerWaalsContact O-CB 3.31Å; Y326-T330 WeakPolarHBondContact O-CB 3.2Å; Y326-T330 PolarHBondContact O-N 3.48Å; Y326-T330 PolarHBondContact O-OG1 3.4Å |
| 327 | S | 74.4 | Confident | 74.5 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | C289 S323 L324 V325 F331 | C289-S327 PolarHBondContact SG-OG 2.61Å; C289-S327 VanDerWaalsContact SG-OG 3.39Å; S323-S327 WeakPolarHBondContact O-CB 3.06Å; S323-S327 PolarHBondContact O-N 2.95Å; S323-S327 PolarHBondContact O-OG 3.21Å; L324-S327 PolarHBondContact O-N 3.4Å; V325-S327 PolarHBondContact O-N 2.93Å; S327-F331 WeakPolarHBondContact O-CB 3.43Å; S327-F331 PolarHBondContact O-N 2.75Å |
| 328 | Y | 78.8 | Confident | 72.3 | Confident | 155 Ų | 155 | 65.7 Ų | 65.7 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.3 | -40.9 | 176.1 | -177.4 | -97.9 | 0 | 0 | 0 | 113.3 | L324 V325 Y326 F331 T332 | L324-Y328 WeakPolarHBondContact O-CB 3.19Å; L324-Y328 PolarHBondContact O-N 3.17Å; V325-Y328 PolarHBondContact O-N 2.87Å; Y326-Y328 VanDerWaalsContact C-N 3.3Å; Y326-Y328 PolarHBondContact O-N 2.95Å; Y328-F331 VanDerWaalsContact O-CB 3.22Å; Y328-F331 WeakPolarHBondContact O-CB 3.39Å; Y328-F331 PolarHBondContact O-N 3.46Å; Y328-T332 PolarHBondContact O-N 3.49Å; Y328-T332 VanDerWaalsContact O-N 3.14Å; Y328-T332 PolarHBondContact O-OG1 3.27Å; Y328-T332 VanDerWaalsContact O-OG1 3.07Å |
| 329 | I | 76.8 | Confident | 71.7 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.169 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.4 | -41.8 | 178.5 | -73.3 | 167.4 | 0 | 0 | 0 | 111.1 | I161 T164 V325 Y326 F331 T332 Q333 | I161-I329 HydrophobicContact CG1-CG2 3.87Å; T164-I329 HydrophobicContact CG2-CD1 3.58Å; V325-I329 HydrophobicContact CG1-CD1 3.76Å; V325-I329 HydrophobicContact CG1-CG1 4.38Å; V325-I329 WeakPolarHBondContact O-CG1 3.45Å; V325-I329 PolarHBondContact O-N 3.45Å; Y326-I329 PolarHBondContact O-N 3.41Å; I329-F331 PolarHBondContact O-N 3.32Å; I329-T332 PolarHBondContact O-N 2.98Å; I329-Q333 WeakPolarHBondContact O-CG 3.44Å; I329-Q333 PolarHBondContact O-N 3.37Å; I329-Q333 VanDerWaalsContact O-N 3.08Å |
| 330 | T | 69.2 | Low | 71.2 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.8 | -35.2 | 175.7 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | Y326 Q334 | Y326-T330 VanDerWaalsContact O-CB 3.31Å; Y326-T330 WeakPolarHBondContact O-CB 3.2Å; Y326-T330 PolarHBondContact O-N 3.48Å; Y326-T330 PolarHBondContact O-OG1 3.4Å; T330-Q334 WeakPolarHBondContact O-CG 3.34Å; T330-Q334 PolarHBondContact O-N 3.42Å; T330-Q334 VanDerWaalsContact O-N 3.15Å |
| 331 | F | 68.3 | Low | 70.6 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.1 | -58 | 170.9 | 176.4 | -136.3 | 0 | 0 | 0 | 113 | L282 S327 Y328 I329 Q333 Q334 Q335 | L282-F331 HydrophobicContact CD1-CB 3.37Å; L282-F331 HydrophobicContact CD1-CD2 3.98Å; L282-F331 HydrophobicContact CD1-CG 3.96Å; L282-F331 HydrophobicContact CD2-CB 4Å; L282-F331 HydrophobicContact CD2-CD1 4.42Å; L282-F331 HydrophobicContact CD2-CD2 2.92Å; L282-F331 HydrophobicContact CD2-CE2 3.23Å; L282-F331 HydrophobicContact CD2-CG 3.53Å; L282-F331 HydrophobicContact CD2-CZ 4.13Å; L282-F331 HydrophobicContact CG-CB 4.21Å; L282-F331 HydrophobicContact CG-CD2 3.9Å; L282-F331 HydrophobicContact CG-CG 4.29Å; S327-F331 WeakPolarHBondContact O-CB 3.43Å; S327-F331 PolarHBondContact O-N 2.75Å; Y328-F331 VanDerWaalsContact O-CB 3.22Å; Y328-F331 WeakPolarHBondContact O-CB 3.39Å; Y328-F331 PolarHBondContact O-N 3.46Å; I329-F331 PolarHBondContact O-N 3.32Å; F331-Q333 PolarHBondContact O-N 3.15Å; F331-Q334 PolarHBondContact O-N 2.86Å; F331-Q335 HydrophobicContact CD2-CG 3.98Å; F331-Q335 HydrophobicContact CE2-CG 3.64Å; F331-Q335 VanDerWaalsContact CE2-NE2 3.3Å; F331-Q335 HydrophobicContact CZ-CG 4.13Å; F331-Q335 PolarHBondContact O-N 3.01Å |
| 332 | T | 72 | Confident | 69.8 | Low | 58 Ų | 58 | 74.7 Ų | 74.7 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | -173.7 | -50.6 | 0 | 0 | 0 | 0 | 110.4 | Y328 I329 Q335 S336 | Y328-T332 PolarHBondContact O-N 3.49Å; Y328-T332 VanDerWaalsContact O-N 3.14Å; Y328-T332 PolarHBondContact O-OG1 3.27Å; Y328-T332 VanDerWaalsContact O-OG1 3.07Å; I329-T332 PolarHBondContact O-N 2.98Å; T332-Q335 PolarHBondContact O-N 3.23Å; T332-S336 PolarHBondContact O-N 3.16Å; T332-S336 PolarHBondContact O-OG 3.19Å |
| 333 | Q | 70 | Confident | 69 | Low | 68 Ų | 68 | 79.2 Ų | 79.2 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 176.5 | -71 | -177.5 | 13.7 | 0 | 0 | 113.6 | S158 I329 F331 Q335 S337 | S158-Q333 PolarHBondContact OG-NE2 3.01Å; S158-Q333 VanDerWaalsContact OG-NE2 3.09Å; I329-Q333 WeakPolarHBondContact O-CG 3.44Å; I329-Q333 PolarHBondContact O-N 3.37Å; I329-Q333 VanDerWaalsContact O-N 3.08Å; F331-Q333 PolarHBondContact O-N 3.15Å; Q333-Q335 VanDerWaalsContact C-N 3.33Å; Q333-S337 WeakPolarHBondContact O-CB 3.4Å; Q333-S337 PolarHBondContact O-N 3.19Å |
| 334 | Q | 64.3 | Low | 68.4 | Low | 83 Ų | 83 | 83.8 Ų | 83.8 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 174.7 | -78 | -176.4 | -1.5 | 0 | 0 | 112.6 | T330 F331 | T330-Q334 WeakPolarHBondContact O-CG 3.34Å; T330-Q334 PolarHBondContact O-N 3.42Å; T330-Q334 VanDerWaalsContact O-N 3.15Å; F331-Q334 PolarHBondContact O-N 2.86Å |
| 335 | Q | 62.6 | Low | 67.5 | Low | 115 Ų | 115 | 84.4 Ų | 84.4 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.6 | -40.5 | 175.5 | -72.9 | -163.5 | -35.4 | 0 | 0 | 112.4 | F331 T332 Q333 S337 K338 | F331-Q335 HydrophobicContact CD2-CG 3.98Å; F331-Q335 HydrophobicContact CE2-CG 3.64Å; F331-Q335 VanDerWaalsContact CE2-NE2 3.3Å; F331-Q335 HydrophobicContact CZ-CG 4.13Å; F331-Q335 PolarHBondContact O-N 3.01Å; T332-Q335 PolarHBondContact O-N 3.23Å; Q333-Q335 VanDerWaalsContact C-N 3.33Å; Q335-S337 PolarHBondContact O-N 3.47Å; Q335-K338 PolarHBondContact O-N 3.39Å |
| 336 | S | 58.1 | Low | 66.3 | Low | 101 Ų | 101 | 85.3 Ų | 85.3 | 71% | 0.706 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.1 | -17.9 | 177 | -58.8 | 0 | 0 | 0 | 0 | 114 | T332 | T332-S336 PolarHBondContact O-N 3.16Å; T332-S336 PolarHBondContact O-OG 3.19Å |
| 337 | S | 51 | Low | 65.3 | Low | 108 Ų | 108 | 88.1 Ų | 88.1 | 76% | 0.755 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.2 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 113.9 | Q333 Q335 | Q333-S337 WeakPolarHBondContact O-CB 3.4Å; Q333-S337 PolarHBondContact O-N 3.19Å; Q335-S337 PolarHBondContact O-N 3.47Å |
| 338 | K | 38.6 | Very low | 64.5 | Low | 241 Ų | 241 | 95.7 Ų | 95.7 | 100% | 1.048 | 49% | 0.485 | S | S | * | . | trans | -99.2 | 0 | 175.7 | -96.6 | -171.7 | 173.1 | -170.4 | 0 | 110.8 | Q335 | Q335-K338 PolarHBondContact O-N 3.39Š|
Retrieved 338 of 338 residues in 489.4 ms
(Link to these results)