| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.5 | Very low | 32.1 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 100% | 1.167 | 86% | 0.859 | S | S | * | * | 0 | 115.9 | 0 | -111 | 162.6 | 165.1 | 0 | 0 | 107.7 | |||||
| 2 | T | 33.1 | Very low | 32.7 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 85% | 0.854 | S | S | * | * | trans | 52.1 | 100.4 | 161.1 | 31.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3 | V | 27.8 | Very low | 32.5 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 84% | 0.842 | 84% | 0.843 | S | S | * | * | 72.2 | 107.4 | 60.8 | -175.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 4 | R | 31.2 | Very low | 32.3 | Very low | 243 Ų | 243 | 137.3 Ų | 137.3 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | trans | 174.4 | 111 | 133.1 | -101.6 | 177.2 | 165.1 | 171.4 | -4.4 | 106.8 | ||||
| 5 | G | 28.6 | Very low | 32.7 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | 75.8 | 117.5 | 71.1 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 6 | A | 31.4 | Very low | 32.3 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | cis | -162.3 | 137.5 | 38.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 7 | V | 32.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | 79 | 113.3 | 81.3 | 176.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 8 | L | 30.2 | Very low | 32 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | 66.4 | 131.2 | 146.6 | -102.4 | 78.1 | 0 | 0 | 0 | 125.5 | ||||
| 9 | A | 33.3 | Very low | 32 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 70% | 0.702 | 82% | 0.824 | S | S | * | * | trans | -74 | -172.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 10 | P | 40.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | cis | -141.1 | -175.6 | 9.8 | 37.2 | -12.5 | 0 | 0 | 0 | 117.5 | ||||
| 11 | D | 32.1 | Very low | 31.7 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -53.7 | 163.9 | 175.5 | -80.1 | -41 | 0 | 0 | 0 | 116.2 | ||||
| 12 | P | 38.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -154.8 | 174.9 | 45.2 | 39.6 | -15 | 0 | 0 | 0 | 121.3 | ||||
| 13 | A | 30.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | trans | 77 | 105.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 14 | S | 29.1 | Very low | 31.9 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 59.3 | 163.4 | 135.3 | 69.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 15 | P | 39 | Very low | 31.8 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | cis | -129.3 | -170.4 | -30.6 | 34.9 | -14.9 | 0 | 0 | 0 | 114.1 | ||||
| 16 | T | 26.7 | Very low | 32 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | 77.3 | 125 | 170.4 | 4.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 17 | T | 27.9 | Very low | 32.3 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -169 | 144.2 | 45.7 | -30.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 18 | A | 30.5 | Very low | 32.4 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 39.1 | 139.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 19 | A | 31.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | 91.3 | 82.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 20 | A | 30.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -149.8 | 111.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | S | 29.1 | Very low | 32.1 | Very low | 124 Ų | 124 | 118.6 Ų | 118.6 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -111 | 114.5 | 166.5 | 29.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 22 | P | 32.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -107 | 122.5 | 141.4 | 25.8 | -11.4 | 0 | 0 | 0 | 107.8 | V24 | P22-V24 PolarHBondContact O-N 3.31Š| ||
| 23 | S | 31.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 116.7 Ų | 116.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -56.2 | 98.5 | 178.9 | 24.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | V | 32.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -81.2 | 110 | 157.2 | 176.8 | 0 | 0 | 0 | 0 | 106.5 | P22 V26 | P22-V24 PolarHBondContact O-N 3.31Å; V24-V26 VanDerWaalsContact C-N 3.27Å; V24-V26 HydrophobicContact CG1-CG2 4.21Å; V24-V26 PolarHBondContact O-N 2.98Å | ||
| 25 | S | 31.1 | Very low | 33.2 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 87.4 | 170.8 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | I27 | S25-I27 PolarHBondContact O-N 3.37Š| ||
| 26 | V | 32.5 | Very low | 33.4 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 116.9 | 166.4 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | V24 P28 | V24-V26 VanDerWaalsContact C-N 3.27Å; V24-V26 HydrophobicContact CG1-CG2 4.21Å; V24-V26 PolarHBondContact O-N 2.98Å; V26-P28 WeakPolarHBondContact O-CD 3.38Å |
| 27 | I | 37.5 | Very low | 34.2 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.2 | 164.5 | -62.1 | 166.9 | 0 | 0 | 0 | 106.5 | S25 E29 | S25-I27 PolarHBondContact O-N 3.37Å; I27-E29 PolarHBondContact O-N 3.3Å |
| 28 | P | 33.5 | Very low | 35.4 | Very low | 109 Ų | 109 | 121 Ų | 121 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 126.2 | 173 | -9.3 | 25.9 | 0 | 0 | 0 | 108.9 | V26 | V26-P28 WeakPolarHBondContact O-CD 3.38Š|
| 29 | E | 31.8 | Very low | 37.1 | Very low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 148.8 | 165.2 | -77.3 | -180 | 114.1 | 0 | 0 | 111.8 | I27 | I27-E29 PolarHBondContact O-N 3.3Š|
| 30 | G | 36.4 | Very low | 39.2 | Very low | 74 Ų | 74 | 117.7 Ų | 117.7 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 135.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115 | P32 | G30-P32 WeakPolarHBondContact O-CD 3.18Š|
| 31 | S | 28.7 | Very low | 41.1 | Very low | 113 Ų | 113 | 113 Ų | 113 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 118.1 | 156.1 | 40.3 | 0 | 0 | 0 | 0 | 109.4 | T33 | S31-T33 PolarHBondContact O-N 3.28Š|
| 32 | P | 45.8 | Very low | 43 | Very low | 114 Ų | 114 | 110 Ų | 110 | 74% | 0.74 | 66% | 0.657 | S | S | * | * | trans | -88.1 | 99.4 | 164.5 | 31.3 | -21.5 | 0 | 0 | 0 | 107 | G30 | G30-P32 WeakPolarHBondContact O-CD 3.18Š| ||
| 33 | T | 37.8 | Very low | 45.3 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | 155.3 | 66.2 | 154.4 | 40.6 | 0 | 0 | 0 | 0 | 110.6 | S31 M35 | S31-T33 PolarHBondContact O-N 3.28Å; T33-M35 VanDerWaalsContact C-N 3.26Å; T33-M35 PolarHBondContact O-N 3.39Å | ||
| 34 | A | 34.5 | Very low | 47.6 | Very low | 95 Ų | 95 | 106 Ų | 106 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | trans | -68.4 | 104.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 104.2 | E36 | A34-E36 VanDerWaalsContact C-N 3.25Å; A34-E36 PolarHBondContact O-N 3.36Å | ||
| 35 | M | 35.9 | Very low | 50.1 | Low | 159 Ų | 159 | 102.9 Ų | 102.9 | 78% | 0.783 | 61% | 0.612 | S | S | * | * | trans | -57.7 | 97.4 | 168.3 | -78.9 | -172.7 | 64.7 | 0 | 0 | 107 | T33 Q37 | T33-M35 VanDerWaalsContact C-N 3.26Å; T33-M35 PolarHBondContact O-N 3.39Å; M35-Q37 VanDerWaalsContact C-N 3.3Å; M35-Q37 PolarHBondContact O-N 3.13Å | ||
| 36 | E | 43.2 | Very low | 52.6 | Low | 132 Ų | 132 | 97.6 Ų | 97.6 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | trans | -54.9 | 101.7 | 161.2 | -76.4 | -175.2 | 135.6 | 0 | 0 | 105.4 | A34 P38 S280 | A34-E36 VanDerWaalsContact C-N 3.25Å; A34-E36 PolarHBondContact O-N 3.36Å; E36-P38 VanDerWaalsContact O-CD 3.28Å; E36-P38 WeakPolarHBondContact O-CD 3.47Å; E36-P38 VanDerWaalsContact O-N 3.12Å; E36-S280 VanDerWaalsContact OE1-CB 3.25Å; E36-S280 WeakPolarHBondContact OE1-CB 3.37Å; E36-S280 PolarHBondContact OE1-OG 2.89Å | ||
| 37 | Q | 43.9 | Very low | 55.1 | Low | 177 Ų | 177 | 94.7 Ų | 94.7 | 83% | 0.827 | 55% | 0.554 | S | S | * | * | trans | -60.9 | 118.1 | 174.2 | -77.6 | 177.3 | -11.6 | 0 | 0 | 106.3 | M35 V39 | M35-Q37 VanDerWaalsContact C-N 3.3Å; M35-Q37 PolarHBondContact O-N 3.13Å; Q37-V39 PolarHBondContact O-N 3.21Å | ||
| 38 | P | 53.5 | Low | 57.5 | Low | 88 Ų | 88 | 90.5 Ų | 90.5 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | trans | -58.5 | 134.4 | 175.5 | 24.1 | -31.5 | 0 | 0 | 0 | 107.5 | E36 F40 M42 T43 | E36-P38 VanDerWaalsContact O-CD 3.28Å; E36-P38 WeakPolarHBondContact O-CD 3.47Å; E36-P38 VanDerWaalsContact O-N 3.12Å; P38-F40 PolarHBondContact O-N 3.23Å; P38-M42 HydrophobicContact CB-CB 4.48Å; P38-T43 HydrophobicContact CG-CG2 4.45Å | ||
| 39 | V | 64.9 | Low | 60.2 | Low | 29 Ų | 29 | 89 Ų | 89 | 18% | 0.176 | 53% | 0.527 | C | S | . | . | trans | -43.5 | 133.1 | 171.7 | -177 | 0 | 0 | 0 | 0 | 108.1 | Q37 L41 M42 I278 V290 | Q37-V39 PolarHBondContact O-N 3.21Å; V39-L41 HydrophobicContact CG1-CB 4.04Å; V39-L41 HydrophobicContact CG1-CD1 4.18Å; V39-L41 HydrophobicContact CG1-CG 4.23Å; V39-L41 PolarHBondContact O-N 3.29Å; V39-M42 HydrophobicContact CB-CG 4.24Å; V39-M42 WeakPolarHBondContact O-CA 3.48Å; V39-M42 WeakPolarHBondContact O-CB 3.48Å; V39-M42 PolarHBondContact O-N 3.01Å; V39-I278 HydrophobicContact CG2-CD1 3.22Å; V39-V290 HydrophobicContact CG1-CG1 4.43Å | ||
| 40 | F | 75.8 | Confident | 63 | Low | 102 Ų | 102 | 79.9 Ų | 79.9 | 45% | 0.447 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -46.7 | -36.7 | -178.1 | 171.8 | -100.1 | 0 | 0 | 0 | 112.4 | P38 M42 T43 A46 Y294 F297 | P38-F40 PolarHBondContact O-N 3.23Å; F40-M42 VanDerWaalsContact C-N 3.32Å; F40-M42 PolarHBondContact O-N 3.19Å; F40-T43 WeakPolarHBondContact O-CB 3.49Å; F40-T43 WeakPolarHBondContact O-CG2 3.31Å; F40-T43 PolarHBondContact O-N 3.18Å; F40-T43 VanDerWaalsContact O-N 3.13Å; F40-T43 PolarHBondContact O-OG1 2.97Å; F40-A46 HydrophobicContact CD1-CB 4.34Å; F40-A46 HydrophobicContact CE1-CB 4.03Å; F40-A46 HydrophobicContact CZ-CB 4.22Å; F40-A46 VanDerWaalsContact O-CB 3.24Å; F40-A46 WeakPolarHBondContact O-CB 3.34Å; F40-Y294 HydrophobicContact CD1-CE1 4.25Å; F40-F297 HydrophobicContact CE1-CE1 4.38Å; F40-F297 HydrophobicContact CE1-CZ 4.3Å |
| 41 | L | 70.8 | Confident | 65.6 | Low | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -62.2 | -30.4 | 176.4 | -62.7 | 169 | 0 | 0 | 0 | 114.7 | V39 T43 L99 Y294 F297 | V39-L41 HydrophobicContact CG1-CB 4.04Å; V39-L41 HydrophobicContact CG1-CD1 4.18Å; V39-L41 HydrophobicContact CG1-CG 4.23Å; V39-L41 PolarHBondContact O-N 3.29Å; L41-T43 VanDerWaalsContact C-N 3.3Å; L41-L99 HydrophobicContact CD2-CD2 4.22Å; L41-Y294 HydrophobicContact CD1-CD1 4.35Å; L41-Y294 HydrophobicContact CD1-CD2 3.58Å; L41-Y294 HydrophobicContact CD1-CE1 4.48Å; L41-Y294 HydrophobicContact CD1-CE2 3.71Å; L41-Y294 HydrophobicContact CD1-CG 3.91Å; L41-Y294 HydrophobicContact CD2-CD1 4.02Å; L41-Y294 HydrophobicContact CD2-CE1 4.22Å; L41-Y294 HydrophobicContact CD2-CG 4.27Å; L41-Y294 HydrophobicContact CG-CD1 4.29Å; L41-Y294 HydrophobicContact CG-CD2 4.29Å; L41-Y294 HydrophobicContact CG-CE1 4.16Å; L41-Y294 HydrophobicContact CG-CE2 4.14Å; L41-Y294 HydrophobicContact CG-CG 4.35Å; L41-F297 HydrophobicContact CD2-CB 3.87Å; L41-F297 HydrophobicContact CD2-CG 4.35Å |
| 42 | M | 68.8 | Low | 68.7 | Low | 63 Ų | 63 | 77.9 Ų | 77.9 | 31% | 0.31 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -83.7 | -5.5 | 177.1 | -64.8 | -65 | 101.1 | 0 | 0 | 112.6 | P38 V39 F40 F102 | P38-M42 HydrophobicContact CB-CB 4.48Å; V39-M42 HydrophobicContact CB-CG 4.24Å; V39-M42 WeakPolarHBondContact O-CA 3.48Å; V39-M42 WeakPolarHBondContact O-CB 3.48Å; V39-M42 PolarHBondContact O-N 3.01Å; F40-M42 VanDerWaalsContact C-N 3.32Å; F40-M42 PolarHBondContact O-N 3.19Å; M42-F102 HydrophobicContact CE-CB 3.43Å; M42-F102 VanDerWaalsContact CE-CB 3.43Å; M42-F102 HydrophobicContact CE-CD1 3.29Å; M42-F102 HydrophobicContact CE-CD2 4.03Å; M42-F102 HydrophobicContact CE-CE1 3.98Å; M42-F102 HydrophobicContact CE-CG 3.3Å; M42-F102 HydrophobicContact SD-CB 4.41Å; M42-F102 HydrophobicContact SD-CD1 3.97Å; M42-F102 HydrophobicContact SD-CG 4.43Å |
| 43 | T | 81.4 | Confident | 71 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -73.4 | 140.1 | 177.4 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | P38 F40 L41 A45 A46 Q47 | P38-T43 HydrophobicContact CG-CG2 4.45Å; F40-T43 WeakPolarHBondContact O-CB 3.49Å; F40-T43 WeakPolarHBondContact O-CG2 3.31Å; F40-T43 PolarHBondContact O-N 3.18Å; F40-T43 VanDerWaalsContact O-N 3.13Å; F40-T43 PolarHBondContact O-OG1 2.97Å; L41-T43 VanDerWaalsContact C-N 3.3Å; T43-A45 PolarHBondContact O-N 3.39Å; T43-A45 VanDerWaalsContact O-N 3.12Å; T43-A46 PolarHBondContact O-N 3.05Å; T43-A46 VanDerWaalsContact O-N 3.1Å; T43-A46 PolarHBondContact OG1-N 3.09Å; T43-Q47 PolarHBondContact O-N 2.96Å |
| 44 | T | 80.6 | Confident | 73.6 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.5 | -28.6 | 175.2 | -40 | 0 | 0 | 0 | 0 | 111.7 | A48 | T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 3.24Å |
| 45 | A | 84.5 | Confident | 76.5 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T43 Q47 A48 I49 | T43-A45 PolarHBondContact O-N 3.39Å; T43-A45 VanDerWaalsContact O-N 3.12Å; A45-Q47 PolarHBondContact O-N 3.27Å; A45-A48 PolarHBondContact O-N 3.39Å; A45-I49 WeakPolarHBondContact O-CB 3.47Å; A45-I49 WeakPolarHBondContact O-CD1 2.9Å; A45-I49 WeakPolarHBondContact O-CG1 3.32Å; A45-I49 PolarHBondContact O-N 3.12Å |
| 46 | A | 82.9 | Confident | 79.3 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | F40 T43 S50 F297 | F40-A46 HydrophobicContact CD1-CB 4.34Å; F40-A46 HydrophobicContact CE1-CB 4.03Å; F40-A46 HydrophobicContact CZ-CB 4.22Å; F40-A46 VanDerWaalsContact O-CB 3.24Å; F40-A46 WeakPolarHBondContact O-CB 3.34Å; T43-A46 PolarHBondContact O-N 3.05Å; T43-A46 VanDerWaalsContact O-N 3.1Å; T43-A46 PolarHBondContact OG1-N 3.09Å; A46-S50 WeakPolarHBondContact O-CB 3.09Å; A46-S50 PolarHBondContact O-N 3.42Å; A46-S50 PolarHBondContact O-OG 3.43Å; A46-F297 HydrophobicContact CB-CE2 4.25Å |
| 47 | Q | 84.5 | Confident | 81.7 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 175.7 | -67.9 | -178.5 | -17.5 | 0 | 0 | 112.6 | T43 A45 S50 G51 | T43-Q47 PolarHBondContact O-N 2.96Å; A45-Q47 PolarHBondContact O-N 3.27Å; Q47-S50 WeakPolarHBondContact CA-OG 3.22Å; Q47-S50 PolarHBondContact O-OG 3.48Å; Q47-G51 PolarHBondContact O-N 2.72Å |
| 48 | A | 88.6 | Confident | 84.1 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T44 A45 G51 F52 | T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 3.24Å; A45-A48 PolarHBondContact O-N 3.39Å; A48-G51 PolarHBondContact O-N 3.26Å; A48-F52 WeakPolarHBondContact O-CB 3.29Å; A48-F52 PolarHBondContact O-N 3.05Å |
| 49 | I | 90.7 | Very high | 86.1 | Confident | 76 Ų | 76 | 53 Ų | 53 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 178 | -69 | 165.1 | 0 | 0 | 0 | 110.4 | A45 G51 F52 F53 F297 | A45-I49 WeakPolarHBondContact O-CB 3.47Å; A45-I49 WeakPolarHBondContact O-CD1 2.9Å; A45-I49 WeakPolarHBondContact O-CG1 3.32Å; A45-I49 PolarHBondContact O-N 3.12Å; I49-G51 VanDerWaalsContact C-N 3.35Å; I49-G51 PolarHBondContact O-N 3.23Å; I49-F52 PolarHBondContact O-N 3.23Å; I49-F53 HydrophobicContact CG2-CD2 3.8Å; I49-F53 HydrophobicContact CG2-CE2 3.63Å; I49-F53 WeakPolarHBondContact O-CD2 3.37Å; I49-F53 PolarHBondContact O-N 3.45Å; I49-F53 VanDerWaalsContact O-N 3.12Å; I49-F297 HydrophobicContact CG2-CZ 4.41Å |
| 50 | S | 89.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.6 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | A46 Q47 F52 F53 V54 | A46-S50 WeakPolarHBondContact O-CB 3.09Å; A46-S50 PolarHBondContact O-N 3.42Å; A46-S50 PolarHBondContact O-OG 3.43Å; Q47-S50 WeakPolarHBondContact CA-OG 3.22Å; Q47-S50 PolarHBondContact O-OG 3.48Å; S50-F52 PolarHBondContact O-N 2.79Å; S50-F53 PolarHBondContact O-N 3.32Å; S50-V54 WeakPolarHBondContact O-CB 3.27Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 2.99Å |
| 51 | G | 91.1 | Very high | 88.3 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q47 A48 I49 F53 V54 W55 | Q47-G51 PolarHBondContact O-N 2.72Å; A48-G51 PolarHBondContact O-N 3.26Å; I49-G51 VanDerWaalsContact C-N 3.35Å; I49-G51 PolarHBondContact O-N 3.23Å; G51-F53 PolarHBondContact O-N 3.3Å; G51-V54 PolarHBondContact O-N 3.19Å; G51-W55 WeakPolarHBondContact O-CB 3.17Å; G51-W55 PolarHBondContact O-N 3.5Å |
| 52 | F | 93.9 | Very high | 89.3 | Confident | 138 Ų | 138 | 51.2 Ų | 51.2 | 61% | 0.605 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.9 | -47.1 | 177.4 | 174.8 | -97.1 | 0 | 0 | 0 | 112.5 | A48 I49 S50 T56 | A48-F52 WeakPolarHBondContact O-CB 3.29Å; A48-F52 PolarHBondContact O-N 3.05Å; I49-F52 PolarHBondContact O-N 3.23Å; S50-F52 PolarHBondContact O-N 2.79Å; F52-T56 WeakPolarHBondContact O-CB 3.15Å; F52-T56 PolarHBondContact O-N 3.46Å; F52-T56 PolarHBondContact O-OG1 3.47Å |
| 53 | F | 93.5 | Very high | 90.5 | Very high | 47 Ų | 47 | 52 Ų | 52 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.7 | -78.7 | -67.1 | 0 | 0 | 0 | 111.9 | I49 S50 G51 T56 A57 V301 F304 | I49-F53 HydrophobicContact CG2-CD2 3.8Å; I49-F53 HydrophobicContact CG2-CE2 3.63Å; I49-F53 WeakPolarHBondContact O-CD2 3.37Å; I49-F53 PolarHBondContact O-N 3.45Å; I49-F53 VanDerWaalsContact O-N 3.12Å; S50-F53 PolarHBondContact O-N 3.32Å; G51-F53 PolarHBondContact O-N 3.3Å; F53-T56 PolarHBondContact O-N 2.87Å; F53-A57 WeakPolarHBondContact O-CB 3.3Å; F53-A57 PolarHBondContact O-N 3.18Å; F53-V301 HydrophobicContact CD2-CG2 3.97Å; F53-V301 HydrophobicContact CE2-CG2 4.26Å; F53-V301 HydrophobicContact CG-CG2 4.5Å; F53-F304 HydrophobicContact CB-CB 4.3Å; F53-F304 HydrophobicContact CD1-CB 3.89Å; F53-F304 AromaticContact CD1-CD1 3.8Å; F53-F304 HydrophobicContact CD1-CD1 3.8Å; F53-F304 HydrophobicContact CD1-CD2 4.34Å; F53-F304 HydrophobicContact CD1-CE1 4.44Å; F53-F304 AromaticContact CD1-CG 3.74Å; F53-F304 HydrophobicContact CD1-CG 3.74Å; F53-F304 AromaticContact CE1-CD1 3.98Å; F53-F304 HydrophobicContact CE1-CD1 3.98Å; F53-F304 HydrophobicContact CE1-CE1 4.3Å; F53-F304 HydrophobicContact CE1-CG 4.37Å |
| 54 | V | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -50.4 | -179.7 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | S50 G51 T56 A57 L58 A92 W96 C300 | S50-V54 WeakPolarHBondContact O-CB 3.27Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 2.99Å; G51-V54 PolarHBondContact O-N 3.19Å; V54-T56 VanDerWaalsContact C-N 3.29Å; V54-T56 PolarHBondContact O-N 3.47Å; V54-A57 WeakPolarHBondContact O-CB 3.4Å; V54-A57 PolarHBondContact O-N 3.07Å; V54-L58 HydrophobicContact CG1-CD1 4.08Å; V54-L58 HydrophobicContact CG1-CG 4.41Å; V54-L58 WeakPolarHBondContact O-CB 3.25Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.27Å; V54-L58 PolarHBondContact O-N 3.35Å; V54-A92 HydrophobicContact CB-CB 4.46Å; V54-A92 HydrophobicContact CG1-CB 4.01Å; V54-A92 WeakPolarHBondContact CG1-O 3.07Å; V54-A92 HydrophobicContact CG2-CB 4.22Å; V54-A92 WeakPolarHBondContact CG2-O 3.37Å; V54-W96 HydrophobicContact CB-CB 4.35Å; V54-W96 HydrophobicContact CB-CG 4.44Å; V54-W96 HydrophobicContact CG1-CB 3.99Å; V54-W96 HydrophobicContact CG1-CD2 4.46Å; V54-W96 HydrophobicContact CG1-CG 4.24Å; V54-W96 HydrophobicContact CG2-CB 3.9Å; V54-W96 HydrophobicContact CG2-CG 4.32Å; V54-C300 HydrophobicContact CG2-CB 3.68Å |
| 55 | W | 94.8 | Very high | 91.4 | Very high | 137 Ų | 137 | 45.5 Ų | 45.5 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -38.7 | 178.2 | -82.2 | 106.3 | 0 | 0 | 0 | 112.2 | G51 L58 L59 W96 | G51-W55 WeakPolarHBondContact O-CB 3.17Å; G51-W55 PolarHBondContact O-N 3.5Å; W55-L58 HydrophobicContact CE3-CD1 4.25Å; W55-L58 PolarHBondContact O-N 3.01Å; W55-L59 VanDerWaalsContact O-CG 3.31Å; W55-L59 WeakPolarHBondContact O-CG 3.4Å; W55-L59 PolarHBondContact O-N 3.43Å; W55-W96 HydrophobicContact CZ2-CH2 4.38Å; W55-W96 HydrophobicContact CZ2-CZ3 4.4Å; W55-W96 AromaticContact NE1-CH2 3.6Å; W55-W96 AromaticContact NE1-CZ2 3.91Å |
| 56 | T | 94.8 | Very high | 91.6 | Very high | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | F52 F53 V54 L58 L59 I60 F304 | F52-T56 WeakPolarHBondContact O-CB 3.15Å; F52-T56 PolarHBondContact O-N 3.46Å; F52-T56 PolarHBondContact O-OG1 3.47Å; F53-T56 PolarHBondContact O-N 2.87Å; V54-T56 VanDerWaalsContact C-N 3.29Å; V54-T56 PolarHBondContact O-N 3.47Å; T56-L58 VanDerWaalsContact C-N 3.35Å; T56-L58 PolarHBondContact O-N 3.05Å; T56-L59 PolarHBondContact O-N 3.2Å; T56-I60 HydrophobicContact CG2-CD1 4Å; T56-I60 VanDerWaalsContact O-CG1 3.29Å; T56-I60 WeakPolarHBondContact O-CG1 3.44Å; T56-I60 PolarHBondContact O-N 3.37Å; T56-F304 HydrophobicContact CG2-CD2 3.98Å; T56-F304 HydrophobicContact CG2-CE2 3.59Å |
| 57 | A | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F53 V54 I60 T61 V88 F304 A307 | F53-A57 WeakPolarHBondContact O-CB 3.3Å; F53-A57 PolarHBondContact O-N 3.18Å; V54-A57 WeakPolarHBondContact O-CB 3.4Å; V54-A57 PolarHBondContact O-N 3.07Å; A57-I60 PolarHBondContact O-N 3.43Å; A57-T61 WeakPolarHBondContact O-CB 3.27Å; A57-T61 PolarHBondContact O-N 2.87Å; A57-T61 PolarHBondContact O-OG1 2.96Å; A57-T61 VanDerWaalsContact O-OG1 3.06Å; A57-V88 HydrophobicContact CB-CG1 4.12Å; A57-F304 HydrophobicContact CB-CB 4.3Å; A57-A307 HydrophobicContact CB-CB 4.22Å |
| 58 | L | 94.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 175.1 | -73.1 | 176.3 | 0 | 0 | 0 | 111.4 | V54 W55 T56 I60 T61 C62 P89 | V54-L58 HydrophobicContact CG1-CD1 4.08Å; V54-L58 HydrophobicContact CG1-CG 4.41Å; V54-L58 WeakPolarHBondContact O-CB 3.25Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.27Å; V54-L58 PolarHBondContact O-N 3.35Å; W55-L58 HydrophobicContact CE3-CD1 4.25Å; W55-L58 PolarHBondContact O-N 3.01Å; T56-L58 VanDerWaalsContact C-N 3.35Å; T56-L58 PolarHBondContact O-N 3.05Å; L58-I60 PolarHBondContact O-N 3.09Å; L58-T61 PolarHBondContact O-N 3.36Å; L58-C62 WeakPolarHBondContact O-CB 3.35Å; L58-C62 PolarHBondContact O-N 3.35Å; L58-C62 PolarHBondContact O-SG 2.91Å; L58-P89 VanDerWaalsContact CD2-CA 3.46Å; L58-P89 HydrophobicContact CD2-CB 3.37Å |
| 59 | L | 95.1 | Very high | 91.8 | Very high | 120 Ų | 120 | 44 Ų | 44 | 63% | 0.628 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.2 | -43.3 | 179.1 | -72.4 | 173.6 | 0 | 0 | 0 | 112.1 | W55 T56 H63 | W55-L59 VanDerWaalsContact O-CG 3.31Å; W55-L59 WeakPolarHBondContact O-CG 3.4Å; W55-L59 PolarHBondContact O-N 3.43Å; T56-L59 PolarHBondContact O-N 3.2Å; L59-H63 VanDerWaalsContact O-CB 3.24Å; L59-H63 WeakPolarHBondContact O-CB 3.23Å; L59-H63 PolarHBondContact O-N 2.98Å |
| 60 | I | 93.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 177.8 | -69.4 | 165.5 | 0 | 0 | 0 | 110.5 | T56 A57 L58 H63 Q64 F304 A307 L308 R311 | T56-I60 HydrophobicContact CG2-CD1 4Å; T56-I60 VanDerWaalsContact O-CG1 3.29Å; T56-I60 WeakPolarHBondContact O-CG1 3.44Å; T56-I60 PolarHBondContact O-N 3.37Å; A57-I60 PolarHBondContact O-N 3.43Å; L58-I60 PolarHBondContact O-N 3.09Å; I60-H63 PolarHBondContact O-N 2.75Å; I60-Q64 PolarHBondContact O-N 3.45Å; I60-F304 HydrophobicContact CD1-CD2 4.34Å; I60-F304 HydrophobicContact CD1-CE2 3.97Å; I60-A307 HydrophobicContact CB-CB 4.34Å; I60-A307 HydrophobicContact CG2-CB 4.06Å; I60-L308 HydrophobicContact CD1-CD2 3.83Å; I60-L308 HydrophobicContact CD1-CG 4.41Å; I60-R311 HydrophobicContact CG2-CB 4.5Å |
| 61 | T | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -41.5 | -176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | A57 L58 H63 Q64 I65 L85 V88 P89 | A57-T61 WeakPolarHBondContact O-CB 3.27Å; A57-T61 PolarHBondContact O-N 2.87Å; A57-T61 PolarHBondContact O-OG1 2.96Å; A57-T61 VanDerWaalsContact O-OG1 3.06Å; L58-T61 PolarHBondContact O-N 3.36Å; T61-H63 VanDerWaalsContact C-N 3.34Å; T61-H63 PolarHBondContact O-N 3.15Å; T61-Q64 WeakPolarHBondContact O-CB 3.46Å; T61-Q64 PolarHBondContact O-N 2.89Å; T61-Q64 VanDerWaalsContact O-N 3.12Å; T61-I65 HydrophobicContact CG2-CD1 3.86Å; T61-I65 HydrophobicContact CG2-CG1 4.3Å; T61-I65 WeakPolarHBondContact O-CG1 3.35Å; T61-I65 PolarHBondContact O-N 3.36Å; T61-L85 HydrophobicContact CG2-CB 4.36Å; T61-L85 HydrophobicContact CG2-CD2 4.44Å; T61-L85 VanDerWaalsContact CG2-O 3.3Å; T61-L85 WeakPolarHBondContact CG2-O 3.33Å; T61-V88 HydrophobicContact CG2-CB 4.44Å; T61-V88 WeakPolarHBondContact OG1-CG1 3.37Å; T61-P89 HydrophobicContact CG2-CG 4.32Å |
| 62 | C | 92.7 | Very high | 90.4 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 49% | 0.486 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.3 | -74.8 | 0 | 0 | 0 | 0 | 111.5 | L58 Q64 I65 Y66 | L58-C62 WeakPolarHBondContact O-CB 3.35Å; L58-C62 PolarHBondContact O-N 3.35Å; L58-C62 PolarHBondContact O-SG 2.91Å; C62-Q64 VanDerWaalsContact C-N 3.33Å; C62-Q64 PolarHBondContact O-N 2.78Å; C62-I65 PolarHBondContact O-N 2.98Å; C62-Y66 VanDerWaalsContact O-CB 3.3Å; C62-Y66 WeakPolarHBondContact O-CB 3.46Å; C62-Y66 PolarHBondContact O-N 3.01Å |
| 63 | H | 92.8 | Very high | 89.7 | Confident | 80 Ų | 80 | 43.8 Ų | 43.8 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -42.3 | 173.8 | 175.1 | -86.5 | 0 | 0 | 0 | 111.6 | L59 I60 T61 Y66 M67 | L59-H63 VanDerWaalsContact O-CB 3.24Å; L59-H63 WeakPolarHBondContact O-CB 3.23Å; L59-H63 PolarHBondContact O-N 2.98Å; I60-H63 PolarHBondContact O-N 2.75Å; T61-H63 VanDerWaalsContact C-N 3.34Å; T61-H63 PolarHBondContact O-N 3.15Å; H63-Y66 PolarHBondContact O-N 3.22Å; H63-M67 WeakPolarHBondContact O-CG 3.43Å; H63-M67 PolarHBondContact O-N 3.31Å |
| 64 | Q | 90.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.7 | -177.3 | 175.6 | 2.7 | 0 | 0 | 112.5 | I60 T61 C62 Y66 M67 H68 L85 L310 F314 | I60-Q64 PolarHBondContact O-N 3.45Å; T61-Q64 WeakPolarHBondContact O-CB 3.46Å; T61-Q64 PolarHBondContact O-N 2.89Å; T61-Q64 VanDerWaalsContact O-N 3.12Å; C62-Q64 VanDerWaalsContact C-N 3.33Å; C62-Q64 PolarHBondContact O-N 2.78Å; Q64-Y66 VanDerWaalsContact C-N 3.34Å; Q64-M67 PolarHBondContact O-N 3.22Å; Q64-H68 PolarHBondContact O-CD2 3.17Å; Q64-H68 PolarHBondContact O-N 3.33Å; Q64-L85 HydrophobicContact CG-CD1 4.22Å; Q64-L85 HydrophobicContact CG-CD2 3.95Å; Q64-L85 VanDerWaalsContact OE1-CD2 3.23Å; Q64-L310 PolarHBondContact NE2-O 3.33Å; Q64-F314 PolarHBondContact NE2-O 2.75Å |
| 65 | I | 90.4 | Very high | 88.6 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.9 | -68.9 | 168 | 0 | 0 | 0 | 109.8 | T61 C62 M67 H68 L69 V82 L85 F86 | T61-I65 HydrophobicContact CG2-CD1 3.86Å; T61-I65 HydrophobicContact CG2-CG1 4.3Å; T61-I65 WeakPolarHBondContact O-CG1 3.35Å; T61-I65 PolarHBondContact O-N 3.36Å; C62-I65 PolarHBondContact O-N 2.98Å; I65-M67 VanDerWaalsContact C-N 3.32Å; I65-M67 PolarHBondContact O-N 3.08Å; I65-H68 PolarHBondContact O-N 2.8Å; I65-L69 HydrophobicContact CG2-CD1 3.81Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CG 3.2Å; I65-L69 PolarHBondContact O-N 3.39Å; I65-V82 HydrophobicContact CG2-CG1 4.13Å; I65-L85 HydrophobicContact CD1-CB 4.22Å; I65-L85 HydrophobicContact CG1-CB 3.91Å; I65-L85 HydrophobicContact CG1-CD1 4.37Å; I65-F86 HydrophobicContact CD1-CD1 4.04Å; I65-F86 HydrophobicContact CD1-CD2 4.32Å; I65-F86 HydrophobicContact CD1-CE1 3.88Å; I65-F86 HydrophobicContact CD1-CE2 4.17Å; I65-F86 HydrophobicContact CD1-CG 4.24Å; I65-F86 HydrophobicContact CD1-CZ 3.94Å; I65-F86 HydrophobicContact CG2-CZ 4.39Å |
| 66 | Y | 89 | Confident | 88.1 | Confident | 108 Ų | 108 | 43.3 Ų | 43.3 | 42% | 0.424 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.5 | -44.8 | 176.6 | 174.4 | -101.1 | 0 | 0 | 0 | 112.2 | C62 H63 Q64 H68 L69 R70 I336 | C62-Y66 VanDerWaalsContact O-CB 3.3Å; C62-Y66 WeakPolarHBondContact O-CB 3.46Å; C62-Y66 PolarHBondContact O-N 3.01Å; H63-Y66 PolarHBondContact O-N 3.22Å; Q64-Y66 VanDerWaalsContact C-N 3.34Å; Y66-H68 PolarHBondContact O-N 3Å; Y66-L69 PolarHBondContact O-N 3Å; Y66-R70 VanDerWaalsContact O-CB 3.29Å; Y66-R70 WeakPolarHBondContact O-CB 3.45Å; Y66-R70 PolarHBondContact O-N 3.21Å; Y66-I336 HydrophobicContact CD2-CD1 4.29Å; Y66-I336 HydrophobicContact CE2-CD1 3.64Å |
| 67 | M | 86.9 | Confident | 87.7 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 178.7 | -71.4 | -61 | -71.6 | 0 | 0 | 112.8 | H63 Q64 I65 R70 C71 Y316 | H63-M67 WeakPolarHBondContact O-CG 3.43Å; H63-M67 PolarHBondContact O-N 3.31Å; Q64-M67 PolarHBondContact O-N 3.22Å; I65-M67 VanDerWaalsContact C-N 3.32Å; I65-M67 PolarHBondContact O-N 3.08Å; M67-R70 PolarHBondContact O-N 3.3Å; M67-C71 WeakPolarHBondContact O-CB 3.35Å; M67-C71 PolarHBondContact O-N 3.37Å; M67-C71 PolarHBondContact O-SG 2.72Å; M67-Y316 HydrophobicContact CB-CD1 3.92Å; M67-Y316 HydrophobicContact CB-CD2 4.05Å; M67-Y316 HydrophobicContact CB-CE1 4.37Å; M67-Y316 HydrophobicContact CB-CG 3.74Å; M67-Y316 HydrophobicContact CE-CD2 3.71Å; M67-Y316 HydrophobicContact CE-CE1 4.46Å; M67-Y316 HydrophobicContact CE-CE2 3.24Å; M67-Y316 HydrophobicContact CE-CG 4.49Å; M67-Y316 HydrophobicContact CG-CD1 4.41Å; M67-Y316 HydrophobicContact CG-CE1 4.38Å |
| 68 | H | 87.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -43 | 173.1 | -85.2 | -68.2 | 0 | 0 | 0 | 112.3 | Q64 I65 Y66 R70 C71 Y72 Q78 V82 F314 Y319 | Q64-H68 PolarHBondContact O-CD2 3.17Å; Q64-H68 PolarHBondContact O-N 3.33Å; I65-H68 PolarHBondContact O-N 2.8Å; Y66-H68 PolarHBondContact O-N 3Å; H68-R70 VanDerWaalsContact C-N 3.35Å; H68-C71 CarbonylContact O-C 3.22Å; H68-C71 PolarHBondContact O-N 2.98Å; H68-Y72 PolarHBondContact O-N 3.16Å; H68-Q78 PolarHBondContact O-NE2 2.9Å; H68-V82 HydrophobicContact CB-CG2 4Å; H68-F314 PolarHBondContact NE2-O 2.65Å; H68-Y319 AromaticContact CE1-CD2 3.76Å; H68-Y319 AromaticContact CE1-CE2 3.94Å; H68-Y319 AromaticContact ND1-CD2 3.83Å |
| 69 | L | 85.3 | Confident | 87.1 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -32.7 | 176.7 | -65.6 | 174.3 | 0 | 0 | 0 | 112.6 | I65 Y66 Y72 I336 L340 | I65-L69 HydrophobicContact CG2-CD1 3.81Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CG 3.2Å; I65-L69 PolarHBondContact O-N 3.39Å; Y66-L69 PolarHBondContact O-N 3Å; L69-Y72 WeakPolarHBondContact O-CB 3.48Å; L69-I336 HydrophobicContact CB-CG2 4.06Å; L69-I336 HydrophobicContact CD1-CG2 3.93Å; L69-L340 HydrophobicContact CD1-CB 4.11Å; L69-L340 HydrophobicContact CD1-CD1 4.17Å |
| 70 | R | 82.6 | Confident | 86.8 | Confident | 128 Ų | 128 | 38.3 Ų | 38.3 | 48% | 0.483 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -70.6 | -34.4 | 174.6 | -171.6 | 179.8 | 177.4 | -151.1 | -1.2 | 111.3 | Y66 M67 H68 R323 | Y66-R70 VanDerWaalsContact O-CB 3.29Å; Y66-R70 WeakPolarHBondContact O-CB 3.45Å; Y66-R70 PolarHBondContact O-N 3.21Å; M67-R70 PolarHBondContact O-N 3.3Å; H68-R70 VanDerWaalsContact C-N 3.35Å; R70-R323 PolarHBondContact O-NH1 3.08Å |
| 71 | C | 80.4 | Confident | 86.6 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 49.3 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 111 | M67 H68 S73 Q78 A320 | M67-C71 WeakPolarHBondContact O-CB 3.35Å; M67-C71 PolarHBondContact O-N 3.37Å; M67-C71 PolarHBondContact O-SG 2.72Å; H68-C71 CarbonylContact O-C 3.22Å; H68-C71 PolarHBondContact O-N 2.98Å; C71-S73 PolarHBondContact O-N 3.17Å; C71-S73 PolarHBondContact O-OG 3.36Å; C71-Q78 PolarHBondContact O-NE2 3.49Å; C71-Q78 PolarHBondContact O-OE1 3.23Å; C71-A320 HydrophobicContact CB-CB 4.38Å |
| 72 | Y | 80.5 | Confident | 86.5 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | trans | -78.8 | 66.4 | -175.5 | -156.1 | -115.5 | 0 | 0 | 0 | 112.1 | H68 L69 P75 Q78 T343 | H68-Y72 PolarHBondContact O-N 3.16Å; L69-Y72 WeakPolarHBondContact O-CB 3.48Å; Y72-P75 HydrophobicContact CD1-CB 4.27Å; Y72-P75 HydrophobicContact CE1-CB 3.52Å; Y72-Q78 VanDerWaalsContact CA-OE1 3.28Å; Y72-Q78 HydrophobicContact CD2-CB 4.02Å; Y72-Q78 HydrophobicContact CE2-CB 3.82Å; Y72-T343 PolarHBondContact OH-OG1 3.25Å | ||
| 73 | S | 79.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -87.1 | -32.4 | -175.2 | -46.8 | 0 | 0 | 0 | 0 | 112.8 | C71 Y319 R323 | C71-S73 PolarHBondContact O-N 3.17Å; C71-S73 PolarHBondContact O-OG 3.36Å; S73-Y319 PolarHBondContact OG-O 3.28Å; S73-R323 WeakPolarHBondContact OG-CA 3.25Å; S73-R323 WeakPolarHBondContact OG-CB 3.48Å; S73-R323 WeakPolarHBondContact OG-CG 3.49Å |
| 74 | C | 82.1 | Confident | 86.3 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 20% | 0.203 | 15% | 0.146 | C | C | . | . | trans | -127.1 | 80.9 | -176 | -61.5 | 0 | 0 | 0 | 0 | 109.3 | N76 E77 Q78 Y319 | C74-N76 VanDerWaalsContact C-N 3.28Å; C74-N76 PolarHBondContact O-N 2.88Å; C74-E77 PolarHBondContact O-N 3.29Å; C74-Q78 WeakPolarHBondContact O-CB 3.34Å; C74-Q78 WeakPolarHBondContact O-CG 3.13Å; C74-Q78 PolarHBondContact O-N 2.91Å; C74-Q78 PolarHBondContact O-OE1 3.42Å; C74-Y319 HydrophobicContact CB-CD1 4.07Å; C74-Y319 HydrophobicContact CB-CE1 3.95Å | ||
| 75 | P | 82 | Confident | 86.3 | Confident | 54 Ų | 54 | 30.3 Ų | 30.3 | 35% | 0.351 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -59.4 | -37.1 | -171.6 | 22.9 | -33.9 | 0 | 0 | 0 | 113.1 | Y72 E77 Q78 R79 | Y72-P75 HydrophobicContact CD1-CB 4.27Å; Y72-P75 HydrophobicContact CE1-CB 3.52Å; P75-E77 VanDerWaalsContact C-N 3.34Å; P75-E77 PolarHBondContact O-N 3.2Å; P75-Q78 PolarHBondContact O-N 3.38Å; P75-R79 VanDerWaalsContact O-CB 3.3Å; P75-R79 WeakPolarHBondContact O-CB 3.38Å; P75-R79 VanDerWaalsContact O-CG 3.3Å; P75-R79 WeakPolarHBondContact O-CG 3.34Å; P75-R79 PolarHBondContact O-N 3.34Å |
| 76 | N | 83.8 | Confident | 86.3 | Confident | 90 Ų | 90 | 32 Ų | 32 | 48% | 0.481 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.5 | -39.4 | -177.8 | -63.2 | -14.5 | 0 | 0 | 0 | 113 | C74 R79 Y80 | C74-N76 VanDerWaalsContact C-N 3.28Å; C74-N76 PolarHBondContact O-N 2.88Å; N76-R79 WeakPolarHBondContact O-CG 3.34Å; N76-R79 PolarHBondContact O-NE 2.88Å; N76-Y80 WeakPolarHBondContact O-CD2 3.46Å; N76-Y80 VanDerWaalsContact O-CE2 3.3Å; N76-Y80 WeakPolarHBondContact O-CE2 3.03Å |
| 77 | E | 86.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 27.1 Ų | 27.1 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -85.1 | -48.2 | 177.2 | -61.1 | 173.2 | -162.7 | 0 | 0 | 111.2 | C74 P75 R79 Y80 I81 L129 E132 Y133 Y319 | C74-E77 PolarHBondContact O-N 3.29Å; P75-E77 VanDerWaalsContact C-N 3.34Å; P75-E77 PolarHBondContact O-N 3.2Å; E77-R79 VanDerWaalsContact C-N 3.27Å; E77-R79 PolarHBondContact O-N 3.24Å; E77-Y80 PolarHBondContact O-N 2.74Å; E77-I81 PolarHBondContact O-N 3.47Å; E77-L129 HydrophobicContact CB-CD1 4.15Å; E77-L129 WeakPolarHBondContact O-CD1 3.11Å; E77-E132 HydrophobicContact CG-CB 4.44Å; E77-Y133 HydrophobicContact CB-CE1 4.15Å; E77-Y133 HydrophobicContact CG-CD1 3.92Å; E77-Y133 HydrophobicContact CG-CE1 3.96Å; E77-Y133 WeakPolarHBondContact OE2-CE1 3.4Å; E77-Y319 HydrophobicContact CB-CE1 4.45Å; E77-Y319 WeakPolarHBondContact OE2-CE1 3.49Å; E77-Y319 PolarHBondContact OE2-OH 3.22Å |
| 78 | Q | 86 | Confident | 86.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -28.9 | -171 | -69.4 | -179 | -72.8 | 0 | 0 | 112.5 | H68 C71 Y72 C74 P75 Y80 I81 V82 Y319 | H68-Q78 PolarHBondContact O-NE2 2.9Å; C71-Q78 PolarHBondContact O-NE2 3.49Å; C71-Q78 PolarHBondContact O-OE1 3.23Å; Y72-Q78 VanDerWaalsContact CA-OE1 3.28Å; Y72-Q78 HydrophobicContact CD2-CB 4.02Å; Y72-Q78 HydrophobicContact CE2-CB 3.82Å; C74-Q78 WeakPolarHBondContact O-CB 3.34Å; C74-Q78 WeakPolarHBondContact O-CG 3.13Å; C74-Q78 PolarHBondContact O-N 2.91Å; C74-Q78 PolarHBondContact O-OE1 3.42Å; P75-Q78 PolarHBondContact O-N 3.38Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 2.77Å; Q78-I81 PolarHBondContact O-N 3.38Å; Q78-V82 WeakPolarHBondContact O-CB 3.38Å; Q78-V82 VanDerWaalsContact O-CG2 3.28Å; Q78-V82 WeakPolarHBondContact O-CG2 3.37Å; Q78-V82 PolarHBondContact O-N 2.89Å; Q78-Y319 HydrophobicContact CG-CD1 3.74Å; Q78-Y319 HydrophobicContact CG-CD2 4.22Å; Q78-Y319 HydrophobicContact CG-CE1 3.73Å; Q78-Y319 HydrophobicContact CG-CE2 4.2Å; Q78-Y319 HydrophobicContact CG-CG 4Å; Q78-Y319 VanDerWaalsContact NE2-CG 3.35Å |
| 79 | R | 88.6 | Confident | 86.7 | Confident | 45 Ų | 45 | 26.8 Ų | 26.8 | 17% | 0.17 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 174.2 | 69.8 | -175.5 | 173 | 166.2 | -9.5 | 111.9 | P75 N76 E77 R83 E132 T343 D348 | P75-R79 VanDerWaalsContact O-CB 3.3Å; P75-R79 WeakPolarHBondContact O-CB 3.38Å; P75-R79 VanDerWaalsContact O-CG 3.3Å; P75-R79 WeakPolarHBondContact O-CG 3.34Å; P75-R79 PolarHBondContact O-N 3.34Å; N76-R79 WeakPolarHBondContact O-CG 3.34Å; N76-R79 PolarHBondContact O-NE 2.88Å; E77-R79 VanDerWaalsContact C-N 3.27Å; E77-R79 PolarHBondContact O-N 3.24Å; R79-R83 WeakPolarHBondContact O-CG 3.26Å; R79-R83 PolarHBondContact O-N 3.26Å; R79-R83 VanDerWaalsContact O-N 3.08Å; R79-E132 IonicContact NH2-OE1 3.74Å; R79-E132 PolarHBondContact NH2-OE1 3.5Å; R79-T343 HydrophobicContact CB-CG2 4.02Å; R79-T343 WeakPolarHBondContact O-CG2 3.36Å; R79-D348 IonicContact CZ-OD2 2.87Å; R79-D348 VanDerWaalsContact NH1-CG 3.27Å; R79-D348 IonicContact NH1-OD1 3.12Å; R79-D348 PolarHBondContact NH1-OD1 3.44Å; R79-D348 IonicContact NH1-OD2 3.97Å; R79-D348 PolarHBondContact NH1-OD2 3.32Å |
| 80 | Y | 89.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.8 | -39 | -178.5 | -64.2 | -62.4 | 0 | 0 | 0 | 111.4 | N76 E77 Q78 V82 R83 I84 N125 S128 L129 E132 | N76-Y80 WeakPolarHBondContact O-CD2 3.46Å; N76-Y80 VanDerWaalsContact O-CE2 3.3Å; N76-Y80 WeakPolarHBondContact O-CE2 3.03Å; E77-Y80 PolarHBondContact O-N 2.74Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 2.77Å; Y80-V82 PolarHBondContact O-N 2.81Å; Y80-R83 PolarHBondContact O-N 2.95Å; Y80-I84 WeakPolarHBondContact O-CD1 3.44Å; Y80-I84 VanDerWaalsContact O-CG1 3.27Å; Y80-I84 WeakPolarHBondContact O-CG1 3.43Å; Y80-I84 PolarHBondContact O-N 2.89Å; Y80-N125 HydrophobicContact CD1-CB 4.18Å; Y80-N125 VanDerWaalsContact CD1-OD1 3.29Å; Y80-N125 WeakPolarHBondContact CD1-OD1 3.49Å; Y80-S128 VanDerWaalsContact CE1-CB 3.49Å; Y80-L129 HydrophobicContact CG-CB 4.41Å; Y80-E132 HydrophobicContact CD2-CG 3.97Å; Y80-E132 HydrophobicContact CE2-CG 3.56Å |
| 81 | I | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 175.7 | -65.5 | 169.5 | 0 | 0 | 0 | 110.7 | E77 Q78 I84 L85 L129 Y133 F314 Y319 | E77-I81 PolarHBondContact O-N 3.47Å; Q78-I81 PolarHBondContact O-N 3.38Å; I81-I84 PolarHBondContact O-N 2.89Å; I81-L85 HydrophobicContact CG2-CD1 3.67Å; I81-L85 HydrophobicContact CG2-CG 4.47Å; I81-L85 WeakPolarHBondContact O-CD1 3.33Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.24Å; I81-L85 PolarHBondContact O-N 3.16Å; I81-L129 HydrophobicContact CD1-CD1 4.25Å; I81-L129 HydrophobicContact CG1-CD1 3.85Å; I81-L129 HydrophobicContact CG1-CD2 3.64Å; I81-L129 HydrophobicContact CG1-CG 4.42Å; I81-Y133 WeakPolarHBondContact CD1-OH 3.31Å; I81-F314 HydrophobicContact CD1-CD1 4.34Å; I81-F314 HydrophobicContact CG1-CD1 4.04Å; I81-F314 HydrophobicContact CG1-CE1 4.34Å; I81-F314 HydrophobicContact CG2-CB 3.78Å; I81-F314 HydrophobicContact CG2-CD1 4.09Å; I81-F314 HydrophobicContact CG2-CG 3.94Å; I81-Y319 HydrophobicContact CD1-CE2 3.83Å; I81-Y319 WeakPolarHBondContact CD1-OH 3.47Å |
| 82 | V | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.1 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | I65 H68 Q78 Y80 I84 L85 F86 T343 M344 | I65-V82 HydrophobicContact CG2-CG1 4.13Å; H68-V82 HydrophobicContact CB-CG2 4Å; Q78-V82 WeakPolarHBondContact O-CB 3.38Å; Q78-V82 VanDerWaalsContact O-CG2 3.28Å; Q78-V82 WeakPolarHBondContact O-CG2 3.37Å; Q78-V82 PolarHBondContact O-N 2.89Å; Y80-V82 PolarHBondContact O-N 2.81Å; V82-I84 PolarHBondContact O-N 3.15Å; V82-L85 WeakPolarHBondContact O-CB 3.32Å; V82-L85 PolarHBondContact O-N 3.12Å; V82-F86 HydrophobicContact CG1-CD2 4.01Å; V82-F86 HydrophobicContact CG1-CE2 3.59Å; V82-F86 WeakPolarHBondContact O-CD2 3.33Å; V82-F86 PolarHBondContact O-N 3.4Å; V82-T343 HydrophobicContact CB-CG2 3.7Å; V82-T343 HydrophobicContact CG1-CG2 3.68Å; V82-M344 HydrophobicContact CG1-CE 4.08Å |
| 83 | R | 91 | Very high | 88 | Confident | 10 Ų | 10 | 24.3 Ų | 24.3 | 4% | 0.038 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 171.9 | -70.6 | 172.6 | -173.1 | 167.3 | 7.8 | 112 | R79 Y80 L85 F86 Y118 N125 T343 M344 S345 D348 | R79-R83 WeakPolarHBondContact O-CG 3.26Å; R79-R83 PolarHBondContact O-N 3.26Å; R79-R83 VanDerWaalsContact O-N 3.08Å; Y80-R83 PolarHBondContact O-N 2.95Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.29Å; R83-F86 PolarHBondContact O-N 2.87Å; R83-Y118 PolarHBondContact O-OH 3.41Å; R83-N125 HydrophobicContact CB-CB 4.27Å; R83-N125 WeakPolarHBondContact CD-OD1 3.36Å; R83-N125 PolarHBondContact NH1-OD1 3.5Å; R83-T343 VanDerWaalsContact CZ-O 3.23Å; R83-T343 PolarHBondContact NE-O 3.39Å; R83-T343 PolarHBondContact NH2-O 3.42Å; R83-M344 HydrophobicContact CB-CE 4.2Å; R83-M344 HydrophobicContact CG-CE 3.37Å; R83-S345 PolarHBondContact NH2-O 3.38Å; R83-D348 IonicContact CZ-OD2 2.93Å; R83-D348 IonicContact NH1-OD2 2.7Å; R83-D348 IonicContact NH2-OD2 3.43Å; R83-D348 PolarHBondContact NH2-OD2 3.35Å |
| 84 | I | 89.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 177 | -66.1 | 160.4 | 0 | 0 | 0 | 110.9 | Y80 I81 V82 F86 I87 V122 N125 F126 L129 V252 L310 F314 | Y80-I84 WeakPolarHBondContact O-CD1 3.44Å; Y80-I84 VanDerWaalsContact O-CG1 3.27Å; Y80-I84 WeakPolarHBondContact O-CG1 3.43Å; Y80-I84 PolarHBondContact O-N 2.89Å; I81-I84 PolarHBondContact O-N 2.89Å; V82-I84 PolarHBondContact O-N 3.15Å; I84-F86 PolarHBondContact O-N 3.45Å; I84-I87 WeakPolarHBondContact O-CB 3.37Å; I84-I87 WeakPolarHBondContact O-CG2 3.45Å; I84-I87 PolarHBondContact O-N 3.41Å; I84-I87 VanDerWaalsContact O-N 3.1Å; I84-V122 HydrophobicContact CG2-CG1 4.42Å; I84-N125 HydrophobicContact CG1-CB 3.99Å; I84-F126 HydrophobicContact CD1-CB 3.99Å; I84-F126 HydrophobicContact CD1-CD2 4.24Å; I84-L129 HydrophobicContact CD1-CD2 3.97Å; I84-V252 HydrophobicContact CG2-CG2 4.13Å; I84-L310 HydrophobicContact CG2-CD2 4.15Å; I84-F314 HydrophobicContact CD1-CZ 4.34Å; I84-F314 HydrophobicContact CG2-CE2 3.99Å |
| 85 | L | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -31.3 | 179.7 | -77.9 | 155.7 | 0 | 0 | 0 | 113.4 | T61 Q64 I65 I81 V82 R83 I87 V88 P89 L310 | T61-L85 HydrophobicContact CG2-CB 4.36Å; T61-L85 HydrophobicContact CG2-CD2 4.44Å; T61-L85 VanDerWaalsContact CG2-O 3.3Å; T61-L85 WeakPolarHBondContact CG2-O 3.33Å; Q64-L85 HydrophobicContact CG-CD1 4.22Å; Q64-L85 HydrophobicContact CG-CD2 3.95Å; Q64-L85 VanDerWaalsContact OE1-CD2 3.23Å; I65-L85 HydrophobicContact CD1-CB 4.22Å; I65-L85 HydrophobicContact CG1-CB 3.91Å; I65-L85 HydrophobicContact CG1-CD1 4.37Å; I81-L85 HydrophobicContact CG2-CD1 3.67Å; I81-L85 HydrophobicContact CG2-CG 4.47Å; I81-L85 WeakPolarHBondContact O-CD1 3.33Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.24Å; I81-L85 PolarHBondContact O-N 3.16Å; V82-L85 WeakPolarHBondContact O-CB 3.32Å; V82-L85 PolarHBondContact O-N 3.12Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.29Å; L85-I87 PolarHBondContact O-N 3.17Å; L85-I87 VanDerWaalsContact O-N 3.17Å; L85-V88 PolarHBondContact O-N 2.93Å; L85-P89 VanDerWaalsContact O-CD 3.23Å; L85-P89 WeakPolarHBondContact O-CD 3.45Å; L85-L310 HydrophobicContact CD2-CB 4.15Å |
| 86 | F | 90.6 | Very high | 89 | Confident | 47 Ų | 47 | 21.2 Ų | 21.2 | 21% | 0.206 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.3 | 177.6 | -85.7 | -67.8 | 0 | 0 | 0 | 114.3 | I65 V82 R83 I84 V88 P89 I90 Y118 L340 M344 | I65-F86 HydrophobicContact CD1-CD1 4.04Å; I65-F86 HydrophobicContact CD1-CD2 4.32Å; I65-F86 HydrophobicContact CD1-CE1 3.88Å; I65-F86 HydrophobicContact CD1-CE2 4.17Å; I65-F86 HydrophobicContact CD1-CG 4.24Å; I65-F86 HydrophobicContact CD1-CZ 3.94Å; I65-F86 HydrophobicContact CG2-CZ 4.39Å; V82-F86 HydrophobicContact CG1-CD2 4.01Å; V82-F86 HydrophobicContact CG1-CE2 3.59Å; V82-F86 WeakPolarHBondContact O-CD2 3.33Å; V82-F86 PolarHBondContact O-N 3.4Å; R83-F86 PolarHBondContact O-N 2.87Å; I84-F86 PolarHBondContact O-N 3.45Å; F86-V88 VanDerWaalsContact C-N 3.33Å; F86-V88 PolarHBondContact O-N 3.49Å; F86-P89 HydrophobicContact CD1-CG 3.93Å; F86-P89 VanDerWaalsContact O-CD 3.27Å; F86-P89 WeakPolarHBondContact O-CD 3.48Å; F86-P89 VanDerWaalsContact O-CG 3.29Å; F86-P89 WeakPolarHBondContact O-CG 3.49Å; F86-I90 HydrophobicContact CB-CD1 4.39Å; F86-I90 WeakPolarHBondContact O-CB 3.42Å; F86-I90 WeakPolarHBondContact O-CD1 3.3Å; F86-I90 VanDerWaalsContact O-CG1 3.25Å; F86-I90 WeakPolarHBondContact O-CG1 3.4Å; F86-I90 PolarHBondContact O-N 3.5Å; F86-Y118 HydrophobicContact CB-CE1 4.29Å; F86-Y118 WeakPolarHBondContact CB-OH 3.33Å; F86-L340 HydrophobicContact CE2-CD1 3.92Å; F86-L340 HydrophobicContact CZ-CD1 3.85Å; F86-M344 HydrophobicContact CD2-CE 3.5Å; F86-M344 VanDerWaalsContact CD2-CE 3.5Å; F86-M344 HydrophobicContact CD2-SD 3.72Å; F86-M344 HydrophobicContact CE2-CE 3.52Å; F86-M344 HydrophobicContact CE2-CG 4.38Å; F86-M344 HydrophobicContact CE2-SD 3.65Å; F86-M344 HydrophobicContact CZ-SD 4.45Å |
| 87 | I | 89.1 | Confident | 89.1 | Confident | 6 Ų | 6 | 18.2 Ų | 18.2 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.2 | -166.1 | 176.7 | 0 | 0 | 0 | 111.8 | I84 L85 I90 Y91 Y118 V122 V255 L310 | I84-I87 WeakPolarHBondContact O-CB 3.37Å; I84-I87 WeakPolarHBondContact O-CG2 3.45Å; I84-I87 PolarHBondContact O-N 3.41Å; I84-I87 VanDerWaalsContact O-N 3.1Å; L85-I87 PolarHBondContact O-N 3.17Å; L85-I87 VanDerWaalsContact O-N 3.17Å; I87-I90 PolarHBondContact O-N 3.27Å; I87-Y91 HydrophobicContact CD1-CE2 4.17Å; I87-Y91 HydrophobicContact CG1-CD2 3.63Å; I87-Y91 HydrophobicContact CG1-CE2 3.63Å; I87-Y91 HydrophobicContact CG1-CG 4.39Å; I87-Y91 WeakPolarHBondContact O-CB 3.3Å; I87-Y91 VanDerWaalsContact O-CD2 3.25Å; I87-Y91 WeakPolarHBondContact O-CD2 3.43Å; I87-Y91 PolarHBondContact O-N 3Å; I87-Y118 HydrophobicContact CB-CD1 4.16Å; I87-Y118 HydrophobicContact CB-CE1 4Å; I87-Y118 HydrophobicContact CG1-CD1 4.23Å; I87-V122 HydrophobicContact CB-CG2 3.87Å; I87-V122 HydrophobicContact CD1-CB 4.37Å; I87-V122 HydrophobicContact CD1-CG1 4.16Å; I87-V122 HydrophobicContact CD1-CG2 3.98Å; I87-V122 HydrophobicContact CG1-CG2 4.08Å; I87-V255 HydrophobicContact CD1-CG1 3.84Å; I87-L310 HydrophobicContact CG2-CD1 4.17Å |
| 88 | V | 90.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.9 | -54.5 | -177.7 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | A57 T61 L85 F86 I90 Y91 A92 M303 A306 A307 L310 | A57-V88 HydrophobicContact CB-CG1 4.12Å; T61-V88 HydrophobicContact CG2-CB 4.44Å; T61-V88 WeakPolarHBondContact OG1-CG1 3.37Å; L85-V88 PolarHBondContact O-N 2.93Å; F86-V88 VanDerWaalsContact C-N 3.33Å; F86-V88 PolarHBondContact O-N 3.49Å; V88-I90 VanDerWaalsContact C-N 3.29Å; V88-I90 PolarHBondContact O-N 3.37Å; V88-Y91 PolarHBondContact O-N 3.1Å; V88-A92 WeakPolarHBondContact O-CB 3.3Å; V88-A92 PolarHBondContact O-N 3.37Å; V88-M303 HydrophobicContact CG1-CB 4.31Å; V88-M303 HydrophobicContact CG2-SD 4.41Å; V88-A306 HydrophobicContact CG2-CB 4.26Å; V88-A307 HydrophobicContact CG1-CB 3.99Å; V88-L310 HydrophobicContact CG2-CD1 3.23Å |
| 89 | P | 91.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 17.6 Ų | 17.6 | 11% | 0.11 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | -178.3 | 23.5 | -34.3 | 0 | 0 | 0 | 112.3 | L58 T61 L85 F86 F93 | L58-P89 VanDerWaalsContact CD2-CA 3.46Å; L58-P89 HydrophobicContact CD2-CB 3.37Å; T61-P89 HydrophobicContact CG2-CG 4.32Å; L85-P89 VanDerWaalsContact O-CD 3.23Å; L85-P89 WeakPolarHBondContact O-CD 3.45Å; F86-P89 HydrophobicContact CD1-CG 3.93Å; F86-P89 VanDerWaalsContact O-CD 3.27Å; F86-P89 WeakPolarHBondContact O-CD 3.48Å; F86-P89 VanDerWaalsContact O-CG 3.29Å; F86-P89 WeakPolarHBondContact O-CG 3.49Å; P89-F93 WeakPolarHBondContact O-CB 3.5Å; P89-F93 PolarHBondContact O-N 3.18Å |
| 90 | I | 89.8 | Confident | 88.1 | Confident | 43 Ų | 43 | 18.7 Ų | 18.7 | 22% | 0.221 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.8 | -54.4 | 176.9 | -67.8 | 170.1 | 0 | 0 | 0 | 109.7 | F86 I87 V88 A92 D94 V114 Y118 | F86-I90 HydrophobicContact CB-CD1 4.39Å; F86-I90 WeakPolarHBondContact O-CB 3.42Å; F86-I90 WeakPolarHBondContact O-CD1 3.3Å; F86-I90 VanDerWaalsContact O-CG1 3.25Å; F86-I90 WeakPolarHBondContact O-CG1 3.4Å; F86-I90 PolarHBondContact O-N 3.5Å; I87-I90 PolarHBondContact O-N 3.27Å; V88-I90 VanDerWaalsContact C-N 3.29Å; V88-I90 PolarHBondContact O-N 3.37Å; I90-A92 PolarHBondContact O-N 3.39Å; I90-D94 WeakPolarHBondContact O-CB 3.28Å; I90-D94 PolarHBondContact O-N 3.5Å; I90-V114 HydrophobicContact CG2-CG1 4.34Å; I90-Y118 HydrophobicContact CD1-CD1 3.96Å; I90-Y118 HydrophobicContact CD1-CD2 3.34Å; I90-Y118 HydrophobicContact CD1-CE1 3.96Å; I90-Y118 HydrophobicContact CD1-CE2 3.32Å; I90-Y118 HydrophobicContact CD1-CG 3.67Å |
| 91 | Y | 88.1 | Confident | 87.5 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | -178 | -84.4 | -119.1 | 0 | 0 | 0 | 112.6 | I87 V88 S95 R115 E119 I299 M303 | I87-Y91 HydrophobicContact CD1-CE2 4.17Å; I87-Y91 HydrophobicContact CG1-CD2 3.63Å; I87-Y91 HydrophobicContact CG1-CE2 3.63Å; I87-Y91 HydrophobicContact CG1-CG 4.39Å; I87-Y91 WeakPolarHBondContact O-CB 3.3Å; I87-Y91 VanDerWaalsContact O-CD2 3.25Å; I87-Y91 WeakPolarHBondContact O-CD2 3.43Å; I87-Y91 PolarHBondContact O-N 3Å; V88-Y91 PolarHBondContact O-N 3.1Å; Y91-S95 VanDerWaalsContact O-CB 3.3Å; Y91-S95 WeakPolarHBondContact O-CB 3.43Å; Y91-S95 PolarHBondContact O-N 3.48Å; Y91-S95 PolarHBondContact O-OG 2.9Å; Y91-R115 HydrophobicContact CD1-CG 3.66Å; Y91-R115 HydrophobicContact CD2-CG 3.84Å; Y91-R115 HydrophobicContact CE1-CG 3.32Å; Y91-R115 HydrophobicContact CE2-CG 3.51Å; Y91-R115 HydrophobicContact CG-CG 3.91Å; Y91-R115 PolarHBondContact OH-O 3.34Å; Y91-E119 WeakPolarHBondContact OH-CB 3.38Å; Y91-I299 HydrophobicContact CD1-CG2 4.38Å; Y91-M303 HydrophobicContact CD1-CE 4.46Å; Y91-M303 HydrophobicContact CG-SD 4.33Å |
| 92 | A | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | V54 V88 I90 W96 M303 | V54-A92 HydrophobicContact CB-CB 4.46Å; V54-A92 HydrophobicContact CG1-CB 4.01Å; V54-A92 WeakPolarHBondContact CG1-O 3.07Å; V54-A92 HydrophobicContact CG2-CB 4.22Å; V54-A92 WeakPolarHBondContact CG2-O 3.37Å; V88-A92 WeakPolarHBondContact O-CB 3.3Å; V88-A92 PolarHBondContact O-N 3.37Å; I90-A92 PolarHBondContact O-N 3.39Å; A92-W96 WeakPolarHBondContact O-CB 3.38Å; A92-W96 PolarHBondContact O-N 2.92Å; A92-M303 HydrophobicContact CB-CB 3.84Å; A92-M303 HydrophobicContact CB-CG 4.09Å |
| 93 | F | 89.5 | Confident | 84.8 | Confident | 94 Ų | 94 | 28.6 Ų | 28.6 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -69.7 | -43.4 | 179.2 | -173.1 | -103.6 | 0 | 0 | 0 | 111.5 | P89 W96 L97 | P89-F93 WeakPolarHBondContact O-CB 3.5Å; P89-F93 PolarHBondContact O-N 3.18Å; F93-W96 HydrophobicContact CD2-CE3 4.19Å; F93-W96 HydrophobicContact CD2-CZ3 4.48Å; F93-W96 HydrophobicContact CE2-CE3 4.25Å; F93-W96 HydrophobicContact CE2-CZ3 4.16Å; F93-W96 PolarHBondContact O-N 3.31Å; F93-L97 HydrophobicContact CE1-CD2 3.92Å; F93-L97 HydrophobicContact CZ-CD2 4.42Å; F93-L97 VanDerWaalsContact O-CB 3.23Å; F93-L97 WeakPolarHBondContact O-CB 3.39Å; F93-L97 PolarHBondContact O-N 3.38Å |
| 94 | D | 87.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.059 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -50.6 | 179.6 | -167.7 | 75.3 | 0 | 0 | 0 | 111.9 | I90 W96 L97 S98 F111 | I90-D94 WeakPolarHBondContact O-CB 3.28Å; I90-D94 PolarHBondContact O-N 3.5Å; D94-W96 VanDerWaalsContact C-N 3.34Å; D94-W96 PolarHBondContact O-N 2.7Å; D94-L97 PolarHBondContact O-N 3.17Å; D94-S98 VanDerWaalsContact O-CB 3.32Å; D94-S98 WeakPolarHBondContact O-CB 3.39Å; D94-S98 PolarHBondContact O-N 3.49Å; D94-F111 WeakPolarHBondContact OD1-CA 3.42Å; D94-F111 WeakPolarHBondContact OD1-CB 3.37Å; D94-F111 VanDerWaalsContact OD1-CD1 3.22Å; D94-F111 WeakPolarHBondContact OD1-CD1 3.11Å; D94-F111 WeakPolarHBondContact OD1-CG 3.18Å |
| 95 | S | 86.8 | Confident | 82 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.3 | -33.9 | 177.2 | -73.2 | 0 | 0 | 0 | 0 | 112.6 | Y91 L99 R115 D296 I299 | Y91-S95 VanDerWaalsContact O-CB 3.3Å; Y91-S95 WeakPolarHBondContact O-CB 3.43Å; Y91-S95 PolarHBondContact O-N 3.48Å; Y91-S95 PolarHBondContact O-OG 2.9Å; S95-L99 VanDerWaalsContact O-CG 3.31Å; S95-L99 WeakPolarHBondContact O-CG 3.48Å; S95-L99 PolarHBondContact O-N 3.38Å; S95-L99 VanDerWaalsContact O-N 3.07Å; S95-R115 PolarHBondContact OG-NH1 2.86Å; S95-D296 PolarHBondContact OG-OD1 3Å; S95-I299 WeakPolarHBondContact OG-CG2 3.02Å |
| 96 | W | 88.3 | Confident | 80.5 | Confident | 45 Ų | 45 | 43 Ų | 43 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 173.2 | -177.5 | 54.2 | 0 | 0 | 0 | 112.2 | V54 W55 A92 F93 D94 L99 L100 | V54-W96 HydrophobicContact CB-CB 4.35Å; V54-W96 HydrophobicContact CB-CG 4.44Å; V54-W96 HydrophobicContact CG1-CB 3.99Å; V54-W96 HydrophobicContact CG1-CD2 4.46Å; V54-W96 HydrophobicContact CG1-CG 4.24Å; V54-W96 HydrophobicContact CG2-CB 3.9Å; V54-W96 HydrophobicContact CG2-CG 4.32Å; W55-W96 HydrophobicContact CZ2-CH2 4.38Å; W55-W96 HydrophobicContact CZ2-CZ3 4.4Å; W55-W96 AromaticContact NE1-CH2 3.6Å; W55-W96 AromaticContact NE1-CZ2 3.91Å; A92-W96 WeakPolarHBondContact O-CB 3.38Å; A92-W96 PolarHBondContact O-N 2.92Å; F93-W96 HydrophobicContact CD2-CE3 4.19Å; F93-W96 HydrophobicContact CD2-CZ3 4.48Å; F93-W96 HydrophobicContact CE2-CE3 4.25Å; F93-W96 HydrophobicContact CE2-CZ3 4.16Å; F93-W96 PolarHBondContact O-N 3.31Å; D94-W96 VanDerWaalsContact C-N 3.34Å; D94-W96 PolarHBondContact O-N 2.7Å; W96-L99 WeakPolarHBondContact O-CB 3.49Å; W96-L99 PolarHBondContact O-N 3.31Å; W96-L100 HydrophobicContact CD2-CD1 4.05Å; W96-L100 HydrophobicContact CE3-CD1 4.37Å; W96-L100 HydrophobicContact CH2-CD1 4.03Å; W96-L100 HydrophobicContact CZ2-CD1 3.68Å; W96-L100 HydrophobicContact CZ3-CD1 4.36Å; W96-L100 WeakPolarHBondContact O-CG 3.44Å; W96-L100 PolarHBondContact O-N 3.05Å |
| 97 | L | 85.8 | Confident | 79.1 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 178.7 | -160.1 | 61.2 | 0 | 0 | 0 | 111.3 | F93 D94 L99 L100 F101 F111 | F93-L97 HydrophobicContact CE1-CD2 3.92Å; F93-L97 HydrophobicContact CZ-CD2 4.42Å; F93-L97 VanDerWaalsContact O-CB 3.23Å; F93-L97 WeakPolarHBondContact O-CB 3.39Å; F93-L97 PolarHBondContact O-N 3.38Å; D94-L97 PolarHBondContact O-N 3.17Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.06Å; L97-L100 PolarHBondContact O-N 3.21Å; L97-F101 HydrophobicContact CD1-CD2 3.73Å; L97-F101 HydrophobicContact CD1-CE2 3.39Å; L97-F101 HydrophobicContact CG-CD2 3.82Å; L97-F101 HydrophobicContact CG-CE2 3.93Å; L97-F101 WeakPolarHBondContact O-CD2 3.31Å; L97-F101 PolarHBondContact O-N 2.79Å; L97-F111 HydrophobicContact CD2-CD1 4.28Å; L97-F111 HydrophobicContact CD2-CE1 3.44Å; L97-F111 VanDerWaalsContact CD2-CE1 3.44Å; L97-F111 HydrophobicContact CD2-CE2 3.98Å; L97-F111 HydrophobicContact CD2-CZ 3.27Å; L97-F111 HydrophobicContact CG-CE1 4.4Å; L97-F111 HydrophobicContact CG-CE2 4.1Å; L97-F111 HydrophobicContact CG-CZ 3.88Å |
| 98 | S | 81.1 | Confident | 78 | Confident | 8 Ų | 8 | 50 Ų | 50 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | D94 L100 F101 F102 Y108 D296 | D94-S98 VanDerWaalsContact O-CB 3.32Å; D94-S98 WeakPolarHBondContact O-CB 3.39Å; D94-S98 PolarHBondContact O-N 3.49Å; S98-L100 PolarHBondContact O-N 3.22Å; S98-F101 PolarHBondContact O-N 3.04Å; S98-F102 PolarHBondContact O-N 2.89Å; S98-Y108 WeakPolarHBondContact OG-CD2 3.46Å; S98-Y108 WeakPolarHBondContact OG-CE2 3.32Å; S98-D296 VanDerWaalsContact CB-OD2 3.25Å; S98-D296 WeakPolarHBondContact CB-OD2 3.4Å; S98-D296 PolarHBondContact OG-OD2 2.6Å |
| 99 | L | 80.4 | Confident | 76.8 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | 175.7 | -73.8 | 170 | 0 | 0 | 0 | 113.7 | L41 S95 W96 L97 G293 D296 F297 | L41-L99 HydrophobicContact CD2-CD2 4.22Å; S95-L99 VanDerWaalsContact O-CG 3.31Å; S95-L99 WeakPolarHBondContact O-CG 3.48Å; S95-L99 PolarHBondContact O-N 3.38Å; S95-L99 VanDerWaalsContact O-N 3.07Å; W96-L99 WeakPolarHBondContact O-CB 3.49Å; W96-L99 PolarHBondContact O-N 3.31Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 3.06Å; L99-G293 VanDerWaalsContact CD2-O 3.32Å; L99-G293 WeakPolarHBondContact CD2-O 3.4Å; L99-D296 HydrophobicContact CD2-CB 4.31Å; L99-D296 HydrophobicContact CG-CB 4.06Å; L99-F297 HydrophobicContact CD1-CB 4.2Å; L99-F297 HydrophobicContact CD1-CD2 4.48Å; L99-F297 HydrophobicContact CD2-CB 4.31Å |
| 100 | L | 80.7 | Confident | 75.7 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.5 | -35.3 | 178.9 | -73.3 | 178.3 | 0 | 0 | 0 | 112.5 | W96 L97 S98 | W96-L100 HydrophobicContact CD2-CD1 4.05Å; W96-L100 HydrophobicContact CE3-CD1 4.37Å; W96-L100 HydrophobicContact CH2-CD1 4.03Å; W96-L100 HydrophobicContact CZ2-CD1 3.68Å; W96-L100 HydrophobicContact CZ3-CD1 4.36Å; W96-L100 WeakPolarHBondContact O-CG 3.44Å; W96-L100 PolarHBondContact O-N 3.05Å; L97-L100 PolarHBondContact O-N 3.21Å; S98-L100 PolarHBondContact O-N 3.22Å |
| 101 | F | 75.1 | Confident | 75 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 26.3 | -178 | -68.1 | -63.7 | 0 | 0 | 0 | 114 | L97 S98 T103 N104 | L97-F101 HydrophobicContact CD1-CD2 3.73Å; L97-F101 HydrophobicContact CD1-CE2 3.39Å; L97-F101 HydrophobicContact CG-CD2 3.82Å; L97-F101 HydrophobicContact CG-CE2 3.93Å; L97-F101 WeakPolarHBondContact O-CD2 3.31Å; L97-F101 PolarHBondContact O-N 2.79Å; S98-F101 PolarHBondContact O-N 3.04Å; F101-T103 PolarHBondContact O-N 3.43Å; F101-N104 PolarHBondContact O-N 2.99Å |
| 102 | F | 64.9 | Low | 74.3 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -25.6 | -179.7 | -164.9 | -94.8 | 0 | 0 | 0 | 114.5 | M42 S98 V285 T289 V290 | M42-F102 HydrophobicContact CE-CB 3.43Å; M42-F102 VanDerWaalsContact CE-CB 3.43Å; M42-F102 HydrophobicContact CE-CD1 3.29Å; M42-F102 HydrophobicContact CE-CD2 4.03Å; M42-F102 HydrophobicContact CE-CE1 3.98Å; M42-F102 HydrophobicContact CE-CG 3.3Å; M42-F102 HydrophobicContact SD-CB 4.41Å; M42-F102 HydrophobicContact SD-CD1 3.97Å; M42-F102 HydrophobicContact SD-CG 4.43Å; S98-F102 PolarHBondContact O-N 2.89Å; F102-V285 HydrophobicContact CE1-CG1 3.77Å; F102-V285 HydrophobicContact CE1-CG2 4.41Å; F102-V285 HydrophobicContact CZ-CG1 4.06Å; F102-T289 HydrophobicContact CD2-CG2 4.47Å; F102-T289 HydrophobicContact CE1-CG2 4.31Å; F102-T289 HydrophobicContact CE2-CG2 3.95Å; F102-T289 WeakPolarHBondContact CE2-O 3.38Å; F102-T289 HydrophobicContact CZ-CG2 3.86Å; F102-T289 WeakPolarHBondContact CZ-O 3.38Å; F102-V290 HydrophobicContact CZ-CG2 4.34Å |
| 103 | T | 58.5 | Low | 73.6 | Confident | 95 Ų | 95 | 60 Ų | 60 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -14.6 | -179.4 | -42.9 | 0 | 0 | 0 | 0 | 113.9 | F101 | F101-T103 PolarHBondContact O-N 3.43Š|
| 104 | N | 63 | Low | 73.2 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 43% | 0.428 | 29% | 0.29 | S | S | . | . | trans | -109.1 | 88.4 | -177.5 | -65.9 | -45.1 | 0 | 0 | 0 | 111.1 | F101 Q106 Y107 | F101-N104 PolarHBondContact O-N 2.99Å; N104-Q106 PolarHBondContact O-N 2.96Å; N104-Y107 HydrophobicContact CB-CD2 3.8Å; N104-Y107 HydrophobicContact CB-CE2 4.37Å; N104-Y107 PolarHBondContact O-N 3.4Å | ||
| 105 | D | 58.5 | Low | 72.9 | Confident | 91 Ų | 91 | 60 Ų | 60 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.2 | -24.6 | -175.7 | -76.7 | -32.6 | 0 | 0 | 0 | 115.4 | ||
| 106 | Q | 59 | Low | 72.5 | Confident | 141 Ų | 141 | 62.8 Ų | 62.8 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -78.3 | -25.9 | -175.2 | -64 | -63.1 | -55.2 | 0 | 0 | 114.1 | N104 Y110 | N104-Q106 PolarHBondContact O-N 2.96Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.38Å; Q106-Y110 VanDerWaalsContact O-CE2 3.3Å; Q106-Y110 WeakPolarHBondContact O-CE2 3.37Å |
| 107 | Y | 62.9 | Low | 72.2 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -85.8 | -27.7 | -174.6 | -70.3 | -78.8 | 0 | 0 | 0 | 113.3 | N104 V109 Y110 F111 | N104-Y107 HydrophobicContact CB-CD2 3.8Å; N104-Y107 HydrophobicContact CB-CE2 4.37Å; N104-Y107 PolarHBondContact O-N 3.4Å; Y107-V109 VanDerWaalsContact C-N 3.28Å; Y107-V109 PolarHBondContact O-N 3.23Å; Y107-Y110 PolarHBondContact O-N 3.48Å; Y107-F111 WeakPolarHBondContact O-CD2 3.34Å; Y107-F111 PolarHBondContact O-N 3.25Å |
| 108 | Y | 65 | Low | 72.3 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.5 | -43.4 | -179.4 | 178.8 | -97.7 | 0 | 0 | 0 | 113 | S98 Y110 F111 G112 A292 D296 | S98-Y108 WeakPolarHBondContact OG-CD2 3.46Å; S98-Y108 WeakPolarHBondContact OG-CE2 3.32Å; Y108-Y110 PolarHBondContact O-N 2.93Å; Y108-F111 PolarHBondContact O-N 3.36Å; Y108-G112 PolarHBondContact O-N 3.25Å; Y108-A292 HydrophobicContact CE1-CB 4.3Å; Y108-A292 HydrophobicContact CE2-CB 3.88Å; Y108-A292 WeakPolarHBondContact OH-CB 3.47Å; Y108-D296 WeakPolarHBondContact CE2-OD2 3.32Å |
| 109 | V | 65.6 | Low | 72.4 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 17% | 0.17 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -37 | -177 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | Y107 T113 | Y107-V109 VanDerWaalsContact C-N 3.28Å; Y107-V109 PolarHBondContact O-N 3.23Å; V109-T113 PolarHBondContact O-N 3.35Å; V109-T113 VanDerWaalsContact O-N 3.12Å; V109-T113 PolarHBondContact O-OG1 2.85Å |
| 110 | Y | 69.4 | Low | 72.7 | Confident | 152 Ų | 152 | 62.4 Ų | 62.4 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.4 | -41.4 | 179.6 | -68.1 | -79.6 | 0 | 0 | 0 | 111.6 | Q106 Y107 Y108 T113 V114 | Q106-Y110 WeakPolarHBondContact O-CD2 3.38Å; Q106-Y110 VanDerWaalsContact O-CE2 3.3Å; Q106-Y110 WeakPolarHBondContact O-CE2 3.37Å; Y107-Y110 PolarHBondContact O-N 3.48Å; Y108-Y110 PolarHBondContact O-N 2.93Å; Y110-T113 WeakPolarHBondContact O-CB 3.27Å; Y110-T113 PolarHBondContact O-N 2.72Å; Y110-V114 PolarHBondContact O-N 3.42Å |
| 111 | F | 73.6 | Confident | 73 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 176.3 | -71.8 | -42.7 | 0 | 0 | 0 | 111.4 | D94 L97 Y107 Y108 T113 V114 R115 | D94-F111 WeakPolarHBondContact OD1-CA 3.42Å; D94-F111 WeakPolarHBondContact OD1-CB 3.37Å; D94-F111 VanDerWaalsContact OD1-CD1 3.22Å; D94-F111 WeakPolarHBondContact OD1-CD1 3.11Å; D94-F111 WeakPolarHBondContact OD1-CG 3.18Å; L97-F111 HydrophobicContact CD2-CD1 4.28Å; L97-F111 HydrophobicContact CD2-CE1 3.44Å; L97-F111 VanDerWaalsContact CD2-CE1 3.44Å; L97-F111 HydrophobicContact CD2-CE2 3.98Å; L97-F111 HydrophobicContact CD2-CZ 3.27Å; L97-F111 HydrophobicContact CG-CE1 4.4Å; L97-F111 HydrophobicContact CG-CE2 4.1Å; L97-F111 HydrophobicContact CG-CZ 3.88Å; Y107-F111 WeakPolarHBondContact O-CD2 3.34Å; Y107-F111 PolarHBondContact O-N 3.25Å; Y108-F111 PolarHBondContact O-N 3.36Å; F111-T113 VanDerWaalsContact C-N 3.29Å; F111-T113 PolarHBondContact O-N 3.41Å; F111-V114 PolarHBondContact O-N 3.23Å; F111-V114 VanDerWaalsContact O-N 3.13Å; F111-R115 PolarHBondContact O-N 3.29Å |
| 112 | G | 73 | Confident | 73.6 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.3 | -40.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y108 V114 R115 D116 | Y108-G112 PolarHBondContact O-N 3.25Å; G112-V114 PolarHBondContact O-N 3.47Å; G112-R115 WeakPolarHBondContact O-CB 3.48Å; G112-R115 PolarHBondContact O-N 3.23Å; G112-D116 WeakPolarHBondContact O-CB 3.45Å; G112-D116 PolarHBondContact O-N 3.37Å |
| 113 | T | 77.1 | Confident | 74.7 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 179.3 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | V109 Y110 F111 D116 C117 A188 | V109-T113 PolarHBondContact O-N 3.35Å; V109-T113 VanDerWaalsContact O-N 3.12Å; V109-T113 PolarHBondContact O-OG1 2.85Å; Y110-T113 WeakPolarHBondContact O-CB 3.27Å; Y110-T113 PolarHBondContact O-N 2.72Å; F111-T113 VanDerWaalsContact C-N 3.29Å; F111-T113 PolarHBondContact O-N 3.41Å; T113-D116 PolarHBondContact O-N 3Å; T113-C117 PolarHBondContact O-N 2.82Å; T113-C117 PolarHBondContact O-SG 3.36Å; T113-A188 HydrophobicContact CG2-CB 3.72Å |
| 114 | V | 80 | Confident | 76.1 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -46.4 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | I90 Y110 F111 G112 D116 C117 Y118 | I90-V114 HydrophobicContact CG2-CG1 4.34Å; Y110-V114 PolarHBondContact O-N 3.42Å; F111-V114 PolarHBondContact O-N 3.23Å; F111-V114 VanDerWaalsContact O-N 3.13Å; G112-V114 PolarHBondContact O-N 3.47Å; V114-D116 VanDerWaalsContact C-N 3.3Å; V114-D116 PolarHBondContact O-N 3.31Å; V114-C117 PolarHBondContact O-N 3.22Å; V114-Y118 PolarHBondContact O-N 3.41Å |
| 115 | R | 81.3 | Confident | 77.3 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.1 | -47.2 | 176.3 | -172.6 | 174.7 | 68.2 | -175.4 | -5.6 | 111.1 | Y91 S95 F111 G112 C117 Y118 E119 D296 I299 | Y91-R115 HydrophobicContact CD1-CG 3.66Å; Y91-R115 HydrophobicContact CD2-CG 3.84Å; Y91-R115 HydrophobicContact CE1-CG 3.32Å; Y91-R115 HydrophobicContact CE2-CG 3.51Å; Y91-R115 HydrophobicContact CG-CG 3.91Å; Y91-R115 PolarHBondContact OH-O 3.34Å; S95-R115 PolarHBondContact OG-NH1 2.86Å; F111-R115 PolarHBondContact O-N 3.29Å; G112-R115 WeakPolarHBondContact O-CB 3.48Å; G112-R115 PolarHBondContact O-N 3.23Å; R115-C117 PolarHBondContact O-N 3.28Å; R115-Y118 PolarHBondContact O-N 2.87Å; R115-E119 PolarHBondContact O-N 3.12Å; R115-E119 VanDerWaalsContact O-N 3.12Å; R115-D296 IonicContact CZ-OD1 3.22Å; R115-D296 IonicContact NH1-OD1 2.9Å; R115-D296 PolarHBondContact NH1-OD1 3.44Å; R115-I299 VanDerWaalsContact NH1-CD1 3.27Å |
| 116 | D | 79.5 | Confident | 78.7 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -46.2 | -179.8 | -76.5 | -12.5 | 0 | 0 | 0 | 112.4 | G112 T113 V114 Y118 E119 K184 | G112-D116 WeakPolarHBondContact O-CB 3.45Å; G112-D116 PolarHBondContact O-N 3.37Å; T113-D116 PolarHBondContact O-N 3Å; V114-D116 VanDerWaalsContact C-N 3.3Å; V114-D116 PolarHBondContact O-N 3.31Å; D116-Y118 VanDerWaalsContact C-N 3.28Å; D116-Y118 PolarHBondContact O-N 3.16Å; D116-E119 WeakPolarHBondContact O-CB 3.29Å; D116-E119 PolarHBondContact O-N 2.93Å; D116-K184 HydrophobicContact CB-CG 4.48Å; D116-K184 WeakPolarHBondContact O-CD 3.48Å; D116-K184 WeakPolarHBondContact O-CE 2.97Å; D116-K184 PolarHBondContact O-NZ 2.89Å |
| 117 | C | 82.6 | Confident | 80 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.8 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | T113 V114 R115 E119 A120 L121 | T113-C117 PolarHBondContact O-N 2.82Å; T113-C117 PolarHBondContact O-SG 3.36Å; V114-C117 PolarHBondContact O-N 3.22Å; R115-C117 PolarHBondContact O-N 3.28Å; C117-E119 VanDerWaalsContact C-N 3.34Å; C117-E119 PolarHBondContact O-N 3.05Å; C117-A120 PolarHBondContact O-N 3.32Å; C117-L121 PolarHBondContact O-N 3.29Å |
| 118 | Y | 86.8 | Confident | 81.2 | Confident | 29 Ų | 29 | 31.2 Ų | 31.2 | 11% | 0.114 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.6 | -34.2 | -178.5 | -152.8 | -96.2 | 0 | 0 | 0 | 113.1 | R83 F86 I87 I90 V114 R115 D116 A120 L121 V122 | R83-Y118 PolarHBondContact O-OH 3.41Å; F86-Y118 HydrophobicContact CB-CE1 4.29Å; F86-Y118 WeakPolarHBondContact CB-OH 3.33Å; I87-Y118 HydrophobicContact CB-CD1 4.16Å; I87-Y118 HydrophobicContact CB-CE1 4Å; I87-Y118 HydrophobicContact CG1-CD1 4.23Å; I90-Y118 HydrophobicContact CD1-CD1 3.96Å; I90-Y118 HydrophobicContact CD1-CD2 3.34Å; I90-Y118 HydrophobicContact CD1-CE1 3.96Å; I90-Y118 HydrophobicContact CD1-CE2 3.32Å; I90-Y118 HydrophobicContact CD1-CG 3.67Å; V114-Y118 PolarHBondContact O-N 3.41Å; R115-Y118 PolarHBondContact O-N 2.87Å; D116-Y118 VanDerWaalsContact C-N 3.28Å; D116-Y118 PolarHBondContact O-N 3.16Å; Y118-A120 VanDerWaalsContact C-N 3.29Å; Y118-A120 PolarHBondContact O-N 3.46Å; Y118-L121 HydrophobicContact CD2-CD1 4.17Å; Y118-L121 HydrophobicContact CE2-CD1 4.43Å; Y118-L121 WeakPolarHBondContact O-CB 3.39Å; Y118-L121 PolarHBondContact O-N 3.47Å; Y118-V122 HydrophobicContact CD1-CG2 3.51Å; Y118-V122 HydrophobicContact CE1-CG2 3.38Å; Y118-V122 WeakPolarHBondContact O-CG2 3.3Å; Y118-V122 PolarHBondContact O-N 3.31Å |
| 119 | E | 84.3 | Confident | 82.2 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.4 | -45.8 | 176.2 | -161.1 | -172.3 | 105.7 | 0 | 0 | 112 | Y91 R115 D116 C117 V122 I123 K184 Y218 I256 | Y91-E119 WeakPolarHBondContact OH-CB 3.38Å; R115-E119 PolarHBondContact O-N 3.12Å; R115-E119 VanDerWaalsContact O-N 3.12Å; D116-E119 WeakPolarHBondContact O-CB 3.29Å; D116-E119 PolarHBondContact O-N 2.93Å; C117-E119 VanDerWaalsContact C-N 3.34Å; C117-E119 PolarHBondContact O-N 3.05Å; E119-V122 PolarHBondContact O-N 3.42Å; E119-I123 PolarHBondContact O-N 2.96Å; E119-K184 VanDerWaalsContact CB-NZ 3.32Å; E119-K184 IonicContact OE1-NZ 3.73Å; E119-K184 PolarHBondContact OE1-NZ 2.67Å; E119-K184 IonicContact OE2-NZ 2.77Å; E119-K184 PolarHBondContact OE2-NZ 3.32Å; E119-Y218 PolarHBondContact OE1-OH 3.34Å; E119-I256 HydrophobicContact CG-CB 4.42Å; E119-I256 HydrophobicContact CG-CD1 4.1Å; E119-I256 HydrophobicContact CG-CG1 3.96Å; E119-I256 HydrophobicContact CG-CG2 3.69Å; E119-I256 WeakPolarHBondContact OE1-CG2 3.4Å |
| 120 | A | 86.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C117 Y118 V122 I123 Y124 F180 C181 K184 | C117-A120 PolarHBondContact O-N 3.32Å; Y118-A120 VanDerWaalsContact C-N 3.29Å; Y118-A120 PolarHBondContact O-N 3.46Å; A120-V122 VanDerWaalsContact C-N 3.28Å; A120-V122 PolarHBondContact O-N 3.07Å; A120-I123 PolarHBondContact O-N 2.98Å; A120-Y124 PolarHBondContact O-N 3.12Å; A120-Y124 VanDerWaalsContact O-N 3.14Å; A120-F180 HydrophobicContact CB-CD1 3.53Å; A120-F180 HydrophobicContact CB-CE1 3.58Å; A120-F180 HydrophobicContact CB-CG 4.31Å; A120-F180 HydrophobicContact CB-CZ 4.38Å; A120-C181 HydrophobicContact CB-CB 4.48Å; A120-C181 PolarHBondContact O-SG 3.19Å; A120-K184 HydrophobicContact CB-CB 4.08Å; A120-K184 HydrophobicContact CB-CD 4.16Å |
| 121 | L | 87.1 | Confident | 83.9 | Confident | 57 Ų | 57 | 20.6 Ų | 20.6 | 30% | 0.298 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -58.9 | -39.4 | 174 | -66.1 | 177.3 | 0 | 0 | 0 | 111.7 | C117 Y118 Y124 N125 I349 | C117-L121 PolarHBondContact O-N 3.29Å; Y118-L121 HydrophobicContact CD2-CD1 4.17Å; Y118-L121 HydrophobicContact CE2-CD1 4.43Å; Y118-L121 WeakPolarHBondContact O-CB 3.39Å; Y118-L121 PolarHBondContact O-N 3.47Å; L121-Y124 PolarHBondContact O-N 2.95Å; L121-N125 WeakPolarHBondContact O-CB 3.43Å; L121-N125 PolarHBondContact O-N 3.1Å; L121-N125 PolarHBondContact O-ND2 2.95Å; L121-I349 HydrophobicContact CD2-CD1 3.67Å |
| 122 | V | 87.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | -179.3 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | I84 I87 Y118 E119 A120 Y124 N125 F126 V252 I256 | I84-V122 HydrophobicContact CG2-CG1 4.42Å; I87-V122 HydrophobicContact CB-CG2 3.87Å; I87-V122 HydrophobicContact CD1-CB 4.37Å; I87-V122 HydrophobicContact CD1-CG1 4.16Å; I87-V122 HydrophobicContact CD1-CG2 3.98Å; I87-V122 HydrophobicContact CG1-CG2 4.08Å; Y118-V122 HydrophobicContact CD1-CG2 3.51Å; Y118-V122 HydrophobicContact CE1-CG2 3.38Å; Y118-V122 WeakPolarHBondContact O-CG2 3.3Å; Y118-V122 PolarHBondContact O-N 3.31Å; E119-V122 PolarHBondContact O-N 3.42Å; A120-V122 VanDerWaalsContact C-N 3.28Å; A120-V122 PolarHBondContact O-N 3.07Å; V122-Y124 VanDerWaalsContact C-N 3.29Å; V122-Y124 PolarHBondContact O-N 3.36Å; V122-N125 PolarHBondContact O-N 3.45Å; V122-F126 WeakPolarHBondContact O-CB 3.27Å; V122-F126 PolarHBondContact O-N 3.06Å; V122-V252 HydrophobicContact CG1-CG1 3.79Å; V122-I256 HydrophobicContact CG1-CD1 4.42Å |
| 123 | I | 86.8 | Confident | 85 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 177 | -58.9 | -178.9 | 0 | 0 | 0 | 110.2 | E119 A120 F126 L127 T177 F180 L226 L229 I256 | E119-I123 PolarHBondContact O-N 2.96Å; A120-I123 PolarHBondContact O-N 2.98Å; I123-F126 PolarHBondContact O-N 3.33Å; I123-L127 PolarHBondContact O-N 3.39Å; I123-T177 HydrophobicContact CB-CG2 4.33Å; I123-T177 HydrophobicContact CG2-CG2 3.72Å; I123-F180 HydrophobicContact CD1-CD1 3.96Å; I123-F180 HydrophobicContact CD1-CE1 3.61Å; I123-L226 HydrophobicContact CD1-CD2 3.98Å; I123-L226 HydrophobicContact CD1-CG 4.31Å; I123-L229 HydrophobicContact CG2-CD2 4.39Å; I123-I256 HydrophobicContact CD1-CD1 4.1Å; I123-I256 HydrophobicContact CG1-CD1 3.61Å |
| 124 | Y | 88.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 176 | 172.4 | -92.4 | 0 | 0 | 0 | 113.5 | A120 L121 V122 F126 L127 S128 T177 L178 C181 I349 D352 | A120-Y124 PolarHBondContact O-N 3.12Å; A120-Y124 VanDerWaalsContact O-N 3.14Å; L121-Y124 PolarHBondContact O-N 2.95Å; V122-Y124 VanDerWaalsContact C-N 3.29Å; V122-Y124 PolarHBondContact O-N 3.36Å; Y124-F126 PolarHBondContact O-N 3.42Å; Y124-L127 PolarHBondContact O-N 2.94Å; Y124-S128 WeakPolarHBondContact CE1-OG 3.25Å; Y124-S128 WeakPolarHBondContact O-CB 3.2Å; Y124-S128 PolarHBondContact O-N 3.2Å; Y124-S128 PolarHBondContact O-OG 2.95Å; Y124-T177 VanDerWaalsContact CA-CG2 3.49Å; Y124-L178 HydrophobicContact CD2-CD2 3.69Å; Y124-L178 HydrophobicContact CD2-CG 4.07Å; Y124-L178 HydrophobicContact CE2-CD2 3.39Å; Y124-L178 HydrophobicContact CE2-CG 3.87Å; Y124-C181 WeakPolarHBondContact CB-SG 3.36Å; Y124-I349 HydrophobicContact CD1-CD1 4.11Å; Y124-I349 HydrophobicContact CD1-CG1 4.14Å; Y124-I349 HydrophobicContact CD1-CG2 4.32Å; Y124-I349 HydrophobicContact CE1-CB 4.22Å; Y124-I349 HydrophobicContact CE1-CD1 4.14Å; Y124-I349 HydrophobicContact CE1-CG1 3.66Å; Y124-I349 HydrophobicContact CE1-CG2 4.06Å; Y124-D352 WeakPolarHBondContact OH-CB 3.48Å; Y124-D352 VanDerWaalsContact OH-CG 3.31Å; Y124-D352 PolarHBondContact OH-OD2 3.37Å |
| 125 | N | 88.9 | Confident | 85.1 | Confident | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.2 | -34.7 | -179.7 | -74.9 | -65 | 0 | 0 | 0 | 110.9 | Y80 R83 I84 L121 V122 L129 | Y80-N125 HydrophobicContact CD1-CB 4.18Å; Y80-N125 VanDerWaalsContact CD1-OD1 3.29Å; Y80-N125 WeakPolarHBondContact CD1-OD1 3.49Å; R83-N125 HydrophobicContact CB-CB 4.27Å; R83-N125 WeakPolarHBondContact CD-OD1 3.36Å; R83-N125 PolarHBondContact NH1-OD1 3.5Å; I84-N125 HydrophobicContact CG1-CB 3.99Å; L121-N125 WeakPolarHBondContact O-CB 3.43Å; L121-N125 PolarHBondContact O-N 3.1Å; L121-N125 PolarHBondContact O-ND2 2.95Å; V122-N125 PolarHBondContact O-N 3.45Å; N125-L129 VanDerWaalsContact O-CB 3.28Å; N125-L129 WeakPolarHBondContact O-CB 3.35Å; N125-L129 PolarHBondContact O-N 3.45Å |
| 126 | F | 87.4 | Confident | 85.1 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.6 | -45.5 | 174.9 | -179.8 | -99.5 | 0 | 0 | 0 | 112.3 | I84 V122 I123 Y124 S128 L129 C130 L229 K248 F249 V252 | I84-F126 HydrophobicContact CD1-CB 3.99Å; I84-F126 HydrophobicContact CD1-CD2 4.24Å; V122-F126 WeakPolarHBondContact O-CB 3.27Å; V122-F126 PolarHBondContact O-N 3.06Å; I123-F126 PolarHBondContact O-N 3.33Å; Y124-F126 PolarHBondContact O-N 3.42Å; F126-S128 VanDerWaalsContact C-N 3.34Å; F126-S128 PolarHBondContact O-N 2.9Å; F126-L129 PolarHBondContact O-N 3.48Å; F126-C130 PolarHBondContact O-N 2.94Å; F126-C130 VanDerWaalsContact O-N 3.12Å; F126-C130 PolarHBondContact O-SG 2.9Å; F126-L229 HydrophobicContact CD1-CD1 3.63Å; F126-L229 HydrophobicContact CD1-CD2 3.68Å; F126-L229 HydrophobicContact CD1-CG 4.14Å; F126-L229 HydrophobicContact CE1-CD1 3.94Å; F126-L229 HydrophobicContact CE1-CD2 3.89Å; F126-L229 HydrophobicContact CE1-CG 4.2Å; F126-K248 HydrophobicContact CE2-CB 4.19Å; F126-F249 HydrophobicContact CE1-CB 4.43Å; F126-F249 AromaticContact CE1-CD2 3.63Å; F126-F249 HydrophobicContact CE1-CD2 3.63Å; F126-F249 HydrophobicContact CE1-CE2 4.36Å; F126-F249 HydrophobicContact CE1-CG 4.4Å; F126-F249 HydrophobicContact CZ-CB 3.91Å; F126-F249 AromaticContact CZ-CD2 3.96Å; F126-F249 HydrophobicContact CZ-CD2 3.96Å; F126-F249 HydrophobicContact CZ-CG 4.37Å; F126-V252 HydrophobicContact CB-CG1 4.41Å; F126-V252 HydrophobicContact CD2-CB 4.46Å; F126-V252 HydrophobicContact CD2-CG2 3.87Å; F126-V252 HydrophobicContact CE2-CG2 4.32Å; F126-V252 HydrophobicContact CG-CG1 4.41Å; F126-V252 HydrophobicContact CG-CG2 4.32Å |
| 127 | L | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 173.6 | 179.9 | 65.9 | 0 | 0 | 0 | 110.8 | I123 Y124 L129 C130 Y131 K174 T177 L229 F232 | I123-L127 PolarHBondContact O-N 3.39Å; Y124-L127 PolarHBondContact O-N 2.94Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 3.37Å; L127-C130 WeakPolarHBondContact O-CB 3.31Å; L127-C130 PolarHBondContact O-N 3.46Å; L127-Y131 HydrophobicContact CD1-CD2 4.2Å; L127-Y131 HydrophobicContact CD1-CE2 3.73Å; L127-Y131 HydrophobicContact CD2-CE2 4.17Å; L127-Y131 HydrophobicContact CG-CD2 4.01Å; L127-Y131 HydrophobicContact CG-CE2 3.74Å; L127-Y131 VanDerWaalsContact O-CD2 3.32Å; L127-Y131 WeakPolarHBondContact O-CD2 3.46Å; L127-Y131 PolarHBondContact O-N 3.44Å; L127-Y131 VanDerWaalsContact O-N 3.1Å; L127-K174 HydrophobicContact CD2-CB 4.41Å; L127-T177 HydrophobicContact CD2-CG2 4.3Å; L127-T177 WeakPolarHBondContact CD2-OG1 3.27Å; L127-L229 HydrophobicContact CB-CD1 3.72Å; L127-L229 HydrophobicContact CD1-CD1 3.79Å; L127-L229 HydrophobicContact CG-CD1 4.32Å; L127-F232 HydrophobicContact CD1-CB 4.13Å; L127-F232 HydrophobicContact CD1-CD1 3.78Å; L127-F232 HydrophobicContact CD1-CD2 4.24Å; L127-F232 HydrophobicContact CD1-CE1 4.29Å; L127-F232 HydrophobicContact CD1-CG 3.76Å |
| 128 | S | 87.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 21 Ų | 21 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | -178.9 | -55.5 | 0 | 0 | 0 | 0 | 112 | Y80 Y124 F126 C130 Y131 E132 | Y80-S128 VanDerWaalsContact CE1-CB 3.49Å; Y124-S128 WeakPolarHBondContact CE1-OG 3.25Å; Y124-S128 WeakPolarHBondContact O-CB 3.2Å; Y124-S128 PolarHBondContact O-N 3.2Å; Y124-S128 PolarHBondContact O-OG 2.95Å; F126-S128 VanDerWaalsContact C-N 3.34Å; F126-S128 PolarHBondContact O-N 2.9Å; S128-C130 VanDerWaalsContact C-N 3.31Å; S128-C130 PolarHBondContact O-N 3.43Å; S128-Y131 WeakPolarHBondContact O-CB 3.5Å; S128-Y131 PolarHBondContact O-N 3.47Å; S128-Y131 VanDerWaalsContact O-N 3.16Å; S128-E132 WeakPolarHBondContact O-CG 2.95Å; S128-E132 PolarHBondContact O-N 2.91Å |
| 129 | L | 87.2 | Confident | 84 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 172.5 | 179.1 | 61.3 | 0 | 0 | 0 | 112 | E77 Y80 I81 I84 N125 F126 L127 Y131 E132 Y133 F314 | E77-L129 HydrophobicContact CB-CD1 4.15Å; E77-L129 WeakPolarHBondContact O-CD1 3.11Å; Y80-L129 HydrophobicContact CG-CB 4.41Å; I81-L129 HydrophobicContact CD1-CD1 4.25Å; I81-L129 HydrophobicContact CG1-CD1 3.85Å; I81-L129 HydrophobicContact CG1-CD2 3.64Å; I81-L129 HydrophobicContact CG1-CG 4.42Å; I84-L129 HydrophobicContact CD1-CD2 3.97Å; N125-L129 VanDerWaalsContact O-CB 3.28Å; N125-L129 WeakPolarHBondContact O-CB 3.35Å; N125-L129 PolarHBondContact O-N 3.45Å; F126-L129 PolarHBondContact O-N 3.48Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 3.37Å; L129-Y131 VanDerWaalsContact C-N 3.31Å; L129-Y131 PolarHBondContact O-N 2.71Å; L129-E132 PolarHBondContact O-N 2.87Å; L129-Y133 HydrophobicContact CD1-CD1 4.23Å; L129-Y133 HydrophobicContact CD1-CD2 4.41Å; L129-Y133 HydrophobicContact CD1-CE1 3.77Å; L129-Y133 HydrophobicContact CD1-CE2 3.98Å; L129-Y133 HydrophobicContact CD2-CE2 3.92Å; L129-Y133 HydrophobicContact CG-CD2 4.08Å; L129-Y133 HydrophobicContact CG-CE1 4.39Å; L129-Y133 HydrophobicContact CG-CE2 3.67Å; L129-Y133 PolarHBondContact O-N 3.48Å; L129-F314 HydrophobicContact CD2-CE1 3.69Å; L129-F314 HydrophobicContact CD2-CZ 4.23Å |
| 130 | C | 84.8 | Confident | 83.6 | Confident | 7 Ų | 7 | 21.8 Ų | 21.8 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.8 | -33 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | F126 L127 S128 L134 F232 L240 | F126-C130 PolarHBondContact O-N 2.94Å; F126-C130 VanDerWaalsContact O-N 3.12Å; F126-C130 PolarHBondContact O-SG 2.9Å; L127-C130 WeakPolarHBondContact O-CB 3.31Å; L127-C130 PolarHBondContact O-N 3.46Å; S128-C130 VanDerWaalsContact C-N 3.31Å; S128-C130 PolarHBondContact O-N 3.43Å; C130-L134 WeakPolarHBondContact O-CD1 3.45Å; C130-L134 WeakPolarHBondContact O-CG 3.4Å; C130-L134 PolarHBondContact O-N 2.92Å; C130-F232 HydrophobicContact CB-CD1 4.36Å; C130-F232 HydrophobicContact CB-CE1 3.49Å; C130-F232 VanDerWaalsContact CB-CE1 3.49Å; C130-F232 HydrophobicContact CB-CZ 4.22Å; C130-L240 HydrophobicContact CB-CD1 4.41Å |
| 131 | Y | 85.2 | Confident | 82.9 | Confident | 13 Ų | 13 | 23.7 Ų | 23.7 | 5% | 0.051 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 171.3 | -85.6 | -84.8 | 0 | 0 | 0 | 111.9 | L127 S128 L129 L134 G135 G136 E137 I140 L170 F232 | L127-Y131 HydrophobicContact CD1-CD2 4.2Å; L127-Y131 HydrophobicContact CD1-CE2 3.73Å; L127-Y131 HydrophobicContact CD2-CE2 4.17Å; L127-Y131 HydrophobicContact CG-CD2 4.01Å; L127-Y131 HydrophobicContact CG-CE2 3.74Å; L127-Y131 VanDerWaalsContact O-CD2 3.32Å; L127-Y131 WeakPolarHBondContact O-CD2 3.46Å; L127-Y131 PolarHBondContact O-N 3.44Å; L127-Y131 VanDerWaalsContact O-N 3.1Å; S128-Y131 WeakPolarHBondContact O-CB 3.5Å; S128-Y131 PolarHBondContact O-N 3.47Å; S128-Y131 VanDerWaalsContact O-N 3.16Å; L129-Y131 VanDerWaalsContact C-N 3.31Å; L129-Y131 PolarHBondContact O-N 2.71Å; Y131-L134 PolarHBondContact O-N 3.41Å; Y131-G135 PolarHBondContact O-N 2.87Å; Y131-G136 WeakPolarHBondContact O-CA 3.29Å; Y131-G136 PolarHBondContact O-N 3.3Å; Y131-E137 HydrophobicContact CD1-CG 3.87Å; Y131-E137 HydrophobicContact CE1-CG 3.94Å; Y131-I140 HydrophobicContact CD1-CD1 3.37Å; Y131-I140 HydrophobicContact CE1-CD1 3.84Å; Y131-I140 HydrophobicContact CG-CD1 4.18Å; Y131-L170 HydrophobicContact CE1-CB 4.28Å; Y131-L170 HydrophobicContact CE1-CD2 4.31Å; Y131-L170 VanDerWaalsContact OH-C 3.26Å; Y131-L170 VanDerWaalsContact OH-CA 3.31Å; Y131-L170 WeakPolarHBondContact OH-CA 3.35Å; Y131-L170 WeakPolarHBondContact OH-CB 3.46Å; Y131-L170 PolarHBondContact OH-O 3.21Å; Y131-F232 HydrophobicContact CD1-CE2 4.28Å; Y131-F232 HydrophobicContact CD1-CZ 4.48Å; Y131-F232 HydrophobicContact CD2-CE2 4.15Å; Y131-F232 HydrophobicContact CD2-CZ 4.12Å; Y131-F232 AromaticContact CE1-CE2 3.77Å; Y131-F232 HydrophobicContact CE1-CE2 3.77Å; Y131-F232 HydrophobicContact CE1-CZ 4.4Å; Y131-F232 HydrophobicContact CE2-CD2 4.08Å; Y131-F232 AromaticContact CE2-CE2 3.65Å; Y131-F232 HydrophobicContact CE2-CE2 3.65Å; Y131-F232 HydrophobicContact CE2-CZ 4.07Å; Y131-F232 HydrophobicContact CG-CE2 4.43Å; Y131-F232 HydrophobicContact CG-CZ 4.32Å; Y131-F232 AromaticContact CZ-CD2 3.9Å; Y131-F232 AromaticContact CZ-CE2 3.41Å; Y131-F232 VanDerWaalsContact CZ-CE2 3.41Å |
| 132 | E | 86.8 | Confident | 82.3 | Confident | 50 Ų | 50 | 25.2 Ų | 25.2 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 178.9 | -64.6 | -70.1 | -178 | 0 | 0 | 112.5 | E77 R79 Y80 S128 L129 L134 G135 | E77-E132 HydrophobicContact CG-CB 4.44Å; R79-E132 IonicContact NH2-OE1 3.74Å; R79-E132 PolarHBondContact NH2-OE1 3.5Å; Y80-E132 HydrophobicContact CD2-CG 3.97Å; Y80-E132 HydrophobicContact CE2-CG 3.56Å; S128-E132 WeakPolarHBondContact O-CG 2.95Å; S128-E132 PolarHBondContact O-N 2.91Å; L129-E132 PolarHBondContact O-N 2.87Å; E132-L134 PolarHBondContact O-N 2.82Å; E132-L134 VanDerWaalsContact O-N 3.12Å; E132-G135 PolarHBondContact O-N 3.19Å |
| 133 | Y | 82.8 | Confident | 81.6 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -25.5 | 176.3 | -77.5 | -24.3 | 0 | 0 | 0 | 113.5 | E77 I81 L129 L240 | E77-Y133 HydrophobicContact CB-CE1 4.15Å; E77-Y133 HydrophobicContact CG-CD1 3.92Å; E77-Y133 HydrophobicContact CG-CE1 3.96Å; E77-Y133 WeakPolarHBondContact OE2-CE1 3.4Å; I81-Y133 WeakPolarHBondContact CD1-OH 3.31Å; L129-Y133 HydrophobicContact CD1-CD1 4.23Å; L129-Y133 HydrophobicContact CD1-CD2 4.41Å; L129-Y133 HydrophobicContact CD1-CE1 3.77Å; L129-Y133 HydrophobicContact CD1-CE2 3.98Å; L129-Y133 HydrophobicContact CD2-CE2 3.92Å; L129-Y133 HydrophobicContact CG-CD2 4.08Å; L129-Y133 HydrophobicContact CG-CE1 4.39Å; L129-Y133 HydrophobicContact CG-CE2 3.67Å; L129-Y133 PolarHBondContact O-N 3.48Å; Y133-L240 HydrophobicContact CD2-CD2 4.14Å |
| 134 | L | 80.9 | Confident | 80.8 | Confident | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 5.9 | 178.1 | -64.8 | 164.5 | 0 | 0 | 0 | 113 | C130 Y131 E132 S139 I140 F232 T236 L239 L240 | C130-L134 WeakPolarHBondContact O-CD1 3.45Å; C130-L134 WeakPolarHBondContact O-CG 3.4Å; C130-L134 PolarHBondContact O-N 2.92Å; Y131-L134 PolarHBondContact O-N 3.41Å; E132-L134 PolarHBondContact O-N 2.82Å; E132-L134 VanDerWaalsContact O-N 3.12Å; L134-S139 WeakPolarHBondContact O-CB 3.36Å; L134-S139 PolarHBondContact O-OG 3.25Å; L134-I140 HydrophobicContact CB-CD1 3.7Å; L134-I140 HydrophobicContact CB-CG1 3.32Å; L134-I140 HydrophobicContact CD1-CD1 3.71Å; L134-I140 HydrophobicContact CD1-CG1 3.75Å; L134-I140 HydrophobicContact CG-CD1 4.35Å; L134-I140 HydrophobicContact CG-CG1 4.13Å; L134-F232 HydrophobicContact CD1-CE1 4.36Å; L134-F232 HydrophobicContact CD1-CZ 3.81Å; L134-T236 HydrophobicContact CD1-CG2 3.82Å; L134-L239 HydrophobicContact CD2-CB 3.28Å; L134-L239 HydrophobicContact CD2-CD1 4.09Å; L134-L239 HydrophobicContact CD2-CG 4.33Å; L134-L240 HydrophobicContact CD1-CD1 4.32Å; L134-L240 HydrophobicContact CD1-CG 4.34Å; L134-L240 HydrophobicContact CD2-CG 4.07Å; L134-L240 HydrophobicContact CG-CD2 4.41Å; L134-L240 HydrophobicContact CG-CG 4.24Å |
| 135 | G | 77.5 | Confident | 79.7 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 58% | 0.577 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 21.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y131 E132 | Y131-G135 PolarHBondContact O-N 2.87Å; E132-G135 PolarHBondContact O-N 3.19Å |
| 136 | G | 81.3 | Confident | 78.3 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | 87.3 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y131 S138 S139 I140 | Y131-G136 WeakPolarHBondContact O-CA 3.29Å; Y131-G136 PolarHBondContact O-N 3.3Å; G136-S138 VanDerWaalsContact C-N 3.28Å; G136-S138 PolarHBondContact O-N 2.87Å; G136-S139 PolarHBondContact O-N 3.38Å; G136-I140 WeakPolarHBondContact O-CD1 3.3Å; G136-I140 VanDerWaalsContact O-CG1 3.23Å; G136-I140 WeakPolarHBondContact O-CG1 3.33Å; G136-I140 PolarHBondContact O-N 3.36Å |
| 137 | E | 75.9 | Confident | 77.3 | Confident | 41 Ų | 41 | 46.3 Ų | 46.3 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -37.5 | -172.3 | -67 | -177.9 | -168.6 | 0 | 0 | 113 | Y131 M141 K174 | Y131-E137 HydrophobicContact CD1-CG 3.87Å; Y131-E137 HydrophobicContact CE1-CG 3.94Å; E137-M141 WeakPolarHBondContact O-CB 3.28Å; E137-M141 PolarHBondContact O-N 2.88Å; E137-K174 IonicContact OE1-NZ 3.61Å; E137-K174 PolarHBondContact OE1-NZ 2.83Å |
| 138 | S | 73.4 | Confident | 76 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 72% | 0.72 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.5 | -41.2 | -177.9 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | G136 M141 S142 | G136-S138 VanDerWaalsContact C-N 3.28Å; G136-S138 PolarHBondContact O-N 2.87Å; S138-M141 PolarHBondContact O-N 3.04Å; S138-S142 PolarHBondContact O-N 3.16Å; S138-S142 PolarHBondContact O-OG 3.29Å |
| 139 | S | 77.7 | Confident | 74.9 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70.9 | -42 | -179.6 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | L134 G136 M141 S142 E143 | L134-S139 WeakPolarHBondContact O-CB 3.36Å; L134-S139 PolarHBondContact O-OG 3.25Å; G136-S139 PolarHBondContact O-N 3.38Å; S139-M141 VanDerWaalsContact C-N 3.27Å; S139-M141 PolarHBondContact O-N 3.26Å; S139-S142 WeakPolarHBondContact CA-OG 3.44Å; S139-S142 PolarHBondContact O-N 3.09Å; S139-S142 PolarHBondContact O-OG 3.4Å; S139-E143 WeakPolarHBondContact O-CB 3.39Å; S139-E143 PolarHBondContact O-N 3Å; S139-E143 VanDerWaalsContact O-N 3.08Å |
| 140 | I | 75.1 | Confident | 73.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -45.3 | 171.1 | -62.3 | 168.2 | 0 | 0 | 0 | 110.2 | Y131 L134 G136 S142 E143 I144 L170 F232 T236 | Y131-I140 HydrophobicContact CD1-CD1 3.37Å; Y131-I140 HydrophobicContact CE1-CD1 3.84Å; Y131-I140 HydrophobicContact CG-CD1 4.18Å; L134-I140 HydrophobicContact CB-CD1 3.7Å; L134-I140 HydrophobicContact CB-CG1 3.32Å; L134-I140 HydrophobicContact CD1-CD1 3.71Å; L134-I140 HydrophobicContact CD1-CG1 3.75Å; L134-I140 HydrophobicContact CG-CD1 4.35Å; L134-I140 HydrophobicContact CG-CG1 4.13Å; G136-I140 WeakPolarHBondContact O-CD1 3.3Å; G136-I140 VanDerWaalsContact O-CG1 3.23Å; G136-I140 WeakPolarHBondContact O-CG1 3.33Å; G136-I140 PolarHBondContact O-N 3.36Å; I140-S142 PolarHBondContact O-N 2.93Å; I140-E143 PolarHBondContact O-N 3.39Å; I140-I144 HydrophobicContact CG2-CD1 3.38Å; I140-I144 HydrophobicContact CG2-CG1 4.14Å; I140-I144 WeakPolarHBondContact O-CB 3.17Å; I140-I144 WeakPolarHBondContact O-CG1 3.49Å; I140-I144 PolarHBondContact O-N 2.9Å; I140-L170 HydrophobicContact CB-CD1 4.22Å; I140-L170 HydrophobicContact CG2-CD1 3.56Å; I140-L170 HydrophobicContact CG2-CD2 3.96Å; I140-L170 HydrophobicContact CG2-CG 4.42Å; I140-F232 HydrophobicContact CD1-CE2 4.46Å; I140-F232 HydrophobicContact CD1-CZ 4.38Å; I140-T236 HydrophobicContact CG2-CG2 4.5Å |
| 141 | M | 71.9 | Confident | 71.8 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 21% | 0.207 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 179.1 | -172.7 | 64.2 | -177.5 | 0 | 0 | 111.3 | E137 S138 S139 E143 R145 I167 | E137-M141 WeakPolarHBondContact O-CB 3.28Å; E137-M141 PolarHBondContact O-N 2.88Å; S138-M141 PolarHBondContact O-N 3.04Å; S139-M141 VanDerWaalsContact C-N 3.27Å; S139-M141 PolarHBondContact O-N 3.26Å; M141-E143 VanDerWaalsContact C-N 3.28Å; M141-E143 PolarHBondContact O-N 3.41Å; M141-R145 HydrophobicContact CE-CG 4.27Å; M141-R145 WeakPolarHBondContact O-CB 2.96Å; M141-R145 PolarHBondContact O-N 3.39Å; M141-I167 HydrophobicContact CE-CB 4.36Å; M141-I167 HydrophobicContact SD-CB 4.2Å |
| 142 | S | 74.1 | Confident | 70.5 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.1 | -35.2 | 177.9 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | S138 S139 I140 | S138-S142 PolarHBondContact O-N 3.16Å; S138-S142 PolarHBondContact O-OG 3.29Å; S139-S142 WeakPolarHBondContact CA-OG 3.44Å; S139-S142 PolarHBondContact O-N 3.09Å; S139-S142 PolarHBondContact O-OG 3.4Å; I140-S142 PolarHBondContact O-N 2.93Å |
| 143 | E | 73.9 | Confident | 68.8 | Low | 96 Ų | 96 | 63.5 Ų | 63.5 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -87.7 | -24.7 | -172.7 | -172 | 55.4 | -136.8 | 0 | 0 | 113.5 | S139 I140 M141 K147 L239 | S139-E143 WeakPolarHBondContact O-CB 3.39Å; S139-E143 PolarHBondContact O-N 3Å; S139-E143 VanDerWaalsContact O-N 3.08Å; I140-E143 PolarHBondContact O-N 3.39Å; M141-E143 VanDerWaalsContact C-N 3.28Å; M141-E143 PolarHBondContact O-N 3.41Å; E143-K147 PolarHBondContact O-NZ 3.43Å; E143-K147 VanDerWaalsContact O-NZ 3.17Å; E143-K147 IonicContact OE1-NZ 2.98Å; E143-K147 PolarHBondContact OE1-NZ 2.99Å; E143-L239 HydrophobicContact CB-CD1 4.08Å; E143-L239 HydrophobicContact CG-CD1 3.55Å; E143-L239 HydrophobicContact CG-CD2 3.37Å; E143-L239 HydrophobicContact CG-CG 4.08Å |
| 144 | I | 70.1 | Confident | 67.3 | Low | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -104.2 | -16.3 | -176.7 | -50.4 | -176.9 | 0 | 0 | 0 | 111.7 | I140 G146 K147 Y165 T236 L239 | I140-I144 HydrophobicContact CG2-CD1 3.38Å; I140-I144 HydrophobicContact CG2-CG1 4.14Å; I140-I144 WeakPolarHBondContact O-CB 3.17Å; I140-I144 WeakPolarHBondContact O-CG1 3.49Å; I140-I144 PolarHBondContact O-N 2.9Å; I144-G146 PolarHBondContact O-N 2.72Å; I144-G146 VanDerWaalsContact O-N 3.09Å; I144-K147 PolarHBondContact O-N 2.71Å; I144-K147 VanDerWaalsContact O-N 3.16Å; I144-Y165 HydrophobicContact CG2-CD1 3.94Å; I144-Y165 HydrophobicContact CG2-CD2 3.32Å; I144-Y165 HydrophobicContact CG2-CE2 4.13Å; I144-Y165 HydrophobicContact CG2-CG 3.2Å; I144-T236 HydrophobicContact CD1-CG2 3.55Å; I144-L239 HydrophobicContact CD1-CD1 4Å; I144-L239 HydrophobicContact CG1-CD1 3.79Å |
| 145 | R | 65.6 | Low | 66.1 | Low | 193 Ų | 193 | 73 Ų | 73 | 73% | 0.728 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 117.1 | 178.8 | -170.8 | 176.7 | -162.2 | -146.6 | 4.5 | 111.2 | M141 | M141-R145 HydrophobicContact CE-CG 4.27Å; M141-R145 WeakPolarHBondContact O-CB 2.96Å; M141-R145 PolarHBondContact O-N 3.39Å |
| 146 | G | 58.5 | Low | 65.1 | Low | 59 Ų | 59 | 71.7 Ų | 71.7 | 61% | 0.608 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -8.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I144 | I144-G146 PolarHBondContact O-N 2.72Å; I144-G146 VanDerWaalsContact O-N 3.09Å |
| 147 | K | 65.7 | Low | 64 | Low | 99 Ų | 99 | 71 Ų | 71 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 128.7 | 170.8 | -67.4 | 179.2 | -174.6 | 159.6 | 0 | 109.4 | E143 I144 Y165 | E143-K147 PolarHBondContact O-NZ 3.43Å; E143-K147 VanDerWaalsContact O-NZ 3.17Å; E143-K147 IonicContact OE1-NZ 2.98Å; E143-K147 PolarHBondContact OE1-NZ 2.99Å; I144-K147 PolarHBondContact O-N 2.71Å; I144-K147 VanDerWaalsContact O-N 3.16Å; K147-Y165 HydrophobicContact CB-CD2 4.1Å; K147-Y165 HydrophobicContact CB-CE2 4.44Å; K147-Y165 VanDerWaalsContact O-CD2 3.25Å; K147-Y165 WeakPolarHBondContact O-CD2 3.5Å |
| 148 | P | 61.3 | Low | 63.1 | Low | 101 Ų | 101 | 72.3 Ų | 72.3 | 66% | 0.656 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -68.7 | 144.8 | 174.2 | 27.8 | -32.3 | 0 | 0 | 0 | 110.1 | E150 | P148-E150 PolarHBondContact O-N 2.97Å |
| 149 | I | 63.8 | Low | 62 | Low | 14 Ų | 14 | 72.8 Ų | 72.8 | 7% | 0.072 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 119.2 | 169.9 | -64.4 | 173.2 | 0 | 0 | 0 | 107.2 | S151 L160 K163 Y165 | I149-S151 VanDerWaalsContact C-N 3.34Å; I149-S151 PolarHBondContact O-N 2.89Å; I149-L160 HydrophobicContact CD1-CB 4.37Å; I149-K163 HydrophobicContact CD1-CB 4.04Å; I149-K163 VanDerWaalsContact CD1-O 3.22Å; I149-K163 WeakPolarHBondContact CD1-O 3.45Å; I149-K163 WeakPolarHBondContact CG1-O 3.34Å; I149-Y165 HydrophobicContact CD1-CD1 4.44Å; I149-Y165 HydrophobicContact CD1-CE1 4.38Å; I149-Y165 HydrophobicContact CG1-CD1 3.97Å; I149-Y165 HydrophobicContact CG1-CD2 4.23Å; I149-Y165 HydrophobicContact CG1-CE1 3.72Å; I149-Y165 HydrophobicContact CG1-CE2 4.05Å; I149-Y165 HydrophobicContact CG1-CG 4.2Å |
| 150 | E | 55.9 | Low | 60.9 | Low | 146 Ų | 146 | 71.5 Ų | 71.5 | 68% | 0.682 | 41% | 0.41 | S | S | * | . | trans | -66.3 | 98.5 | 168.1 | -73.8 | -161 | 162 | 0 | 0 | 108.6 | P148 F234 | P148-E150 PolarHBondContact O-N 2.97Å; E150-F234 HydrophobicContact CB-CE1 4.31Å | ||
| 151 | S | 51 | Low | 59.4 | Low | 33 Ų | 33 | 80.5 Ų | 80.5 | 23% | 0.231 | 44% | 0.443 | C | S | . | . | trans | -79.7 | 119.6 | 179 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | I149 W161 | I149-S151 VanDerWaalsContact C-N 3.34Å; I149-S151 PolarHBondContact O-N 2.89Å; S151-W161 WeakPolarHBondContact OG-CZ3 3.4Å | ||
| 152 | S | 57.6 | Low | 58.4 | Low | 37 Ų | 37 | 81.9 Ų | 81.9 | 26% | 0.259 | 47% | 0.468 | S | S | . | . | trans | -133.8 | 130.2 | 171.6 | 155.2 | 0 | 0 | 0 | 0 | 110.3 | V154 Y155 T157 | S152-V154 PolarHBondContact O-N 3.34Å; S152-V154 PolarHBondContact OG-N 2.76Å; S152-Y155 PolarHBondContact O-N 2.83Å; S152-Y155 WeakPolarHBondContact OG-CD2 3.07Å; S152-T157 PolarHBondContact N-OG1 3.22Å; S152-T157 PolarHBondContact O-N 2.86Å; S152-T157 PolarHBondContact O-OG1 3.4Å | ||
| 153 | C | 49.8 | Very low | 57.6 | Low | 106 Ų | 106 | 84 Ų | 84 | 72% | 0.716 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -57.9 | -31.1 | -179.7 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | Y155 G156 | C153-Y155 VanDerWaalsContact C-N 3.29Å; C153-Y155 PolarHBondContact O-N 3.41Å; C153-G156 PolarHBondContact O-N 3.17Å |
| 154 | V | 52.4 | Low | 56.9 | Low | 128 Ų | 128 | 83.4 Ų | 83.4 | 78% | 0.776 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -66.3 | -30.3 | 178.5 | -178 | 0 | 0 | 0 | 0 | 112.2 | S152 | S152-V154 PolarHBondContact O-N 3.34Å; S152-V154 PolarHBondContact OG-N 2.76Å |
| 155 | Y | 55.3 | Low | 56.7 | Low | 109 Ų | 109 | 84.2 Ų | 84.2 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -95.5 | 9.1 | -178.7 | -59.8 | -61.7 | 0 | 0 | 0 | 113.1 | S152 C153 T157 F230 F234 | S152-Y155 PolarHBondContact O-N 2.83Å; S152-Y155 WeakPolarHBondContact OG-CD2 3.07Å; C153-Y155 VanDerWaalsContact C-N 3.29Å; C153-Y155 PolarHBondContact O-N 3.41Å; Y155-T157 PolarHBondContact O-N 3.2Å; Y155-F230 HydrophobicContact CD1-CE1 4.17Å; Y155-F230 AromaticContact CD1-CZ 3.77Å; Y155-F230 HydrophobicContact CD1-CZ 3.77Å; Y155-F230 HydrophobicContact CE1-CZ 4.41Å; Y155-F234 HydrophobicContact CE2-CE2 4.49Å |
| 156 | G | 55.6 | Low | 56.8 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 18.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C153 C158 Y227 | C153-G156 PolarHBondContact O-N 3.17Å; G156-C158 VanDerWaalsContact C-N 3.26Å; G156-C158 PolarHBondContact O-N 3.26Å; G156-Y227 PolarHBondContact O-OH 2.9Å |
| 157 | T | 59.2 | Low | 57.5 | Low | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.012 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -87.8 | 9.6 | 179 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | S152 Y155 C159 L160 L231 | S152-T157 PolarHBondContact N-OG1 3.22Å; S152-T157 PolarHBondContact O-N 2.86Å; S152-T157 PolarHBondContact O-OG1 3.4Å; Y155-T157 PolarHBondContact O-N 3.2Å; T157-C159 PolarHBondContact O-N 3.04Å; T157-L160 HydrophobicContact CG2-CD1 4.28Å; T157-L160 WeakPolarHBondContact O-CA 3.43Å; T157-L160 WeakPolarHBondContact O-CB 3.28Å; T157-L160 PolarHBondContact O-N 3.37Å; T157-L231 HydrophobicContact CG2-CD2 3.47Å; T157-L231 VanDerWaalsContact CG2-CD2 3.47Å |
| 158 | C | 56.6 | Low | 57.8 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -56.1 | -32.1 | 176.8 | 42.3 | 0 | 0 | 0 | 0 | 112.9 | G156 L160 | G156-C158 VanDerWaalsContact C-N 3.26Å; G156-C158 PolarHBondContact O-N 3.26Å; C158-L160 VanDerWaalsContact C-N 3.27Å; C158-L160 PolarHBondContact O-N 3.18Å |
| 159 | C | 51 | Low | 58.7 | Low | 113 Ų | 113 | 69.7 Ų | 69.7 | 76% | 0.764 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -77 | -8 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 114.4 | T157 | T157-C159 PolarHBondContact O-N 3.04Š|
| 160 | L | 53.5 | Low | 59.5 | Low | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -107.5 | 10.6 | -179.7 | -69.9 | 161.1 | 0 | 0 | 0 | 112.2 | I149 T157 C158 G162 K163 F169 L231 | I149-L160 HydrophobicContact CD1-CB 4.37Å; T157-L160 HydrophobicContact CG2-CD1 4.28Å; T157-L160 WeakPolarHBondContact O-CA 3.43Å; T157-L160 WeakPolarHBondContact O-CB 3.28Å; T157-L160 PolarHBondContact O-N 3.37Å; C158-L160 VanDerWaalsContact C-N 3.27Å; C158-L160 PolarHBondContact O-N 3.18Å; L160-G162 PolarHBondContact O-N 3.17Å; L160-K163 HydrophobicContact CD2-CD 4.47Å; L160-K163 PolarHBondContact O-N 2.92Å; L160-F169 HydrophobicContact CD1-CE2 4.48Å; L160-L231 HydrophobicContact CD1-CD1 3.81Å; L160-L231 HydrophobicContact CD1-CD2 3.84Å; L160-L231 HydrophobicContact CD1-CG 4.49Å |
| 161 | W | 43.7 | Very low | 60.7 | Low | 189 Ų | 189 | 64 Ų | 64 | 72% | 0.716 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 124.1 | 179.1 | -165.5 | -82.2 | 0 | 0 | 0 | 111.5 | S151 K163 | S151-W161 WeakPolarHBondContact OG-CZ3 3.4Å; W161-K163 VanDerWaalsContact C-N 3.3Å; W161-K163 PolarHBondContact O-N 3.43Å |
| 162 | G | 51.3 | Low | 62.3 | Low | 71 Ų | 71 | 66.7 Ų | 66.7 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 5.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L160 | L160-G162 PolarHBondContact O-N 3.17Š|
| 163 | K | 57.7 | Low | 63.6 | Low | 134 Ų | 134 | 64.9 Ų | 64.9 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 136.5 | 168.5 | -73.2 | -166.3 | 178 | 168.1 | 0 | 110.3 | I149 L160 W161 | I149-K163 HydrophobicContact CD1-CB 4.04Å; I149-K163 VanDerWaalsContact CD1-O 3.22Å; I149-K163 WeakPolarHBondContact CD1-O 3.45Å; I149-K163 WeakPolarHBondContact CG1-O 3.34Å; L160-K163 HydrophobicContact CD2-CD 4.47Å; L160-K163 PolarHBondContact O-N 2.92Å; W161-K163 VanDerWaalsContact C-N 3.3Å; W161-K163 PolarHBondContact O-N 3.43Å |
| 164 | T | 59.1 | Low | 65.3 | Low | 83 Ų | 83 | 60.5 Ų | 60.5 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 149.5 | 167.9 | 53.6 | 0 | 0 | 0 | 0 | 109.3 | S166 | T164-S166 PolarHBondContact O-N 3.36Å |
| 165 | Y | 65.7 | Low | 66.9 | Low | 25 Ų | 25 | 57.5 Ų | 57.5 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -56 | 118.4 | 166.6 | -67.9 | -68.2 | 0 | 0 | 0 | 109.5 | I144 K147 I149 F169 A235 | I144-Y165 HydrophobicContact CG2-CD1 3.94Å; I144-Y165 HydrophobicContact CG2-CD2 3.32Å; I144-Y165 HydrophobicContact CG2-CE2 4.13Å; I144-Y165 HydrophobicContact CG2-CG 3.2Å; K147-Y165 HydrophobicContact CB-CD2 4.1Å; K147-Y165 HydrophobicContact CB-CE2 4.44Å; K147-Y165 VanDerWaalsContact O-CD2 3.25Å; K147-Y165 WeakPolarHBondContact O-CD2 3.5Å; I149-Y165 HydrophobicContact CD1-CD1 4.44Å; I149-Y165 HydrophobicContact CD1-CE1 4.38Å; I149-Y165 HydrophobicContact CG1-CD1 3.97Å; I149-Y165 HydrophobicContact CG1-CD2 4.23Å; I149-Y165 HydrophobicContact CG1-CE1 3.72Å; I149-Y165 HydrophobicContact CG1-CE2 4.05Å; I149-Y165 HydrophobicContact CG1-CG 4.2Å; Y165-F169 AromaticContact CD1-CD1 4Å; Y165-F169 HydrophobicContact CD1-CD1 4Å; Y165-F169 AromaticContact CD1-CE1 3.96Å; Y165-F169 HydrophobicContact CD1-CE1 3.96Å; Y165-F169 HydrophobicContact CE1-CE1 4.05Å; Y165-F169 HydrophobicContact CE1-CZ 4.32Å; Y165-A235 HydrophobicContact CD1-CB 3.89Å; Y165-A235 HydrophobicContact CE1-CB 3.15Å; Y165-A235 WeakPolarHBondContact OH-CA 3.14Å |
| 166 | S | 68.8 | Low | 68.5 | Low | 51 Ų | 51 | 52.6 Ų | 52.6 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | trans | -133 | 158.7 | -174.2 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | T164 G168 F169 L170 | T164-S166 PolarHBondContact O-N 3.36Å; S166-G168 PolarHBondContact O-N 3.24Å; S166-F169 WeakPolarHBondContact O-CB 3.27Å; S166-F169 PolarHBondContact O-N 3.5Å; S166-L170 PolarHBondContact O-N 2.96Å | ||
| 167 | I | 71.9 | Confident | 70 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -50.8 | -33.6 | 174.3 | -164.1 | 76 | 0 | 0 | 0 | 111.8 | M141 F169 L170 R171 T365 | M141-I167 HydrophobicContact CE-CB 4.36Å; M141-I167 HydrophobicContact SD-CB 4.2Å; I167-F169 VanDerWaalsContact C-N 3.33Å; I167-F169 PolarHBondContact O-N 3.49Å; I167-L170 PolarHBondContact O-N 3.03Å; I167-R171 WeakPolarHBondContact O-CB 3.46Å; I167-R171 WeakPolarHBondContact O-CD 3.38Å; I167-R171 VanDerWaalsContact O-CG 3.27Å; I167-R171 WeakPolarHBondContact O-CG 3.19Å; I167-R171 PolarHBondContact O-N 3.17Å; I167-R171 VanDerWaalsContact O-N 3.08Å; I167-T365 HydrophobicContact CG2-CG2 4.11Å |
| 168 | G | 73.4 | Confident | 71.3 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -30.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S166 F172 | S166-G168 PolarHBondContact O-N 3.24Å; G168-F172 WeakPolarHBondContact O-CB 3.38Å; G168-F172 PolarHBondContact O-N 3.35Å |
| 169 | F | 80.1 | Confident | 72.9 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.7 | -47.5 | 176.9 | 169.3 | -97.1 | 0 | 0 | 0 | 111.4 | L160 Y165 S166 I167 R171 F172 C173 L231 A235 | L160-F169 HydrophobicContact CD1-CE2 4.48Å; Y165-F169 AromaticContact CD1-CD1 4Å; Y165-F169 HydrophobicContact CD1-CD1 4Å; Y165-F169 AromaticContact CD1-CE1 3.96Å; Y165-F169 HydrophobicContact CD1-CE1 3.96Å; Y165-F169 HydrophobicContact CE1-CE1 4.05Å; Y165-F169 HydrophobicContact CE1-CZ 4.32Å; S166-F169 WeakPolarHBondContact O-CB 3.27Å; S166-F169 PolarHBondContact O-N 3.5Å; I167-F169 VanDerWaalsContact C-N 3.33Å; I167-F169 PolarHBondContact O-N 3.49Å; F169-R171 VanDerWaalsContact C-N 3.26Å; F169-R171 PolarHBondContact O-N 3.08Å; F169-F172 WeakPolarHBondContact O-CB 3.5Å; F169-F172 PolarHBondContact O-N 3.5Å; F169-C173 PolarHBondContact O-N 3.26Å; F169-C173 PolarHBondContact O-SG 3.49Å; F169-C173 VanDerWaalsContact O-SG 3.39Å; F169-L231 HydrophobicContact CE2-CB 4.06Å; F169-L231 HydrophobicContact CE2-CD1 4.24Å; F169-L231 HydrophobicContact CZ-CB 3.84Å; F169-A235 HydrophobicContact CE1-CB 3.9Å; F169-A235 HydrophobicContact CZ-CB 4.31Å |
| 170 | L | 80.4 | Confident | 74.7 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 175.9 | -66.9 | 179.1 | 0 | 0 | 0 | 110.9 | Y131 I140 S166 I167 C173 K174 F232 | Y131-L170 HydrophobicContact CE1-CB 4.28Å; Y131-L170 HydrophobicContact CE1-CD2 4.31Å; Y131-L170 VanDerWaalsContact OH-C 3.26Å; Y131-L170 VanDerWaalsContact OH-CA 3.31Å; Y131-L170 WeakPolarHBondContact OH-CA 3.35Å; Y131-L170 WeakPolarHBondContact OH-CB 3.46Å; Y131-L170 PolarHBondContact OH-O 3.21Å; I140-L170 HydrophobicContact CB-CD1 4.22Å; I140-L170 HydrophobicContact CG2-CD1 3.56Å; I140-L170 HydrophobicContact CG2-CD2 3.96Å; I140-L170 HydrophobicContact CG2-CG 4.42Å; S166-L170 PolarHBondContact O-N 2.96Å; I167-L170 PolarHBondContact O-N 3.03Å; L170-C173 WeakPolarHBondContact O-CB 3.21Å; L170-C173 PolarHBondContact O-N 2.72Å; L170-K174 PolarHBondContact O-N 3.4Å; L170-F232 HydrophobicContact CD2-CD2 3.74Å; L170-F232 HydrophobicContact CD2-CE2 3.68Å |
| 171 | R | 79.9 | Confident | 76.3 | Confident | 32 Ų | 32 | 45 Ų | 45 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 174.3 | -75.6 | 168 | 168.3 | -122.2 | -30.9 | 113.6 | I167 F169 C173 K174 Q175 Y361 | I167-R171 WeakPolarHBondContact O-CB 3.46Å; I167-R171 WeakPolarHBondContact O-CD 3.38Å; I167-R171 VanDerWaalsContact O-CG 3.27Å; I167-R171 WeakPolarHBondContact O-CG 3.19Å; I167-R171 PolarHBondContact O-N 3.17Å; I167-R171 VanDerWaalsContact O-N 3.08Å; F169-R171 VanDerWaalsContact C-N 3.26Å; F169-R171 PolarHBondContact O-N 3.08Å; R171-C173 PolarHBondContact O-N 3.28Å; R171-K174 PolarHBondContact O-N 3Å; R171-K174 VanDerWaalsContact O-N 3.15Å; R171-Q175 VanDerWaalsContact O-CB 3.27Å; R171-Q175 WeakPolarHBondContact O-CB 3.41Å; R171-Q175 VanDerWaalsContact O-CG 3.25Å; R171-Q175 WeakPolarHBondContact O-CG 3.14Å; R171-Q175 PolarHBondContact O-N 2.93Å; R171-Y361 VanDerWaalsContact CZ-CZ 3.47Å |
| 172 | F | 84.8 | Confident | 78.4 | Confident | 88 Ų | 88 | 39.9 Ų | 39.9 | 39% | 0.386 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.6 | -43.6 | 174.8 | 169.9 | -98.5 | 0 | 0 | 0 | 110.5 | G168 F169 K174 Q175 A176 L224 | G168-F172 WeakPolarHBondContact O-CB 3.38Å; G168-F172 PolarHBondContact O-N 3.35Å; F169-F172 WeakPolarHBondContact O-CB 3.5Å; F169-F172 PolarHBondContact O-N 3.5Å; F172-K174 PolarHBondContact O-N 3.23Å; F172-Q175 PolarHBondContact O-N 3.01Å; F172-A176 VanDerWaalsContact O-CB 3.26Å; F172-A176 WeakPolarHBondContact O-CB 3.29Å; F172-A176 PolarHBondContact O-N 3.45Å; F172-L224 HydrophobicContact CZ-CD1 4.21Å |
| 173 | C | 84.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.9 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | F169 L170 R171 A176 T177 A228 F232 | F169-C173 PolarHBondContact O-N 3.26Å; F169-C173 PolarHBondContact O-SG 3.49Å; F169-C173 VanDerWaalsContact O-SG 3.39Å; L170-C173 WeakPolarHBondContact O-CB 3.21Å; L170-C173 PolarHBondContact O-N 2.72Å; R171-C173 PolarHBondContact O-N 3.28Å; C173-A176 PolarHBondContact O-N 2.81Å; C173-T177 PolarHBondContact O-N 3.12Å; C173-T177 VanDerWaalsContact O-N 3.16Å; C173-T177 PolarHBondContact O-OG1 2.99Å; C173-A228 HydrophobicContact CB-CB 4.3Å; C173-A228 PolarHBondContact SG-O 3.49Å; C173-A228 VanDerWaalsContact SG-O 3.37Å; C173-F232 HydrophobicContact CB-CB 4.22Å |
| 174 | K | 86 | Confident | 81.6 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 178.3 | -163.3 | 165.8 | 177.6 | -179.7 | 0 | 112.2 | L127 E137 L170 R171 F172 T177 L178 D352 N356 | L127-K174 HydrophobicContact CD2-CB 4.41Å; E137-K174 IonicContact OE1-NZ 3.61Å; E137-K174 PolarHBondContact OE1-NZ 2.83Å; L170-K174 PolarHBondContact O-N 3.4Å; R171-K174 PolarHBondContact O-N 3Å; R171-K174 VanDerWaalsContact O-N 3.15Å; F172-K174 PolarHBondContact O-N 3.23Å; K174-T177 PolarHBondContact O-N 3.23Å; K174-L178 HydrophobicContact CG-CD1 4.14Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 WeakPolarHBondContact O-CG 3.39Å; K174-L178 PolarHBondContact O-N 3.4Å; K174-D352 WeakPolarHBondContact CE-OD1 3.42Å; K174-D352 IonicContact NZ-OD1 4Å; K174-D352 PolarHBondContact NZ-OD1 3.3Å; K174-D352 IonicContact NZ-OD2 3.51Å; K174-N356 VanDerWaalsContact CD-ND2 3.3Å; K174-N356 WeakPolarHBondContact CD-ND2 3.43Å; K174-N356 WeakPolarHBondContact CE-ND2 3.47Å |
| 175 | Q | 86.5 | Confident | 82.9 | Confident | 66 Ų | 66 | 30.2 Ų | 30.2 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.3 | -74.6 | 174.6 | -16.5 | 0 | 0 | 112 | R171 F172 L178 Q179 N356 F357 | R171-Q175 VanDerWaalsContact O-CB 3.27Å; R171-Q175 WeakPolarHBondContact O-CB 3.41Å; R171-Q175 VanDerWaalsContact O-CG 3.25Å; R171-Q175 WeakPolarHBondContact O-CG 3.14Å; R171-Q175 PolarHBondContact O-N 2.93Å; F172-Q175 PolarHBondContact O-N 3.01Å; Q175-L178 PolarHBondContact O-N 2.97Å; Q175-Q179 VanDerWaalsContact O-CB 3.24Å; Q175-Q179 WeakPolarHBondContact O-CB 3.13Å; Q175-Q179 PolarHBondContact O-N 3.36Å; Q175-N356 HydrophobicContact CG-CB 4.25Å; Q175-N356 PolarHBondContact NE2-O 3.12Å; Q175-F357 HydrophobicContact CB-CE1 4.44Å; Q175-F357 HydrophobicContact CB-CZ 4.31Å; Q175-F357 HydrophobicContact CG-CE1 4.28Å; Q175-F357 HydrophobicContact CG-CZ 4.37Å |
| 176 | A | 87.9 | Confident | 83.9 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F172 C173 Q179 F180 L224 A228 | F172-A176 VanDerWaalsContact O-CB 3.26Å; F172-A176 WeakPolarHBondContact O-CB 3.29Å; F172-A176 PolarHBondContact O-N 3.45Å; C173-A176 PolarHBondContact O-N 2.81Å; A176-Q179 PolarHBondContact O-N 3.14Å; A176-F180 PolarHBondContact O-N 2.98Å; A176-L224 HydrophobicContact CB-CG 4.25Å; A176-A228 HydrophobicContact CB-CB 3.58Å |
| 177 | T | 87.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.1 | -39.1 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | I123 Y124 L127 C173 K174 Q179 F180 C181 | I123-T177 HydrophobicContact CB-CG2 4.33Å; I123-T177 HydrophobicContact CG2-CG2 3.72Å; Y124-T177 VanDerWaalsContact CA-CG2 3.49Å; L127-T177 HydrophobicContact CD2-CG2 4.3Å; L127-T177 WeakPolarHBondContact CD2-OG1 3.27Å; C173-T177 PolarHBondContact O-N 3.12Å; C173-T177 VanDerWaalsContact O-N 3.16Å; C173-T177 PolarHBondContact O-OG1 2.99Å; K174-T177 PolarHBondContact O-N 3.23Å; T177-Q179 VanDerWaalsContact C-N 3.34Å; T177-F180 PolarHBondContact O-N 2.91Å; T177-C181 PolarHBondContact O-N 2.87Å; T177-C181 PolarHBondContact O-SG 3.34Å; T177-C181 VanDerWaalsContact O-SG 3.34Å |
| 178 | L | 86.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65 | -37 | 173.5 | -79.3 | 167.1 | 0 | 0 | 0 | 112.2 | Y124 K174 Q175 F180 C181 V182 I349 A353 N356 F357 | Y124-L178 HydrophobicContact CD2-CD2 3.69Å; Y124-L178 HydrophobicContact CD2-CG 4.07Å; Y124-L178 HydrophobicContact CE2-CD2 3.39Å; Y124-L178 HydrophobicContact CE2-CG 3.87Å; K174-L178 HydrophobicContact CG-CD1 4.14Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 WeakPolarHBondContact O-CG 3.39Å; K174-L178 PolarHBondContact O-N 3.4Å; Q175-L178 PolarHBondContact O-N 2.97Å; L178-F180 VanDerWaalsContact C-N 3.29Å; L178-F180 PolarHBondContact O-N 3.34Å; L178-C181 WeakPolarHBondContact O-CB 3.45Å; L178-C181 PolarHBondContact O-N 3.47Å; L178-C181 VanDerWaalsContact O-N 3.12Å; L178-V182 PolarHBondContact O-N 3.37Å; L178-V182 VanDerWaalsContact O-N 3.15Å; L178-I349 HydrophobicContact CD2-CG2 4.32Å; L178-A353 HydrophobicContact CD2-CB 4.25Å; L178-N356 HydrophobicContact CD1-CB 4.01Å; L178-F357 HydrophobicContact CB-CE2 3.84Å; L178-F357 HydrophobicContact CB-CZ 4.33Å; L178-F357 HydrophobicContact CD1-CE2 4.2Å |
| 179 | Q | 90.9 | Very high | 85.9 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 174.7 | 175.1 | -84.3 | -20.9 | 0 | 0 | 110.7 | Q175 A176 T177 C181 V182 V183 S221 | Q175-Q179 VanDerWaalsContact O-CB 3.24Å; Q175-Q179 WeakPolarHBondContact O-CB 3.13Å; Q175-Q179 PolarHBondContact O-N 3.36Å; A176-Q179 PolarHBondContact O-N 3.14Å; T177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-C181 VanDerWaalsContact C-N 3.35Å; Q179-C181 PolarHBondContact O-N 3.42Å; Q179-V182 PolarHBondContact O-N 3.36Å; Q179-V183 HydrophobicContact CG-CG2 4.29Å; Q179-V183 WeakPolarHBondContact O-CB 3.47Å; Q179-V183 WeakPolarHBondContact O-CG2 3.41Å; Q179-V183 PolarHBondContact O-N 2.9Å; Q179-S221 PolarHBondContact NE2-OG 3.24Å; Q179-S221 PolarHBondContact OE1-OG 3Å |
| 180 | F | 89 | Confident | 86.1 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 175.9 | -178.1 | -119 | 0 | 0 | 0 | 112.8 | A120 I123 A176 T177 L178 V182 V183 K184 Y218 V222 A225 | A120-F180 HydrophobicContact CB-CD1 3.53Å; A120-F180 HydrophobicContact CB-CE1 3.58Å; A120-F180 HydrophobicContact CB-CG 4.31Å; A120-F180 HydrophobicContact CB-CZ 4.38Å; I123-F180 HydrophobicContact CD1-CD1 3.96Å; I123-F180 HydrophobicContact CD1-CE1 3.61Å; A176-F180 PolarHBondContact O-N 2.98Å; T177-F180 PolarHBondContact O-N 2.91Å; L178-F180 VanDerWaalsContact C-N 3.29Å; L178-F180 PolarHBondContact O-N 3.34Å; F180-V182 PolarHBondContact O-N 3.24Å; F180-V183 PolarHBondContact O-N 3.42Å; F180-K184 HydrophobicContact CE1-CD 4.17Å; F180-K184 HydrophobicContact CE2-CB 4.48Å; F180-K184 HydrophobicContact CE2-CD 3.86Å; F180-K184 HydrophobicContact CZ-CD 3.52Å; F180-K184 WeakPolarHBondContact O-CB 3.46Å; F180-K184 PolarHBondContact O-N 3.23Å; F180-Y218 HydrophobicContact CE2-CD2 4.27Å; F180-Y218 HydrophobicContact CE2-CE2 4.05Å; F180-Y218 HydrophobicContact CZ-CE2 4.12Å; F180-V222 HydrophobicContact CD2-CB 4.3Å; F180-V222 HydrophobicContact CE1-CG2 4.15Å; F180-V222 HydrophobicContact CE2-CB 3.59Å; F180-V222 HydrophobicContact CE2-CG2 3.88Å; F180-V222 HydrophobicContact CZ-CB 3.81Å; F180-V222 HydrophobicContact CZ-CG2 3.54Å; F180-A225 HydrophobicContact CB-CB 3.7Å; F180-A225 HydrophobicContact CD1-CB 4.31Å; F180-A225 HydrophobicContact CG-CB 4.07Å |
| 181 | C | 86.9 | Confident | 86.2 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -29 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 113.8 | A120 Y124 T177 L178 Q179 P185 | A120-C181 HydrophobicContact CB-CB 4.48Å; A120-C181 PolarHBondContact O-SG 3.19Å; Y124-C181 WeakPolarHBondContact CB-SG 3.36Å; T177-C181 PolarHBondContact O-N 2.87Å; T177-C181 PolarHBondContact O-SG 3.34Å; T177-C181 VanDerWaalsContact O-SG 3.34Å; L178-C181 WeakPolarHBondContact O-CB 3.45Å; L178-C181 PolarHBondContact O-N 3.47Å; L178-C181 VanDerWaalsContact O-N 3.12Å; Q179-C181 VanDerWaalsContact C-N 3.35Å; Q179-C181 PolarHBondContact O-N 3.42Å; C181-P185 WeakPolarHBondContact O-CD 3.27Å; C181-P185 WeakPolarHBondContact O-CG 3.42Å |
| 182 | V | 88.1 | Confident | 86.4 | Confident | 82 Ų | 82 | 37.3 Ų | 37.3 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -88.8 | -42.8 | 176.9 | 177 | 0 | 0 | 0 | 0 | 111 | L178 Q179 F180 K184 P185 L186 | L178-V182 PolarHBondContact O-N 3.37Å; L178-V182 VanDerWaalsContact O-N 3.15Å; Q179-V182 PolarHBondContact O-N 3.36Å; F180-V182 PolarHBondContact O-N 3.24Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 2.88Å; V182-P185 WeakPolarHBondContact O-CD 3.2Å; V182-L186 HydrophobicContact CG1-CD1 3.87Å; V182-L186 VanDerWaalsContact O-CG 3.3Å; V182-L186 WeakPolarHBondContact O-CG 3.47Å; V182-L186 PolarHBondContact O-N 3.46Å |
| 183 | V | 88.7 | Confident | 86.4 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 16% | 0.158 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -37.3 | -178.2 | 165.9 | 0 | 0 | 0 | 0 | 111.6 | Q179 F180 L186 M187 I217 | Q179-V183 HydrophobicContact CG-CG2 4.29Å; Q179-V183 WeakPolarHBondContact O-CB 3.47Å; Q179-V183 WeakPolarHBondContact O-CG2 3.41Å; Q179-V183 PolarHBondContact O-N 2.9Å; F180-V183 PolarHBondContact O-N 3.42Å; V183-L186 WeakPolarHBondContact O-CB 3.45Å; V183-L186 PolarHBondContact O-N 3.11Å; V183-M187 HydrophobicContact CG1-CE 4.19Å; V183-M187 HydrophobicContact CG1-CG 3.87Å; V183-M187 VanDerWaalsContact O-CG 3.28Å; V183-M187 WeakPolarHBondContact O-CG 3.24Å; V183-M187 PolarHBondContact O-N 3.34Å; V183-I217 HydrophobicContact CG1-CG2 4.32Å |
| 184 | K | 86 | Confident | 86.3 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | -175.3 | -164.1 | 152 | -171.7 | -167.3 | 0 | 113.8 | D116 E119 A120 F180 V182 L186 M187 A188 Y218 | D116-K184 HydrophobicContact CB-CG 4.48Å; D116-K184 WeakPolarHBondContact O-CD 3.48Å; D116-K184 WeakPolarHBondContact O-CE 2.97Å; D116-K184 PolarHBondContact O-NZ 2.89Å; E119-K184 VanDerWaalsContact CB-NZ 3.32Å; E119-K184 IonicContact OE1-NZ 3.73Å; E119-K184 PolarHBondContact OE1-NZ 2.67Å; E119-K184 IonicContact OE2-NZ 2.77Å; E119-K184 PolarHBondContact OE2-NZ 3.32Å; A120-K184 HydrophobicContact CB-CB 4.08Å; A120-K184 HydrophobicContact CB-CD 4.16Å; F180-K184 HydrophobicContact CE1-CD 4.17Å; F180-K184 HydrophobicContact CE2-CB 4.48Å; F180-K184 HydrophobicContact CE2-CD 3.86Å; F180-K184 HydrophobicContact CZ-CD 3.52Å; F180-K184 WeakPolarHBondContact O-CB 3.46Å; F180-K184 PolarHBondContact O-N 3.23Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 2.88Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.27Å; K184-M187 PolarHBondContact O-N 2.98Å; K184-A188 PolarHBondContact O-N 3.42Å; K184-Y218 HydrophobicContact CD-CE2 4.11Å |
| 185 | P | 86.4 | Confident | 86 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 33% | 0.331 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59 | -38.9 | 170 | -25.4 | 34.3 | 0 | 0 | 0 | 113.5 | C181 V182 M187 A188 V189 | C181-P185 WeakPolarHBondContact O-CD 3.27Å; C181-P185 WeakPolarHBondContact O-CG 3.42Å; V182-P185 WeakPolarHBondContact O-CD 3.2Å; P185-M187 VanDerWaalsContact C-N 3.34Å; P185-M187 PolarHBondContact O-N 3.48Å; P185-A188 PolarHBondContact O-N 2.85Å; P185-V189 WeakPolarHBondContact O-CG2 3.33Å; P185-V189 PolarHBondContact O-N 3.41Å |
| 186 | L | 88.3 | Confident | 85.7 | Confident | 96 Ų | 96 | 42.7 Ų | 42.7 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 176.7 | -70.4 | 174.6 | 0 | 0 | 0 | 112 | V182 V183 K184 S190 | V182-L186 HydrophobicContact CG1-CD1 3.87Å; V182-L186 VanDerWaalsContact O-CG 3.3Å; V182-L186 WeakPolarHBondContact O-CG 3.47Å; V182-L186 PolarHBondContact O-N 3.46Å; V183-L186 WeakPolarHBondContact O-CB 3.45Å; V183-L186 PolarHBondContact O-N 3.11Å; K184-L186 VanDerWaalsContact C-N 3.32Å; K184-L186 PolarHBondContact O-N 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.95Å; L186-S190 PolarHBondContact O-OG 2.79Å |
| 187 | M | 85.4 | Confident | 85.6 | Confident | 34 Ų | 34 | 50 Ų | 50 | 17% | 0.167 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.9 | -70.3 | -59.6 | 118.9 | 0 | 0 | 110.8 | V183 K184 P185 V189 S190 T191 V214 I217 | V183-M187 HydrophobicContact CG1-CE 4.19Å; V183-M187 HydrophobicContact CG1-CG 3.87Å; V183-M187 VanDerWaalsContact O-CG 3.28Å; V183-M187 WeakPolarHBondContact O-CG 3.24Å; V183-M187 PolarHBondContact O-N 3.34Å; K184-M187 PolarHBondContact O-N 2.98Å; P185-M187 VanDerWaalsContact C-N 3.34Å; P185-M187 PolarHBondContact O-N 3.48Å; M187-V189 PolarHBondContact O-N 3.44Å; M187-S190 CarbonylContact O-C 3.59Å; M187-S190 WeakPolarHBondContact O-CB 3.05Å; M187-S190 PolarHBondContact O-N 2.97Å; M187-S190 VanDerWaalsContact O-N 3.17Å; M187-T191 PolarHBondContact O-N 2.94Å; M187-T191 PolarHBondContact O-OG1 3.3Å; M187-T191 VanDerWaalsContact O-OG1 3.12Å; M187-V214 HydrophobicContact CB-CG1 4.45Å; M187-I217 HydrophobicContact CE-CD1 4.39Å; M187-I217 HydrophobicContact CE-CG2 3.72Å; M187-I217 HydrophobicContact CG-CG2 4.48Å; M187-I217 HydrophobicContact SD-CB 4.09Å; M187-I217 HydrophobicContact SD-CD1 4.35Å; M187-I217 HydrophobicContact SD-CG2 3.72Å |
| 188 | A | 83.3 | Confident | 85.1 | Confident | 10 Ų | 10 | 53 Ų | 53 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T113 K184 P185 S190 T191 V192 | T113-A188 HydrophobicContact CG2-CB 3.72Å; K184-A188 PolarHBondContact O-N 3.42Å; P185-A188 PolarHBondContact O-N 2.85Å; A188-S190 VanDerWaalsContact C-N 3.3Å; A188-S190 PolarHBondContact O-N 3.22Å; A188-T191 WeakPolarHBondContact O-CB 3.34Å; A188-T191 PolarHBondContact O-N 3.31Å; A188-V192 WeakPolarHBondContact O-CG2 3.46Å; A188-V192 PolarHBondContact O-N 2.89Å |
| 189 | V | 85.7 | Confident | 84.9 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 174 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | P185 M187 T191 V192 V193 | P185-V189 WeakPolarHBondContact O-CG2 3.33Å; P185-V189 PolarHBondContact O-N 3.41Å; M187-V189 PolarHBondContact O-N 3.44Å; V189-T191 PolarHBondContact O-N 3.46Å; V189-V192 PolarHBondContact O-N 3.14Å; V189-V193 VanDerWaalsContact O-CG2 3.31Å; V189-V193 WeakPolarHBondContact O-CG2 3.3Å; V189-V193 PolarHBondContact O-N 3.4Å |
| 190 | S | 85.1 | Confident | 84 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | L186 M187 A188 V192 V193 L194 | L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.95Å; L186-S190 PolarHBondContact O-OG 2.79Å; M187-S190 CarbonylContact O-C 3.59Å; M187-S190 WeakPolarHBondContact O-CB 3.05Å; M187-S190 PolarHBondContact O-N 2.97Å; M187-S190 VanDerWaalsContact O-N 3.17Å; A188-S190 VanDerWaalsContact C-N 3.3Å; A188-S190 PolarHBondContact O-N 3.22Å; S190-V192 PolarHBondContact O-N 2.86Å; S190-V193 PolarHBondContact O-N 2.69Å; S190-L194 WeakPolarHBondContact O-CD1 3.5Å; S190-L194 PolarHBondContact O-N 3.23Å |
| 191 | T | 82.6 | Confident | 83 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 176.2 | -65 | 0 | 0 | 0 | 0 | 111.9 | M187 A188 V189 V193 L194 Q195 Y200 | M187-T191 PolarHBondContact O-N 2.94Å; M187-T191 PolarHBondContact O-OG1 3.3Å; M187-T191 VanDerWaalsContact O-OG1 3.12Å; A188-T191 WeakPolarHBondContact O-CB 3.34Å; A188-T191 PolarHBondContact O-N 3.31Å; V189-T191 PolarHBondContact O-N 3.46Å; T191-V193 VanDerWaalsContact C-N 3.31Å; T191-V193 PolarHBondContact O-N 3.02Å; T191-L194 PolarHBondContact O-N 2.85Å; T191-Q195 VanDerWaalsContact O-CB 3.3Å; T191-Q195 WeakPolarHBondContact O-CB 3.09Å; T191-Q195 PolarHBondContact O-N 3.04Å; T191-Y200 HydrophobicContact CG2-CD1 3.95Å; T191-Y200 HydrophobicContact CG2-CD2 4.03Å; T191-Y200 HydrophobicContact CG2-CE1 3.54Å; T191-Y200 HydrophobicContact CG2-CE2 3.61Å; T191-Y200 HydrophobicContact CG2-CG 4.19Å |
| 192 | V | 82.8 | Confident | 82 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | A188 V189 S190 Q195 A196 | A188-V192 WeakPolarHBondContact O-CG2 3.46Å; A188-V192 PolarHBondContact O-N 2.89Å; V189-V192 PolarHBondContact O-N 3.14Å; S190-V192 PolarHBondContact O-N 2.86Å; V192-Q195 PolarHBondContact O-N 2.89Å; V192-A196 PolarHBondContact O-N 2.99Å |
| 193 | V | 85.1 | Confident | 80.9 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V189 S190 T191 Q195 A196 F197 | V189-V193 VanDerWaalsContact O-CG2 3.31Å; V189-V193 WeakPolarHBondContact O-CG2 3.3Å; V189-V193 PolarHBondContact O-N 3.4Å; S190-V193 PolarHBondContact O-N 2.69Å; T191-V193 VanDerWaalsContact C-N 3.31Å; T191-V193 PolarHBondContact O-N 3.02Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 2.83Å; V193-A196 WeakPolarHBondContact O-CB 3.13Å; V193-A196 PolarHBondContact O-N 3.32Å; V193-F197 HydrophobicContact CG1-CD2 3.9Å; V193-F197 HydrophobicContact CG1-CE2 3.6Å; V193-F197 WeakPolarHBondContact O-CD2 3.45Å; V193-F197 PolarHBondContact O-N 3.43Å |
| 194 | L | 83.1 | Confident | 80 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -32 | 179.2 | -83 | 77.2 | 0 | 0 | 0 | 112 | S190 T191 F197 G198 K199 Y200 G210 | S190-L194 WeakPolarHBondContact O-CD1 3.5Å; S190-L194 PolarHBondContact O-N 3.23Å; T191-L194 PolarHBondContact O-N 2.85Å; L194-F197 PolarHBondContact O-N 2.94Å; L194-G198 PolarHBondContact O-N 2.91Å; L194-K199 PolarHBondContact O-N 3.42Å; L194-Y200 PolarHBondContact O-N 2.9Å; L194-G210 VanDerWaalsContact CD2-CA 3.49Å |
| 195 | Q | 79 | Confident | 79.2 | Confident | 72 Ų | 72 | 70 Ų | 70 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 173.5 | -168.5 | 173 | 18 | 0 | 0 | 111.5 | T191 V192 V193 F197 G198 Y200 | T191-Q195 VanDerWaalsContact O-CB 3.3Å; T191-Q195 WeakPolarHBondContact O-CB 3.09Å; T191-Q195 PolarHBondContact O-N 3.04Å; V192-Q195 PolarHBondContact O-N 2.89Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 2.83Å; Q195-F197 PolarHBondContact O-N 3.28Å; Q195-G198 PolarHBondContact O-N 3.14Å; Q195-Y200 HydrophobicContact CB-CD1 4.35Å |
| 196 | A | 81.6 | Confident | 78.8 | Confident | 88 Ų | 88 | 71.8 Ų | 71.8 | 73% | 0.727 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.2 | -32 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | V192 V193 G198 | V192-A196 PolarHBondContact O-N 2.99Å; V193-A196 WeakPolarHBondContact O-CB 3.13Å; V193-A196 PolarHBondContact O-N 3.32Å; A196-G198 VanDerWaalsContact C-N 3.31Å |
| 197 | F | 84.8 | Confident | 78.3 | Confident | 160 Ų | 160 | 71.7 Ų | 71.7 | 70% | 0.702 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.3 | 173.7 | -69.7 | -64.7 | 0 | 0 | 0 | 114.3 | V193 L194 Q195 K199 | V193-F197 HydrophobicContact CG1-CD2 3.9Å; V193-F197 HydrophobicContact CG1-CE2 3.6Å; V193-F197 WeakPolarHBondContact O-CD2 3.45Å; V193-F197 PolarHBondContact O-N 3.43Å; L194-F197 PolarHBondContact O-N 2.94Å; Q195-F197 PolarHBondContact O-N 3.28Å; F197-K199 HydrophobicContact CB-CG 4.46Å; F197-K199 PolarHBondContact O-N 2.87Å |
| 198 | G | 77.9 | Confident | 78 | Confident | 61 Ų | 61 | 75.5 Ų | 75.5 | 63% | 0.629 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 18.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L194 Q195 A196 | L194-G198 PolarHBondContact O-N 2.91Å; Q195-G198 PolarHBondContact O-N 3.14Å; A196-G198 VanDerWaalsContact C-N 3.31Å |
| 199 | K | 81.3 | Confident | 77.7 | Confident | 137 Ų | 137 | 75.4 Ų | 75.4 | 60% | 0.596 | 42% | 0.415 | S | S | * | . | trans | -100.2 | 2.9 | -179.3 | -70.9 | -69.9 | -173.3 | 176.6 | 0 | 113.5 | L194 F197 G210 | L194-K199 PolarHBondContact O-N 3.42Å; F197-K199 HydrophobicContact CB-CG 4.46Å; F197-K199 PolarHBondContact O-N 2.87Å; K199-G210 PolarHBondContact O-N 3.35Å | ||
| 200 | Y | 73.1 | Confident | 77.5 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | trans | -122.6 | 123.9 | 177.1 | -176.8 | -85.9 | 0 | 0 | 0 | 109.7 | T191 L194 Q195 D202 Y211 | T191-Y200 HydrophobicContact CG2-CD1 3.95Å; T191-Y200 HydrophobicContact CG2-CD2 4.03Å; T191-Y200 HydrophobicContact CG2-CE1 3.54Å; T191-Y200 HydrophobicContact CG2-CE2 3.61Å; T191-Y200 HydrophobicContact CG2-CG 4.19Å; L194-Y200 PolarHBondContact O-N 2.9Å; Q195-Y200 HydrophobicContact CB-CD1 4.35Å; Y200-D202 WeakPolarHBondContact CE1-OD1 3.48Å; Y200-D202 VanDerWaalsContact CZ-OD1 3.31Å; Y200-D202 PolarHBondContact OH-OD1 3.29Å; Y200-Y211 AromaticContact CE2-CD2 3.83Å; Y200-Y211 HydrophobicContact CE2-CD2 3.83Å; Y200-Y211 HydrophobicContact CE2-CG 4.43Å; Y200-Y211 AromaticContact CZ-CD2 3.68Å; Y200-Y211 WeakPolarHBondContact OH-CD2 3.28Å | ||
| 201 | R | 67.8 | Low | 77.2 | Confident | 187 Ų | 187 | 70.9 Ų | 70.9 | 71% | 0.706 | 38% | 0.383 | S | S | * | . | trans | -133.2 | 126.4 | 170.9 | -83.2 | -179.9 | 157.4 | 166.3 | -6.3 | 107.7 | D204 Y211 | R201-D204 HydrophobicContact CB-CB 4.06Å; R201-D204 WeakPolarHBondContact O-CB 3.48Å; R201-D204 PolarHBondContact O-N 3Å; R201-Y211 WeakPolarHBondContact O-CB 3.44Å | ||
| 202 | D | 66.8 | Low | 77.2 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 40% | 0.401 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 140.8 | 177.3 | -68 | -57.7 | 0 | 0 | 0 | 110.7 | Y200 D204 | Y200-D202 WeakPolarHBondContact CE1-OD1 3.48Å; Y200-D202 VanDerWaalsContact CZ-OD1 3.31Å; Y200-D202 PolarHBondContact OH-OD1 3.29Å; D202-D204 PolarHBondContact O-N 3.32Å |
| 203 | G | 64.5 | Low | 77.3 | Confident | 4 Ų | 4 | 74.7 Ų | 74.7 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -4.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F205 K271 | G203-F205 WeakPolarHBondContact O-CD2 3.46Å; G203-F205 PolarHBondContact O-N 2.74Å; G203-K271 WeakPolarHBondContact O-CE 3.5Å |
| 204 | D | 70.4 | Confident | 77.3 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | trans | -89.3 | 99.3 | -176.8 | -159.9 | 18.7 | 0 | 0 | 0 | 113.7 | R201 D202 D206 S209 Y211 K271 | R201-D204 HydrophobicContact CB-CB 4.06Å; R201-D204 WeakPolarHBondContact O-CB 3.48Å; R201-D204 PolarHBondContact O-N 3Å; D202-D204 PolarHBondContact O-N 3.32Å; D204-D206 PolarHBondContact O-N 3.26Å; D204-S209 WeakPolarHBondContact O-CB 3.11Å; D204-S209 PolarHBondContact O-OG 3.31Å; D204-Y211 WeakPolarHBondContact O-CD1 3.46Å; D204-K271 IonicContact OD1-NZ 2.79Å; D204-K271 PolarHBondContact OD1-NZ 3.45Å; D204-K271 VanDerWaalsContact OD1-NZ 3.12Å | ||
| 205 | F | 69.2 | Low | 77.1 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | trans | -81.7 | 19.3 | 179.3 | -65.6 | -79.9 | 0 | 0 | 0 | 114.6 | G203 Y211 L212 A267 K271 | G203-F205 WeakPolarHBondContact O-CD2 3.46Å; G203-F205 PolarHBondContact O-N 2.74Å; F205-Y211 HydrophobicContact CD1-CD1 4.46Å; F205-Y211 HydrophobicContact CD1-CE1 4.23Å; F205-Y211 HydrophobicContact CE1-CD1 4.47Å; F205-Y211 AromaticContact CE1-CE1 3.82Å; F205-Y211 HydrophobicContact CE1-CE1 3.82Å; F205-Y211 HydrophobicContact CE2-CE1 4.32Å; F205-Y211 AromaticContact CZ-CE1 3.87Å; F205-Y211 HydrophobicContact CZ-CE1 3.87Å; F205-L212 HydrophobicContact CB-CD1 4.49Å; F205-L212 WeakPolarHBondContact O-CD1 3.33Å; F205-A267 HydrophobicContact CE2-CB 4.05Å; F205-A267 HydrophobicContact CZ-CB 4.17Å; F205-K271 HydrophobicContact CD2-CG 4.26Å | ||
| 206 | D | 76.5 | Confident | 77.4 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | trans | -70.9 | 145.4 | 177.4 | -139.6 | -37 | 0 | 0 | 0 | 111.2 | D204 T208 S209 | D204-D206 PolarHBondContact O-N 3.26Å; D206-T208 PolarHBondContact O-N 3.3Å; D206-T208 VanDerWaalsContact O-N 3.14Å; D206-S209 WeakPolarHBondContact O-CB 3.01Å; D206-S209 PolarHBondContact O-N 2.96Å | ||
| 207 | V | 79.3 | Confident | 77.7 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 58% | 0.576 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.8 | -176.6 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | Y213 | V207-Y213 VanDerWaalsContact O-CE2 3.29Å; V207-Y213 WeakPolarHBondContact O-CE2 3.38Å; V207-Y213 PolarHBondContact O-OH 3.42Å |
| 208 | T | 77.3 | Confident | 77.7 | Confident | 114 Ų | 114 | 65.8 Ų | 65.8 | 70% | 0.699 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -10.3 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | D206 | D206-T208 PolarHBondContact O-N 3.3Å; D206-T208 VanDerWaalsContact O-N 3.14Å |
| 209 | S | 78.1 | Confident | 78 | Confident | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -88.6 | 139.5 | -179 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | D204 D206 Y211 Y213 | D204-S209 WeakPolarHBondContact O-CB 3.11Å; D204-S209 PolarHBondContact O-OG 3.31Å; D206-S209 WeakPolarHBondContact O-CB 3.01Å; D206-S209 PolarHBondContact O-N 2.96Å; S209-Y211 PolarHBondContact O-N 3.31Å; S209-Y211 PolarHBondContact OG-N 3.42Å; S209-Y213 WeakPolarHBondContact O-CD2 3.34Å |
| 210 | G | 81.4 | Confident | 78.2 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -27.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L194 K199 L212 Y213 V214 | L194-G210 VanDerWaalsContact CD2-CA 3.49Å; K199-G210 PolarHBondContact O-N 3.35Å; G210-L212 PolarHBondContact O-N 3.4Å; G210-Y213 PolarHBondContact O-N 2.98Å; G210-V214 WeakPolarHBondContact O-CG2 3.08Å; G210-V214 PolarHBondContact O-N 3.48Å; G210-V214 VanDerWaalsContact O-N 3.11Å |
| 211 | Y | 79.3 | Confident | 79 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.9 | -48.9 | -176.1 | 180 | -98.5 | 0 | 0 | 0 | 111.6 | Y200 R201 D204 F205 S209 Y213 V214 T215 | Y200-Y211 AromaticContact CE2-CD2 3.83Å; Y200-Y211 HydrophobicContact CE2-CD2 3.83Å; Y200-Y211 HydrophobicContact CE2-CG 4.43Å; Y200-Y211 AromaticContact CZ-CD2 3.68Å; Y200-Y211 WeakPolarHBondContact OH-CD2 3.28Å; R201-Y211 WeakPolarHBondContact O-CB 3.44Å; D204-Y211 WeakPolarHBondContact O-CD1 3.46Å; F205-Y211 HydrophobicContact CD1-CD1 4.46Å; F205-Y211 HydrophobicContact CD1-CE1 4.23Å; F205-Y211 HydrophobicContact CE1-CD1 4.47Å; F205-Y211 AromaticContact CE1-CE1 3.82Å; F205-Y211 HydrophobicContact CE1-CE1 3.82Å; F205-Y211 HydrophobicContact CE2-CE1 4.32Å; F205-Y211 AromaticContact CZ-CE1 3.87Å; F205-Y211 HydrophobicContact CZ-CE1 3.87Å; S209-Y211 PolarHBondContact O-N 3.31Å; S209-Y211 PolarHBondContact OG-N 3.42Å; Y211-Y213 PolarHBondContact O-N 2.84Å; Y211-V214 PolarHBondContact O-N 3.05Å; Y211-T215 WeakPolarHBondContact O-CB 3.37Å; Y211-T215 PolarHBondContact O-N 3.2Å; Y211-T215 PolarHBondContact O-OG1 3.44Å |
| 212 | L | 81.9 | Confident | 79.8 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.9 | -45.1 | -179.5 | -179.9 | 138.5 | 0 | 0 | 0 | 112.8 | F205 G210 T215 I216 | F205-L212 HydrophobicContact CB-CD1 4.49Å; F205-L212 WeakPolarHBondContact O-CD1 3.33Å; G210-L212 PolarHBondContact O-N 3.4Å; L212-T215 PolarHBondContact O-N 3.34Å; L212-I216 HydrophobicContact CD2-CD1 3.58Å; L212-I216 HydrophobicContact CG-CD1 4.04Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.41Å; L212-I216 PolarHBondContact O-N 2.9Å |
| 213 | Y | 85.8 | Confident | 80.6 | Confident | 126 Ų | 126 | 53.9 Ų | 53.9 | 49% | 0.494 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.4 | -43.9 | -179.9 | -65.5 | -78.3 | 0 | 0 | 0 | 112.3 | V207 S209 G210 Y211 T215 I216 I217 | V207-Y213 VanDerWaalsContact O-CE2 3.29Å; V207-Y213 WeakPolarHBondContact O-CE2 3.38Å; V207-Y213 PolarHBondContact O-OH 3.42Å; S209-Y213 WeakPolarHBondContact O-CD2 3.34Å; G210-Y213 PolarHBondContact O-N 2.98Å; Y211-Y213 PolarHBondContact O-N 2.84Å; Y213-T215 VanDerWaalsContact C-N 3.32Å; Y213-T215 PolarHBondContact O-N 3.42Å; Y213-I216 PolarHBondContact O-N 3.13Å; Y213-I217 VanDerWaalsContact O-CG1 3.31Å; Y213-I217 WeakPolarHBondContact O-CG1 3.36Å; Y213-I217 PolarHBondContact O-N 3.3Å |
| 214 | V | 83.6 | Confident | 81.7 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 109.9 | M187 G210 Y211 I216 I217 Y218 | M187-V214 HydrophobicContact CB-CG1 4.45Å; G210-V214 WeakPolarHBondContact O-CG2 3.08Å; G210-V214 PolarHBondContact O-N 3.48Å; G210-V214 VanDerWaalsContact O-N 3.11Å; Y211-V214 PolarHBondContact O-N 3.05Å; V214-I216 PolarHBondContact O-N 3.06Å; V214-I217 PolarHBondContact O-N 3.4Å; V214-Y218 WeakPolarHBondContact O-CB 3.3Å; V214-Y218 PolarHBondContact O-N 3.29Å |
| 215 | T | 79.8 | Confident | 82.4 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 112.1 | Y211 L212 Y213 N219 | Y211-T215 WeakPolarHBondContact O-CB 3.37Å; Y211-T215 PolarHBondContact O-N 3.2Å; Y211-T215 PolarHBondContact O-OG1 3.44Å; L212-T215 PolarHBondContact O-N 3.34Å; Y213-T215 VanDerWaalsContact C-N 3.32Å; Y213-T215 PolarHBondContact O-N 3.42Å; T215-N219 WeakPolarHBondContact CG2-ND2 3.39Å; T215-N219 WeakPolarHBondContact O-CB 3.37Å; T215-N219 PolarHBondContact O-N 2.55Å; T215-N219 PolarHBondContact O-ND2 3.33Å |
| 216 | I | 84.8 | Confident | 83 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -49.8 | 178.2 | -71.4 | 167.9 | 0 | 0 | 0 | 111.1 | L212 Y213 V214 Y218 N219 I220 | L212-I216 HydrophobicContact CD2-CD1 3.58Å; L212-I216 HydrophobicContact CG-CD1 4.04Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.41Å; L212-I216 PolarHBondContact O-N 2.9Å; Y213-I216 PolarHBondContact O-N 3.13Å; V214-I216 PolarHBondContact O-N 3.06Å; I216-Y218 VanDerWaalsContact C-N 3.29Å; I216-Y218 PolarHBondContact O-N 3.48Å; I216-N219 PolarHBondContact O-N 3.44Å; I216-I220 HydrophobicContact CG2-CD1 3.81Å; I216-I220 WeakPolarHBondContact O-CG1 3.49Å; I216-I220 PolarHBondContact O-N 3.22Å |
| 217 | I | 88.1 | Confident | 83.3 | Confident | 77 Ų | 77 | 51 Ų | 51 | 40% | 0.395 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | -179.7 | -66.6 | 167 | 0 | 0 | 0 | 110.1 | V183 M187 Y213 V214 I220 S221 | V183-I217 HydrophobicContact CG1-CG2 4.32Å; M187-I217 HydrophobicContact CE-CD1 4.39Å; M187-I217 HydrophobicContact CE-CG2 3.72Å; M187-I217 HydrophobicContact CG-CG2 4.48Å; M187-I217 HydrophobicContact SD-CB 4.09Å; M187-I217 HydrophobicContact SD-CD1 4.35Å; M187-I217 HydrophobicContact SD-CG2 3.72Å; Y213-I217 VanDerWaalsContact O-CG1 3.31Å; Y213-I217 WeakPolarHBondContact O-CG1 3.36Å; Y213-I217 PolarHBondContact O-N 3.3Å; V214-I217 PolarHBondContact O-N 3.4Å; I217-I220 PolarHBondContact O-N 3.23Å; I217-S221 WeakPolarHBondContact O-CB 3.44Å; I217-S221 PolarHBondContact O-N 3.46Å |
| 218 | Y | 85 | Confident | 83.5 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.2 | -51.6 | 174.6 | 168.2 | -104.3 | 0 | 0 | 0 | 111.8 | E119 F180 K184 V214 I216 I220 S221 V222 F260 | E119-Y218 PolarHBondContact OE1-OH 3.34Å; F180-Y218 HydrophobicContact CE2-CD2 4.27Å; F180-Y218 HydrophobicContact CE2-CE2 4.05Å; F180-Y218 HydrophobicContact CZ-CE2 4.12Å; K184-Y218 HydrophobicContact CD-CE2 4.11Å; V214-Y218 WeakPolarHBondContact O-CB 3.3Å; V214-Y218 PolarHBondContact O-N 3.29Å; I216-Y218 VanDerWaalsContact C-N 3.29Å; I216-Y218 PolarHBondContact O-N 3.48Å; Y218-I220 VanDerWaalsContact C-N 3.35Å; Y218-I220 PolarHBondContact O-N 3.02Å; Y218-S221 PolarHBondContact O-N 3.24Å; Y218-V222 HydrophobicContact CE1-CG1 4.36Å; Y218-V222 HydrophobicContact CE2-CB 4.36Å; Y218-V222 WeakPolarHBondContact O-CG1 3.47Å; Y218-V222 PolarHBondContact O-N 3.04Å; Y218-F260 HydrophobicContact CD1-CE2 4.42Å; Y218-F260 AromaticContact CE1-CD2 3.71Å; Y218-F260 HydrophobicContact CE1-CD2 3.71Å; Y218-F260 AromaticContact CE1-CE2 3.81Å; Y218-F260 HydrophobicContact CE1-CE2 3.81Å |
| 219 | N | 84.5 | Confident | 83.7 | Confident | 44 Ų | 44 | 41.4 Ų | 41.4 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | -179.1 | -89.4 | -76.2 | 0 | 0 | 0 | 112.7 | T215 I216 V222 S223 F260 | T215-N219 WeakPolarHBondContact CG2-ND2 3.39Å; T215-N219 WeakPolarHBondContact O-CB 3.37Å; T215-N219 PolarHBondContact O-N 2.55Å; T215-N219 PolarHBondContact O-ND2 3.33Å; I216-N219 PolarHBondContact O-N 3.44Å; N219-V222 WeakPolarHBondContact O-CG1 3.41Å; N219-S223 WeakPolarHBondContact O-CB 3.48Å; N219-S223 PolarHBondContact O-N 2.82Å; N219-S223 PolarHBondContact O-OG 3.16Å; N219-F260 WeakPolarHBondContact OD1-CE2 3.14Å; N219-F260 WeakPolarHBondContact OD1-CZ 3.43Å |
| 220 | I | 86.2 | Confident | 83.8 | Confident | 112 Ų | 112 | 43.3 Ų | 43.3 | 57% | 0.574 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.4 | -47 | 176.3 | -67.6 | 169.8 | 0 | 0 | 0 | 110.1 | I216 I217 Y218 S223 L224 | I216-I220 HydrophobicContact CG2-CD1 3.81Å; I216-I220 WeakPolarHBondContact O-CG1 3.49Å; I216-I220 PolarHBondContact O-N 3.22Å; I217-I220 PolarHBondContact O-N 3.23Å; Y218-I220 VanDerWaalsContact C-N 3.35Å; Y218-I220 PolarHBondContact O-N 3.02Å; I220-S223 PolarHBondContact O-N 3.12Å; I220-L224 WeakPolarHBondContact O-CB 3.47Å; I220-L224 PolarHBondContact O-N 3.03Å |
| 221 | S | 89.1 | Confident | 83.7 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | -176.7 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | Q179 I217 Y218 L224 A225 | Q179-S221 PolarHBondContact NE2-OG 3.24Å; Q179-S221 PolarHBondContact OE1-OG 3Å; I217-S221 WeakPolarHBondContact O-CB 3.44Å; I217-S221 PolarHBondContact O-N 3.46Å; Y218-S221 PolarHBondContact O-N 3.24Å; S221-L224 PolarHBondContact O-N 2.96Å; S221-A225 PolarHBondContact O-N 2.92Å |
| 222 | V | 84.5 | Confident | 83.8 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 178.3 | 75.8 | 0 | 0 | 0 | 0 | 111 | F180 Y218 N219 L224 A225 L226 | F180-V222 HydrophobicContact CD2-CB 4.3Å; F180-V222 HydrophobicContact CE1-CG2 4.15Å; F180-V222 HydrophobicContact CE2-CB 3.59Å; F180-V222 HydrophobicContact CE2-CG2 3.88Å; F180-V222 HydrophobicContact CZ-CB 3.81Å; F180-V222 HydrophobicContact CZ-CG2 3.54Å; Y218-V222 HydrophobicContact CE1-CG1 4.36Å; Y218-V222 HydrophobicContact CE2-CB 4.36Å; Y218-V222 WeakPolarHBondContact O-CG1 3.47Å; Y218-V222 PolarHBondContact O-N 3.04Å; N219-V222 WeakPolarHBondContact O-CG1 3.41Å; V222-L224 PolarHBondContact O-N 3.36Å; V222-A225 PolarHBondContact O-N 3.37Å; V222-L226 HydrophobicContact CG2-CD1 3.84Å; V222-L226 HydrophobicContact CG2-CG 4.38Å; V222-L226 WeakPolarHBondContact O-CB 2.93Å; V222-L226 WeakPolarHBondContact O-CD1 2.97Å; V222-L226 VanDerWaalsContact O-CG 3.27Å; V222-L226 WeakPolarHBondContact O-CG 3.33Å; V222-L226 PolarHBondContact O-N 3.12Å |
| 223 | S | 83.9 | Confident | 83.6 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.7 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | N219 I220 Y227 | N219-S223 WeakPolarHBondContact O-CB 3.48Å; N219-S223 PolarHBondContact O-N 2.82Å; N219-S223 PolarHBondContact O-OG 3.16Å; I220-S223 PolarHBondContact O-N 3.12Å; S223-Y227 WeakPolarHBondContact O-CB 3.43Å; S223-Y227 PolarHBondContact O-N 2.95Å |
| 224 | L | 86.3 | Confident | 83.3 | Confident | 67 Ų | 67 | 37 Ų | 37 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 176.2 | -178.6 | 65.5 | 0 | 0 | 0 | 111.7 | F172 A176 I220 S221 V222 Y227 A228 | F172-L224 HydrophobicContact CZ-CD1 4.21Å; A176-L224 HydrophobicContact CB-CG 4.25Å; I220-L224 WeakPolarHBondContact O-CB 3.47Å; I220-L224 PolarHBondContact O-N 3.03Å; S221-L224 PolarHBondContact O-N 2.96Å; V222-L224 PolarHBondContact O-N 3.36Å; L224-Y227 PolarHBondContact O-N 2.96Å; L224-A228 WeakPolarHBondContact O-CB 3.33Å; L224-A228 PolarHBondContact O-N 2.77Å |
| 225 | A | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F180 S221 V222 A228 L229 | F180-A225 HydrophobicContact CB-CB 3.7Å; F180-A225 HydrophobicContact CD1-CB 4.31Å; F180-A225 HydrophobicContact CG-CB 4.07Å; S221-A225 PolarHBondContact O-N 2.92Å; V222-A225 PolarHBondContact O-N 3.37Å; A225-A228 PolarHBondContact O-N 3.1Å; A225-L229 WeakPolarHBondContact O-CB 3.28Å; A225-L229 PolarHBondContact O-N 3.28Å |
| 226 | L | 81.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.7 | -34.8 | 177.4 | -71 | 166.5 | 0 | 0 | 0 | 112.4 | I123 V222 L229 F230 F257 | I123-L226 HydrophobicContact CD1-CD2 3.98Å; I123-L226 HydrophobicContact CD1-CG 4.31Å; V222-L226 HydrophobicContact CG2-CD1 3.84Å; V222-L226 HydrophobicContact CG2-CG 4.38Å; V222-L226 WeakPolarHBondContact O-CB 2.93Å; V222-L226 WeakPolarHBondContact O-CD1 2.97Å; V222-L226 VanDerWaalsContact O-CG 3.27Å; V222-L226 WeakPolarHBondContact O-CG 3.33Å; V222-L226 PolarHBondContact O-N 3.12Å; L226-L229 PolarHBondContact O-N 3.44Å; L226-F230 VanDerWaalsContact O-CB 3.27Å; L226-F230 WeakPolarHBondContact O-CB 2.99Å; L226-F230 PolarHBondContact O-N 3.49Å; L226-F257 HydrophobicContact CD1-CD2 4.23Å; L226-F257 HydrophobicContact CD1-CE2 3.36Å; L226-F257 HydrophobicContact CD1-CZ 3.69Å; L226-F257 HydrophobicContact CD2-CE2 4.26Å; L226-F257 HydrophobicContact CG-CE2 4.31Å |
| 227 | Y | 81.9 | Confident | 82.4 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 29% | 0.29 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66 | -45.1 | 173.3 | 176.2 | -109.2 | 0 | 0 | 0 | 111.1 | G156 S223 L224 L229 F230 L231 | G156-Y227 PolarHBondContact O-OH 2.9Å; S223-Y227 WeakPolarHBondContact O-CB 3.43Å; S223-Y227 PolarHBondContact O-N 2.95Å; L224-Y227 PolarHBondContact O-N 2.96Å; Y227-L229 PolarHBondContact O-N 3.46Å; Y227-F230 WeakPolarHBondContact O-CB 3.42Å; Y227-F230 PolarHBondContact O-N 3.23Å; Y227-L231 HydrophobicContact CD1-CD1 3.81Å; Y227-L231 HydrophobicContact CD1-CG 4.33Å; Y227-L231 HydrophobicContact CD2-CG 4.4Å; Y227-L231 HydrophobicContact CE1-CD1 3.28Å; Y227-L231 HydrophobicContact CE1-CG 3.97Å; Y227-L231 HydrophobicContact CE2-CD1 4.25Å; Y227-L231 HydrophobicContact CE2-CD2 4.12Å; Y227-L231 HydrophobicContact CE2-CG 4.04Å; Y227-L231 HydrophobicContact CG-CD1 4.48Å; Y227-L231 WeakPolarHBondContact O-CB 3.2Å; Y227-L231 WeakPolarHBondContact O-CG 3.3Å; Y227-L231 PolarHBondContact O-N 3.28Å |
| 228 | A | 83.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.2 | -46 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C173 A176 L224 A225 F230 L231 F232 | C173-A228 HydrophobicContact CB-CB 4.3Å; C173-A228 PolarHBondContact SG-O 3.49Å; C173-A228 VanDerWaalsContact SG-O 3.37Å; A176-A228 HydrophobicContact CB-CB 3.58Å; L224-A228 WeakPolarHBondContact O-CB 3.33Å; L224-A228 PolarHBondContact O-N 2.77Å; A225-A228 PolarHBondContact O-N 3.1Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.2Å; A228-L231 PolarHBondContact O-N 3.04Å; A228-F232 WeakPolarHBondContact O-CB 3.15Å; A228-F232 PolarHBondContact O-N 3.31Å |
| 229 | L | 82.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.5 | -174.1 | 75.6 | 0 | 0 | 0 | 111.7 | I123 F126 L127 A225 L226 Y227 F232 Y233 F249 | I123-L229 HydrophobicContact CG2-CD2 4.39Å; F126-L229 HydrophobicContact CD1-CD1 3.63Å; F126-L229 HydrophobicContact CD1-CD2 3.68Å; F126-L229 HydrophobicContact CD1-CG 4.14Å; F126-L229 HydrophobicContact CE1-CD1 3.94Å; F126-L229 HydrophobicContact CE1-CD2 3.89Å; F126-L229 HydrophobicContact CE1-CG 4.2Å; L127-L229 HydrophobicContact CB-CD1 3.72Å; L127-L229 HydrophobicContact CD1-CD1 3.79Å; L127-L229 HydrophobicContact CG-CD1 4.32Å; A225-L229 WeakPolarHBondContact O-CB 3.28Å; A225-L229 PolarHBondContact O-N 3.28Å; L226-L229 PolarHBondContact O-N 3.44Å; Y227-L229 PolarHBondContact O-N 3.46Å; L229-F232 PolarHBondContact O-N 3.01Å; L229-Y233 WeakPolarHBondContact O-CB 3.11Å; L229-Y233 PolarHBondContact O-N 3Å; L229-F249 HydrophobicContact CD2-CD2 4.36Å; L229-F249 HydrophobicContact CD2-CE2 3.8Å; L229-F249 HydrophobicContact CD2-CZ 4.41Å; L229-F249 HydrophobicContact CG-CD2 4.5Å; L229-F249 HydrophobicContact CG-CE2 3.78Å |
| 230 | F | 79.6 | Confident | 80.8 | Confident | 49 Ų | 49 | 37.4 Ų | 37.4 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -44 | 176.9 | 175.2 | -102.3 | 0 | 0 | 0 | 112.3 | Y155 L226 Y227 A228 Y233 F234 F249 | Y155-F230 HydrophobicContact CD1-CE1 4.17Å; Y155-F230 AromaticContact CD1-CZ 3.77Å; Y155-F230 HydrophobicContact CD1-CZ 3.77Å; Y155-F230 HydrophobicContact CE1-CZ 4.41Å; L226-F230 VanDerWaalsContact O-CB 3.27Å; L226-F230 WeakPolarHBondContact O-CB 2.99Å; L226-F230 PolarHBondContact O-N 3.49Å; Y227-F230 WeakPolarHBondContact O-CB 3.42Å; Y227-F230 PolarHBondContact O-N 3.23Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.2Å; F230-Y233 PolarHBondContact O-N 3.16Å; F230-F234 WeakPolarHBondContact O-CB 3.12Å; F230-F234 PolarHBondContact O-N 3.38Å; F230-F249 HydrophobicContact CB-CZ 4.14Å; F230-F249 HydrophobicContact CD2-CE1 4.42Å; F230-F249 HydrophobicContact CD2-CZ 4.15Å |
| 231 | L | 78.9 | Confident | 80.1 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 175.3 | -76.2 | 179.1 | 0 | 0 | 0 | 111.5 | T157 L160 F169 Y227 A228 Y233 F234 A235 | T157-L231 HydrophobicContact CG2-CD2 3.47Å; T157-L231 VanDerWaalsContact CG2-CD2 3.47Å; L160-L231 HydrophobicContact CD1-CD1 3.81Å; L160-L231 HydrophobicContact CD1-CD2 3.84Å; L160-L231 HydrophobicContact CD1-CG 4.49Å; F169-L231 HydrophobicContact CE2-CB 4.06Å; F169-L231 HydrophobicContact CE2-CD1 4.24Å; F169-L231 HydrophobicContact CZ-CB 3.84Å; Y227-L231 HydrophobicContact CD1-CD1 3.81Å; Y227-L231 HydrophobicContact CD1-CG 4.33Å; Y227-L231 HydrophobicContact CD2-CG 4.4Å; Y227-L231 HydrophobicContact CE1-CD1 3.28Å; Y227-L231 HydrophobicContact CE1-CG 3.97Å; Y227-L231 HydrophobicContact CE2-CD1 4.25Å; Y227-L231 HydrophobicContact CE2-CD2 4.12Å; Y227-L231 HydrophobicContact CE2-CG 4.04Å; Y227-L231 HydrophobicContact CG-CD1 4.48Å; Y227-L231 WeakPolarHBondContact O-CB 3.2Å; Y227-L231 WeakPolarHBondContact O-CG 3.3Å; Y227-L231 PolarHBondContact O-N 3.28Å; A228-L231 PolarHBondContact O-N 3.04Å; L231-Y233 VanDerWaalsContact C-N 3.35Å; L231-F234 PolarHBondContact O-N 3.36Å; L231-A235 WeakPolarHBondContact O-CB 3.25Å; L231-A235 PolarHBondContact O-N 2.91Å |
| 232 | F | 81.9 | Confident | 79.2 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.8 | 175.8 | -88 | 0 | 0 | 0 | 111.3 | L127 C130 Y131 L134 I140 L170 C173 A228 L229 F234 A235 T236 | L127-F232 HydrophobicContact CD1-CB 4.13Å; L127-F232 HydrophobicContact CD1-CD1 3.78Å; L127-F232 HydrophobicContact CD1-CD2 4.24Å; L127-F232 HydrophobicContact CD1-CE1 4.29Å; L127-F232 HydrophobicContact CD1-CG 3.76Å; C130-F232 HydrophobicContact CB-CD1 4.36Å; C130-F232 HydrophobicContact CB-CE1 3.49Å; C130-F232 VanDerWaalsContact CB-CE1 3.49Å; C130-F232 HydrophobicContact CB-CZ 4.22Å; Y131-F232 HydrophobicContact CD1-CE2 4.28Å; Y131-F232 HydrophobicContact CD1-CZ 4.48Å; Y131-F232 HydrophobicContact CD2-CE2 4.15Å; Y131-F232 HydrophobicContact CD2-CZ 4.12Å; Y131-F232 AromaticContact CE1-CE2 3.77Å; Y131-F232 HydrophobicContact CE1-CE2 3.77Å; Y131-F232 HydrophobicContact CE1-CZ 4.4Å; Y131-F232 HydrophobicContact CE2-CD2 4.08Å; Y131-F232 AromaticContact CE2-CE2 3.65Å; Y131-F232 HydrophobicContact CE2-CE2 3.65Å; Y131-F232 HydrophobicContact CE2-CZ 4.07Å; Y131-F232 HydrophobicContact CG-CE2 4.43Å; Y131-F232 HydrophobicContact CG-CZ 4.32Å; Y131-F232 AromaticContact CZ-CD2 3.9Å; Y131-F232 AromaticContact CZ-CE2 3.41Å; Y131-F232 VanDerWaalsContact CZ-CE2 3.41Å; L134-F232 HydrophobicContact CD1-CE1 4.36Å; L134-F232 HydrophobicContact CD1-CZ 3.81Å; I140-F232 HydrophobicContact CD1-CE2 4.46Å; I140-F232 HydrophobicContact CD1-CZ 4.38Å; L170-F232 HydrophobicContact CD2-CD2 3.74Å; L170-F232 HydrophobicContact CD2-CE2 3.68Å; C173-F232 HydrophobicContact CB-CB 4.22Å; A228-F232 WeakPolarHBondContact O-CB 3.15Å; A228-F232 PolarHBondContact O-N 3.31Å; L229-F232 PolarHBondContact O-N 3.01Å; F232-F234 PolarHBondContact O-N 3.32Å; F232-A235 WeakPolarHBondContact O-CB 3.41Å; F232-A235 PolarHBondContact O-N 2.87Å; F232-T236 HydrophobicContact CD2-CG2 4.43Å; F232-T236 HydrophobicContact CE1-CG2 4.28Å; F232-T236 HydrophobicContact CE2-CG2 4.06Å; F232-T236 HydrophobicContact CZ-CG2 3.99Å; F232-T236 WeakPolarHBondContact O-CB 3.25Å; F232-T236 WeakPolarHBondContact O-CG2 3.46Å; F232-T236 PolarHBondContact O-N 3.24Å; F232-T236 VanDerWaalsContact O-N 3.1Å; F232-T236 PolarHBondContact O-OG1 2.73Å |
| 233 | Y | 78.6 | Confident | 78.3 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 177.7 | 173.6 | -104.8 | 0 | 0 | 0 | 111.7 | L229 F230 L231 A235 T236 R237 P245 V246 F249 | L229-Y233 WeakPolarHBondContact O-CB 3.11Å; L229-Y233 PolarHBondContact O-N 3Å; F230-Y233 PolarHBondContact O-N 3.16Å; L231-Y233 VanDerWaalsContact C-N 3.35Å; Y233-A235 VanDerWaalsContact C-N 3.29Å; Y233-A235 PolarHBondContact O-N 2.8Å; Y233-T236 CarbonylContact O-C 3.6Å; Y233-T236 PolarHBondContact O-N 2.87Å; Y233-R237 HydrophobicContact CE1-CB 4.48Å; Y233-R237 HydrophobicContact CE2-CB 4.37Å; Y233-R237 WeakPolarHBondContact O-CA 3.29Å; Y233-R237 WeakPolarHBondContact O-CB 3.27Å; Y233-R237 PolarHBondContact O-N 2.7Å; Y233-P245 HydrophobicContact CE2-CB 3.74Å; Y233-P245 HydrophobicContact CE2-CG 3.74Å; Y233-V246 WeakPolarHBondContact OH-CG2 3.47Å; Y233-F249 HydrophobicContact CD1-CD2 4.42Å; Y233-F249 HydrophobicContact CD2-CD2 4.18Å; Y233-F249 AromaticContact CG-CD2 3.88Å; Y233-F249 HydrophobicContact CG-CD2 3.88Å; Y233-F249 HydrophobicContact CG-CE2 4.08Å; Y233-F249 HydrophobicContact CG-CG 4.39Å |
| 234 | F | 77.8 | Confident | 77.2 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 178.6 | -174 | -100.1 | 0 | 0 | 0 | 111.8 | E150 Y155 F230 L231 F232 T236 | E150-F234 HydrophobicContact CB-CE1 4.31Å; Y155-F234 HydrophobicContact CE2-CE2 4.49Å; F230-F234 WeakPolarHBondContact O-CB 3.12Å; F230-F234 PolarHBondContact O-N 3.38Å; L231-F234 PolarHBondContact O-N 3.36Å; F232-F234 PolarHBondContact O-N 3.32Å; F234-T236 VanDerWaalsContact C-N 3.28Å; F234-T236 PolarHBondContact O-N 3.41Å |
| 235 | A | 75.9 | Confident | 75.9 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y165 F169 L231 F232 Y233 | Y165-A235 HydrophobicContact CD1-CB 3.89Å; Y165-A235 HydrophobicContact CE1-CB 3.15Å; Y165-A235 WeakPolarHBondContact OH-CA 3.14Å; F169-A235 HydrophobicContact CE1-CB 3.9Å; F169-A235 HydrophobicContact CZ-CB 4.31Å; L231-A235 WeakPolarHBondContact O-CB 3.25Å; L231-A235 PolarHBondContact O-N 2.91Å; F232-A235 WeakPolarHBondContact O-CB 3.41Å; F232-A235 PolarHBondContact O-N 2.87Å; Y233-A235 VanDerWaalsContact C-N 3.29Å; Y233-A235 PolarHBondContact O-N 2.8Å |
| 236 | T | 75.5 | Confident | 74.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -113.1 | 3.6 | -168.6 | 59.7 | 0 | 0 | 0 | 0 | 113.1 | L134 I140 I144 F232 Y233 F234 E238 L239 L240 | L134-T236 HydrophobicContact CD1-CG2 3.82Å; I140-T236 HydrophobicContact CG2-CG2 4.5Å; I144-T236 HydrophobicContact CD1-CG2 3.55Å; F232-T236 HydrophobicContact CD2-CG2 4.43Å; F232-T236 HydrophobicContact CE1-CG2 4.28Å; F232-T236 HydrophobicContact CE2-CG2 4.06Å; F232-T236 HydrophobicContact CZ-CG2 3.99Å; F232-T236 WeakPolarHBondContact O-CB 3.25Å; F232-T236 WeakPolarHBondContact O-CG2 3.46Å; F232-T236 PolarHBondContact O-N 3.24Å; F232-T236 VanDerWaalsContact O-N 3.1Å; F232-T236 PolarHBondContact O-OG1 2.73Å; Y233-T236 CarbonylContact O-C 3.6Å; Y233-T236 PolarHBondContact O-N 2.87Å; F234-T236 VanDerWaalsContact C-N 3.28Å; F234-T236 PolarHBondContact O-N 3.41Å; T236-E238 VanDerWaalsContact C-N 3.26Å; T236-E238 PolarHBondContact O-N 3.33Å; T236-E238 VanDerWaalsContact O-N 3.16Å; T236-L239 WeakPolarHBondContact O-CB 3.23Å; T236-L239 PolarHBondContact O-N 3.44Å; T236-L240 PolarHBondContact O-N 3.38Å; T236-L240 WeakPolarHBondContact OG1-CD1 3.25Å |
| 237 | R | 77.9 | Confident | 73.7 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.5 | -37.1 | -172.9 | 71.7 | 177.1 | -140.4 | -178 | 2.6 | 113.5 | Y233 L240 S241 | Y233-R237 HydrophobicContact CE1-CB 4.48Å; Y233-R237 HydrophobicContact CE2-CB 4.37Å; Y233-R237 WeakPolarHBondContact O-CA 3.29Å; Y233-R237 WeakPolarHBondContact O-CB 3.27Å; Y233-R237 PolarHBondContact O-N 2.7Å; R237-L240 CarbonylContact O-C 3.56Å; R237-L240 PolarHBondContact O-N 2.92Å; R237-S241 PolarHBondContact O-N 3.47Å |
| 238 | E | 76.4 | Confident | 73.2 | Confident | 124 Ų | 124 | 47.5 Ų | 47.5 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -70.1 | -38.1 | -178.4 | -62.8 | -59.6 | 143.4 | 0 | 0 | 110.3 | T236 S241 | T236-E238 VanDerWaalsContact C-N 3.26Å; T236-E238 PolarHBondContact O-N 3.33Å; T236-E238 VanDerWaalsContact O-N 3.16Å; E238-S241 VanDerWaalsContact O-CB 3.29Å; E238-S241 WeakPolarHBondContact O-CB 3.29Å |
| 239 | L | 75.1 | Confident | 72.3 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -73.8 | -31.9 | 177 | -55.4 | 179.4 | 0 | 0 | 0 | 112 | L134 E143 I144 T236 | L134-L239 HydrophobicContact CD2-CB 3.28Å; L134-L239 HydrophobicContact CD2-CD1 4.09Å; L134-L239 HydrophobicContact CD2-CG 4.33Å; E143-L239 HydrophobicContact CB-CD1 4.08Å; E143-L239 HydrophobicContact CG-CD1 3.55Å; E143-L239 HydrophobicContact CG-CD2 3.37Å; E143-L239 HydrophobicContact CG-CG 4.08Å; I144-L239 HydrophobicContact CD1-CD1 4Å; I144-L239 HydrophobicContact CG1-CD1 3.79Å; T236-L239 WeakPolarHBondContact O-CB 3.23Å; T236-L239 PolarHBondContact O-N 3.44Å |
| 240 | L | 73.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -85.3 | -12.9 | 177 | -79.3 | 156.7 | 0 | 0 | 0 | 113.5 | C130 Y133 L134 T236 R237 P242 Y243 P245 | C130-L240 HydrophobicContact CB-CD1 4.41Å; Y133-L240 HydrophobicContact CD2-CD2 4.14Å; L134-L240 HydrophobicContact CD1-CD1 4.32Å; L134-L240 HydrophobicContact CD1-CG 4.34Å; L134-L240 HydrophobicContact CD2-CG 4.07Å; L134-L240 HydrophobicContact CG-CD2 4.41Å; L134-L240 HydrophobicContact CG-CG 4.24Å; T236-L240 PolarHBondContact O-N 3.38Å; T236-L240 WeakPolarHBondContact OG1-CD1 3.25Å; R237-L240 CarbonylContact O-C 3.56Å; R237-L240 PolarHBondContact O-N 2.92Å; L240-P242 VanDerWaalsContact C-N 3.33Å; L240-Y243 WeakPolarHBondContact O-CA 3.35Å; L240-Y243 WeakPolarHBondContact O-CB 3.38Å; L240-Y243 PolarHBondContact O-N 3.46Å; L240-P245 HydrophobicContact CB-CB 3.82Å; L240-P245 HydrophobicContact CB-CG 3.71Å; L240-P245 VanDerWaalsContact O-CD 3.24Å; L240-P245 WeakPolarHBondContact O-CD 3.48Å; L240-P245 WeakPolarHBondContact O-CG 3.3Å |
| 241 | S | 71.2 | Confident | 70.7 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 53% | 0.531 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -42.1 | -47.4 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 114.7 | R237 E238 Y243 S244 | R237-S241 PolarHBondContact O-N 3.47Å; E238-S241 VanDerWaalsContact O-CB 3.29Å; E238-S241 WeakPolarHBondContact O-CB 3.29Å; S241-Y243 PolarHBondContact O-N 3.11Å; S241-S244 PolarHBondContact O-N 3.38Å |
| 242 | P | 69.9 | Low | 70 | Confident | 105 Ų | 105 | 53 Ų | 53 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -61.9 | -16.1 | 178.5 | 21.5 | -32.9 | 0 | 0 | 0 | 114.6 | L240 | L240-P242 VanDerWaalsContact C-N 3.33Š|
| 243 | Y | 66.4 | Low | 69.3 | Low | 81 Ų | 81 | 56.1 Ų | 56.1 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -102.5 | 16.2 | -177.6 | -61.8 | -80.3 | 0 | 0 | 0 | 114.2 | L240 S241 K248 | L240-Y243 WeakPolarHBondContact O-CA 3.35Å; L240-Y243 WeakPolarHBondContact O-CB 3.38Å; L240-Y243 PolarHBondContact O-N 3.46Å; S241-Y243 PolarHBondContact O-N 3.11Å; Y243-K248 WeakPolarHBondContact O-CE 3.46Å; Y243-K248 PolarHBondContact O-NZ 3.4Å |
| 244 | S | 59.5 | Low | 68.6 | Low | 65 Ų | 65 | 56.1 Ų | 56.1 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | trans | 45.6 | 55.7 | -179.4 | 60.1 | 0 | 0 | 0 | 0 | 114.1 | S241 V246 | S241-S244 PolarHBondContact O-N 3.38Å; S244-V246 PolarHBondContact O-N 3.46Å | ||
| 245 | P | 59.5 | Low | 68 | Low | 14 Ų | 14 | 55.3 Ų | 55.3 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79.2 | -23.2 | -161 | 36.8 | -40.3 | 0 | 0 | 0 | 112.7 | Y233 L240 L247 K248 F249 | Y233-P245 HydrophobicContact CE2-CB 3.74Å; Y233-P245 HydrophobicContact CE2-CG 3.74Å; L240-P245 HydrophobicContact CB-CB 3.82Å; L240-P245 HydrophobicContact CB-CG 3.71Å; L240-P245 VanDerWaalsContact O-CD 3.24Å; L240-P245 WeakPolarHBondContact O-CD 3.48Å; L240-P245 WeakPolarHBondContact O-CG 3.3Å; P245-L247 VanDerWaalsContact C-N 3.34Å; P245-L247 PolarHBondContact O-N 3Å; P245-K248 PolarHBondContact O-N 2.84Å; P245-F249 WeakPolarHBondContact O-CB 3.48Å; P245-F249 PolarHBondContact O-N 3.46Å |
| 246 | V | 62.4 | Low | 67.7 | Low | 92 Ų | 92 | 54.8 Ų | 54.8 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.2 | -45.2 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 110.8 | Y233 S244 F249 F250 | Y233-V246 WeakPolarHBondContact OH-CG2 3.47Å; S244-V246 PolarHBondContact O-N 3.46Å; V246-F249 PolarHBondContact O-N 3.49Å; V246-F250 VanDerWaalsContact O-CB 3.25Å; V246-F250 WeakPolarHBondContact O-CB 3.27Å; V246-F250 PolarHBondContact O-N 2.83Å |
| 247 | L | 59.4 | Low | 67.2 | Low | 111 Ų | 111 | 58 Ų | 58 | 58% | 0.581 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | -179.1 | -81 | 167.6 | 0 | 0 | 0 | 111.3 | P245 M251 | P245-L247 VanDerWaalsContact C-N 3.34Å; P245-L247 PolarHBondContact O-N 3Å; L247-M251 WeakPolarHBondContact O-CB 3.34Å; L247-M251 PolarHBondContact O-N 3.45Å |
| 248 | K | 71.1 | Confident | 66.7 | Low | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 177 | -66.8 | 168.4 | 177.2 | 171.9 | 0 | 111.4 | F126 Y243 P245 M251 V252 A313 F314 | F126-K248 HydrophobicContact CE2-CB 4.19Å; Y243-K248 WeakPolarHBondContact O-CE 3.46Å; Y243-K248 PolarHBondContact O-NZ 3.4Å; P245-K248 PolarHBondContact O-N 2.84Å; K248-M251 PolarHBondContact O-N 2.89Å; K248-V252 PolarHBondContact O-N 3.36Å; K248-V252 VanDerWaalsContact O-N 3.11Å; K248-A313 WeakPolarHBondContact CE-O 3.21Å; K248-A313 HydrophobicContact CG-CB 4.01Å; K248-F314 HydrophobicContact CB-CE1 4.42Å; K248-F314 HydrophobicContact CB-CZ 4.24Å; K248-F314 HydrophobicContact CD-CD1 4.3Å; K248-F314 HydrophobicContact CD-CE1 3.83Å; K248-F314 HydrophobicContact CD-CZ 4.47Å; K248-F314 HydrophobicContact CG-CD1 4.49Å; K248-F314 HydrophobicContact CG-CE1 4Å; K248-F314 HydrophobicContact CG-CZ 4.2Å |
| 249 | F | 64.9 | Low | 66.3 | Low | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 178.4 | -176.4 | -84.8 | 0 | 0 | 0 | 111.8 | F126 L229 F230 Y233 P245 V246 M251 V252 K253 | F126-F249 HydrophobicContact CE1-CB 4.43Å; F126-F249 AromaticContact CE1-CD2 3.63Å; F126-F249 HydrophobicContact CE1-CD2 3.63Å; F126-F249 HydrophobicContact CE1-CE2 4.36Å; F126-F249 HydrophobicContact CE1-CG 4.4Å; F126-F249 HydrophobicContact CZ-CB 3.91Å; F126-F249 AromaticContact CZ-CD2 3.96Å; F126-F249 HydrophobicContact CZ-CD2 3.96Å; F126-F249 HydrophobicContact CZ-CG 4.37Å; L229-F249 HydrophobicContact CD2-CD2 4.36Å; L229-F249 HydrophobicContact CD2-CE2 3.8Å; L229-F249 HydrophobicContact CD2-CZ 4.41Å; L229-F249 HydrophobicContact CG-CD2 4.5Å; L229-F249 HydrophobicContact CG-CE2 3.78Å; F230-F249 HydrophobicContact CB-CZ 4.14Å; F230-F249 HydrophobicContact CD2-CE1 4.42Å; F230-F249 HydrophobicContact CD2-CZ 4.15Å; Y233-F249 HydrophobicContact CD1-CD2 4.42Å; Y233-F249 HydrophobicContact CD2-CD2 4.18Å; Y233-F249 AromaticContact CG-CD2 3.88Å; Y233-F249 HydrophobicContact CG-CD2 3.88Å; Y233-F249 HydrophobicContact CG-CE2 4.08Å; Y233-F249 HydrophobicContact CG-CG 4.39Å; P245-F249 WeakPolarHBondContact O-CB 3.48Å; P245-F249 PolarHBondContact O-N 3.46Å; V246-F249 PolarHBondContact O-N 3.49Å; F249-M251 VanDerWaalsContact C-N 3.26Å; F249-M251 PolarHBondContact O-N 3.19Å; F249-V252 PolarHBondContact O-N 3.48Å; F249-K253 HydrophobicContact CD1-CD 4.34Å; F249-K253 HydrophobicContact CE1-CD 3.63Å; F249-K253 HydrophobicContact CZ-CD 4.32Å; F249-K253 WeakPolarHBondContact O-CB 3.37Å; F249-K253 PolarHBondContact O-N 3.2Å |
| 250 | F | 64 | Low | 65.9 | Low | 135 Ų | 135 | 50.7 Ų | 50.7 | 59% | 0.592 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | 179.1 | -169.3 | -94.4 | 0 | 0 | 0 | 111.2 | V246 S254 | V246-F250 VanDerWaalsContact O-CB 3.25Å; V246-F250 WeakPolarHBondContact O-CB 3.27Å; V246-F250 PolarHBondContact O-N 2.83Å; F250-S254 WeakPolarHBondContact O-CA 3.39Å; F250-S254 WeakPolarHBondContact O-CB 3.27Å; F250-S254 PolarHBondContact O-N 3.32Å |
| 251 | M | 64.9 | Low | 65.7 | Low | 18 Ų | 18 | 57.8 Ų | 57.8 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.7 | -48.5 | 178.7 | 177.4 | -73.8 | -60.9 | 0 | 0 | 111.8 | L247 K248 F249 K253 S254 V255 A309 L310 A313 F314 | L247-M251 WeakPolarHBondContact O-CB 3.34Å; L247-M251 PolarHBondContact O-N 3.45Å; K248-M251 PolarHBondContact O-N 2.89Å; F249-M251 VanDerWaalsContact C-N 3.26Å; F249-M251 PolarHBondContact O-N 3.19Å; M251-K253 VanDerWaalsContact C-N 3.34Å; M251-K253 PolarHBondContact O-N 3.12Å; M251-S254 PolarHBondContact O-N 3.07Å; M251-V255 WeakPolarHBondContact O-CG2 3.12Å; M251-V255 PolarHBondContact O-N 3.19Å; M251-V255 VanDerWaalsContact O-N 3.08Å; M251-V255 HydrophobicContact SD-CG2 4.49Å; M251-A309 HydrophobicContact CG-CB 3.91Å; M251-L310 HydrophobicContact CE-CD2 3.15Å; M251-L310 HydrophobicContact CE-CG 3.79Å; M251-L310 HydrophobicContact SD-CD1 4.27Å; M251-L310 HydrophobicContact SD-CD2 3.46Å; M251-L310 WeakPolarHBondContact SD-CD2 3.35Å; M251-L310 HydrophobicContact SD-CG 3.48Å; M251-L310 WeakPolarHBondContact SD-CG 2.8Å; M251-A313 HydrophobicContact CE-CB 4.26Å; M251-F314 HydrophobicContact CE-CD2 4.2Å; M251-F314 HydrophobicContact CE-CE2 3.56Å; M251-F314 HydrophobicContact CE-CZ 4.4Å |
| 252 | V | 64 | Low | 65.4 | Low | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.3 | 176 | 0 | 0 | 0 | 0 | 110.8 | I84 V122 F126 K248 F249 I256 | I84-V252 HydrophobicContact CG2-CG2 4.13Å; V122-V252 HydrophobicContact CG1-CG1 3.79Å; F126-V252 HydrophobicContact CB-CG1 4.41Å; F126-V252 HydrophobicContact CD2-CB 4.46Å; F126-V252 HydrophobicContact CD2-CG2 3.87Å; F126-V252 HydrophobicContact CE2-CG2 4.32Å; F126-V252 HydrophobicContact CG-CG1 4.41Å; F126-V252 HydrophobicContact CG-CG2 4.32Å; K248-V252 PolarHBondContact O-N 3.36Å; K248-V252 VanDerWaalsContact O-N 3.11Å; F249-V252 PolarHBondContact O-N 3.48Å; V252-I256 HydrophobicContact CG1-CD1 4.12Å; V252-I256 WeakPolarHBondContact O-CG1 3.22Å; V252-I256 PolarHBondContact O-N 3.42Å |
| 253 | K | 67.4 | Low | 65.3 | Low | 67 Ų | 67 | 51 Ų | 51 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 177.2 | -174.1 | 172.7 | 179.1 | 170.9 | 0 | 111.7 | F249 M251 V255 I256 F257 | F249-K253 HydrophobicContact CD1-CD 4.34Å; F249-K253 HydrophobicContact CE1-CD 3.63Å; F249-K253 HydrophobicContact CZ-CD 4.32Å; F249-K253 WeakPolarHBondContact O-CB 3.37Å; F249-K253 PolarHBondContact O-N 3.2Å; M251-K253 VanDerWaalsContact C-N 3.34Å; M251-K253 PolarHBondContact O-N 3.12Å; K253-V255 VanDerWaalsContact C-N 3.34Å; K253-V255 PolarHBondContact O-N 3.27Å; K253-I256 PolarHBondContact O-N 3.22Å; K253-F257 HydrophobicContact CD-CD2 4.33Å; K253-F257 HydrophobicContact CD-CE2 4.07Å; K253-F257 HydrophobicContact CG-CD2 3.41Å; K253-F257 VanDerWaalsContact CG-CD2 3.41Å; K253-F257 HydrophobicContact CG-CE2 3.55Å; K253-F257 HydrophobicContact CG-CG 4.47Å; K253-F257 WeakPolarHBondContact O-CB 3.5Å; K253-F257 VanDerWaalsContact O-CD2 3.28Å; K253-F257 WeakPolarHBondContact O-CD2 3.26Å; K253-F257 PolarHBondContact O-N 3.33Å |
| 254 | S | 63.4 | Low | 65.4 | Low | 33 Ų | 33 | 49.9 Ų | 49.9 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | -176.7 | -173 | 0 | 0 | 0 | 0 | 111.5 | F250 M251 I256 L258 | F250-S254 WeakPolarHBondContact O-CA 3.39Å; F250-S254 WeakPolarHBondContact O-CB 3.27Å; F250-S254 PolarHBondContact O-N 3.32Å; M251-S254 PolarHBondContact O-N 3.07Å; S254-I256 PolarHBondContact O-N 3.38Å; S254-L258 WeakPolarHBondContact O-CB 3.11Å; S254-L258 WeakPolarHBondContact O-CD1 3.09Å; S254-L258 WeakPolarHBondContact O-CG 3.17Å; S254-L258 PolarHBondContact O-N 3.34Å; S254-L258 WeakPolarHBondContact OG-CD1 3.37Å |
| 255 | V | 65.6 | Low | 65.9 | Low | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.3 | 167.1 | 0 | 0 | 0 | 0 | 111 | I87 M251 K253 S259 M303 A306 | I87-V255 HydrophobicContact CD1-CG1 3.84Å; M251-V255 WeakPolarHBondContact O-CG2 3.12Å; M251-V255 PolarHBondContact O-N 3.19Å; M251-V255 VanDerWaalsContact O-N 3.08Å; M251-V255 HydrophobicContact SD-CG2 4.49Å; K253-V255 VanDerWaalsContact C-N 3.34Å; K253-V255 PolarHBondContact O-N 3.27Å; V255-S259 PolarHBondContact O-N 3.46Å; V255-S259 PolarHBondContact O-OG 3.24Å; V255-S259 VanDerWaalsContact O-OG 3.12Å; V255-M303 HydrophobicContact CG1-CE 4.01Å; V255-A306 HydrophobicContact CG2-CB 3.85Å |
| 256 | I | 69.6 | Low | 66.4 | Low | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.4 | -41.4 | -178 | -61.6 | 170.7 | 0 | 0 | 0 | 111.5 | E119 V122 I123 V252 K253 S254 F260 | E119-I256 HydrophobicContact CG-CB 4.42Å; E119-I256 HydrophobicContact CG-CD1 4.1Å; E119-I256 HydrophobicContact CG-CG1 3.96Å; E119-I256 HydrophobicContact CG-CG2 3.69Å; E119-I256 WeakPolarHBondContact OE1-CG2 3.4Å; V122-I256 HydrophobicContact CG1-CD1 4.42Å; I123-I256 HydrophobicContact CD1-CD1 4.1Å; I123-I256 HydrophobicContact CG1-CD1 3.61Å; V252-I256 HydrophobicContact CG1-CD1 4.12Å; V252-I256 WeakPolarHBondContact O-CG1 3.22Å; V252-I256 PolarHBondContact O-N 3.42Å; K253-I256 PolarHBondContact O-N 3.22Å; S254-I256 PolarHBondContact O-N 3.38Å; I256-F260 PolarHBondContact O-N 2.82Å |
| 257 | F | 65.5 | Low | 66.5 | Low | 67 Ų | 67 | 48.2 Ų | 48.2 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.7 | -41.9 | 179.7 | -93.7 | -93 | 0 | 0 | 0 | 112.7 | L226 K253 F260 W261 | L226-F257 HydrophobicContact CD1-CD2 4.23Å; L226-F257 HydrophobicContact CD1-CE2 3.36Å; L226-F257 HydrophobicContact CD1-CZ 3.69Å; L226-F257 HydrophobicContact CD2-CE2 4.26Å; L226-F257 HydrophobicContact CG-CE2 4.31Å; K253-F257 HydrophobicContact CD-CD2 4.33Å; K253-F257 HydrophobicContact CD-CE2 4.07Å; K253-F257 HydrophobicContact CG-CD2 3.41Å; K253-F257 VanDerWaalsContact CG-CD2 3.41Å; K253-F257 HydrophobicContact CG-CE2 3.55Å; K253-F257 HydrophobicContact CG-CG 4.47Å; K253-F257 WeakPolarHBondContact O-CB 3.5Å; K253-F257 VanDerWaalsContact O-CD2 3.28Å; K253-F257 WeakPolarHBondContact O-CD2 3.26Å; K253-F257 PolarHBondContact O-N 3.33Å; F257-F260 PolarHBondContact O-N 3.33Å; F257-W261 AromaticContact CD1-CD1 3.92Å; F257-W261 AromaticContact CD1-NE1 3.73Å; F257-W261 VanDerWaalsContact O-CD1 3.23Å; F257-W261 PolarHBondContact O-N 3.45Å |
| 258 | L | 67.3 | Low | 67 | Low | 78 Ų | 78 | 46.8 Ų | 46.8 | 41% | 0.408 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | -179.4 | -72.6 | 173.6 | 0 | 0 | 0 | 110.5 | S254 F260 W261 Q262 | S254-L258 WeakPolarHBondContact O-CB 3.11Å; S254-L258 WeakPolarHBondContact O-CD1 3.09Å; S254-L258 WeakPolarHBondContact O-CG 3.17Å; S254-L258 PolarHBondContact O-N 3.34Å; S254-L258 WeakPolarHBondContact OG-CD1 3.37Å; L258-F260 VanDerWaalsContact C-N 3.31Å; L258-F260 PolarHBondContact O-N 3.03Å; L258-W261 PolarHBondContact O-N 2.92Å; L258-Q262 WeakPolarHBondContact O-CB 3.22Å; L258-Q262 WeakPolarHBondContact O-CG 3.3Å; L258-Q262 PolarHBondContact O-N 3.24Å; L258-Q262 PolarHBondContact O-NE2 3.39Å |
| 259 | S | 67 | Low | 66.7 | Low | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 113.2 | V255 G263 | V255-S259 PolarHBondContact O-N 3.46Å; V255-S259 PolarHBondContact O-OG 3.24Å; V255-S259 VanDerWaalsContact O-OG 3.12Å; S259-G263 PolarHBondContact O-N 3.43Å |
| 260 | F | 67.3 | Low | 66.7 | Low | 45 Ų | 45 | 49.5 Ų | 49.5 | 20% | 0.197 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -50.7 | 174.3 | 170.5 | -101.6 | 0 | 0 | 0 | 112.8 | Y218 N219 I256 F257 L258 Q262 G263 M264 | Y218-F260 HydrophobicContact CD1-CE2 4.42Å; Y218-F260 AromaticContact CE1-CD2 3.71Å; Y218-F260 HydrophobicContact CE1-CD2 3.71Å; Y218-F260 AromaticContact CE1-CE2 3.81Å; Y218-F260 HydrophobicContact CE1-CE2 3.81Å; N219-F260 WeakPolarHBondContact OD1-CE2 3.14Å; N219-F260 WeakPolarHBondContact OD1-CZ 3.43Å; I256-F260 PolarHBondContact O-N 2.82Å; F257-F260 PolarHBondContact O-N 3.33Å; L258-F260 VanDerWaalsContact C-N 3.31Å; L258-F260 PolarHBondContact O-N 3.03Å; F260-Q262 VanDerWaalsContact C-N 3.27Å; F260-Q262 PolarHBondContact O-N 3.28Å; F260-G263 PolarHBondContact O-N 2.99Å; F260-M264 HydrophobicContact CE1-CE 4.12Å; F260-M264 HydrophobicContact CE1-SD 4.32Å; F260-M264 HydrophobicContact CZ-SD 4.14Å; F260-M264 PolarHBondContact O-N 2.98Å |
| 261 | W | 69.6 | Low | 66.8 | Low | 150 Ų | 150 | 48.6 Ų | 48.6 | 57% | 0.568 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.4 | -32.2 | -178.7 | -83.7 | 94.3 | 0 | 0 | 0 | 111.9 | F257 L258 M264 L265 | F257-W261 AromaticContact CD1-CD1 3.92Å; F257-W261 AromaticContact CD1-NE1 3.73Å; F257-W261 VanDerWaalsContact O-CD1 3.23Å; F257-W261 PolarHBondContact O-N 3.45Å; L258-W261 PolarHBondContact O-N 2.92Å; W261-M264 HydrophobicContact CD2-CE 3.75Å; W261-M264 HydrophobicContact CE3-CE 3.18Å; W261-M264 HydrophobicContact CH2-CE 3.65Å; W261-M264 HydrophobicContact CZ2-CE 4.16Å; W261-M264 HydrophobicContact CZ3-CE 3.13Å; W261-L265 WeakPolarHBondContact O-CB 3.01Å; W261-L265 PolarHBondContact O-N 3.42Å |
| 262 | Q | 65.8 | Low | 66.8 | Low | 22 Ų | 22 | 52.4 Ų | 52.4 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | 171 | -73.2 | 155 | 16.3 | 0 | 0 | 111.7 | L258 F260 M264 L265 L266 Q295 E302 | L258-Q262 WeakPolarHBondContact O-CB 3.22Å; L258-Q262 WeakPolarHBondContact O-CG 3.3Å; L258-Q262 PolarHBondContact O-N 3.24Å; L258-Q262 PolarHBondContact O-NE2 3.39Å; F260-Q262 VanDerWaalsContact C-N 3.27Å; F260-Q262 PolarHBondContact O-N 3.28Å; Q262-M264 VanDerWaalsContact C-N 3.33Å; Q262-M264 PolarHBondContact O-N 3.26Å; Q262-L265 PolarHBondContact O-N 3.46Å; Q262-L266 VanDerWaalsContact O-CB 3.31Å; Q262-L266 WeakPolarHBondContact O-CB 3.03Å; Q262-L266 WeakPolarHBondContact O-CD1 3.07Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.23Å; Q262-L266 PolarHBondContact O-N 3.12Å; Q262-Q295 HydrophobicContact CB-CG 4.26Å; Q262-E302 PolarHBondContact NE2-OE1 3.17Å; Q262-E302 PolarHBondContact NE2-OE2 2.97Å |
| 263 | G | 67.6 | Low | 66.6 | Low | 18 Ų | 18 | 54.7 Ų | 54.7 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S259 F260 L266 A267 | S259-G263 PolarHBondContact O-N 3.43Å; F260-G263 PolarHBondContact O-N 2.99Å; G263-L266 PolarHBondContact O-N 2.93Å; G263-A267 WeakPolarHBondContact O-CB 3.48Å; G263-A267 PolarHBondContact O-N 3.47Å |
| 264 | M | 67.7 | Low | 65.9 | Low | 57 Ų | 57 | 54.7 Ų | 54.7 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.7 | -175.2 | 171.9 | 63 | 0 | 0 | 112.4 | F260 W261 Q262 L266 A267 I268 | F260-M264 HydrophobicContact CE1-CE 4.12Å; F260-M264 HydrophobicContact CE1-SD 4.32Å; F260-M264 HydrophobicContact CZ-SD 4.14Å; F260-M264 PolarHBondContact O-N 2.98Å; W261-M264 HydrophobicContact CD2-CE 3.75Å; W261-M264 HydrophobicContact CE3-CE 3.18Å; W261-M264 HydrophobicContact CH2-CE 3.65Å; W261-M264 HydrophobicContact CZ2-CE 4.16Å; W261-M264 HydrophobicContact CZ3-CE 3.13Å; Q262-M264 VanDerWaalsContact C-N 3.33Å; Q262-M264 PolarHBondContact O-N 3.26Å; M264-L266 VanDerWaalsContact C-N 3.31Å; M264-L266 PolarHBondContact O-N 3.43Å; M264-A267 PolarHBondContact O-N 2.77Å; M264-I268 HydrophobicContact CG-CD1 3.95Å; M264-I268 VanDerWaalsContact O-CG1 3.26Å; M264-I268 WeakPolarHBondContact O-CG1 3.33Å; M264-I268 PolarHBondContact O-N 3.25Å |
| 265 | L | 70.8 | Confident | 65.5 | Low | 104 Ų | 104 | 54.7 Ų | 54.7 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.6 | -178.5 | 63.2 | 0 | 0 | 0 | 110.3 | W261 Q262 I268 L269 | W261-L265 WeakPolarHBondContact O-CB 3.01Å; W261-L265 PolarHBondContact O-N 3.42Å; Q262-L265 PolarHBondContact O-N 3.46Å; L265-I268 PolarHBondContact O-N 3.14Å; L265-L269 HydrophobicContact CD1-CD1 3.55Å; L265-L269 HydrophobicContact CG-CD1 3.57Å; L265-L269 WeakPolarHBondContact O-CD1 3.32Å; L265-L269 PolarHBondContact O-N 3.12Å |
| 266 | L | 69.1 | Low | 64.7 | Low | 26 Ų | 26 | 58.8 Ų | 58.8 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.7 | -73.4 | 167.3 | 0 | 0 | 0 | 112.4 | Q262 G263 M264 I268 L269 E270 A291 Q295 | Q262-L266 VanDerWaalsContact O-CB 3.31Å; Q262-L266 WeakPolarHBondContact O-CB 3.03Å; Q262-L266 WeakPolarHBondContact O-CD1 3.07Å; Q262-L266 VanDerWaalsContact O-CG 3.24Å; Q262-L266 WeakPolarHBondContact O-CG 3.23Å; Q262-L266 PolarHBondContact O-N 3.12Å; G263-L266 PolarHBondContact O-N 2.93Å; M264-L266 VanDerWaalsContact C-N 3.31Å; M264-L266 PolarHBondContact O-N 3.43Å; L266-I268 VanDerWaalsContact C-N 3.29Å; L266-I268 PolarHBondContact O-N 3.34Å; L266-L269 PolarHBondContact O-N 2.96Å; L266-E270 WeakPolarHBondContact O-CB 3.24Å; L266-E270 PolarHBondContact O-N 2.92Å; L266-A291 HydrophobicContact CB-CB 4.29Å; L266-Q295 HydrophobicContact CD1-CB 3.47Å; L266-Q295 VanDerWaalsContact CD1-CB 3.47Å; L266-Q295 HydrophobicContact CD1-CG 4Å |
| 267 | A | 65.3 | Low | 63.5 | Low | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F205 G263 M264 K271 | F205-A267 HydrophobicContact CE2-CB 4.05Å; F205-A267 HydrophobicContact CZ-CB 4.17Å; G263-A267 WeakPolarHBondContact O-CB 3.48Å; G263-A267 PolarHBondContact O-N 3.47Å; M264-A267 PolarHBondContact O-N 2.77Å; A267-K271 WeakPolarHBondContact O-CG 3.15Å; A267-K271 PolarHBondContact O-N 2.96Å |
| 268 | I | 68.9 | Low | 62.6 | Low | 80 Ų | 80 | 66.2 Ų | 66.2 | 41% | 0.41 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.6 | -44.6 | 173.8 | -67.3 | 164.5 | 0 | 0 | 0 | 110.7 | M264 L265 L266 E270 K271 C272 | M264-I268 HydrophobicContact CG-CD1 3.95Å; M264-I268 VanDerWaalsContact O-CG1 3.26Å; M264-I268 WeakPolarHBondContact O-CG1 3.33Å; M264-I268 PolarHBondContact O-N 3.25Å; L265-I268 PolarHBondContact O-N 3.14Å; L266-I268 VanDerWaalsContact C-N 3.29Å; L266-I268 PolarHBondContact O-N 3.34Å; I268-E270 VanDerWaalsContact C-N 3.26Å; I268-E270 PolarHBondContact O-N 3.34Å; I268-K271 PolarHBondContact O-N 3.49Å; I268-K271 VanDerWaalsContact O-N 3.16Å; I268-C272 WeakPolarHBondContact O-CB 3.45Å; I268-C272 PolarHBondContact O-N 3.31Å; I268-C272 PolarHBondContact O-SG 2.8Å; I268-C272 VanDerWaalsContact O-SG 3.37Å |
| 269 | L | 65.8 | Low | 61.2 | Low | 65 Ų | 65 | 71.1 Ų | 71.1 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 177.2 | -91.9 | 94.3 | 0 | 0 | 0 | 112.4 | L265 L266 C272 G273 A274 I275 | L265-L269 HydrophobicContact CD1-CD1 3.55Å; L265-L269 HydrophobicContact CG-CD1 3.57Å; L265-L269 WeakPolarHBondContact O-CD1 3.32Å; L265-L269 PolarHBondContact O-N 3.12Å; L266-L269 PolarHBondContact O-N 2.96Å; L269-C272 PolarHBondContact O-N 2.93Å; L269-G273 PolarHBondContact O-N 3.38Å; L269-A274 HydrophobicContact CB-CB 4.48Å; L269-A274 HydrophobicContact CD2-CB 4.23Å; L269-A274 HydrophobicContact CG-CB 4.42Å; L269-A274 PolarHBondContact O-N 3.33Å; L269-A274 VanDerWaalsContact O-N 3.13Å; L269-I275 HydrophobicContact CB-CD1 4.42Å; L269-I275 HydrophobicContact CB-CG1 4.43Å |
| 270 | E | 64.3 | Low | 59.8 | Low | 28 Ų | 28 | 72.4 Ų | 72.4 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.6 | -52.3 | 171.6 | -174.3 | -175.4 | 173.9 | 0 | 0 | 110.6 | L266 I268 C272 G273 I275 E287 G288 | L266-E270 WeakPolarHBondContact O-CB 3.24Å; L266-E270 PolarHBondContact O-N 2.92Å; I268-E270 VanDerWaalsContact C-N 3.26Å; I268-E270 PolarHBondContact O-N 3.34Å; E270-C272 VanDerWaalsContact C-N 3.3Å; E270-C272 PolarHBondContact O-N 3.19Å; E270-G273 PolarHBondContact O-N 3.22Å; E270-I275 HydrophobicContact CB-CD1 4.23Å; E270-E287 HydrophobicContact CG-CB 4.1Å; E270-E287 WeakPolarHBondContact OE1-CB 3.3Å; E270-G288 WeakPolarHBondContact OE1-CA 3.42Å; E270-G288 PolarHBondContact OE1-N 2.83Å |
| 271 | K | 65.2 | Low | 58.5 | Low | 116 Ų | 116 | 75.5 Ų | 75.5 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -29.7 | 178.9 | -70.2 | -69.8 | -179.9 | 178.3 | 0 | 113.6 | G203 D204 F205 A267 I268 G273 | G203-K271 WeakPolarHBondContact O-CE 3.5Å; D204-K271 IonicContact OD1-NZ 2.79Å; D204-K271 PolarHBondContact OD1-NZ 3.45Å; D204-K271 VanDerWaalsContact OD1-NZ 3.12Å; F205-K271 HydrophobicContact CD2-CG 4.26Å; A267-K271 WeakPolarHBondContact O-CG 3.15Å; A267-K271 PolarHBondContact O-N 2.96Å; I268-K271 PolarHBondContact O-N 3.49Å; I268-K271 VanDerWaalsContact O-N 3.16Å; K271-G273 PolarHBondContact O-N 2.96Å |
| 272 | C | 66.1 | Low | 56.9 | Low | 98 Ų | 98 | 79.8 Ų | 79.8 | 66% | 0.662 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -4.2 | 173.8 | -71.7 | 0 | 0 | 0 | 0 | 113.5 | I268 L269 E270 A274 | I268-C272 WeakPolarHBondContact O-CB 3.45Å; I268-C272 PolarHBondContact O-N 3.31Å; I268-C272 PolarHBondContact O-SG 2.8Å; I268-C272 VanDerWaalsContact O-SG 3.37Å; L269-C272 PolarHBondContact O-N 2.93Å; E270-C272 VanDerWaalsContact C-N 3.3Å; E270-C272 PolarHBondContact O-N 3.19Å; C272-A274 PolarHBondContact O-N 3.19Å |
| 273 | G | 59.3 | Low | 55.9 | Low | 57 Ų | 57 | 82.2 Ų | 82.2 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 16.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L269 E270 K271 I275 | L269-G273 PolarHBondContact O-N 3.38Å; E270-G273 PolarHBondContact O-N 3.22Å; K271-G273 PolarHBondContact O-N 2.96Å; G273-I275 PolarHBondContact O-N 3.35Å |
| 274 | A | 53.3 | Low | 54.5 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | trans | -75.2 | -15.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L269 C272 | L269-A274 HydrophobicContact CB-CB 4.48Å; L269-A274 HydrophobicContact CD2-CB 4.23Å; L269-A274 HydrophobicContact CG-CB 4.42Å; L269-A274 PolarHBondContact O-N 3.33Å; L269-A274 VanDerWaalsContact O-N 3.13Å; C272-A274 PolarHBondContact O-N 3.19Å | ||
| 275 | I | 54.6 | Low | 53.7 | Low | 34 Ų | 34 | 85.8 Ų | 85.8 | 17% | 0.174 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -95.4 | 114.7 | 174.2 | -55.2 | 178.3 | 0 | 0 | 0 | 108 | L269 E270 G273 V290 A291 | L269-I275 HydrophobicContact CB-CD1 4.42Å; L269-I275 HydrophobicContact CB-CG1 4.43Å; E270-I275 HydrophobicContact CB-CD1 4.23Å; G273-I275 PolarHBondContact O-N 3.35Å; I275-V290 HydrophobicContact CG2-CG1 4.17Å; I275-A291 HydrophobicContact CD1-CB 3.82Å |
| 276 | P | 48.4 | Very low | 52.9 | Low | 101 Ų | 101 | 82.6 Ų | 82.6 | 66% | 0.656 | 48% | 0.476 | S | S | * | . | trans | -65.3 | 136.5 | -175.6 | 22.7 | -30.4 | 0 | 0 | 0 | 111.7 | I278 | P276-I278 WeakPolarHBondContact O-CG1 3.2Å; P276-I278 PolarHBondContact O-N 3.43Å | ||
| 277 | K | 44.5 | Very low | 52.2 | Low | 158 Ų | 158 | 86 Ų | 86 | 69% | 0.687 | 49% | 0.491 | S | S | * | . | trans | -65 | 118.8 | 174.6 | -62.3 | -177.9 | 177.6 | -177.4 | 0 | 109.8 | E287 | K277-E287 VanDerWaalsContact CE-OE1 3.27Å; K277-E287 WeakPolarHBondContact CE-OE1 3.32Å; K277-E287 WeakPolarHBondContact CG-OE1 3.27Å | ||
| 278 | I | 47.6 | Very low | 51.8 | Low | 70 Ų | 70 | 86.7 Ų | 86.7 | 36% | 0.359 | 50% | 0.499 | S | S | . | . | trans | -103.9 | 87.5 | 176.4 | -47.8 | 179.7 | 0 | 0 | 0 | 107.8 | V39 P276 S280 | V39-I278 HydrophobicContact CG2-CD1 3.22Å; P276-I278 WeakPolarHBondContact O-CG1 3.2Å; P276-I278 PolarHBondContact O-N 3.43Å; I278-S280 PolarHBondContact O-N 3.33Å | ||
| 279 | H | 37.6 | Very low | 51.7 | Low | 182 Ų | 182 | 84.5 Ų | 84.5 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | trans | -82.6 | 88.4 | 164.7 | -91.2 | 45.3 | 0 | 0 | 0 | 108.5 | ||||
| 280 | S | 38.1 | Very low | 52 | Low | 38 Ų | 38 | 82 Ų | 82 | 27% | 0.266 | 48% | 0.476 | S | S | . | . | B | Isolated β-bridge | trans | -98.2 | 130.4 | 166.1 | -70.8 | 0 | 0 | 0 | 0 | 109.4 | E36 I278 R282 V283 | E36-S280 VanDerWaalsContact OE1-CB 3.25Å; E36-S280 WeakPolarHBondContact OE1-CB 3.37Å; E36-S280 PolarHBondContact OE1-OG 2.89Å; I278-S280 PolarHBondContact O-N 3.33Å; S280-R282 PolarHBondContact O-N 2.93Å; S280-V283 PolarHBondContact O-N 3.5Å |
| 281 | A | 38.4 | Very low | 52.3 | Low | 110 Ų | 110 | 80.8 Ų | 80.8 | 91% | 0.909 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 17.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 282 | R | 36.7 | Very low | 52.7 | Low | 240 Ų | 240 | 75.8 Ų | 75.8 | 91% | 0.906 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | -14.6 | -179.8 | -122.5 | 178.4 | -79.1 | -119.1 | 1.1 | 115.5 | S280 | S280-R282 PolarHBondContact O-N 2.93Š|
| 283 | V | 43.8 | Very low | 53.2 | Low | 73 Ų | 73 | 71.2 Ų | 71.2 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -148.5 | 110 | 174.7 | -172.4 | 0 | 0 | 0 | 0 | 108.4 | S280 V285 | S280-V283 PolarHBondContact O-N 3.5Å; V283-V285 VanDerWaalsContact C-N 3.29Å; V283-V285 HydrophobicContact CB-CG2 4.37Å; V283-V285 HydrophobicContact CG1-CG2 3.6Å; V283-V285 PolarHBondContact O-N 3.08Å |
| 284 | S | 39.2 | Very low | 54.2 | Low | 110 Ų | 110 | 72.4 Ų | 72.4 | 77% | 0.769 | 41% | 0.408 | S | S | * | . | trans | -80.4 | 79.2 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | G286 | S284-G286 PolarHBondContact O-N 2.96Š| ||
| 285 | V | 51.6 | Low | 55.6 | Low | 40 Ų | 40 | 70.5 Ų | 70.5 | 24% | 0.242 | 39% | 0.388 | C | S | . | . | trans | -71 | 118.2 | 170.1 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | F102 V283 T289 V290 | F102-V285 HydrophobicContact CE1-CG1 3.77Å; F102-V285 HydrophobicContact CE1-CG2 4.41Å; F102-V285 HydrophobicContact CZ-CG1 4.06Å; V283-V285 VanDerWaalsContact C-N 3.29Å; V283-V285 HydrophobicContact CB-CG2 4.37Å; V283-V285 HydrophobicContact CG1-CG2 3.6Å; V283-V285 PolarHBondContact O-N 3.08Å; V285-T289 HydrophobicContact CG1-CG2 3.81Å; V285-V290 HydrophobicContact CG1-CG2 4.04Å | ||
| 286 | G | 52.3 | Low | 57.1 | Low | 36 Ų | 36 | 69 Ų | 69 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | trans | -60.6 | 150.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | S284 G288 T289 | S284-G286 PolarHBondContact O-N 2.96Å; G286-G288 PolarHBondContact O-N 2.92Å; G286-T289 PolarHBondContact O-N 3.43Å | ||
| 287 | E | 54.8 | Low | 58.9 | Low | 97 Ų | 97 | 65.8 Ų | 65.8 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -51.3 | -40.5 | -179.2 | -65.7 | 177.2 | 170.6 | 0 | 0 | 111.9 | E270 K277 T289 V290 | E270-E287 HydrophobicContact CG-CB 4.1Å; E270-E287 WeakPolarHBondContact OE1-CB 3.3Å; K277-E287 VanDerWaalsContact CE-OE1 3.27Å; K277-E287 WeakPolarHBondContact CE-OE1 3.32Å; K277-E287 WeakPolarHBondContact CG-OE1 3.27Å; E287-T289 PolarHBondContact O-N 3.46Å; E287-V290 PolarHBondContact O-N 3.22Å |
| 288 | G | 58.2 | Low | 60.9 | Low | 21 Ų | 21 | 61.4 Ų | 61.4 | 22% | 0.216 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -28.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | E270 G286 A291 A292 | E270-G288 WeakPolarHBondContact OE1-CA 3.42Å; E270-G288 PolarHBondContact OE1-N 2.83Å; G286-G288 PolarHBondContact O-N 2.92Å; G288-A291 PolarHBondContact O-N 3.19Å; G288-A292 WeakPolarHBondContact O-CB 3.11Å; G288-A292 PolarHBondContact O-N 3.23Å |
| 289 | T | 66.6 | Low | 62.8 | Low | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.7 | -34 | -179 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | F102 V285 G286 E287 A292 G293 | F102-T289 HydrophobicContact CD2-CG2 4.47Å; F102-T289 HydrophobicContact CE1-CG2 4.31Å; F102-T289 HydrophobicContact CE2-CG2 3.95Å; F102-T289 WeakPolarHBondContact CE2-O 3.38Å; F102-T289 HydrophobicContact CZ-CG2 3.86Å; F102-T289 WeakPolarHBondContact CZ-O 3.38Å; V285-T289 HydrophobicContact CG1-CG2 3.81Å; G286-T289 PolarHBondContact O-N 3.43Å; E287-T289 PolarHBondContact O-N 3.46Å; T289-A292 WeakPolarHBondContact O-CB 3.46Å; T289-G293 PolarHBondContact O-N 2.83Å |
| 290 | V | 71 | Confident | 65.3 | Low | 12 Ų | 12 | 49.4 Ų | 49.4 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.1 | -43.6 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | V39 F102 I275 V285 E287 A292 G293 Y294 | V39-V290 HydrophobicContact CG1-CG1 4.43Å; F102-V290 HydrophobicContact CZ-CG2 4.34Å; I275-V290 HydrophobicContact CG2-CG1 4.17Å; V285-V290 HydrophobicContact CG1-CG2 4.04Å; E287-V290 PolarHBondContact O-N 3.22Å; V290-A292 VanDerWaalsContact C-N 3.35Å; V290-G293 PolarHBondContact O-N 2.87Å; V290-Y294 HydrophobicContact CG1-CD2 4.11Å; V290-Y294 HydrophobicContact CG1-CE2 3.94Å; V290-Y294 WeakPolarHBondContact O-CD2 3.48Å; V290-Y294 PolarHBondContact O-N 3.42Å; V290-Y294 VanDerWaalsContact O-N 3.15Å |
| 291 | A | 70.2 | Confident | 67.7 | Low | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L266 I275 G288 G293 Y294 Q295 | L266-A291 HydrophobicContact CB-CB 4.29Å; I275-A291 HydrophobicContact CD1-CB 3.82Å; G288-A291 PolarHBondContact O-N 3.19Å; A291-G293 VanDerWaalsContact C-N 3.34Å; A291-G293 PolarHBondContact O-N 3.38Å; A291-Y294 PolarHBondContact O-N 2.97Å; A291-Q295 PolarHBondContact O-N 2.92Å |
| 292 | A | 73.3 | Confident | 70.1 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.3 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y108 G288 T289 V290 Y294 Q295 D296 | Y108-A292 HydrophobicContact CE1-CB 4.3Å; Y108-A292 HydrophobicContact CE2-CB 3.88Å; Y108-A292 WeakPolarHBondContact OH-CB 3.47Å; G288-A292 WeakPolarHBondContact O-CB 3.11Å; G288-A292 PolarHBondContact O-N 3.23Å; T289-A292 WeakPolarHBondContact O-CB 3.46Å; V290-A292 VanDerWaalsContact C-N 3.35Å; A292-Y294 PolarHBondContact O-N 3.49Å; A292-Q295 VanDerWaalsContact O-CB 3.3Å; A292-Q295 WeakPolarHBondContact O-CB 3.32Å; A292-Q295 PolarHBondContact O-N 3.44Å; A292-D296 PolarHBondContact O-N 2.8Å |
| 293 | G | 77.8 | Confident | 72.6 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L99 T289 V290 A291 Q295 D296 F297 | L99-G293 VanDerWaalsContact CD2-O 3.32Å; L99-G293 WeakPolarHBondContact CD2-O 3.4Å; T289-G293 PolarHBondContact O-N 2.83Å; V290-G293 PolarHBondContact O-N 2.87Å; A291-G293 VanDerWaalsContact C-N 3.34Å; A291-G293 PolarHBondContact O-N 3.38Å; G293-Q295 VanDerWaalsContact C-N 3.34Å; G293-D296 PolarHBondContact O-N 3.12Å; G293-F297 PolarHBondContact O-N 2.9Å |
| 294 | Y | 81 | Confident | 74.9 | Confident | 82 Ų | 82 | 33.1 Ų | 33.1 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 173.9 | -84 | -73.8 | 0 | 0 | 0 | 112 | F40 L41 V290 A291 A292 F297 I298 | F40-Y294 HydrophobicContact CD1-CE1 4.25Å; L41-Y294 HydrophobicContact CD1-CD1 4.35Å; L41-Y294 HydrophobicContact CD1-CD2 3.58Å; L41-Y294 HydrophobicContact CD1-CE1 4.48Å; L41-Y294 HydrophobicContact CD1-CE2 3.71Å; L41-Y294 HydrophobicContact CD1-CG 3.91Å; L41-Y294 HydrophobicContact CD2-CD1 4.02Å; L41-Y294 HydrophobicContact CD2-CE1 4.22Å; L41-Y294 HydrophobicContact CD2-CG 4.27Å; L41-Y294 HydrophobicContact CG-CD1 4.29Å; L41-Y294 HydrophobicContact CG-CD2 4.29Å; L41-Y294 HydrophobicContact CG-CE1 4.16Å; L41-Y294 HydrophobicContact CG-CE2 4.14Å; L41-Y294 HydrophobicContact CG-CG 4.35Å; V290-Y294 HydrophobicContact CG1-CD2 4.11Å; V290-Y294 HydrophobicContact CG1-CE2 3.94Å; V290-Y294 WeakPolarHBondContact O-CD2 3.48Å; V290-Y294 PolarHBondContact O-N 3.42Å; V290-Y294 VanDerWaalsContact O-N 3.15Å; A291-Y294 PolarHBondContact O-N 2.97Å; A292-Y294 PolarHBondContact O-N 3.49Å; Y294-F297 PolarHBondContact O-N 2.87Å; Y294-I298 WeakPolarHBondContact O-CG1 3.28Å; Y294-I298 PolarHBondContact O-N 3.02Å; Y294-I298 VanDerWaalsContact O-N 3.08Å |
| 295 | Q | 82.9 | Confident | 77.3 | Confident | 27 Ų | 27 | 33.6 Ų | 33.6 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 173.7 | -164.7 | 179.6 | -42.5 | 0 | 0 | 111.1 | Q262 L266 A291 A292 G293 F297 I298 I299 | Q262-Q295 HydrophobicContact CB-CG 4.26Å; L266-Q295 HydrophobicContact CD1-CB 3.47Å; L266-Q295 VanDerWaalsContact CD1-CB 3.47Å; L266-Q295 HydrophobicContact CD1-CG 4Å; A291-Q295 PolarHBondContact O-N 2.92Å; A292-Q295 VanDerWaalsContact O-CB 3.3Å; A292-Q295 WeakPolarHBondContact O-CB 3.32Å; A292-Q295 PolarHBondContact O-N 3.44Å; G293-Q295 VanDerWaalsContact C-N 3.34Å; Q295-F297 VanDerWaalsContact C-N 3.3Å; Q295-F297 PolarHBondContact O-N 3.38Å; Q295-I298 PolarHBondContact O-N 3.49Å; Q295-I298 VanDerWaalsContact O-N 3.16Å; Q295-I299 HydrophobicContact CG-CD1 3.95Å; Q295-I299 VanDerWaalsContact O-CG1 3.31Å; Q295-I299 WeakPolarHBondContact O-CG1 3.3Å; Q295-I299 PolarHBondContact O-N 2.99Å |
| 296 | D | 84.4 | Confident | 79 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -35 | -178.4 | -74.6 | -31.6 | 0 | 0 | 0 | 112.2 | S95 S98 L99 Y108 R115 A292 G293 I299 C300 | S95-D296 PolarHBondContact OG-OD1 3Å; S98-D296 VanDerWaalsContact CB-OD2 3.25Å; S98-D296 WeakPolarHBondContact CB-OD2 3.4Å; S98-D296 PolarHBondContact OG-OD2 2.6Å; L99-D296 HydrophobicContact CD2-CB 4.31Å; L99-D296 HydrophobicContact CG-CB 4.06Å; Y108-D296 WeakPolarHBondContact CE2-OD2 3.32Å; R115-D296 IonicContact CZ-OD1 3.22Å; R115-D296 IonicContact NH1-OD1 2.9Å; R115-D296 PolarHBondContact NH1-OD1 3.44Å; A292-D296 PolarHBondContact O-N 2.8Å; G293-D296 PolarHBondContact O-N 3.12Å; D296-I299 PolarHBondContact O-N 3.35Å; D296-C300 PolarHBondContact O-N 2.98Å; D296-C300 PolarHBondContact O-SG 2.85Å |
| 297 | F | 87.1 | Confident | 80.7 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 15% | 0.149 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 172.1 | 179.9 | -96.7 | 0 | 0 | 0 | 112.6 | F40 L41 A46 I49 L99 G293 Y294 Q295 C300 V301 | F40-F297 HydrophobicContact CE1-CE1 4.38Å; F40-F297 HydrophobicContact CE1-CZ 4.3Å; L41-F297 HydrophobicContact CD2-CB 3.87Å; L41-F297 HydrophobicContact CD2-CG 4.35Å; A46-F297 HydrophobicContact CB-CE2 4.25Å; I49-F297 HydrophobicContact CG2-CZ 4.41Å; L99-F297 HydrophobicContact CD1-CB 4.2Å; L99-F297 HydrophobicContact CD1-CD2 4.48Å; L99-F297 HydrophobicContact CD2-CB 4.31Å; G293-F297 PolarHBondContact O-N 2.9Å; Y294-F297 PolarHBondContact O-N 2.87Å; Q295-F297 VanDerWaalsContact C-N 3.3Å; Q295-F297 PolarHBondContact O-N 3.38Å; F297-C300 WeakPolarHBondContact O-CB 3.31Å; F297-C300 PolarHBondContact O-N 3.18Å; F297-V301 PolarHBondContact O-N 3.39Å |
| 298 | I | 86.9 | Confident | 82.4 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 33% | 0.333 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 176.8 | -67.9 | 166.7 | 0 | 0 | 0 | 110 | Y294 Q295 C300 V301 E302 | Y294-I298 WeakPolarHBondContact O-CG1 3.28Å; Y294-I298 PolarHBondContact O-N 3.02Å; Y294-I298 VanDerWaalsContact O-N 3.08Å; Q295-I298 PolarHBondContact O-N 3.49Å; Q295-I298 VanDerWaalsContact O-N 3.16Å; I298-C300 VanDerWaalsContact C-N 3.29Å; I298-C300 PolarHBondContact O-N 3.04Å; I298-V301 PolarHBondContact O-N 2.82Å; I298-E302 HydrophobicContact CG2-CG 4.09Å; I298-E302 WeakPolarHBondContact O-CG 3.47Å; I298-E302 PolarHBondContact O-N 3.06Å |
| 299 | I | 87.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -42.1 | 177.6 | -70.4 | 169.9 | 0 | 0 | 0 | 111.2 | Y91 S95 R115 Q295 D296 V301 E302 M303 | Y91-I299 HydrophobicContact CD1-CG2 4.38Å; S95-I299 WeakPolarHBondContact OG-CG2 3.02Å; R115-I299 VanDerWaalsContact NH1-CD1 3.27Å; Q295-I299 HydrophobicContact CG-CD1 3.95Å; Q295-I299 VanDerWaalsContact O-CG1 3.31Å; Q295-I299 WeakPolarHBondContact O-CG1 3.3Å; Q295-I299 PolarHBondContact O-N 2.99Å; D296-I299 PolarHBondContact O-N 3.35Å; I299-V301 VanDerWaalsContact C-N 3.27Å; I299-V301 PolarHBondContact O-N 2.99Å; I299-E302 PolarHBondContact O-N 3.48Å; I299-M303 HydrophobicContact CG2-CE 4.22Å; I299-M303 HydrophobicContact CG2-CG 3.96Å; I299-M303 WeakPolarHBondContact O-CB 3.49Å; I299-M303 VanDerWaalsContact O-CG 3.27Å; I299-M303 WeakPolarHBondContact O-CG 3.24Å; I299-M303 PolarHBondContact O-N 3.47Å |
| 300 | C | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.8 | -42.2 | 176.6 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | V54 D296 F297 I298 | V54-C300 HydrophobicContact CG2-CB 3.68Å; D296-C300 PolarHBondContact O-N 2.98Å; D296-C300 PolarHBondContact O-SG 2.85Å; F297-C300 WeakPolarHBondContact O-CB 3.31Å; F297-C300 PolarHBondContact O-N 3.18Å; I298-C300 VanDerWaalsContact C-N 3.29Å; I298-C300 PolarHBondContact O-N 3.04Å |
| 301 | V | 88.9 | Confident | 85.4 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 21% | 0.212 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.1 | -41.6 | 178.2 | 178.5 | 0 | 0 | 0 | 0 | 111 | F53 F297 I298 I299 M303 F304 F305 | F53-V301 HydrophobicContact CD2-CG2 3.97Å; F53-V301 HydrophobicContact CE2-CG2 4.26Å; F53-V301 HydrophobicContact CG-CG2 4.5Å; F297-V301 PolarHBondContact O-N 3.39Å; I298-V301 PolarHBondContact O-N 2.82Å; I299-V301 VanDerWaalsContact C-N 3.27Å; I299-V301 PolarHBondContact O-N 2.99Å; V301-M303 PolarHBondContact O-N 2.87Å; V301-F304 WeakPolarHBondContact O-CB 3.39Å; V301-F304 PolarHBondContact O-N 3.48Å; V301-F305 HydrophobicContact CG1-CD2 4.33Å; V301-F305 HydrophobicContact CG1-CE2 3.88Å; V301-F305 WeakPolarHBondContact O-CD2 3.48Å |
| 302 | E | 88.8 | Confident | 86.1 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 179.9 | -72.3 | -171.6 | 160.6 | 0 | 0 | 112.9 | Q262 I298 I299 F304 F305 A306 | Q262-E302 PolarHBondContact NE2-OE1 3.17Å; Q262-E302 PolarHBondContact NE2-OE2 2.97Å; I298-E302 HydrophobicContact CG2-CG 4.09Å; I298-E302 WeakPolarHBondContact O-CG 3.47Å; I298-E302 PolarHBondContact O-N 3.06Å; I299-E302 PolarHBondContact O-N 3.48Å; E302-F304 PolarHBondContact O-N 3.21Å; E302-F305 PolarHBondContact O-N 3.29Å; E302-F305 VanDerWaalsContact O-N 3.11Å; E302-A306 WeakPolarHBondContact O-CB 3.47Å; E302-A306 PolarHBondContact O-N 3.42Å |
| 303 | M | 89.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -28.5 | 178 | -73.6 | -50.3 | 110 | 0 | 0 | 112.4 | V88 Y91 A92 V255 I299 V301 A307 | V88-M303 HydrophobicContact CG1-CB 4.31Å; V88-M303 HydrophobicContact CG2-SD 4.41Å; Y91-M303 HydrophobicContact CD1-CE 4.46Å; Y91-M303 HydrophobicContact CG-SD 4.33Å; A92-M303 HydrophobicContact CB-CB 3.84Å; A92-M303 HydrophobicContact CB-CG 4.09Å; V255-M303 HydrophobicContact CG1-CE 4.01Å; I299-M303 HydrophobicContact CG2-CE 4.22Å; I299-M303 HydrophobicContact CG2-CG 3.96Å; I299-M303 WeakPolarHBondContact O-CB 3.49Å; I299-M303 VanDerWaalsContact O-CG 3.27Å; I299-M303 WeakPolarHBondContact O-CG 3.24Å; I299-M303 PolarHBondContact O-N 3.47Å; V301-M303 PolarHBondContact O-N 2.87Å; M303-A307 WeakPolarHBondContact O-CB 3.48Å; M303-A307 PolarHBondContact O-N 3.25Å |
| 304 | F | 90.7 | Very high | 86.7 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -49.1 | 171.9 | 168.2 | -101.4 | 0 | 0 | 0 | 112.3 | F53 T56 A57 I60 V301 E302 A306 A307 L308 | F53-F304 HydrophobicContact CB-CB 4.3Å; F53-F304 HydrophobicContact CD1-CB 3.89Å; F53-F304 AromaticContact CD1-CD1 3.8Å; F53-F304 HydrophobicContact CD1-CD1 3.8Å; F53-F304 HydrophobicContact CD1-CD2 4.34Å; F53-F304 HydrophobicContact CD1-CE1 4.44Å; F53-F304 AromaticContact CD1-CG 3.74Å; F53-F304 HydrophobicContact CD1-CG 3.74Å; F53-F304 AromaticContact CE1-CD1 3.98Å; F53-F304 HydrophobicContact CE1-CD1 3.98Å; F53-F304 HydrophobicContact CE1-CE1 4.3Å; F53-F304 HydrophobicContact CE1-CG 4.37Å; T56-F304 HydrophobicContact CG2-CD2 3.98Å; T56-F304 HydrophobicContact CG2-CE2 3.59Å; A57-F304 HydrophobicContact CB-CB 4.3Å; I60-F304 HydrophobicContact CD1-CD2 4.34Å; I60-F304 HydrophobicContact CD1-CE2 3.97Å; V301-F304 WeakPolarHBondContact O-CB 3.39Å; V301-F304 PolarHBondContact O-N 3.48Å; E302-F304 PolarHBondContact O-N 3.21Å; F304-A306 VanDerWaalsContact C-N 3.31Å; F304-A306 PolarHBondContact O-N 2.81Å; F304-A307 WeakPolarHBondContact O-CB 3.46Å; F304-A307 PolarHBondContact O-N 3.11Å; F304-L308 HydrophobicContact CE1-CD1 3.89Å; F304-L308 HydrophobicContact CE2-CD1 4.37Å; F304-L308 HydrophobicContact CZ-CD1 3.78Å; F304-L308 PolarHBondContact O-N 3.07Å |
| 305 | F | 89.3 | Confident | 86.9 | Confident | 121 Ų | 121 | 39 Ų | 39 | 53% | 0.531 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.2 | -67.8 | -72.5 | 0 | 0 | 0 | 111.6 | V301 E302 A307 L308 A309 | V301-F305 HydrophobicContact CG1-CD2 4.33Å; V301-F305 HydrophobicContact CG1-CE2 3.88Å; V301-F305 WeakPolarHBondContact O-CD2 3.48Å; E302-F305 PolarHBondContact O-N 3.29Å; E302-F305 VanDerWaalsContact O-N 3.11Å; F305-A307 VanDerWaalsContact C-N 3.33Å; F305-A307 PolarHBondContact O-N 3.22Å; F305-L308 PolarHBondContact O-N 3.24Å; F305-A309 WeakPolarHBondContact O-CB 3.31Å; F305-A309 PolarHBondContact O-N 3.24Å |
| 306 | A | 87.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V88 V255 E302 F304 L308 A309 L310 | V88-A306 HydrophobicContact CG2-CB 4.26Å; V255-A306 HydrophobicContact CG2-CB 3.85Å; E302-A306 WeakPolarHBondContact O-CB 3.47Å; E302-A306 PolarHBondContact O-N 3.42Å; F304-A306 VanDerWaalsContact C-N 3.31Å; F304-A306 PolarHBondContact O-N 2.81Å; A306-L308 VanDerWaalsContact C-N 3.33Å; A306-L308 PolarHBondContact O-N 3.48Å; A306-A309 PolarHBondContact O-N 2.93Å; A306-L310 VanDerWaalsContact O-CB 3.27Å; A306-L310 WeakPolarHBondContact O-CB 3.01Å; A306-L310 WeakPolarHBondContact O-CG 3.4Å; A306-L310 PolarHBondContact O-N 3.41Å |
| 307 | A | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A57 I60 V88 M303 F304 F305 R311 | A57-A307 HydrophobicContact CB-CB 4.22Å; I60-A307 HydrophobicContact CB-CB 4.34Å; I60-A307 HydrophobicContact CG2-CB 4.06Å; V88-A307 HydrophobicContact CG1-CB 3.99Å; M303-A307 WeakPolarHBondContact O-CB 3.48Å; M303-A307 PolarHBondContact O-N 3.25Å; F304-A307 WeakPolarHBondContact O-CB 3.46Å; F304-A307 PolarHBondContact O-N 3.11Å; F305-A307 VanDerWaalsContact C-N 3.33Å; F305-A307 PolarHBondContact O-N 3.22Å; A307-R311 VanDerWaalsContact O-CB 3.28Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 3.46Å |
| 308 | L | 89.5 | Confident | 86.4 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.1 | -67.1 | 175 | 0 | 0 | 0 | 111.8 | I60 F304 F305 A306 R311 H312 | I60-L308 HydrophobicContact CD1-CD2 3.83Å; I60-L308 HydrophobicContact CD1-CG 4.41Å; F304-L308 HydrophobicContact CE1-CD1 3.89Å; F304-L308 HydrophobicContact CE2-CD1 4.37Å; F304-L308 HydrophobicContact CZ-CD1 3.78Å; F304-L308 PolarHBondContact O-N 3.07Å; F305-L308 PolarHBondContact O-N 3.24Å; A306-L308 VanDerWaalsContact C-N 3.33Å; A306-L308 PolarHBondContact O-N 3.48Å; L308-R311 WeakPolarHBondContact O-CB 3.45Å; L308-R311 PolarHBondContact O-N 2.88Å; L308-H312 PolarHBondContact O-N 3.23Å; L308-H312 VanDerWaalsContact O-N 3.07Å |
| 309 | A | 86.1 | Confident | 86.1 | Confident | 41 Ų | 41 | 46 Ų | 46 | 34% | 0.339 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M251 F305 A306 R311 H312 A313 | M251-A309 HydrophobicContact CG-CB 3.91Å; F305-A309 WeakPolarHBondContact O-CB 3.31Å; F305-A309 PolarHBondContact O-N 3.24Å; A306-A309 PolarHBondContact O-N 2.93Å; A309-R311 VanDerWaalsContact C-N 3.3Å; A309-R311 PolarHBondContact O-N 3.33Å; A309-H312 PolarHBondContact O-N 3.35Å; A309-H312 VanDerWaalsContact O-N 3.14Å; A309-A313 VanDerWaalsContact O-CB 3.27Å; A309-A313 WeakPolarHBondContact O-CB 3.49Å; A309-A313 PolarHBondContact O-N 3.26Å |
| 310 | L | 85.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 174.9 | -82.8 | 160.2 | 0 | 0 | 0 | 112.1 | Q64 I84 L85 I87 V88 M251 A306 H312 F314 | Q64-L310 PolarHBondContact NE2-O 3.33Å; I84-L310 HydrophobicContact CG2-CD2 4.15Å; L85-L310 HydrophobicContact CD2-CB 4.15Å; I87-L310 HydrophobicContact CG2-CD1 4.17Å; V88-L310 HydrophobicContact CG2-CD1 3.23Å; M251-L310 HydrophobicContact CE-CD2 3.15Å; M251-L310 HydrophobicContact CE-CG 3.79Å; M251-L310 HydrophobicContact SD-CD1 4.27Å; M251-L310 HydrophobicContact SD-CD2 3.46Å; M251-L310 WeakPolarHBondContact SD-CD2 3.35Å; M251-L310 HydrophobicContact SD-CG 3.48Å; M251-L310 WeakPolarHBondContact SD-CG 2.8Å; A306-L310 VanDerWaalsContact O-CB 3.27Å; A306-L310 WeakPolarHBondContact O-CB 3.01Å; A306-L310 WeakPolarHBondContact O-CG 3.4Å; A306-L310 PolarHBondContact O-N 3.41Å; L310-H312 VanDerWaalsContact C-N 3.33Å; L310-F314 HydrophobicContact CD2-CD2 3.74Å; L310-F314 HydrophobicContact CD2-CE2 3.78Å; L310-F314 PolarHBondContact O-N 2.92Å |
| 311 | R | 87.4 | Confident | 85.3 | Confident | 103 Ų | 103 | 52 Ų | 52 | 39% | 0.389 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 173.3 | -177.7 | 172.2 | 171.4 | 149.3 | -2.7 | 112.6 | I60 A307 L308 A309 | I60-R311 HydrophobicContact CG2-CB 4.5Å; A307-R311 VanDerWaalsContact O-CB 3.28Å; A307-R311 WeakPolarHBondContact O-CB 3.25Å; A307-R311 PolarHBondContact O-N 3.46Å; L308-R311 WeakPolarHBondContact O-CB 3.45Å; L308-R311 PolarHBondContact O-N 2.88Å; A309-R311 VanDerWaalsContact C-N 3.3Å; A309-R311 PolarHBondContact O-N 3.33Å |
| 312 | H | 84.9 | Confident | 84.8 | Confident | 152 Ų | 152 | 53.9 Ų | 53.9 | 70% | 0.704 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -75.8 | -44.4 | 177.9 | -166.2 | 68.9 | 0 | 0 | 0 | 112 | L308 A309 L310 | L308-H312 PolarHBondContact O-N 3.23Å; L308-H312 VanDerWaalsContact O-N 3.07Å; A309-H312 PolarHBondContact O-N 3.35Å; A309-H312 VanDerWaalsContact O-N 3.14Å; L310-H312 VanDerWaalsContact C-N 3.33Å |
| 313 | A | 82.6 | Confident | 83.9 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K248 M251 A309 | K248-A313 WeakPolarHBondContact CE-O 3.21Å; K248-A313 HydrophobicContact CG-CB 4.01Å; M251-A313 HydrophobicContact CE-CB 4.26Å; A309-A313 VanDerWaalsContact O-CB 3.27Å; A309-A313 WeakPolarHBondContact O-CB 3.49Å; A309-A313 PolarHBondContact O-N 3.26Å |
| 314 | F | 81.8 | Confident | 83 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 64.1 | -179.8 | -61 | -67.9 | 0 | 0 | 0 | 112.1 | Q64 H68 I81 I84 L129 K248 M251 L310 Y316 | Q64-F314 PolarHBondContact NE2-O 2.75Å; H68-F314 PolarHBondContact NE2-O 2.65Å; I81-F314 HydrophobicContact CD1-CD1 4.34Å; I81-F314 HydrophobicContact CG1-CD1 4.04Å; I81-F314 HydrophobicContact CG1-CE1 4.34Å; I81-F314 HydrophobicContact CG2-CB 3.78Å; I81-F314 HydrophobicContact CG2-CD1 4.09Å; I81-F314 HydrophobicContact CG2-CG 3.94Å; I84-F314 HydrophobicContact CD1-CZ 4.34Å; I84-F314 HydrophobicContact CG2-CE2 3.99Å; L129-F314 HydrophobicContact CD2-CE1 3.69Å; L129-F314 HydrophobicContact CD2-CZ 4.23Å; K248-F314 HydrophobicContact CB-CE1 4.42Å; K248-F314 HydrophobicContact CB-CZ 4.24Å; K248-F314 HydrophobicContact CD-CD1 4.3Å; K248-F314 HydrophobicContact CD-CE1 3.83Å; K248-F314 HydrophobicContact CD-CZ 4.47Å; K248-F314 HydrophobicContact CG-CD1 4.49Å; K248-F314 HydrophobicContact CG-CE1 4Å; K248-F314 HydrophobicContact CG-CZ 4.2Å; M251-F314 HydrophobicContact CE-CD2 4.2Å; M251-F314 HydrophobicContact CE-CE2 3.56Å; M251-F314 HydrophobicContact CE-CZ 4.4Å; L310-F314 HydrophobicContact CD2-CD2 3.74Å; L310-F314 HydrophobicContact CD2-CE2 3.78Å; L310-F314 PolarHBondContact O-N 2.92Å; F314-Y316 PolarHBondContact O-N 3.37Å |
| 315 | T | 83.9 | Confident | 82 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -63.8 | 132.7 | 179.1 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | K317 V318 | T315-K317 PolarHBondContact O-N 2.85Å; T315-V318 HydrophobicContact CG2-CG2 3.79Å | ||
| 316 | Y | 80.2 | Confident | 80.8 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -74.3 | -16.9 | 176.1 | 67.9 | -92.9 | 0 | 0 | 0 | 112.5 | M67 F314 V318 Y319 A320 | M67-Y316 HydrophobicContact CB-CD1 3.92Å; M67-Y316 HydrophobicContact CB-CD2 4.05Å; M67-Y316 HydrophobicContact CB-CE1 4.37Å; M67-Y316 HydrophobicContact CB-CG 3.74Å; M67-Y316 HydrophobicContact CE-CD2 3.71Å; M67-Y316 HydrophobicContact CE-CE1 4.46Å; M67-Y316 HydrophobicContact CE-CE2 3.24Å; M67-Y316 HydrophobicContact CE-CG 4.49Å; M67-Y316 HydrophobicContact CG-CD1 4.41Å; M67-Y316 HydrophobicContact CG-CE1 4.38Å; F314-Y316 PolarHBondContact O-N 3.37Å; Y316-V318 VanDerWaalsContact C-N 3.27Å; Y316-V318 PolarHBondContact O-N 3.34Å; Y316-Y319 PolarHBondContact O-N 3.46Å; Y316-A320 HydrophobicContact CD2-CB 4.5Å; Y316-A320 PolarHBondContact O-N 3.37Å |
| 317 | K | 82.3 | Confident | 79.3 | Confident | 140 Ų | 140 | 66.7 Ų | 66.7 | 61% | 0.609 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | -174.4 | -67.9 | -174.9 | 178.6 | -178.5 | 0 | 112.6 | T315 Y319 A320 D321 | T315-K317 PolarHBondContact O-N 2.85Å; K317-Y319 PolarHBondContact O-N 3.16Å; K317-A320 PolarHBondContact O-N 3.37Å; K317-D321 PolarHBondContact O-N 3.22Å |
| 318 | V | 82.6 | Confident | 77.6 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 46% | 0.461 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | T315 Y316 K322 | T315-V318 HydrophobicContact CG2-CG2 3.79Å; Y316-V318 VanDerWaalsContact C-N 3.27Å; Y316-V318 PolarHBondContact O-N 3.34Å; V318-K322 WeakPolarHBondContact O-CG 3.29Å; V318-K322 PolarHBondContact O-N 2.94Å |
| 319 | Y | 80.3 | Confident | 75.7 | Confident | 9 Ų | 9 | 76.9 Ų | 76.9 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -85.4 | -29 | 179.4 | -61.1 | -74.4 | 0 | 0 | 0 | 113 | H68 S73 C74 E77 Q78 I81 Y316 K317 R323 | H68-Y319 AromaticContact CE1-CD2 3.76Å; H68-Y319 AromaticContact CE1-CE2 3.94Å; H68-Y319 AromaticContact ND1-CD2 3.83Å; S73-Y319 PolarHBondContact OG-O 3.28Å; C74-Y319 HydrophobicContact CB-CD1 4.07Å; C74-Y319 HydrophobicContact CB-CE1 3.95Å; E77-Y319 HydrophobicContact CB-CE1 4.45Å; E77-Y319 WeakPolarHBondContact OE2-CE1 3.49Å; E77-Y319 PolarHBondContact OE2-OH 3.22Å; Q78-Y319 HydrophobicContact CG-CD1 3.74Å; Q78-Y319 HydrophobicContact CG-CD2 4.22Å; Q78-Y319 HydrophobicContact CG-CE1 3.73Å; Q78-Y319 HydrophobicContact CG-CE2 4.2Å; Q78-Y319 HydrophobicContact CG-CG 4Å; Q78-Y319 VanDerWaalsContact NE2-CG 3.35Å; I81-Y319 HydrophobicContact CD1-CE2 3.83Å; I81-Y319 WeakPolarHBondContact CD1-OH 3.47Å; Y316-Y319 PolarHBondContact O-N 3.46Å; K317-Y319 PolarHBondContact O-N 3.16Å; Y319-R323 WeakPolarHBondContact O-CB 3.46Å; Y319-R323 PolarHBondContact O-N 2.94Å |
| 320 | A | 79.6 | Confident | 73.7 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 21% | 0.207 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C71 Y316 K317 R323 L324 | C71-A320 HydrophobicContact CB-CB 4.38Å; Y316-A320 HydrophobicContact CD2-CB 4.5Å; Y316-A320 PolarHBondContact O-N 3.37Å; K317-A320 PolarHBondContact O-N 3.37Å; A320-R323 VanDerWaalsContact O-CB 3.28Å; A320-R323 WeakPolarHBondContact O-CB 3.31Å; A320-R323 PolarHBondContact O-N 3.45Å; A320-R323 VanDerWaalsContact O-N 3.16Å; A320-L324 WeakPolarHBondContact O-CG 3.39Å; A320-L324 PolarHBondContact O-N 2.85Å |
| 321 | D | 80.9 | Confident | 72.1 | Confident | 101 Ų | 101 | 85.6 Ų | 85.6 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 178.5 | -152 | 31.8 | 0 | 0 | 0 | 111.3 | K317 R323 L324 D325 | K317-D321 PolarHBondContact O-N 3.22Å; D321-R323 PolarHBondContact O-N 2.96Å; D321-R323 VanDerWaalsContact O-N 3.12Å; D321-L324 WeakPolarHBondContact O-CB 3.16Å; D321-L324 PolarHBondContact O-N 3.07Å; D321-D325 PolarHBondContact O-N 3.3Å |
| 322 | K | 76.9 | Confident | 70.5 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 32% | 0.317 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.3 | -33.7 | 170.7 | -71.9 | -179.8 | 179.8 | -174.9 | 0 | 112.8 | V318 A326 | V318-K322 WeakPolarHBondContact O-CG 3.29Å; V318-K322 PolarHBondContact O-N 2.94Å; K322-A326 VanDerWaalsContact O-CB 3.25Å; K322-A326 WeakPolarHBondContact O-CB 3.43Å; K322-A326 PolarHBondContact O-N 3.23Å |
| 323 | R | 71.3 | Confident | 69.1 | Low | 68 Ų | 68 | 87.6 Ų | 87.6 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 176 | -149.9 | -174.2 | 97.6 | -176 | 1.7 | 111.2 | R70 S73 Y319 A320 D321 D325 A326 Q327 | R70-R323 PolarHBondContact O-NH1 3.08Å; S73-R323 WeakPolarHBondContact OG-CA 3.25Å; S73-R323 WeakPolarHBondContact OG-CB 3.48Å; S73-R323 WeakPolarHBondContact OG-CG 3.49Å; Y319-R323 WeakPolarHBondContact O-CB 3.46Å; Y319-R323 PolarHBondContact O-N 2.94Å; A320-R323 VanDerWaalsContact O-CB 3.28Å; A320-R323 WeakPolarHBondContact O-CB 3.31Å; A320-R323 PolarHBondContact O-N 3.45Å; A320-R323 VanDerWaalsContact O-N 3.16Å; D321-R323 PolarHBondContact O-N 2.96Å; D321-R323 VanDerWaalsContact O-N 3.12Å; R323-D325 VanDerWaalsContact C-N 3.31Å; R323-A326 CarbonylContact O-C 3.58Å; R323-A326 PolarHBondContact O-N 3.48Å; R323-Q327 WeakPolarHBondContact O-CA 3.49Å; R323-Q327 WeakPolarHBondContact O-CB 3.32Å; R323-Q327 PolarHBondContact O-N 3.22Å |
| 324 | L | 70.6 | Confident | 68.1 | Low | 119 Ų | 119 | 93 Ų | 93 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 179.2 | -68.2 | 170 | 0 | 0 | 0 | 110.8 | A320 D321 Q327 | A320-L324 WeakPolarHBondContact O-CG 3.39Å; A320-L324 PolarHBondContact O-N 2.85Å; D321-L324 WeakPolarHBondContact O-CB 3.16Å; D321-L324 PolarHBondContact O-N 3.07Å; L324-Q327 PolarHBondContact O-N 3.05Å |
| 325 | D | 69.8 | Low | 67.8 | Low | 129 Ų | 129 | 96.1 Ų | 96.1 | 69% | 0.69 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 173.2 | -67.6 | -26 | 0 | 0 | 0 | 112 | D321 R323 | D321-D325 PolarHBondContact O-N 3.3Å; R323-D325 VanDerWaalsContact C-N 3.31Å |
| 326 | A | 63 | Low | 67.6 | Low | 57 Ų | 57 | 96.8 Ų | 96.8 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.4 | -26.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K322 R323 G328 R329 | K322-A326 VanDerWaalsContact O-CB 3.25Å; K322-A326 WeakPolarHBondContact O-CB 3.43Å; K322-A326 PolarHBondContact O-N 3.23Å; R323-A326 CarbonylContact O-C 3.58Å; R323-A326 PolarHBondContact O-N 3.48Å; A326-G328 PolarHBondContact O-N 3.48Å; A326-R329 WeakPolarHBondContact O-CA 3.31Å; A326-R329 PolarHBondContact O-N 3.07Å; A326-R329 VanDerWaalsContact O-O 3.08Å |
| 327 | Q | 56.1 | Low | 67.6 | Low | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.3 | -2.7 | -174.9 | -169.2 | 145.6 | 1.2 | 0 | 0 | 113.3 | R323 L324 R329 | R323-Q327 WeakPolarHBondContact O-CA 3.49Å; R323-Q327 WeakPolarHBondContact O-CB 3.32Å; R323-Q327 PolarHBondContact O-N 3.22Å; L324-Q327 PolarHBondContact O-N 3.05Å; Q327-R329 PolarHBondContact O-N 3.42Å |
| 328 | G | 54.6 | Low | 67.3 | Low | 75 Ų | 75 | 94.4 Ų | 94.4 | 77% | 0.773 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A326 | A326-G328 PolarHBondContact O-N 3.48Š|
| 329 | R | 50.5 | Low | 67.1 | Low | 218 Ų | 218 | 91 Ų | 91 | 82% | 0.823 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -122.2 | 113.8 | 171.4 | -66.5 | -180 | 175.9 | -178.8 | -1.6 | 108.5 | A326 Q327 A331 | A326-R329 WeakPolarHBondContact O-CA 3.31Å; A326-R329 PolarHBondContact O-N 3.07Å; A326-R329 VanDerWaalsContact O-O 3.08Å; Q327-R329 PolarHBondContact O-N 3.42Å; R329-A331 PolarHBondContact O-N 2.85Å |
| 330 | C | 43.7 | Very low | 67.2 | Low | 138 Ų | 138 | 93.4 Ų | 93.4 | 93% | 0.932 | 53% | 0.533 | S | S | * | . | trans | -51.8 | 105 | -176 | -74.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 331 | A | 52.3 | Low | 67.3 | Low | 85 Ų | 85 | 100.3 Ų | 100.3 | 70% | 0.702 | 56% | 0.559 | S | S | * | * | trans | -102.8 | 127.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | R329 | R329-A331 PolarHBondContact O-N 2.85Š| ||
| 332 | P | 53.7 | Low | 67.1 | Low | 119 Ų | 119 | 99.6 Ų | 99.6 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | trans | -66.1 | 140.6 | 176.8 | 26.7 | -31.5 | 0 | 0 | 0 | 110 | K334 | P332-K334 PolarHBondContact O-N 3.48Š| ||
| 333 | M | 54 | Low | 67 | Low | 178 Ų | 178 | 96.1 Ų | 96.1 | 88% | 0.877 | 54% | 0.537 | S | S | * | . | trans | -63.3 | 101.8 | 173.5 | -75.2 | 179.9 | 68.7 | 0 | 0 | 109.4 | ||||
| 334 | K | 62.5 | Low | 67.4 | Low | 127 Ų | 127 | 96.2 Ų | 96.2 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | trans | -58.7 | 139.5 | 162.5 | -82.7 | -175.4 | 172.1 | -174.8 | 0 | 108.5 | P332 I336 E342 | P332-K334 PolarHBondContact O-N 3.48Å; K334-I336 PolarHBondContact O-N 2.91Å; K334-E342 IonicContact NZ-OE1 3.04Å; K334-E342 IonicContact NZ-OE2 3.36Å; K334-E342 PolarHBondContact NZ-OE2 2.96Å | ||
| 335 | S | 75.3 | Confident | 67.7 | Low | 71 Ų | 71 | 92.5 Ų | 92.5 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | trans | -58.5 | 134.4 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | S337 S338 S339 | S335-S337 PolarHBondContact O-N 3.36Å; S335-S337 VanDerWaalsContact O-N 3.14Å; S335-S337 PolarHBondContact OG-OG 3.2Å; S335-S338 WeakPolarHBondContact O-CA 3.45Å; S335-S338 VanDerWaalsContact O-CB 3.27Å; S335-S338 WeakPolarHBondContact O-CB 3.13Å; S335-S338 PolarHBondContact O-N 3.02Å; S335-S339 PolarHBondContact O-N 3.33Å; S335-S339 VanDerWaalsContact O-N 3.09Å | ||
| 336 | I | 79.3 | Confident | 68 | Low | 65 Ų | 65 | 90.7 Ų | 90.7 | 33% | 0.333 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -54.8 | -35.4 | -179.8 | -63 | 175.4 | 0 | 0 | 0 | 111.3 | Y66 L69 K334 S338 S339 L340 | Y66-I336 HydrophobicContact CD2-CD1 4.29Å; Y66-I336 HydrophobicContact CE2-CD1 3.64Å; L69-I336 HydrophobicContact CB-CG2 4.06Å; L69-I336 HydrophobicContact CD1-CG2 3.93Å; K334-I336 PolarHBondContact O-N 2.91Å; I336-S338 VanDerWaalsContact C-N 3.35Å; I336-S339 PolarHBondContact O-N 3.01Å; I336-L340 WeakPolarHBondContact O-CB 3.34Å; I336-L340 PolarHBondContact O-N 3.13Å |
| 337 | S | 79.9 | Confident | 68.6 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 58% | 0.58 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.9 | -35.2 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | S335 K341 | S335-S337 PolarHBondContact O-N 3.36Å; S335-S337 VanDerWaalsContact O-N 3.14Å; S335-S337 PolarHBondContact OG-OG 3.2Å; S337-K341 WeakPolarHBondContact O-CB 3.36Å; S337-K341 PolarHBondContact O-N 2.94Å |
| 338 | S | 77.6 | Confident | 69.5 | Low | 57 Ų | 57 | 90 Ų | 90 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 174.2 | -169.8 | 0 | 0 | 0 | 0 | 110.5 | S335 I336 L340 K341 E342 | S335-S338 WeakPolarHBondContact O-CA 3.45Å; S335-S338 VanDerWaalsContact O-CB 3.27Å; S335-S338 WeakPolarHBondContact O-CB 3.13Å; S335-S338 PolarHBondContact O-N 3.02Å; I336-S338 VanDerWaalsContact C-N 3.35Å; S338-L340 VanDerWaalsContact C-N 3.3Å; S338-L340 PolarHBondContact O-N 3.42Å; S338-K341 PolarHBondContact O-N 3.33Å; S338-E342 VanDerWaalsContact O-CB 3.3Å; S338-E342 WeakPolarHBondContact O-CB 3.34Å; S338-E342 PolarHBondContact O-N 3.42Å |
| 339 | S | 78.3 | Confident | 70.6 | Confident | 4 Ų | 4 | 87.7 Ų | 87.7 | 3% | 0.028 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 112 | S335 I336 T343 | S335-S339 PolarHBondContact O-N 3.33Å; S335-S339 VanDerWaalsContact O-N 3.09Å; I336-S339 PolarHBondContact O-N 3.01Å; S339-T343 WeakPolarHBondContact O-CB 3.39Å; S339-T343 PolarHBondContact O-N 2.97Å; S339-T343 PolarHBondContact O-OG1 3.06Å |
| 340 | L | 81.1 | Confident | 72 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 31% | 0.314 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 175 | -179.3 | 62.8 | 0 | 0 | 0 | 111.8 | L69 F86 I336 S338 T343 M344 | L69-L340 HydrophobicContact CD1-CB 4.11Å; L69-L340 HydrophobicContact CD1-CD1 4.17Å; F86-L340 HydrophobicContact CE2-CD1 3.92Å; F86-L340 HydrophobicContact CZ-CD1 3.85Å; I336-L340 WeakPolarHBondContact O-CB 3.34Å; I336-L340 PolarHBondContact O-N 3.13Å; S338-L340 VanDerWaalsContact C-N 3.3Å; S338-L340 PolarHBondContact O-N 3.42Å; L340-T343 PolarHBondContact O-N 2.98Å; L340-M344 HydrophobicContact CD1-CG 3.94Å; L340-M344 HydrophobicContact CG-CG 4.43Å; L340-M344 WeakPolarHBondContact O-CB 3.29Å; L340-M344 WeakPolarHBondContact O-CG 3.36Å; L340-M344 PolarHBondContact O-N 3.43Å |
| 341 | K | 82.8 | Confident | 73.6 | Confident | 170 Ų | 170 | 80.2 Ų | 80.2 | 74% | 0.739 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 177.7 | -177.7 | -178.5 | 177.5 | -175.2 | 0 | 111.6 | S337 S338 T343 M344 S345 | S337-K341 WeakPolarHBondContact O-CB 3.36Å; S337-K341 PolarHBondContact O-N 2.94Å; S338-K341 PolarHBondContact O-N 3.33Å; K341-T343 VanDerWaalsContact C-N 3.32Å; K341-M344 PolarHBondContact O-N 2.87Å; K341-S345 PolarHBondContact O-N 3.47Å |
| 342 | E | 76.6 | Confident | 74.7 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 40% | 0.397 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 176 | -167.7 | 171.4 | 177.1 | 0 | 0 | 109.9 | K334 S338 M344 S345 | K334-E342 IonicContact NZ-OE1 3.04Å; K334-E342 IonicContact NZ-OE2 3.36Å; K334-E342 PolarHBondContact NZ-OE2 2.96Å; S338-E342 VanDerWaalsContact O-CB 3.3Å; S338-E342 WeakPolarHBondContact O-CB 3.34Å; S338-E342 PolarHBondContact O-N 3.42Å; E342-M344 PolarHBondContact O-N 3.19Å; E342-S345 PolarHBondContact O-N 3.15Å; E342-S345 PolarHBondContact O-OG 3.43Å |
| 343 | T | 74.8 | Confident | 75.8 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | Y72 R79 V82 R83 S339 L340 K341 | Y72-T343 PolarHBondContact OH-OG1 3.25Å; R79-T343 HydrophobicContact CB-CG2 4.02Å; R79-T343 WeakPolarHBondContact O-CG2 3.36Å; V82-T343 HydrophobicContact CB-CG2 3.7Å; V82-T343 HydrophobicContact CG1-CG2 3.68Å; R83-T343 VanDerWaalsContact CZ-O 3.23Å; R83-T343 PolarHBondContact NE-O 3.39Å; R83-T343 PolarHBondContact NH2-O 3.42Å; S339-T343 WeakPolarHBondContact O-CB 3.39Å; S339-T343 PolarHBondContact O-N 2.97Å; S339-T343 PolarHBondContact O-OG1 3.06Å; L340-T343 PolarHBondContact O-N 2.98Å; K341-T343 VanDerWaalsContact C-N 3.32Å |
| 344 | M | 78.2 | Confident | 77 | Confident | 71 Ų | 71 | 69.7 Ų | 69.7 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -88.2 | 0.3 | -178 | -70.5 | -67.3 | 103.1 | 0 | 0 | 114.4 | V82 R83 F86 L340 K341 E342 | V82-M344 HydrophobicContact CG1-CE 4.08Å; R83-M344 HydrophobicContact CB-CE 4.2Å; R83-M344 HydrophobicContact CG-CE 3.37Å; F86-M344 HydrophobicContact CD2-CE 3.5Å; F86-M344 VanDerWaalsContact CD2-CE 3.5Å; F86-M344 HydrophobicContact CD2-SD 3.72Å; F86-M344 HydrophobicContact CE2-CE 3.52Å; F86-M344 HydrophobicContact CE2-CG 4.38Å; F86-M344 HydrophobicContact CE2-SD 3.65Å; F86-M344 HydrophobicContact CZ-SD 4.45Å; L340-M344 HydrophobicContact CD1-CG 3.94Å; L340-M344 HydrophobicContact CG-CG 4.43Å; L340-M344 WeakPolarHBondContact O-CB 3.29Å; L340-M344 WeakPolarHBondContact O-CG 3.36Å; L340-M344 PolarHBondContact O-N 3.43Å; K341-M344 PolarHBondContact O-N 2.87Å; E342-M344 PolarHBondContact O-N 3.19Å |
| 345 | S | 77.8 | Confident | 77.6 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | trans | -67 | 127.9 | -178.6 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | R83 K341 E342 H347 | R83-S345 PolarHBondContact NH2-O 3.38Å; K341-S345 PolarHBondContact O-N 3.47Å; E342-S345 PolarHBondContact O-N 3.15Å; E342-S345 PolarHBondContact O-OG 3.43Å; S345-H347 PolarHBondContact O-N 2.94Å | ||
| 346 | P | 75.3 | Confident | 77.4 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 59% | 0.591 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.3 | 179.6 | 31.6 | -35.8 | 0 | 0 | 0 | 113.3 | D348 I349 V350 | P346-D348 PolarHBondContact O-N 3.08Å; P346-I349 PolarHBondContact O-N 3.02Å; P346-V350 PolarHBondContact O-N 3.4Å |
| 347 | H | 75.7 | Confident | 77.3 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 57% | 0.569 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -54.8 | -40 | -175.5 | -174 | -84.8 | 0 | 0 | 0 | 112.3 | S345 I349 V350 Q351 | S345-H347 PolarHBondContact O-N 2.94Å; H347-I349 VanDerWaalsContact C-N 3.3Å; H347-I349 PolarHBondContact O-N 2.89Å; H347-V350 PolarHBondContact O-N 3.16Å; H347-Q351 PolarHBondContact CE1-OE1 3.17Å; H347-Q351 PolarHBondContact ND1-OE1 3.27Å; H347-Q351 WeakPolarHBondContact O-CB 3.43Å; H347-Q351 PolarHBondContact O-N 3.07Å |
| 348 | D | 75.6 | Confident | 76.9 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 16% | 0.16 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56 | -44.6 | 177.4 | -60.1 | -29.8 | 0 | 0 | 0 | 112.2 | R79 R83 P346 V350 Q351 D352 | R79-D348 IonicContact CZ-OD2 2.87Å; R79-D348 VanDerWaalsContact NH1-CG 3.27Å; R79-D348 IonicContact NH1-OD1 3.12Å; R79-D348 PolarHBondContact NH1-OD1 3.44Å; R79-D348 IonicContact NH1-OD2 3.97Å; R79-D348 PolarHBondContact NH1-OD2 3.32Å; R83-D348 IonicContact CZ-OD2 2.93Å; R83-D348 IonicContact NH1-OD2 2.7Å; R83-D348 IonicContact NH2-OD2 3.43Å; R83-D348 PolarHBondContact NH2-OD2 3.35Å; P346-D348 PolarHBondContact O-N 3.08Å; D348-V350 VanDerWaalsContact C-N 3.35Å; D348-Q351 PolarHBondContact O-N 3.42Å; D348-D352 WeakPolarHBondContact O-CB 3.45Å; D348-D352 PolarHBondContact O-N 3.01Å |
| 349 | I | 78.7 | Confident | 75.9 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | -176.8 | -49.7 | -173.2 | 0 | 0 | 0 | 110.1 | L121 Y124 L178 P346 H347 D352 A353 | L121-I349 HydrophobicContact CD2-CD1 3.67Å; Y124-I349 HydrophobicContact CD1-CD1 4.11Å; Y124-I349 HydrophobicContact CD1-CG1 4.14Å; Y124-I349 HydrophobicContact CD1-CG2 4.32Å; Y124-I349 HydrophobicContact CE1-CB 4.22Å; Y124-I349 HydrophobicContact CE1-CD1 4.14Å; Y124-I349 HydrophobicContact CE1-CG1 3.66Å; Y124-I349 HydrophobicContact CE1-CG2 4.06Å; L178-I349 HydrophobicContact CD2-CG2 4.32Å; P346-I349 PolarHBondContact O-N 3.02Å; H347-I349 VanDerWaalsContact C-N 3.3Å; H347-I349 PolarHBondContact O-N 2.89Å; I349-D352 PolarHBondContact O-N 2.9Å; I349-A353 WeakPolarHBondContact O-CB 3.22Å; I349-A353 PolarHBondContact O-N 3.03Å |
| 350 | V | 78.8 | Confident | 74.7 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | P346 H347 D348 A353 I354 | P346-V350 PolarHBondContact O-N 3.4Å; H347-V350 PolarHBondContact O-N 3.16Å; D348-V350 VanDerWaalsContact C-N 3.35Å; V350-A353 PolarHBondContact O-N 2.95Å; V350-I354 HydrophobicContact CG1-CD1 3.91Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.25Å; V350-I354 PolarHBondContact O-N 3.07Å |
| 351 | Q | 78.2 | Confident | 73.4 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.5 | -173.4 | 171.9 | -7.4 | 0 | 0 | 111.5 | H347 D348 I354 H355 | H347-Q351 PolarHBondContact CE1-OE1 3.17Å; H347-Q351 PolarHBondContact ND1-OE1 3.27Å; H347-Q351 WeakPolarHBondContact O-CB 3.43Å; H347-Q351 PolarHBondContact O-N 3.07Å; D348-Q351 PolarHBondContact O-N 3.42Å; Q351-I354 PolarHBondContact O-N 3.4Å; Q351-H355 WeakPolarHBondContact O-CB 3.27Å; Q351-H355 PolarHBondContact O-N 2.81Å |
| 352 | D | 74.9 | Confident | 72 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 174.5 | -92.4 | -40.3 | 0 | 0 | 0 | 112.4 | Y124 K174 D348 I349 H355 N356 | Y124-D352 WeakPolarHBondContact OH-CB 3.48Å; Y124-D352 VanDerWaalsContact OH-CG 3.31Å; Y124-D352 PolarHBondContact OH-OD2 3.37Å; K174-D352 WeakPolarHBondContact CE-OD1 3.42Å; K174-D352 IonicContact NZ-OD1 4Å; K174-D352 PolarHBondContact NZ-OD1 3.3Å; K174-D352 IonicContact NZ-OD2 3.51Å; D348-D352 WeakPolarHBondContact O-CB 3.45Å; D348-D352 PolarHBondContact O-N 3.01Å; I349-D352 PolarHBondContact O-N 2.9Å; D352-H355 PolarHBondContact O-N 2.98Å; D352-N356 WeakPolarHBondContact O-CB 3.4Å; D352-N356 PolarHBondContact O-N 3.33Å; D352-N356 PolarHBondContact O-ND2 3.13Å |
| 353 | A | 75.9 | Confident | 70.7 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -48 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | L178 I349 V350 H355 N356 F357 | L178-A353 HydrophobicContact CD2-CB 4.25Å; I349-A353 WeakPolarHBondContact O-CB 3.22Å; I349-A353 PolarHBondContact O-N 3.03Å; V350-A353 PolarHBondContact O-N 2.95Å; A353-H355 VanDerWaalsContact C-N 3.33Å; A353-H355 PolarHBondContact O-N 3.3Å; A353-N356 PolarHBondContact O-N 3.49Å; A353-F357 WeakPolarHBondContact O-CB 3.37Å; A353-F357 VanDerWaalsContact O-CD2 3.27Å; A353-F357 WeakPolarHBondContact O-CD2 3.47Å; A353-F357 PolarHBondContact O-N 3.36Å |
| 354 | I | 79.5 | Confident | 69.5 | Low | 107 Ų | 107 | 76.7 Ų | 76.7 | 55% | 0.549 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 177 | -67.1 | 165.7 | 0 | 0 | 0 | 110 | V350 Q351 N356 S358 | V350-I354 HydrophobicContact CG1-CD1 3.91Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.25Å; V350-I354 PolarHBondContact O-N 3.07Å; Q351-I354 PolarHBondContact O-N 3.4Å; I354-N356 PolarHBondContact O-N 3.06Å; I354-S358 WeakPolarHBondContact O-CA 3.24Å; I354-S358 WeakPolarHBondContact O-CB 3.19Å; I354-S358 PolarHBondContact O-N 3.41Å |
| 355 | H | 76 | Confident | 68.1 | Low | 74 Ų | 74 | 75.5 Ų | 75.5 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | -180 | 178.8 | -101.2 | 0 | 0 | 0 | 112.9 | Q351 D352 A353 Y361 | Q351-H355 WeakPolarHBondContact O-CB 3.27Å; Q351-H355 PolarHBondContact O-N 2.81Å; D352-H355 PolarHBondContact O-N 2.98Å; A353-H355 VanDerWaalsContact C-N 3.33Å; A353-H355 PolarHBondContact O-N 3.3Å; H355-Y361 AromaticContact CE1-CE2 3.96Å; H355-Y361 AromaticContact NE2-CD2 3.58Å; H355-Y361 AromaticContact NE2-CE2 3.58Å |
| 356 | N | 70.2 | Confident | 66.7 | Low | 7 Ų | 7 | 79.4 Ų | 79.4 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -81.5 | -22.5 | -176.2 | -73.4 | -66.5 | 0 | 0 | 0 | 114.4 | K174 Q175 L178 D352 A353 I354 | K174-N356 VanDerWaalsContact CD-ND2 3.3Å; K174-N356 WeakPolarHBondContact CD-ND2 3.43Å; K174-N356 WeakPolarHBondContact CE-ND2 3.47Å; Q175-N356 HydrophobicContact CG-CB 4.25Å; Q175-N356 PolarHBondContact NE2-O 3.12Å; L178-N356 HydrophobicContact CD1-CB 4.01Å; D352-N356 WeakPolarHBondContact O-CB 3.4Å; D352-N356 PolarHBondContact O-N 3.33Å; D352-N356 PolarHBondContact O-ND2 3.13Å; A353-N356 PolarHBondContact O-N 3.49Å; I354-N356 PolarHBondContact O-N 3.06Å |
| 357 | F | 76.6 | Confident | 65.1 | Low | 112 Ų | 112 | 81.9 Ų | 81.9 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -105.5 | -8.2 | 177.1 | -68 | -72.5 | 0 | 0 | 0 | 113.7 | Q175 L178 A353 | Q175-F357 HydrophobicContact CB-CE1 4.44Å; Q175-F357 HydrophobicContact CB-CZ 4.31Å; Q175-F357 HydrophobicContact CG-CE1 4.28Å; Q175-F357 HydrophobicContact CG-CZ 4.37Å; L178-F357 HydrophobicContact CB-CE2 3.84Å; L178-F357 HydrophobicContact CB-CZ 4.33Å; L178-F357 HydrophobicContact CD1-CE2 4.2Å; A353-F357 WeakPolarHBondContact O-CB 3.37Å; A353-F357 VanDerWaalsContact O-CD2 3.27Å; A353-F357 WeakPolarHBondContact O-CD2 3.47Å; A353-F357 PolarHBondContact O-N 3.36Å |
| 358 | S | 72.2 | Confident | 63.3 | Low | 47 Ų | 47 | 80.3 Ų | 80.3 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | trans | -69.5 | 131 | 178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | I354 A360 | I354-S358 WeakPolarHBondContact O-CA 3.24Å; I354-S358 WeakPolarHBondContact O-CB 3.19Å; I354-S358 PolarHBondContact O-N 3.41Å; S358-A360 PolarHBondContact O-N 3.24Å; S358-A360 WeakPolarHBondContact OG-CB 3.45Å; S358-A360 PolarHBondContact OG-N 2.92Å | ||
| 359 | P | 56.2 | Low | 61.6 | Low | 101 Ų | 101 | 84.7 Ų | 84.7 | 66% | 0.656 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.5 | 176.7 | 24.6 | -31.1 | 0 | 0 | 0 | 113.5 | Y361 Q362 | P359-Y361 PolarHBondContact O-N 2.76Å; P359-Q362 PolarHBondContact O-N 2.78Å |
| 360 | A | 54.5 | Low | 59.6 | Low | 53 Ų | 53 | 89.6 Ų | 89.6 | 44% | 0.438 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S358 Q362 Q363 | S358-A360 PolarHBondContact O-N 3.24Å; S358-A360 WeakPolarHBondContact OG-CB 3.45Å; S358-A360 PolarHBondContact OG-N 2.92Å; A360-Q362 VanDerWaalsContact C-N 3.32Å; A360-Q362 PolarHBondContact O-N 3.46Å; A360-Q363 PolarHBondContact O-N 3.49Å |
| 361 | Y | 52.8 | Low | 57.4 | Low | 55 Ų | 55 | 93.4 Ų | 93.4 | 22% | 0.216 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -72.5 | -24.2 | -179 | -161.7 | -78.8 | 0 | 0 | 0 | 113.4 | R171 H355 P359 Q363 Y364 T365 | R171-Y361 VanDerWaalsContact CZ-CZ 3.47Å; H355-Y361 AromaticContact CE1-CE2 3.96Å; H355-Y361 AromaticContact NE2-CD2 3.58Å; H355-Y361 AromaticContact NE2-CE2 3.58Å; P359-Y361 PolarHBondContact O-N 2.76Å; Y361-Q363 PolarHBondContact O-N 3.3Å; Y361-Y364 PolarHBondContact O-N 3.39Å; Y361-T365 WeakPolarHBondContact CD1-OG1 3.2Å; Y361-T365 HydrophobicContact CE1-CG2 4.28Å; Y361-T365 WeakPolarHBondContact CE1-OG1 3.44Å; Y361-T365 PolarHBondContact O-N 3.33Å; Y361-T365 PolarHBondContact O-OG1 3.47Å; Y361-T365 VanDerWaalsContact O-OG1 3.05Å |
| 362 | Q | 53.2 | Low | 55.4 | Low | 135 Ų | 135 | 93.5 Ų | 93.5 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -54.6 | -29.7 | 177.8 | -70.1 | -177.6 | -17.1 | 0 | 0 | 111.6 | P359 A360 Q366 | P359-Q362 PolarHBondContact O-N 2.78Å; A360-Q362 VanDerWaalsContact C-N 3.32Å; A360-Q362 PolarHBondContact O-N 3.46Å; Q362-Q366 WeakPolarHBondContact O-CB 3.45Å; Q362-Q366 VanDerWaalsContact O-CG 3.31Å; Q362-Q366 WeakPolarHBondContact O-CG 3.45Å; Q362-Q366 PolarHBondContact O-N 2.63Å |
| 363 | Q | 49.2 | Very low | 53.5 | Low | 127 Ų | 127 | 94.8 Ų | 94.8 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.8 | -38.4 | 176.9 | -66.4 | 174.9 | -28.4 | 0 | 0 | 113.2 | A360 Y361 H367 | A360-Q363 PolarHBondContact O-N 3.49Å; Y361-Q363 PolarHBondContact O-N 3.3Å; Q363-H367 PolarHBondContact O-CD2 2.92Å; Q363-H367 PolarHBondContact O-N 2.76Å; Q363-H367 VanDerWaalsContact O-N 3.09Å |
| 364 | Y | 51.1 | Low | 51.5 | Low | 157 Ų | 157 | 99.7 Ų | 99.7 | 62% | 0.616 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.9 | -46.2 | 176.1 | -84.8 | -83.7 | 0 | 0 | 0 | 112 | Y361 Q366 H367 S368 | Y361-Y364 PolarHBondContact O-N 3.39Å; Y364-Q366 VanDerWaalsContact C-N 3.32Å; Y364-Q366 PolarHBondContact O-N 2.66Å; Y364-H367 PolarHBondContact O-N 3.3Å; Y364-S368 PolarHBondContact O-N 3.12Å; Y364-S368 PolarHBondContact O-OG 3.23Å; Y364-S368 VanDerWaalsContact O-OG 3.05Å |
| 365 | T | 48.8 | Very low | 49.3 | Very low | 47 Ų | 47 | 99.4 Ų | 99.4 | 29% | 0.288 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.3 | -35.5 | 179.8 | -7.2 | 0 | 0 | 0 | 0 | 112.8 | I167 Y361 T369 | I167-T365 HydrophobicContact CG2-CG2 4.11Å; Y361-T365 WeakPolarHBondContact CD1-OG1 3.2Å; Y361-T365 HydrophobicContact CE1-CG2 4.28Å; Y361-T365 WeakPolarHBondContact CE1-OG1 3.44Å; Y361-T365 PolarHBondContact O-N 3.33Å; Y361-T365 PolarHBondContact O-OG1 3.47Å; Y361-T365 VanDerWaalsContact O-OG1 3.05Å; T365-T369 PolarHBondContact O-N 3.1Å; T365-T369 PolarHBondContact O-OG1 3.13Å |
| 366 | Q | 46.7 | Very low | 47.2 | Very low | 122 Ų | 122 | 107.5 Ų | 107.5 | 57% | 0.57 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.9 | -41.7 | 173.9 | -75.9 | 179.2 | -6.7 | 0 | 0 | 111.1 | Q362 Y364 S368 T369 L370 | Q362-Q366 WeakPolarHBondContact O-CB 3.45Å; Q362-Q366 VanDerWaalsContact O-CG 3.31Å; Q362-Q366 WeakPolarHBondContact O-CG 3.45Å; Q362-Q366 PolarHBondContact O-N 2.63Å; Y364-Q366 VanDerWaalsContact C-N 3.32Å; Y364-Q366 PolarHBondContact O-N 2.66Å; Q366-S368 PolarHBondContact O-N 3.31Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.37Å; Q366-T369 PolarHBondContact O-N 2.9Å; Q366-T369 PolarHBondContact O-OG1 3.47Å; Q366-T369 VanDerWaalsContact O-OG1 3.12Å; Q366-L370 WeakPolarHBondContact O-CB 3.28Å; Q366-L370 WeakPolarHBondContact O-CD1 3.37Å; Q366-L370 PolarHBondContact O-N 2.95Å |
| 367 | H | 42 | Very low | 45.5 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 175.2 | -94 | -80.1 | 0 | 0 | 0 | 113.3 | Q363 Y364 T369 L370 E371 | Q363-H367 PolarHBondContact O-CD2 2.92Å; Q363-H367 PolarHBondContact O-N 2.76Å; Q363-H367 VanDerWaalsContact O-N 3.09Å; Y364-H367 PolarHBondContact O-N 3.3Å; H367-T369 VanDerWaalsContact C-N 3.29Å; H367-T369 PolarHBondContact O-N 3.27Å; H367-L370 PolarHBondContact O-N 3.28Å; H367-L370 VanDerWaalsContact O-N 3.13Å; H367-E371 PolarHBondContact O-N 2.81Å |
| 368 | S | 37.8 | Very low | 43.2 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.2 | -20.2 | 177 | -47.5 | 0 | 0 | 0 | 0 | 114.1 | Y364 Q366 | Y364-S368 PolarHBondContact O-N 3.12Å; Y364-S368 PolarHBondContact O-OG 3.23Å; Y364-S368 VanDerWaalsContact O-OG 3.05Å; Q366-S368 PolarHBondContact O-N 3.31Å |
| 369 | T | 40.2 | Very low | 41.3 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87.2 | -10.5 | 171.3 | 26.9 | 0 | 0 | 0 | 0 | 113 | T365 Q366 H367 | T365-T369 PolarHBondContact O-N 3.1Å; T365-T369 PolarHBondContact O-OG1 3.13Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.37Å; Q366-T369 PolarHBondContact O-N 2.9Å; Q366-T369 PolarHBondContact O-OG1 3.47Å; Q366-T369 VanDerWaalsContact O-OG1 3.12Å; H367-T369 VanDerWaalsContact C-N 3.29Å; H367-T369 PolarHBondContact O-N 3.27Å |
| 370 | L | 37.4 | Very low | 40 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -102.4 | -3.5 | -179.2 | -92.9 | 147.4 | 0 | 0 | 0 | 114.3 | Q366 H367 P372 | Q366-L370 WeakPolarHBondContact O-CB 3.28Å; Q366-L370 WeakPolarHBondContact O-CD1 3.37Å; Q366-L370 PolarHBondContact O-N 2.95Å; H367-L370 PolarHBondContact O-N 3.28Å; H367-L370 VanDerWaalsContact O-N 3.13Å; L370-P372 WeakPolarHBondContact O-CD 3.38Å |
| 371 | E | 33.1 | Very low | 38.8 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 113.9 | 167.5 | -82.9 | -127.9 | 104 | 0 | 0 | 109.8 | H367 G373 | H367-E371 PolarHBondContact O-N 2.81Å; E371-G373 PolarHBondContact O-N 2.89Å | ||
| 372 | P | 35.4 | Very low | 37.6 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -69.5 | 122.5 | 173.4 | -6.2 | 23.6 | 0 | 0 | 0 | 107.6 | L370 | L370-P372 WeakPolarHBondContact O-CD 3.38Š| ||
| 373 | G | 34.6 | Very low | 36.5 | Very low | 57 Ų | 57 | 129.4 Ų | 129.4 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | trans | -53.2 | 155.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E371 A375 | E371-G373 PolarHBondContact O-N 2.89Å; G373-A375 PolarHBondContact O-N 3.42Å | ||
| 374 | P | 35.1 | Very low | 35.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | -57.6 | 113.6 | -171.5 | 22 | -31.2 | 0 | 0 | 0 | 110.6 | W376 | P374-W376 PolarHBondContact O-N 3.21Š| ||
| 375 | A | 33.1 | Very low | 34.5 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | trans | -66.7 | 115.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109.1 | G373 | G373-A375 PolarHBondContact O-N 3.42Š| ||
| 376 | W | 30.9 | Very low | 33.6 | Very low | 244 Ų | 244 | 135 Ų | 135 | 92% | 0.924 | 78% | 0.78 | S | S | * | * | trans | -58.1 | 135.3 | 169.6 | -76.1 | 88.7 | 0 | 0 | 0 | 110.5 | P374 G378 | P374-W376 PolarHBondContact O-N 3.21Å; W376-G378 PolarHBondContact O-N 3.33Å | ||
| 377 | R | 35 | Very low | 32.7 | Very low | 257 Ų | 257 | 138.2 Ų | 138.2 | 97% | 0.97 | 80% | 0.795 | S | S | * | * | trans | -52.6 | 123.3 | 173.5 | -84 | -178.3 | 176.5 | -129.8 | 1.2 | 111.1 | ||||
| 378 | G | 29 | Very low | 32.1 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -163.8 | 108 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | W376 | W376-G378 PolarHBondContact O-N 3.33Š| ||
| 379 | G | 31.1 | Very low | 31.7 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -76.6 | 151 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 380 | A | 28.7 | Very low | 31.2 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -178.3 | 144.9 | 132.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 381 | H | 30.1 | Very low | 31.3 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | trans | -43.4 | 152.5 | -178.6 | -71.9 | -97.8 | 0 | 0 | 0 | 118.6 | ||||
| 382 | G | 28 | Very low | 31.4 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | 166.9 | 85.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 383 | L | 29.2 | Very low | 31.4 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 95% | 0.953 | 83% | 0.828 | S | S | * | * | trans | 65.8 | 125.6 | 145 | -75.9 | 133.9 | 0 | 0 | 0 | 122.5 | ||||
| 384 | S | 30.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -66.2 | 141.7 | 171.8 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 385 | R | 27.3 | Very low | 31.6 | Very low | 242 Ų | 242 | 144 Ų | 144 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -154.2 | 113.7 | 144.3 | -138.6 | 172.3 | -176.3 | 169.1 | 0.6 | 111 | ||||
| 386 | S | 30 | Very low | 31.9 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 83% | 0.83 | S | S | * | * | trans | -68.8 | 138.8 | 169.5 | 40.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 387 | H | 28.6 | Very low | 32.1 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -155.6 | 133 | 141.4 | -98.1 | -74 | 0 | 0 | 0 | 109.7 | ||||
| 388 | S | 28.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -93.8 | 167.8 | -173.7 | 41.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 389 | L | 30.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 93.4 | 103.2 | 162.3 | -69.5 | 125.9 | 0 | 0 | 0 | 118.7 | ||||
| 390 | S | 29.1 | Very low | 32.8 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | -179.8 | 89.2 | 112.8 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 391 | G | 40.4 | Very low | 33.3 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -99 | 125.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 392 | A | 34.5 | Very low | 33.5 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -172.4 | 7.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 393 | R | 35.2 | Very low | 34 | Very low | 230 Ų | 230 | 140.6 Ų | 140.6 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -129.7 | 1.6 | -171.1 | -131.1 | 176.3 | 179.2 | 175.1 | -0.5 | 117.5 | ||
| 394 | D | 39.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -98.8 | -14.8 | -174.5 | -71.2 | -33.3 | 0 | 0 | 0 | 114.9 | E396 K397 T398 | D394-E396 VanDerWaalsContact C-N 3.32Å; D394-E396 PolarHBondContact O-N 2.9Å; D394-K397 PolarHBondContact O-N 2.99Å; D394-T398 PolarHBondContact O-OG1 3.39Å |
| 395 | N | 36.1 | Very low | 35.1 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -18.6 | -176.1 | -93.1 | 12.7 | 0 | 0 | 0 | 115 | ||
| 396 | E | 37.9 | Very low | 35.6 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -20.3 | 178.2 | -111.3 | -179.8 | 121.6 | 0 | 0 | 113.1 | D394 | D394-E396 VanDerWaalsContact C-N 3.32Å; D394-E396 PolarHBondContact O-N 2.9Å |
| 397 | K | 36.5 | Very low | 35.8 | Very low | 156 Ų | 156 | 147 Ų | 147 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -21.2 | -176.7 | -70 | -175.4 | 178.4 | 178.5 | 0 | 113.7 | D394 L399 | D394-K397 PolarHBondContact O-N 2.99Å; K397-L399 VanDerWaalsContact C-N 3.32Å |
| 398 | T | 38.9 | Very low | 36.2 | Very low | 96 Ų | 96 | 145 Ų | 145 | 59% | 0.589 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -80 | -16.1 | 178.3 | -35.9 | 0 | 0 | 0 | 0 | 112.6 | D394 | D394-T398 PolarHBondContact O-OG1 3.39Š|
| 399 | L | 35.5 | Very low | 36.6 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -83.4 | -15.8 | -175.5 | -137.8 | 141.5 | 0 | 0 | 0 | 113.6 | K397 L401 | K397-L399 VanDerWaalsContact C-N 3.32Å; L399-L401 VanDerWaalsContact C-N 3.35Å |
| 400 | L | 35.4 | Very low | 36.9 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -86.6 | -2.1 | 175.1 | -73.9 | 170.5 | 0 | 0 | 0 | 113.9 | ||
| 401 | L | 38.1 | Very low | 37.4 | Very low | 141 Ų | 141 | 147.8 Ų | 147.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -102.4 | 10.3 | -176.2 | -91.5 | 156.9 | 0 | 0 | 0 | 114.1 | L399 | L399-L401 VanDerWaalsContact C-N 3.35Š|
| 402 | S | 35 | Very low | 37.2 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -120.4 | 9.4 | -177 | -165.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 403 | S | 38.2 | Very low | 37.4 | Very low | 98 Ų | 98 | 155.4 Ų | 155.4 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -109.8 | -1.2 | -173.5 | -57 | 0 | 0 | 0 | 0 | 115.7 | ||
| 404 | D | 40.4 | Very low | 37.6 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -99.3 | 5.5 | -178.5 | -75.6 | -20.4 | 0 | 0 | 0 | 114.3 | ||
| 405 | D | 41.9 | Very low | 37.4 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -115.4 | 68.1 | 171.3 | -78.9 | -43.7 | 0 | 0 | 0 | 110.2 | ||
| 406 | E | 37.2 | Very low | 37.5 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -167.7 | 123 | 150.2 | -109.3 | 173.9 | 164.1 | 0 | 0 | 111.6 | ||||
| 407 | F | 35.3 | Very low | 37.5 | Very low | 274 Ų | 274 | 150 Ų | 150 | 100% | 1.202 | 79% | 0.786 | S | S | * | * | trans | 98.4 | 0 | 174.5 | -65.2 | -79 | 0 | 0 | 0 | 119.5 |
Retrieved 407 of 407 residues in 387.1 ms
(Link to these results)