| 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 | 35.4 | Very low | 34.6 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 100% | 1.207 | 86% | 0.855 | S | S | * | * | 0 | 134.7 | 0 | -74.6 | -174.1 | -169.4 | 0 | 0 | 108.4 | |||||
| 2 | A | 37.1 | Very low | 34.7 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 79% | 0.793 | 85% | 0.852 | S | S | * | * | trans | 62.6 | 106.7 | 173 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3 | A | 32.2 | Very low | 34.7 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | 60.5 | 135.6 | 59.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 4 | A | 36.7 | Very low | 34.5 | Very low | 84 Ų | 84 | 149.5 Ų | 149.5 | 69% | 0.694 | 84% | 0.841 | S | S | * | * | cis | -165.6 | 138.1 | 17.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | V | 39.2 | Very low | 34.3 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 78% | 0.782 | 84% | 0.835 | S | S | * | * | 83.7 | 121.9 | 99.3 | -177.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 6 | R | 37 | Very low | 34.1 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | 152.8 | 100.7 | 133.2 | -81.7 | -170.9 | -178.1 | 128.4 | 0.2 | 109.1 | ||||
| 7 | C | 32.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | 43.2 | 122.1 | 75.2 | -71.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 8 | M | 33.2 | Very low | 34 | Very low | 193 Ų | 193 | 157.4 Ų | 157.4 | 95% | 0.951 | 84% | 0.835 | S | S | * | * | cis | -154.1 | 162.8 | 36.6 | -71.3 | -94.1 | -140.8 | 0 | 0 | 107.8 | ||||
| 9 | G | 31.8 | Very low | 34 | Very low | 73 Ų | 73 | 154.3 Ų | 154.3 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | cis | -163.6 | 163.8 | 20.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 10 | R | 33.1 | Very low | 34 | Very low | 251 Ų | 251 | 155.7 Ų | 155.7 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | trans | -81.2 | 147.2 | -179 | -68.4 | 169.7 | 167 | 174.8 | -5.2 | 111.1 | ||||
| 11 | A | 33 | Very low | 33.9 | Very low | 90 Ų | 90 | 153 Ų | 153 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | -166.4 | 106.4 | 126.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 12 | L | 35.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | trans | 55.2 | 104.3 | 140.7 | -53.2 | 173.2 | 0 | 0 | 0 | 118.3 | ||||
| 13 | I | 35 | Very low | 33.5 | Very low | 145 Ų | 145 | 154 Ų | 154 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | 48.8 | 104.7 | 75.8 | -51.8 | 175.3 | 0 | 0 | 0 | 113.2 | |||||
| 14 | H | 32 | Very low | 33.5 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | -156.1 | 136.2 | 120.5 | -122.4 | -83.4 | 0 | 0 | 0 | 113 | |||||
| 15 | H | 31.2 | Very low | 33.3 | Very low | 162 Ų | 162 | 160.8 Ų | 160.8 | 75% | 0.75 | 81% | 0.811 | S | S | * | * | trans | -38.5 | 140.3 | 166.9 | -86.6 | -63.8 | 0 | 0 | 0 | 114.7 | ||||
| 16 | Q | 31.2 | Very low | 32.9 | Very low | 173 Ų | 173 | 163.4 Ų | 163.4 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | -174.3 | 119.7 | 96 | -100.1 | -178.4 | -17.6 | 0 | 0 | 111 | |||||
| 17 | R | 33.5 | Very low | 32.6 | Very low | 229 Ų | 229 | 158.2 Ų | 158.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -65.2 | 143.2 | 146.1 | -77.2 | 177.5 | 170.1 | 175.5 | -3.6 | 107.4 | ||||
| 18 | H | 32.3 | Very low | 32.5 | Very low | 177 Ų | 177 | 157.4 Ų | 157.4 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | 147.8 | 135 | 156.9 | -77.1 | -53.3 | 0 | 0 | 0 | 103.8 | ||||
| 19 | S | 34.1 | Very low | 32.6 | Very low | 98 Ų | 98 | 155.2 Ų | 155.2 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | cis | -176 | 135.7 | 8.3 | 163.7 | 0 | 0 | 0 | 0 | 102.2 | S21 | S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 2.87Å | ||
| 20 | L | 34.4 | Very low | 32.4 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | -66.6 | 95.5 | 173.3 | -70.7 | 163.2 | 0 | 0 | 0 | 108.1 | ||||
| 21 | S | 32 | Very low | 32.3 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -78.8 | 122.6 | 166.8 | 56.7 | 0 | 0 | 0 | 0 | 108.5 | S19 M23 | S19-S21 VanDerWaalsContact C-N 3.32Å; S19-S21 PolarHBondContact O-N 2.87Å; S21-M23 PolarHBondContact O-N 3.16Å | ||
| 22 | K | 35.9 | Very low | 32.1 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -56 | 107.8 | 167.6 | -75.2 | 174.3 | 174.1 | 176.2 | 0 | 108.2 | V24 | K22-V24 PolarHBondContact O-N 3.04Å; K22-V24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | M | 29.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -66.7 | 112.2 | 165 | -91.4 | -170.3 | 72.4 | 0 | 0 | 108.4 | S21 Y25 | S21-M23 PolarHBondContact O-N 3.16Å; M23-Y25 PolarHBondContact O-N 3.24Å | ||
| 24 | V | 32 | Very low | 32 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 116.4 | 161.3 | 173.1 | 0 | 0 | 0 | 0 | 106.8 | K22 Q26 | K22-V24 PolarHBondContact O-N 3.04Å; K22-V24 VanDerWaalsContact O-N 3.16Å; V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.9Å | ||
| 25 | Y | 31.1 | Very low | 32.2 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | trans | -67 | 91.5 | 166.8 | -75.1 | -87.3 | 0 | 0 | 0 | 108.4 | M23 T27 | M23-Y25 PolarHBondContact O-N 3.24Å; Y25-T27 PolarHBondContact O-N 3.35Å; Y25-T27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | Q | 31.4 | Very low | 32.3 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -71.8 | 96.8 | 158.2 | -92.8 | -177.9 | -31.5 | 0 | 0 | 107.3 | V24 S28 | V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.9Å; Q26-S28 PolarHBondContact O-N 3.35Å; Q26-S28 VanDerWaalsContact O-N 3.13Å | ||
| 27 | T | 31.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -71.2 | 101.3 | 163.4 | 49.6 | 0 | 0 | 0 | 0 | 107.7 | Y25 V29 | Y25-T27 PolarHBondContact O-N 3.35Å; Y25-T27 VanDerWaalsContact O-N 3.16Å; T27-V29 PolarHBondContact O-N 3.38Å | ||
| 28 | S | 30.6 | Very low | 32.6 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -60.8 | 126.4 | 164.9 | 60.9 | 0 | 0 | 0 | 0 | 108.5 | Q26 C30 | Q26-S28 PolarHBondContact O-N 3.35Å; Q26-S28 VanDerWaalsContact O-N 3.13Å; S28-C30 VanDerWaalsContact C-N 3.25Å; S28-C30 PolarHBondContact O-N 3.21Å | ||
| 29 | V | 33.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -69.3 | 89.7 | 169.7 | -169 | 0 | 0 | 0 | 0 | 106.9 | T27 S31 | T27-V29 PolarHBondContact O-N 3.38Å; V29-S31 PolarHBondContact O-N 3.07Å | ||
| 30 | C | 29.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | -74.8 | 119.8 | 169.7 | -159.3 | 0 | 0 | 0 | 0 | 107 | S28 C32 | S28-C30 VanDerWaalsContact C-N 3.25Å; S28-C30 PolarHBondContact O-N 3.21Å; C30-C32 VanDerWaalsContact C-N 3.29Å; C30-C32 PolarHBondContact O-N 2.96Å | ||
| 31 | S | 30.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -67 | 92.5 | 166.5 | 54.8 | 0 | 0 | 0 | 0 | 108.2 | V29 S33 | V29-S31 PolarHBondContact O-N 3.07Å; S31-S33 PolarHBondContact O-N 3.23Å | ||
| 32 | C | 29.3 | Very low | 33 | Very low | 109 Ų | 109 | 142 Ų | 142 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -71.9 | 76.1 | 171.2 | -68.1 | 0 | 0 | 0 | 0 | 109.3 | C30 V34 | C30-C32 VanDerWaalsContact C-N 3.29Å; C30-C32 PolarHBondContact O-N 2.96Å; C32-V34 VanDerWaalsContact C-N 3.28Å; C32-V34 PolarHBondContact O-N 3.12Å; C32-V34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | S | 37.4 | Very low | 33 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 92 | 156.4 | 54.3 | 0 | 0 | 0 | 0 | 106.3 | S31 N35 | S31-S33 PolarHBondContact O-N 3.23Å; S33-N35 VanDerWaalsContact C-N 3.34Å; S33-N35 PolarHBondContact O-N 3.39Å | ||
| 34 | V | 29.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | -67.1 | 99 | 169.5 | -175.6 | 0 | 0 | 0 | 0 | 107 | C32 I36 | C32-V34 VanDerWaalsContact C-N 3.28Å; C32-V34 PolarHBondContact O-N 3.12Å; C32-V34 VanDerWaalsContact O-N 3.12Å; V34-I36 VanDerWaalsContact C-N 3.29Å; V34-I36 HydrophobicContact CG1-CG1 3.88Å; V34-I36 PolarHBondContact O-N 3.42Å | ||
| 35 | N | 35.4 | Very low | 33.7 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -67.4 | 94.6 | 160.6 | -100 | -21.9 | 0 | 0 | 0 | 106.9 | S33 Q37 | S33-N35 VanDerWaalsContact C-N 3.34Å; S33-N35 PolarHBondContact O-N 3.39Å; N35-Q37 PolarHBondContact O-N 2.93Å | ||
| 36 | I | 34.1 | Very low | 33.9 | Very low | 141 Ų | 141 | 134 Ų | 134 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -68.2 | 91.9 | 164.4 | -60.2 | 175.1 | 0 | 0 | 0 | 105.8 | V34 V38 | V34-I36 VanDerWaalsContact C-N 3.29Å; V34-I36 HydrophobicContact CG1-CG1 3.88Å; V34-I36 PolarHBondContact O-N 3.42Å; I36-V38 PolarHBondContact O-N 3.47Å; I36-V38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | Q | 35.4 | Very low | 34 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | -64.1 | 110.3 | 159.4 | -88.4 | -179.2 | -18.7 | 0 | 0 | 106.7 | N35 P39 | N35-Q37 PolarHBondContact O-N 2.93Å; Q37-P39 WeakPolarHBondContact O-CD 3.27Å | ||
| 38 | V | 34.9 | Very low | 34.1 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -55.6 | 119.3 | 169.2 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | I36 N40 | I36-V38 PolarHBondContact O-N 3.47Å; I36-V38 VanDerWaalsContact O-N 3.15Å; V38-N40 PolarHBondContact O-N 2.9Å; V38-N40 VanDerWaalsContact O-N 3.08Å | ||
| 39 | P | 31.2 | Very low | 33.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 105.2 | 175.2 | 28.6 | -28.9 | 0 | 0 | 0 | 107.7 | Q37 R41 | Q37-P39 WeakPolarHBondContact O-CD 3.27Å; P39-R41 VanDerWaalsContact C-N 3.29Å; P39-R41 PolarHBondContact O-N 3.37Å | ||
| 40 | N | 37.5 | Very low | 34 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -62.5 | 93.8 | 164.5 | -86.4 | -15.5 | 0 | 0 | 0 | 108.3 | V38 H42 | V38-N40 PolarHBondContact O-N 2.9Å; V38-N40 VanDerWaalsContact O-N 3.08Å; N40-H42 PolarHBondContact O-N 3.4Å; N40-H42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | R | 36.5 | Very low | 33.9 | Very low | 227 Ų | 227 | 138 Ų | 138 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -71.6 | 99.2 | 165.5 | -75.2 | -173.3 | 176.5 | -176.7 | 0.2 | 107.9 | P39 F43 | P39-R41 VanDerWaalsContact C-N 3.29Å; P39-R41 PolarHBondContact O-N 3.37Å; R41-F43 PolarHBondContact O-N 3.3Å | ||
| 42 | H | 36.8 | Very low | 33.8 | Very low | 165 Ų | 165 | 143 Ų | 143 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -70.4 | 117.2 | 165 | -67.5 | -70.1 | 0 | 0 | 0 | 108.5 | N40 A44 | N40-H42 PolarHBondContact O-N 3.4Å; N40-H42 VanDerWaalsContact O-N 3.1Å; H42-A44 PolarHBondContact O-N 3.13Å | ||
| 43 | F | 35.6 | Very low | 33.7 | Very low | 204 Ų | 204 | 144.6 Ų | 144.6 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -57.9 | 131.8 | 165.4 | -84.7 | -89 | 0 | 0 | 0 | 109.1 | R41 A45 | R41-F43 PolarHBondContact O-N 3.3Å; F43-A45 PolarHBondContact O-N 3.36Å | ||
| 44 | A | 35.9 | Very low | 33.4 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -66.4 | 113.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | H42 | H42-A44 PolarHBondContact O-N 3.13Š| ||
| 45 | A | 39.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -100 | 136 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F43 | F43-A45 PolarHBondContact O-N 3.36Š|
| 46 | A | 36.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 157.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 47 | A | 32.9 | Very low | 32.4 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 48 | K | 33.3 | Very low | 32.1 | Very low | 209 Ų | 209 | 149.9 Ų | 149.9 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | 46.7 | 130.2 | 144.1 | -63 | -174.5 | -179.9 | 177.6 | 0 | 121.1 | ||||
| 49 | S | 26.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | -147 | 148.7 | 110.4 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 50 | A | 35.3 | Very low | 32.3 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | -92.6 | 140.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 51 | K | 28.4 | Very low | 32 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -151.2 | 123 | 146.3 | -122.5 | 172.3 | -176.6 | 175.6 | 0 | 110.2 | ||||
| 52 | K | 28.7 | Very low | 32.3 | Very low | 211 Ų | 211 | 145 Ų | 145 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -64.9 | 129.4 | 176 | -81 | 173.6 | 171.8 | 173.3 | 0 | 110.5 | ||||
| 53 | T | 26.2 | Very low | 32.8 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -142.3 | 117.1 | 144.4 | 11.6 | 0 | 0 | 0 | 0 | 107.8 | N55 | T53-N55 PolarHBondContact O-N 2.92Š| ||
| 54 | K | 30.9 | Very low | 33.3 | Very low | 205 Ų | 205 | 136.1 Ų | 136.1 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -56.6 | 122.5 | 171.3 | -90.3 | 176 | 167.8 | 178.4 | 0 | 108.4 | ||||
| 55 | N | 23.8 | Very low | 33.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -139.5 | 129.9 | 149.2 | -95.3 | -20.5 | 0 | 0 | 0 | 108.6 | T53 A57 | T53-N55 PolarHBondContact O-N 2.92Å; N55-A57 PolarHBondContact O-N 3.22Å | ||
| 56 | V | 25.5 | Very low | 33.9 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | trans | -61.1 | 123.8 | -167.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | K58 | V56-K58 PolarHBondContact O-N 2.99Š| ||
| 57 | A | 29.4 | Very low | 34.7 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | trans | -65.3 | 113.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | N55 E59 | N55-A57 PolarHBondContact O-N 3.22Å; A57-E59 PolarHBondContact O-N 2.85Å | ||
| 58 | K | 28.5 | Very low | 35.5 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | -70.4 | 103.7 | 160.2 | -92.4 | -178.7 | 172.7 | -179.2 | 0 | 107 | V56 K60 | V56-K58 PolarHBondContact O-N 2.99Å; K58-K60 PolarHBondContact O-N 3.5Å | ||
| 59 | E | 35.9 | Very low | 36.4 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | trans | -54.5 | 115.6 | 155.9 | -84.7 | -179.2 | 132.7 | 0 | 0 | 107.8 | A57 T61 | A57-E59 PolarHBondContact O-N 2.85Å; E59-T61 PolarHBondContact O-N 3.28Å | ||
| 60 | K | 35.5 | Very low | 37.7 | Very low | 112 Ų | 112 | 130 Ų | 130 | 49% | 0.487 | 67% | 0.668 | S | S | . | * | trans | -60.9 | 126.8 | 168.5 | -69 | -164.5 | 173.3 | 179 | 0 | 108.6 | K58 E64 E68 | K58-K60 PolarHBondContact O-N 3.5Å; K60-E64 HydrophobicContact CB-CB 4.34Å; K60-E64 WeakPolarHBondContact CB-OE2 3.42Å; K60-E64 WeakPolarHBondContact CD-OE2 3.41Å; K60-E64 WeakPolarHBondContact CG-OE2 3.44Å; K60-E68 IonicContact NZ-OE1 2.6Å; K60-E68 PolarHBondContact NZ-OE1 3.29Å | ||
| 61 | T | 30.9 | Very low | 38.3 | Very low | 76 Ų | 76 | 133 Ų | 133 | 47% | 0.466 | 66% | 0.662 | S | S | . | * | trans | -60.6 | 156.5 | 179.7 | 43.9 | 0 | 0 | 0 | 0 | 111.3 | E59 D63 E64 | E59-T61 PolarHBondContact O-N 3.28Å; T61-D63 PolarHBondContact O-N 3.46Å; T61-D63 VanDerWaalsContact O-N 3.11Å; T61-E64 PolarHBondContact O-N 2.68Å; T61-E64 VanDerWaalsContact O-N 3.14Å | ||
| 62 | P | 42.3 | Very low | 39.4 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.8 | -22.1 | 179.4 | 21.8 | -32.9 | 0 | 0 | 0 | 113.9 | K66 | P62-K66 WeakPolarHBondContact O-CG 3.45Å; P62-K66 PolarHBondContact O-N 3.45Å |
| 63 | D | 48.2 | Very low | 40.6 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.3 | -38.8 | 175.8 | -70.3 | -29 | 0 | 0 | 0 | 112.6 | T61 K65 K66 D67 | T61-D63 PolarHBondContact O-N 3.46Å; T61-D63 VanDerWaalsContact O-N 3.11Å; D63-K65 VanDerWaalsContact C-N 3.25Å; D63-K65 PolarHBondContact O-N 2.75Å; D63-K66 WeakPolarHBondContact O-CB 3.41Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K66 IonicContact OD1-NZ 2.77Å; D63-K66 PolarHBondContact OD1-NZ 2.9Å; D63-D67 PolarHBondContact O-N 3.29Å |
| 64 | E | 45.8 | Very low | 41.8 | Very low | 88 Ų | 88 | 121.5 Ų | 121.5 | 41% | 0.411 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.9 | -31.2 | 176.1 | -73.2 | -177.9 | 170.2 | 0 | 0 | 112.5 | K60 T61 E68 | K60-E64 HydrophobicContact CB-CB 4.34Å; K60-E64 WeakPolarHBondContact CB-OE2 3.42Å; K60-E64 WeakPolarHBondContact CD-OE2 3.41Å; K60-E64 WeakPolarHBondContact CG-OE2 3.44Å; T61-E64 PolarHBondContact O-N 2.68Å; T61-E64 VanDerWaalsContact O-N 3.14Å; E64-E68 WeakPolarHBondContact O-CG 3.28Å; E64-E68 PolarHBondContact O-N 3.42Å; E64-E68 VanDerWaalsContact O-N 3.1Å |
| 65 | K | 42.9 | Very low | 43.1 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.3 | -33.3 | 174.1 | -70.8 | -178 | -178.7 | 174.3 | 0 | 112.5 | D63 I69 | D63-K65 VanDerWaalsContact C-N 3.25Å; D63-K65 PolarHBondContact O-N 2.75Å; K65-I69 WeakPolarHBondContact O-CD1 3.33Å; K65-I69 WeakPolarHBondContact O-CG1 3.48Å; K65-I69 PolarHBondContact O-N 3Å; K65-I69 VanDerWaalsContact O-N 3.15Å |
| 66 | K | 45.5 | Very low | 45.5 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.1 | -41.1 | 171.3 | -73.1 | 173.3 | -172.8 | 164.8 | 0 | 110.6 | P62 D63 E68 I69 E70 | P62-K66 WeakPolarHBondContact O-CG 3.45Å; P62-K66 PolarHBondContact O-N 3.45Å; D63-K66 WeakPolarHBondContact O-CB 3.41Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K66 IonicContact OD1-NZ 2.77Å; D63-K66 PolarHBondContact OD1-NZ 2.9Å; K66-E68 PolarHBondContact O-N 3.19Å; K66-I69 CarbonylContact O-C 3.58Å; K66-I69 PolarHBondContact O-N 3.43Å; K66-I69 VanDerWaalsContact O-N 3.17Å; K66-E70 WeakPolarHBondContact O-CB 3.43Å; K66-E70 WeakPolarHBondContact O-CG 3.5Å; K66-E70 PolarHBondContact O-N 3.1Å |
| 67 | D | 52.2 | Low | 48.2 | Very low | 78 Ų | 78 | 115.6 Ų | 115.6 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -37.9 | 178.4 | -64.4 | -24.1 | 0 | 0 | 0 | 112.5 | D63 E70 K71 | D63-D67 PolarHBondContact O-N 3.29Å; D67-E70 PolarHBondContact O-N 3.09Å; D67-K71 WeakPolarHBondContact O-CB 3.41Å; D67-K71 VanDerWaalsContact O-CG 3.27Å; D67-K71 WeakPolarHBondContact O-CG 3.16Å; D67-K71 PolarHBondContact O-N 2.9Å |
| 68 | E | 50 | Low | 50.7 | Low | 94 Ų | 94 | 116 Ų | 116 | 44% | 0.439 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.6 | -39.1 | 173.2 | -75.3 | 177.7 | -170.4 | 0 | 0 | 111.5 | K60 E64 K66 E70 K71 I72 | K60-E68 IonicContact NZ-OE1 2.6Å; K60-E68 PolarHBondContact NZ-OE1 3.29Å; E64-E68 WeakPolarHBondContact O-CG 3.28Å; E64-E68 PolarHBondContact O-N 3.42Å; E64-E68 VanDerWaalsContact O-N 3.1Å; K66-E68 PolarHBondContact O-N 3.19Å; E68-E70 VanDerWaalsContact C-N 3.35Å; E68-K71 PolarHBondContact O-N 3.39Å; E68-I72 WeakPolarHBondContact O-CD1 3.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.29Å; E68-I72 PolarHBondContact O-N 3.08Å |
| 69 | I | 52 | Low | 53 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -36.5 | 173.6 | -67 | 164.1 | 0 | 0 | 0 | 111.5 | K65 K66 I72 K73 | K65-I69 WeakPolarHBondContact O-CD1 3.33Å; K65-I69 WeakPolarHBondContact O-CG1 3.48Å; K65-I69 PolarHBondContact O-N 3Å; K65-I69 VanDerWaalsContact O-N 3.15Å; K66-I69 CarbonylContact O-C 3.58Å; K66-I69 PolarHBondContact O-N 3.43Å; K66-I69 VanDerWaalsContact O-N 3.17Å; I69-I72 PolarHBondContact O-N 3.33Å; I69-K73 WeakPolarHBondContact O-CG 3.41Å; I69-K73 PolarHBondContact O-N 2.95Å |
| 70 | E | 53.8 | Low | 55.1 | Low | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.7 | -35.8 | 176.3 | -73.8 | 179.9 | -171.7 | 0 | 0 | 112.2 | K66 D67 E68 I72 K73 | K66-E70 WeakPolarHBondContact O-CB 3.43Å; K66-E70 WeakPolarHBondContact O-CG 3.5Å; K66-E70 PolarHBondContact O-N 3.1Å; D67-E70 PolarHBondContact O-N 3.09Å; E68-E70 VanDerWaalsContact C-N 3.35Å; E70-I72 VanDerWaalsContact C-N 3.34Å; E70-K73 WeakPolarHBondContact O-CA 3.42Å; E70-K73 WeakPolarHBondContact O-CB 3.48Å; E70-K73 PolarHBondContact O-N 2.94Å |
| 71 | K | 48.7 | Very low | 57.2 | Low | 164 Ų | 164 | 112.7 Ų | 112.7 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.9 | -36.4 | 169.4 | -79.2 | 171.3 | -179.6 | 173.2 | 0 | 112.5 | D67 E68 K73 A74 | D67-K71 WeakPolarHBondContact O-CB 3.41Å; D67-K71 VanDerWaalsContact O-CG 3.27Å; D67-K71 WeakPolarHBondContact O-CG 3.16Å; D67-K71 PolarHBondContact O-N 2.9Å; E68-K71 PolarHBondContact O-N 3.39Å; K71-K73 PolarHBondContact O-N 2.9Å; K71-A74 PolarHBondContact O-N 3.28Å |
| 72 | I | 51.3 | Low | 59.8 | Low | 92 Ų | 92 | 110.4 Ų | 110.4 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -21.3 | 171.3 | -65.6 | 159.8 | 0 | 0 | 0 | 111 | E68 I69 E70 Y75 R90 | E68-I72 WeakPolarHBondContact O-CD1 3.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.29Å; E68-I72 PolarHBondContact O-N 3.08Å; I69-I72 PolarHBondContact O-N 3.33Å; E70-I72 VanDerWaalsContact C-N 3.34Å; I72-Y75 HydrophobicContact CG2-CE2 4.47Å; I72-Y75 WeakPolarHBondContact O-CD2 3.49Å; I72-Y75 VanDerWaalsContact O-CE2 3.28Å; I72-Y75 WeakPolarHBondContact O-CE2 3.39Å; I72-R90 PolarHBondContact O-NH2 3.28Å |
| 73 | K | 52.3 | Low | 61.7 | Low | 152 Ų | 152 | 115 Ų | 115 | 66% | 0.661 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.9 | -12.5 | 179.1 | -72.4 | 171 | -175 | 174.8 | 0 | 114.7 | I69 E70 K71 | I69-K73 WeakPolarHBondContact O-CG 3.41Å; I69-K73 PolarHBondContact O-N 2.95Å; E70-K73 WeakPolarHBondContact O-CA 3.42Å; E70-K73 WeakPolarHBondContact O-CB 3.48Å; E70-K73 PolarHBondContact O-N 2.94Å; K71-K73 PolarHBondContact O-N 2.9Å |
| 74 | A | 52.1 | Low | 63.4 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | trans | -118.6 | 70.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | K71 P76 | K71-A74 PolarHBondContact O-N 3.28Å; A74-P76 WeakPolarHBondContact O-CD 2.93Å | ||
| 75 | Y | 57.5 | Low | 65.1 | Low | 123 Ų | 123 | 120 Ų | 120 | 48% | 0.482 | 60% | 0.599 | S | S | . | * | trans | -72.1 | 113.4 | 158.3 | -71.5 | -89.8 | 0 | 0 | 0 | 106 | I72 Y77 R90 | I72-Y75 HydrophobicContact CG2-CE2 4.47Å; I72-Y75 WeakPolarHBondContact O-CD2 3.49Å; I72-Y75 VanDerWaalsContact O-CE2 3.28Å; I72-Y75 WeakPolarHBondContact O-CE2 3.39Å; Y75-Y77 PolarHBondContact O-N 3.27Å; Y75-R90 VanDerWaalsContact CD2-CZ 3.43Å; Y75-R90 VanDerWaalsContact CD2-NH2 3.33Å | ||
| 76 | P | 76.1 | Confident | 67.1 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 74% | 0.74 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137.5 | 168.7 | 24.8 | -31 | 0 | 0 | 0 | 107.7 | A74 M78 | A74-P76 WeakPolarHBondContact O-CD 2.93Å; P76-M78 PolarHBondContact O-N 3.39Å |
| 77 | Y | 81.3 | Confident | 69.1 | Low | 146 Ų | 146 | 118.7 Ų | 118.7 | 57% | 0.573 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.4 | 174.5 | -67.3 | -58 | 0 | 0 | 0 | 109 | Y75 L91 Y92 P93 | Y75-Y77 PolarHBondContact O-N 3.27Å; Y77-L91 CarbonylContact C-O 3.57Å; Y77-L91 VanDerWaalsContact CA-O 3.31Å; Y77-L91 WeakPolarHBondContact CA-O 3.42Å; Y77-Y92 WeakPolarHBondContact CE1-O 3.32Å; Y77-P93 HydrophobicContact CD2-CB 4.35Å; Y77-P93 HydrophobicContact CE2-CB 4.34Å; Y77-P93 HydrophobicContact CG-CB 4.49Å |
| 78 | M | 81.6 | Confident | 70.8 | Confident | 100 Ų | 100 | 121 Ų | 121 | 49% | 0.493 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 145.8 | 173.5 | -62.8 | -165.8 | 83.7 | 0 | 0 | 109.3 | P76 G80 L91 Y92 | P76-M78 PolarHBondContact O-N 3.39Å; M78-G80 PolarHBondContact O-N 3.13Å; M78-L91 HydrophobicContact CG-CB 4.13Å; M78-L91 PolarHBondContact N-O 2.99Å; M78-L91 HydrophobicContact SD-CB 4.24Å; M78-L91 HydrophobicContact SD-CD1 3.96Å; M78-Y92 HydrophobicContact CB-CE1 4.09Å |
| 79 | E | 77.1 | Confident | 72.4 | Confident | 202 Ų | 202 | 120 Ų | 120 | 94% | 0.944 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -73.4 | 119.4 | 176.9 | -65.7 | 177.5 | -178.3 | 0 | 0 | 108.9 | ||
| 80 | G | 79.3 | Confident | 74 | Confident | 55 Ų | 55 | 122.5 Ų | 122.5 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 110.2 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M78 Y92 | M78-G80 PolarHBondContact O-N 3.13Å; G80-Y92 WeakPolarHBondContact O-CD1 3.05Å |
| 81 | E | 81.3 | Confident | 75.6 | Confident | 172 Ų | 172 | 119.1 Ų | 119.1 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -80 | 151.9 | 170.5 | -69.3 | -173 | 172.6 | 0 | 0 | 110.1 | E83 | E81-E83 PolarHBondContact O-N 3.15Š| ||
| 82 | P | 84.9 | Confident | 77.4 | Confident | 28 Ų | 28 | 113.3 Ų | 113.3 | 18% | 0.182 | 57% | 0.571 | C | S | . | * | trans | -61.7 | 130.2 | 176.2 | 26.4 | -33.8 | 0 | 0 | 0 | 110.3 | D84 Y87 Y92 | P82-D84 VanDerWaalsContact C-N 3.31Å; P82-Y87 HydrophobicContact CB-CD1 3.47Å; P82-Y87 VanDerWaalsContact CB-CD1 3.47Å; P82-Y87 HydrophobicContact CB-CD2 3.98Å; P82-Y87 HydrophobicContact CB-CE1 4.06Å; P82-Y87 HydrophobicContact CB-CE2 4.5Å; P82-Y87 HydrophobicContact CB-CG 3.42Å; P82-Y87 VanDerWaalsContact CB-CG 3.42Å; P82-Y87 HydrophobicContact CG-CD1 3.52Å; P82-Y87 HydrophobicContact CG-CD2 4.1Å; P82-Y87 HydrophobicContact CG-CE1 3.56Å; P82-Y87 HydrophobicContact CG-CE2 4.11Å; P82-Y87 HydrophobicContact CG-CG 3.81Å; P82-Y92 HydrophobicContact CB-CD1 4.44Å; P82-Y92 HydrophobicContact CB-CD2 4.46Å; P82-Y92 HydrophobicContact CB-CE1 4.17Å; P82-Y92 HydrophobicContact CB-CE2 4.2Å | ||
| 83 | E | 82.4 | Confident | 79.1 | Confident | 191 Ų | 191 | 112.2 Ų | 112.2 | 89% | 0.893 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -68.3 | -33.9 | 179 | -63.5 | -179.7 | 175 | 0 | 0 | 111.7 | E81 | E81-E83 PolarHBondContact O-N 3.15Š|
| 84 | D | 83.6 | Confident | 80.8 | Confident | 118 Ų | 118 | 110.7 Ų | 110.7 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -105.4 | 153.3 | -177.9 | -71.5 | -33.6 | 0 | 0 | 0 | 112.5 | P82 V86 Y87 | P82-D84 VanDerWaalsContact C-N 3.31Å; D84-V86 PolarHBondContact O-N 3.08Å; D84-Y87 WeakPolarHBondContact O-CD1 3.39Å |
| 85 | D | 81.3 | Confident | 82.6 | Confident | 169 Ų | 169 | 111 Ų | 111 | 90% | 0.904 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -60.3 | -26.8 | 171 | -72.4 | -22.1 | 0 | 0 | 0 | 112.7 | ||
| 86 | V | 85.2 | Confident | 84.3 | Confident | 131 Ų | 131 | 110.4 Ų | 110.4 | 79% | 0.794 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -110.8 | 103.4 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | D84 | D84-V86 PolarHBondContact O-N 3.08Š|
| 87 | Y | 87.8 | Confident | 85.2 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | trans | -132.9 | 156.7 | -179.1 | 61.8 | -86.6 | 0 | 0 | 0 | 112.3 | P82 D84 K89 Y92 | P82-Y87 HydrophobicContact CB-CD1 3.47Å; P82-Y87 VanDerWaalsContact CB-CD1 3.47Å; P82-Y87 HydrophobicContact CB-CD2 3.98Å; P82-Y87 HydrophobicContact CB-CE1 4.06Å; P82-Y87 HydrophobicContact CB-CE2 4.5Å; P82-Y87 HydrophobicContact CB-CG 3.42Å; P82-Y87 VanDerWaalsContact CB-CG 3.42Å; P82-Y87 HydrophobicContact CG-CD1 3.52Å; P82-Y87 HydrophobicContact CG-CD2 4.1Å; P82-Y87 HydrophobicContact CG-CE1 3.56Å; P82-Y87 HydrophobicContact CG-CE2 4.11Å; P82-Y87 HydrophobicContact CG-CG 3.81Å; D84-Y87 WeakPolarHBondContact O-CD1 3.39Å; Y87-K89 PolarHBondContact O-N 2.97Å; Y87-K89 VanDerWaalsContact O-N 3.14Å; Y87-Y92 AromaticContact CD2-CD2 3.59Å; Y87-Y92 HydrophobicContact CD2-CD2 3.59Å; Y87-Y92 HydrophobicContact CD2-CE2 4.21Å; Y87-Y92 HydrophobicContact CD2-CG 4.16Å; Y87-Y92 HydrophobicContact CE2-CD2 4.33Å; Y87-Y92 HydrophobicContact CG-CD2 4.29Å; Y87-Y92 HydrophobicContact CG-CE2 4.49Å | ||
| 88 | L | 87.1 | Confident | 85.8 | Confident | 127 Ų | 127 | 103.4 Ų | 103.4 | 67% | 0.665 | 52% | 0.516 | S | S | * | . | trans | -75.1 | 106.7 | 176.4 | -66.2 | 177.8 | 0 | 0 | 0 | 110 | R90 L91 | L88-R90 PolarHBondContact O-N 3.2Å; L88-L91 HydrophobicContact CB-CD1 3.91Å; L88-L91 HydrophobicContact CB-CG 4.02Å; L88-L91 HydrophobicContact CD1-CD1 3.97Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 2.75Å | ||
| 89 | K | 84.1 | Confident | 86.4 | Confident | 74 Ų | 74 | 99.5 Ų | 99.5 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -23.8 | -179.3 | -169.2 | 165.3 | -173.3 | 165.3 | 0 | 115.9 | Y87 L91 R94 E301 | Y87-K89 PolarHBondContact O-N 2.97Å; Y87-K89 VanDerWaalsContact O-N 3.14Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-R94 VanDerWaalsContact NZ-CZ 3.27Å; K89-E301 IonicContact NZ-OE1 2.84Å; K89-E301 PolarHBondContact NZ-OE1 2.78Å; K89-E301 IonicContact NZ-OE2 2.81Å; K89-E301 PolarHBondContact NZ-OE2 3.07Å |
| 90 | R | 85.4 | Confident | 87.2 | Confident | 143 Ų | 143 | 96.7 Ų | 96.7 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26 | 177 | -175.3 | 179.4 | -178.4 | -179.1 | 5.7 | 112.9 | I72 Y75 L88 | I72-R90 PolarHBondContact O-NH2 3.28Å; Y75-R90 VanDerWaalsContact CD2-CZ 3.43Å; Y75-R90 VanDerWaalsContact CD2-NH2 3.33Å; L88-R90 PolarHBondContact O-N 3.2Å |
| 91 | L | 87.3 | Confident | 88 | Confident | 46 Ų | 46 | 100 Ų | 100 | 24% | 0.241 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -15.8 | -174.7 | -62.6 | -178.3 | 0 | 0 | 0 | 113.1 | Y77 M78 L88 K89 | Y77-L91 CarbonylContact C-O 3.57Å; Y77-L91 VanDerWaalsContact CA-O 3.31Å; Y77-L91 WeakPolarHBondContact CA-O 3.42Å; M78-L91 HydrophobicContact CG-CB 4.13Å; M78-L91 PolarHBondContact N-O 2.99Å; M78-L91 HydrophobicContact SD-CB 4.24Å; M78-L91 HydrophobicContact SD-CD1 3.96Å; L88-L91 HydrophobicContact CB-CD1 3.91Å; L88-L91 HydrophobicContact CB-CG 4.02Å; L88-L91 HydrophobicContact CD1-CD1 3.97Å; L88-L91 WeakPolarHBondContact O-CB 3.29Å; L88-L91 PolarHBondContact O-N 2.75Å; K89-L91 VanDerWaalsContact C-N 3.34Å |
| 92 | Y | 87.6 | Confident | 88.6 | Confident | 42 Ų | 42 | 91.8 Ų | 91.8 | 17% | 0.165 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -123.6 | 149.7 | -175.4 | -64.1 | -88 | 0 | 0 | 0 | 111.3 | Y77 M78 G80 P82 Y87 | Y77-Y92 WeakPolarHBondContact CE1-O 3.32Å; M78-Y92 HydrophobicContact CB-CE1 4.09Å; G80-Y92 WeakPolarHBondContact O-CD1 3.05Å; P82-Y92 HydrophobicContact CB-CD1 4.44Å; P82-Y92 HydrophobicContact CB-CD2 4.46Å; P82-Y92 HydrophobicContact CB-CE1 4.17Å; P82-Y92 HydrophobicContact CB-CE2 4.2Å; Y87-Y92 AromaticContact CD2-CD2 3.59Å; Y87-Y92 HydrophobicContact CD2-CD2 3.59Å; Y87-Y92 HydrophobicContact CD2-CE2 4.21Å; Y87-Y92 HydrophobicContact CD2-CG 4.16Å; Y87-Y92 HydrophobicContact CE2-CD2 4.33Å; Y87-Y92 HydrophobicContact CG-CD2 4.29Å; Y87-Y92 HydrophobicContact CG-CE2 4.49Å |
| 93 | P | 86.3 | Confident | 89.1 | Confident | 69 Ų | 69 | 90.6 Ų | 90.6 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 154.1 | 173.2 | 28.8 | -34.7 | 0 | 0 | 0 | 110.5 | Y77 Q95 | Y77-P93 HydrophobicContact CD2-CB 4.35Å; Y77-P93 HydrophobicContact CE2-CB 4.34Å; Y77-P93 HydrophobicContact CG-CB 4.49Å; P93-Q95 PolarHBondContact O-N 2.89Å |
| 94 | R | 87.4 | Confident | 89.7 | Confident | 120 Ų | 120 | 87.6 Ų | 87.6 | 45% | 0.453 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 127.2 | 173.6 | -72.7 | -71.4 | -168.1 | 134.2 | 0.5 | 109.4 | K89 G302 L304 | K89-R94 VanDerWaalsContact NZ-CZ 3.27Å; R94-G302 PolarHBondContact NH1-O 2.95Å; R94-G302 VanDerWaalsContact NH1-O 3.14Å; R94-L304 HydrophobicContact CB-CD2 4.21Å |
| 95 | Q | 89.4 | Confident | 90.2 | Very high | 79 Ų | 79 | 84 Ų | 84 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 140.5 | 170.9 | -68.2 | -176.6 | -1.1 | 0 | 0 | 110.3 | P93 Y97 | P93-Q95 PolarHBondContact O-N 2.89Å; Q95-Y97 HydrophobicContact CB-CE1 4.26Å; Q95-Y97 HydrophobicContact CB-CE2 3.88Å; Q95-Y97 PolarHBondContact OE1-OH 3.36Å |
| 96 | I | 93.4 | Very high | 90.9 | Very high | 111 Ų | 111 | 76 Ų | 76 | 57% | 0.569 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.5 | 177.8 | -56.4 | 171.5 | 0 | 0 | 0 | 107.5 | L304 K306 | I96-L304 HydrophobicContact CG1-CD2 3.84Å; I96-L304 HydrophobicContact CG1-CG 4.27Å; I96-K306 HydrophobicContact CG2-CB 3.86Å; I96-K306 HydrophobicContact CG2-CG 4.44Å |
| 97 | Y | 94.9 | Very high | 91.2 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.6 | -176.5 | -59.6 | -79.3 | 0 | 0 | 0 | 112 | Q95 L105 L303 L304 L305 K306 | Q95-Y97 HydrophobicContact CB-CE1 4.26Å; Q95-Y97 HydrophobicContact CB-CE2 3.88Å; Q95-Y97 PolarHBondContact OE1-OH 3.36Å; Y97-L105 HydrophobicContact CD1-CD1 3.77Å; Y97-L105 HydrophobicContact CE1-CD1 3.56Å; Y97-L105 HydrophobicContact CG-CD1 4.37Å; Y97-L303 HydrophobicContact CD2-CB 4.04Å; Y97-L303 HydrophobicContact CD2-CD2 4.14Å; Y97-L303 HydrophobicContact CE2-CB 4.42Å; Y97-L303 HydrophobicContact CE2-CD2 3.7Å; Y97-L304 PolarHBondContact N-O 3.47Å; Y97-L305 WeakPolarHBondContact O-CA 3.31Å; Y97-K306 PolarHBondContact O-N 3.35Å |
| 98 | D | 95.3 | Very high | 91.5 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | trans | -68.8 | 153.8 | 162 | -55.7 | -50.3 | 0 | 0 | 0 | 109.6 | E100 K101 A102 | D98-E100 VanDerWaalsContact C-N 3.35Å; D98-E100 PolarHBondContact O-N 2.69Å; D98-K101 HydrophobicContact CB-CD 4.27Å; D98-K101 HydrophobicContact CB-CG 4.41Å; D98-K101 PolarHBondContact O-N 3.42Å; D98-K101 WeakPolarHBondContact OD2-CE 3.18Å; D98-K101 IonicContact OD2-NZ 3.42Å; D98-K101 PolarHBondContact OD2-NZ 2.87Å; D98-A102 WeakPolarHBondContact O-CB 3.44Å; D98-A102 PolarHBondContact O-N 3.03Å | ||
| 99 | V | 94.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 70.6 Ų | 70.6 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -46.5 | -176.1 | 176.7 | 0 | 0 | 0 | 0 | 112 | K101 A102 V103 A268 L271 L305 L310 | V99-K101 PolarHBondContact O-N 3.34Å; V99-A102 PolarHBondContact O-N 3.33Å; V99-V103 HydrophobicContact CG1-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.36Å; V99-V103 PolarHBondContact O-N 3.2Å; V99-A268 HydrophobicContact CG1-CB 4.02Å; V99-L271 HydrophobicContact CB-CD2 4.36Å; V99-L271 HydrophobicContact CG1-CD2 3.63Å; V99-L271 HydrophobicContact CG2-CD2 3.73Å; V99-L305 HydrophobicContact CG2-CD1 4.47Å; V99-L310 HydrophobicContact CG2-CD1 3.91Å; V99-L310 HydrophobicContact CG2-CD2 3.9Å; V99-L310 HydrophobicContact CG2-CG 4.33Å |
| 100 | E | 93.8 | Very high | 92.2 | Very high | 144 Ų | 144 | 68.3 Ų | 68.3 | 67% | 0.673 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | -179.3 | -63.8 | 172.6 | -168.2 | 0 | 0 | 111.7 | D98 V103 H104 | D98-E100 VanDerWaalsContact C-N 3.35Å; D98-E100 PolarHBondContact O-N 2.69Å; E100-V103 PolarHBondContact O-N 2.83Å; E100-H104 PolarHBondContact O-N 3.3Å |
| 101 | K | 94.8 | Very high | 92.6 | Very high | 123 Ų | 123 | 66.2 Ų | 66.2 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.9 | -68.6 | 177.1 | -175.5 | 154.3 | 0 | 111.2 | D98 V99 V103 H104 L105 | D98-K101 HydrophobicContact CB-CD 4.27Å; D98-K101 HydrophobicContact CB-CG 4.41Å; D98-K101 PolarHBondContact O-N 3.42Å; D98-K101 WeakPolarHBondContact OD2-CE 3.18Å; D98-K101 IonicContact OD2-NZ 3.42Å; D98-K101 PolarHBondContact OD2-NZ 2.87Å; V99-K101 PolarHBondContact O-N 3.34Å; K101-V103 PolarHBondContact O-N 3.09Å; K101-H104 PolarHBondContact O-N 3.17Å; K101-L105 WeakPolarHBondContact O-CB 3.09Å; K101-L105 WeakPolarHBondContact O-CG 3.45Å; K101-L105 PolarHBondContact O-N 3.26Å |
| 102 | A | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D98 V99 H104 L105 L106 L295 L303 L305 | D98-A102 WeakPolarHBondContact O-CB 3.44Å; D98-A102 PolarHBondContact O-N 3.03Å; V99-A102 PolarHBondContact O-N 3.33Å; A102-H104 PolarHBondContact O-N 3.35Å; A102-L105 PolarHBondContact O-N 3.49Å; A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.5Å; A102-L106 PolarHBondContact O-N 2.85Å; A102-L295 HydrophobicContact CB-CD2 4.17Å; A102-L303 HydrophobicContact CB-CB 4.46Å; A102-L303 HydrophobicContact CB-CD1 4.07Å; A102-L303 WeakPolarHBondContact O-CD1 3.17Å; A102-L305 HydrophobicContact CB-CD2 3.39Å |
| 103 | V | 94.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 177 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | V99 E100 K101 L105 L106 K107 I267 L295 | V99-V103 HydrophobicContact CG1-CG2 4.43Å; V99-V103 WeakPolarHBondContact O-CG2 3.36Å; V99-V103 PolarHBondContact O-N 3.2Å; E100-V103 PolarHBondContact O-N 2.83Å; K101-V103 PolarHBondContact O-N 3.09Å; V103-L105 PolarHBondContact O-N 3.09Å; V103-L106 PolarHBondContact O-N 3.01Å; V103-K107 WeakPolarHBondContact O-CG 3.37Å; V103-K107 PolarHBondContact O-N 3.32Å; V103-K107 VanDerWaalsContact O-N 3.08Å; V103-I267 HydrophobicContact CG1-CD1 3.67Å; V103-I267 HydrophobicContact CG2-CB 4.31Å; V103-I267 HydrophobicContact CG2-CG2 3.78Å; V103-L295 HydrophobicContact CG2-CD2 3.84Å |
| 104 | H | 94.8 | Very high | 93.1 | Very high | 129 Ų | 129 | 76.5 Ų | 76.5 | 60% | 0.597 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61 | -44 | 176.2 | -178 | -86.4 | 0 | 0 | 0 | 112 | E100 K101 A102 K107 K108 | E100-H104 PolarHBondContact O-N 3.3Å; K101-H104 PolarHBondContact O-N 3.17Å; A102-H104 PolarHBondContact O-N 3.35Å; H104-K107 PolarHBondContact O-N 3.4Å; H104-K108 PolarHBondContact O-N 3.39Å |
| 105 | L | 94.6 | Very high | 93.4 | Very high | 41 Ų | 41 | 72.4 Ų | 72.4 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.9 | -73.9 | 174 | 0 | 0 | 0 | 112.1 | Y97 K101 A102 V103 K107 K108 F109 L303 | Y97-L105 HydrophobicContact CD1-CD1 3.77Å; Y97-L105 HydrophobicContact CE1-CD1 3.56Å; Y97-L105 HydrophobicContact CG-CD1 4.37Å; K101-L105 WeakPolarHBondContact O-CB 3.09Å; K101-L105 WeakPolarHBondContact O-CG 3.45Å; K101-L105 PolarHBondContact O-N 3.26Å; A102-L105 PolarHBondContact O-N 3.49Å; V103-L105 PolarHBondContact O-N 3.09Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 2.96Å; L105-K108 CarbonylContact O-C 3.57Å; L105-K108 WeakPolarHBondContact O-CB 3.43Å; L105-K108 PolarHBondContact O-N 2.81Å; L105-K108 VanDerWaalsContact O-N 3.12Å; L105-F109 HydrophobicContact CB-CE2 4.31Å; L105-F109 HydrophobicContact CB-CZ 4.23Å; L105-F109 WeakPolarHBondContact O-CD1 3.44Å; L105-F109 WeakPolarHBondContact O-CG 3.01Å; L105-F109 PolarHBondContact O-N 3.49Å; L105-L303 HydrophobicContact CB-CD1 3.78Å; L105-L303 HydrophobicContact CD1-CD1 4.23Å |
| 106 | L | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.2 | -70.6 | 177.3 | 0 | 0 | 0 | 112.5 | A102 V103 F109 Q110 V121 L260 L295 S300 L303 | A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.5Å; A102-L106 PolarHBondContact O-N 2.85Å; V103-L106 PolarHBondContact O-N 3.01Å; L106-F109 HydrophobicContact CD2-CD2 4.26Å; L106-F109 PolarHBondContact O-N 3.1Å; L106-Q110 PolarHBondContact O-N 2.6Å; L106-V121 HydrophobicContact CD1-CG1 4.32Å; L106-L260 HydrophobicContact CB-CD2 4.01Å; L106-L295 HydrophobicContact CD1-CB 4.21Å; L106-L295 HydrophobicContact CD1-CD2 3.53Å; L106-L295 HydrophobicContact CD1-CG 3.55Å; L106-S300 WeakPolarHBondContact CD2-OG 3.16Å; L106-L303 HydrophobicContact CD2-CD1 4.01Å; L106-L303 HydrophobicContact CD2-CG 4.31Å; L106-L303 HydrophobicContact CG-CD1 3.95Å |
| 107 | K | 93.2 | Very high | 93 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 27% | 0.27 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 173.6 | -69.2 | -177.9 | 179.7 | -164.6 | 0 | 111.5 | V103 H104 L105 Q110 V111 L260 M262 | V103-K107 WeakPolarHBondContact O-CG 3.37Å; V103-K107 PolarHBondContact O-N 3.32Å; V103-K107 VanDerWaalsContact O-N 3.08Å; H104-K107 PolarHBondContact O-N 3.4Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 2.96Å; K107-Q110 PolarHBondContact O-N 2.99Å; K107-V111 PolarHBondContact O-N 3.29Å; K107-L260 VanDerWaalsContact CE-O 3.24Å; K107-L260 WeakPolarHBondContact CE-O 3.33Å; K107-L260 HydrophobicContact CG-CD2 4.2Å; K107-M262 PolarHBondContact NZ-O 2.86Å |
| 108 | K | 93.5 | Very high | 92.8 | Very high | 118 Ų | 118 | 74 Ų | 74 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.1 | -171.7 | 178.5 | 179.7 | -177.1 | 0 | 111.7 | H104 L105 Q110 V111 L112 | H104-K108 PolarHBondContact O-N 3.39Å; L105-K108 CarbonylContact O-C 3.57Å; L105-K108 WeakPolarHBondContact O-CB 3.43Å; L105-K108 PolarHBondContact O-N 2.81Å; L105-K108 VanDerWaalsContact O-N 3.12Å; K108-Q110 VanDerWaalsContact C-N 3.34Å; K108-Q110 PolarHBondContact O-N 3.47Å; K108-V111 PolarHBondContact O-N 3.4Å; K108-L112 HydrophobicContact CG-CD1 4.17Å; K108-L112 WeakPolarHBondContact O-CG 3.38Å; K108-L112 PolarHBondContact O-N 3.16Å |
| 109 | F | 93.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177 | -63.3 | -21.4 | 0 | 0 | 0 | 111.8 | L105 L106 V111 L112 D113 E301 L303 | L105-F109 HydrophobicContact CB-CE2 4.31Å; L105-F109 HydrophobicContact CB-CZ 4.23Å; L105-F109 WeakPolarHBondContact O-CD1 3.44Å; L105-F109 WeakPolarHBondContact O-CG 3.01Å; L105-F109 PolarHBondContact O-N 3.49Å; L106-F109 HydrophobicContact CD2-CD2 4.26Å; L106-F109 PolarHBondContact O-N 3.1Å; F109-V111 VanDerWaalsContact C-N 3.25Å; F109-V111 PolarHBondContact O-N 2.94Å; F109-L112 PolarHBondContact O-N 3.13Å; F109-L112 VanDerWaalsContact O-N 3.12Å; F109-D113 VanDerWaalsContact O-CB 3.3Å; F109-D113 WeakPolarHBondContact O-CB 3.5Å; F109-D113 PolarHBondContact O-N 3.02Å; F109-E301 HydrophobicContact CE2-CG 4.34Å; F109-L303 HydrophobicContact CE2-CD1 4.15Å; F109-L303 HydrophobicContact CE2-CD2 3.91Å; F109-L303 HydrophobicContact CE2-CG 4.28Å; F109-L303 HydrophobicContact CZ-CD2 4.39Å |
| 110 | Q | 93.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 72 Ų | 72 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 176.6 | 175.1 | -104.7 | -46.2 | 0 | 0 | 112.6 | L106 K107 K108 F114 T115 L260 | L106-Q110 PolarHBondContact O-N 2.6Å; K107-Q110 PolarHBondContact O-N 2.99Å; K108-Q110 VanDerWaalsContact C-N 3.34Å; K108-Q110 PolarHBondContact O-N 3.47Å; Q110-F114 PolarHBondContact O-N 2.86Å; Q110-T115 WeakPolarHBondContact CG-OG1 3.14Å; Q110-T115 PolarHBondContact NE2-O 3.18Å; Q110-T115 PolarHBondContact O-N 3.1Å; Q110-T115 PolarHBondContact O-OG1 3.46Å; Q110-T115 VanDerWaalsContact O-OG1 3.13Å; Q110-L260 HydrophobicContact CB-CD1 3.62Å; Q110-L260 HydrophobicContact CG-CD1 3.83Å |
| 111 | V | 92.1 | Very high | 92.7 | Very high | 98 Ų | 98 | 65.2 Ų | 65.2 | 59% | 0.594 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68 | -45.7 | 174.4 | 178 | 0 | 0 | 0 | 0 | 111.5 | K107 K108 F109 D113 F114 | K107-V111 PolarHBondContact O-N 3.29Å; K108-V111 PolarHBondContact O-N 3.4Å; F109-V111 VanDerWaalsContact C-N 3.25Å; F109-V111 PolarHBondContact O-N 2.94Å; V111-D113 VanDerWaalsContact C-N 3.32Å; V111-D113 PolarHBondContact O-N 3.24Å; V111-F114 PolarHBondContact O-N 3.09Å |
| 112 | L | 91.6 | Very high | 92.7 | Very high | 105 Ų | 105 | 61.3 Ų | 61.3 | 55% | 0.55 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 180 | -68 | 173.1 | 0 | 0 | 0 | 112.8 | K108 F109 F114 | K108-L112 HydrophobicContact CG-CD1 4.17Å; K108-L112 WeakPolarHBondContact O-CG 3.38Å; K108-L112 PolarHBondContact O-N 3.16Å; F109-L112 PolarHBondContact O-N 3.13Å; F109-L112 VanDerWaalsContact O-N 3.12Å; L112-F114 VanDerWaalsContact O-CD2 3.3Å; L112-F114 WeakPolarHBondContact O-CD2 3.37Å; L112-F114 WeakPolarHBondContact O-CE2 3.34Å; L112-F114 PolarHBondContact O-N 2.86Å |
| 113 | D | 90.3 | Very high | 92.8 | Very high | 78 Ų | 78 | 61.3 Ų | 61.3 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.3 | 177.9 | -66.2 | -14.1 | 0 | 0 | 0 | 112.3 | F109 V111 T115 | F109-D113 VanDerWaalsContact O-CB 3.3Å; F109-D113 WeakPolarHBondContact O-CB 3.5Å; F109-D113 PolarHBondContact O-N 3.02Å; V111-D113 VanDerWaalsContact C-N 3.32Å; V111-D113 PolarHBondContact O-N 3.24Å; D113-T115 HydrophobicContact CB-CG2 3.75Å; D113-T115 PolarHBondContact O-N 3.07Å |
| 114 | F | 90.8 | Very high | 92.8 | Very high | 191 Ų | 191 | 62.1 Ų | 62.1 | 84% | 0.838 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 38.8 | -173.7 | -60.9 | -86.8 | 0 | 0 | 0 | 113.4 | Q110 V111 L112 | Q110-F114 PolarHBondContact O-N 2.86Å; V111-F114 PolarHBondContact O-N 3.09Å; L112-F114 VanDerWaalsContact O-CD2 3.3Å; L112-F114 WeakPolarHBondContact O-CD2 3.37Å; L112-F114 WeakPolarHBondContact O-CE2 3.34Å; L112-F114 PolarHBondContact O-N 2.86Å |
| 115 | T | 92.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | trans | -100.3 | 163.6 | -176.2 | 57 | 0 | 0 | 0 | 0 | 112.7 | Q110 D113 Q119 T299 | Q110-T115 WeakPolarHBondContact CG-OG1 3.14Å; Q110-T115 PolarHBondContact NE2-O 3.18Å; Q110-T115 PolarHBondContact O-N 3.1Å; Q110-T115 PolarHBondContact O-OG1 3.46Å; Q110-T115 VanDerWaalsContact O-OG1 3.13Å; D113-T115 HydrophobicContact CB-CG2 3.75Å; D113-T115 PolarHBondContact O-N 3.07Å; T115-Q119 PolarHBondContact OG1-NE2 3.45Å; T115-Q119 PolarHBondContact OG1-OE1 2.87Å; T115-T299 HydrophobicContact CG2-CG2 3.78Å | ||
| 116 | G | 88.1 | Confident | 92.8 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | trans | -61.7 | 142.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K118 Q119 | G116-K118 VanDerWaalsContact C-N 3.25Å; G116-K118 PolarHBondContact O-N 3.22Å; G116-Q119 VanDerWaalsContact O-CG 3.29Å; G116-Q119 WeakPolarHBondContact O-CG 3.42Å | ||
| 117 | P | 86.9 | Confident | 92.7 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.3 | -176.8 | 26.7 | -34.8 | 0 | 0 | 0 | 114 | Q119 D261 | P117-Q119 VanDerWaalsContact C-N 3.3Å; P117-Q119 PolarHBondContact O-N 3.16Å; P117-D261 PolarHBondContact O-N 3.26Å |
| 118 | K | 90.8 | Very high | 92.5 | Very high | 141 Ų | 141 | 53.4 Ų | 53.4 | 61% | 0.613 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 30.2 | -177.9 | -61.3 | -171.8 | 174.7 | 179.8 | 0 | 113.4 | G116 | G116-K118 VanDerWaalsContact C-N 3.25Å; G116-K118 PolarHBondContact O-N 3.22Å |
| 119 | Q | 91.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 145.5 | 177.2 | -84 | 179.9 | -15.3 | 0 | 0 | 111.9 | T115 G116 P117 R259 L260 S297 T299 | T115-Q119 PolarHBondContact OG1-NE2 3.45Å; T115-Q119 PolarHBondContact OG1-OE1 2.87Å; G116-Q119 VanDerWaalsContact O-CG 3.29Å; G116-Q119 WeakPolarHBondContact O-CG 3.42Å; P117-Q119 VanDerWaalsContact C-N 3.3Å; P117-Q119 PolarHBondContact O-N 3.16Å; Q119-R259 CarbonylContact O-C 3.56Å; Q119-R259 VanDerWaalsContact O-CA 3.23Å; Q119-R259 WeakPolarHBondContact O-CA 3.13Å; Q119-L260 HydrophobicContact CB-CD1 3.95Å; Q119-L260 HydrophobicContact CB-CG 4.34Å; Q119-L260 PolarHBondContact O-N 2.91Å; Q119-S297 PolarHBondContact OE1-OG 3.42Å; Q119-T299 VanDerWaalsContact NE2-CG2 3.27Å; Q119-T299 PolarHBondContact NE2-OG1 3.28Å |
| 120 | S | 93.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.4 | 173.7 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | S298 | S120-S298 PolarHBondContact O-N 3.17Å; S120-S298 PolarHBondContact O-OG 3.1Å |
| 121 | V | 95.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126.9 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | L106 K256 I257 A258 L260 L295 R296 | L106-V121 HydrophobicContact CD1-CG1 4.32Å; V121-K256 WeakPolarHBondContact O-CA 3.42Å; V121-I257 HydrophobicContact CB-CG1 4.35Å; V121-I257 HydrophobicContact CG1-CD1 4.31Å; V121-I257 HydrophobicContact CG1-CG1 4.12Å; V121-I257 PolarHBondContact O-N 2.92Å; V121-A258 HydrophobicContact CB-CB 4.46Å; V121-A258 PolarHBondContact N-O 3.27Å; V121-L260 HydrophobicContact CG2-CD2 3.41Å; V121-L260 VanDerWaalsContact CG2-CD2 3.41Å; V121-L260 HydrophobicContact CG2-CG 3.75Å; V121-L295 HydrophobicContact CG1-CD1 3.63Å; V121-L295 HydrophobicContact CG1-CD2 4.49Å; V121-L295 HydrophobicContact CG1-CG 3.93Å; V121-R296 WeakPolarHBondContact CA-O 3.23Å |
| 122 | Y | 95.8 | Very high | 89.2 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.9 | 177 | -59.1 | -97.6 | 0 | 0 | 0 | 110.3 | Q254 T255 K256 R296 S298 | Y122-Q254 HydrophobicContact CD1-CG 4.13Å; Y122-T255 CarbonylContact C-O 3.36Å; Y122-T255 VanDerWaalsContact CA-O 3.32Å; Y122-T255 WeakPolarHBondContact CA-O 3.4Å; Y122-K256 HydrophobicContact CD1-CG 3.56Å; Y122-K256 HydrophobicContact CE1-CD 3.95Å; Y122-K256 HydrophobicContact CE1-CG 3.26Å; Y122-K256 HydrophobicContact CG-CG 4.43Å; Y122-K256 WeakPolarHBondContact OH-CE 3.44Å; Y122-R296 HydrophobicContact CD2-CG 4.43Å; Y122-R296 PolarHBondContact N-O 3.26Å; Y122-R296 PolarHBondContact O-N 3.29Å; Y122-S298 WeakPolarHBondContact CE2-OG 3.46Å |
| 123 | L | 96.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.7 | 166.1 | 178.9 | 65.6 | 0 | 0 | 0 | 108.3 | L125 Q254 T255 I257 L271 V274 I275 A293 | L123-L125 HydrophobicContact CD1-CD2 3.76Å; L123-L125 HydrophobicContact CD1-CG 4.43Å; L123-L125 HydrophobicContact CD2-CD1 4.01Å; L123-L125 HydrophobicContact CD2-CD2 3.89Å; L123-L125 HydrophobicContact CD2-CG 3.92Å; L123-L125 HydrophobicContact CG-CD2 3.76Å; L123-L125 HydrophobicContact CG-CG 3.89Å; L123-Q254 WeakPolarHBondContact O-CA 3.35Å; L123-T255 HydrophobicContact CB-CG2 4.25Å; L123-T255 PolarHBondContact N-O 2.88Å; L123-T255 PolarHBondContact O-N 2.94Å; L123-I257 HydrophobicContact CB-CD1 4.38Å; L123-I257 HydrophobicContact CB-CG2 3.6Å; L123-I257 HydrophobicContact CD2-CG2 4.27Å; L123-L271 HydrophobicContact CB-CD1 4.46Å; L123-L271 HydrophobicContact CD1-CD1 3.4Å; L123-L271 VanDerWaalsContact CD1-CD1 3.4Å; L123-L271 HydrophobicContact CD2-CD1 3.45Å; L123-L271 VanDerWaalsContact CD2-CD1 3.45Å; L123-L271 HydrophobicContact CG-CD1 3.92Å; L123-V274 HydrophobicContact CD2-CB 4.29Å; L123-V274 HydrophobicContact CD2-CG1 3.61Å; L123-I275 HydrophobicContact CD2-CG1 4.41Å; L123-A293 HydrophobicContact CD1-CB 4.35Å |
| 124 | D | 95.8 | Very high | 86.1 | Confident | 20 Ų | 20 | 62.7 Ų | 62.7 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.6 | 175.5 | -65.9 | -9.3 | 0 | 0 | 0 | 108 | F252 L253 Q254 A293 F294 R296 | D124-F252 HydrophobicContact CB-CE2 4.04Å; D124-F252 HydrophobicContact CB-CZ 3.69Å; D124-L253 CarbonylContact C-O 3.53Å; D124-L253 WeakPolarHBondContact CA-O 3.42Å; D124-Q254 WeakPolarHBondContact OD1-CB 3.46Å; D124-Q254 WeakPolarHBondContact OD1-CG 3.4Å; D124-Q254 PolarHBondContact OD1-NE2 3.5Å; D124-Q254 PolarHBondContact OD2-NE2 3.38Å; D124-A293 WeakPolarHBondContact O-CA 3.5Å; D124-F294 HydrophobicContact CB-CB 4.14Å; D124-F294 PolarHBondContact N-O 3.45Å; D124-F294 PolarHBondContact O-N 3.11Å; D124-R296 WeakPolarHBondContact OD2-CD 3.33Å; D124-R296 IonicContact OD2-NE 2.69Å |
| 125 | L | 95.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 144 | 177.6 | -58.7 | -179 | 0 | 0 | 0 | 110.1 | L123 L127 L253 V278 V290 A293 | L123-L125 HydrophobicContact CD1-CD2 3.76Å; L123-L125 HydrophobicContact CD1-CG 4.43Å; L123-L125 HydrophobicContact CD2-CD1 4.01Å; L123-L125 HydrophobicContact CD2-CD2 3.89Å; L123-L125 HydrophobicContact CD2-CG 3.92Å; L123-L125 HydrophobicContact CG-CD2 3.76Å; L123-L125 HydrophobicContact CG-CG 3.89Å; L125-L127 HydrophobicContact CB-CD2 4.06Å; L125-L253 HydrophobicContact CB-CB 4.32Å; L125-L253 HydrophobicContact CB-CD2 4.47Å; L125-L253 HydrophobicContact CD1-CD2 4.25Å; L125-L253 HydrophobicContact CG-CD2 4.41Å; L125-L253 PolarHBondContact N-O 2.91Å; L125-L253 PolarHBondContact O-N 3.31Å; L125-V278 HydrophobicContact CD1-CB 4.47Å; L125-V278 HydrophobicContact CD1-CG1 4.26Å; L125-V278 HydrophobicContact CD1-CG2 4.13Å; L125-V290 HydrophobicContact CD2-CG1 3.97Å; L125-A293 HydrophobicContact CD2-CB 3.56Å |
| 126 | T | 93.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.3 | 162.6 | -55.7 | 0 | 0 | 0 | 0 | 109 | N251 I291 R292 | T126-N251 CarbonylContact C-O 3.54Å; T126-N251 WeakPolarHBondContact CA-O 3.47Å; T126-I291 PolarHBondContact O-N 3.17Å; T126-R292 VanDerWaalsContact CB-CG 3.46Å; T126-R292 VanDerWaalsContact CB-NE 3.3Å; T126-R292 HydrophobicContact CG2-CG 4.35Å; T126-R292 PolarHBondContact N-O 2.77Å; T126-R292 PolarHBondContact O-N 3.35Å; T126-R292 PolarHBondContact OG1-NE 3.23Å; T126-R292 PolarHBondContact OG1-NH2 3.25Å |
| 127 | L | 92.3 | Very high | 84 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.3 | -168.4 | -53.1 | 178.9 | 0 | 0 | 0 | 110.3 | L125 M129 F140 V245 N251 L253 V278 F289 V290 | L125-L127 HydrophobicContact CB-CD2 4.06Å; L127-M129 HydrophobicContact CB-CG 4.43Å; L127-M129 HydrophobicContact CB-SD 3.95Å; L127-M129 HydrophobicContact CD1-SD 4.29Å; L127-M129 PolarHBondContact O-N 2.94Å; L127-F140 HydrophobicContact CD1-CE1 4.33Å; L127-F140 HydrophobicContact CD1-CZ 4.33Å; L127-V245 HydrophobicContact CD1-CG2 3.99Å; L127-N251 PolarHBondContact N-O 2.84Å; L127-L253 HydrophobicContact CD1-CB 4.32Å; L127-L253 HydrophobicContact CD1-CD1 4.04Å; L127-V278 HydrophobicContact CD1-CG1 4.24Å; L127-V278 HydrophobicContact CD2-CG1 3.68Å; L127-F289 CarbonylContact C-O 3.55Å; L127-F289 VanDerWaalsContact CA-O 3.3Å; L127-F289 WeakPolarHBondContact CA-O 3.37Å; L127-F289 HydrophobicContact CB-CD2 4.37Å; L127-F289 HydrophobicContact CB-CE2 3.84Å; L127-F289 HydrophobicContact CB-CZ 3.95Å; L127-F289 HydrophobicContact CD1-CE1 4.01Å; L127-F289 HydrophobicContact CD1-CE2 4.49Å; L127-F289 HydrophobicContact CD1-CZ 3.76Å; L127-F289 HydrophobicContact CD2-CD1 4.36Å; L127-F289 HydrophobicContact CD2-CE1 4.18Å; L127-F289 HydrophobicContact CD2-CZ 4.39Å; L127-F289 HydrophobicContact CG-CE1 4.48Å; L127-F289 HydrophobicContact CG-CZ 4.24Å; L127-V290 HydrophobicContact CD2-CG2 4.02Å |
| 128 | D | 88.3 | Confident | 83.8 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | trans | -85.4 | 95.2 | 166.5 | -178 | 13.9 | 0 | 0 | 0 | 109.6 | T130 R282 F289 I291 | D128-T130 VanDerWaalsContact CG-OG1 3.25Å; D128-T130 PolarHBondContact O-N 2.9Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.49Å; D128-T130 PolarHBondContact OD1-N 3.37Å; D128-T130 VanDerWaalsContact OD1-N 3.08Å; D128-T130 PolarHBondContact OD1-OG1 3.37Å; D128-T130 PolarHBondContact OD2-OG1 3.24Å; D128-R282 IonicContact OD2-CZ 3.65Å; D128-R282 IonicContact OD2-NH1 2.75Å; D128-R282 IonicContact OD2-NH2 3.89Å; D128-R282 PolarHBondContact OD2-NH2 2.84Å; D128-F289 PolarHBondContact N-O 2.88Å; D128-F289 WeakPolarHBondContact O-CD2 3.16Å; D128-F289 VanDerWaalsContact O-CE2 3.25Å; D128-F289 WeakPolarHBondContact O-CE2 3.44Å; D128-I291 HydrophobicContact CB-CD1 3.82Å; D128-I291 HydrophobicContact CB-CG1 3.88Å | ||
| 129 | M | 84.8 | Confident | 83.6 | Confident | 19 Ų | 19 | 58.1 Ų | 58.1 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | trans | -77.3 | 2 | -179.6 | -59.1 | -61.7 | -85.3 | 0 | 0 | 112.9 | L127 N136 V137 V245 E250 N251 F289 | L127-M129 HydrophobicContact CB-CG 4.43Å; L127-M129 HydrophobicContact CB-SD 3.95Å; L127-M129 HydrophobicContact CD1-SD 4.29Å; L127-M129 PolarHBondContact O-N 2.94Å; M129-N136 CarbonylContact O-C 3.56Å; M129-N136 WeakPolarHBondContact O-CA 3.5Å; M129-N136 WeakPolarHBondContact O-CB 3.36Å; M129-V137 HydrophobicContact CB-CB 4.45Å; M129-V137 HydrophobicContact CE-CB 3.67Å; M129-V137 HydrophobicContact CE-CG1 3.98Å; M129-V137 VanDerWaalsContact CE-O 3.29Å; M129-V137 WeakPolarHBondContact CE-O 3.17Å; M129-V137 PolarHBondContact O-N 3.24Å; M129-V137 HydrophobicContact SD-CB 3.94Å; M129-V137 HydrophobicContact SD-CG1 4.42Å; M129-V137 HydrophobicContact SD-CG2 4.27Å; M129-V245 HydrophobicContact CE-CG1 4.49Å; M129-E250 WeakPolarHBondContact CE-O 3.5Å; M129-E250 WeakPolarHBondContact CG-O 3.35Å; M129-N251 HydrophobicContact CG-CB 4.11Å; M129-F289 HydrophobicContact SD-CE2 3.77Å; M129-F289 HydrophobicContact SD-CZ 3.82Å | ||
| 130 | T | 81 | Confident | 83.4 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 130.1 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | D128 R282 | D128-T130 VanDerWaalsContact CG-OG1 3.25Å; D128-T130 PolarHBondContact O-N 2.9Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.49Å; D128-T130 PolarHBondContact OD1-N 3.37Å; D128-T130 VanDerWaalsContact OD1-N 3.08Å; D128-T130 PolarHBondContact OD1-OG1 3.37Å; D128-T130 PolarHBondContact OD2-OG1 3.24Å; T130-R282 PolarHBondContact O-NE 3.15Å; T130-R282 PolarHBondContact O-NH2 2.93Å |
| 131 | Q | 69.7 | Low | 83.2 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | trans | -114.7 | 7.9 | 176.6 | -65.6 | -176.2 | -26.8 | 0 | 0 | 113.4 | K135 V137 L286 | Q131-K135 WeakPolarHBondContact CA-O 3.36Å; Q131-K135 VanDerWaalsContact CB-O 3.32Å; Q131-K135 WeakPolarHBondContact CB-O 3.48Å; Q131-K135 PolarHBondContact N-O 3.26Å; Q131-V137 HydrophobicContact CG-CB 4.24Å; Q131-V137 HydrophobicContact CG-CG2 3.4Å; Q131-V137 VanDerWaalsContact NE2-CG2 3.31Å; Q131-L286 HydrophobicContact CB-CD1 4.1Å; Q131-L286 HydrophobicContact CG-CD1 4.25Å | ||
| 132 | G | 68 | Low | 82.9 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 132.7 | -149 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K134 | G132-K134 PolarHBondContact O-N 2.89Š|
| 133 | R | 56 | Low | 82.8 | Confident | 253 Ų | 253 | 57 Ų | 57 | 96% | 0.955 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -63.6 | 22.3 | -167.7 | -70.7 | -169.8 | 179.6 | -176.7 | 1.1 | 117.4 | ||
| 134 | K | 61.1 | Low | 82.6 | Confident | 206 Ų | 206 | 57.5 Ų | 57.5 | 90% | 0.896 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 148.8 | 1.8 | 167.8 | -83.7 | 156.3 | -170.3 | -172.4 | 0 | 114 | G132 | G132-K134 PolarHBondContact O-N 2.89Š|
| 135 | K | 72 | Confident | 82.4 | Confident | 162 Ų | 162 | 59.7 Ų | 59.7 | 70% | 0.704 | 31% | 0.314 | S | S | * | . | trans | -98.6 | 130.7 | 176.5 | -65.6 | -175.6 | -179.2 | -179.5 | 0 | 109 | Q131 | Q131-K135 WeakPolarHBondContact CA-O 3.36Å; Q131-K135 VanDerWaalsContact CB-O 3.32Å; Q131-K135 WeakPolarHBondContact CB-O 3.48Å; Q131-K135 PolarHBondContact N-O 3.26Å | ||
| 136 | N | 76.1 | Confident | 82.3 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -104.8 | 151.8 | 170.4 | -68.6 | -16.6 | 0 | 0 | 0 | 109.3 | M129 A138 | M129-N136 CarbonylContact O-C 3.56Å; M129-N136 WeakPolarHBondContact O-CA 3.5Å; M129-N136 WeakPolarHBondContact O-CB 3.36Å; N136-A138 PolarHBondContact O-N 3.08Å |
| 137 | V | 79.3 | Confident | 82.2 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 128.8 | 165 | -167.5 | 0 | 0 | 0 | 0 | 106.2 | M129 Q131 F140 F289 | M129-V137 HydrophobicContact CB-CB 4.45Å; M129-V137 HydrophobicContact CE-CB 3.67Å; M129-V137 HydrophobicContact CE-CG1 3.98Å; M129-V137 VanDerWaalsContact CE-O 3.29Å; M129-V137 WeakPolarHBondContact CE-O 3.17Å; M129-V137 PolarHBondContact O-N 3.24Å; M129-V137 HydrophobicContact SD-CB 3.94Å; M129-V137 HydrophobicContact SD-CG1 4.42Å; M129-V137 HydrophobicContact SD-CG2 4.27Å; Q131-V137 HydrophobicContact CG-CB 4.24Å; Q131-V137 HydrophobicContact CG-CG2 3.4Å; Q131-V137 VanDerWaalsContact NE2-CG2 3.31Å; V137-F140 HydrophobicContact CG1-CD1 4.36Å; V137-F289 HydrophobicContact CG2-CE2 4.02Å; V137-F289 HydrophobicContact CG2-CZ 4.48Å |
| 138 | A | 82.9 | Confident | 82.3 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 60% | 0.603 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 142.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | N136 F140 | N136-A138 PolarHBondContact O-N 3.08Å; A138-F140 PolarHBondContact O-N 3.5Å |
| 139 | P | 85.6 | Confident | 82.4 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 31% | 0.312 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 124.9 | 171.4 | -25.1 | 33.5 | 0 | 0 | 0 | 110.2 | V245 E250 | P139-V245 HydrophobicContact CB-CB 4.4Å; P139-V245 HydrophobicContact CB-CG1 4.45Å; P139-E250 HydrophobicContact CG-CB 4.47Å; P139-E250 HydrophobicContact CG-CG 4.33Å |
| 140 | F | 87.4 | Confident | 82.7 | Confident | 23 Ų | 23 | 71.6 Ų | 71.6 | 10% | 0.101 | 38% | 0.38 | C | S | . | . | trans | -115.5 | 162.7 | -173.5 | 64.1 | -91.5 | 0 | 0 | 0 | 111.8 | L127 V137 A138 V245 V278 H281 F289 | L127-F140 HydrophobicContact CD1-CE1 4.33Å; L127-F140 HydrophobicContact CD1-CZ 4.33Å; V137-F140 HydrophobicContact CG1-CD1 4.36Å; A138-F140 PolarHBondContact O-N 3.5Å; F140-V245 HydrophobicContact CD1-CG2 3.89Å; F140-V245 HydrophobicContact CD2-CG2 4.44Å; F140-V245 HydrophobicContact CE1-CG2 3.62Å; F140-V245 HydrophobicContact CE2-CG2 4.21Å; F140-V245 HydrophobicContact CG-CG2 4.29Å; F140-V245 HydrophobicContact CZ-CG2 3.8Å; F140-V245 PolarHBondContact O-N 2.8Å; F140-V245 VanDerWaalsContact O-N 3.12Å; F140-V278 HydrophobicContact CZ-CG1 4.39Å; F140-H281 HydrophobicContact CD1-CB 4.06Å; F140-H281 AromaticContact CD2-CD2 3.46Å; F140-H281 VanDerWaalsContact CD2-CD2 3.46Å; F140-H281 WeakPolarHBondContact CD2-CD2 3.35Å; F140-H281 AromaticContact CD2-CE1 3.62Å; F140-H281 AromaticContact CD2-CG 3.68Å; F140-H281 AromaticContact CD2-ND1 3.78Å; F140-H281 AromaticContact CD2-NE2 3.39Å; F140-H281 WeakPolarHBondContact CD2-NE2 3.4Å; F140-H281 HydrophobicContact CE1-CB 3.84Å; F140-H281 HydrophobicContact CE2-CB 4.33Å; F140-H281 AromaticContact CE2-CD2 3.1Å; F140-H281 WeakPolarHBondContact CE2-CD2 3.5Å; F140-H281 AromaticContact CE2-CG 3.65Å; F140-H281 AromaticContact CE2-NE2 3.4Å; F140-H281 WeakPolarHBondContact CE2-NE2 3.42Å; F140-H281 HydrophobicContact CG-CB 4.39Å; F140-H281 AromaticContact CG-CG 3.89Å; F140-H281 AromaticContact CG-ND1 3.9Å; F140-H281 HydrophobicContact CZ-CB 3.99Å; F140-H281 AromaticContact CZ-CD2 3.52Å; F140-H281 AromaticContact CZ-CG 3.82Å; F140-F289 HydrophobicContact CE1-CE1 4.1Å; F140-F289 AromaticContact CE1-CZ 3.95Å; F140-F289 HydrophobicContact CE1-CZ 3.95Å; F140-F289 HydrophobicContact CZ-CE1 4.24Å | ||
| 141 | T | 89.4 | Confident | 82.6 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 14% | 0.135 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 120.3 | 172.2 | -54.5 | 0 | 0 | 0 | 0 | 106.8 | R223 E242 I243 K244 | T141-R223 WeakPolarHBondContact O-CD 3.32Å; T141-E242 HydrophobicContact CG2-CG 3.76Å; T141-E242 WeakPolarHBondContact CG2-OE1 3.29Å; T141-I243 CarbonylContact C-O 3.55Å; T141-I243 WeakPolarHBondContact CA-O 3.48Å; T141-K244 HydrophobicContact CG2-CB 4.34Å |
| 142 | S | 90.3 | Very high | 82.6 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 7% | 0.07 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 159.4 | 176.8 | -162.9 | 0 | 0 | 0 | 0 | 110.4 | I243 E277 H281 | S142-I243 PolarHBondContact N-O 2.94Å; S142-I243 PolarHBondContact O-N 2.76Å; S142-E277 PolarHBondContact OG-OE1 3.14Å; S142-H281 WeakPolarHBondContact CB-NE2 3.36Å |
| 143 | V | 92.3 | Very high | 83.2 | Confident | 8 Ų | 8 | 78.2 Ų | 78.2 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.8 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | F196 F236 F237 H241 | V143-F196 HydrophobicContact CG1-CE1 4.28Å; V143-F196 HydrophobicContact CG1-CZ 4.38Å; V143-F196 HydrophobicContact CG2-CD1 4.26Å; V143-F196 HydrophobicContact CG2-CE1 3.54Å; V143-F196 HydrophobicContact CG2-CZ 4.29Å; V143-F236 HydrophobicContact CB-CE1 4.14Å; V143-F236 HydrophobicContact CG1-CE1 3.92Å; V143-F236 HydrophobicContact CG1-CZ 4.34Å; V143-F236 WeakPolarHBondContact O-CZ 3.34Å; V143-F237 HydrophobicContact CB-CE1 4.17Å; V143-F237 HydrophobicContact CG1-CD1 4.1Å; V143-F237 HydrophobicContact CG1-CE1 4.14Å; V143-F237 HydrophobicContact CG2-CE1 4.05Å; V143-H241 WeakPolarHBondContact CA-O 3.47Å |
| 144 | L | 92.5 | Very high | 84.6 | Confident | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 151.8 | 173.9 | 78.1 | 169.2 | 0 | 0 | 0 | 111.1 | L146 H241 I243 A273 V274 E277 | L144-L146 HydrophobicContact CD1-CD2 4.1Å; L144-L146 HydrophobicContact CG-CD2 4.33Å; L144-H241 HydrophobicContact CD2-CB 3.99Å; L144-H241 VanDerWaalsContact CD2-O 3.28Å; L144-H241 WeakPolarHBondContact CD2-O 3.37Å; L144-H241 PolarHBondContact N-O 2.81Å; L144-H241 PolarHBondContact O-N 2.68Å; L144-I243 HydrophobicContact CD1-CD1 4.16Å; L144-I243 HydrophobicContact CD2-CD1 3.27Å; L144-I243 HydrophobicContact CD2-CG1 3.61Å; L144-I243 HydrophobicContact CG-CD1 4.31Å; L144-A273 HydrophobicContact CD1-CB 4.34Å; L144-V274 HydrophobicContact CD1-CB 4.47Å; L144-V274 HydrophobicContact CD1-CG2 3.92Å; L144-E277 HydrophobicContact CB-CB 4.44Å; L144-E277 HydrophobicContact CB-CG 4.11Å; L144-E277 HydrophobicContact CD1-CB 4.09Å |
| 145 | S | 92 | Very high | 86.1 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.4 | 165.4 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 146 | L | 92.8 | Very high | 87.2 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | trans | -80.7 | 136.2 | 175.5 | -69.9 | 172.2 | 0 | 0 | 0 | 109.9 | L144 Y148 F150 H241 N270 V274 | L144-L146 HydrophobicContact CD1-CD2 4.1Å; L144-L146 HydrophobicContact CG-CD2 4.33Å; L146-Y148 PolarHBondContact O-N 3.41Å; L146-F150 HydrophobicContact CD1-CD1 3.88Å; L146-F150 HydrophobicContact CD1-CE1 3.4Å; L146-F150 VanDerWaalsContact CD1-CE1 3.4Å; L146-F150 HydrophobicContact CD1-CZ 4.49Å; L146-H241 HydrophobicContact CD1-CB 3.91Å; L146-H241 HydrophobicContact CG-CB 4Å; L146-N270 HydrophobicContact CD2-CB 4.27Å; L146-V274 HydrophobicContact CD2-CG2 3.92Å | ||
| 147 | P | 93.3 | Very high | 88.1 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -55.5 | -39.1 | 176 | -25.5 | 33.1 | 0 | 0 | 0 | 113 | N270 A273 | P147-N270 WeakPolarHBondContact CD-OD1 3.32Å; P147-A273 HydrophobicContact CG-CB 3.96Å |
| 148 | Y | 94.1 | Very high | 88.9 | Confident | 100 Ų | 100 | 57 Ų | 57 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -119.1 | 103.3 | 177.6 | -59.3 | -74.6 | 0 | 0 | 0 | 110.1 | L146 Q266 A269 N270 | L146-Y148 PolarHBondContact O-N 3.41Å; Y148-Q266 HydrophobicContact CD1-CB 4.48Å; Y148-Q266 HydrophobicContact CD1-CG 3.81Å; Y148-Q266 HydrophobicContact CD2-CB 3.85Å; Y148-Q266 HydrophobicContact CD2-CG 3.9Å; Y148-Q266 HydrophobicContact CE1-CG 3.96Å; Y148-Q266 HydrophobicContact CE2-CB 4.31Å; Y148-Q266 HydrophobicContact CE2-CG 4.05Å; Y148-Q266 HydrophobicContact CG-CB 3.93Å; Y148-Q266 HydrophobicContact CG-CG 3.76Å; Y148-A269 HydrophobicContact CD2-CB 3.93Å; Y148-A269 HydrophobicContact CE2-CB 3.59Å; Y148-N270 PolarHBondContact N-OD1 2.85Å; Y148-N270 PolarHBondContact O-ND2 2.81Å; Y148-N270 PolarHBondContact O-OD1 2.87Å |
| 149 | P | 90.4 | Very high | 89.5 | Confident | 103 Ų | 103 | 53.5 Ų | 53.5 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | trans | -68.8 | 139.9 | 179.6 | 28 | -33.7 | 0 | 0 | 0 | 110.8 | ||||
| 150 | F | 90.3 | Very high | 90 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | trans | -128.2 | -12.5 | 178.2 | 70.7 | -93.5 | 0 | 0 | 0 | 113.3 | L146 K256 I257 R259 M262 | L146-F150 HydrophobicContact CD1-CD1 3.88Å; L146-F150 HydrophobicContact CD1-CE1 3.4Å; L146-F150 VanDerWaalsContact CD1-CE1 3.4Å; L146-F150 HydrophobicContact CD1-CZ 4.49Å; F150-K256 HydrophobicContact CE2-CB 4.08Å; F150-K256 HydrophobicContact CZ-CB 3.74Å; F150-K256 WeakPolarHBondContact CZ-O 3.43Å; F150-I257 VanDerWaalsContact CD1-O 3.3Å; F150-I257 WeakPolarHBondContact CD1-O 3.34Å; F150-I257 VanDerWaalsContact CE1-O 3.22Å; F150-I257 WeakPolarHBondContact CE1-O 3.16Å; F150-R259 HydrophobicContact CB-CG 4.38Å; F150-R259 HydrophobicContact CD2-CG 4.1Å; F150-R259 VanDerWaalsContact O-CZ 3.28Å; F150-R259 PolarHBondContact O-NE 3.43Å; F150-R259 PolarHBondContact O-NH2 3.29Å; F150-M262 HydrophobicContact CB-CE 4.3Å; F150-M262 HydrophobicContact CB-SD 3.57Å; F150-M262 VanDerWaalsContact CB-SD 3.57Å; F150-M262 HydrophobicContact CG-SD 4.49Å | ||
| 151 | A | 79.2 | Confident | 90.4 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | trans | -70.3 | 133.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 152 | S | 69.3 | Low | 90.5 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 64% | 0.636 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -87.7 | -18 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | R259 | S152-R259 PolarHBondContact OG-NH1 3.43Å; S152-R259 PolarHBondContact OG-NH2 3.24Å |
| 153 | E | 80.2 | Confident | 90.7 | Very high | 169 Ų | 169 | 56.4 Ų | 56.4 | 79% | 0.79 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -98.9 | 128.6 | -179.3 | -67.4 | 175 | -164.8 | 0 | 0 | 109 | ||
| 154 | I | 86.9 | Confident | 90.7 | Very high | 124 Ų | 124 | 59.5 Ų | 59.5 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 133.6 | 172.7 | -59.9 | 169.4 | 0 | 0 | 0 | 107.2 | K238 | I154-K238 HydrophobicContact CG2-CB 4.12Å; I154-K238 HydrophobicContact CG2-CG 4.16Å |
| 155 | N | 91.9 | Very high | 90.7 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.9 | 179.3 | -59.5 | -41.4 | 0 | 0 | 0 | 110.9 | V157 D195 F196 F237 K238 G240 | N155-V157 PolarHBondContact O-N 3.38Å; N155-D195 HydrophobicContact CB-CB 4.31Å; N155-F196 HydrophobicContact CB-CD2 3.81Å; N155-F196 HydrophobicContact CB-CE2 3.86Å; N155-F196 VanDerWaalsContact ND2-CE2 3.35Å; N155-F196 WeakPolarHBondContact ND2-CE2 3.47Å; N155-F237 WeakPolarHBondContact CB-O 3.35Å; N155-F237 PolarHBondContact ND2-O 3.07Å; N155-K238 PolarHBondContact N-O 3.46Å; N155-K238 PolarHBondContact ND2-O 2.96Å; N155-G240 PolarHBondContact ND2-O 3.06Å |
| 156 | K | 93.9 | Very high | 90.8 | Very high | 122 Ų | 122 | 61.8 Ų | 61.8 | 53% | 0.53 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 123.8 | 171.3 | -64 | 177.1 | -174.7 | 174.4 | 0 | 108 | A176 V194 D195 F196 | K156-A176 HydrophobicContact CB-CB 4.11Å; K156-A176 HydrophobicContact CG-CB 4.49Å; K156-V194 VanDerWaalsContact C-CG1 3.49Å; K156-V194 HydrophobicContact CB-CG1 4.1Å; K156-V194 WeakPolarHBondContact O-CG1 3.34Å; K156-D195 PolarHBondContact N-OD2 2.95Å; K156-D195 WeakPolarHBondContact O-CB 3.24Å; K156-D195 PolarHBondContact O-N 3.22Å; K156-D195 VanDerWaalsContact O-N 3.09Å; K156-F196 PolarHBondContact O-N 2.82Å |
| 157 | V | 95.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.8 | 179.4 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | N155 A176 F196 V198 L234 F237 K238 | N155-V157 PolarHBondContact O-N 3.38Å; V157-A176 PolarHBondContact O-N 2.95Å; V157-F196 WeakPolarHBondContact CA-O 3.39Å; V157-F196 HydrophobicContact CG1-CB 4.32Å; V157-F196 HydrophobicContact CG2-CB 4.33Å; V157-V198 HydrophobicContact CG1-CB 4.41Å; V157-V198 HydrophobicContact CG1-CG2 3.64Å; V157-L234 HydrophobicContact CB-CD2 3.91Å; V157-L234 HydrophobicContact CG1-CD2 3.72Å; V157-F237 HydrophobicContact CG1-CB 4.26Å; V157-F237 HydrophobicContact CG2-CB 3.81Å; V157-K238 HydrophobicContact CG2-CG 4.21Å |
| 158 | A | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | F177 L183 V194 F196 Y197 V198 | A158-F177 CarbonylContact C-O 3.58Å; A158-F177 VanDerWaalsContact CA-O 3.29Å; A158-F177 WeakPolarHBondContact CA-O 3.3Å; A158-F177 HydrophobicContact CB-CB 4.39Å; A158-L183 HydrophobicContact CB-CD2 4.38Å; A158-V194 HydrophobicContact CB-CB 4.3Å; A158-V194 HydrophobicContact CB-CG1 3.79Å; A158-V194 HydrophobicContact CB-CG2 3.99Å; A158-F196 PolarHBondContact N-O 2.75Å; A158-Y197 HydrophobicContact CB-CD1 4.06Å; A158-Y197 HydrophobicContact CB-CE1 4.42Å; A158-V198 PolarHBondContact O-N 3.07Å |
| 159 | V | 96.7 | Very high | 91 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.6 | -178.5 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | T161 A170 A175 F177 A178 G179 V198 I230 L234 | V159-T161 HydrophobicContact CG1-CG2 3.8Å; V159-A170 HydrophobicContact CB-CB 3.97Å; V159-A170 HydrophobicContact CG1-CB 4.02Å; V159-A170 HydrophobicContact CG2-CB 4.03Å; V159-A175 HydrophobicContact CG2-CB 3.88Å; V159-F177 PolarHBondContact N-O 3.27Å; V159-A178 HydrophobicContact CB-CB 4.48Å; V159-A178 WeakPolarHBondContact O-CA 3.35Å; V159-G179 PolarHBondContact O-N 2.93Å; V159-G179 VanDerWaalsContact O-N 3.09Å; V159-V198 CarbonylContact C-O 3.57Å; V159-V198 WeakPolarHBondContact CA-O 3.46Å; V159-V198 HydrophobicContact CG2-CB 4.37Å; V159-I230 HydrophobicContact CG1-CD1 4.49Å; V159-I230 HydrophobicContact CG1-CG2 4Å; V159-I230 HydrophobicContact CG2-CG2 4.37Å; V159-L234 HydrophobicContact CG2-CD1 4.25Å; V159-L234 HydrophobicContact CG2-CD2 3.58Å; V159-L234 HydrophobicContact CG2-CG 4.09Å |
| 160 | F | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.4 | 175.7 | -64.5 | -76 | 0 | 0 | 0 | 110.8 | G179 L183 I184 I187 Y197 V198 A199 V200 I203 L207 L210 | F160-G179 VanDerWaalsContact CA-O 3.32Å; F160-G179 WeakPolarHBondContact CA-O 3.28Å; F160-L183 HydrophobicContact CD1-CB 4.44Å; F160-L183 HydrophobicContact CD1-CD2 3.98Å; F160-L183 HydrophobicContact CD1-CG 4.37Å; F160-L183 HydrophobicContact CE1-CB 4.14Å; F160-L183 HydrophobicContact CE1-CD2 3.82Å; F160-L183 HydrophobicContact CE1-CG 3.84Å; F160-L183 HydrophobicContact CZ-CD2 4.49Å; F160-I184 HydrophobicContact CD1-CG1 4.13Å; F160-I184 HydrophobicContact CE1-CG1 3.88Å; F160-I187 HydrophobicContact CE1-CD1 3.87Å; F160-I187 HydrophobicContact CE2-CD1 4.45Å; F160-I187 HydrophobicContact CZ-CD1 3.38Å; F160-Y197 AromaticContact CE2-CD1 3.6Å; F160-Y197 HydrophobicContact CE2-CD1 3.6Å; F160-Y197 HydrophobicContact CE2-CG 4.2Å; F160-Y197 HydrophobicContact CZ-CD1 4.06Å; F160-V198 PolarHBondContact N-O 2.73Å; F160-A199 HydrophobicContact CB-CB 4.08Å; F160-A199 WeakPolarHBondContact O-CA 3.35Å; F160-V200 PolarHBondContact O-N 3.34Å; F160-I203 HydrophobicContact CB-CD1 4.26Å; F160-I203 HydrophobicContact CB-CG2 3.79Å; F160-I203 WeakPolarHBondContact O-CG2 3.15Å; F160-L207 HydrophobicContact CD1-CD1 3.8Å; F160-L207 HydrophobicContact CD2-CD1 3.77Å; F160-L207 HydrophobicContact CD2-CD2 4.04Å; F160-L207 HydrophobicContact CE1-CD1 3.68Å; F160-L207 HydrophobicContact CE2-CD1 3.62Å; F160-L207 HydrophobicContact CE2-CD2 4.23Å; F160-L207 HydrophobicContact CG-CD1 3.83Å; F160-L207 HydrophobicContact CZ-CD1 3.56Å; F160-L210 HydrophobicContact CZ-CD1 4.4Å |
| 161 | T | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | trans | -150.1 | 140.5 | -177.8 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | V159 E166 V167 G179 G180 V200 I230 | V159-T161 HydrophobicContact CG1-CG2 3.8Å; T161-E166 HydrophobicContact CG2-CB 3.71Å; T161-V167 WeakPolarHBondContact OG1-CG2 3.28Å; T161-G179 PolarHBondContact N-O 2.86Å; T161-G179 VanDerWaalsContact N-O 3.08Å; T161-G179 CarbonylContact O-C 3.42Å; T161-G180 WeakPolarHBondContact O-CA 3.37Å; T161-G180 PolarHBondContact O-N 2.68Å; T161-V200 HydrophobicContact CG2-CB 4.3Å; T161-V200 HydrophobicContact CG2-CG2 3.54Å; T161-I230 HydrophobicContact CG2-CD1 3.66Å | ||
| 162 | E | 92.1 | Very high | 92.1 | Very high | 100 Ų | 100 | 66.8 Ų | 66.8 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -85.6 | -28.7 | 170.6 | -72.6 | 176.8 | -162.1 | 0 | 0 | 111.9 | A164 I203 | E162-A164 PolarHBondContact O-N 3.07Å; E162-I203 HydrophobicContact CG-CB 4.06Å; E162-I203 HydrophobicContact CG-CD1 3.95Å; E162-I203 HydrophobicContact CG-CG1 4.04Å |
| 163 | N | 93.6 | Very high | 93.2 | Very high | 64 Ų | 64 | 65.1 Ų | 65.1 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | trans | -77.3 | 123.5 | -175 | -62.3 | -53.2 | 0 | 0 | 0 | 111.9 | S165 E166 V167 E202 | N163-S165 PolarHBondContact O-N 3.43Å; N163-E166 HydrophobicContact CB-CB 4.11Å; N163-E166 HydrophobicContact CB-CG 3.91Å; N163-E166 PolarHBondContact ND2-OE2 3Å; N163-E166 VanDerWaalsContact ND2-OE2 3.15Å; N163-E166 PolarHBondContact O-N 3.25Å; N163-E166 VanDerWaalsContact O-N 3.08Å; N163-V167 WeakPolarHBondContact O-CG2 3.48Å; N163-V167 PolarHBondContact O-N 2.66Å; N163-V167 VanDerWaalsContact O-N 3.13Å; N163-E202 PolarHBondContact ND2-OE2 2.87Å | ||
| 164 | A | 91.9 | Very high | 93.7 | Very high | 72 Ų | 72 | 59 Ų | 59 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.9 | -29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E162 K168 | E162-A164 PolarHBondContact O-N 3.07Å; A164-K168 WeakPolarHBondContact O-CG 3.13Å; A164-K168 PolarHBondContact O-N 3.28Å |
| 165 | S | 93.4 | Very high | 94 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -68 | -40.3 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 112 | N163 K168 I169 | N163-S165 PolarHBondContact O-N 3.43Å; S165-K168 PolarHBondContact O-N 2.9Å; S165-I169 WeakPolarHBondContact O-CG1 3.34Å; S165-I169 PolarHBondContact O-N 3.38Å; S165-I169 VanDerWaalsContact O-N 3.13Å |
| 166 | E | 93.9 | Very high | 94.1 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -34.9 | 178.9 | -70.7 | 178.6 | 163.5 | 0 | 0 | 111.9 | T161 N163 I169 A170 I230 | T161-E166 HydrophobicContact CG2-CB 3.71Å; N163-E166 HydrophobicContact CB-CB 4.11Å; N163-E166 HydrophobicContact CB-CG 3.91Å; N163-E166 PolarHBondContact ND2-OE2 3Å; N163-E166 VanDerWaalsContact ND2-OE2 3.15Å; N163-E166 PolarHBondContact O-N 3.25Å; N163-E166 VanDerWaalsContact O-N 3.08Å; E166-I169 PolarHBondContact O-N 3.01Å; E166-A170 WeakPolarHBondContact O-CB 3.29Å; E166-A170 PolarHBondContact O-N 2.98Å; E166-I230 HydrophobicContact CB-CD1 3.57Å; E166-I230 HydrophobicContact CG-CD1 3.89Å |
| 167 | V | 94.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 172.2 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | T161 N163 I169 A170 E171 A178 | T161-V167 WeakPolarHBondContact OG1-CG2 3.28Å; N163-V167 WeakPolarHBondContact O-CG2 3.48Å; N163-V167 PolarHBondContact O-N 2.66Å; N163-V167 VanDerWaalsContact O-N 3.13Å; V167-I169 VanDerWaalsContact C-N 3.34Å; V167-I169 PolarHBondContact O-N 3.13Å; V167-A170 WeakPolarHBondContact O-CB 3.44Å; V167-A170 PolarHBondContact O-N 3.39Å; V167-A170 VanDerWaalsContact O-N 3.12Å; V167-E171 HydrophobicContact CG1-CG 4.46Å; V167-E171 WeakPolarHBondContact O-CG 3.46Å; V167-E171 PolarHBondContact O-N 3.39Å; V167-A178 HydrophobicContact CG1-CB 3.93Å |
| 168 | K | 94.4 | Very high | 94.2 | Very high | 132 Ų | 132 | 53.1 Ų | 53.1 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 178.5 | -69.2 | 177.6 | -178.9 | -176.7 | 0 | 111.8 | A164 S165 A170 E171 E172 | A164-K168 WeakPolarHBondContact O-CG 3.13Å; A164-K168 PolarHBondContact O-N 3.28Å; S165-K168 PolarHBondContact O-N 2.9Å; K168-A170 VanDerWaalsContact C-N 3.3Å; K168-A170 PolarHBondContact O-N 3.47Å; K168-E171 PolarHBondContact O-N 2.85Å; K168-E172 WeakPolarHBondContact O-CB 3.5Å; K168-E172 VanDerWaalsContact O-CG 3.28Å; K168-E172 WeakPolarHBondContact O-CG 3.23Å; K168-E172 PolarHBondContact O-N 3.26Å |
| 169 | I | 94.8 | Very high | 94.1 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.8 | -66.5 | 166.1 | 0 | 0 | 0 | 110.3 | S165 E166 V167 N173 P231 | S165-I169 WeakPolarHBondContact O-CG1 3.34Å; S165-I169 PolarHBondContact O-N 3.38Å; S165-I169 VanDerWaalsContact O-N 3.13Å; E166-I169 PolarHBondContact O-N 3.01Å; V167-I169 VanDerWaalsContact C-N 3.34Å; V167-I169 PolarHBondContact O-N 3.13Å; I169-N173 WeakPolarHBondContact O-CB 2.91Å; I169-N173 PolarHBondContact O-N 3.14Å; I169-N173 PolarHBondContact O-ND2 3.47Å; I169-P231 HydrophobicContact CG2-CG 3.82Å |
| 170 | A | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V159 E166 V167 K168 N173 G174 A175 A178 I230 L234 | V159-A170 HydrophobicContact CB-CB 3.97Å; V159-A170 HydrophobicContact CG1-CB 4.02Å; V159-A170 HydrophobicContact CG2-CB 4.03Å; E166-A170 WeakPolarHBondContact O-CB 3.29Å; E166-A170 PolarHBondContact O-N 2.98Å; V167-A170 WeakPolarHBondContact O-CB 3.44Å; V167-A170 PolarHBondContact O-N 3.39Å; V167-A170 VanDerWaalsContact O-N 3.12Å; K168-A170 VanDerWaalsContact C-N 3.3Å; K168-A170 PolarHBondContact O-N 3.47Å; A170-N173 CarbonylContact O-C 3.58Å; A170-N173 PolarHBondContact O-N 2.77Å; A170-G174 PolarHBondContact O-N 3.46Å; A170-A175 HydrophobicContact CB-CB 4.09Å; A170-A175 WeakPolarHBondContact O-CB 3.22Å; A170-A175 PolarHBondContact O-N 2.8Å; A170-A178 HydrophobicContact CB-CB 3.77Å; A170-I230 HydrophobicContact CB-CG2 4.01Å; A170-L234 HydrophobicContact CB-CD1 4.36Å |
| 171 | E | 94 | Very high | 93.6 | Very high | 114 Ų | 114 | 58.2 Ų | 58.2 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.6 | -70.4 | 177.2 | 167.1 | 0 | 0 | 111.9 | V167 K168 N173 G174 A178 | V167-E171 HydrophobicContact CG1-CG 4.46Å; V167-E171 WeakPolarHBondContact O-CG 3.46Å; V167-E171 PolarHBondContact O-N 3.39Å; K168-E171 PolarHBondContact O-N 2.85Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 2.79Å; E171-G174 WeakPolarHBondContact O-CA 3.09Å; E171-G174 PolarHBondContact O-N 3.12Å; E171-A178 HydrophobicContact CG-CB 4.01Å |
| 172 | E | 94.1 | Very high | 93.5 | Very high | 155 Ų | 155 | 61.9 Ų | 61.9 | 72% | 0.724 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.8 | -36.9 | 176.4 | -73.5 | 171.6 | -173 | 0 | 0 | 112.2 | K168 G174 | K168-E172 WeakPolarHBondContact O-CB 3.5Å; K168-E172 VanDerWaalsContact O-CG 3.28Å; K168-E172 WeakPolarHBondContact O-CG 3.23Å; K168-E172 PolarHBondContact O-N 3.26Å; E172-G174 PolarHBondContact O-N 3.43Å |
| 173 | N | 93.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 9.8 | 175.4 | -74.4 | -86.1 | 0 | 0 | 0 | 112.6 | I169 A170 E171 L234 K238 | I169-N173 WeakPolarHBondContact O-CB 2.91Å; I169-N173 PolarHBondContact O-N 3.14Å; I169-N173 PolarHBondContact O-ND2 3.47Å; A170-N173 CarbonylContact O-C 3.58Å; A170-N173 PolarHBondContact O-N 2.77Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 2.79Å; N173-L234 HydrophobicContact CB-CD1 3.73Å; N173-K238 WeakPolarHBondContact O-CE 3.34Å; N173-K238 PolarHBondContact O-NZ 3.01Å |
| 174 | G | 90.2 | Very high | 93.6 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 37.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A170 E171 E172 K238 | A170-G174 PolarHBondContact O-N 3.46Å; E171-G174 WeakPolarHBondContact O-CA 3.09Å; E171-G174 PolarHBondContact O-N 3.12Å; E172-G174 PolarHBondContact O-N 3.43Å; G174-K238 VanDerWaalsContact C-NZ 3.35Å; G174-K238 WeakPolarHBondContact O-CE 3.48Å; G174-K238 PolarHBondContact O-NZ 3.48Å |
| 175 | A | 93.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | trans | -61.1 | 142.1 | 162 | 0 | 0 | 0 | 0 | 0 | 109.8 | V159 A170 F177 L234 | V159-A175 HydrophobicContact CG2-CB 3.88Å; A170-A175 HydrophobicContact CB-CB 4.09Å; A170-A175 WeakPolarHBondContact O-CB 3.22Å; A170-A175 PolarHBondContact O-N 2.8Å; A175-F177 VanDerWaalsContact C-N 3.34Å; A175-L234 HydrophobicContact CB-CD1 4.17Å; A175-L234 HydrophobicContact CB-CD2 4.02Å | ||
| 176 | A | 94.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -70.5 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K156 V157 | K156-A176 HydrophobicContact CB-CB 4.11Å; K156-A176 HydrophobicContact CG-CB 4.49Å; V157-A176 PolarHBondContact O-N 2.95Å |
| 177 | F | 94.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136.2 | 176.2 | -56.9 | -81.9 | 0 | 0 | 0 | 109 | A158 V159 A175 L183 I192 V194 | A158-F177 CarbonylContact C-O 3.58Å; A158-F177 VanDerWaalsContact CA-O 3.29Å; A158-F177 WeakPolarHBondContact CA-O 3.3Å; A158-F177 HydrophobicContact CB-CB 4.39Å; V159-F177 PolarHBondContact N-O 3.27Å; A175-F177 VanDerWaalsContact C-N 3.34Å; F177-L183 HydrophobicContact CB-CD1 3.81Å; F177-L183 HydrophobicContact CB-CD2 4.21Å; F177-L183 HydrophobicContact CG-CD1 4.42Å; F177-I192 HydrophobicContact CD1-CD1 3.93Å; F177-I192 HydrophobicContact CD1-CG2 4.35Å; F177-I192 HydrophobicContact CD2-CG2 3.5Å; F177-I192 VanDerWaalsContact CD2-CG2 3.5Å; F177-I192 HydrophobicContact CE1-CD1 4.09Å; F177-I192 HydrophobicContact CE1-CG1 4.39Å; F177-I192 HydrophobicContact CE1-CG2 4.18Å; F177-I192 HydrophobicContact CE2-CG2 3.31Å; F177-I192 HydrophobicContact CG-CD1 4.28Å; F177-I192 HydrophobicContact CG-CG2 4.04Å; F177-I192 HydrophobicContact CZ-CG1 4.49Å; F177-I192 HydrophobicContact CZ-CG2 3.68Å; F177-V194 HydrophobicContact CD2-CG2 4.03Å; F177-V194 HydrophobicContact CE2-CG2 4.36Å |
| 178 | A | 95.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | V159 V167 A170 E171 | V159-A178 HydrophobicContact CB-CB 4.48Å; V159-A178 WeakPolarHBondContact O-CA 3.35Å; V167-A178 HydrophobicContact CG1-CB 3.93Å; A170-A178 HydrophobicContact CB-CB 3.77Å; E171-A178 HydrophobicContact CG-CB 4.01Å |
| 179 | G | 94.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V159 F160 T161 | V159-G179 PolarHBondContact O-N 2.93Å; V159-G179 VanDerWaalsContact O-N 3.09Å; F160-G179 VanDerWaalsContact CA-O 3.32Å; F160-G179 WeakPolarHBondContact CA-O 3.28Å; T161-G179 PolarHBondContact N-O 2.86Å; T161-G179 VanDerWaalsContact N-O 3.08Å; T161-G179 CarbonylContact O-C 3.42Å |
| 180 | G | 92.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -104.3 | -127.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T161 S182 L183 I184 | T161-G180 WeakPolarHBondContact O-CA 3.37Å; T161-G180 PolarHBondContact O-N 2.68Å; G180-S182 PolarHBondContact O-N 3.18Å; G180-L183 WeakPolarHBondContact O-CB 3.32Å; G180-L183 PolarHBondContact O-N 3.38Å; G180-I184 PolarHBondContact O-N 3.47Å |
| 181 | T | 91.2 | Very high | 93.3 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -51.4 | -37.2 | 176.2 | 49.6 | 0 | 0 | 0 | 0 | 114.7 | L183 I184 Q185 E206 | T181-L183 VanDerWaalsContact C-N 3.28Å; T181-L183 PolarHBondContact O-N 3.3Å; T181-I184 WeakPolarHBondContact O-CB 3.34Å; T181-I184 PolarHBondContact O-N 3.41Å; T181-Q185 PolarHBondContact O-N 2.79Å; T181-E206 VanDerWaalsContact CG2-CD 3.46Å; T181-E206 WeakPolarHBondContact CG2-OE1 3.46Å; T181-E206 WeakPolarHBondContact CG2-OE2 3.4Å |
| 182 | S | 92.3 | Very high | 93.2 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 178.8 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | G180 K186 | G180-S182 PolarHBondContact O-N 3.18Å; S182-K186 WeakPolarHBondContact O-CG 3.46Å; S182-K186 PolarHBondContact O-N 3.41Å |
| 183 | L | 94 | Very high | 93 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.5 | -35.3 | 178.5 | -171.7 | 61.4 | 0 | 0 | 0 | 111.7 | A158 F160 F177 G180 T181 Q185 K186 I187 I192 | A158-L183 HydrophobicContact CB-CD2 4.38Å; F160-L183 HydrophobicContact CD1-CB 4.44Å; F160-L183 HydrophobicContact CD1-CD2 3.98Å; F160-L183 HydrophobicContact CD1-CG 4.37Å; F160-L183 HydrophobicContact CE1-CB 4.14Å; F160-L183 HydrophobicContact CE1-CD2 3.82Å; F160-L183 HydrophobicContact CE1-CG 3.84Å; F160-L183 HydrophobicContact CZ-CD2 4.49Å; F177-L183 HydrophobicContact CB-CD1 3.81Å; F177-L183 HydrophobicContact CB-CD2 4.21Å; F177-L183 HydrophobicContact CG-CD1 4.42Å; G180-L183 WeakPolarHBondContact O-CB 3.32Å; G180-L183 PolarHBondContact O-N 3.38Å; T181-L183 VanDerWaalsContact C-N 3.28Å; T181-L183 PolarHBondContact O-N 3.3Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.43Å; L183-K186 PolarHBondContact O-N 3.03Å; L183-I187 HydrophobicContact CD1-CD1 4.45Å; L183-I187 HydrophobicContact CG-CD1 4.06Å; L183-I187 WeakPolarHBondContact O-CG1 3.3Å; L183-I187 PolarHBondContact O-N 3.12Å; L183-I187 VanDerWaalsContact O-N 3.1Å; L183-I192 HydrophobicContact CD1-CD1 3.56Å |
| 184 | I | 93.1 | Very high | 93 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.5 | -63.7 | 179.5 | 0 | 0 | 0 | 110.5 | F160 G180 T181 I187 W188 E206 L207 L210 | F160-I184 HydrophobicContact CD1-CG1 4.13Å; F160-I184 HydrophobicContact CE1-CG1 3.88Å; G180-I184 PolarHBondContact O-N 3.47Å; T181-I184 WeakPolarHBondContact O-CB 3.34Å; T181-I184 PolarHBondContact O-N 3.41Å; I184-I187 PolarHBondContact O-N 3.21Å; I184-W188 WeakPolarHBondContact O-CB 3.4Å; I184-W188 PolarHBondContact O-N 3.13Å; I184-E206 HydrophobicContact CD1-CB 3.88Å; I184-L207 HydrophobicContact CD1-CD1 4.07Å; I184-L207 HydrophobicContact CG1-CD1 3.95Å; I184-L210 HydrophobicContact CB-CD1 4.19Å; I184-L210 HydrophobicContact CG1-CD1 4.3Å; I184-L210 HydrophobicContact CG2-CD1 3.72Å; I184-L210 HydrophobicContact CG2-CG 3.94Å |
| 185 | Q | 93.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 59 Ų | 59 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 179.5 | -172.2 | 60.8 | 34.6 | 0 | 0 | 111.8 | T181 L183 I187 W188 D189 | T181-Q185 PolarHBondContact O-N 2.79Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.43Å; Q185-I187 VanDerWaalsContact C-N 3.28Å; Q185-I187 PolarHBondContact O-N 3.31Å; Q185-W188 CarbonylContact O-C 3.59Å; Q185-W188 WeakPolarHBondContact O-CA 3.18Å; Q185-W188 VanDerWaalsContact O-CB 3.29Å; Q185-W188 WeakPolarHBondContact O-CB 3.21Å; Q185-W188 PolarHBondContact O-N 3.4Å; Q185-D189 PolarHBondContact NE2-OD1 2.81Å; Q185-D189 PolarHBondContact NE2-OD2 2.85Å; Q185-D189 PolarHBondContact O-N 3.39Å |
| 186 | K | 94.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 178.1 | -65.5 | -172.3 | 178.6 | -168.9 | 0 | 113.2 | S182 L183 D189 D190 E191 I192 | S182-K186 WeakPolarHBondContact O-CG 3.46Å; S182-K186 PolarHBondContact O-N 3.41Å; L183-K186 PolarHBondContact O-N 3.03Å; K186-D189 PolarHBondContact O-N 3.47Å; K186-D190 PolarHBondContact O-N 2.8Å; K186-E191 HydrophobicContact CB-CB 4.41Å; K186-E191 WeakPolarHBondContact CD-OE2 3.32Å; K186-E191 VanDerWaalsContact CG-OE2 3.27Å; K186-E191 WeakPolarHBondContact CG-OE2 3.46Å; K186-E191 PolarHBondContact O-N 2.82Å; K186-I192 HydrophobicContact CB-CD1 3.6Å; K186-I192 HydrophobicContact CB-CG1 4.04Å; K186-I192 HydrophobicContact CD-CD1 3.63Å; K186-I192 HydrophobicContact CD-CG1 4.45Å; K186-I192 HydrophobicContact CG-CD1 4.28Å |
| 187 | I | 94.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.5 | -34.5 | 175 | -66.4 | 163.9 | 0 | 0 | 0 | 110.6 | F160 L183 I184 Q185 D189 D190 I192 Y197 L210 K213 L214 | F160-I187 HydrophobicContact CE1-CD1 3.87Å; F160-I187 HydrophobicContact CE2-CD1 4.45Å; F160-I187 HydrophobicContact CZ-CD1 3.38Å; L183-I187 HydrophobicContact CD1-CD1 4.45Å; L183-I187 HydrophobicContact CG-CD1 4.06Å; L183-I187 WeakPolarHBondContact O-CG1 3.3Å; L183-I187 PolarHBondContact O-N 3.12Å; L183-I187 VanDerWaalsContact O-N 3.1Å; I184-I187 PolarHBondContact O-N 3.21Å; Q185-I187 VanDerWaalsContact C-N 3.28Å; Q185-I187 PolarHBondContact O-N 3.31Å; I187-D189 VanDerWaalsContact C-N 3.26Å; I187-D189 PolarHBondContact O-N 2.72Å; I187-D190 PolarHBondContact O-N 2.95Å; I187-I192 HydrophobicContact CG1-CB 4.35Å; I187-Y197 HydrophobicContact CD1-CD1 4.42Å; I187-Y197 HydrophobicContact CD1-CE1 3.83Å; I187-L210 HydrophobicContact CB-CD1 4.32Å; I187-L210 HydrophobicContact CG2-CD1 4.15Å; I187-L210 HydrophobicContact CG2-CD2 4.03Å; I187-K213 WeakPolarHBondContact O-CE 3.3Å; I187-K213 PolarHBondContact O-NZ 3.27Å; I187-L214 HydrophobicContact CG2-CD2 4.3Å |
| 188 | W | 91.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 173 | -171.7 | -88 | 0 | 0 | 0 | 112.3 | I184 Q185 D190 R209 L210 K213 | I184-W188 WeakPolarHBondContact O-CB 3.4Å; I184-W188 PolarHBondContact O-N 3.13Å; Q185-W188 CarbonylContact O-C 3.59Å; Q185-W188 WeakPolarHBondContact O-CA 3.18Å; Q185-W188 VanDerWaalsContact O-CB 3.29Å; Q185-W188 WeakPolarHBondContact O-CB 3.21Å; Q185-W188 PolarHBondContact O-N 3.4Å; W188-D190 VanDerWaalsContact C-N 3.31Å; W188-D190 PolarHBondContact O-N 2.77Å; W188-R209 WeakPolarHBondContact CZ3-O 3.46Å; W188-L210 HydrophobicContact CB-CD2 4.36Å; W188-L210 HydrophobicContact CE3-CD2 3.76Å; W188-K213 VanDerWaalsContact C-NZ 3.25Å; W188-K213 PolarHBondContact O-NZ 3.01Å |
| 189 | D | 93.4 | Very high | 93.2 | Very high | 96 Ų | 96 | 52.6 Ų | 52.6 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 5.8 | 179.9 | -60.6 | -29.2 | 0 | 0 | 0 | 113.4 | Q185 K186 I187 E191 | Q185-D189 PolarHBondContact NE2-OD1 2.81Å; Q185-D189 PolarHBondContact NE2-OD2 2.85Å; Q185-D189 PolarHBondContact O-N 3.39Å; K186-D189 PolarHBondContact O-N 3.47Å; I187-D189 VanDerWaalsContact C-N 3.26Å; I187-D189 PolarHBondContact O-N 2.72Å; D189-E191 PolarHBondContact O-N 3.45Å |
| 190 | D | 92.4 | Very high | 93.3 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 23.1 | -179.5 | -66.8 | -53.8 | 0 | 0 | 0 | 114.7 | K186 I187 W188 I192 K213 | K186-D190 PolarHBondContact O-N 2.8Å; I187-D190 PolarHBondContact O-N 2.95Å; W188-D190 VanDerWaalsContact C-N 3.31Å; W188-D190 PolarHBondContact O-N 2.77Å; D190-I192 VanDerWaalsContact C-N 3.31Å; D190-K213 WeakPolarHBondContact OD1-CE 3.47Å; D190-K213 IonicContact OD1-NZ 3.6Å; D190-K213 PolarHBondContact OD1-NZ 2.95Å; D190-K213 IonicContact OD2-NZ 2.81Å; D190-K213 PolarHBondContact OD2-NZ 2.89Å |
| 191 | E | 93.7 | Very high | 93.4 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | trans | -71.4 | -30.5 | 176.6 | -168 | -173.8 | -174.1 | 0 | 0 | 111.6 | K186 D189 | K186-E191 HydrophobicContact CB-CB 4.41Å; K186-E191 WeakPolarHBondContact CD-OE2 3.32Å; K186-E191 VanDerWaalsContact CG-OE2 3.27Å; K186-E191 WeakPolarHBondContact CG-OE2 3.46Å; K186-E191 PolarHBondContact O-N 2.82Å; D189-E191 PolarHBondContact O-N 3.45Å | ||
| 192 | I | 91.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | trans | -121.1 | 127.4 | -174.1 | -55.3 | 175.4 | 0 | 0 | 0 | 110.6 | F177 L183 K186 I187 D190 V194 | F177-I192 HydrophobicContact CD1-CD1 3.93Å; F177-I192 HydrophobicContact CD1-CG2 4.35Å; F177-I192 HydrophobicContact CD2-CG2 3.5Å; F177-I192 VanDerWaalsContact CD2-CG2 3.5Å; F177-I192 HydrophobicContact CE1-CD1 4.09Å; F177-I192 HydrophobicContact CE1-CG1 4.39Å; F177-I192 HydrophobicContact CE1-CG2 4.18Å; F177-I192 HydrophobicContact CE2-CG2 3.31Å; F177-I192 HydrophobicContact CG-CD1 4.28Å; F177-I192 HydrophobicContact CG-CG2 4.04Å; F177-I192 HydrophobicContact CZ-CG1 4.49Å; F177-I192 HydrophobicContact CZ-CG2 3.68Å; L183-I192 HydrophobicContact CD1-CD1 3.56Å; K186-I192 HydrophobicContact CB-CD1 3.6Å; K186-I192 HydrophobicContact CB-CG1 4.04Å; K186-I192 HydrophobicContact CD-CD1 3.63Å; K186-I192 HydrophobicContact CD-CG1 4.45Å; K186-I192 HydrophobicContact CG-CD1 4.28Å; I187-I192 HydrophobicContact CG1-CB 4.35Å; D190-I192 VanDerWaalsContact C-N 3.31Å; I192-V194 HydrophobicContact CG2-CG2 3.5Å; I192-V194 VanDerWaalsContact CG2-CG2 3.5Å | ||
| 193 | V | 88.9 | Confident | 93.6 | Very high | 113 Ų | 113 | 51.2 Ų | 51.2 | 69% | 0.685 | 25% | 0.254 | S | S | * | . | trans | -113.2 | 126.1 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | V | 92.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -137.6 | 151.3 | -173.5 | -164.2 | 0 | 0 | 0 | 0 | 109.8 | K156 A158 F177 I192 F196 Y197 | K156-V194 VanDerWaalsContact C-CG1 3.49Å; K156-V194 HydrophobicContact CB-CG1 4.1Å; K156-V194 WeakPolarHBondContact O-CG1 3.34Å; A158-V194 HydrophobicContact CB-CB 4.3Å; A158-V194 HydrophobicContact CB-CG1 3.79Å; A158-V194 HydrophobicContact CB-CG2 3.99Å; F177-V194 HydrophobicContact CD2-CG2 4.03Å; F177-V194 HydrophobicContact CE2-CG2 4.36Å; I192-V194 HydrophobicContact CG2-CG2 3.5Å; I192-V194 VanDerWaalsContact CG2-CG2 3.5Å; V194-F196 WeakPolarHBondContact CG1-O 3.45Å; V194-Y197 HydrophobicContact CB-CE1 4.05Å; V194-Y197 HydrophobicContact CG2-CE1 4.35Å | ||
| 195 | D | 92.6 | Very high | 93.6 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -83.1 | -50.1 | -178.4 | -54.5 | -48.1 | 0 | 0 | 0 | 110.8 | N155 K156 | N155-D195 HydrophobicContact CB-CB 4.31Å; K156-D195 PolarHBondContact N-OD2 2.95Å; K156-D195 WeakPolarHBondContact O-CB 3.24Å; K156-D195 PolarHBondContact O-N 3.22Å; K156-D195 VanDerWaalsContact O-N 3.09Å |
| 196 | F | 94.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.1 | -179.5 | -61.9 | -78.3 | 0 | 0 | 0 | 113 | V143 N155 K156 V157 A158 V194 F237 E242 | V143-F196 HydrophobicContact CG1-CE1 4.28Å; V143-F196 HydrophobicContact CG1-CZ 4.38Å; V143-F196 HydrophobicContact CG2-CD1 4.26Å; V143-F196 HydrophobicContact CG2-CE1 3.54Å; V143-F196 HydrophobicContact CG2-CZ 4.29Å; N155-F196 HydrophobicContact CB-CD2 3.81Å; N155-F196 HydrophobicContact CB-CE2 3.86Å; N155-F196 VanDerWaalsContact ND2-CE2 3.35Å; N155-F196 WeakPolarHBondContact ND2-CE2 3.47Å; K156-F196 PolarHBondContact O-N 2.82Å; V157-F196 WeakPolarHBondContact CA-O 3.39Å; V157-F196 HydrophobicContact CG1-CB 4.32Å; V157-F196 HydrophobicContact CG2-CB 4.33Å; A158-F196 PolarHBondContact N-O 2.75Å; V194-F196 WeakPolarHBondContact CG1-O 3.45Å; F196-F237 HydrophobicContact CB-CB 4.13Å; F196-F237 HydrophobicContact CB-CD1 4Å; F196-F237 HydrophobicContact CB-CG 4.22Å; F196-F237 AromaticContact CD1-CD1 3.65Å; F196-F237 HydrophobicContact CD1-CD1 3.65Å; F196-F237 HydrophobicContact CD1-CE1 4.13Å; F196-F237 HydrophobicContact CD2-CB 4.4Å; F196-F237 HydrophobicContact CD2-CD1 4.43Å; F196-F237 HydrophobicContact CE1-CD1 4.25Å; F196-F237 HydrophobicContact CG-CB 4.24Å; F196-F237 AromaticContact CG-CD1 3.75Å; F196-F237 HydrophobicContact CG-CD1 3.75Å; F196-F237 HydrophobicContact CG-CG 4.33Å; F196-E242 HydrophobicContact CE1-CB 4.35Å; F196-E242 HydrophobicContact CZ-CB 4.07Å |
| 197 | Y | 94.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.2 | 176.4 | -58.7 | -77.8 | 0 | 0 | 0 | 109.1 | A158 F160 I187 V194 L214 R217 S225 | A158-Y197 HydrophobicContact CB-CD1 4.06Å; A158-Y197 HydrophobicContact CB-CE1 4.42Å; F160-Y197 AromaticContact CE2-CD1 3.6Å; F160-Y197 HydrophobicContact CE2-CD1 3.6Å; F160-Y197 HydrophobicContact CE2-CG 4.2Å; F160-Y197 HydrophobicContact CZ-CD1 4.06Å; I187-Y197 HydrophobicContact CD1-CD1 4.42Å; I187-Y197 HydrophobicContact CD1-CE1 3.83Å; V194-Y197 HydrophobicContact CB-CE1 4.05Å; V194-Y197 HydrophobicContact CG2-CE1 4.35Å; Y197-L214 HydrophobicContact CD2-CD1 4.18Å; Y197-L214 HydrophobicContact CD2-CD2 4.24Å; Y197-L214 HydrophobicContact CE1-CD2 4.34Å; Y197-L214 HydrophobicContact CE2-CD1 4.3Å; Y197-L214 HydrophobicContact CE2-CD2 3.55Å; Y197-L214 HydrophobicContact CE2-CG 4.47Å; Y197-L214 HydrophobicContact CG-CD1 4.32Å; Y197-R217 HydrophobicContact CD2-CB 4.18Å; Y197-R217 HydrophobicContact CE2-CB 4.13Å; Y197-S225 WeakPolarHBondContact O-CB 3.4Å |
| 198 | V | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.4 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | V157 A158 V159 F160 S225 M233 F237 | V157-V198 HydrophobicContact CG1-CB 4.41Å; V157-V198 HydrophobicContact CG1-CG2 3.64Å; A158-V198 PolarHBondContact O-N 3.07Å; V159-V198 CarbonylContact C-O 3.57Å; V159-V198 WeakPolarHBondContact CA-O 3.46Å; V159-V198 HydrophobicContact CG2-CB 4.37Å; F160-V198 PolarHBondContact N-O 2.73Å; V198-S225 WeakPolarHBondContact CA-O 3.1Å; V198-M233 HydrophobicContact CG1-CB 3.97Å; V198-M233 HydrophobicContact CG1-CE 3.51Å; V198-M233 HydrophobicContact CG1-SD 3.78Å; V198-F237 HydrophobicContact CG2-CD2 3.45Å; V198-F237 VanDerWaalsContact CG2-CD2 3.45Å; V198-F237 HydrophobicContact CG2-CE2 3.87Å; V198-F237 HydrophobicContact CG2-CG 4.22Å |
| 199 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F160 I203 M204 L207 P219 S225 I226 G227 | F160-A199 HydrophobicContact CB-CB 4.08Å; F160-A199 WeakPolarHBondContact O-CA 3.35Å; A199-I203 HydrophobicContact CB-CG2 4.38Å; A199-M204 HydrophobicContact CB-CE 3.52Å; A199-M204 HydrophobicContact CB-SD 4.36Å; A199-L207 HydrophobicContact CB-CD2 4.29Å; A199-P219 HydrophobicContact CB-CB 4.12Å; A199-P219 HydrophobicContact CB-CG 4.15Å; A199-S225 PolarHBondContact N-O 3.34Å; A199-I226 VanDerWaalsContact O-CA 3.28Å; A199-I226 WeakPolarHBondContact O-CA 3.39Å; A199-G227 PolarHBondContact O-N 3.39Å |
| 200 | V | 95.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | trans | -80.7 | 146.2 | 165 | 175.1 | 0 | 0 | 0 | 0 | 109 | F160 T161 E202 I203 I230 | F160-V200 PolarHBondContact O-N 3.34Å; T161-V200 HydrophobicContact CG2-CB 4.3Å; T161-V200 HydrophobicContact CG2-CG2 3.54Å; V200-E202 HydrophobicContact CG1-CB 4.31Å; V200-E202 HydrophobicContact CG1-CG 4.32Å; V200-E202 PolarHBondContact O-N 3.16Å; V200-E202 VanDerWaalsContact O-N 3.1Å; V200-I203 WeakPolarHBondContact O-CG2 3.32Å; V200-I203 PolarHBondContact O-N 3.31Å; V200-I230 HydrophobicContact CG2-CD1 4.03Å; V200-I230 HydrophobicContact CG2-CG1 4.19Å | ||
| 201 | P | 94.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -55.2 | -30 | -178.5 | -28.2 | 34.9 | 0 | 0 | 0 | 114.9 | I203 M204 I226 | P201-I203 PolarHBondContact O-N 3.3Å; P201-M204 WeakPolarHBondContact O-CB 3.48Å; P201-M204 WeakPolarHBondContact O-CG 3.21Å; P201-M204 PolarHBondContact O-N 3.36Å; P201-I226 HydrophobicContact CB-CG2 4.49Å; P201-I226 HydrophobicContact CG-CG2 3.86Å |
| 202 | E | 93.8 | Very high | 93.3 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -63.3 | -41.1 | -175.1 | -66.3 | 173.2 | -174.5 | 0 | 0 | 112.5 | N163 V200 M204 P205 | N163-E202 PolarHBondContact ND2-OE2 2.87Å; V200-E202 HydrophobicContact CG1-CB 4.31Å; V200-E202 HydrophobicContact CG1-CG 4.32Å; V200-E202 PolarHBondContact O-N 3.16Å; V200-E202 VanDerWaalsContact O-N 3.1Å; E202-M204 VanDerWaalsContact C-N 3.31Å; E202-M204 PolarHBondContact O-N 2.99Å; E202-P205 WeakPolarHBondContact O-CD 3.24Å |
| 203 | I | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -83.4 | -2.7 | -178.3 | -165.4 | 161.6 | 0 | 0 | 0 | 113.9 | F160 E162 A199 V200 P201 E206 L207 | F160-I203 HydrophobicContact CB-CD1 4.26Å; F160-I203 HydrophobicContact CB-CG2 3.79Å; F160-I203 WeakPolarHBondContact O-CG2 3.15Å; E162-I203 HydrophobicContact CG-CB 4.06Å; E162-I203 HydrophobicContact CG-CD1 3.95Å; E162-I203 HydrophobicContact CG-CG1 4.04Å; A199-I203 HydrophobicContact CB-CG2 4.38Å; V200-I203 WeakPolarHBondContact O-CG2 3.32Å; V200-I203 PolarHBondContact O-N 3.31Å; P201-I203 PolarHBondContact O-N 3.3Å; I203-E206 HydrophobicContact CG1-CB 4.33Å; I203-E206 PolarHBondContact O-N 3.02Å; I203-L207 PolarHBondContact O-N 2.96Å; I203-L207 VanDerWaalsContact O-N 3.09Å |
| 204 | M | 93.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 54.9 Ų | 54.9 | 14% | 0.138 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -38.3 | -178.1 | -69.6 | -81.7 | 73.4 | 0 | 0 | 115.5 | A199 P201 E202 E206 L207 N208 F218 P219 I226 | A199-M204 HydrophobicContact CB-CE 3.52Å; A199-M204 HydrophobicContact CB-SD 4.36Å; P201-M204 WeakPolarHBondContact O-CB 3.48Å; P201-M204 WeakPolarHBondContact O-CG 3.21Å; P201-M204 PolarHBondContact O-N 3.36Å; E202-M204 VanDerWaalsContact C-N 3.31Å; E202-M204 PolarHBondContact O-N 2.99Å; M204-E206 VanDerWaalsContact C-N 3.26Å; M204-E206 PolarHBondContact O-N 3.43Å; M204-L207 HydrophobicContact CE-CB 3.7Å; M204-L207 HydrophobicContact CE-CD2 3.21Å; M204-L207 HydrophobicContact CE-CG 4.04Å; M204-L207 PolarHBondContact O-N 3.12Å; M204-N208 PolarHBondContact O-N 3.44Å; M204-N208 VanDerWaalsContact O-N 3.16Å; M204-N208 PolarHBondContact O-ND2 2.77Å; M204-F218 HydrophobicContact CE-CZ 4.25Å; M204-P219 HydrophobicContact CE-CB 4.49Å; M204-I226 HydrophobicContact SD-CD1 3.42Å; M204-I226 WeakPolarHBondContact SD-CD1 3.29Å; M204-I226 HydrophobicContact SD-CG1 3.96Å |
| 205 | P | 93.6 | Very high | 93.3 | Very high | 90 Ų | 90 | 56.6 Ų | 56.6 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57 | -40.3 | 176.2 | -25.1 | 36.4 | 0 | 0 | 0 | 112.6 | E202 N208 | E202-P205 WeakPolarHBondContact O-CD 3.24Å; P205-N208 WeakPolarHBondContact O-CB 3.38Å |
| 206 | E | 92.9 | Very high | 93 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74 | -41.3 | 179.1 | -55 | -166.9 | 140.8 | 0 | 0 | 111.8 | T181 I184 I203 M204 N208 R209 | T181-E206 VanDerWaalsContact CG2-CD 3.46Å; T181-E206 WeakPolarHBondContact CG2-OE1 3.46Å; T181-E206 WeakPolarHBondContact CG2-OE2 3.4Å; I184-E206 HydrophobicContact CD1-CB 3.88Å; I203-E206 HydrophobicContact CG1-CB 4.33Å; I203-E206 PolarHBondContact O-N 3.02Å; M204-E206 VanDerWaalsContact C-N 3.26Å; M204-E206 PolarHBondContact O-N 3.43Å; E206-N208 PolarHBondContact O-N 3.31Å; E206-R209 WeakPolarHBondContact O-CG 3.46Å; E206-R209 PolarHBondContact O-N 2.78Å |
| 207 | L | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -20.6 | -179.4 | -159.6 | 74.3 | 0 | 0 | 0 | 113 | F160 I184 A199 I203 M204 R209 L210 F218 P219 | F160-L207 HydrophobicContact CD1-CD1 3.8Å; F160-L207 HydrophobicContact CD2-CD1 3.77Å; F160-L207 HydrophobicContact CD2-CD2 4.04Å; F160-L207 HydrophobicContact CE1-CD1 3.68Å; F160-L207 HydrophobicContact CE2-CD1 3.62Å; F160-L207 HydrophobicContact CE2-CD2 4.23Å; F160-L207 HydrophobicContact CG-CD1 3.83Å; F160-L207 HydrophobicContact CZ-CD1 3.56Å; I184-L207 HydrophobicContact CD1-CD1 4.07Å; I184-L207 HydrophobicContact CG1-CD1 3.95Å; A199-L207 HydrophobicContact CB-CD2 4.29Å; I203-L207 PolarHBondContact O-N 2.96Å; I203-L207 VanDerWaalsContact O-N 3.09Å; M204-L207 HydrophobicContact CE-CB 3.7Å; M204-L207 HydrophobicContact CE-CD2 3.21Å; M204-L207 HydrophobicContact CE-CG 4.04Å; M204-L207 PolarHBondContact O-N 3.12Å; L207-R209 PolarHBondContact O-N 3Å; L207-L210 HydrophobicContact CD1-CD1 3.83Å; L207-L210 WeakPolarHBondContact O-CB 3.44Å; L207-L210 PolarHBondContact O-N 2.83Å; L207-F218 HydrophobicContact CB-CE2 4.35Å; L207-F218 HydrophobicContact CD2-CD2 4.43Å; L207-F218 HydrophobicContact CD2-CE2 3.83Å; L207-F218 HydrophobicContact CD2-CZ 4.34Å; L207-F218 HydrophobicContact CG-CE2 3.9Å; L207-P219 HydrophobicContact CD2-CG 3.7Å |
| 208 | N | 93.1 | Very high | 92.7 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -54.7 | -26.1 | 176.9 | -78 | -41.9 | 0 | 0 | 0 | 113.5 | M204 P205 E206 L210 R211 | M204-N208 PolarHBondContact O-N 3.44Å; M204-N208 VanDerWaalsContact O-N 3.16Å; M204-N208 PolarHBondContact O-ND2 2.77Å; P205-N208 WeakPolarHBondContact O-CB 3.38Å; E206-N208 PolarHBondContact O-N 3.31Å; N208-L210 PolarHBondContact O-N 3.12Å; N208-R211 WeakPolarHBondContact O-CB 3.21Å; N208-R211 PolarHBondContact O-N 3.18Å; N208-R211 VanDerWaalsContact O-N 3.1Å |
| 209 | R | 91.6 | Very high | 92.5 | Very high | 194 Ų | 194 | 62.2 Ų | 62.2 | 73% | 0.732 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -57.6 | -38.4 | 173.3 | -63.5 | 179.2 | -178.2 | 176.4 | 3.3 | 111.7 | W188 E206 L207 R211 | W188-R209 WeakPolarHBondContact CZ3-O 3.46Å; E206-R209 WeakPolarHBondContact O-CG 3.46Å; E206-R209 PolarHBondContact O-N 2.78Å; L207-R209 PolarHBondContact O-N 3Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-R211 PolarHBondContact O-N 2.96Å |
| 210 | L | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -80 | -4.7 | 179.2 | -74.8 | 173.3 | 0 | 0 | 0 | 114.2 | F160 I184 I187 W188 L207 N208 K212 K213 L214 | F160-L210 HydrophobicContact CZ-CD1 4.4Å; I184-L210 HydrophobicContact CB-CD1 4.19Å; I184-L210 HydrophobicContact CG1-CD1 4.3Å; I184-L210 HydrophobicContact CG2-CD1 3.72Å; I184-L210 HydrophobicContact CG2-CG 3.94Å; I187-L210 HydrophobicContact CB-CD1 4.32Å; I187-L210 HydrophobicContact CG2-CD1 4.15Å; I187-L210 HydrophobicContact CG2-CD2 4.03Å; W188-L210 HydrophobicContact CB-CD2 4.36Å; W188-L210 HydrophobicContact CE3-CD2 3.76Å; L207-L210 HydrophobicContact CD1-CD1 3.83Å; L207-L210 WeakPolarHBondContact O-CB 3.44Å; L207-L210 PolarHBondContact O-N 2.83Å; N208-L210 PolarHBondContact O-N 3.12Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.42Å; L210-K213 HydrophobicContact CD2-CB 4.36Å; L210-K213 HydrophobicContact CD2-CD 4.15Å; L210-K213 PolarHBondContact O-N 2.8Å; L210-L214 HydrophobicContact CB-CD1 3.99Å; L210-L214 HydrophobicContact CB-CG 4.11Å; L210-L214 HydrophobicContact CD1-CD1 4.47Å; L210-L214 PolarHBondContact O-N 3.12Å |
| 211 | R | 92.6 | Very high | 92.1 | Very high | 155 Ų | 155 | 72.8 Ų | 72.8 | 59% | 0.585 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.8 | -41.2 | -174.7 | -176 | 174.5 | 175.3 | 167.9 | -1.5 | 113.4 | N208 R209 G215 F218 | N208-R211 WeakPolarHBondContact O-CB 3.21Å; N208-R211 PolarHBondContact O-N 3.18Å; N208-R211 VanDerWaalsContact O-N 3.1Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-R211 PolarHBondContact O-N 2.96Å; R211-G215 PolarHBondContact O-N 2.99Å; R211-G215 VanDerWaalsContact O-N 3.07Å; R211-F218 HydrophobicContact CB-CD2 4.19Å; R211-F218 HydrophobicContact CB-CE2 4.22Å; R211-F218 HydrophobicContact CG-CG 4.47Å |
| 212 | K | 92 | Very high | 91.7 | Very high | 201 Ų | 201 | 74.7 Ų | 74.7 | 87% | 0.874 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 177.2 | -71.4 | -173.3 | 179.2 | -179 | 0 | 112 | L210 | L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.42Å |
| 213 | K | 92.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 71.4 Ų | 71.4 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.8 | -46.4 | -178.2 | -169.1 | 172.2 | -168.9 | 176.7 | 0 | 112.1 | I187 W188 D190 L210 | I187-K213 WeakPolarHBondContact O-CE 3.3Å; I187-K213 PolarHBondContact O-NZ 3.27Å; W188-K213 VanDerWaalsContact C-NZ 3.25Å; W188-K213 PolarHBondContact O-NZ 3.01Å; D190-K213 WeakPolarHBondContact OD1-CE 3.47Å; D190-K213 IonicContact OD1-NZ 3.6Å; D190-K213 PolarHBondContact OD1-NZ 2.95Å; D190-K213 IonicContact OD2-NZ 2.81Å; D190-K213 PolarHBondContact OD2-NZ 2.89Å; L210-K213 HydrophobicContact CD2-CB 4.36Å; L210-K213 HydrophobicContact CD2-CD 4.15Å; L210-K213 PolarHBondContact O-N 2.8Å |
| 214 | L | 90.9 | Very high | 91.1 | Very high | 17 Ų | 17 | 76.7 Ų | 76.7 | 9% | 0.089 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -79.1 | -26 | -177.9 | -62.1 | -177.6 | 0 | 0 | 0 | 113.1 | I187 Y197 L210 K216 R217 F218 | I187-L214 HydrophobicContact CG2-CD2 4.3Å; Y197-L214 HydrophobicContact CD2-CD1 4.18Å; Y197-L214 HydrophobicContact CD2-CD2 4.24Å; Y197-L214 HydrophobicContact CE1-CD2 4.34Å; Y197-L214 HydrophobicContact CE2-CD1 4.3Å; Y197-L214 HydrophobicContact CE2-CD2 3.55Å; Y197-L214 HydrophobicContact CE2-CG 4.47Å; Y197-L214 HydrophobicContact CG-CD1 4.32Å; L210-L214 HydrophobicContact CB-CD1 3.99Å; L210-L214 HydrophobicContact CB-CG 4.11Å; L210-L214 HydrophobicContact CD1-CD1 4.47Å; L210-L214 PolarHBondContact O-N 3.12Å; L214-K216 PolarHBondContact O-N 3.39Å; L214-K216 VanDerWaalsContact O-N 3.09Å; L214-R217 WeakPolarHBondContact O-CA 3.39Å; L214-R217 WeakPolarHBondContact O-CB 3.49Å; L214-R217 PolarHBondContact O-N 2.95Å; L214-F218 HydrophobicContact CB-CB 4.07Å; L214-F218 HydrophobicContact CD1-CD2 4.33Å |
| 215 | G | 90.4 | Very high | 91 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | 55.1 | -115.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R211 R217 F218 | R211-G215 PolarHBondContact O-N 2.99Å; R211-G215 VanDerWaalsContact O-N 3.07Å; G215-R217 VanDerWaalsContact C-N 3.31Å; G215-F218 WeakPolarHBondContact O-CB 3.18Å; G215-F218 PolarHBondContact O-N 2.88Å |
| 216 | K | 85.9 | Confident | 91.1 | Very high | 80 Ų | 80 | 72.7 Ų | 72.7 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -70.9 | -23.8 | 177.2 | -68.9 | -178.8 | 178 | 174.3 | 0 | 113.3 | L214 F218 R223 E247 | L214-K216 PolarHBondContact O-N 3.39Å; L214-K216 VanDerWaalsContact O-N 3.09Å; K216-F218 VanDerWaalsContact C-N 3.28Å; K216-F218 PolarHBondContact O-N 3.34Å; K216-R223 PolarHBondContact O-NH1 3Å; K216-R223 PolarHBondContact O-NH2 3.49Å; K216-R223 VanDerWaalsContact O-NH2 3.13Å; K216-E247 VanDerWaalsContact CE-OE1 3.32Å; K216-E247 WeakPolarHBondContact CE-OE1 3.29Å; K216-E247 IonicContact NZ-OE1 3.59Å; K216-E247 PolarHBondContact NZ-OE1 2.78Å |
| 217 | R | 89.2 | Confident | 91.2 | Very high | 116 Ų | 116 | 70.5 Ų | 70.5 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -76.8 | -12 | 177 | -62.1 | -172.7 | 178 | -174.7 | -0.9 | 113.3 | Y197 L214 G215 R223 | Y197-R217 HydrophobicContact CD2-CB 4.18Å; Y197-R217 HydrophobicContact CE2-CB 4.13Å; L214-R217 WeakPolarHBondContact O-CA 3.39Å; L214-R217 WeakPolarHBondContact O-CB 3.49Å; L214-R217 PolarHBondContact O-N 2.95Å; G215-R217 VanDerWaalsContact C-N 3.31Å; R217-R223 PolarHBondContact O-NH2 2.99Å |
| 218 | F | 92.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 79.2 Ų | 79.2 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -57.9 | 131.8 | 178.6 | -177.4 | -98.2 | 0 | 0 | 0 | 112.5 | M204 L207 R211 L214 G215 K216 R220 R223 | M204-F218 HydrophobicContact CE-CZ 4.25Å; L207-F218 HydrophobicContact CB-CE2 4.35Å; L207-F218 HydrophobicContact CD2-CD2 4.43Å; L207-F218 HydrophobicContact CD2-CE2 3.83Å; L207-F218 HydrophobicContact CD2-CZ 4.34Å; L207-F218 HydrophobicContact CG-CE2 3.9Å; R211-F218 HydrophobicContact CB-CD2 4.19Å; R211-F218 HydrophobicContact CB-CE2 4.22Å; R211-F218 HydrophobicContact CG-CG 4.47Å; L214-F218 HydrophobicContact CB-CB 4.07Å; L214-F218 HydrophobicContact CD1-CD2 4.33Å; G215-F218 WeakPolarHBondContact O-CB 3.18Å; G215-F218 PolarHBondContact O-N 2.88Å; K216-F218 VanDerWaalsContact C-N 3.28Å; K216-F218 PolarHBondContact O-N 3.34Å; F218-R220 WeakPolarHBondContact O-CG 3.45Å; F218-R220 PolarHBondContact O-N 3.08Å; F218-R223 VanDerWaalsContact C-NH2 3.28Å; F218-R223 PolarHBondContact O-NH2 3.31Å |
| 219 | P | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | trans | -52 | 133.5 | -179.6 | -27.6 | 35 | 0 | 0 | 0 | 113.1 | A199 M204 L207 S225 I226 | A199-P219 HydrophobicContact CB-CB 4.12Å; A199-P219 HydrophobicContact CB-CG 4.15Å; M204-P219 HydrophobicContact CE-CB 4.49Å; L207-P219 HydrophobicContact CD2-CG 3.7Å; P219-S225 WeakPolarHBondContact CA-OG 3.17Å; P219-I226 HydrophobicContact CB-CD1 4.31Å; P219-I226 HydrophobicContact CB-CG1 3.84Å | ||
| 220 | R | 91.9 | Very high | 91.3 | Very high | 120 Ų | 120 | 70.5 Ų | 70.5 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | trans | -136.7 | 145.5 | 177.7 | -65.7 | -178.8 | -173.4 | -147.1 | 2.5 | 110.6 | F218 S222 R223 N224 S225 | F218-R220 WeakPolarHBondContact O-CG 3.45Å; F218-R220 PolarHBondContact O-N 3.08Å; R220-S222 VanDerWaalsContact C-N 3.26Å; R220-S222 PolarHBondContact O-N 3.32Å; R220-R223 HydrophobicContact CB-CG 4.43Å; R220-R223 PolarHBondContact O-N 2.93Å; R220-R223 VanDerWaalsContact O-N 3.14Å; R220-N224 PolarHBondContact O-N 3.49Å; R220-S225 PolarHBondContact N-OG 3.33Å; R220-S225 PolarHBondContact O-N 2.98Å; R220-S225 PolarHBondContact O-OG 3.13Å | ||
| 221 | V | 90.3 | Very high | 91.4 | Very high | 105 Ų | 105 | 72.7 Ų | 72.7 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -60.7 | -39.9 | 172 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | R223 N224 I226 | V221-R223 PolarHBondContact O-N 3.32Å; V221-N224 PolarHBondContact O-N 3.05Å; V221-I226 HydrophobicContact CG2-CB 4.17Å; V221-I226 HydrophobicContact CG2-CD1 4.01Å; V221-I226 HydrophobicContact CG2-CG2 4.41Å |
| 222 | S | 85.3 | Confident | 91.4 | Very high | 99 Ų | 99 | 71.7 Ų | 71.7 | 69% | 0.692 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -61.3 | -18.9 | 178 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | R220 | R220-S222 VanDerWaalsContact C-N 3.26Å; R220-S222 PolarHBondContact O-N 3.32Å |
| 223 | R | 86.3 | Confident | 91.6 | Very high | 25 Ų | 25 | 63 Ų | 63 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -104.6 | 7.9 | 177.3 | -63.4 | -167 | -61.9 | 155.7 | 7.3 | 112.4 | T141 K216 R217 F218 R220 V221 S225 F237 | T141-R223 WeakPolarHBondContact O-CD 3.32Å; K216-R223 PolarHBondContact O-NH1 3Å; K216-R223 PolarHBondContact O-NH2 3.49Å; K216-R223 VanDerWaalsContact O-NH2 3.13Å; R217-R223 PolarHBondContact O-NH2 2.99Å; F218-R223 VanDerWaalsContact C-NH2 3.28Å; F218-R223 PolarHBondContact O-NH2 3.31Å; R220-R223 HydrophobicContact CB-CG 4.43Å; R220-R223 PolarHBondContact O-N 2.93Å; R220-R223 VanDerWaalsContact O-N 3.14Å; V221-R223 PolarHBondContact O-N 3.32Å; R223-S225 PolarHBondContact O-N 3.27Å; R223-S225 VanDerWaalsContact O-N 3.12Å; R223-F237 WeakPolarHBondContact O-CZ 3.34Å |
| 224 | N | 89.8 | Confident | 91.6 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 26.1 | -175.4 | -54.9 | -38 | 0 | 0 | 0 | 114.2 | R220 V221 F237 | R220-N224 PolarHBondContact O-N 3.49Å; V221-N224 PolarHBondContact O-N 3.05Å; N224-F237 WeakPolarHBondContact O-CE2 3.44Å |
| 225 | S | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | trans | -95.2 | -0.3 | 178.9 | 52 | 0 | 0 | 0 | 0 | 113.4 | Y197 V198 A199 P219 R220 R223 | Y197-S225 WeakPolarHBondContact O-CB 3.4Å; V198-S225 WeakPolarHBondContact CA-O 3.1Å; A199-S225 PolarHBondContact N-O 3.34Å; P219-S225 WeakPolarHBondContact CA-OG 3.17Å; R220-S225 PolarHBondContact N-OG 3.33Å; R220-S225 PolarHBondContact O-N 2.98Å; R220-S225 PolarHBondContact O-OG 3.13Å; R223-S225 PolarHBondContact O-N 3.27Å; R223-S225 VanDerWaalsContact O-N 3.12Å | ||
| 226 | I | 95.1 | Very high | 91.8 | Very high | 33 Ų | 33 | 66 Ų | 66 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 123.7 | 174.8 | -60.1 | 172.1 | 0 | 0 | 0 | 107.6 | A199 P201 M204 P219 V221 | A199-I226 VanDerWaalsContact O-CA 3.28Å; A199-I226 WeakPolarHBondContact O-CA 3.39Å; P201-I226 HydrophobicContact CB-CG2 4.49Å; P201-I226 HydrophobicContact CG-CG2 3.86Å; M204-I226 HydrophobicContact SD-CD1 3.42Å; M204-I226 WeakPolarHBondContact SD-CD1 3.29Å; M204-I226 HydrophobicContact SD-CG1 3.96Å; P219-I226 HydrophobicContact CB-CD1 4.31Å; P219-I226 HydrophobicContact CB-CG1 3.84Å; V221-I226 HydrophobicContact CG2-CB 4.17Å; V221-I226 HydrophobicContact CG2-CD1 4.01Å; V221-I226 HydrophobicContact CG2-CG2 4.41Å |
| 227 | G | 93.8 | Very high | 92.2 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | trans | -178 | 174 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | A199 M233 | A199-G227 PolarHBondContact O-N 3.39Å; G227-M233 WeakPolarHBondContact O-CE 3.39Å | ||
| 228 | R | 92.9 | Very high | 92.2 | Very high | 183 Ų | 183 | 59.1 Ų | 59.1 | 69% | 0.691 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -96.9 | -24.4 | 174.8 | -65.6 | 179.9 | 177.5 | 167.1 | -2 | 112.5 | I230 | R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 2.91Å |
| 229 | D | 94.4 | Very high | 92.1 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | trans | -80 | 73 | 179 | -72 | 2 | 0 | 0 | 0 | 110.9 | K232 M233 | D229-K232 HydrophobicContact CB-CB 4.27Å; D229-K232 HydrophobicContact CB-CD 4.1Å; D229-K232 HydrophobicContact CB-CG 4.37Å; D229-K232 PolarHBondContact O-N 3.35Å; D229-K232 IonicContact OD2-NZ 2.85Å; D229-K232 PolarHBondContact OD2-NZ 2.93Å; D229-M233 WeakPolarHBondContact O-CG 3.46Å; D229-M233 PolarHBondContact O-N 3.43Å; D229-M233 VanDerWaalsContact O-N 3.14Å | ||
| 230 | I | 94.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.9 | -46.1 | -178.5 | -59.9 | 166.2 | 0 | 0 | 0 | 112.8 | V159 T161 E166 A170 V200 R228 K232 M233 L234 | V159-I230 HydrophobicContact CG1-CD1 4.49Å; V159-I230 HydrophobicContact CG1-CG2 4Å; V159-I230 HydrophobicContact CG2-CG2 4.37Å; T161-I230 HydrophobicContact CG2-CD1 3.66Å; E166-I230 HydrophobicContact CB-CD1 3.57Å; E166-I230 HydrophobicContact CG-CD1 3.89Å; A170-I230 HydrophobicContact CB-CG2 4.01Å; V200-I230 HydrophobicContact CG2-CD1 4.03Å; V200-I230 HydrophobicContact CG2-CG1 4.19Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 2.91Å; I230-K232 PolarHBondContact O-N 3.39Å; I230-M233 HydrophobicContact CG1-CE 4.32Å; I230-M233 PolarHBondContact O-N 3.35Å; I230-L234 HydrophobicContact CG2-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CG 4.16Å; I230-L234 WeakPolarHBondContact O-CB 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 3.41Å |
| 231 | P | 94.4 | Very high | 92 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | -178.2 | -25 | 35.5 | 0 | 0 | 0 | 112.6 | I169 M233 L234 E235 | I169-P231 HydrophobicContact CG2-CG 3.82Å; P231-M233 PolarHBondContact O-N 2.96Å; P231-L234 PolarHBondContact O-N 3.32Å; P231-E235 WeakPolarHBondContact O-CG 3.43Å; P231-E235 PolarHBondContact O-N 3.48Å |
| 232 | K | 93.7 | Very high | 92 | Very high | 135 Ų | 135 | 57.4 Ų | 57.4 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 179.6 | -63.4 | -178.3 | -170.6 | 157.2 | 0 | 112 | D229 I230 L234 E235 F236 | D229-K232 HydrophobicContact CB-CB 4.27Å; D229-K232 HydrophobicContact CB-CD 4.1Å; D229-K232 HydrophobicContact CB-CG 4.37Å; D229-K232 PolarHBondContact O-N 3.35Å; D229-K232 IonicContact OD2-NZ 2.85Å; D229-K232 PolarHBondContact OD2-NZ 2.93Å; I230-K232 PolarHBondContact O-N 3.39Å; K232-L234 VanDerWaalsContact C-N 3.35Å; K232-E235 PolarHBondContact O-N 3.5Å; K232-F236 WeakPolarHBondContact O-CB 3.35Å; K232-F236 PolarHBondContact O-N 3.31Å; K232-F236 VanDerWaalsContact O-N 3.08Å |
| 233 | M | 94.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.2 | -69.9 | -173.2 | -65.4 | 0 | 0 | 110.9 | V198 G227 D229 I230 P231 F236 F237 | V198-M233 HydrophobicContact CG1-CB 3.97Å; V198-M233 HydrophobicContact CG1-CE 3.51Å; V198-M233 HydrophobicContact CG1-SD 3.78Å; G227-M233 WeakPolarHBondContact O-CE 3.39Å; D229-M233 WeakPolarHBondContact O-CG 3.46Å; D229-M233 PolarHBondContact O-N 3.43Å; D229-M233 VanDerWaalsContact O-N 3.14Å; I230-M233 HydrophobicContact CG1-CE 4.32Å; I230-M233 PolarHBondContact O-N 3.35Å; P231-M233 PolarHBondContact O-N 2.96Å; M233-F236 PolarHBondContact O-N 3.01Å; M233-F237 HydrophobicContact CB-CD2 4.45Å; M233-F237 WeakPolarHBondContact O-CD2 3.37Å; M233-F237 PolarHBondContact O-N 3.24Å |
| 234 | L | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.4 | -80.7 | 175 | 0 | 0 | 0 | 112 | V157 V159 A170 N173 A175 I230 P231 K232 F236 F237 K238 | V157-L234 HydrophobicContact CB-CD2 3.91Å; V157-L234 HydrophobicContact CG1-CD2 3.72Å; V159-L234 HydrophobicContact CG2-CD1 4.25Å; V159-L234 HydrophobicContact CG2-CD2 3.58Å; V159-L234 HydrophobicContact CG2-CG 4.09Å; A170-L234 HydrophobicContact CB-CD1 4.36Å; N173-L234 HydrophobicContact CB-CD1 3.73Å; A175-L234 HydrophobicContact CB-CD1 4.17Å; A175-L234 HydrophobicContact CB-CD2 4.02Å; I230-L234 HydrophobicContact CG2-CD1 3.8Å; I230-L234 HydrophobicContact CG2-CG 4.16Å; I230-L234 WeakPolarHBondContact O-CB 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.4Å; I230-L234 PolarHBondContact O-N 3.41Å; P231-L234 PolarHBondContact O-N 3.32Å; K232-L234 VanDerWaalsContact C-N 3.35Å; L234-F236 VanDerWaalsContact C-N 3.27Å; L234-F236 PolarHBondContact O-N 3.08Å; L234-F237 PolarHBondContact O-N 2.93Å; L234-K238 VanDerWaalsContact O-CB 3.23Å; L234-K238 WeakPolarHBondContact O-CB 3.33Å; L234-K238 WeakPolarHBondContact O-CG 3.49Å; L234-K238 PolarHBondContact O-N 2.91Å |
| 235 | E | 92.3 | Very high | 92.8 | Very high | 126 Ų | 126 | 52.2 Ų | 52.2 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -57.6 | -42.7 | 175.8 | -72.3 | 177.9 | 173.1 | 0 | 0 | 111.9 | P231 K232 | P231-E235 WeakPolarHBondContact O-CG 3.43Å; P231-E235 PolarHBondContact O-N 3.48Å; K232-E235 PolarHBondContact O-N 3.5Å |
| 236 | F | 92.7 | Very high | 92.5 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 178.6 | -179.1 | -100.9 | 0 | 0 | 0 | 112.7 | V143 K232 M233 L234 G240 | V143-F236 HydrophobicContact CB-CE1 4.14Å; V143-F236 HydrophobicContact CG1-CE1 3.92Å; V143-F236 HydrophobicContact CG1-CZ 4.34Å; V143-F236 WeakPolarHBondContact O-CZ 3.34Å; K232-F236 WeakPolarHBondContact O-CB 3.35Å; K232-F236 PolarHBondContact O-N 3.31Å; K232-F236 VanDerWaalsContact O-N 3.08Å; M233-F236 PolarHBondContact O-N 3.01Å; L234-F236 VanDerWaalsContact C-N 3.27Å; L234-F236 PolarHBondContact O-N 3.08Å; F236-G240 WeakPolarHBondContact O-CA 3.42Å; F236-G240 PolarHBondContact O-N 2.98Å |
| 237 | F | 93.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -78.2 | -26.8 | -177.2 | -74.4 | -69.9 | 0 | 0 | 0 | 113.7 | V143 N155 V157 F196 V198 R223 N224 M233 L234 N239 G240 | V143-F237 HydrophobicContact CB-CE1 4.17Å; V143-F237 HydrophobicContact CG1-CD1 4.1Å; V143-F237 HydrophobicContact CG1-CE1 4.14Å; V143-F237 HydrophobicContact CG2-CE1 4.05Å; N155-F237 WeakPolarHBondContact CB-O 3.35Å; N155-F237 PolarHBondContact ND2-O 3.07Å; V157-F237 HydrophobicContact CG1-CB 4.26Å; V157-F237 HydrophobicContact CG2-CB 3.81Å; F196-F237 HydrophobicContact CB-CB 4.13Å; F196-F237 HydrophobicContact CB-CD1 4Å; F196-F237 HydrophobicContact CB-CG 4.22Å; F196-F237 AromaticContact CD1-CD1 3.65Å; F196-F237 HydrophobicContact CD1-CD1 3.65Å; F196-F237 HydrophobicContact CD1-CE1 4.13Å; F196-F237 HydrophobicContact CD2-CB 4.4Å; F196-F237 HydrophobicContact CD2-CD1 4.43Å; F196-F237 HydrophobicContact CE1-CD1 4.25Å; F196-F237 HydrophobicContact CG-CB 4.24Å; F196-F237 AromaticContact CG-CD1 3.75Å; F196-F237 HydrophobicContact CG-CD1 3.75Å; F196-F237 HydrophobicContact CG-CG 4.33Å; V198-F237 HydrophobicContact CG2-CD2 3.45Å; V198-F237 VanDerWaalsContact CG2-CD2 3.45Å; V198-F237 HydrophobicContact CG2-CE2 3.87Å; V198-F237 HydrophobicContact CG2-CG 4.22Å; R223-F237 WeakPolarHBondContact O-CZ 3.34Å; N224-F237 WeakPolarHBondContact O-CE2 3.44Å; M233-F237 HydrophobicContact CB-CD2 4.45Å; M233-F237 WeakPolarHBondContact O-CD2 3.37Å; M233-F237 PolarHBondContact O-N 3.24Å; L234-F237 PolarHBondContact O-N 2.93Å; F237-N239 VanDerWaalsContact C-N 3.3Å; F237-N239 PolarHBondContact O-N 2.75Å; F237-G240 PolarHBondContact O-N 2.88Å |
| 238 | K | 90.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 174 | -82.7 | 175.6 | 171.5 | -159.2 | 0 | 112.6 | I154 N155 V157 N173 G174 L234 | I154-K238 HydrophobicContact CG2-CB 4.12Å; I154-K238 HydrophobicContact CG2-CG 4.16Å; N155-K238 PolarHBondContact N-O 3.46Å; N155-K238 PolarHBondContact ND2-O 2.96Å; V157-K238 HydrophobicContact CG2-CG 4.21Å; N173-K238 WeakPolarHBondContact O-CE 3.34Å; N173-K238 PolarHBondContact O-NZ 3.01Å; G174-K238 VanDerWaalsContact C-NZ 3.35Å; G174-K238 WeakPolarHBondContact O-CE 3.48Å; G174-K238 PolarHBondContact O-NZ 3.48Å; L234-K238 VanDerWaalsContact O-CB 3.23Å; L234-K238 WeakPolarHBondContact O-CB 3.33Å; L234-K238 WeakPolarHBondContact O-CG 3.49Å; L234-K238 PolarHBondContact O-N 2.91Å |
| 239 | N | 89.2 | Confident | 90.8 | Very high | 102 Ų | 102 | 65.9 Ų | 65.9 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -101.5 | 4.9 | 177.9 | -61.1 | -32.3 | 0 | 0 | 0 | 112.4 | F237 H241 | F237-N239 VanDerWaalsContact C-N 3.3Å; F237-N239 PolarHBondContact O-N 2.75Å; N239-H241 PolarHBondContact O-N 2.6Å |
| 240 | G | 90.2 | Very high | 90.2 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 128.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | N155 F236 F237 | N155-G240 PolarHBondContact ND2-O 3.06Å; F236-G240 WeakPolarHBondContact O-CA 3.42Å; F236-G240 PolarHBondContact O-N 2.98Å; F237-G240 PolarHBondContact O-N 2.88Å |
| 241 | H | 92.3 | Very high | 89.9 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 17% | 0.167 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.6 | 173.3 | -175 | 68.7 | 0 | 0 | 0 | 109.2 | V143 L144 L146 N239 T255 K256 | V143-H241 WeakPolarHBondContact CA-O 3.47Å; L144-H241 HydrophobicContact CD2-CB 3.99Å; L144-H241 VanDerWaalsContact CD2-O 3.28Å; L144-H241 WeakPolarHBondContact CD2-O 3.37Å; L144-H241 PolarHBondContact N-O 2.81Å; L144-H241 PolarHBondContact O-N 2.68Å; L146-H241 HydrophobicContact CD1-CB 3.91Å; L146-H241 HydrophobicContact CG-CB 4Å; N239-H241 PolarHBondContact O-N 2.6Å; H241-T255 PolarHBondContact NE2-OG1 3.26Å; H241-K256 PolarHBondContact CE1-O 3.14Å; H241-K256 PolarHBondContact NE2-O 3.36Å |
| 242 | E | 91.7 | Very high | 89.9 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.8 | 179.8 | -169.2 | 176.8 | -151.3 | 0 | 0 | 110.6 | T141 F196 | T141-E242 HydrophobicContact CG2-CG 3.76Å; T141-E242 WeakPolarHBondContact CG2-OE1 3.29Å; F196-E242 HydrophobicContact CE1-CB 4.35Å; F196-E242 HydrophobicContact CZ-CB 4.07Å |
| 243 | I | 92.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.6 | 168.4 | -57.8 | 166.6 | 0 | 0 | 0 | 108.6 | T141 S142 L144 L253 T255 V274 V278 | T141-I243 CarbonylContact C-O 3.55Å; T141-I243 WeakPolarHBondContact CA-O 3.48Å; S142-I243 PolarHBondContact N-O 2.94Å; S142-I243 PolarHBondContact O-N 2.76Å; L144-I243 HydrophobicContact CD1-CD1 4.16Å; L144-I243 HydrophobicContact CD2-CD1 3.27Å; L144-I243 HydrophobicContact CD2-CG1 3.61Å; L144-I243 HydrophobicContact CG-CD1 4.31Å; I243-L253 HydrophobicContact CG2-CD1 3.46Å; I243-L253 VanDerWaalsContact CG2-CD1 3.46Å; I243-L253 HydrophobicContact CG2-CD2 3.63Å; I243-L253 HydrophobicContact CG2-CG 3.63Å; I243-T255 HydrophobicContact CG1-CG2 4.48Å; I243-V274 HydrophobicContact CD1-CB 4.37Å; I243-V274 HydrophobicContact CD1-CG1 3.81Å; I243-V274 HydrophobicContact CD1-CG2 4.25Å; I243-V278 HydrophobicContact CD1-CG2 4.48Å; I243-V278 HydrophobicContact CG2-CG2 4.49Å |
| 244 | K | 92 | Very high | 89.9 | Confident | 121 Ų | 121 | 65.5 Ų | 65.5 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.7 | 176.7 | 65 | -179.1 | -175.3 | 177.5 | 0 | 110.7 | T141 | T141-K244 HydrophobicContact CG2-CB 4.34Å |
| 245 | V | 92 | Very high | 90 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | trans | -78.3 | 136.9 | 164.2 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | L127 M129 P139 F140 E250 L253 | L127-V245 HydrophobicContact CD1-CG2 3.99Å; M129-V245 HydrophobicContact CE-CG1 4.49Å; P139-V245 HydrophobicContact CB-CB 4.4Å; P139-V245 HydrophobicContact CB-CG1 4.45Å; F140-V245 HydrophobicContact CD1-CG2 3.89Å; F140-V245 HydrophobicContact CD2-CG2 4.44Å; F140-V245 HydrophobicContact CE1-CG2 3.62Å; F140-V245 HydrophobicContact CE2-CG2 4.21Å; F140-V245 HydrophobicContact CG-CG2 4.29Å; F140-V245 HydrophobicContact CZ-CG2 3.8Å; F140-V245 PolarHBondContact O-N 2.8Å; F140-V245 VanDerWaalsContact O-N 3.12Å; V245-E250 WeakPolarHBondContact CG1-O 3.26Å; V245-L253 HydrophobicContact CG2-CD1 4.25Å | ||
| 246 | D | 87.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 64 Ų | 64 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | trans | -62.5 | 135.7 | 179.2 | -81.5 | -9.4 | 0 | 0 | 0 | 111.2 | R249 E250 F252 | D246-R249 HydrophobicContact CB-CB 4.45Å; D246-E250 VanDerWaalsContact O-CA 3.24Å; D246-E250 WeakPolarHBondContact O-CA 3.38Å; D246-E250 PolarHBondContact O-N 3.33Å; D246-F252 WeakPolarHBondContact CB-O 3.49Å; D246-F252 PolarHBondContact N-O 2.88Å; D246-F252 VanDerWaalsContact OD2-CD1 3.29Å; D246-F252 WeakPolarHBondContact OD2-CD1 3.25Å | ||
| 247 | E | 79.9 | Confident | 90.2 | Very high | 131 Ų | 131 | 61.1 Ų | 61.1 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -33.2 | -177.2 | -54.3 | -166.8 | 157.8 | 0 | 0 | 112.2 | K216 | K216-E247 VanDerWaalsContact CE-OE1 3.32Å; K216-E247 WeakPolarHBondContact CE-OE1 3.29Å; K216-E247 IonicContact NZ-OE1 3.59Å; K216-E247 PolarHBondContact NZ-OE1 2.78Å |
| 248 | E | 83.9 | Confident | 90.3 | Very high | 185 Ų | 185 | 60.9 Ų | 60.9 | 86% | 0.864 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -40.9 | -177 | -61.2 | -176.5 | 173 | 0 | 0 | 112.4 | ||
| 249 | R | 81 | Confident | 90.4 | Very high | 161 Ų | 161 | 61.4 Ų | 61.4 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -13.8 | -174.2 | -65.2 | -178.8 | -178.6 | -174.5 | 0.7 | 112.5 | D246 N251 F252 | D246-R249 HydrophobicContact CB-CB 4.45Å; R249-N251 VanDerWaalsContact O-CG 3.29Å; R249-N251 PolarHBondContact O-N 2.89Å; R249-N251 PolarHBondContact O-OD1 2.81Å; R249-F252 HydrophobicContact CB-CB 3.92Å |
| 250 | E | 82 | Confident | 90.6 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 53% | 0.528 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 53 | -17.2 | 177.4 | -62.4 | -172.7 | 170.8 | 0 | 0 | 117.1 | M129 P139 V245 D246 | M129-E250 WeakPolarHBondContact CE-O 3.5Å; M129-E250 WeakPolarHBondContact CG-O 3.35Å; P139-E250 HydrophobicContact CG-CB 4.47Å; P139-E250 HydrophobicContact CG-CG 4.33Å; V245-E250 WeakPolarHBondContact CG1-O 3.26Å; D246-E250 VanDerWaalsContact O-CA 3.24Å; D246-E250 WeakPolarHBondContact O-CA 3.38Å; D246-E250 PolarHBondContact O-N 3.33Å |
| 251 | N | 88.1 | Confident | 90.7 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -121.9 | -0.9 | -177 | 69.9 | 4.2 | 0 | 0 | 0 | 112.7 | T126 L127 M129 R249 | T126-N251 CarbonylContact C-O 3.54Å; T126-N251 WeakPolarHBondContact CA-O 3.47Å; L127-N251 PolarHBondContact N-O 2.84Å; M129-N251 HydrophobicContact CG-CB 4.11Å; R249-N251 VanDerWaalsContact O-CG 3.29Å; R249-N251 PolarHBondContact O-N 2.89Å; R249-N251 PolarHBondContact O-OD1 2.81Å |
| 252 | F | 93.3 | Very high | 90.9 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 13% | 0.127 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.5 | -177.6 | -169.3 | -99.4 | 0 | 0 | 0 | 110 | D124 D246 R249 Q254 | D124-F252 HydrophobicContact CB-CE2 4.04Å; D124-F252 HydrophobicContact CB-CZ 3.69Å; D246-F252 WeakPolarHBondContact CB-O 3.49Å; D246-F252 PolarHBondContact N-O 2.88Å; D246-F252 VanDerWaalsContact OD2-CD1 3.29Å; D246-F252 WeakPolarHBondContact OD2-CD1 3.25Å; R249-F252 HydrophobicContact CB-CB 3.92Å; F252-Q254 HydrophobicContact CD1-CB 4.49Å; F252-Q254 HydrophobicContact CE1-CB 3.8Å |
| 253 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 117.9 | -180 | 176.8 | 169.8 | 0 | 0 | 0 | 107.4 | D124 L125 L127 I243 V245 T255 V278 | D124-L253 CarbonylContact C-O 3.53Å; D124-L253 WeakPolarHBondContact CA-O 3.42Å; L125-L253 HydrophobicContact CB-CB 4.32Å; L125-L253 HydrophobicContact CB-CD2 4.47Å; L125-L253 HydrophobicContact CD1-CD2 4.25Å; L125-L253 HydrophobicContact CG-CD2 4.41Å; L125-L253 PolarHBondContact N-O 2.91Å; L125-L253 PolarHBondContact O-N 3.31Å; L127-L253 HydrophobicContact CD1-CB 4.32Å; L127-L253 HydrophobicContact CD1-CD1 4.04Å; I243-L253 HydrophobicContact CG2-CD1 3.46Å; I243-L253 VanDerWaalsContact CG2-CD1 3.46Å; I243-L253 HydrophobicContact CG2-CD2 3.63Å; I243-L253 HydrophobicContact CG2-CG 3.63Å; V245-L253 HydrophobicContact CG2-CD1 4.25Å; L253-T255 HydrophobicContact CD2-CG2 3.92Å; L253-V278 HydrophobicContact CD1-CG1 4.41Å; L253-V278 HydrophobicContact CD1-CG2 3.7Å |
| 254 | Q | 94.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.4 | 173.5 | 168.3 | 164 | 71.2 | 0 | 0 | 109.4 | Y122 L123 D124 F252 R296 | Y122-Q254 HydrophobicContact CD1-CG 4.13Å; L123-Q254 WeakPolarHBondContact O-CA 3.35Å; D124-Q254 WeakPolarHBondContact OD1-CB 3.46Å; D124-Q254 WeakPolarHBondContact OD1-CG 3.4Å; D124-Q254 PolarHBondContact OD1-NE2 3.5Å; D124-Q254 PolarHBondContact OD2-NE2 3.38Å; F252-Q254 HydrophobicContact CD1-CB 4.49Å; F252-Q254 HydrophobicContact CE1-CB 3.8Å; Q254-R296 VanDerWaalsContact NE2-NE 3.16Å |
| 255 | T | 94.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 147.1 | 179 | -166.7 | 0 | 0 | 0 | 0 | 112.3 | Y122 L123 H241 I243 L253 I257 V274 | Y122-T255 CarbonylContact C-O 3.36Å; Y122-T255 VanDerWaalsContact CA-O 3.32Å; Y122-T255 WeakPolarHBondContact CA-O 3.4Å; L123-T255 HydrophobicContact CB-CG2 4.25Å; L123-T255 PolarHBondContact N-O 2.88Å; L123-T255 PolarHBondContact O-N 2.94Å; H241-T255 PolarHBondContact NE2-OG1 3.26Å; I243-T255 HydrophobicContact CG1-CG2 4.48Å; L253-T255 HydrophobicContact CD2-CG2 3.92Å; T255-I257 HydrophobicContact CG2-CG2 3.99Å; T255-V274 HydrophobicContact CG2-CG1 3.93Å |
| 256 | K | 94.9 | Very high | 91.4 | Very high | 89 Ų | 89 | 63.5 Ų | 63.5 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.5 | 173 | -67.1 | 175.4 | -177.7 | 179.8 | 0 | 108.5 | V121 Y122 F150 H241 | V121-K256 WeakPolarHBondContact O-CA 3.42Å; Y122-K256 HydrophobicContact CD1-CG 3.56Å; Y122-K256 HydrophobicContact CE1-CD 3.95Å; Y122-K256 HydrophobicContact CE1-CG 3.26Å; Y122-K256 HydrophobicContact CG-CG 4.43Å; Y122-K256 WeakPolarHBondContact OH-CE 3.44Å; F150-K256 HydrophobicContact CE2-CB 4.08Å; F150-K256 HydrophobicContact CZ-CB 3.74Å; F150-K256 WeakPolarHBondContact CZ-O 3.43Å; H241-K256 PolarHBondContact CE1-O 3.14Å; H241-K256 PolarHBondContact NE2-O 3.36Å |
| 257 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -24 | -177.1 | 64.6 | 166.6 | 0 | 0 | 0 | 113.8 | V121 L123 F150 T255 I267 N270 L271 V274 L295 | V121-I257 HydrophobicContact CB-CG1 4.35Å; V121-I257 HydrophobicContact CG1-CD1 4.31Å; V121-I257 HydrophobicContact CG1-CG1 4.12Å; V121-I257 PolarHBondContact O-N 2.92Å; L123-I257 HydrophobicContact CB-CD1 4.38Å; L123-I257 HydrophobicContact CB-CG2 3.6Å; L123-I257 HydrophobicContact CD2-CG2 4.27Å; F150-I257 VanDerWaalsContact CD1-O 3.3Å; F150-I257 WeakPolarHBondContact CD1-O 3.34Å; F150-I257 VanDerWaalsContact CE1-O 3.22Å; F150-I257 WeakPolarHBondContact CE1-O 3.16Å; T255-I257 HydrophobicContact CG2-CG2 3.99Å; I257-I267 HydrophobicContact CD1-CG2 4.22Å; I257-N270 WeakPolarHBondContact O-CB 3.3Å; I257-N270 PolarHBondContact O-ND2 2.9Å; I257-L271 HydrophobicContact CD1-CB 3.98Å; I257-L271 HydrophobicContact CD1-CD1 4.07Å; I257-V274 HydrophobicContact CG2-CG2 4.03Å; I257-L295 HydrophobicContact CD1-CD1 3.71Å |
| 258 | A | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 178.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V121 M262 I267 | V121-A258 HydrophobicContact CB-CB 4.46Å; V121-A258 PolarHBondContact N-O 3.27Å; A258-M262 HydrophobicContact CB-SD 3.69Å; A258-I267 HydrophobicContact CB-CB 4.3Å; A258-I267 HydrophobicContact CB-CG1 3.67Å; A258-I267 HydrophobicContact CB-CG2 4.19Å |
| 259 | R | 93.9 | Very high | 93 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 22% | 0.223 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 154.6 | 163 | -69.1 | 179.2 | -179.5 | 173 | 3.4 | 110.3 | Q119 F150 S152 D261 M262 | Q119-R259 CarbonylContact O-C 3.56Å; Q119-R259 VanDerWaalsContact O-CA 3.23Å; Q119-R259 WeakPolarHBondContact O-CA 3.13Å; F150-R259 HydrophobicContact CB-CG 4.38Å; F150-R259 HydrophobicContact CD2-CG 4.1Å; F150-R259 VanDerWaalsContact O-CZ 3.28Å; F150-R259 PolarHBondContact O-NE 3.43Å; F150-R259 PolarHBondContact O-NH2 3.29Å; S152-R259 PolarHBondContact OG-NH1 3.43Å; S152-R259 PolarHBondContact OG-NH2 3.24Å; R259-D261 WeakPolarHBondContact CB-OD1 3.37Å; R259-D261 PolarHBondContact O-N 3.46Å; R259-M262 HydrophobicContact CB-CG 4.46Å; R259-M262 PolarHBondContact N-SD 3.46Å; R259-M262 WeakPolarHBondContact O-CB 3.12Å; R259-M262 WeakPolarHBondContact O-CG 3.32Å; R259-M262 PolarHBondContact O-N 3.4Å |
| 260 | L | 93.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18 | -178.8 | -75.5 | -177.6 | 0 | 0 | 0 | 114.1 | L106 K107 Q110 Q119 V121 M262 | L106-L260 HydrophobicContact CB-CD2 4.01Å; K107-L260 VanDerWaalsContact CE-O 3.24Å; K107-L260 WeakPolarHBondContact CE-O 3.33Å; K107-L260 HydrophobicContact CG-CD2 4.2Å; Q110-L260 HydrophobicContact CB-CD1 3.62Å; Q110-L260 HydrophobicContact CG-CD1 3.83Å; Q119-L260 HydrophobicContact CB-CD1 3.95Å; Q119-L260 HydrophobicContact CB-CG 4.34Å; Q119-L260 PolarHBondContact O-N 2.91Å; V121-L260 HydrophobicContact CG2-CD2 3.41Å; V121-L260 VanDerWaalsContact CG2-CD2 3.41Å; V121-L260 HydrophobicContact CG2-CG 3.75Å; L260-M262 VanDerWaalsContact C-N 3.26Å; L260-M262 PolarHBondContact O-N 3.28Å |
| 261 | D | 92.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -14.6 | 175.2 | 61.1 | -19.2 | 0 | 0 | 0 | 113.5 | P117 R259 | P117-D261 PolarHBondContact O-N 3.26Å; R259-D261 WeakPolarHBondContact CB-OD1 3.37Å; R259-D261 PolarHBondContact O-N 3.46Å |
| 262 | M | 94.8 | Very high | 94.7 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -73.5 | 159 | 176.9 | -59.5 | 177.7 | 76.8 | 0 | 0 | 112.1 | K107 F150 A258 R259 L260 Q266 I267 | K107-M262 PolarHBondContact NZ-O 2.86Å; F150-M262 HydrophobicContact CB-CE 4.3Å; F150-M262 HydrophobicContact CB-SD 3.57Å; F150-M262 VanDerWaalsContact CB-SD 3.57Å; F150-M262 HydrophobicContact CG-SD 4.49Å; A258-M262 HydrophobicContact CB-SD 3.69Å; R259-M262 HydrophobicContact CB-CG 4.46Å; R259-M262 PolarHBondContact N-SD 3.46Å; R259-M262 WeakPolarHBondContact O-CB 3.12Å; R259-M262 WeakPolarHBondContact O-CG 3.32Å; R259-M262 PolarHBondContact O-N 3.4Å; L260-M262 VanDerWaalsContact C-N 3.26Å; L260-M262 PolarHBondContact O-N 3.28Å; M262-Q266 HydrophobicContact CB-CB 4.45Å; M262-Q266 HydrophobicContact CE-CB 4.07Å; M262-I267 HydrophobicContact CB-CD1 4.34Å; M262-I267 HydrophobicContact CB-CG1 4.02Å |
| 263 | S | 95 | Very high | 94.7 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | trans | -68.5 | 158.2 | 175.9 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | D265 Q266 I267 | S263-D265 PolarHBondContact O-N 3.1Å; S263-Q266 PolarHBondContact O-N 3.08Å; S263-Q266 WeakPolarHBondContact OG-CG 3.22Å; S263-Q266 PolarHBondContact OG-N 3.15Å; S263-I267 VanDerWaalsContact O-CG1 3.32Å; S263-I267 WeakPolarHBondContact O-CG1 3.46Å; S263-I267 PolarHBondContact O-N 2.82Å; S263-I267 VanDerWaalsContact O-N 3.16Å | ||
| 264 | S | 94.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 36.6 Ų | 36.6 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.4 | -41.8 | 176.2 | 43.3 | 0 | 0 | 0 | 0 | 112 | I267 A268 | S264-I267 PolarHBondContact O-N 3.35Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.08Å |
| 265 | D | 95.1 | Very high | 94.7 | Very high | 111 Ų | 111 | 33.4 Ų | 33.4 | 59% | 0.594 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -72.2 | -37.1 | -172.8 | -47.5 | -17.6 | 0 | 0 | 0 | 110.8 | S263 A268 A269 | S263-D265 PolarHBondContact O-N 3.1Å; D265-A268 PolarHBondContact O-N 3.25Å; D265-A269 WeakPolarHBondContact O-CB 3.43Å; D265-A269 PolarHBondContact O-N 3.14Å |
| 266 | Q | 95.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 36.3 Ų | 36.3 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.2 | -71 | 172.1 | -12.5 | 0 | 0 | 111.5 | Y148 M262 S263 A269 N270 | Y148-Q266 HydrophobicContact CD1-CB 4.48Å; Y148-Q266 HydrophobicContact CD1-CG 3.81Å; Y148-Q266 HydrophobicContact CD2-CB 3.85Å; Y148-Q266 HydrophobicContact CD2-CG 3.9Å; Y148-Q266 HydrophobicContact CE1-CG 3.96Å; Y148-Q266 HydrophobicContact CE2-CB 4.31Å; Y148-Q266 HydrophobicContact CE2-CG 4.05Å; Y148-Q266 HydrophobicContact CG-CB 3.93Å; Y148-Q266 HydrophobicContact CG-CG 3.76Å; M262-Q266 HydrophobicContact CB-CB 4.45Å; M262-Q266 HydrophobicContact CE-CB 4.07Å; S263-Q266 PolarHBondContact O-N 3.08Å; S263-Q266 WeakPolarHBondContact OG-CG 3.22Å; S263-Q266 PolarHBondContact OG-N 3.15Å; Q266-A269 PolarHBondContact O-N 3.06Å; Q266-N270 PolarHBondContact O-N 3.23Å |
| 267 | I | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -62.5 | 166.9 | 0 | 0 | 0 | 110 | V103 I257 A258 M262 S263 S264 N270 L271 | V103-I267 HydrophobicContact CG1-CD1 3.67Å; V103-I267 HydrophobicContact CG2-CB 4.31Å; V103-I267 HydrophobicContact CG2-CG2 3.78Å; I257-I267 HydrophobicContact CD1-CG2 4.22Å; A258-I267 HydrophobicContact CB-CB 4.3Å; A258-I267 HydrophobicContact CB-CG1 3.67Å; A258-I267 HydrophobicContact CB-CG2 4.19Å; M262-I267 HydrophobicContact CB-CD1 4.34Å; M262-I267 HydrophobicContact CB-CG1 4.02Å; S263-I267 VanDerWaalsContact O-CG1 3.32Å; S263-I267 WeakPolarHBondContact O-CG1 3.46Å; S263-I267 PolarHBondContact O-N 2.82Å; S263-I267 VanDerWaalsContact O-N 3.16Å; S264-I267 PolarHBondContact O-N 3.35Å; I267-N270 PolarHBondContact O-N 2.68Å; I267-L271 WeakPolarHBondContact O-CB 3.2Å; I267-L271 PolarHBondContact O-N 3.5Å |
| 268 | A | 94.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V99 S264 D265 L271 Q272 | V99-A268 HydrophobicContact CG1-CB 4.02Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.08Å; D265-A268 PolarHBondContact O-N 3.25Å; A268-L271 WeakPolarHBondContact O-CB 3.34Å; A268-L271 PolarHBondContact O-N 2.85Å; A268-Q272 WeakPolarHBondContact O-CG 3.38Å; A268-Q272 PolarHBondContact O-N 3.27Å |
| 269 | A | 95.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y148 D265 Q266 Q272 A273 | Y148-A269 HydrophobicContact CD2-CB 3.93Å; Y148-A269 HydrophobicContact CE2-CB 3.59Å; D265-A269 WeakPolarHBondContact O-CB 3.43Å; D265-A269 PolarHBondContact O-N 3.14Å; Q266-A269 PolarHBondContact O-N 3.06Å; A269-Q272 PolarHBondContact O-N 3.1Å; A269-A273 PolarHBondContact O-N 2.85Å |
| 270 | N | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.8 | -76.9 | -0.9 | 0 | 0 | 0 | 111.8 | L146 P147 Y148 I257 Q266 I267 Q272 A273 V274 | L146-N270 HydrophobicContact CD2-CB 4.27Å; P147-N270 WeakPolarHBondContact CD-OD1 3.32Å; Y148-N270 PolarHBondContact N-OD1 2.85Å; Y148-N270 PolarHBondContact O-ND2 2.81Å; Y148-N270 PolarHBondContact O-OD1 2.87Å; I257-N270 WeakPolarHBondContact O-CB 3.3Å; I257-N270 PolarHBondContact O-ND2 2.9Å; Q266-N270 PolarHBondContact O-N 3.23Å; I267-N270 PolarHBondContact O-N 2.68Å; N270-Q272 PolarHBondContact O-N 3.23Å; N270-A273 PolarHBondContact O-N 3.35Å; N270-V274 WeakPolarHBondContact O-CG2 3.28Å; N270-V274 PolarHBondContact O-N 3.4Å; N270-V274 VanDerWaalsContact O-N 3.08Å |
| 271 | L | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 174.5 | 175.8 | 64.4 | 0 | 0 | 0 | 111.4 | V99 L123 I257 I267 A268 A273 V274 I275 L305 L310 | V99-L271 HydrophobicContact CB-CD2 4.36Å; V99-L271 HydrophobicContact CG1-CD2 3.63Å; V99-L271 HydrophobicContact CG2-CD2 3.73Å; L123-L271 HydrophobicContact CB-CD1 4.46Å; L123-L271 HydrophobicContact CD1-CD1 3.4Å; L123-L271 VanDerWaalsContact CD1-CD1 3.4Å; L123-L271 HydrophobicContact CD2-CD1 3.45Å; L123-L271 VanDerWaalsContact CD2-CD1 3.45Å; L123-L271 HydrophobicContact CG-CD1 3.92Å; I257-L271 HydrophobicContact CD1-CB 3.98Å; I257-L271 HydrophobicContact CD1-CD1 4.07Å; I267-L271 WeakPolarHBondContact O-CB 3.2Å; I267-L271 PolarHBondContact O-N 3.5Å; A268-L271 WeakPolarHBondContact O-CB 3.34Å; A268-L271 PolarHBondContact O-N 2.85Å; L271-A273 PolarHBondContact O-N 2.92Å; L271-V274 PolarHBondContact O-N 3.33Å; L271-I275 HydrophobicContact CD1-CD1 3.88Å; L271-I275 HydrophobicContact CD1-CG1 4.41Å; L271-I275 HydrophobicContact CG-CD1 3.99Å; L271-I275 WeakPolarHBondContact O-CG1 3.47Å; L271-I275 PolarHBondContact O-N 3.31Å; L271-L305 HydrophobicContact CD2-CD1 3.93Å; L271-L310 HydrophobicContact CD2-CD1 4.13Å; L271-L310 HydrophobicContact CD2-CD2 4.49Å |
| 272 | Q | 94.4 | Very high | 93.1 | Very high | 96 Ų | 96 | 39.2 Ų | 39.2 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 177.7 | -73.6 | 174.7 | 7.7 | 0 | 0 | 112 | A268 A269 N270 V274 I275 N276 L310 | A268-Q272 WeakPolarHBondContact O-CG 3.38Å; A268-Q272 PolarHBondContact O-N 3.27Å; A269-Q272 PolarHBondContact O-N 3.1Å; N270-Q272 PolarHBondContact O-N 3.23Å; Q272-V274 VanDerWaalsContact C-N 3.32Å; Q272-V274 PolarHBondContact O-N 2.91Å; Q272-I275 PolarHBondContact O-N 3.23Å; Q272-N276 WeakPolarHBondContact O-CB 3.37Å; Q272-N276 PolarHBondContact O-N 2.71Å; Q272-N276 PolarHBondContact O-ND2 3.27Å; Q272-L310 HydrophobicContact CG-CD2 4.21Å |
| 273 | A | 94.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L144 P147 A269 N270 L271 E277 | L144-A273 HydrophobicContact CD1-CB 4.34Å; P147-A273 HydrophobicContact CG-CB 3.96Å; A269-A273 PolarHBondContact O-N 2.85Å; N270-A273 PolarHBondContact O-N 3.35Å; L271-A273 PolarHBondContact O-N 2.92Å; A273-E277 PolarHBondContact O-N 3.33Å |
| 274 | V | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 177.1 | 170 | 0 | 0 | 0 | 0 | 111.6 | L123 L144 L146 I243 T255 I257 N270 L271 Q272 E277 V278 | L123-V274 HydrophobicContact CD2-CB 4.29Å; L123-V274 HydrophobicContact CD2-CG1 3.61Å; L144-V274 HydrophobicContact CD1-CB 4.47Å; L144-V274 HydrophobicContact CD1-CG2 3.92Å; L146-V274 HydrophobicContact CD2-CG2 3.92Å; I243-V274 HydrophobicContact CD1-CB 4.37Å; I243-V274 HydrophobicContact CD1-CG1 3.81Å; I243-V274 HydrophobicContact CD1-CG2 4.25Å; T255-V274 HydrophobicContact CG2-CG1 3.93Å; I257-V274 HydrophobicContact CG2-CG2 4.03Å; N270-V274 WeakPolarHBondContact O-CG2 3.28Å; N270-V274 PolarHBondContact O-N 3.4Å; N270-V274 VanDerWaalsContact O-N 3.08Å; L271-V274 PolarHBondContact O-N 3.33Å; Q272-V274 VanDerWaalsContact C-N 3.32Å; Q272-V274 PolarHBondContact O-N 2.91Å; V274-E277 PolarHBondContact O-N 3.21Å; V274-V278 VanDerWaalsContact O-CG2 3.31Å; V274-V278 WeakPolarHBondContact O-CG2 3.36Å; V274-V278 PolarHBondContact O-N 3.22Å |
| 275 | I | 93.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | -179.6 | -68.1 | 170.8 | 0 | 0 | 0 | 110.8 | L123 L271 Q272 E277 V278 C279 L310 | L123-I275 HydrophobicContact CD2-CG1 4.41Å; L271-I275 HydrophobicContact CD1-CD1 3.88Å; L271-I275 HydrophobicContact CD1-CG1 4.41Å; L271-I275 HydrophobicContact CG-CD1 3.99Å; L271-I275 WeakPolarHBondContact O-CG1 3.47Å; L271-I275 PolarHBondContact O-N 3.31Å; Q272-I275 PolarHBondContact O-N 3.23Å; I275-E277 VanDerWaalsContact C-N 3.32Å; I275-E277 PolarHBondContact O-N 2.81Å; I275-V278 PolarHBondContact O-N 3.41Å; I275-C279 WeakPolarHBondContact O-CB 3.5Å; I275-C279 PolarHBondContact O-N 3.36Å; I275-C279 PolarHBondContact O-SG 3.47Å; I275-C279 VanDerWaalsContact O-SG 3.36Å; I275-L310 HydrophobicContact CD1-CB 3.63Å; I275-L310 HydrophobicContact CD1-CD1 3.56Å; I275-L310 HydrophobicContact CD1-CD2 4.48Å; I275-L310 HydrophobicContact CD1-CG 4.07Å; I275-L310 HydrophobicContact CG2-CB 4.42Å; I275-L310 WeakPolarHBondContact CG2-O 3.36Å |
| 276 | N | 92.3 | Very high | 89.4 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59 | -43.3 | 176.4 | -73.5 | -24.6 | 0 | 0 | 0 | 111.9 | Q272 C279 R280 | Q272-N276 WeakPolarHBondContact O-CB 3.37Å; Q272-N276 PolarHBondContact O-N 2.71Å; Q272-N276 PolarHBondContact O-ND2 3.27Å; N276-C279 PolarHBondContact O-N 3.15Å; N276-R280 WeakPolarHBondContact O-CG 3.49Å; N276-R280 PolarHBondContact O-N 3.29Å |
| 277 | E | 92.4 | Very high | 88.5 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 177.2 | -176 | 62.5 | -164.5 | 0 | 0 | 111.8 | S142 L144 A273 V274 I275 C279 R280 H281 | S142-E277 PolarHBondContact OG-OE1 3.14Å; L144-E277 HydrophobicContact CB-CB 4.44Å; L144-E277 HydrophobicContact CB-CG 4.11Å; L144-E277 HydrophobicContact CD1-CB 4.09Å; A273-E277 PolarHBondContact O-N 3.33Å; V274-E277 PolarHBondContact O-N 3.21Å; I275-E277 VanDerWaalsContact C-N 3.32Å; I275-E277 PolarHBondContact O-N 2.81Å; E277-C279 VanDerWaalsContact C-N 3.31Å; E277-C279 PolarHBondContact O-N 3.16Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 3.1Å; E277-R280 VanDerWaalsContact O-N 3.13Å; E277-R280 WeakPolarHBondContact OE2-CD 3.38Å; E277-R280 IonicContact OE2-CZ 2.81Å; E277-R280 IonicContact OE2-NE 3.59Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 3.27Å; E277-H281 PolarHBondContact O-CD2 2.96Å |
| 278 | V | 92.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 177.7 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | L125 L127 F140 I243 L253 V274 I275 R280 H281 F289 V290 | L125-V278 HydrophobicContact CD1-CB 4.47Å; L125-V278 HydrophobicContact CD1-CG1 4.26Å; L125-V278 HydrophobicContact CD1-CG2 4.13Å; L127-V278 HydrophobicContact CD1-CG1 4.24Å; L127-V278 HydrophobicContact CD2-CG1 3.68Å; F140-V278 HydrophobicContact CZ-CG1 4.39Å; I243-V278 HydrophobicContact CD1-CG2 4.48Å; I243-V278 HydrophobicContact CG2-CG2 4.49Å; L253-V278 HydrophobicContact CD1-CG1 4.41Å; L253-V278 HydrophobicContact CD1-CG2 3.7Å; V274-V278 VanDerWaalsContact O-CG2 3.31Å; V274-V278 WeakPolarHBondContact O-CG2 3.36Å; V274-V278 PolarHBondContact O-N 3.22Å; I275-V278 PolarHBondContact O-N 3.41Å; V278-R280 PolarHBondContact O-N 2.64Å; V278-H281 PolarHBondContact O-N 3Å; V278-F289 HydrophobicContact CG1-CD1 3.86Å; V278-F289 HydrophobicContact CG1-CE1 3.68Å; V278-F289 WeakPolarHBondContact O-CD1 3.08Å; V278-F289 VanDerWaalsContact O-CE1 3.29Å; V278-F289 WeakPolarHBondContact O-CE1 3.36Å; V278-V290 HydrophobicContact CG1-CG2 4.43Å |
| 279 | C | 90.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -21.5 | 178.3 | -73.3 | 0 | 0 | 0 | 0 | 113.8 | I275 N276 E277 H281 R282 P312 | I275-C279 WeakPolarHBondContact O-CB 3.5Å; I275-C279 PolarHBondContact O-N 3.36Å; I275-C279 PolarHBondContact O-SG 3.47Å; I275-C279 VanDerWaalsContact O-SG 3.36Å; N276-C279 PolarHBondContact O-N 3.15Å; E277-C279 VanDerWaalsContact C-N 3.31Å; E277-C279 PolarHBondContact O-N 3.16Å; C279-H281 PolarHBondContact O-N 2.89Å; C279-R282 PolarHBondContact O-N 3.31Å; C279-P312 HydrophobicContact CB-CG 3.72Å |
| 280 | R | 88.3 | Confident | 87.4 | Confident | 189 Ų | 189 | 46.6 Ų | 46.6 | 71% | 0.713 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -66.1 | -22.5 | 175.3 | -72.7 | 169.3 | 178.1 | 173.8 | -6.1 | 113.5 | N276 E277 V278 R282 | N276-R280 WeakPolarHBondContact O-CG 3.49Å; N276-R280 PolarHBondContact O-N 3.29Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 3.1Å; E277-R280 VanDerWaalsContact O-N 3.13Å; E277-R280 WeakPolarHBondContact OE2-CD 3.38Å; E277-R280 IonicContact OE2-CZ 2.81Å; E277-R280 IonicContact OE2-NE 3.59Å; E277-R280 IonicContact OE2-NH1 2.68Å; E277-R280 PolarHBondContact OE2-NH1 3.27Å; V278-R280 PolarHBondContact O-N 2.64Å; R280-R282 VanDerWaalsContact C-N 3.29Å; R280-R282 PolarHBondContact O-N 2.66Å |
| 281 | H | 86.7 | Confident | 87.2 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -10.4 | -177.5 | -67.6 | -74.1 | 0 | 0 | 0 | 114.3 | F140 S142 E277 V278 C279 | F140-H281 HydrophobicContact CD1-CB 4.06Å; F140-H281 AromaticContact CD2-CD2 3.46Å; F140-H281 VanDerWaalsContact CD2-CD2 3.46Å; F140-H281 WeakPolarHBondContact CD2-CD2 3.35Å; F140-H281 AromaticContact CD2-CE1 3.62Å; F140-H281 AromaticContact CD2-CG 3.68Å; F140-H281 AromaticContact CD2-ND1 3.78Å; F140-H281 AromaticContact CD2-NE2 3.39Å; F140-H281 WeakPolarHBondContact CD2-NE2 3.4Å; F140-H281 HydrophobicContact CE1-CB 3.84Å; F140-H281 HydrophobicContact CE2-CB 4.33Å; F140-H281 AromaticContact CE2-CD2 3.1Å; F140-H281 WeakPolarHBondContact CE2-CD2 3.5Å; F140-H281 AromaticContact CE2-CG 3.65Å; F140-H281 AromaticContact CE2-NE2 3.4Å; F140-H281 WeakPolarHBondContact CE2-NE2 3.42Å; F140-H281 HydrophobicContact CG-CB 4.39Å; F140-H281 AromaticContact CG-CG 3.89Å; F140-H281 AromaticContact CG-ND1 3.9Å; F140-H281 HydrophobicContact CZ-CB 3.99Å; F140-H281 AromaticContact CZ-CD2 3.52Å; F140-H281 AromaticContact CZ-CG 3.82Å; S142-H281 WeakPolarHBondContact CB-NE2 3.36Å; E277-H281 PolarHBondContact O-CD2 2.96Å; V278-H281 PolarHBondContact O-N 3Å; C279-H281 PolarHBondContact O-N 2.89Å |
| 282 | R | 84.6 | Confident | 87.1 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.038 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -131.7 | 131.3 | 175.6 | -172 | 179.5 | -177.7 | -146.2 | 21.4 | 109.5 | D128 T130 C279 R280 L286 G287 P288 F289 | D128-R282 IonicContact OD2-CZ 3.65Å; D128-R282 IonicContact OD2-NH1 2.75Å; D128-R282 IonicContact OD2-NH2 3.89Å; D128-R282 PolarHBondContact OD2-NH2 2.84Å; T130-R282 PolarHBondContact O-NE 3.15Å; T130-R282 PolarHBondContact O-NH2 2.93Å; C279-R282 PolarHBondContact O-N 3.31Å; R280-R282 VanDerWaalsContact C-N 3.29Å; R280-R282 PolarHBondContact O-N 2.66Å; R282-L286 HydrophobicContact CG-CB 4.45Å; R282-L286 HydrophobicContact CG-CD1 4.06Å; R282-L286 PolarHBondContact NH2-O 3.06Å; R282-G287 PolarHBondContact NH1-O 2.74Å; R282-P288 PolarHBondContact NH1-O 3.42Å; R282-P288 VanDerWaalsContact NH1-O 3.1Å; R282-F289 HydrophobicContact CB-CB 4.28Å; R282-F289 HydrophobicContact CB-CD1 4.17Å; R282-F289 HydrophobicContact CB-CD2 3.95Å; R282-F289 HydrophobicContact CB-CE2 4.3Å; R282-F289 HydrophobicContact CB-CG 3.88Å; R282-F289 HydrophobicContact CG-CD2 4.27Å |
| 283 | P | 76.4 | Confident | 87.1 | Confident | 74 Ų | 74 | 52 Ų | 52 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | trans | -61.8 | 140.2 | 175.6 | 26.5 | -33.8 | 0 | 0 | 0 | 110.6 | N285 L286 | P283-N285 PolarHBondContact O-N 3Å; P283-L286 HydrophobicContact CG-CD1 3.73Å; P283-L286 HydrophobicContact CG-CG 4.12Å; P283-L286 PolarHBondContact O-N 2.92Å | ||
| 284 | L | 74.8 | Confident | 87.2 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -61.9 | -29.6 | -174.5 | -60 | 176.7 | 0 | 0 | 0 | 113.1 | L286 G287 P312 E314 | L284-L286 PolarHBondContact O-N 2.89Å; L284-G287 PolarHBondContact O-N 2.84Å; L284-P312 HydrophobicContact CD2-CG 3.97Å; L284-E314 HydrophobicContact CB-CG 4.08Å; L284-E314 WeakPolarHBondContact CB-OE1 3.35Å; L284-E314 HydrophobicContact CD1-CG 3.83Å |
| 285 | N | 73.4 | Confident | 87.3 | Confident | 145 Ų | 145 | 52.9 Ų | 52.9 | 78% | 0.775 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -57.9 | -14.6 | 179.5 | -57.3 | -1.2 | 0 | 0 | 0 | 114.7 | P283 G287 | P283-N285 PolarHBondContact O-N 3Å; N285-G287 VanDerWaalsContact C-N 3.35Å |
| 286 | L | 75.7 | Confident | 87.3 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -91.7 | 4.9 | 179.3 | -61.7 | 176.7 | 0 | 0 | 0 | 113.3 | Q131 R282 P283 L284 | Q131-L286 HydrophobicContact CB-CD1 4.1Å; Q131-L286 HydrophobicContact CG-CD1 4.25Å; R282-L286 HydrophobicContact CG-CB 4.45Å; R282-L286 HydrophobicContact CG-CD1 4.06Å; R282-L286 PolarHBondContact NH2-O 3.06Å; P283-L286 HydrophobicContact CG-CD1 3.73Å; P283-L286 HydrophobicContact CG-CG 4.12Å; P283-L286 PolarHBondContact O-N 2.92Å; L284-L286 PolarHBondContact O-N 2.89Å |
| 287 | G | 77.2 | Confident | 87.4 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | trans | 85.9 | -173 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R282 L284 N285 F289 | R282-G287 PolarHBondContact NH1-O 2.74Å; L284-G287 PolarHBondContact O-N 2.84Å; N285-G287 VanDerWaalsContact C-N 3.35Å; G287-F289 PolarHBondContact O-N 3.19Å | ||
| 288 | P | 82.1 | Confident | 87.2 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 53% | 0.532 | 27% | 0.273 | S | S | . | . | trans | -62.9 | 123.2 | -171.5 | 25.9 | -33.7 | 0 | 0 | 0 | 110.8 | R282 L311 | R282-P288 PolarHBondContact NH1-O 3.42Å; R282-P288 VanDerWaalsContact NH1-O 3.1Å; P288-L311 HydrophobicContact CB-CD1 4.04Å | ||
| 289 | F | 89.1 | Confident | 87.1 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -77.7 | -34.8 | 177.6 | -175.2 | -140.9 | 0 | 0 | 0 | 112.4 | L127 D128 M129 V137 F140 V278 R282 G287 | L127-F289 CarbonylContact C-O 3.55Å; L127-F289 VanDerWaalsContact CA-O 3.3Å; L127-F289 WeakPolarHBondContact CA-O 3.37Å; L127-F289 HydrophobicContact CB-CD2 4.37Å; L127-F289 HydrophobicContact CB-CE2 3.84Å; L127-F289 HydrophobicContact CB-CZ 3.95Å; L127-F289 HydrophobicContact CD1-CE1 4.01Å; L127-F289 HydrophobicContact CD1-CE2 4.49Å; L127-F289 HydrophobicContact CD1-CZ 3.76Å; L127-F289 HydrophobicContact CD2-CD1 4.36Å; L127-F289 HydrophobicContact CD2-CE1 4.18Å; L127-F289 HydrophobicContact CD2-CZ 4.39Å; L127-F289 HydrophobicContact CG-CE1 4.48Å; L127-F289 HydrophobicContact CG-CZ 4.24Å; D128-F289 PolarHBondContact N-O 2.88Å; D128-F289 WeakPolarHBondContact O-CD2 3.16Å; D128-F289 VanDerWaalsContact O-CE2 3.25Å; D128-F289 WeakPolarHBondContact O-CE2 3.44Å; M129-F289 HydrophobicContact SD-CE2 3.77Å; M129-F289 HydrophobicContact SD-CZ 3.82Å; V137-F289 HydrophobicContact CG2-CE2 4.02Å; V137-F289 HydrophobicContact CG2-CZ 4.48Å; F140-F289 HydrophobicContact CE1-CE1 4.1Å; F140-F289 AromaticContact CE1-CZ 3.95Å; F140-F289 HydrophobicContact CE1-CZ 3.95Å; F140-F289 HydrophobicContact CZ-CE1 4.24Å; V278-F289 HydrophobicContact CG1-CD1 3.86Å; V278-F289 HydrophobicContact CG1-CE1 3.68Å; V278-F289 WeakPolarHBondContact O-CD1 3.08Å; V278-F289 VanDerWaalsContact O-CE1 3.29Å; V278-F289 WeakPolarHBondContact O-CE1 3.36Å; R282-F289 HydrophobicContact CB-CB 4.28Å; R282-F289 HydrophobicContact CB-CD1 4.17Å; R282-F289 HydrophobicContact CB-CD2 3.95Å; R282-F289 HydrophobicContact CB-CE2 4.3Å; R282-F289 HydrophobicContact CB-CG 3.88Å; R282-F289 HydrophobicContact CG-CD2 4.27Å; G287-F289 PolarHBondContact O-N 3.19Å |
| 290 | V | 91.5 | Very high | 86.8 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.5 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L125 L127 V278 I307 L311 | L125-V290 HydrophobicContact CD2-CG1 3.97Å; L127-V290 HydrophobicContact CD2-CG2 4.02Å; V278-V290 HydrophobicContact CG1-CG2 4.43Å; V290-I307 HydrophobicContact CG1-CG2 4.45Å; V290-L311 HydrophobicContact CB-CD2 4.18Å; V290-L311 HydrophobicContact CG2-CD2 4.4Å |
| 291 | I | 91.3 | Very high | 86.8 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -43.2 | 179.2 | -59.5 | 172.9 | 0 | 0 | 0 | 110.6 | T126 D128 | T126-I291 PolarHBondContact O-N 3.17Å; D128-I291 HydrophobicContact CB-CD1 3.82Å; D128-I291 HydrophobicContact CB-CG1 3.88Å |
| 292 | R | 92.6 | Very high | 87.1 | Confident | 114 Ų | 114 | 50.2 Ų | 50.2 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 144.5 | -178.6 | 54.5 | -177.6 | -163.4 | -167.4 | -8.8 | 109.8 | T126 F294 L304 | T126-R292 VanDerWaalsContact CB-CG 3.46Å; T126-R292 VanDerWaalsContact CB-NE 3.3Å; T126-R292 HydrophobicContact CG2-CG 4.35Å; T126-R292 PolarHBondContact N-O 2.77Å; T126-R292 PolarHBondContact O-N 3.35Å; T126-R292 PolarHBondContact OG1-NE 3.23Å; T126-R292 PolarHBondContact OG1-NH2 3.25Å; R292-F294 HydrophobicContact CB-CE2 4.46Å; R292-F294 HydrophobicContact CG-CE2 4.33Å; R292-L304 HydrophobicContact CB-CD1 4.25Å |
| 293 | A | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109 | L123 D124 L125 L305 I307 | L123-A293 HydrophobicContact CD1-CB 4.35Å; D124-A293 WeakPolarHBondContact O-CA 3.5Å; L125-A293 HydrophobicContact CD2-CB 3.56Å; A293-L305 HydrophobicContact CB-CB 4.25Å; A293-L305 HydrophobicContact CB-CD1 4.45Å; A293-L305 PolarHBondContact O-N 3.14Å; A293-I307 HydrophobicContact CB-CG2 4Å |
| 294 | F | 95.9 | Very high | 88.5 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.5 | 171.5 | -71.6 | -89.2 | 0 | 0 | 0 | 110.1 | D124 R292 L303 L304 | D124-F294 HydrophobicContact CB-CB 4.14Å; D124-F294 PolarHBondContact N-O 3.45Å; D124-F294 PolarHBondContact O-N 3.11Å; R292-F294 HydrophobicContact CB-CE2 4.46Å; R292-F294 HydrophobicContact CG-CE2 4.33Å; F294-L303 CarbonylContact C-O 3.56Å; F294-L303 VanDerWaalsContact CA-O 3.26Å; F294-L303 WeakPolarHBondContact CA-O 3.27Å; F294-L304 HydrophobicContact CD1-CB 4.11Å; F294-L304 HydrophobicContact CD1-CD1 4.33Å; F294-L304 HydrophobicContact CD2-CD1 4.47Å; F294-L304 HydrophobicContact CE1-CB 3.76Å; F294-L304 HydrophobicContact CE1-CD1 3.94Å; F294-L304 HydrophobicContact CE1-CG 4.37Å; F294-L304 HydrophobicContact CE2-CD1 4.11Å; F294-L304 HydrophobicContact CZ-CB 4.42Å; F294-L304 HydrophobicContact CZ-CD1 3.82Å |
| 295 | L | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128 | 170.7 | -161.1 | 69.8 | 0 | 0 | 0 | 108.8 | A102 V103 L106 V121 I257 G302 L303 L305 | A102-L295 HydrophobicContact CB-CD2 4.17Å; V103-L295 HydrophobicContact CG2-CD2 3.84Å; L106-L295 HydrophobicContact CD1-CB 4.21Å; L106-L295 HydrophobicContact CD1-CD2 3.53Å; L106-L295 HydrophobicContact CD1-CG 3.55Å; V121-L295 HydrophobicContact CG1-CD1 3.63Å; V121-L295 HydrophobicContact CG1-CD2 4.49Å; V121-L295 HydrophobicContact CG1-CG 3.93Å; I257-L295 HydrophobicContact CD1-CD1 3.71Å; L295-G302 WeakPolarHBondContact O-CA 3.33Å; L295-L303 PolarHBondContact N-O 2.84Å; L295-L303 PolarHBondContact O-N 3.43Å; L295-L305 HydrophobicContact CB-CD1 3.99Å; L295-L305 HydrophobicContact CB-CD2 4.02Å; L295-L305 HydrophobicContact CB-CG 4.06Å |
| 296 | R | 94.9 | Very high | 90.4 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 21% | 0.211 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.3 | 180 | 71.8 | 176.1 | -157.2 | 94.9 | -4.2 | 112.1 | V121 Y122 D124 Q254 | V121-R296 WeakPolarHBondContact CA-O 3.23Å; Y122-R296 HydrophobicContact CD2-CG 4.43Å; Y122-R296 PolarHBondContact N-O 3.26Å; Y122-R296 PolarHBondContact O-N 3.29Å; D124-R296 WeakPolarHBondContact OD2-CD 3.33Å; D124-R296 IonicContact OD2-NE 2.69Å; Q254-R296 VanDerWaalsContact NE2-NE 3.16Å |
| 297 | S | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 175.2 | 160.4 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | Q119 T299 S300 | Q119-S297 PolarHBondContact OE1-OG 3.42Å; S297-T299 VanDerWaalsContact C-N 3.27Å; S297-T299 PolarHBondContact O-N 3.45Å; S297-S300 WeakPolarHBondContact CB-OG 3.4Å; S297-S300 PolarHBondContact N-OG 2.9Å |
| 298 | S | 89.1 | Confident | 91.5 | Very high | 52 Ų | 52 | 43.9 Ų | 43.9 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -61 | -36.2 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | S120 Y122 | S120-S298 PolarHBondContact O-N 3.17Å; S120-S298 PolarHBondContact O-OG 3.1Å; Y122-S298 WeakPolarHBondContact CE2-OG 3.46Å |
| 299 | T | 88.3 | Confident | 91.6 | Very high | 75 Ų | 75 | 43.8 Ų | 43.8 | 46% | 0.46 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -106.8 | -29.3 | -176.8 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | T115 Q119 S297 | T115-T299 HydrophobicContact CG2-CG2 3.78Å; Q119-T299 VanDerWaalsContact NE2-CG2 3.27Å; Q119-T299 PolarHBondContact NE2-OG1 3.28Å; S297-T299 VanDerWaalsContact C-N 3.27Å; S297-T299 PolarHBondContact O-N 3.45Å |
| 300 | S | 86.1 | Confident | 91.3 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -77.2 | 164.8 | -175.1 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | L106 S297 | L106-S300 WeakPolarHBondContact CD2-OG 3.16Å; S297-S300 WeakPolarHBondContact CB-OG 3.4Å; S297-S300 PolarHBondContact N-OG 2.9Å |
| 301 | E | 87.2 | Confident | 90.9 | Very high | 91 Ų | 91 | 45.9 Ų | 45.9 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 159.1 | 167.3 | 61.1 | 172.2 | -121.4 | 0 | 0 | 113.1 | K89 F109 | K89-E301 IonicContact NZ-OE1 2.84Å; K89-E301 PolarHBondContact NZ-OE1 2.78Å; K89-E301 IonicContact NZ-OE2 2.81Å; K89-E301 PolarHBondContact NZ-OE2 3.07Å; F109-E301 HydrophobicContact CE2-CG 4.34Å |
| 302 | G | 92.3 | Very high | 90.3 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 19% | 0.186 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -80.4 | 122.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | R94 L295 | R94-G302 PolarHBondContact NH1-O 2.95Å; R94-G302 VanDerWaalsContact NH1-O 3.14Å; L295-G302 WeakPolarHBondContact O-CA 3.33Å |
| 303 | L | 95 | Very high | 89.5 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.2 | 174.7 | -62.1 | -178.8 | 0 | 0 | 0 | 109.6 | Y97 A102 L105 L106 F109 F294 L295 | Y97-L303 HydrophobicContact CD2-CB 4.04Å; Y97-L303 HydrophobicContact CD2-CD2 4.14Å; Y97-L303 HydrophobicContact CE2-CB 4.42Å; Y97-L303 HydrophobicContact CE2-CD2 3.7Å; A102-L303 HydrophobicContact CB-CB 4.46Å; A102-L303 HydrophobicContact CB-CD1 4.07Å; A102-L303 WeakPolarHBondContact O-CD1 3.17Å; L105-L303 HydrophobicContact CB-CD1 3.78Å; L105-L303 HydrophobicContact CD1-CD1 4.23Å; L106-L303 HydrophobicContact CD2-CD1 4.01Å; L106-L303 HydrophobicContact CD2-CG 4.31Å; L106-L303 HydrophobicContact CG-CD1 3.95Å; F109-L303 HydrophobicContact CE2-CD1 4.15Å; F109-L303 HydrophobicContact CE2-CD2 3.91Å; F109-L303 HydrophobicContact CE2-CG 4.28Å; F109-L303 HydrophobicContact CZ-CD2 4.39Å; F294-L303 CarbonylContact C-O 3.56Å; F294-L303 VanDerWaalsContact CA-O 3.26Å; F294-L303 WeakPolarHBondContact CA-O 3.27Å; L295-L303 PolarHBondContact N-O 2.84Å; L295-L303 PolarHBondContact O-N 3.43Å |
| 304 | L | 95.4 | Very high | 87.8 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.8 | 178.2 | -179 | 59.9 | 0 | 0 | 0 | 109.2 | R94 I96 Y97 R292 F294 | R94-L304 HydrophobicContact CB-CD2 4.21Å; I96-L304 HydrophobicContact CG1-CD2 3.84Å; I96-L304 HydrophobicContact CG1-CG 4.27Å; Y97-L304 PolarHBondContact N-O 3.47Å; R292-L304 HydrophobicContact CB-CD1 4.25Å; F294-L304 HydrophobicContact CD1-CB 4.11Å; F294-L304 HydrophobicContact CD1-CD1 4.33Å; F294-L304 HydrophobicContact CD2-CD1 4.47Å; F294-L304 HydrophobicContact CE1-CB 3.76Å; F294-L304 HydrophobicContact CE1-CD1 3.94Å; F294-L304 HydrophobicContact CE1-CG 4.37Å; F294-L304 HydrophobicContact CE2-CD1 4.11Å; F294-L304 HydrophobicContact CZ-CB 4.42Å; F294-L304 HydrophobicContact CZ-CD1 3.82Å |
| 305 | L | 95.6 | Very high | 85.7 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 148.5 | -179.5 | -61.1 | -175.7 | 0 | 0 | 0 | 111.9 | Y97 V99 A102 L271 A293 L295 I307 | Y97-L305 WeakPolarHBondContact O-CA 3.31Å; V99-L305 HydrophobicContact CG2-CD1 4.47Å; A102-L305 HydrophobicContact CB-CD2 3.39Å; L271-L305 HydrophobicContact CD2-CD1 3.93Å; A293-L305 HydrophobicContact CB-CB 4.25Å; A293-L305 HydrophobicContact CB-CD1 4.45Å; A293-L305 PolarHBondContact O-N 3.14Å; L295-L305 HydrophobicContact CB-CD1 3.99Å; L295-L305 HydrophobicContact CB-CD2 4.02Å; L295-L305 HydrophobicContact CB-CG 4.06Å; L305-I307 PolarHBondContact O-N 3.44Å |
| 306 | K | 93.8 | Very high | 83.1 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 118.9 | 164.9 | -165.6 | 175.6 | -177.8 | 175.7 | 0 | 109.7 | I96 Y97 P309 | I96-K306 HydrophobicContact CG2-CB 3.86Å; I96-K306 HydrophobicContact CG2-CG 4.44Å; Y97-K306 PolarHBondContact O-N 3.35Å; K306-P309 HydrophobicContact CG-CG 4.49Å |
| 307 | I | 88.8 | Confident | 80.4 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | trans | -85.7 | -33.2 | -173.3 | 56.8 | 169.9 | 0 | 0 | 0 | 113.7 | V290 A293 L305 P309 L310 L311 | V290-I307 HydrophobicContact CG1-CG2 4.45Å; A293-I307 HydrophobicContact CB-CG2 4Å; L305-I307 PolarHBondContact O-N 3.44Å; I307-P309 VanDerWaalsContact C-CD 3.4Å; I307-L310 WeakPolarHBondContact O-CB 3.49Å; I307-L310 PolarHBondContact O-N 3.41Å; I307-L311 PolarHBondContact O-N 2.84Å | ||
| 308 | D | 85.9 | Confident | 77.8 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -51.4 | -43.2 | -174.4 | -45.8 | -40.2 | 0 | 0 | 0 | 114.8 | L310 | D308-L310 PolarHBondContact O-N 3.34Š|
| 309 | P | 85.9 | Confident | 75.7 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 53% | 0.526 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -73.6 | -13.5 | 179.9 | 29.3 | -34.8 | 0 | 0 | 0 | 113.7 | K306 I307 | K306-P309 HydrophobicContact CG-CG 4.49Å; I307-P309 VanDerWaalsContact C-CD 3.4Å |
| 310 | L | 81.2 | Confident | 73.6 | Confident | 15 Ų | 15 | 83.1 Ų | 83.1 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -97.6 | -17.5 | -174.8 | -58 | 173.9 | 0 | 0 | 0 | 113.1 | V99 L271 Q272 I275 I307 D308 | V99-L310 HydrophobicContact CG2-CD1 3.91Å; V99-L310 HydrophobicContact CG2-CD2 3.9Å; V99-L310 HydrophobicContact CG2-CG 4.33Å; L271-L310 HydrophobicContact CD2-CD1 4.13Å; L271-L310 HydrophobicContact CD2-CD2 4.49Å; Q272-L310 HydrophobicContact CG-CD2 4.21Å; I275-L310 HydrophobicContact CD1-CB 3.63Å; I275-L310 HydrophobicContact CD1-CD1 3.56Å; I275-L310 HydrophobicContact CD1-CD2 4.48Å; I275-L310 HydrophobicContact CD1-CG 4.07Å; I275-L310 HydrophobicContact CG2-CB 4.42Å; I275-L310 WeakPolarHBondContact CG2-O 3.36Å; I307-L310 WeakPolarHBondContact O-CB 3.49Å; I307-L310 PolarHBondContact O-N 3.41Å; D308-L310 PolarHBondContact O-N 3.34Å |
| 311 | L | 83.9 | Confident | 71.7 | Confident | 38 Ų | 38 | 91.9 Ų | 91.9 | 20% | 0.199 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -74.5 | 139.4 | -179.5 | -66.3 | 177.1 | 0 | 0 | 0 | 110.5 | P288 V290 I307 K313 | P288-L311 HydrophobicContact CB-CD1 4.04Å; V290-L311 HydrophobicContact CB-CD2 4.18Å; V290-L311 HydrophobicContact CG2-CD2 4.4Å; I307-L311 PolarHBondContact O-N 2.84Å; L311-K313 PolarHBondContact O-N 3.15Å; L311-K313 VanDerWaalsContact O-N 3.16Å |
| 312 | P | 79.1 | Confident | 69.7 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 121.8 | 172.8 | 24.5 | -31.8 | 0 | 0 | 0 | 108.8 | C279 L284 | C279-P312 HydrophobicContact CB-CG 3.72Å; L284-P312 HydrophobicContact CD2-CG 3.97Å |
| 313 | K | 74.3 | Confident | 67.4 | Low | 179 Ų | 179 | 103.8 Ų | 103.8 | 78% | 0.778 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 133.7 | 174.3 | -64.1 | 179.2 | -177.8 | 176.7 | 0 | 108.3 | L311 V315 | L311-K313 PolarHBondContact O-N 3.15Å; L311-K313 VanDerWaalsContact O-N 3.16Å; K313-V315 PolarHBondContact O-N 3.32Å; K313-V315 VanDerWaalsContact O-N 3.1Å |
| 314 | E | 61.1 | Low | 64.9 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 116.7 | 164.4 | -68.3 | -179 | 179.5 | 0 | 0 | 107.2 | L284 K316 | L284-E314 HydrophobicContact CB-CG 4.08Å; L284-E314 WeakPolarHBondContact CB-OE1 3.35Å; L284-E314 HydrophobicContact CD1-CG 3.83Å; E314-K316 VanDerWaalsContact C-N 3.27Å; E314-K316 PolarHBondContact O-N 3.45Å |
| 315 | V | 51.1 | Low | 63.4 | Low | 123 Ų | 123 | 119.6 Ų | 119.6 | 75% | 0.745 | 60% | 0.603 | S | S | * | * | trans | -66.5 | 97.4 | 168.4 | -178.2 | 0 | 0 | 0 | 0 | 105.2 | K313 N317 | K313-V315 PolarHBondContact O-N 3.32Å; K313-V315 VanDerWaalsContact O-N 3.1Å; V315-N317 PolarHBondContact O-N 2.77Å | ||
| 316 | K | 41.2 | Very low | 61.7 | Low | 159 Ų | 159 | 125.6 Ų | 125.6 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | trans | -64.7 | 107 | 164.6 | -68.1 | -175.7 | 179.3 | -176.4 | 0 | 105.7 | E314 E318 | E314-K316 VanDerWaalsContact C-N 3.27Å; E314-K316 PolarHBondContact O-N 3.45Å; K316-E318 HydrophobicContact CB-CG 4.22Å; K316-E318 PolarHBondContact O-N 3.24Å | ||
| 317 | N | 39.9 | Very low | 59.9 | Low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 65% | 0.645 | S | S | * | * | trans | -66.8 | 82.8 | 167.2 | -72.4 | -15.3 | 0 | 0 | 0 | 107.5 | V315 E319 | V315-N317 PolarHBondContact O-N 2.77Å; N317-E319 PolarHBondContact O-N 3.39Å; N317-E319 VanDerWaalsContact O-N 3.15Å | ||
| 318 | E | 39.1 | Very low | 58.2 | Low | 167 Ų | 167 | 132.8 Ų | 132.8 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | trans | -82.5 | 57.5 | 167.2 | -68 | -175.8 | -176.4 | 0 | 0 | 109.3 | K316 | K316-E318 HydrophobicContact CB-CG 4.22Å; K316-E318 PolarHBondContact O-N 3.24Å | ||
| 319 | E | 44.5 | Very low | 56.5 | Low | 188 Ų | 188 | 134.6 Ų | 134.6 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | trans | -143.3 | 62.2 | 171.8 | -73.7 | -171.8 | 173.2 | 0 | 0 | 110 | N317 | N317-E319 PolarHBondContact O-N 3.39Å; N317-E319 VanDerWaalsContact O-N 3.15Å | ||
| 320 | S | 44 | Very low | 54.5 | Low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -164.7 | 60.5 | 162.2 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 321 | E | 45.7 | Very low | 52.6 | Low | 197 Ų | 197 | 146.9 Ų | 146.9 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | -166.6 | 54 | 162.1 | -116.7 | 173.2 | -154.8 | 0 | 0 | 111.7 | ||||
| 322 | K | 45.6 | Very low | 50.2 | Low | 196 Ų | 196 | 155.3 Ų | 155.3 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -138.6 | 124.4 | 151.9 | -68.8 | -173.6 | -177.5 | 175 | 0 | 105.4 | ||
| 323 | D | 43.9 | Very low | 47.8 | Very low | 163 Ų | 163 | 164.4 Ų | 164.4 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | 110 | 71.7 | -179.6 | -54.1 | -12.4 | 0 | 0 | 0 | 113.7 | ||||
| 324 | I | 43.3 | Very low | 45.4 | Very low | 247 Ų | 247 | 163.1 Ų | 163.1 | 100% | 1.267 | 82% | 0.818 | S | S | * | * | trans | -135.7 | 0 | 139.8 | -59.2 | -176.6 | 0 | 0 | 0 | 107.8 |
Retrieved 324 of 324 residues in 88.3 ms
(Link to these results)