| 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 | 32.4 | Very low | 30.1 | Very low | 238 Ų | 238 | 160.8 Ų | 160.8 | 100% | 1.172 | 84% | 0.84 | S | S | * | * | 0 | 125.6 | 0 | -69.2 | -169.1 | -148.7 | 0 | 0 | 108.6 | |||||
| 2 | K | 34.4 | Very low | 29.9 | Very low | 202 Ų | 202 | 167.3 Ų | 167.3 | 88% | 0.878 | 85% | 0.845 | S | S | * | * | trans | 52.7 | 106.1 | 161.4 | -53.9 | -178.9 | -178.3 | -179.2 | 0 | 116.5 | ||||
| 3 | C | 25.3 | Very low | 29.7 | Very low | 120 Ų | 120 | 163.7 Ų | 163.7 | 81% | 0.811 | 85% | 0.845 | S | S | * | * | cis | 66 | 105.9 | 34.3 | -137.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 4 | S | 32 | Very low | 29.3 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | 176.5 | 100.5 | 153.6 | 43.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 5 | R | 32 | Very low | 29.2 | Very low | 236 Ų | 236 | 161.9 Ų | 161.9 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | 48.5 | 115.6 | 69.2 | -81.5 | -167.9 | 173.5 | -170.7 | -0.6 | 115.4 | |||||
| 6 | C | 28.6 | Very low | 29 | Very low | 125 Ų | 125 | 159.8 Ų | 159.8 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -176.5 | 104.7 | 135.7 | -94.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | L | 31.1 | Very low | 28.9 | Very low | 147 Ų | 147 | 157.5 Ų | 157.5 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | 74.2 | 105.6 | 81.1 | -82.1 | 171.6 | 0 | 0 | 0 | 115.7 | |||||
| 8 | L | 29.7 | Very low | 28.8 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 71% | 0.707 | 83% | 0.828 | S | S | * | * | trans | 33.3 | 128.7 | 132.3 | -79.9 | 160.9 | 0 | 0 | 0 | 120 | L10 | L8-L10 HydrophobicContact CD2-CD1 4.22Š| ||
| 9 | Q | 27.2 | Very low | 28.9 | Very low | 182 Ų | 182 | 157.4 Ų | 157.4 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -153.4 | 100.6 | 132.3 | -111.3 | 172 | 14.1 | 0 | 0 | 112.1 | ||||
| 10 | L | 29.1 | Very low | 28.7 | Very low | 145 Ų | 145 | 162.1 Ų | 162.1 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -68 | 127.8 | 152.4 | -98.9 | 105.6 | 0 | 0 | 0 | 108.2 | L8 | L8-L10 HydrophobicContact CD2-CD1 4.22Š| ||
| 11 | V | 29.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 76% | 0.758 | 83% | 0.828 | S | S | * | * | trans | -108.1 | 98.7 | 163.4 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 12 | R | 27.3 | Very low | 28.3 | Very low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -72.6 | 127.2 | 151.4 | -85.5 | 177.5 | 162.7 | 174.9 | -4.4 | 107.4 | ||||
| 13 | S | 27.8 | Very low | 27.9 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -114.6 | 110.9 | 158.2 | -168.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 14 | G | 24 | Very low | 28.1 | Very low | 61 Ų | 61 | 151 Ų | 151 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | trans | -107.5 | 143 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 15 | R | 27.3 | Very low | 27.8 | Very low | 239 Ų | 239 | 154.1 Ų | 154.1 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | 166.3 | 133.8 | 155.9 | -95.1 | 168.9 | -176.1 | -157.5 | 1.9 | 105.5 | ||||
| 16 | T | 26.6 | Very low | 27.5 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | -167.8 | 144.9 | 2.8 | 6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 17 | V | 27.2 | Very low | 28.4 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -71.9 | 139.3 | 169.5 | 168.9 | 0 | 0 | 0 | 0 | 110 | Q19 | V17-Q19 HydrophobicContact CG1-CG 4.1Š| ||
| 18 | V | 27.9 | Very low | 28.2 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -115.9 | 108.7 | 153 | 172.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 19 | Q | 29.4 | Very low | 28.1 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 140.6 | 163.9 | -88.4 | 171.4 | -32.6 | 0 | 0 | 109.7 | V17 | V17-Q19 HydrophobicContact CG1-CG 4.1Š| ||
| 20 | R | 26.2 | Very low | 27.9 | Very low | 250 Ų | 250 | 139.2 Ų | 139.2 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -125.9 | 118.1 | 136.8 | -97.1 | -175 | 175.3 | 177.9 | -0.9 | 107.3 | ||||
| 21 | G | 24.7 | Very low | 27.9 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -92.2 | 170.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 22 | S | 27.3 | Very low | 27.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -163 | 98.5 | 143.2 | 27.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 23 | L | 26.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | 55 | 91.8 | 101.3 | -64.2 | 176.5 | 0 | 0 | 0 | 111.5 | |||||
| 24 | L | 28.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | 65.8 | 115 | 91.7 | -76.7 | 176.3 | 0 | 0 | 0 | 113.6 | |||||
| 25 | L | 26.4 | Very low | 28 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | -163.8 | 121.7 | 132.6 | -97.1 | 156.8 | 0 | 0 | 0 | 108.7 | ||||
| 26 | S | 25.3 | Very low | 28 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -106.4 | -168 | 168.5 | 48 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 27 | P | 48.8 | Very low | 28.1 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | -124.1 | -179.9 | -67.8 | 36.1 | -20.3 | 0 | 0 | 0 | 111.4 | |||||
| 28 | S | 25.6 | Very low | 28.2 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 147.2 | 149.4 | 154.1 | 53.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 29 | S | 27.4 | Very low | 28.8 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | -170.2 | 144.1 | -11.4 | -93.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 30 | G | 24.2 | Very low | 28.8 | Very low | 70 Ų | 70 | 146.7 Ų | 146.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 72.3 | 116.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 31 | Q | 28.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | 179 | 126.3 | 95.1 | -97.1 | 175.6 | -16.2 | 0 | 0 | 110.3 | |||||
| 32 | L | 27.8 | Very low | 29.4 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 122.3 | 163.3 | -78.6 | 153.9 | 0 | 0 | 0 | 109.2 | ||||
| 33 | I | 26.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 146 Ų | 146 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | -130.5 | 104.3 | 155.7 | -62.3 | -178.8 | 0 | 0 | 0 | 107.3 | Q35 | I33-Q35 HydrophobicContact CG2-CG 4.16Š| ||
| 34 | V | 28.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 117.8 | 161.9 | 170.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 35 | Q | 27.5 | Very low | 29.7 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -129.2 | 110.1 | 158 | -85.1 | -170.3 | -24.7 | 0 | 0 | 109 | I33 | I33-Q35 HydrophobicContact CG2-CG 4.16Š| ||
| 36 | H | 28 | Very low | 29.9 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -72.3 | 143.9 | 168.2 | -117.9 | -62.9 | 0 | 0 | 0 | 110.2 | ||||
| 37 | N | 28 | Very low | 30 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 67.6 | 109.2 | 159 | -78.4 | -7.8 | 0 | 0 | 0 | 118.2 | ||||
| 38 | Q | 29.7 | Very low | 29 | Very low | 194 Ų | 194 | 154.3 Ų | 154.3 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | -158.2 | 129.3 | 96.9 | -101.7 | 171.6 | 2.7 | 0 | 0 | 110.6 | Q40 | Q38-Q40 PolarHBondContact O-N 3.28Š| |||
| 39 | Q | 39.9 | Very low | 29.3 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -54.8 | 114.6 | 173.7 | -68.4 | 163.6 | -41.2 | 0 | 0 | 110.5 | ||||
| 40 | Q | 31.3 | Very low | 29.5 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -132.6 | 83.6 | 145.9 | -78 | -171.9 | -19.4 | 0 | 0 | 107 | Q38 V42 | Q38-Q40 PolarHBondContact O-N 3.28Å; Q40-V42 VanDerWaalsContact C-N 3.27Å; Q40-V42 PolarHBondContact O-N 3.38Å | ||
| 41 | Q | 32.7 | Very low | 29.7 | Very low | 168 Ų | 168 | 156.7 Ų | 156.7 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -55.2 | 99.6 | 156.7 | -80.4 | 178.7 | -23 | 0 | 0 | 106.9 | L43 | Q41-L43 PolarHBondContact O-N 3.28Š| ||
| 42 | V | 29.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 81.1 | 158.5 | -176.8 | 0 | 0 | 0 | 0 | 105.2 | Q40 R44 | Q40-V42 VanDerWaalsContact C-N 3.27Å; Q40-V42 PolarHBondContact O-N 3.38Å; V42-R44 VanDerWaalsContact C-N 3.34Å; V42-R44 PolarHBondContact O-N 2.76Å | ||
| 43 | L | 30.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | trans | -51.1 | 107.6 | 157.4 | -77.4 | 163.1 | 0 | 0 | 0 | 105.4 | Q41 Q45 | Q41-L43 PolarHBondContact O-N 3.28Å; L43-Q45 HydrophobicContact CB-CG 4.49Å; L43-Q45 PolarHBondContact O-N 2.74Å | ||
| 44 | R | 30.8 | Very low | 30.2 | Very low | 220 Ų | 220 | 153.2 Ų | 153.2 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 85 | 161.6 | -82.6 | -171.2 | 178.6 | -163.1 | 1.7 | 106.1 | V42 F46 | V42-R44 VanDerWaalsContact C-N 3.34Å; V42-R44 PolarHBondContact O-N 2.76Å; R44-F46 PolarHBondContact O-N 2.89Å | ||
| 45 | Q | 26.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -60.8 | 105.5 | 164.4 | -74.2 | 179.8 | -15.6 | 0 | 0 | 106.5 | L43 R47 | L43-Q45 HydrophobicContact CB-CG 4.49Å; L43-Q45 PolarHBondContact O-N 2.74Å; Q45-R47 HydrophobicContact CB-CG 4.47Å; Q45-R47 PolarHBondContact O-N 2.74Å | ||
| 46 | F | 30.1 | Very low | 30.5 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -64.6 | 94.9 | 158.8 | -70 | -80.2 | 0 | 0 | 0 | 106.7 | R44 C48 | R44-F46 PolarHBondContact O-N 2.89Å; F46-C48 VanDerWaalsContact C-N 3.3Å; F46-C48 PolarHBondContact O-N 3.36Å | ||
| 47 | R | 27.5 | Very low | 30.4 | Very low | 212 Ų | 212 | 150.7 Ų | 150.7 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -72.9 | 92 | 168.7 | -69.7 | -170.5 | 178.7 | -169.1 | 0.3 | 107.6 | Q45 S49 | Q45-R47 HydrophobicContact CB-CG 4.47Å; Q45-R47 PolarHBondContact O-N 2.74Å; R47-S49 PolarHBondContact O-N 2.99Å; R47-S49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | C | 28.2 | Very low | 30.5 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -68 | 100.8 | 157.1 | -67.9 | 0 | 0 | 0 | 0 | 107 | F46 | F46-C48 VanDerWaalsContact C-N 3.3Å; F46-C48 PolarHBondContact O-N 3.36Å | ||
| 49 | S | 33 | Very low | 30.5 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -59 | 136.1 | 165.6 | 34.9 | 0 | 0 | 0 | 0 | 109.2 | R47 V51 | R47-S49 PolarHBondContact O-N 2.99Å; R47-S49 VanDerWaalsContact O-N 3.13Å; S49-V51 PolarHBondContact O-N 3.1Å | ||
| 50 | P | 31.3 | Very low | 30 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -69.2 | 105.6 | 174 | 29.1 | -30.5 | 0 | 0 | 0 | 107 | L52 | P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.34Å | ||
| 51 | V | 28.3 | Very low | 29.9 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -69.8 | 100.2 | 164.3 | 176.1 | 0 | 0 | 0 | 0 | 105.5 | S49 A53 | S49-V51 PolarHBondContact O-N 3.1Å; V51-A53 PolarHBondContact O-N 3.49Å | ||
| 52 | L | 31.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -46 | 113.8 | 160.1 | -176.3 | 75.2 | 0 | 0 | 0 | 107.4 | P50 K54 | P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.34Å; L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.15Å | ||
| 53 | A | 32.7 | Very low | 29.9 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | -57.7 | 94.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | V51 S55 | V51-A53 PolarHBondContact O-N 3.49Å; A53-S55 PolarHBondContact O-N 3.4Å | ||
| 54 | K | 28.5 | Very low | 30 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -79.9 | 111.6 | 159 | -88 | -177.2 | 174.4 | -180 | 0 | 106.4 | L52 | L52-K54 VanDerWaalsContact C-N 3.31Å; L52-K54 PolarHBondContact O-N 3.15Å | ||
| 55 | S | 31.7 | Very low | 29.9 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -2.8 | 134.4 | 152.2 | 53.8 | 0 | 0 | 0 | 0 | 115.8 | A53 | A53-S55 PolarHBondContact O-N 3.4Š| ||
| 56 | Q | 30.6 | Very low | 30.4 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -24.4 | 138.9 | 163.4 | -77 | 170.9 | -42.2 | 0 | 0 | 113.3 | E58 | Q56-E58 PolarHBondContact O-N 3.22Š| ||
| 57 | P | 25.4 | Very low | 30.5 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 104.6 | 164.2 | 25 | -25.3 | 0 | 0 | 0 | 107.6 | ||||
| 58 | E | 30.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 136 Ų | 136 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -53.2 | 143 | 167.7 | -75.2 | -165.4 | 159.5 | 0 | 0 | 109.3 | Q56 V60 | Q56-E58 PolarHBondContact O-N 3.22Å; E58-V60 PolarHBondContact O-N 3.14Å | ||
| 59 | P | 30.1 | Very low | 31.4 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -58 | 127.8 | 170.5 | 25.4 | -31.6 | 0 | 0 | 0 | 108.3 | R61 | P59-R61 PolarHBondContact O-N 3.17Š| ||
| 60 | V | 29.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -49.5 | 106.4 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 109 | E58 F62 | E58-V60 PolarHBondContact O-N 3.14Å; V60-F62 PolarHBondContact O-N 3.21Å | ||
| 61 | R | 27.3 | Very low | 31.6 | Very low | 211 Ų | 211 | 145.5 Ų | 145.5 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 118.3 | 168.2 | -75.1 | -176.1 | 178.1 | 175.4 | 1.8 | 107.7 | P59 V63 | P59-R61 PolarHBondContact O-N 3.17Å; R61-V63 PolarHBondContact O-N 3.03Å | ||
| 62 | F | 32.3 | Very low | 31.9 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 120.8 | 169.9 | -68.5 | -88.3 | 0 | 0 | 0 | 108.9 | V60 N64 | V60-F62 PolarHBondContact O-N 3.21Å; F62-N64 PolarHBondContact O-N 2.79Å | ||
| 63 | V | 30.3 | Very low | 32.3 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -70.1 | 111 | 162.6 | 176.1 | 0 | 0 | 0 | 0 | 106.2 | R61 D65 | R61-V63 PolarHBondContact O-N 3.03Å; V63-D65 PolarHBondContact O-N 3.25Å | ||
| 64 | N | 32.5 | Very low | 33 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -68.2 | 98.3 | 166.6 | -73.7 | -26.1 | 0 | 0 | 0 | 107.7 | F62 D66 | F62-N64 PolarHBondContact O-N 2.79Å; N64-D66 PolarHBondContact O-N 2.89Å | ||
| 65 | D | 30.3 | Very low | 34.2 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -77.7 | 95.3 | 165.7 | -166.9 | 36.3 | 0 | 0 | 0 | 107.6 | V63 G67 | V63-D65 PolarHBondContact O-N 3.25Å; D65-G67 PolarHBondContact O-N 2.92Å | ||
| 66 | D | 37 | Very low | 35.9 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -77.3 | 74.9 | 179.7 | -149.9 | 4.7 | 0 | 0 | 0 | 109.6 | N64 | N64-D66 PolarHBondContact O-N 2.89Š| ||
| 67 | G | 31.8 | Very low | 37.7 | Very low | 56 Ų | 56 | 137 Ų | 137 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | trans | -106.4 | 80 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D65 K69 | D65-G67 PolarHBondContact O-N 2.92Å; G67-K69 PolarHBondContact O-N 3.21Å | ||
| 68 | T | 42 | Very low | 39.7 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -43.5 | 98.7 | 173.7 | 37 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 69 | K | 32.4 | Very low | 41.7 | Very low | 200 Ų | 200 | 130 Ų | 130 | 87% | 0.87 | 69% | 0.691 | S | S | * | * | trans | -142.7 | 89.9 | 158.3 | -69 | -169 | -178.2 | 171.5 | 0 | 113.1 | G67 | G67-K69 PolarHBondContact O-N 3.21Š| ||
| 70 | K | 30.9 | Very low | 44.1 | Very low | 198 Ų | 198 | 126.4 Ų | 126.4 | 86% | 0.861 | 67% | 0.665 | S | S | * | * | trans | 43.6 | 94.4 | 146 | -73.1 | 179.3 | 175.3 | 178.4 | 0 | 119.5 | ||||
| 71 | T | 38.4 | Very low | 46.4 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 87% | 0.871 | 63% | 0.63 | S | S | * | * | 37.3 | 90.9 | 126.9 | 4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 72 | K | 35 | Very low | 49 | Very low | 197 Ų | 197 | 116 Ų | 116 | 86% | 0.857 | 62% | 0.617 | S | S | * | * | -138.9 | 126 | 129.6 | -71.4 | -170.6 | 178.9 | 179 | 0 | 107 | L74 | K72-L74 PolarHBondContact O-N 3.33Å; K72-L74 VanDerWaalsContact O-N 3.07Å | |||
| 73 | S | 39.6 | Very low | 51.1 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 77% | 0.769 | 60% | 0.601 | S | S | * | * | trans | -47.2 | 106.9 | -171.1 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | V75 | S73-V75 VanDerWaalsContact C-N 3.29Å; S73-V75 PolarHBondContact O-N 3.08Å; S73-V75 VanDerWaalsContact O-N 3.1Å | ||
| 74 | L | 47.4 | Very low | 53.2 | Low | 171 Ų | 171 | 107.8 Ų | 107.8 | 90% | 0.895 | 58% | 0.575 | S | S | * | * | trans | -76.1 | 90.5 | 161.4 | -67.2 | 169.6 | 0 | 0 | 0 | 105.8 | K72 T76 | K72-L74 PolarHBondContact O-N 3.33Å; K72-L74 VanDerWaalsContact O-N 3.07Å; L74-T76 PolarHBondContact O-N 3.35Å; L74-T76 VanDerWaalsContact O-N 3.15Å | ||
| 75 | V | 54 | Low | 55.1 | Low | 64 Ų | 64 | 101.2 Ų | 101.2 | 39% | 0.388 | 54% | 0.542 | S | S | . | . | trans | -58.7 | 118.7 | 163.4 | 178 | 0 | 0 | 0 | 0 | 105.3 | S73 Q77 D79 L80 | S73-V75 VanDerWaalsContact C-N 3.29Å; S73-V75 PolarHBondContact O-N 3.08Å; S73-V75 VanDerWaalsContact O-N 3.1Å; V75-Q77 PolarHBondContact O-N 2.99Å; V75-D79 HydrophobicContact CG1-CB 3.88Å; V75-L80 HydrophobicContact CG1-CD2 3.91Å; V75-L80 HydrophobicContact CG1-CG 4.01Å | ||
| 76 | T | 67 | Low | 57.1 | Low | 79 Ų | 79 | 102.1 Ų | 102.1 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | trans | -58.3 | 130.7 | 176.2 | -21.9 | 0 | 0 | 0 | 0 | 106 | L74 E78 D79 | L74-T76 PolarHBondContact O-N 3.35Å; L74-T76 VanDerWaalsContact O-N 3.15Å; T76-E78 PolarHBondContact O-N 2.91Å; T76-D79 WeakPolarHBondContact CB-OD2 3.35Å; T76-D79 PolarHBondContact N-OD2 3.39Å; T76-D79 VanDerWaalsContact N-OD2 3.13Å; T76-D79 WeakPolarHBondContact O-CA 3.42Å; T76-D79 WeakPolarHBondContact O-CB 3.21Å; T76-D79 PolarHBondContact O-N 3.03Å; T76-D79 PolarHBondContact OG1-OD2 3.02Å | ||
| 77 | Q | 68.2 | Low | 58.6 | Low | 30 Ų | 30 | 103.9 Ų | 103.9 | 14% | 0.14 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -63.5 | -20.5 | -172.8 | -67.9 | 168.4 | -18 | 0 | 0 | 112.3 | V75 L80 F81 G110 E113 | V75-Q77 PolarHBondContact O-N 2.99Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 2.9Å; Q77-F81 WeakPolarHBondContact O-CD2 3.44Å; Q77-G110 PolarHBondContact NE2-O 3.32Å; Q77-E113 PolarHBondContact OE1-O 3.09Å |
| 78 | E | 66.6 | Low | 60.7 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 168.4 | -59 | -170 | 148.8 | 0 | 0 | 111.9 | T76 L80 F81 E82 A117 K120 | T76-E78 PolarHBondContact O-N 2.91Å; E78-L80 PolarHBondContact O-N 3.15Å; E78-F81 PolarHBondContact O-N 2.75Å; E78-F81 VanDerWaalsContact O-N 3.08Å; E78-E82 PolarHBondContact O-N 2.72Å; E78-A117 HydrophobicContact CG-CB 4.18Å; E78-K120 IonicContact OE1-NZ 3.74Å |
| 79 | D | 74.3 | Confident | 62.7 | Low | 54 Ų | 54 | 103.1 Ų | 103.1 | 29% | 0.289 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -27.4 | 176.8 | -52 | -25.1 | 0 | 0 | 0 | 111.8 | V75 T76 E82 Q83 | V75-D79 HydrophobicContact CG1-CB 3.88Å; T76-D79 WeakPolarHBondContact CB-OD2 3.35Å; T76-D79 PolarHBondContact N-OD2 3.39Å; T76-D79 VanDerWaalsContact N-OD2 3.13Å; T76-D79 WeakPolarHBondContact O-CA 3.42Å; T76-D79 WeakPolarHBondContact O-CB 3.21Å; T76-D79 PolarHBondContact O-N 3.03Å; T76-D79 PolarHBondContact OG1-OD2 3.02Å; D79-E82 PolarHBondContact O-N 3.05Å; D79-Q83 WeakPolarHBondContact O-CB 3.19Å; D79-Q83 WeakPolarHBondContact O-CG 3.32Å; D79-Q83 PolarHBondContact O-N 3.42Å |
| 80 | L | 78.5 | Confident | 65.5 | Low | 40 Ų | 40 | 96.9 Ų | 96.9 | 21% | 0.209 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.8 | -68.6 | 174.7 | 0 | 0 | 0 | 111.6 | V75 Q77 E78 E82 V84 F101 | V75-L80 HydrophobicContact CG1-CD2 3.91Å; V75-L80 HydrophobicContact CG1-CG 4.01Å; Q77-L80 WeakPolarHBondContact O-CB 3.24Å; Q77-L80 PolarHBondContact O-N 2.9Å; E78-L80 PolarHBondContact O-N 3.15Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 2.94Å; L80-F101 HydrophobicContact CD1-CD2 4.49Å |
| 81 | F | 79.3 | Confident | 68.3 | Low | 3 Ų | 3 | 92.2 Ų | 92.2 | 1% | 0.013 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.1 | -76 | -85.5 | 0 | 0 | 0 | 110.6 | Q77 E78 A85 F94 V97 F114 A117 A118 K121 F125 | Q77-F81 WeakPolarHBondContact O-CD2 3.44Å; E78-F81 PolarHBondContact O-N 2.75Å; E78-F81 VanDerWaalsContact O-N 3.08Å; F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 2.94Å; F81-F94 HydrophobicContact CD1-CD2 4.23Å; F81-F94 HydrophobicContact CD1-CE2 4.16Å; F81-F94 AromaticContact CE1-CD2 3.76Å; F81-F94 HydrophobicContact CE1-CD2 3.76Å; F81-F94 AromaticContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CE2 3.44Å; F81-F94 VanDerWaalsContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CZ 4.04Å; F81-F94 HydrophobicContact CZ-CE2 4.27Å; F81-V97 HydrophobicContact CD1-CB 4.33Å; F81-V97 HydrophobicContact CD1-CG1 3.88Å; F81-V97 HydrophobicContact CD1-CG2 4.25Å; F81-V97 HydrophobicContact CD2-CG1 4.27Å; F81-V97 HydrophobicContact CE1-CB 4.11Å; F81-V97 HydrophobicContact CE1-CG1 3.64Å; F81-V97 HydrophobicContact CE2-CG1 4.06Å; F81-V97 HydrophobicContact CG-CG1 4.18Å; F81-V97 HydrophobicContact CZ-CG1 3.73Å; F81-F114 HydrophobicContact CE2-CD2 4.16Å; F81-F114 AromaticContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CZ 4.3Å; F81-F114 AromaticContact CZ-CE2 3.81Å; F81-F114 HydrophobicContact CZ-CE2 3.81Å; F81-F114 AromaticContact CZ-CZ 3.98Å; F81-F114 HydrophobicContact CZ-CZ 3.98Å; F81-A117 HydrophobicContact CE2-CB 4.43Å; F81-A118 HydrophobicContact CE1-CB 4.44Å; F81-A118 HydrophobicContact CE2-CB 4.24Å; F81-A118 HydrophobicContact CZ-CB 3.6Å; F81-K121 HydrophobicContact CB-CG 4.48Å; F81-K121 HydrophobicContact CD1-CB 4.37Å; F81-K121 HydrophobicContact CG-CG 4.35Å; F81-F125 HydrophobicContact CD1-CE2 4.17Å; F81-F125 HydrophobicContact CD1-CZ 4.21Å |
| 82 | E | 81.4 | Confident | 70.7 | Confident | 112 Ų | 112 | 88.7 Ų | 88.7 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.2 | -38.6 | 178.3 | -65.1 | -174.9 | 177.4 | 0 | 0 | 113 | E78 D79 L80 K86 | E78-E82 PolarHBondContact O-N 2.72Å; D79-E82 PolarHBondContact O-N 3.05Å; L80-E82 VanDerWaalsContact C-N 3.34Å; E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 2.92Å |
| 83 | Q | 77.1 | Confident | 73.3 | Confident | 104 Ų | 104 | 80 Ų | 80 | 49% | 0.486 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | -180 | -78.2 | 171.2 | 26 | 0 | 0 | 113 | D79 | D79-Q83 WeakPolarHBondContact O-CB 3.19Å; D79-Q83 WeakPolarHBondContact O-CG 3.32Å; D79-Q83 PolarHBondContact O-N 3.42Å |
| 84 | V | 73.7 | Confident | 75.8 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -84.1 | -30.2 | -178.6 | 179 | 0 | 0 | 0 | 0 | 111.4 | L80 Q96 V97 | L80-V84 WeakPolarHBondContact O-CG2 3.43Å; L80-V84 PolarHBondContact O-N 2.94Å; V84-Q96 HydrophobicContact CG1-CG 4.45Å; V84-V97 HydrophobicContact CB-CG2 3.61Å; V84-V97 HydrophobicContact CG1-CG2 3.68Å; V84-V97 HydrophobicContact CG2-CG2 4.02Å |
| 85 | A | 72.3 | Confident | 77.9 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 13.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F81 E87 K89 F125 | F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 2.94Å; A85-E87 PolarHBondContact O-N 2.83Å; A85-E87 VanDerWaalsContact O-N 3.11Å; A85-K89 HydrophobicContact CB-CG 4.13Å; A85-F125 HydrophobicContact CB-CE1 3.54Å; A85-F125 HydrophobicContact CB-CZ 3.5Å; A85-F125 VanDerWaalsContact CB-CZ 3.5Å |
| 86 | K | 72.8 | Confident | 79.6 | Confident | 169 Ų | 169 | 69.3 Ų | 69.3 | 74% | 0.735 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29.5 | 178.4 | -70.3 | -172 | 175.3 | 175.2 | 0 | 113.5 | E82 | E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 2.92Å |
| 87 | E | 67.4 | Low | 80.7 | Confident | 190 Ų | 190 | 65.7 Ų | 65.7 | 89% | 0.888 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -100.4 | -38.1 | -172.1 | -63.5 | 178.5 | -179.8 | 0 | 0 | 113.1 | A85 | A85-E87 PolarHBondContact O-N 2.83Å; A85-E87 VanDerWaalsContact O-N 3.11Å |
| 88 | S | 77 | Confident | 81.7 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 39% | 0.392 | 33% | 0.328 | S | S | . | . | trans | -162.2 | 141.2 | 171.5 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | T90 T93 | S88-T90 PolarHBondContact O-N 3.19Å; S88-T90 PolarHBondContact OG-OG1 3.48Å; S88-T93 VanDerWaalsContact O-CG2 3.25Å; S88-T93 WeakPolarHBondContact O-CG2 3.28Å; S88-T93 PolarHBondContact O-OG1 3.48Å | ||
| 89 | K | 83.9 | Confident | 82.8 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | trans | -91.2 | 76.5 | 173.7 | -65.2 | -175 | -177 | -174.8 | 0 | 110.2 | A85 E124 F125 | A85-K89 HydrophobicContact CB-CG 4.13Å; K89-E124 HydrophobicContact CD-CB 4.28Å; K89-E124 IonicContact NZ-OE2 2.78Å; K89-E124 PolarHBondContact NZ-OE2 2.99Å; K89-F125 HydrophobicContact CB-CD1 3.85Å; K89-F125 HydrophobicContact CB-CE1 4.04Å; K89-F125 HydrophobicContact CB-CG 4.26Å; K89-F125 HydrophobicContact CG-CD1 4.38Å; K89-F125 HydrophobicContact CG-CE1 4.1Å; K89-F125 HydrophobicContact CG-CZ 4.26Å | ||
| 90 | T | 90.1 | Very high | 83.5 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | trans | -111.4 | 155.5 | -178.2 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | S88 A92 T93 F94 | S88-T90 PolarHBondContact O-N 3.19Å; S88-T90 PolarHBondContact OG-OG1 3.48Å; T90-A92 PolarHBondContact O-N 2.69Å; T90-T93 PolarHBondContact N-OG1 2.9Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.95Å; T90-F94 PolarHBondContact O-N 3.15Å; T90-F94 VanDerWaalsContact O-N 3.08Å | ||
| 91 | K | 89.5 | Confident | 83.9 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -45.2 | -40 | 169.9 | 173.1 | 175.7 | 166.6 | 172.1 | 0 | 113.8 | F94 N95 V127 D130 | K91-F94 PolarHBondContact O-N 3.3Å; K91-N95 PolarHBondContact O-N 3.02Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-ND2 3.35Å; K91-V127 HydrophobicContact CB-CG1 3.74Å; K91-V127 HydrophobicContact CG-CG1 3.94Å; K91-D130 WeakPolarHBondContact CD-OD2 3.27Å; K91-D130 WeakPolarHBondContact CE-OD2 3.37Å; K91-D130 IonicContact NZ-OD2 2.61Å; K91-D130 PolarHBondContact NZ-OD2 3.07Å |
| 92 | A | 89.1 | Confident | 84.3 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | T90 F94 N95 Q96 | T90-A92 PolarHBondContact O-N 2.69Å; A92-F94 PolarHBondContact O-N 3.2Å; A92-N95 PolarHBondContact O-N 3.21Å; A92-Q96 WeakPolarHBondContact O-CB 3.35Å; A92-Q96 PolarHBondContact O-N 3.29Å |
| 93 | T | 90.6 | Very high | 84.5 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 177.6 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | S88 T90 N95 Q96 V97 F125 | S88-T93 VanDerWaalsContact O-CG2 3.25Å; S88-T93 WeakPolarHBondContact O-CG2 3.28Å; S88-T93 PolarHBondContact O-OG1 3.48Å; T90-T93 PolarHBondContact N-OG1 2.9Å; T90-T93 PolarHBondContact O-N 3.08Å; T90-T93 PolarHBondContact O-OG1 2.95Å; T93-N95 PolarHBondContact O-N 3.13Å; T93-Q96 WeakPolarHBondContact O-CB 3.25Å; T93-Q96 PolarHBondContact O-N 3.35Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.96Å; T93-F125 WeakPolarHBondContact OG1-CE1 3.47Å |
| 94 | F | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.5 | -167 | -89.5 | 0 | 0 | 0 | 111.9 | F81 T90 K91 A92 Q96 V97 I98 A118 M122 F125 V127 V133 | F81-F94 HydrophobicContact CD1-CD2 4.23Å; F81-F94 HydrophobicContact CD1-CE2 4.16Å; F81-F94 AromaticContact CE1-CD2 3.76Å; F81-F94 HydrophobicContact CE1-CD2 3.76Å; F81-F94 AromaticContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CE2 3.44Å; F81-F94 VanDerWaalsContact CE1-CE2 3.44Å; F81-F94 HydrophobicContact CE1-CZ 4.04Å; F81-F94 HydrophobicContact CZ-CE2 4.27Å; T90-F94 PolarHBondContact O-N 3.15Å; T90-F94 VanDerWaalsContact O-N 3.08Å; K91-F94 PolarHBondContact O-N 3.3Å; A92-F94 PolarHBondContact O-N 3.2Å; F94-Q96 VanDerWaalsContact C-N 3.3Å; F94-Q96 PolarHBondContact O-N 3.21Å; F94-V97 PolarHBondContact O-N 3.47Å; F94-I98 HydrophobicContact CD1-CD1 3.9Å; F94-I98 HydrophobicContact CE1-CD1 3.72Å; F94-I98 HydrophobicContact CE1-CG1 4.38Å; F94-I98 PolarHBondContact O-N 3.01Å; F94-A118 HydrophobicContact CZ-CB 4.01Å; F94-M122 HydrophobicContact CE1-CG 4.25Å; F94-M122 HydrophobicContact CE2-CG 4.1Å; F94-M122 HydrophobicContact CZ-CG 3.57Å; F94-F125 HydrophobicContact CB-CB 4.29Å; F94-F125 HydrophobicContact CB-CD1 3.97Å; F94-F125 HydrophobicContact CB-CG 4.2Å; F94-F125 HydrophobicContact CD2-CB 4Å; F94-F125 HydrophobicContact CD2-CD1 4.13Å; F94-F125 AromaticContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CE2 4.22Å; F94-F125 AromaticContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CE2-CD2 4.3Å; F94-F125 HydrophobicContact CG-CB 4.46Å; F94-F125 HydrophobicContact CG-CG 4.41Å; F94-V127 HydrophobicContact CB-CG1 4.44Å; F94-V127 HydrophobicContact CD1-CG2 3.99Å; F94-V127 HydrophobicContact CD2-CG2 4.13Å; F94-V127 HydrophobicContact CE1-CG2 4.14Å; F94-V127 HydrophobicContact CE2-CG2 4.27Å; F94-V127 HydrophobicContact CG-CG2 3.98Å; F94-V127 HydrophobicContact CZ-CG2 4.27Å; F94-V133 HydrophobicContact CD1-CG1 3.6Å; F94-V133 HydrophobicContact CE1-CG1 3.33Å; F94-V133 HydrophobicContact CZ-CG1 4.44Å |
| 95 | N | 91.6 | Very high | 84.6 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.7 | -78.8 | -68.5 | 0 | 0 | 0 | 112 | K91 A92 T93 V97 I98 D99 K136 | K91-N95 PolarHBondContact O-N 3.02Å; K91-N95 VanDerWaalsContact O-N 3.09Å; K91-N95 PolarHBondContact O-ND2 3.35Å; A92-N95 PolarHBondContact O-N 3.21Å; T93-N95 PolarHBondContact O-N 3.13Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 3.4Å; N95-I98 PolarHBondContact O-N 2.92Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 3.47Å; N95-K136 WeakPolarHBondContact OD1-CD 3.26Å; N95-K136 WeakPolarHBondContact OD1-CE 3.45Å; N95-K136 PolarHBondContact OD1-NZ 2.88Å |
| 96 | Q | 89.6 | Confident | 84.6 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.2 | -174.2 | -179.8 | 0.5 | 0 | 0 | 111.7 | V84 A92 T93 F94 I98 D99 V100 | V84-Q96 HydrophobicContact CG1-CG 4.45Å; A92-Q96 WeakPolarHBondContact O-CB 3.35Å; A92-Q96 PolarHBondContact O-N 3.29Å; T93-Q96 WeakPolarHBondContact O-CB 3.25Å; T93-Q96 PolarHBondContact O-N 3.35Å; F94-Q96 VanDerWaalsContact C-N 3.3Å; F94-Q96 PolarHBondContact O-N 3.21Å; Q96-I98 PolarHBondContact O-N 2.74Å; Q96-D99 PolarHBondContact O-N 3.11Å; Q96-V100 HydrophobicContact CG-CG2 4.42Å; Q96-V100 WeakPolarHBondContact O-CB 3.38Å; Q96-V100 VanDerWaalsContact O-CG2 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 3.12Å |
| 97 | V | 89.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | F81 V84 T93 F94 N95 D99 V100 F101 F114 | F81-V97 HydrophobicContact CD1-CB 4.33Å; F81-V97 HydrophobicContact CD1-CG1 3.88Å; F81-V97 HydrophobicContact CD1-CG2 4.25Å; F81-V97 HydrophobicContact CD2-CG1 4.27Å; F81-V97 HydrophobicContact CE1-CB 4.11Å; F81-V97 HydrophobicContact CE1-CG1 3.64Å; F81-V97 HydrophobicContact CE2-CG1 4.06Å; F81-V97 HydrophobicContact CG-CG1 4.18Å; F81-V97 HydrophobicContact CZ-CG1 3.73Å; V84-V97 HydrophobicContact CB-CG2 3.61Å; V84-V97 HydrophobicContact CG1-CG2 3.68Å; V84-V97 HydrophobicContact CG2-CG2 4.02Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.96Å; F94-V97 PolarHBondContact O-N 3.47Å; N95-V97 VanDerWaalsContact C-N 3.32Å; N95-V97 PolarHBondContact O-N 3.4Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.88Å; V97-V100 PolarHBondContact O-N 3.12Å; V97-F101 PolarHBondContact O-N 3.08Å; V97-F114 HydrophobicContact CG1-CE2 4.03Å; V97-F114 HydrophobicContact CG1-CZ 4.23Å |
| 98 | I | 90.1 | Very high | 84.9 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.5 | -61.5 | 169.9 | 0 | 0 | 0 | 110.8 | F94 N95 Q96 F101 T102 F114 V133 K136 L137 V140 | F94-I98 HydrophobicContact CD1-CD1 3.9Å; F94-I98 HydrophobicContact CE1-CD1 3.72Å; F94-I98 HydrophobicContact CE1-CG1 4.38Å; F94-I98 PolarHBondContact O-N 3.01Å; N95-I98 PolarHBondContact O-N 2.92Å; Q96-I98 PolarHBondContact O-N 2.74Å; I98-F101 PolarHBondContact O-N 3.43Å; I98-T102 WeakPolarHBondContact O-CB 3.49Å; I98-T102 PolarHBondContact O-N 3.07Å; I98-T102 PolarHBondContact O-OG1 3.16Å; I98-F114 HydrophobicContact CG1-CE1 4.37Å; I98-F114 HydrophobicContact CG1-CZ 4.22Å; I98-V133 HydrophobicContact CD1-CG1 4.37Å; I98-K136 HydrophobicContact CD1-CB 4.33Å; I98-L137 HydrophobicContact CD1-CD2 3.74Å; I98-L137 HydrophobicContact CD1-CG 4.14Å; I98-L137 HydrophobicContact CG1-CD2 4.08Å; I98-V140 HydrophobicContact CG2-CG2 4Å |
| 99 | D | 89.8 | Confident | 85 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 179.5 | -69.2 | -19.8 | 0 | 0 | 0 | 111.6 | N95 Q96 V97 T102 K103 | N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 3.47Å; Q96-D99 PolarHBondContact O-N 3.11Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 2.88Å; D99-T102 PolarHBondContact O-N 3.23Å; D99-K103 WeakPolarHBondContact O-CB 3.38Å; D99-K103 VanDerWaalsContact O-CG 3.23Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.32Å |
| 100 | V | 89.4 | Confident | 85 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 175 | 169.2 | 0 | 0 | 0 | 0 | 110 | Q96 V97 T102 K103 T104 | Q96-V100 HydrophobicContact CG-CG2 4.42Å; Q96-V100 WeakPolarHBondContact O-CB 3.38Å; Q96-V100 VanDerWaalsContact O-CG2 3.25Å; Q96-V100 WeakPolarHBondContact O-CG2 3.41Å; Q96-V100 PolarHBondContact O-N 3.12Å; V97-V100 PolarHBondContact O-N 3.12Å; V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 PolarHBondContact O-N 2.94Å; V100-K103 PolarHBondContact O-N 2.62Å; V100-T104 WeakPolarHBondContact O-CB 3.47Å; V100-T104 PolarHBondContact O-N 3.06Å; V100-T104 PolarHBondContact O-OG1 2.8Å |
| 101 | F | 87.1 | Confident | 84.9 | Confident | 18 Ų | 18 | 68 Ų | 68 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 177.8 | -178.2 | -97.5 | 0 | 0 | 0 | 112 | L80 V97 I98 K103 T104 D105 H111 F114 V140 | L80-F101 HydrophobicContact CD1-CD2 4.49Å; V97-F101 PolarHBondContact O-N 3.08Å; I98-F101 PolarHBondContact O-N 3.43Å; F101-K103 VanDerWaalsContact C-N 3.31Å; F101-K103 PolarHBondContact O-N 3.04Å; F101-T104 PolarHBondContact O-N 3.32Å; F101-D105 PolarHBondContact O-N 3.24Å; F101-H111 HydrophobicContact CE1-CB 4.5Å; F101-F114 HydrophobicContact CB-CD2 4.33Å; F101-F114 HydrophobicContact CB-CE1 4.25Å; F101-F114 HydrophobicContact CB-CE2 3.85Å; F101-F114 HydrophobicContact CB-CZ 3.81Å; F101-F114 AromaticContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD2 4.37Å; F101-F114 AromaticContact CD1-CE1 3.97Å; F101-F114 HydrophobicContact CD1-CE1 3.97Å; F101-F114 AromaticContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CZ 4.35Å; F101-F114 HydrophobicContact CD2-CB 4.37Å; F101-F114 HydrophobicContact CD2-CD1 4.48Å; F101-F114 AromaticContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CE2 4.02Å; F101-F114 AromaticContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CE1-CB 4.17Å; F101-F114 AromaticContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CG 4.01Å; F101-F114 HydrophobicContact CE2-CB 3.88Å; F101-F114 AromaticContact CE2-CD2 4Å; F101-F114 HydrophobicContact CE2-CD2 4Å; F101-F114 AromaticContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CG-CD1 4.06Å; F101-F114 AromaticContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CE1 4.09Å; F101-F114 AromaticContact CG-CE2 3.88Å; F101-F114 HydrophobicContact CG-CE2 3.88Å; F101-F114 AromaticContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CZ 4.01Å; F101-F114 HydrophobicContact CZ-CB 3.77Å; F101-F114 HydrophobicContact CZ-CD1 4.38Å; F101-F114 AromaticContact CZ-CG 3.96Å; F101-F114 HydrophobicContact CZ-CG 3.96Å; F101-V140 HydrophobicContact CD1-CG1 3.85Å; F101-V140 HydrophobicContact CE1-CG1 3.55Å |
| 102 | T | 86.1 | Confident | 85 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.6 | -32.5 | -179.6 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | I98 D99 V100 | I98-T102 WeakPolarHBondContact O-CB 3.49Å; I98-T102 PolarHBondContact O-N 3.07Å; I98-T102 PolarHBondContact O-OG1 3.16Å; D99-T102 PolarHBondContact O-N 3.23Å; V100-T102 VanDerWaalsContact C-N 3.3Å; V100-T102 PolarHBondContact O-N 2.94Å |
| 103 | K | 86.2 | Confident | 85.1 | Confident | 166 Ų | 166 | 67.3 Ų | 67.3 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -81.2 | -35.1 | 177.6 | -72.7 | 170.4 | -175.9 | 171.8 | 0 | 113 | D99 V100 F101 | D99-K103 WeakPolarHBondContact O-CB 3.38Å; D99-K103 VanDerWaalsContact O-CG 3.23Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.32Å; V100-K103 PolarHBondContact O-N 2.62Å; F101-K103 VanDerWaalsContact C-N 3.31Å; F101-K103 PolarHBondContact O-N 3.04Å |
| 104 | T | 80.3 | Confident | 85.1 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -72.4 | -36.5 | -175.4 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | V100 F101 | V100-T104 WeakPolarHBondContact O-CB 3.47Å; V100-T104 PolarHBondContact O-N 3.06Å; V100-T104 PolarHBondContact O-OG1 2.8Å; F101-T104 PolarHBondContact O-N 3.32Å |
| 105 | D | 72.3 | Confident | 85.2 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | trans | -124.8 | 105 | 177 | -168.9 | 1.1 | 0 | 0 | 0 | 113.1 | F101 R107 R108 R109 | F101-D105 PolarHBondContact O-N 3.24Å; D105-R107 PolarHBondContact O-N 3.09Å; D105-R107 WeakPolarHBondContact OD1-CA 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.15Å; D105-R108 WeakPolarHBondContact O-CG 3.21Å; D105-R108 PolarHBondContact O-N 3.37Å; D105-R108 PolarHBondContact OD1-N 2.82Å; D105-R109 WeakPolarHBondContact OD2-CB 3.32Å; D105-R109 WeakPolarHBondContact OD2-CG 3.47Å; D105-R109 PolarHBondContact OD2-N 3.09Å | ||
| 106 | I | 71.8 | Confident | 85.3 | Confident | 164 Ų | 164 | 69 Ų | 69 | 84% | 0.841 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -31.5 | 175.6 | -55 | 169.6 | 0 | 0 | 0 | 111.2 | R108 | I106-R108 VanDerWaalsContact C-N 3.33Š|
| 107 | R | 70 | Confident | 85.4 | Confident | 182 Ų | 182 | 64.6 Ų | 64.6 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.8 | 179.9 | -65.2 | -179.2 | 176.3 | 173 | -1.5 | 112.7 | D105 R109 | D105-R107 PolarHBondContact O-N 3.09Å; D105-R107 WeakPolarHBondContact OD1-CA 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.15Å; R107-R109 VanDerWaalsContact C-N 3.27Å; R107-R109 HydrophobicContact CB-CG 4.12Å; R107-R109 PolarHBondContact O-N 3.21Å |
| 108 | R | 77 | Confident | 85.5 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | trans | 49.6 | 46.9 | 177.4 | -50.4 | -170.9 | -176.9 | 177.9 | -14.6 | 112.3 | D105 I106 H111 D139 V140 F141 | D105-R108 WeakPolarHBondContact O-CG 3.21Å; D105-R108 PolarHBondContact O-N 3.37Å; D105-R108 PolarHBondContact OD1-N 2.82Å; I106-R108 VanDerWaalsContact C-N 3.33Å; R108-H111 PolarHBondContact O-ND1 3.39Å; R108-D139 PolarHBondContact NH1-O 3.23Å; R108-D139 PolarHBondContact NH2-O 3.4Å; R108-V140 WeakPolarHBondContact CD-O 3.28Å; R108-V140 VanDerWaalsContact NH1-C 3.28Å; R108-V140 PolarHBondContact NH1-O 2.9Å; R108-F141 PolarHBondContact NH1-O 3.45Å | ||
| 109 | R | 79.1 | Confident | 85.7 | Confident | 165 Ų | 165 | 64.8 Ų | 64.8 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 142.9 | 177.5 | -63.1 | 176.1 | 167 | -171.8 | -5.7 | 108.9 | D105 R107 H111 | D105-R109 WeakPolarHBondContact OD2-CB 3.32Å; D105-R109 WeakPolarHBondContact OD2-CG 3.47Å; D105-R109 PolarHBondContact OD2-N 3.09Å; R107-R109 VanDerWaalsContact C-N 3.27Å; R107-R109 HydrophobicContact CB-CG 4.12Å; R107-R109 PolarHBondContact O-N 3.21Å; R109-H111 VanDerWaalsContact C-N 3.25Å; R109-H111 PolarHBondContact O-N 3.4Å |
| 110 | G | 84.8 | Confident | 85.8 | Confident | 27 Ų | 27 | 68 Ų | 68 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 16.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q77 V112 E113 F114 | Q77-G110 PolarHBondContact NE2-O 3.32Å; G110-V112 PolarHBondContact O-N 2.94Å; G110-E113 PolarHBondContact O-N 3.01Å; G110-E113 VanDerWaalsContact O-N 3.16Å; G110-F114 PolarHBondContact O-N 2.75Å |
| 111 | H | 88.4 | Confident | 85.9 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.7 | -34.5 | 178.3 | 56.3 | -89.8 | 0 | 0 | 0 | 113.6 | F101 R108 R109 F114 I115 V140 F141 F146 | F101-H111 HydrophobicContact CE1-CB 4.5Å; R108-H111 PolarHBondContact O-ND1 3.39Å; R109-H111 VanDerWaalsContact C-N 3.25Å; R109-H111 PolarHBondContact O-N 3.4Å; H111-F114 PolarHBondContact O-N 2.85Å; H111-I115 WeakPolarHBondContact O-CB 3.42Å; H111-I115 WeakPolarHBondContact O-CD1 3.45Å; H111-I115 WeakPolarHBondContact O-CG1 3.48Å; H111-I115 PolarHBondContact O-N 2.88Å; H111-V140 HydrophobicContact CB-CG1 3.89Å; H111-F141 AromaticContact CD2-CD1 3.4Å; H111-F141 WeakPolarHBondContact CD2-CD1 3.09Å; H111-F141 AromaticContact CD2-CE1 3.57Å; H111-F141 AromaticContact NE2-CD1 3.81Å; H111-F146 AromaticContact NE2-CZ 3.74Å |
| 112 | V | 90.4 | Very high | 86.1 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -50.1 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 111 | G110 F114 I115 Y116 F141 Q162 C165 | G110-V112 PolarHBondContact O-N 2.94Å; V112-F114 VanDerWaalsContact C-N 3.25Å; V112-F114 PolarHBondContact O-N 3.01Å; V112-I115 PolarHBondContact O-N 3.28Å; V112-Y116 HydrophobicContact CG1-CD2 3.84Å; V112-Y116 HydrophobicContact CG1-CE2 3.37Å; V112-Y116 WeakPolarHBondContact O-CD2 3.27Å; V112-Y116 PolarHBondContact O-N 3.13Å; V112-F141 HydrophobicContact CG2-CE1 4.49Å; V112-Q162 HydrophobicContact CG2-CG 3.9Å; V112-C165 HydrophobicContact CG1-CB 3.98Å; V112-C165 HydrophobicContact CG2-CB 4.5Å |
| 113 | E | 90.6 | Very high | 86.4 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.5 | -39.1 | 177.7 | -65.9 | 164.2 | -170.2 | 0 | 0 | 110.2 | Q77 G110 I115 Y116 A117 | Q77-E113 PolarHBondContact OE1-O 3.09Å; G110-E113 PolarHBondContact O-N 3.01Å; G110-E113 VanDerWaalsContact O-N 3.16Å; E113-I115 PolarHBondContact O-N 2.85Å; E113-Y116 PolarHBondContact O-N 3.31Å; E113-A117 PolarHBondContact O-N 3.28Å |
| 114 | F | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -43.4 | -178.1 | 172.7 | -99.6 | 0 | 0 | 0 | 110.5 | F81 V97 I98 F101 G110 H111 V112 A117 A118 L137 V140 | F81-F114 HydrophobicContact CE2-CD2 4.16Å; F81-F114 AromaticContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CE2 3.67Å; F81-F114 HydrophobicContact CE2-CZ 4.3Å; F81-F114 AromaticContact CZ-CE2 3.81Å; F81-F114 HydrophobicContact CZ-CE2 3.81Å; F81-F114 AromaticContact CZ-CZ 3.98Å; F81-F114 HydrophobicContact CZ-CZ 3.98Å; V97-F114 HydrophobicContact CG1-CE2 4.03Å; V97-F114 HydrophobicContact CG1-CZ 4.23Å; I98-F114 HydrophobicContact CG1-CE1 4.37Å; I98-F114 HydrophobicContact CG1-CZ 4.22Å; F101-F114 HydrophobicContact CB-CD2 4.33Å; F101-F114 HydrophobicContact CB-CE1 4.25Å; F101-F114 HydrophobicContact CB-CE2 3.85Å; F101-F114 HydrophobicContact CB-CZ 3.81Å; F101-F114 AromaticContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD1 3.78Å; F101-F114 HydrophobicContact CD1-CD2 4.37Å; F101-F114 AromaticContact CD1-CE1 3.97Å; F101-F114 HydrophobicContact CD1-CE1 3.97Å; F101-F114 AromaticContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CG 3.99Å; F101-F114 HydrophobicContact CD1-CZ 4.35Å; F101-F114 HydrophobicContact CD2-CB 4.37Å; F101-F114 HydrophobicContact CD2-CD1 4.48Å; F101-F114 AromaticContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CD2 3.64Å; F101-F114 HydrophobicContact CD2-CE2 4.02Å; F101-F114 AromaticContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CD2-CG 3.9Å; F101-F114 HydrophobicContact CE1-CB 4.17Å; F101-F114 AromaticContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CD1 3.96Å; F101-F114 HydrophobicContact CE1-CG 4.01Å; F101-F114 HydrophobicContact CE2-CB 3.88Å; F101-F114 AromaticContact CE2-CD2 4Å; F101-F114 HydrophobicContact CE2-CD2 4Å; F101-F114 AromaticContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CE2-CG 3.91Å; F101-F114 HydrophobicContact CG-CD1 4.06Å; F101-F114 AromaticContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CD2 3.85Å; F101-F114 HydrophobicContact CG-CE1 4.09Å; F101-F114 AromaticContact CG-CE2 3.88Å; F101-F114 HydrophobicContact CG-CE2 3.88Å; F101-F114 AromaticContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CG 3.94Å; F101-F114 HydrophobicContact CG-CZ 4.01Å; F101-F114 HydrophobicContact CZ-CB 3.77Å; F101-F114 HydrophobicContact CZ-CD1 4.38Å; F101-F114 AromaticContact CZ-CG 3.96Å; F101-F114 HydrophobicContact CZ-CG 3.96Å; G110-F114 PolarHBondContact O-N 2.75Å; H111-F114 PolarHBondContact O-N 2.85Å; V112-F114 VanDerWaalsContact C-N 3.25Å; V112-F114 PolarHBondContact O-N 3.01Å; F114-A117 PolarHBondContact O-N 3.15Å; F114-A118 VanDerWaalsContact O-CB 3.24Å; F114-A118 WeakPolarHBondContact O-CB 3.29Å; F114-A118 PolarHBondContact O-N 2.9Å; F114-L137 HydrophobicContact CE1-CD2 4.39Å; F114-V140 HydrophobicContact CD1-CG1 4.3Å; F114-V140 HydrophobicContact CE1-CG2 4.33Å |
| 115 | I | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.4 | -69.2 | 165.8 | 0 | 0 | 0 | 109.8 | H111 V112 E113 A117 A118 L119 V140 F141 V169 | H111-I115 WeakPolarHBondContact O-CB 3.42Å; H111-I115 WeakPolarHBondContact O-CD1 3.45Å; H111-I115 WeakPolarHBondContact O-CG1 3.48Å; H111-I115 PolarHBondContact O-N 2.88Å; V112-I115 PolarHBondContact O-N 3.28Å; E113-I115 PolarHBondContact O-N 2.85Å; I115-A117 PolarHBondContact O-N 2.95Å; I115-A118 WeakPolarHBondContact O-CB 3.31Å; I115-A118 PolarHBondContact O-N 3.05Å; I115-L119 HydrophobicContact CG2-CD1 3.95Å; I115-L119 HydrophobicContact CG2-CG 4.08Å; I115-L119 VanDerWaalsContact O-CG 3.24Å; I115-L119 WeakPolarHBondContact O-CG 3.19Å; I115-L119 PolarHBondContact O-N 3.26Å; I115-V140 HydrophobicContact CD1-CB 4.49Å; I115-F141 HydrophobicContact CD1-CD1 4.43Å; I115-F141 HydrophobicContact CD1-CD2 3.83Å; I115-F141 HydrophobicContact CD1-CE1 3.98Å; I115-F141 HydrophobicContact CD1-CE2 3.32Å; I115-F141 HydrophobicContact CD1-CG 4.36Å; I115-F141 HydrophobicContact CD1-CZ 3.4Å; I115-F141 VanDerWaalsContact CD1-CZ 3.4Å; I115-V169 HydrophobicContact CG2-CG2 3.61Å |
| 116 | Y | 93.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 58 Ų | 58 | 26% | 0.263 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177 | -68.6 | -37.9 | 0 | 0 | 0 | 113 | V112 E113 A118 L119 K120 C165 Q168 | V112-Y116 HydrophobicContact CG1-CD2 3.84Å; V112-Y116 HydrophobicContact CG1-CE2 3.37Å; V112-Y116 WeakPolarHBondContact O-CD2 3.27Å; V112-Y116 PolarHBondContact O-N 3.13Å; E113-Y116 PolarHBondContact O-N 3.31Å; Y116-A118 VanDerWaalsContact C-N 3.31Å; Y116-A118 PolarHBondContact O-N 2.85Å; Y116-L119 HydrophobicContact CD1-CD1 4.42Å; Y116-L119 PolarHBondContact O-N 2.86Å; Y116-K120 PolarHBondContact O-N 3.35Å; Y116-K120 VanDerWaalsContact O-N 3.11Å; Y116-C165 HydrophobicContact CE1-CB 3.94Å; Y116-C165 HydrophobicContact CE2-CB 4.49Å; Y116-C165 WeakPolarHBondContact OH-CA 3.29Å; Y116-C165 WeakPolarHBondContact OH-CB 3.33Å; Y116-C165 PolarHBondContact OH-N 3.2Å; Y116-Q168 HydrophobicContact CE1-CB 4.17Å; Y116-Q168 HydrophobicContact CE1-CG 4.26Å; Y116-Q168 PolarHBondContact OH-NE2 2.62Å |
| 117 | A | 92.4 | Very high | 88.8 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E78 F81 E113 F114 I115 K120 K121 | E78-A117 HydrophobicContact CG-CB 4.18Å; F81-A117 HydrophobicContact CE2-CB 4.43Å; E113-A117 PolarHBondContact O-N 3.28Å; F114-A117 PolarHBondContact O-N 3.15Å; I115-A117 PolarHBondContact O-N 2.95Å; A117-K120 PolarHBondContact O-N 3.2Å; A117-K121 WeakPolarHBondContact O-CG 3.4Å; A117-K121 PolarHBondContact O-N 2.91Å |
| 118 | A | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F81 F94 F114 I115 Y116 K120 K121 M122 L137 | F81-A118 HydrophobicContact CE1-CB 4.44Å; F81-A118 HydrophobicContact CE2-CB 4.24Å; F81-A118 HydrophobicContact CZ-CB 3.6Å; F94-A118 HydrophobicContact CZ-CB 4.01Å; F114-A118 VanDerWaalsContact O-CB 3.24Å; F114-A118 WeakPolarHBondContact O-CB 3.29Å; F114-A118 PolarHBondContact O-N 2.9Å; I115-A118 WeakPolarHBondContact O-CB 3.31Å; I115-A118 PolarHBondContact O-N 3.05Å; Y116-A118 VanDerWaalsContact C-N 3.31Å; Y116-A118 PolarHBondContact O-N 2.85Å; A118-K120 VanDerWaalsContact C-N 3.28Å; A118-K120 PolarHBondContact O-N 3.17Å; A118-K121 CarbonylContact O-C 3.55Å; A118-K121 PolarHBondContact O-N 3.37Å; A118-M122 VanDerWaalsContact O-CG 3.3Å; A118-M122 WeakPolarHBondContact O-CG 3.11Å; A118-M122 PolarHBondContact O-N 3.16Å; A118-L137 HydrophobicContact CB-CD1 4.39Å; A118-L137 HydrophobicContact CB-CD2 3.66Å |
| 119 | L | 93.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -39.5 | 179.7 | -65.1 | 173.8 | 0 | 0 | 0 | 111.5 | I115 Y116 K121 M122 Y134 L137 V169 Q172 | I115-L119 HydrophobicContact CG2-CD1 3.95Å; I115-L119 HydrophobicContact CG2-CG 4.08Å; I115-L119 VanDerWaalsContact O-CG 3.24Å; I115-L119 WeakPolarHBondContact O-CG 3.19Å; I115-L119 PolarHBondContact O-N 3.26Å; Y116-L119 HydrophobicContact CD1-CD1 4.42Å; Y116-L119 PolarHBondContact O-N 2.86Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-M122 HydrophobicContact CD2-SD 4Å; L119-Y134 HydrophobicContact CD2-CD1 4.43Å; L119-Y134 HydrophobicContact CD2-CE1 3.88Å; L119-L137 HydrophobicContact CD2-CD1 4.03Å; L119-V169 HydrophobicContact CD1-CG2 3.99Å; L119-V169 HydrophobicContact CD2-CG2 4.17Å; L119-Q172 PolarHBondContact O-NE2 2.89Å |
| 120 | K | 92.8 | Very high | 91.1 | Very high | 138 Ų | 138 | 42.3 Ų | 42.3 | 60% | 0.6 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.3 | -37 | 175.6 | -175.6 | -179.4 | 174.1 | -170 | 0 | 112.1 | E78 Y116 A117 A118 P123 | E78-K120 IonicContact OE1-NZ 3.74Å; Y116-K120 PolarHBondContact O-N 3.35Å; Y116-K120 VanDerWaalsContact O-N 3.11Å; A117-K120 PolarHBondContact O-N 3.2Å; A118-K120 VanDerWaalsContact C-N 3.28Å; A118-K120 PolarHBondContact O-N 3.17Å; K120-P123 WeakPolarHBondContact O-CD 3.28Å |
| 121 | K | 91 | Very high | 91.6 | Very high | 27 Ų | 27 | 43 Ų | 43 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -83.9 | -18.5 | -179.1 | -68 | -63.3 | -174.9 | 176.8 | 0 | 114 | F81 A117 A118 L119 P123 E124 F125 | F81-K121 HydrophobicContact CB-CG 4.48Å; F81-K121 HydrophobicContact CD1-CB 4.37Å; F81-K121 HydrophobicContact CG-CG 4.35Å; A117-K121 WeakPolarHBondContact O-CG 3.4Å; A117-K121 PolarHBondContact O-N 2.91Å; A118-K121 CarbonylContact O-C 3.55Å; A118-K121 PolarHBondContact O-N 3.37Å; L119-K121 VanDerWaalsContact C-N 3.34Å; K121-P123 VanDerWaalsContact C-CD 3.42Å; K121-P123 VanDerWaalsContact C-N 3.35Å; K121-P123 VanDerWaalsContact O-N 3.17Å; K121-E124 VanDerWaalsContact CD-CD 3.46Å; K121-E124 HydrophobicContact CD-CG 4.44Å; K121-E124 WeakPolarHBondContact CD-OE1 3.33Å; K121-E124 WeakPolarHBondContact CE-OE1 3.4Å; K121-E124 IonicContact NZ-OE1 2.75Å; K121-E124 PolarHBondContact NZ-OE1 3.23Å; K121-E124 IonicContact NZ-OE2 3.27Å; K121-E124 PolarHBondContact NZ-OE2 2.87Å; K121-E124 WeakPolarHBondContact O-CB 3.49Å; K121-E124 PolarHBondContact O-N 3.33Å; K121-F125 HydrophobicContact CB-CD2 4.33Å; K121-F125 HydrophobicContact CB-CE2 4.1Å; K121-F125 VanDerWaalsContact O-CD2 3.32Å; K121-F125 WeakPolarHBondContact O-CD2 3.41Å; K121-F125 PolarHBondContact O-N 2.88Å |
| 122 | M | 91.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -48.4 | -43.7 | -178.3 | -73.2 | -175.9 | 78.6 | 0 | 0 | 115.2 | F94 A118 L119 E124 F125 G126 V127 E128 V133 Y134 L137 | F94-M122 HydrophobicContact CE1-CG 4.25Å; F94-M122 HydrophobicContact CE2-CG 4.1Å; F94-M122 HydrophobicContact CZ-CG 3.57Å; A118-M122 VanDerWaalsContact O-CG 3.3Å; A118-M122 WeakPolarHBondContact O-CG 3.11Å; A118-M122 PolarHBondContact O-N 3.16Å; L119-M122 HydrophobicContact CD2-SD 4Å; M122-E124 VanDerWaalsContact C-N 3.32Å; M122-E124 PolarHBondContact O-N 3.29Å; M122-F125 PolarHBondContact O-N 2.84Å; M122-G126 PolarHBondContact O-N 3.09Å; M122-V127 HydrophobicContact CB-CG2 3.9Å; M122-V127 HydrophobicContact CE-CB 4.48Å; M122-V127 HydrophobicContact CE-CG2 4.01Å; M122-V127 VanDerWaalsContact CE-O 3.23Å; M122-V127 WeakPolarHBondContact CE-O 3.25Å; M122-V127 HydrophobicContact CG-CG2 3.91Å; M122-V127 WeakPolarHBondContact O-CG2 3.43Å; M122-V127 PolarHBondContact O-N 3.17Å; M122-E128 HydrophobicContact CB-CB 4.4Å; M122-V133 HydrophobicContact CE-CB 4.29Å; M122-V133 HydrophobicContact CE-CG1 3.79Å; M122-Y134 HydrophobicContact CE-CD1 4.19Å; M122-Y134 HydrophobicContact CE-CD2 4.03Å; M122-Y134 HydrophobicContact CE-CE1 3.75Å; M122-Y134 HydrophobicContact CE-CE2 3.54Å; M122-Y134 HydrophobicContact CE-CG 4.33Å; M122-Y134 HydrophobicContact SD-CD1 4.27Å; M122-Y134 HydrophobicContact SD-CE1 3.58Å; M122-Y134 VanDerWaalsContact SD-CE1 3.58Å; M122-Y134 HydrophobicContact SD-CE2 4.41Å; M122-L137 HydrophobicContact SD-CD1 3.8Å |
| 123 | P | 91.1 | Very high | 92 | Very high | 60 Ų | 60 | 44.2 Ų | 44.2 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -64.8 | -33 | 178.2 | -21.9 | 35.2 | 0 | 0 | 0 | 113.3 | K120 K121 F125 G126 Y176 | K120-P123 WeakPolarHBondContact O-CD 3.28Å; K121-P123 VanDerWaalsContact C-CD 3.42Å; K121-P123 VanDerWaalsContact C-N 3.35Å; K121-P123 VanDerWaalsContact O-N 3.17Å; P123-F125 PolarHBondContact O-N 2.89Å; P123-G126 PolarHBondContact O-N 3.22Å; P123-Y176 WeakPolarHBondContact CG-OH 3.48Å |
| 124 | E | 90.9 | Very high | 92.3 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -66.9 | -23.5 | 178 | -60.2 | -176.5 | -156.8 | 0 | 0 | 112.6 | K89 K121 M122 | K89-E124 HydrophobicContact CD-CB 4.28Å; K89-E124 IonicContact NZ-OE2 2.78Å; K89-E124 PolarHBondContact NZ-OE2 2.99Å; K121-E124 VanDerWaalsContact CD-CD 3.46Å; K121-E124 HydrophobicContact CD-CG 4.44Å; K121-E124 WeakPolarHBondContact CD-OE1 3.33Å; K121-E124 WeakPolarHBondContact CE-OE1 3.4Å; K121-E124 IonicContact NZ-OE1 2.75Å; K121-E124 PolarHBondContact NZ-OE1 3.23Å; K121-E124 IonicContact NZ-OE2 3.27Å; K121-E124 PolarHBondContact NZ-OE2 2.87Å; K121-E124 WeakPolarHBondContact O-CB 3.49Å; K121-E124 PolarHBondContact O-N 3.33Å; M122-E124 VanDerWaalsContact C-N 3.32Å; M122-E124 PolarHBondContact O-N 3.29Å |
| 125 | F | 88.9 | Confident | 92.4 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -103 | 0.6 | 179.7 | -70 | -100.8 | 0 | 0 | 0 | 112.8 | F81 A85 K89 T93 F94 K121 M122 P123 V127 | F81-F125 HydrophobicContact CD1-CE2 4.17Å; F81-F125 HydrophobicContact CD1-CZ 4.21Å; A85-F125 HydrophobicContact CB-CE1 3.54Å; A85-F125 HydrophobicContact CB-CZ 3.5Å; A85-F125 VanDerWaalsContact CB-CZ 3.5Å; K89-F125 HydrophobicContact CB-CD1 3.85Å; K89-F125 HydrophobicContact CB-CE1 4.04Å; K89-F125 HydrophobicContact CB-CG 4.26Å; K89-F125 HydrophobicContact CG-CD1 4.38Å; K89-F125 HydrophobicContact CG-CE1 4.1Å; K89-F125 HydrophobicContact CG-CZ 4.26Å; T93-F125 WeakPolarHBondContact OG1-CE1 3.47Å; F94-F125 HydrophobicContact CB-CB 4.29Å; F94-F125 HydrophobicContact CB-CD1 3.97Å; F94-F125 HydrophobicContact CB-CG 4.2Å; F94-F125 HydrophobicContact CD2-CB 4Å; F94-F125 HydrophobicContact CD2-CD1 4.13Å; F94-F125 AromaticContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CD2 3.76Å; F94-F125 HydrophobicContact CD2-CE2 4.22Å; F94-F125 AromaticContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CD2-CG 3.7Å; F94-F125 HydrophobicContact CE2-CD2 4.3Å; F94-F125 HydrophobicContact CG-CB 4.46Å; F94-F125 HydrophobicContact CG-CG 4.41Å; K121-F125 HydrophobicContact CB-CD2 4.33Å; K121-F125 HydrophobicContact CB-CE2 4.1Å; K121-F125 VanDerWaalsContact O-CD2 3.32Å; K121-F125 WeakPolarHBondContact O-CD2 3.41Å; K121-F125 PolarHBondContact O-N 2.88Å; M122-F125 PolarHBondContact O-N 2.84Å; P123-F125 PolarHBondContact O-N 2.89Å; F125-V127 HydrophobicContact CB-CG1 4.43Å; F125-V127 HydrophobicContact CB-CG2 4.13Å; F125-V127 PolarHBondContact O-N 3.38Å |
| 126 | G | 88.6 | Confident | 92.4 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 25.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | M122 P123 E128 | M122-G126 PolarHBondContact O-N 3.09Å; P123-G126 PolarHBondContact O-N 3.22Å; G126-E128 VanDerWaalsContact CA-OE2 3.23Å; G126-E128 WeakPolarHBondContact CA-OE2 3.5Å |
| 127 | V | 92.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | trans | -102.9 | 4.5 | -178.3 | -65.5 | 0 | 0 | 0 | 0 | 113 | K91 F94 M122 F125 R129 D130 V133 | K91-V127 HydrophobicContact CB-CG1 3.74Å; K91-V127 HydrophobicContact CG-CG1 3.94Å; F94-V127 HydrophobicContact CB-CG1 4.44Å; F94-V127 HydrophobicContact CD1-CG2 3.99Å; F94-V127 HydrophobicContact CD2-CG2 4.13Å; F94-V127 HydrophobicContact CE1-CG2 4.14Å; F94-V127 HydrophobicContact CE2-CG2 4.27Å; F94-V127 HydrophobicContact CG-CG2 3.98Å; F94-V127 HydrophobicContact CZ-CG2 4.27Å; M122-V127 HydrophobicContact CB-CG2 3.9Å; M122-V127 HydrophobicContact CE-CB 4.48Å; M122-V127 HydrophobicContact CE-CG2 4.01Å; M122-V127 VanDerWaalsContact CE-O 3.23Å; M122-V127 WeakPolarHBondContact CE-O 3.25Å; M122-V127 HydrophobicContact CG-CG2 3.91Å; M122-V127 WeakPolarHBondContact O-CG2 3.43Å; M122-V127 PolarHBondContact O-N 3.17Å; F125-V127 HydrophobicContact CB-CG1 4.43Å; F125-V127 HydrophobicContact CB-CG2 4.13Å; F125-V127 PolarHBondContact O-N 3.38Å; V127-R129 PolarHBondContact O-N 2.85Å; V127-D130 PolarHBondContact O-N 3.26Å; V127-V133 HydrophobicContact CB-CG1 4.44Å; V127-V133 HydrophobicContact CB-CG2 4.21Å; V127-V133 HydrophobicContact CG1-CG2 4.36Å; V127-V133 HydrophobicContact CG2-CG1 4.31Å | ||
| 128 | E | 91.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.8 | -174.3 | 77.2 | -69 | 164.6 | 0 | 0 | 113.9 | M122 G126 Y134 Y176 I178 | M122-E128 HydrophobicContact CB-CB 4.4Å; G126-E128 VanDerWaalsContact CA-OE2 3.23Å; G126-E128 WeakPolarHBondContact CA-OE2 3.5Å; E128-Y134 WeakPolarHBondContact O-CE2 3.33Å; E128-Y134 PolarHBondContact O-OH 3.19Å; E128-Y176 HydrophobicContact CB-CD1 4.34Å; E128-Y176 HydrophobicContact CB-CD2 4.03Å; E128-Y176 HydrophobicContact CB-CE1 4.09Å; E128-Y176 HydrophobicContact CB-CE2 3.76Å; E128-Y176 HydrophobicContact CB-CG 4.33Å; E128-Y176 HydrophobicContact CG-CD1 3.83Å; E128-Y176 HydrophobicContact CG-CD2 4.41Å; E128-Y176 HydrophobicContact CG-CE1 3.64Å; E128-Y176 HydrophobicContact CG-CE2 4.25Å; E128-Y176 HydrophobicContact CG-CG 4.23Å; E128-I178 VanDerWaalsContact O-CD1 3.22Å; E128-I178 WeakPolarHBondContact O-CD1 3.25Å |
| 129 | R | 90.1 | Very high | 92.5 | Very high | 159 Ų | 159 | 41.5 Ų | 41.5 | 60% | 0.6 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 2.8 | 176.9 | -74 | -179.2 | 154.7 | 156.8 | -6.4 | 114.6 | V127 | V127-R129 PolarHBondContact O-N 2.85Š|
| 130 | D | 93.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | trans | -96.4 | 108.6 | -173.5 | -168.3 | -11.3 | 0 | 0 | 0 | 112.9 | K91 V127 T132 V133 Y134 | K91-D130 WeakPolarHBondContact CD-OD2 3.27Å; K91-D130 WeakPolarHBondContact CE-OD2 3.37Å; K91-D130 IonicContact NZ-OD2 2.61Å; K91-D130 PolarHBondContact NZ-OD2 3.07Å; V127-D130 PolarHBondContact O-N 3.26Å; D130-T132 PolarHBondContact O-N 2.96Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 PolarHBondContact OD1-N 3.05Å; D130-T132 PolarHBondContact OD1-OG1 3.41Å; D130-T132 PolarHBondContact OD2-OG1 2.9Å; D130-V133 HydrophobicContact CB-CB 4.34Å; D130-V133 HydrophobicContact CB-CG2 4Å; D130-V133 PolarHBondContact O-N 2.76Å; D130-Y134 VanDerWaalsContact O-CD2 3.29Å; D130-Y134 WeakPolarHBondContact O-CD2 3.36Å; D130-Y134 PolarHBondContact O-N 2.88Å | ||
| 131 | L | 93.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.7 | -34 | 177 | 179.6 | 65 | 0 | 0 | 0 | 113.1 | V133 Y134 N135 M173 I178 N181 | L131-V133 VanDerWaalsContact C-N 3.28Å; L131-V133 PolarHBondContact O-N 2.93Å; L131-Y134 PolarHBondContact O-N 3.24Å; L131-N135 PolarHBondContact O-N 3.44Å; L131-M173 HydrophobicContact CD1-CE 3.41Å; L131-M173 VanDerWaalsContact CD1-CE 3.41Å; L131-I178 HydrophobicContact CB-CG2 4.13Å; L131-I178 HydrophobicContact CD1-CG2 4.05Å; L131-N181 HydrophobicContact CD2-CB 3.81Å |
| 132 | T | 94.1 | Very high | 92.1 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.8 | -33.9 | -177.4 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | D130 K136 | D130-T132 PolarHBondContact O-N 2.96Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 PolarHBondContact OD1-N 3.05Å; D130-T132 PolarHBondContact OD1-OG1 3.41Å; D130-T132 PolarHBondContact OD2-OG1 2.9Å; T132-K136 WeakPolarHBondContact O-CG 3.38Å; T132-K136 PolarHBondContact O-N 3.3Å; T132-K136 VanDerWaalsContact O-N 3.07Å |
| 133 | V | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.2 | -42.2 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | F94 I98 M122 V127 D130 L131 N135 K136 L137 | F94-V133 HydrophobicContact CD1-CG1 3.6Å; F94-V133 HydrophobicContact CE1-CG1 3.33Å; F94-V133 HydrophobicContact CZ-CG1 4.44Å; I98-V133 HydrophobicContact CD1-CG1 4.37Å; M122-V133 HydrophobicContact CE-CB 4.29Å; M122-V133 HydrophobicContact CE-CG1 3.79Å; V127-V133 HydrophobicContact CB-CG1 4.44Å; V127-V133 HydrophobicContact CB-CG2 4.21Å; V127-V133 HydrophobicContact CG1-CG2 4.36Å; V127-V133 HydrophobicContact CG2-CG1 4.31Å; D130-V133 HydrophobicContact CB-CB 4.34Å; D130-V133 HydrophobicContact CB-CG2 4Å; D130-V133 PolarHBondContact O-N 2.76Å; L131-V133 VanDerWaalsContact C-N 3.28Å; L131-V133 PolarHBondContact O-N 2.93Å; V133-N135 PolarHBondContact O-N 3.13Å; V133-K136 WeakPolarHBondContact O-CB 3.4Å; V133-K136 PolarHBondContact O-N 2.85Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.78Å |
| 134 | Y | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 173.6 | -76.6 | -67.9 | 0 | 0 | 0 | 112.8 | L119 M122 E128 D130 L131 K136 L137 L138 V169 Q172 M173 I178 | L119-Y134 HydrophobicContact CD2-CD1 4.43Å; L119-Y134 HydrophobicContact CD2-CE1 3.88Å; M122-Y134 HydrophobicContact CE-CD1 4.19Å; M122-Y134 HydrophobicContact CE-CD2 4.03Å; M122-Y134 HydrophobicContact CE-CE1 3.75Å; M122-Y134 HydrophobicContact CE-CE2 3.54Å; M122-Y134 HydrophobicContact CE-CG 4.33Å; M122-Y134 HydrophobicContact SD-CD1 4.27Å; M122-Y134 HydrophobicContact SD-CE1 3.58Å; M122-Y134 VanDerWaalsContact SD-CE1 3.58Å; M122-Y134 HydrophobicContact SD-CE2 4.41Å; E128-Y134 WeakPolarHBondContact O-CE2 3.33Å; E128-Y134 PolarHBondContact O-OH 3.19Å; D130-Y134 VanDerWaalsContact O-CD2 3.29Å; D130-Y134 WeakPolarHBondContact O-CD2 3.36Å; D130-Y134 PolarHBondContact O-N 2.88Å; L131-Y134 PolarHBondContact O-N 3.24Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.38Å; Y134-L137 PolarHBondContact O-N 3.3Å; Y134-L138 WeakPolarHBondContact O-CG 3.39Å; Y134-L138 PolarHBondContact O-N 2.88Å; Y134-V169 HydrophobicContact CD1-CG1 3.86Å; Y134-Q172 HydrophobicContact CE1-CB 4.42Å; Y134-Q172 PolarHBondContact OH-OE1 3.28Å; Y134-M173 HydrophobicContact CD1-CG 3.64Å; Y134-M173 HydrophobicContact CD1-SD 4.21Å; Y134-M173 HydrophobicContact CD2-CG 3.77Å; Y134-M173 HydrophobicContact CE1-CG 3.88Å; Y134-M173 HydrophobicContact CE2-CG 4.02Å; Y134-M173 HydrophobicContact CG-CG 3.57Å; Y134-M173 HydrophobicContact CG-SD 3.95Å; Y134-I178 HydrophobicContact CD2-CD1 3.79Å; Y134-I178 HydrophobicContact CE2-CD1 3.32Å |
| 135 | N | 95 | Very high | 91.2 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.4 | -76.4 | -10.6 | 0 | 0 | 0 | 111.8 | L131 V133 L138 D139 N181 E183 T184 L187 | L131-N135 PolarHBondContact O-N 3.44Å; V133-N135 PolarHBondContact O-N 3.13Å; N135-L138 PolarHBondContact O-N 3.36Å; N135-D139 PolarHBondContact O-N 2.84Å; N135-N181 PolarHBondContact ND2-ND2 3.43Å; N135-N181 PolarHBondContact ND2-OD1 3.27Å; N135-N181 VanDerWaalsContact ND2-OD1 3.14Å; N135-E183 PolarHBondContact ND2-OE2 3.13Å; N135-T184 WeakPolarHBondContact OD1-CB 3.47Å; N135-T184 PolarHBondContact OD1-OG1 3.37Å; N135-L187 HydrophobicContact CB-CD1 4.11Å; N135-L187 WeakPolarHBondContact O-CD1 3.45Å |
| 136 | K | 93.4 | Very high | 91 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 35% | 0.348 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.7 | -77.2 | 178.4 | 174 | -165.1 | 0 | 113 | N95 I98 T132 V133 Y134 L138 D139 V140 | N95-K136 WeakPolarHBondContact OD1-CD 3.26Å; N95-K136 WeakPolarHBondContact OD1-CE 3.45Å; N95-K136 PolarHBondContact OD1-NZ 2.88Å; I98-K136 HydrophobicContact CD1-CB 4.33Å; T132-K136 WeakPolarHBondContact O-CG 3.38Å; T132-K136 PolarHBondContact O-N 3.3Å; T132-K136 VanDerWaalsContact O-N 3.07Å; V133-K136 WeakPolarHBondContact O-CB 3.4Å; V133-K136 PolarHBondContact O-N 2.85Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.38Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-L138 PolarHBondContact O-N 3.2Å; K136-D139 PolarHBondContact O-N 3.03Å; K136-D139 VanDerWaalsContact O-N 3.16Å; K136-V140 PolarHBondContact O-N 2.92Å |
| 137 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 175.3 | -72 | 175.5 | 0 | 0 | 0 | 111.6 | I98 F114 A118 L119 M122 V133 Y134 D139 V140 | I98-L137 HydrophobicContact CD1-CD2 3.74Å; I98-L137 HydrophobicContact CD1-CG 4.14Å; I98-L137 HydrophobicContact CG1-CD2 4.08Å; F114-L137 HydrophobicContact CE1-CD2 4.39Å; A118-L137 HydrophobicContact CB-CD1 4.39Å; A118-L137 HydrophobicContact CB-CD2 3.66Å; L119-L137 HydrophobicContact CD2-CD1 4.03Å; M122-L137 HydrophobicContact SD-CD1 3.8Å; V133-L137 WeakPolarHBondContact O-CG 3.49Å; V133-L137 PolarHBondContact O-N 2.78Å; Y134-L137 PolarHBondContact O-N 3.3Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 2.91Å; L137-V140 VanDerWaalsContact O-CB 3.3Å; L137-V140 WeakPolarHBondContact O-CB 3.25Å; L137-V140 PolarHBondContact O-N 3.47Å |
| 138 | L | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 173.3 | -70 | 173.2 | 0 | 0 | 0 | 111.9 | Y134 N135 K136 V140 F141 V169 T184 L187 L188 I191 | Y134-L138 WeakPolarHBondContact O-CG 3.39Å; Y134-L138 PolarHBondContact O-N 2.88Å; N135-L138 PolarHBondContact O-N 3.36Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-L138 PolarHBondContact O-N 3.2Å; L138-V140 PolarHBondContact O-N 3.5Å; L138-V140 VanDerWaalsContact O-N 3.15Å; L138-F141 HydrophobicContact CD2-CD2 4.39Å; L138-F141 HydrophobicContact CD2-CE2 4.16Å; L138-F141 WeakPolarHBondContact O-CD2 3.16Å; L138-F141 PolarHBondContact O-N 2.81Å; L138-F141 VanDerWaalsContact O-N 3.08Å; L138-V169 HydrophobicContact CD2-CB 4.19Å; L138-V169 HydrophobicContact CD2-CG1 3.91Å; L138-V169 HydrophobicContact CD2-CG2 4.34Å; L138-V169 HydrophobicContact CG-CG1 4.05Å; L138-T184 HydrophobicContact CD1-CG2 3.58Å; L138-L187 HydrophobicContact CB-CD1 4.29Å; L138-L188 HydrophobicContact CD1-CD2 4.23Å; L138-L188 HydrophobicContact CD1-CG 4.45Å; L138-L188 HydrophobicContact CD2-CD2 4.04Å; L138-I191 HydrophobicContact CB-CD1 4.45Å; L138-I191 WeakPolarHBondContact O-CD1 3.35Å |
| 139 | D | 92.5 | Very high | 90 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.4 | -12.3 | 177.4 | -161.4 | 52.9 | 0 | 0 | 0 | 113.5 | R108 N135 K136 L137 F141 K143 L187 | R108-D139 PolarHBondContact NH1-O 3.23Å; R108-D139 PolarHBondContact NH2-O 3.4Å; N135-D139 PolarHBondContact O-N 2.84Å; K136-D139 PolarHBondContact O-N 3.03Å; K136-D139 VanDerWaalsContact O-N 3.16Å; L137-D139 VanDerWaalsContact C-N 3.32Å; L137-D139 PolarHBondContact O-N 2.91Å; D139-F141 VanDerWaalsContact C-N 3.3Å; D139-K143 WeakPolarHBondContact OD1-CE 3.3Å; D139-K143 IonicContact OD1-NZ 2.71Å; D139-K143 PolarHBondContact OD1-NZ 3.37Å; D139-L187 HydrophobicContact CB-CD2 4.39Å |
| 140 | V | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -28.7 | 171.1 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | I98 F101 R108 H111 F114 I115 K136 L137 L138 | I98-V140 HydrophobicContact CG2-CG2 4Å; F101-V140 HydrophobicContact CD1-CG1 3.85Å; F101-V140 HydrophobicContact CE1-CG1 3.55Å; R108-V140 WeakPolarHBondContact CD-O 3.28Å; R108-V140 VanDerWaalsContact NH1-C 3.28Å; R108-V140 PolarHBondContact NH1-O 2.9Å; H111-V140 HydrophobicContact CB-CG1 3.89Å; F114-V140 HydrophobicContact CD1-CG1 4.3Å; F114-V140 HydrophobicContact CE1-CG2 4.33Å; I115-V140 HydrophobicContact CD1-CB 4.49Å; K136-V140 PolarHBondContact O-N 2.92Å; L137-V140 VanDerWaalsContact O-CB 3.3Å; L137-V140 WeakPolarHBondContact O-CB 3.25Å; L137-V140 PolarHBondContact O-N 3.47Å; L138-V140 PolarHBondContact O-N 3.5Å; L138-V140 VanDerWaalsContact O-N 3.15Å |
| 141 | F | 90.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.5 | 139.6 | 175.6 | -72.2 | -77.5 | 0 | 0 | 0 | 111.5 | R108 H111 V112 I115 L138 D139 K143 F146 Q162 C165 I191 F192 | R108-F141 PolarHBondContact NH1-O 3.45Å; H111-F141 AromaticContact CD2-CD1 3.4Å; H111-F141 WeakPolarHBondContact CD2-CD1 3.09Å; H111-F141 AromaticContact CD2-CE1 3.57Å; H111-F141 AromaticContact NE2-CD1 3.81Å; V112-F141 HydrophobicContact CG2-CE1 4.49Å; I115-F141 HydrophobicContact CD1-CD1 4.43Å; I115-F141 HydrophobicContact CD1-CD2 3.83Å; I115-F141 HydrophobicContact CD1-CE1 3.98Å; I115-F141 HydrophobicContact CD1-CE2 3.32Å; I115-F141 HydrophobicContact CD1-CG 4.36Å; I115-F141 HydrophobicContact CD1-CZ 3.4Å; I115-F141 VanDerWaalsContact CD1-CZ 3.4Å; L138-F141 HydrophobicContact CD2-CD2 4.39Å; L138-F141 HydrophobicContact CD2-CE2 4.16Å; L138-F141 WeakPolarHBondContact O-CD2 3.16Å; L138-F141 PolarHBondContact O-N 2.81Å; L138-F141 VanDerWaalsContact O-N 3.08Å; D139-F141 VanDerWaalsContact C-N 3.3Å; F141-K143 PolarHBondContact O-N 2.86Å; F141-F146 HydrophobicContact CB-CE2 4.32Å; F141-F146 AromaticContact CD1-CE2 3.96Å; F141-F146 HydrophobicContact CD1-CE2 3.96Å; F141-Q162 HydrophobicContact CE1-CB 4.33Å; F141-C165 HydrophobicContact CE1-CB 4.47Å; F141-C165 HydrophobicContact CZ-CB 3.99Å; F141-I191 HydrophobicContact CB-CB 4.42Å; F141-I191 HydrophobicContact CB-CD1 3.94Å; F141-I191 HydrophobicContact CB-CG1 4.04Å; F141-I191 HydrophobicContact CB-CG2 3.46Å; F141-I191 VanDerWaalsContact CB-CG2 3.46Å; F141-I191 HydrophobicContact CD2-CD1 4.41Å; F141-I191 HydrophobicContact CD2-CG2 4.47Å; F141-I191 HydrophobicContact CG-CG2 3.96Å; F141-F192 HydrophobicContact CD1-CZ 4.18Å; F141-F192 HydrophobicContact CD2-CE2 4.5Å; F141-F192 HydrophobicContact CD2-CZ 4.24Å; F141-F192 HydrophobicContact CE1-CZ 4.06Å; F141-F192 HydrophobicContact CE2-CZ 4.12Å; F141-F192 HydrophobicContact CG-CZ 4.27Å; F141-F192 HydrophobicContact CZ-CZ 4.03Å |
| 142 | P | 87.9 | Confident | 88.4 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 20% | 0.195 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 129.8 | 172.3 | 27.5 | -35.3 | 0 | 0 | 0 | 110.6 | V145 F146 | P142-V145 HydrophobicContact CB-CB 4.37Å; P142-V145 HydrophobicContact CB-CG2 3.88Å; P142-V145 HydrophobicContact CG-CB 4.35Å; P142-V145 HydrophobicContact CG-CG2 4.34Å; P142-F146 HydrophobicContact CG-CE1 4.37Å; P142-F146 HydrophobicContact CG-CE2 3.55Å; P142-F146 HydrophobicContact CG-CZ 3.4Å; P142-F146 VanDerWaalsContact CG-CZ 3.4Å |
| 143 | K | 86.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 145.1 | -178 | -60.6 | 178.9 | -176.3 | 179.9 | 0 | 110.8 | D139 F141 V145 | D139-K143 WeakPolarHBondContact OD1-CE 3.3Å; D139-K143 IonicContact OD1-NZ 2.71Å; D139-K143 PolarHBondContact OD1-NZ 3.37Å; F141-K143 PolarHBondContact O-N 2.86Å; K143-V145 PolarHBondContact O-N 3.17Å |
| 144 | E | 83.1 | Confident | 86.9 | Confident | 143 Ų | 143 | 61.3 Ų | 61.3 | 67% | 0.668 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -3.3 | 175.3 | -54.7 | -177.3 | 172.6 | 0 | 0 | 116.5 | Q190 | E144-Q190 WeakPolarHBondContact CA-O 3.28Å; E144-Q190 PolarHBondContact N-O 3.21Å |
| 145 | V | 83.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -75.5 | -36.6 | -178.9 | 178.4 | 0 | 0 | 0 | 0 | 112 | P142 K143 | P142-V145 HydrophobicContact CB-CB 4.37Å; P142-V145 HydrophobicContact CB-CG2 3.88Å; P142-V145 HydrophobicContact CG-CB 4.35Å; P142-V145 HydrophobicContact CG-CG2 4.34Å; K143-V145 PolarHBondContact O-N 3.17Å |
| 146 | F | 83.9 | Confident | 85.2 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -97.3 | 9.4 | -172.8 | -46.1 | -57.8 | 0 | 0 | 0 | 113.9 | H111 F141 P142 A148 H158 Y159 Q162 I191 F192 | H111-F146 AromaticContact NE2-CZ 3.74Å; F141-F146 HydrophobicContact CB-CE2 4.32Å; F141-F146 AromaticContact CD1-CE2 3.96Å; F141-F146 HydrophobicContact CD1-CE2 3.96Å; P142-F146 HydrophobicContact CG-CE1 4.37Å; P142-F146 HydrophobicContact CG-CE2 3.55Å; P142-F146 HydrophobicContact CG-CZ 3.4Å; P142-F146 VanDerWaalsContact CG-CZ 3.4Å; F146-A148 PolarHBondContact O-N 2.95Å; F146-H158 PolarHBondContact O-CD2 2.73Å; F146-Y159 HydrophobicContact CB-CD2 4.13Å; F146-Y159 AromaticContact CD1-CD1 3.95Å; F146-Y159 HydrophobicContact CD1-CD1 3.95Å; F146-Y159 AromaticContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CE1 4.32Å; F146-Y159 HydrophobicContact CD1-CE2 4.08Å; F146-Y159 AromaticContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CE1-CD1 4.22Å; F146-Y159 HydrophobicContact CE1-CE1 4.49Å; F146-Y159 HydrophobicContact CE1-CG 4.34Å; F146-Y159 HydrophobicContact CG-CD2 4.4Å; F146-Y159 HydrophobicContact CG-CG 4.47Å; F146-Q162 HydrophobicContact CD1-CG 4.45Å; F146-Q162 HydrophobicContact CE1-CG 3.91Å; F146-Q162 HydrophobicContact CE2-CB 4.45Å; F146-Q162 HydrophobicContact CE2-CG 4.3Å; F146-Q162 HydrophobicContact CZ-CB 4.41Å; F146-Q162 HydrophobicContact CZ-CG 3.82Å; F146-I191 WeakPolarHBondContact CB-O 3.37Å; F146-I191 HydrophobicContact CD2-CG2 3.78Å; F146-I191 HydrophobicContact CE2-CG2 4.29Å; F146-I191 PolarHBondContact N-O 2.98Å; F146-F192 HydrophobicContact CB-CD1 4.05Å; F146-F192 HydrophobicContact CD2-CD1 4.27Å; F146-F192 HydrophobicContact CD2-CE1 4.08Å |
| 147 | V | 85.9 | Confident | 84.4 | Confident | 48 Ų | 48 | 73 Ų | 73 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | trans | -76 | 116.1 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | R149 | V147-R149 PolarHBondContact O-N 3.46Š| ||
| 148 | A | 83.8 | Confident | 83.8 | Confident | 25 Ų | 25 | 74.8 Ų | 74.8 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | trans | -64.3 | 117.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | F146 Q153 R154 H158 | F146-A148 PolarHBondContact O-N 2.95Å; A148-Q153 HydrophobicContact CB-CB 4.07Å; A148-R154 HydrophobicContact CB-CB 4.47Å; A148-H158 HydrophobicContact CB-CB 4.11Å | ||
| 149 | R | 82.3 | Confident | 83.5 | Confident | 212 Ų | 212 | 79.3 Ų | 79.3 | 80% | 0.8 | 38% | 0.375 | S | S | * | . | trans | -85.8 | -34.5 | -178.9 | -60.7 | -176.8 | -177.7 | -174.6 | -1.4 | 112.1 | V147 | V147-R149 PolarHBondContact O-N 3.46Š| ||
| 150 | N | 85.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 80.4 Ų | 80.4 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -109 | 155.7 | -173.7 | -65.4 | -23.8 | 0 | 0 | 0 | 113.1 | I152 Q153 R154 | N150-I152 VanDerWaalsContact C-N 3.3Å; N150-I152 PolarHBondContact O-N 2.97Å; N150-Q153 HydrophobicContact CB-CB 4.49Å; N150-Q153 HydrophobicContact CB-CG 4.26Å; N150-Q153 PolarHBondContact O-N 2.96Å; N150-R154 PolarHBondContact O-N 2.87Å; N150-R154 VanDerWaalsContact O-N 3.09Å |
| 151 | F | 79.2 | Confident | 83.3 | Confident | 142 Ų | 142 | 89.4 Ų | 89.4 | 62% | 0.623 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.2 | -41.5 | 175 | -179.9 | -96.5 | 0 | 0 | 0 | 112.3 | R154 M155 | F151-R154 WeakPolarHBondContact O-CB 3.43Å; F151-R154 PolarHBondContact O-N 3.37Å; F151-M155 HydrophobicContact CE1-SD 4.17Å; F151-M155 PolarHBondContact O-N 3.44Å |
| 152 | I | 79.4 | Confident | 83.3 | Confident | 111 Ų | 111 | 91.3 Ų | 91.3 | 57% | 0.569 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 178.9 | -60.4 | 174.2 | 0 | 0 | 0 | 111 | N150 R154 M155 F156 | N150-I152 VanDerWaalsContact C-N 3.3Å; N150-I152 PolarHBondContact O-N 2.97Å; I152-R154 VanDerWaalsContact C-N 3.27Å; I152-R154 PolarHBondContact O-N 2.9Å; I152-M155 WeakPolarHBondContact O-CB 3.29Å; I152-M155 PolarHBondContact O-N 3.14Å; I152-F156 HydrophobicContact CG2-CD2 3.7Å; I152-F156 HydrophobicContact CG2-CE2 4Å; I152-F156 WeakPolarHBondContact O-CD2 3.39Å; I152-F156 PolarHBondContact O-N 3.31Å |
| 153 | Q | 81.3 | Confident | 83.5 | Confident | 61 Ų | 61 | 90.5 Ų | 90.5 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.5 | -71 | 174.3 | -20 | 0 | 0 | 112 | A148 N150 M155 H158 | A148-Q153 HydrophobicContact CB-CB 4.07Å; N150-Q153 HydrophobicContact CB-CB 4.49Å; N150-Q153 HydrophobicContact CB-CG 4.26Å; N150-Q153 PolarHBondContact O-N 2.96Å; Q153-M155 VanDerWaalsContact C-N 3.32Å; Q153-H158 HydrophobicContact CB-CB 4.27Å; Q153-H158 PolarHBondContact O-N 3.27Å |
| 154 | R | 77.6 | Confident | 83.8 | Confident | 95 Ų | 95 | 91.3 Ų | 91.3 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 173.9 | -172.6 | -175 | -61.2 | 149.8 | 4.1 | 112 | A148 N150 F151 I152 K195 | A148-R154 HydrophobicContact CB-CB 4.47Å; N150-R154 PolarHBondContact O-N 2.87Å; N150-R154 VanDerWaalsContact O-N 3.09Å; F151-R154 WeakPolarHBondContact O-CB 3.43Å; F151-R154 PolarHBondContact O-N 3.37Å; I152-R154 VanDerWaalsContact C-N 3.27Å; I152-R154 PolarHBondContact O-N 2.9Å; R154-K195 HydrophobicContact CG-CB 4.38Å |
| 155 | M | 77.4 | Confident | 84.3 | Confident | 108 Ų | 108 | 84.5 Ų | 84.5 | 53% | 0.532 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.8 | -36.3 | -179.8 | -167.3 | 169 | 70.5 | 0 | 0 | 112.4 | F151 I152 Q153 | F151-M155 HydrophobicContact CE1-SD 4.17Å; F151-M155 PolarHBondContact O-N 3.44Å; I152-M155 WeakPolarHBondContact O-CB 3.29Å; I152-M155 PolarHBondContact O-N 3.14Å; Q153-M155 VanDerWaalsContact C-N 3.32Å |
| 156 | F | 75.8 | Confident | 84.8 | Confident | 150 Ų | 150 | 80.9 Ų | 80.9 | 66% | 0.658 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 35.1 | -175.3 | -71.4 | -74.6 | 0 | 0 | 0 | 114.7 | I152 | I152-F156 HydrophobicContact CG2-CD2 3.7Å; I152-F156 HydrophobicContact CG2-CE2 4Å; I152-F156 WeakPolarHBondContact O-CD2 3.39Å; I152-F156 PolarHBondContact O-N 3.31Å |
| 157 | N | 76.7 | Confident | 85.4 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 68 | 173.9 | -66.1 | -10.8 | 0 | 0 | 0 | 114.2 | Y159 P160 H197 | N157-Y159 PolarHBondContact O-N 2.93Å; N157-P160 HydrophobicContact CB-CB 4.47Å; N157-P160 WeakPolarHBondContact O-CD 3.44Å; N157-H197 PolarHBondContact OD1-NE2 3.48Å |
| 158 | H | 82.3 | Confident | 85.9 | Confident | 39 Ų | 39 | 83.1 Ų | 83.1 | 18% | 0.181 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -54.3 | 119.9 | 178 | -165.1 | 49.9 | 0 | 0 | 0 | 113 | F146 A148 Q153 Q163 | F146-H158 PolarHBondContact O-CD2 2.73Å; A148-H158 HydrophobicContact CB-CB 4.11Å; Q153-H158 HydrophobicContact CB-CB 4.27Å; Q153-H158 PolarHBondContact O-N 3.27Å; H158-Q163 PolarHBondContact O-NE2 2.94Å |
| 159 | Y | 85.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 82 Ų | 82 | 37% | 0.373 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 57.4 | 66.7 | -174.9 | -65.2 | -78.9 | 0 | 0 | 0 | 113.7 | F146 N157 R161 Q162 Q163 | F146-Y159 HydrophobicContact CB-CD2 4.13Å; F146-Y159 AromaticContact CD1-CD1 3.95Å; F146-Y159 HydrophobicContact CD1-CD1 3.95Å; F146-Y159 AromaticContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CD2 3.71Å; F146-Y159 HydrophobicContact CD1-CE1 4.32Å; F146-Y159 HydrophobicContact CD1-CE2 4.08Å; F146-Y159 AromaticContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CD1-CG 3.63Å; F146-Y159 HydrophobicContact CE1-CD1 4.22Å; F146-Y159 HydrophobicContact CE1-CE1 4.49Å; F146-Y159 HydrophobicContact CE1-CG 4.34Å; F146-Y159 HydrophobicContact CG-CD2 4.4Å; F146-Y159 HydrophobicContact CG-CG 4.47Å; N157-Y159 PolarHBondContact O-N 2.93Å; Y159-R161 PolarHBondContact O-N 3.33Å; Y159-Q162 PolarHBondContact O-N 2.87Å; Y159-Q163 WeakPolarHBondContact O-CG 3.39Å; Y159-Q163 PolarHBondContact O-N 3.01Å; Y159-Q163 VanDerWaalsContact O-N 3.1Å |
| 160 | P | 89.1 | Confident | 87.1 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | -170.4 | 25.2 | -32.6 | 0 | 0 | 0 | 112.8 | N157 Q162 Q163 E164 | N157-P160 HydrophobicContact CB-CB 4.47Å; N157-P160 WeakPolarHBondContact O-CD 3.44Å; P160-Q162 PolarHBondContact O-N 2.78Å; P160-Q163 PolarHBondContact O-N 2.97Å; P160-E164 WeakPolarHBondContact O-CB 3.38Å; P160-E164 PolarHBondContact O-N 2.95Å |
| 161 | R | 90.6 | Very high | 87.6 | Confident | 189 Ų | 189 | 71.7 Ų | 71.7 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | -179.6 | -67.7 | -174 | 178.4 | -174.2 | -1 | 112.8 | Y159 C165 | Y159-R161 PolarHBondContact O-N 3.33Å; R161-C165 WeakPolarHBondContact O-CB 3.34Å; R161-C165 PolarHBondContact O-N 3.45Å |
| 162 | Q | 91.3 | Very high | 88.3 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.2 | -40.4 | 179.7 | -67.6 | 76.2 | 7.7 | 0 | 0 | 111.2 | V112 F141 F146 Y159 P160 E164 C165 G166 F192 | V112-Q162 HydrophobicContact CG2-CG 3.9Å; F141-Q162 HydrophobicContact CE1-CB 4.33Å; F146-Q162 HydrophobicContact CD1-CG 4.45Å; F146-Q162 HydrophobicContact CE1-CG 3.91Å; F146-Q162 HydrophobicContact CE2-CB 4.45Å; F146-Q162 HydrophobicContact CE2-CG 4.3Å; F146-Q162 HydrophobicContact CZ-CB 4.41Å; F146-Q162 HydrophobicContact CZ-CG 3.82Å; Y159-Q162 PolarHBondContact O-N 2.87Å; P160-Q162 PolarHBondContact O-N 2.78Å; Q162-E164 VanDerWaalsContact C-N 3.33Å; Q162-C165 PolarHBondContact O-N 3.23Å; Q162-G166 PolarHBondContact O-N 3.47Å; Q162-F192 HydrophobicContact CB-CE1 4.04Å; Q162-F192 WeakPolarHBondContact O-CE1 3.34Å; Q162-F192 WeakPolarHBondContact O-CZ 3.27Å |
| 163 | Q | 92.1 | Very high | 89 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 174.5 | -71.8 | -163.7 | 36.9 | 0 | 0 | 111.7 | H158 Y159 P160 G166 V167 F192 H197 P198 | H158-Q163 PolarHBondContact O-NE2 2.94Å; Y159-Q163 WeakPolarHBondContact O-CG 3.39Å; Y159-Q163 PolarHBondContact O-N 3.01Å; Y159-Q163 VanDerWaalsContact O-N 3.1Å; P160-Q163 PolarHBondContact O-N 2.97Å; Q163-G166 PolarHBondContact O-N 3.24Å; Q163-V167 WeakPolarHBondContact O-CG2 3.36Å; Q163-V167 PolarHBondContact O-N 2.64Å; Q163-F192 HydrophobicContact CG-CD1 3.87Å; Q163-F192 HydrophobicContact CG-CE1 4.25Å; Q163-H197 PolarHBondContact OE1-CD2 3.37Å; Q163-H197 VanDerWaalsContact OE1-N 3.12Å; Q163-P198 HydrophobicContact CB-CG 4.36Å; Q163-P198 WeakPolarHBondContact O-CG 3.2Å |
| 164 | E | 93.4 | Very high | 89.6 | Confident | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.5 | -175.4 | 175 | -169.1 | 0 | 0 | 111.4 | P160 Q162 G166 V167 Q168 | P160-E164 WeakPolarHBondContact O-CB 3.38Å; P160-E164 PolarHBondContact O-N 2.95Å; Q162-E164 VanDerWaalsContact C-N 3.33Å; E164-G166 VanDerWaalsContact C-N 3.33Å; E164-G166 PolarHBondContact O-N 2.93Å; E164-V167 CarbonylContact O-C 3.54Å; E164-V167 WeakPolarHBondContact O-CA 3.41Å; E164-V167 WeakPolarHBondContact O-CB 3.46Å; E164-V167 PolarHBondContact O-N 3.05Å; E164-Q168 WeakPolarHBondContact O-CG 3.26Å; E164-Q168 PolarHBondContact O-N 3.12Å |
| 165 | C | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 174.6 | -174 | 0 | 0 | 0 | 0 | 112.1 | V112 Y116 F141 R161 Q162 V167 Q168 V169 | V112-C165 HydrophobicContact CG1-CB 3.98Å; V112-C165 HydrophobicContact CG2-CB 4.5Å; Y116-C165 HydrophobicContact CE1-CB 3.94Å; Y116-C165 HydrophobicContact CE2-CB 4.49Å; Y116-C165 WeakPolarHBondContact OH-CA 3.29Å; Y116-C165 WeakPolarHBondContact OH-CB 3.33Å; Y116-C165 PolarHBondContact OH-N 3.2Å; F141-C165 HydrophobicContact CE1-CB 4.47Å; F141-C165 HydrophobicContact CZ-CB 3.99Å; R161-C165 WeakPolarHBondContact O-CB 3.34Å; R161-C165 PolarHBondContact O-N 3.45Å; Q162-C165 PolarHBondContact O-N 3.23Å; C165-V167 VanDerWaalsContact C-N 3.31Å; C165-V167 PolarHBondContact O-N 2.87Å; C165-Q168 PolarHBondContact O-N 3.13Å; C165-V169 WeakPolarHBondContact O-CG2 3.3Å; C165-V169 PolarHBondContact O-N 2.85Å |
| 166 | G | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q162 Q163 E164 L170 | Q162-G166 PolarHBondContact O-N 3.47Å; Q163-G166 PolarHBondContact O-N 3.24Å; E164-G166 VanDerWaalsContact C-N 3.33Å; E164-G166 PolarHBondContact O-N 2.93Å; G166-L170 PolarHBondContact O-N 2.81Å |
| 167 | V | 95.5 | Very high | 91.5 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -42 | 172.5 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | Q163 E164 C165 V169 L170 E171 H197 P198 K201 | Q163-V167 WeakPolarHBondContact O-CG2 3.36Å; Q163-V167 PolarHBondContact O-N 2.64Å; E164-V167 CarbonylContact O-C 3.54Å; E164-V167 WeakPolarHBondContact O-CA 3.41Å; E164-V167 WeakPolarHBondContact O-CB 3.46Å; E164-V167 PolarHBondContact O-N 3.05Å; C165-V167 VanDerWaalsContact C-N 3.31Å; C165-V167 PolarHBondContact O-N 2.87Å; V167-V169 VanDerWaalsContact C-N 3.33Å; V167-V169 PolarHBondContact O-N 3.2Å; V167-L170 CarbonylContact O-C 3.55Å; V167-L170 PolarHBondContact O-N 3.05Å; V167-L170 VanDerWaalsContact O-N 3.13Å; V167-E171 WeakPolarHBondContact O-CB 3.18Å; V167-E171 PolarHBondContact O-N 2.91Å; V167-H197 HydrophobicContact CG2-CB 4.18Å; V167-P198 HydrophobicContact CG2-CG 4.14Å; V167-K201 HydrophobicContact CG1-CG 4.39Å |
| 168 | Q | 95.7 | Very high | 92.1 | Very high | 69 Ų | 69 | 52 Ų | 52 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 177.8 | -71.4 | -170 | 20.4 | 0 | 0 | 112.4 | Y116 E164 C165 L170 E171 Q172 | Y116-Q168 HydrophobicContact CE1-CB 4.17Å; Y116-Q168 HydrophobicContact CE1-CG 4.26Å; Y116-Q168 PolarHBondContact OH-NE2 2.62Å; E164-Q168 WeakPolarHBondContact O-CG 3.26Å; E164-Q168 PolarHBondContact O-N 3.12Å; C165-Q168 PolarHBondContact O-N 3.13Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.89Å; Q168-E171 PolarHBondContact O-N 2.98Å; Q168-Q172 PolarHBondContact O-N 2.89Å |
| 169 | V | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 171.5 | 176 | 0 | 0 | 0 | 0 | 110.5 | I115 L119 Y134 L138 C165 V167 E171 Q172 M173 | I115-V169 HydrophobicContact CG2-CG2 3.61Å; L119-V169 HydrophobicContact CD1-CG2 3.99Å; L119-V169 HydrophobicContact CD2-CG2 4.17Å; Y134-V169 HydrophobicContact CD1-CG1 3.86Å; L138-V169 HydrophobicContact CD2-CB 4.19Å; L138-V169 HydrophobicContact CD2-CG1 3.91Å; L138-V169 HydrophobicContact CD2-CG2 4.34Å; L138-V169 HydrophobicContact CG-CG1 4.05Å; C165-V169 WeakPolarHBondContact O-CG2 3.3Å; C165-V169 PolarHBondContact O-N 2.85Å; V167-V169 VanDerWaalsContact C-N 3.33Å; V167-V169 PolarHBondContact O-N 3.2Å; V169-E171 VanDerWaalsContact C-N 3.34Å; V169-E171 PolarHBondContact O-N 3.38Å; V169-Q172 PolarHBondContact O-N 3.44Å; V169-M173 WeakPolarHBondContact O-CG 3.37Å; V169-M173 PolarHBondContact O-N 2.9Å; V169-M173 VanDerWaalsContact O-N 3.09Å |
| 170 | L | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.9 | -31.7 | 179.1 | -68.7 | 171.4 | 0 | 0 | 0 | 113.1 | G166 V167 Q168 M173 E174 P180 T184 L188 P198 K201 I205 | G166-L170 PolarHBondContact O-N 2.81Å; V167-L170 CarbonylContact O-C 3.55Å; V167-L170 PolarHBondContact O-N 3.05Å; V167-L170 VanDerWaalsContact O-N 3.13Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 2.89Å; L170-M173 HydrophobicContact CD2-SD 4.02Å; L170-E174 PolarHBondContact O-N 3.06Å; L170-P180 HydrophobicContact CD2-CG 4.3Å; L170-T184 HydrophobicContact CD2-CG2 4.22Å; L170-L188 HydrophobicContact CD1-CD1 3.84Å; L170-L188 HydrophobicContact CD1-CD2 4.46Å; L170-L188 HydrophobicContact CD2-CD1 4.16Å; L170-L188 HydrophobicContact CG-CD1 4.47Å; L170-P198 HydrophobicContact CD1-CB 4.21Å; L170-P198 WeakPolarHBondContact CD1-O 3.17Å; L170-K201 HydrophobicContact CB-CG 3.77Å; L170-K201 HydrophobicContact CD1-CB 3.99Å; L170-K201 HydrophobicContact CD1-CG 3.99Å; L170-I205 HydrophobicContact CB-CD1 4.19Å |
| 171 | E | 95.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 174.8 | -176.5 | 166.6 | -152.8 | 0 | 0 | 111.4 | V167 Q168 V169 M173 E174 S175 | V167-E171 WeakPolarHBondContact O-CB 3.18Å; V167-E171 PolarHBondContact O-N 2.91Å; Q168-E171 PolarHBondContact O-N 2.98Å; V169-E171 VanDerWaalsContact C-N 3.34Å; V169-E171 PolarHBondContact O-N 3.38Å; E171-M173 VanDerWaalsContact C-N 3.35Å; E171-M173 PolarHBondContact O-N 3.34Å; E171-E174 WeakPolarHBondContact O-CA 3.37Å; E171-E174 WeakPolarHBondContact O-CB 3.35Å; E171-E174 PolarHBondContact O-N 2.8Å; E171-E174 VanDerWaalsContact O-N 3.14Å; E171-S175 PolarHBondContact O-N 3.36Å; E171-S175 PolarHBondContact O-OG 3.31Å |
| 172 | Q | 94.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 173.8 | -161.9 | -175.9 | 43 | 0 | 0 | 111.5 | L119 Y134 Q168 V169 E174 S175 Y176 | L119-Q172 PolarHBondContact O-NE2 2.89Å; Y134-Q172 HydrophobicContact CE1-CB 4.42Å; Y134-Q172 PolarHBondContact OH-OE1 3.28Å; Q168-Q172 PolarHBondContact O-N 2.89Å; V169-Q172 PolarHBondContact O-N 3.44Å; Q172-E174 VanDerWaalsContact C-N 3.27Å; Q172-E174 PolarHBondContact O-N 2.99Å; Q172-S175 PolarHBondContact O-N 2.81Å; Q172-Y176 HydrophobicContact CG-CD2 3.77Å; Q172-Y176 HydrophobicContact CG-CE2 3.5Å; Q172-Y176 VanDerWaalsContact O-CD2 3.24Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.43Å; Q172-Y176 PolarHBondContact O-N 3.18Å |
| 173 | M | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 171.5 | -68.4 | 175.3 | 70.5 | 0 | 0 | 111.7 | L131 Y134 V169 L170 E171 Y176 G177 I178 P180 | L131-M173 HydrophobicContact CD1-CE 3.41Å; L131-M173 VanDerWaalsContact CD1-CE 3.41Å; Y134-M173 HydrophobicContact CD1-CG 3.64Å; Y134-M173 HydrophobicContact CD1-SD 4.21Å; Y134-M173 HydrophobicContact CD2-CG 3.77Å; Y134-M173 HydrophobicContact CE1-CG 3.88Å; Y134-M173 HydrophobicContact CE2-CG 4.02Å; Y134-M173 HydrophobicContact CG-CG 3.57Å; Y134-M173 HydrophobicContact CG-SD 3.95Å; V169-M173 WeakPolarHBondContact O-CG 3.37Å; V169-M173 PolarHBondContact O-N 2.9Å; V169-M173 VanDerWaalsContact O-N 3.09Å; L170-M173 HydrophobicContact CD2-SD 4.02Å; E171-M173 VanDerWaalsContact C-N 3.35Å; E171-M173 PolarHBondContact O-N 3.34Å; M173-Y176 PolarHBondContact O-N 3.19Å; M173-G177 PolarHBondContact O-N 3.12Å; M173-G177 VanDerWaalsContact O-N 3.1Å; M173-I178 HydrophobicContact CB-CB 4.28Å; M173-I178 HydrophobicContact CE-CG2 4.01Å; M173-I178 PolarHBondContact O-N 3.19Å; M173-P180 HydrophobicContact CE-CB 3.66Å; M173-P180 HydrophobicContact CE-CG 3.94Å |
| 174 | E | 93 | Very high | 93.7 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 175 | 153.7 | 163 | -144.9 | 0 | 0 | 112.3 | L170 E171 Q172 Y176 G177 K201 I205 F209 | L170-E174 PolarHBondContact O-N 3.06Å; E171-E174 WeakPolarHBondContact O-CA 3.37Å; E171-E174 WeakPolarHBondContact O-CB 3.35Å; E171-E174 PolarHBondContact O-N 2.8Å; E171-E174 VanDerWaalsContact O-N 3.14Å; Q172-E174 VanDerWaalsContact C-N 3.27Å; Q172-E174 PolarHBondContact O-N 2.99Å; E174-Y176 VanDerWaalsContact C-N 3.27Å; E174-Y176 PolarHBondContact O-N 3.07Å; E174-G177 PolarHBondContact O-N 3.22Å; E174-K201 WeakPolarHBondContact OE2-CE 3.41Å; E174-K201 IonicContact OE2-NZ 3.14Å; E174-K201 PolarHBondContact OE2-NZ 3.4Å; E174-I205 HydrophobicContact CB-CD1 4.24Å; E174-F209 HydrophobicContact CB-CE1 4.48Å; E174-F209 HydrophobicContact CB-CZ 3.69Å; E174-F209 HydrophobicContact CG-CE1 4.15Å; E174-F209 HydrophobicContact CG-CZ 3.67Å |
| 175 | S | 91.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 65% | 0.65 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.6 | -35.1 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | E171 Q172 | E171-S175 PolarHBondContact O-N 3.36Å; E171-S175 PolarHBondContact O-OG 3.31Å; Q172-S175 PolarHBondContact O-N 2.81Å |
| 176 | Y | 90.2 | Very high | 93.9 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -2.1 | 175.1 | -68.1 | -63.5 | 0 | 0 | 0 | 114.2 | P123 E128 Q172 M173 E174 | P123-Y176 WeakPolarHBondContact CG-OH 3.48Å; E128-Y176 HydrophobicContact CB-CD1 4.34Å; E128-Y176 HydrophobicContact CB-CD2 4.03Å; E128-Y176 HydrophobicContact CB-CE1 4.09Å; E128-Y176 HydrophobicContact CB-CE2 3.76Å; E128-Y176 HydrophobicContact CB-CG 4.33Å; E128-Y176 HydrophobicContact CG-CD1 3.83Å; E128-Y176 HydrophobicContact CG-CD2 4.41Å; E128-Y176 HydrophobicContact CG-CE1 3.64Å; E128-Y176 HydrophobicContact CG-CE2 4.25Å; E128-Y176 HydrophobicContact CG-CG 4.23Å; Q172-Y176 HydrophobicContact CG-CD2 3.77Å; Q172-Y176 HydrophobicContact CG-CE2 3.5Å; Q172-Y176 VanDerWaalsContact O-CD2 3.24Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.43Å; Q172-Y176 PolarHBondContact O-N 3.18Å; M173-Y176 PolarHBondContact O-N 3.19Å; E174-Y176 VanDerWaalsContact C-N 3.27Å; E174-Y176 PolarHBondContact O-N 3.07Å |
| 177 | G | 87.6 | Confident | 93.9 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 24.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M173 E174 | M173-G177 PolarHBondContact O-N 3.12Å; M173-G177 VanDerWaalsContact O-N 3.1Å; E174-G177 PolarHBondContact O-N 3.22Å |
| 178 | I | 91.2 | Very high | 93.9 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 125.9 | -179.8 | -54.8 | 166.7 | 0 | 0 | 0 | 109.4 | E128 L131 Y134 M173 P180 | E128-I178 VanDerWaalsContact O-CD1 3.22Å; E128-I178 WeakPolarHBondContact O-CD1 3.25Å; L131-I178 HydrophobicContact CB-CG2 4.13Å; L131-I178 HydrophobicContact CD1-CG2 4.05Å; Y134-I178 HydrophobicContact CD2-CD1 3.79Å; Y134-I178 HydrophobicContact CE2-CD1 3.32Å; M173-I178 HydrophobicContact CB-CB 4.28Å; M173-I178 HydrophobicContact CE-CG2 4.01Å; M173-I178 PolarHBondContact O-N 3.19Å; I178-P180 WeakPolarHBondContact O-CD 3.27Å |
| 179 | M | 91.9 | Very high | 93.8 | Very high | 112 Ų | 112 | 51 Ų | 51 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 123.5 | 174.7 | -166.3 | 172.2 | 71.3 | 0 | 0 | 110.1 | M206 | M179-M206 HydrophobicContact CG-SD 4Å; M179-M206 HydrophobicContact SD-SD 4.43Å |
| 180 | P | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 146.7 | 176.3 | -0.6 | 12.1 | 0 | 0 | 0 | 111.5 | L170 M173 I178 T184 Y202 I205 | L170-P180 HydrophobicContact CD2-CG 4.3Å; M173-P180 HydrophobicContact CE-CB 3.66Å; M173-P180 HydrophobicContact CE-CG 3.94Å; I178-P180 WeakPolarHBondContact O-CD 3.27Å; P180-T184 HydrophobicContact CB-CG2 3.85Å; P180-Y202 HydrophobicContact CB-CD2 3.74Å; P180-Y202 HydrophobicContact CB-CE2 3.75Å; P180-Y202 HydrophobicContact CG-CD2 3.95Å; P180-Y202 HydrophobicContact CG-CE2 4.26Å; P180-I205 HydrophobicContact CG-CG2 4.1Å |
| 181 | N | 94.1 | Very high | 93.5 | Very high | 44 Ų | 44 | 54.5 Ų | 54.5 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | trans | -96.7 | -175.9 | -176.8 | 69 | 0.6 | 0 | 0 | 0 | 112.7 | L131 N135 E183 T184 K185 | L131-N181 HydrophobicContact CD2-CB 3.81Å; N135-N181 PolarHBondContact ND2-ND2 3.43Å; N135-N181 PolarHBondContact ND2-OD1 3.27Å; N135-N181 VanDerWaalsContact ND2-OD1 3.14Å; N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact ND2-OE2 3.5Å; N181-E183 PolarHBondContact O-N 3.36Å; N181-E183 WeakPolarHBondContact OD1-CA 3.49Å; N181-E183 VanDerWaalsContact OD1-CB 3.32Å; N181-E183 WeakPolarHBondContact OD1-CB 3.49Å; N181-E183 PolarHBondContact OD1-N 2.58Å; N181-E183 VanDerWaalsContact OD1-N 3.13Å; N181-T184 PolarHBondContact N-OG1 3.47Å; N181-T184 WeakPolarHBondContact O-CB 3.47Å; N181-T184 PolarHBondContact O-N 2.93Å; N181-T184 PolarHBondContact OD1-N 2.87Å; N181-T184 PolarHBondContact OD1-OG1 3.33Å; N181-K185 PolarHBondContact O-N 2.91Å | ||
| 182 | I | 94.3 | Very high | 93.3 | Very high | 133 Ų | 133 | 50.3 Ų | 50.3 | 68% | 0.682 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.4 | -35.9 | 175.3 | -61.2 | 168.6 | 0 | 0 | 0 | 110.5 | K185 V186 | I182-K185 WeakPolarHBondContact O-CB 3.27Å; I182-K185 PolarHBondContact O-N 2.92Å; I182-V186 HydrophobicContact CG2-CG2 4.47Å; I182-V186 WeakPolarHBondContact O-CG2 3.09Å; I182-V186 PolarHBondContact O-N 3.03Å |
| 183 | E | 95.6 | Very high | 93.1 | Very high | 119 Ų | 119 | 49.1 Ų | 49.1 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 177.2 | -52.8 | 172.1 | 156.8 | 0 | 0 | 111.2 | N135 N181 K185 V186 L187 | N135-E183 PolarHBondContact ND2-OE2 3.13Å; N181-E183 VanDerWaalsContact C-N 3.26Å; N181-E183 PolarHBondContact ND2-OE2 3.5Å; N181-E183 PolarHBondContact O-N 3.36Å; N181-E183 WeakPolarHBondContact OD1-CA 3.49Å; N181-E183 VanDerWaalsContact OD1-CB 3.32Å; N181-E183 WeakPolarHBondContact OD1-CB 3.49Å; N181-E183 PolarHBondContact OD1-N 2.58Å; N181-E183 VanDerWaalsContact OD1-N 3.13Å; E183-K185 VanDerWaalsContact C-N 3.26Å; E183-K185 PolarHBondContact O-N 3.29Å; E183-V186 PolarHBondContact O-N 3.12Å; E183-V186 VanDerWaalsContact O-N 3.1Å; E183-L187 WeakPolarHBondContact O-CG 3.36Å; E183-L187 PolarHBondContact O-N 3.24Å |
| 184 | T | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.8 | -44.9 | 174.1 | -44.9 | 0 | 0 | 0 | 0 | 110.2 | N135 L138 L170 P180 N181 L187 L188 | N135-T184 WeakPolarHBondContact OD1-CB 3.47Å; N135-T184 PolarHBondContact OD1-OG1 3.37Å; L138-T184 HydrophobicContact CD1-CG2 3.58Å; L170-T184 HydrophobicContact CD2-CG2 4.22Å; P180-T184 HydrophobicContact CB-CG2 3.85Å; N181-T184 PolarHBondContact N-OG1 3.47Å; N181-T184 WeakPolarHBondContact O-CB 3.47Å; N181-T184 PolarHBondContact O-N 2.93Å; N181-T184 PolarHBondContact OD1-N 2.87Å; N181-T184 PolarHBondContact OD1-OG1 3.33Å; T184-L187 PolarHBondContact O-N 2.79Å; T184-L188 HydrophobicContact CG2-CD1 4.13Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 WeakPolarHBondContact O-CB 3.38Å; T184-L188 WeakPolarHBondContact O-CG 3.26Å; T184-L188 PolarHBondContact O-N 3.1Å |
| 185 | K | 94.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.8 | -175.2 | -173.8 | 174.6 | -176.4 | 0 | 111.6 | N181 I182 E183 L187 L188 V189 Y202 | N181-K185 PolarHBondContact O-N 2.91Å; I182-K185 WeakPolarHBondContact O-CB 3.27Å; I182-K185 PolarHBondContact O-N 2.92Å; E183-K185 VanDerWaalsContact C-N 3.26Å; E183-K185 PolarHBondContact O-N 3.29Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 2.81Å; K185-L188 PolarHBondContact O-N 2.95Å; K185-V189 HydrophobicContact CG-CG2 4.5Å; K185-V189 WeakPolarHBondContact O-CG2 3.04Å; K185-V189 PolarHBondContact O-N 3.02Å; K185-Y202 HydrophobicContact CB-CE1 3.89Å; K185-Y202 HydrophobicContact CB-CE2 4.05Å; K185-Y202 HydrophobicContact CD-CE1 3.9Å; K185-Y202 HydrophobicContact CG-CD1 4.36Å; K185-Y202 HydrophobicContact CG-CE1 3.82Å |
| 186 | V | 95.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 42% | 0.418 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | -179.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I182 E183 V189 Q190 | I182-V186 HydrophobicContact CG2-CG2 4.47Å; I182-V186 WeakPolarHBondContact O-CG2 3.09Å; I182-V186 PolarHBondContact O-N 3.03Å; E183-V186 PolarHBondContact O-N 3.12Å; E183-V186 VanDerWaalsContact O-N 3.1Å; V186-V189 PolarHBondContact O-N 3.05Å; V186-Q190 HydrophobicContact CG1-CG 4.4Å; V186-Q190 WeakPolarHBondContact O-CB 3.47Å; V186-Q190 VanDerWaalsContact O-CG 3.32Å; V186-Q190 WeakPolarHBondContact O-CG 3.32Å; V186-Q190 PolarHBondContact O-N 3.37Å |
| 187 | L | 94.9 | Very high | 92.6 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 176.1 | -72 | 171.8 | 0 | 0 | 0 | 111.3 | N135 L138 D139 E183 T184 K185 V189 Q190 I191 | N135-L187 HydrophobicContact CB-CD1 4.11Å; N135-L187 WeakPolarHBondContact O-CD1 3.45Å; L138-L187 HydrophobicContact CB-CD1 4.29Å; D139-L187 HydrophobicContact CB-CD2 4.39Å; E183-L187 WeakPolarHBondContact O-CG 3.36Å; E183-L187 PolarHBondContact O-N 3.24Å; T184-L187 PolarHBondContact O-N 2.79Å; K185-L187 VanDerWaalsContact C-N 3.35Å; K185-L187 PolarHBondContact O-N 2.81Å; L187-V189 VanDerWaalsContact C-N 3.31Å; L187-V189 PolarHBondContact O-N 3.22Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 VanDerWaalsContact O-N 3.17Å; L187-I191 HydrophobicContact CB-CD1 4.21Å; L187-I191 WeakPolarHBondContact O-CB 3.36Å; L187-I191 VanDerWaalsContact O-CD1 3.26Å; L187-I191 WeakPolarHBondContact O-CD1 3.47Å; L187-I191 WeakPolarHBondContact O-CG1 3.36Å; L187-I191 PolarHBondContact O-N 2.99Å |
| 188 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 179.9 | -69.6 | 173.2 | 0 | 0 | 0 | 112.7 | L138 L170 T184 K185 F192 G193 P198 I199 Y202 | L138-L188 HydrophobicContact CD1-CD2 4.23Å; L138-L188 HydrophobicContact CD1-CG 4.45Å; L138-L188 HydrophobicContact CD2-CD2 4.04Å; L170-L188 HydrophobicContact CD1-CD1 3.84Å; L170-L188 HydrophobicContact CD1-CD2 4.46Å; L170-L188 HydrophobicContact CD2-CD1 4.16Å; L170-L188 HydrophobicContact CG-CD1 4.47Å; T184-L188 HydrophobicContact CG2-CD1 4.13Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 WeakPolarHBondContact O-CB 3.38Å; T184-L188 WeakPolarHBondContact O-CG 3.26Å; T184-L188 PolarHBondContact O-N 3.1Å; K185-L188 PolarHBondContact O-N 2.95Å; L188-F192 HydrophobicContact CD2-CD2 4.1Å; L188-F192 HydrophobicContact CD2-CE2 4.14Å; L188-F192 PolarHBondContact O-N 2.87Å; L188-G193 PolarHBondContact O-N 3.25Å; L188-P198 HydrophobicContact CD2-CB 3.78Å; L188-I199 HydrophobicContact CB-CD1 3.36Å; L188-I199 HydrophobicContact CB-CG1 4Å; L188-I199 HydrophobicContact CD1-CD1 4.23Å; L188-I199 HydrophobicContact CG-CD1 4.48Å; L188-Y202 HydrophobicContact CD1-CD2 4.39Å; L188-Y202 HydrophobicContact CD1-CG 4.32Å |
| 189 | V | 94.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 51 Ų | 51 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | K185 V186 L187 G193 E194 I199 | K185-V189 HydrophobicContact CG-CG2 4.5Å; K185-V189 WeakPolarHBondContact O-CG2 3.04Å; K185-V189 PolarHBondContact O-N 3.02Å; V186-V189 PolarHBondContact O-N 3.05Å; L187-V189 VanDerWaalsContact C-N 3.31Å; L187-V189 PolarHBondContact O-N 3.22Å; V189-G193 WeakPolarHBondContact O-CA 3.47Å; V189-G193 PolarHBondContact O-N 2.96Å; V189-E194 HydrophobicContact CG1-CG 3.87Å; V189-E194 HydrophobicContact CG2-CG 4.41Å; V189-I199 HydrophobicContact CG2-CD1 3.55Å; V189-I199 HydrophobicContact CG2-CG1 4.2Å |
| 190 | Q | 93.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 178.7 | -74.1 | 177.4 | -13 | 0 | 0 | 112.5 | E144 V186 L187 | E144-Q190 WeakPolarHBondContact CA-O 3.28Å; E144-Q190 PolarHBondContact N-O 3.21Å; V186-Q190 HydrophobicContact CG1-CG 4.4Å; V186-Q190 WeakPolarHBondContact O-CB 3.47Å; V186-Q190 VanDerWaalsContact O-CG 3.32Å; V186-Q190 WeakPolarHBondContact O-CG 3.32Å; V186-Q190 PolarHBondContact O-N 3.37Å; L187-Q190 PolarHBondContact O-N 3.47Å; L187-Q190 VanDerWaalsContact O-N 3.17Å |
| 191 | I | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.3 | -54.2 | -176.4 | -64.3 | 157.7 | 0 | 0 | 0 | 111 | L138 F141 F146 L187 | L138-I191 HydrophobicContact CB-CD1 4.45Å; L138-I191 WeakPolarHBondContact O-CD1 3.35Å; F141-I191 HydrophobicContact CB-CB 4.42Å; F141-I191 HydrophobicContact CB-CD1 3.94Å; F141-I191 HydrophobicContact CB-CG1 4.04Å; F141-I191 HydrophobicContact CB-CG2 3.46Å; F141-I191 VanDerWaalsContact CB-CG2 3.46Å; F141-I191 HydrophobicContact CD2-CD1 4.41Å; F141-I191 HydrophobicContact CD2-CG2 4.47Å; F141-I191 HydrophobicContact CG-CG2 3.96Å; F146-I191 WeakPolarHBondContact CB-O 3.37Å; F146-I191 HydrophobicContact CD2-CG2 3.78Å; F146-I191 HydrophobicContact CE2-CG2 4.29Å; F146-I191 PolarHBondContact N-O 2.98Å; L187-I191 HydrophobicContact CB-CD1 4.21Å; L187-I191 WeakPolarHBondContact O-CB 3.36Å; L187-I191 VanDerWaalsContact O-CD1 3.26Å; L187-I191 WeakPolarHBondContact O-CD1 3.47Å; L187-I191 WeakPolarHBondContact O-CG1 3.36Å; L187-I191 PolarHBondContact O-N 2.99Å |
| 192 | F | 91.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -110.1 | -18 | -168.8 | -58.7 | -72.4 | 0 | 0 | 0 | 114.2 | F141 F146 Q162 Q163 L188 S196 P198 | F141-F192 HydrophobicContact CD1-CZ 4.18Å; F141-F192 HydrophobicContact CD2-CE2 4.5Å; F141-F192 HydrophobicContact CD2-CZ 4.24Å; F141-F192 HydrophobicContact CE1-CZ 4.06Å; F141-F192 HydrophobicContact CE2-CZ 4.12Å; F141-F192 HydrophobicContact CG-CZ 4.27Å; F141-F192 HydrophobicContact CZ-CZ 4.03Å; F146-F192 HydrophobicContact CB-CD1 4.05Å; F146-F192 HydrophobicContact CD2-CD1 4.27Å; F146-F192 HydrophobicContact CD2-CE1 4.08Å; Q162-F192 HydrophobicContact CB-CE1 4.04Å; Q162-F192 WeakPolarHBondContact O-CE1 3.34Å; Q162-F192 WeakPolarHBondContact O-CZ 3.27Å; Q163-F192 HydrophobicContact CG-CD1 3.87Å; Q163-F192 HydrophobicContact CG-CE1 4.25Å; L188-F192 HydrophobicContact CD2-CD2 4.1Å; L188-F192 HydrophobicContact CD2-CE2 4.14Å; L188-F192 PolarHBondContact O-N 2.87Å; F192-S196 VanDerWaalsContact CB-CB 3.48Å; F192-S196 WeakPolarHBondContact CB-OG 3.48Å; F192-S196 WeakPolarHBondContact O-CB 3.37Å; F192-P198 HydrophobicContact CD1-CG 4.44Å; F192-P198 HydrophobicContact CD2-CB 3.95Å; F192-P198 HydrophobicContact CD2-CG 3.72Å; F192-P198 HydrophobicContact CE2-CB 4.26Å; F192-P198 HydrophobicContact CE2-CG 3.92Å; F192-P198 HydrophobicContact CG-CG 4Å; F192-P198 HydrophobicContact CZ-CG 4.36Å |
| 193 | G | 91.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | 89.9 | 161.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L188 V189 K195 S196 I199 | L188-G193 PolarHBondContact O-N 3.25Å; V189-G193 WeakPolarHBondContact O-CA 3.47Å; V189-G193 PolarHBondContact O-N 2.96Å; G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 2.78Å; G193-S196 WeakPolarHBondContact O-CB 3.26Å; G193-S196 PolarHBondContact O-N 3.49Å; G193-S196 PolarHBondContact O-OG 3.44Å; G193-I199 WeakPolarHBondContact O-CG1 3.49Å | ||
| 194 | E | 89.8 | Confident | 93.3 | Very high | 141 Ų | 141 | 53.3 Ų | 53.3 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.3 | -172.5 | -62.6 | -176.4 | 159.8 | 0 | 0 | 115.3 | V189 I199 | V189-E194 HydrophobicContact CG1-CG 3.87Å; V189-E194 HydrophobicContact CG2-CG 4.41Å; E194-I199 WeakPolarHBondContact O-CG2 3.48Å |
| 195 | K | 86.4 | Confident | 93.2 | Very high | 121 Ų | 121 | 53.4 Ų | 53.4 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 17.9 | -173.9 | -66.3 | 179.6 | 177.7 | -179.5 | 0 | 112.9 | R154 G193 | R154-K195 HydrophobicContact CG-CB 4.38Å; G193-K195 VanDerWaalsContact C-N 3.27Å; G193-K195 PolarHBondContact O-N 2.78Å |
| 196 | S | 90.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -81.4 | 162.5 | 179.8 | 64.8 | 0 | 0 | 0 | 0 | 113 | F192 G193 I199 R200 | F192-S196 VanDerWaalsContact CB-CB 3.48Å; F192-S196 WeakPolarHBondContact CB-OG 3.48Å; F192-S196 WeakPolarHBondContact O-CB 3.37Å; G193-S196 WeakPolarHBondContact O-CB 3.26Å; G193-S196 PolarHBondContact O-N 3.49Å; G193-S196 PolarHBondContact O-OG 3.44Å; S196-I199 PolarHBondContact O-N 3.33Å; S196-R200 PolarHBondContact O-N 3.09Å |
| 197 | H | 92.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -41 | 176.7 | -67.6 | -59.5 | 0 | 0 | 0 | 113.8 | N157 Q163 V167 I199 R200 K201 | N157-H197 PolarHBondContact OD1-NE2 3.48Å; Q163-H197 PolarHBondContact OE1-CD2 3.37Å; Q163-H197 VanDerWaalsContact OE1-N 3.12Å; V167-H197 HydrophobicContact CG2-CB 4.18Å; H197-I199 VanDerWaalsContact C-N 3.32Å; H197-I199 PolarHBondContact O-N 3.38Å; H197-R200 WeakPolarHBondContact O-CB 3.12Å; H197-R200 PolarHBondContact O-N 3.21Å; H197-R200 VanDerWaalsContact O-N 3.12Å; H197-K201 PolarHBondContact O-N 3.27Å |
| 198 | P | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 174.4 | -28.1 | 36.8 | 0 | 0 | 0 | 113.2 | Q163 V167 L170 L188 F192 R200 K201 Y202 | Q163-P198 HydrophobicContact CB-CG 4.36Å; Q163-P198 WeakPolarHBondContact O-CG 3.2Å; V167-P198 HydrophobicContact CG2-CG 4.14Å; L170-P198 HydrophobicContact CD1-CB 4.21Å; L170-P198 WeakPolarHBondContact CD1-O 3.17Å; L188-P198 HydrophobicContact CD2-CB 3.78Å; F192-P198 HydrophobicContact CD1-CG 4.44Å; F192-P198 HydrophobicContact CD2-CB 3.95Å; F192-P198 HydrophobicContact CD2-CG 3.72Å; F192-P198 HydrophobicContact CE2-CB 4.26Å; F192-P198 HydrophobicContact CE2-CG 3.92Å; F192-P198 HydrophobicContact CG-CG 4Å; F192-P198 HydrophobicContact CZ-CG 4.36Å; P198-R200 PolarHBondContact O-N 3.24Å; P198-K201 PolarHBondContact O-N 3.33Å; P198-Y202 PolarHBondContact O-N 2.99Å |
| 199 | I | 94.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 175.6 | -72.8 | -67.9 | 0 | 0 | 0 | 111.9 | L188 V189 G193 E194 S196 H197 K201 Y202 Q203 | L188-I199 HydrophobicContact CB-CD1 3.36Å; L188-I199 HydrophobicContact CB-CG1 4Å; L188-I199 HydrophobicContact CD1-CD1 4.23Å; L188-I199 HydrophobicContact CG-CD1 4.48Å; V189-I199 HydrophobicContact CG2-CD1 3.55Å; V189-I199 HydrophobicContact CG2-CG1 4.2Å; G193-I199 WeakPolarHBondContact O-CG1 3.49Å; E194-I199 WeakPolarHBondContact O-CG2 3.48Å; S196-I199 PolarHBondContact O-N 3.33Å; H197-I199 VanDerWaalsContact C-N 3.32Å; H197-I199 PolarHBondContact O-N 3.38Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 2.74Å; I199-Y202 WeakPolarHBondContact O-CB 3.39Å; I199-Y202 PolarHBondContact O-N 2.78Å; I199-Q203 HydrophobicContact CG2-CG 4.34Å; I199-Q203 WeakPolarHBondContact O-CB 3.34Å; I199-Q203 VanDerWaalsContact O-CG 3.27Å; I199-Q203 WeakPolarHBondContact O-CG 3.49Å; I199-Q203 PolarHBondContact O-N 2.91Å |
| 200 | R | 94.1 | Very high | 92.5 | Very high | 122 Ų | 122 | 62.7 Ų | 62.7 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 175 | -71 | 176.2 | 175.3 | 174.4 | -2.7 | 111.9 | S196 H197 P198 Q203 R204 | S196-R200 PolarHBondContact O-N 3.09Å; H197-R200 WeakPolarHBondContact O-CB 3.12Å; H197-R200 PolarHBondContact O-N 3.21Å; H197-R200 VanDerWaalsContact O-N 3.12Å; P198-R200 PolarHBondContact O-N 3.24Å; R200-Q203 PolarHBondContact O-N 2.7Å; R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 3.15Å |
| 201 | K | 95 | Very high | 92.3 | Very high | 41 Ų | 41 | 64.3 Ų | 64.3 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 173.6 | 179.1 | 68.2 | 162.8 | -175.5 | 0 | 110.8 | V167 L170 E174 H197 P198 I199 Q203 R204 I205 | V167-K201 HydrophobicContact CG1-CG 4.39Å; L170-K201 HydrophobicContact CB-CG 3.77Å; L170-K201 HydrophobicContact CD1-CB 3.99Å; L170-K201 HydrophobicContact CD1-CG 3.99Å; E174-K201 WeakPolarHBondContact OE2-CE 3.41Å; E174-K201 IonicContact OE2-NZ 3.14Å; E174-K201 PolarHBondContact OE2-NZ 3.4Å; H197-K201 PolarHBondContact O-N 3.27Å; P198-K201 PolarHBondContact O-N 3.33Å; I199-K201 VanDerWaalsContact C-N 3.34Å; I199-K201 PolarHBondContact O-N 2.74Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.44Å; K201-R204 WeakPolarHBondContact O-CB 3.23Å; K201-R204 PolarHBondContact O-N 3.11Å; K201-R204 VanDerWaalsContact O-N 3.14Å; K201-I205 HydrophobicContact CD-CD1 4.4Å; K201-I205 HydrophobicContact CG-CD1 4.15Å; K201-I205 WeakPolarHBondContact O-CG1 3.46Å; K201-I205 PolarHBondContact O-N 3.47Å |
| 202 | Y | 95.9 | Very high | 92.1 | Very high | 19 Ų | 19 | 70.1 Ų | 70.1 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.6 | -46.7 | 173.4 | 168.8 | -89.2 | 0 | 0 | 0 | 112.1 | P180 K185 L188 P198 I199 R204 I205 M206 | P180-Y202 HydrophobicContact CB-CD2 3.74Å; P180-Y202 HydrophobicContact CB-CE2 3.75Å; P180-Y202 HydrophobicContact CG-CD2 3.95Å; P180-Y202 HydrophobicContact CG-CE2 4.26Å; K185-Y202 HydrophobicContact CB-CE1 3.89Å; K185-Y202 HydrophobicContact CB-CE2 4.05Å; K185-Y202 HydrophobicContact CD-CE1 3.9Å; K185-Y202 HydrophobicContact CG-CD1 4.36Å; K185-Y202 HydrophobicContact CG-CE1 3.82Å; L188-Y202 HydrophobicContact CD1-CD2 4.39Å; L188-Y202 HydrophobicContact CD1-CG 4.32Å; P198-Y202 PolarHBondContact O-N 2.99Å; I199-Y202 WeakPolarHBondContact O-CB 3.39Å; I199-Y202 PolarHBondContact O-N 2.78Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 3.05Å; Y202-I205 PolarHBondContact O-N 3.35Å; Y202-M206 HydrophobicContact CD1-CG 4.27Å; Y202-M206 HydrophobicContact CD2-CG 4.31Å; Y202-M206 HydrophobicContact CE1-CG 3.77Å; Y202-M206 HydrophobicContact CE2-CG 3.83Å; Y202-M206 HydrophobicContact CE2-SD 4.36Å; Y202-M206 WeakPolarHBondContact O-CB 3.49Å; Y202-M206 WeakPolarHBondContact O-CG 2.99Å; Y202-M206 PolarHBondContact O-N 3.05Å |
| 203 | Q | 94.8 | Very high | 91.8 | Very high | 107 Ų | 107 | 77.4 Ų | 77.4 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 178 | -73.7 | 169.3 | -9.9 | 0 | 0 | 112.2 | I199 R200 K201 M206 Y207 | I199-Q203 HydrophobicContact CG2-CG 4.34Å; I199-Q203 WeakPolarHBondContact O-CB 3.34Å; I199-Q203 VanDerWaalsContact O-CG 3.27Å; I199-Q203 WeakPolarHBondContact O-CG 3.49Å; I199-Q203 PolarHBondContact O-N 2.91Å; R200-Q203 PolarHBondContact O-N 2.7Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.44Å; Q203-M206 PolarHBondContact O-N 2.79Å; Q203-Y207 VanDerWaalsContact O-CB 3.25Å; Q203-Y207 WeakPolarHBondContact O-CB 3.49Å; Q203-Y207 PolarHBondContact O-N 3.13Å |
| 204 | R | 95.1 | Very high | 91.4 | Very high | 169 Ų | 169 | 84 Ų | 84 | 64% | 0.638 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 175.8 | -73.8 | 176.6 | -176.7 | -168.6 | 1.1 | 111.4 | R200 K201 Y202 Y207 W208 | R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 3.15Å; K201-R204 WeakPolarHBondContact O-CB 3.23Å; K201-R204 PolarHBondContact O-N 3.11Å; K201-R204 VanDerWaalsContact O-N 3.14Å; Y202-R204 VanDerWaalsContact C-N 3.34Å; Y202-R204 PolarHBondContact O-N 3.05Å; R204-Y207 PolarHBondContact O-N 2.92Å; R204-W208 WeakPolarHBondContact O-CB 3.39Å; R204-W208 VanDerWaalsContact O-CD1 3.29Å; R204-W208 PolarHBondContact O-N 2.95Å |
| 205 | I | 93.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 81.9 Ų | 81.9 | 2% | 0.015 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.9 | -52.3 | 176.3 | -66.9 | 168.3 | 0 | 0 | 0 | 109.6 | L170 E174 P180 K201 Y202 Y207 W208 F209 | L170-I205 HydrophobicContact CB-CD1 4.19Å; E174-I205 HydrophobicContact CB-CD1 4.24Å; P180-I205 HydrophobicContact CG-CG2 4.1Å; K201-I205 HydrophobicContact CD-CD1 4.4Å; K201-I205 HydrophobicContact CG-CD1 4.15Å; K201-I205 WeakPolarHBondContact O-CG1 3.46Å; K201-I205 PolarHBondContact O-N 3.47Å; Y202-I205 PolarHBondContact O-N 3.35Å; I205-Y207 PolarHBondContact O-N 3.33Å; I205-W208 PolarHBondContact O-N 2.95Å; I205-F209 HydrophobicContact CG1-CE1 4.43Å; I205-F209 HydrophobicContact CG2-CD1 4.06Å; I205-F209 HydrophobicContact CG2-CD2 3.72Å; I205-F209 HydrophobicContact CG2-CE1 4.12Å; I205-F209 HydrophobicContact CG2-CE2 3.78Å; I205-F209 HydrophobicContact CG2-CG 3.88Å; I205-F209 HydrophobicContact CG2-CZ 3.99Å; I205-F209 VanDerWaalsContact O-CB 3.26Å; I205-F209 WeakPolarHBondContact O-CB 3.24Å; I205-F209 PolarHBondContact O-N 2.99Å |
| 206 | M | 93.8 | Very high | 91.1 | Very high | 69 Ų | 69 | 79.6 Ų | 79.6 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -27.1 | -179.4 | -72.8 | -60.2 | -66.9 | 0 | 0 | 114.1 | M179 Y202 Q203 P210 | M179-M206 HydrophobicContact CG-SD 4Å; M179-M206 HydrophobicContact SD-SD 4.43Å; Y202-M206 HydrophobicContact CD1-CG 4.27Å; Y202-M206 HydrophobicContact CD2-CG 4.31Å; Y202-M206 HydrophobicContact CE1-CG 3.77Å; Y202-M206 HydrophobicContact CE2-CG 3.83Å; Y202-M206 HydrophobicContact CE2-SD 4.36Å; Y202-M206 WeakPolarHBondContact O-CB 3.49Å; Y202-M206 WeakPolarHBondContact O-CG 2.99Å; Y202-M206 PolarHBondContact O-N 3.05Å; Q203-M206 PolarHBondContact O-N 2.79Å; M206-P210 VanDerWaalsContact O-CD 3.29Å; M206-P210 WeakPolarHBondContact O-CD 3.46Å; M206-P210 WeakPolarHBondContact O-CG 3.38Å |
| 207 | Y | 93.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 84.1 Ų | 84.1 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -83 | -44.5 | 177.4 | 179.2 | -98.6 | 0 | 0 | 0 | 112.6 | Q203 R204 I205 K211 | Q203-Y207 VanDerWaalsContact O-CB 3.25Å; Q203-Y207 WeakPolarHBondContact O-CB 3.49Å; Q203-Y207 PolarHBondContact O-N 3.13Å; R204-Y207 PolarHBondContact O-N 2.92Å; I205-Y207 PolarHBondContact O-N 3.33Å; Y207-K211 HydrophobicContact CE1-CD 4.3Å; Y207-K211 WeakPolarHBondContact O-CG 3.42Å; Y207-K211 PolarHBondContact OH-NZ 3.39Å |
| 208 | W | 92.2 | Very high | 90.6 | Very high | 119 Ų | 119 | 87.9 Ų | 87.9 | 45% | 0.451 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -87 | -39.2 | -172.1 | -73.2 | 120.3 | 0 | 0 | 0 | 113.6 | R204 I205 K211 F212 | R204-W208 WeakPolarHBondContact O-CB 3.39Å; R204-W208 VanDerWaalsContact O-CD1 3.29Å; R204-W208 PolarHBondContact O-N 2.95Å; I205-W208 PolarHBondContact O-N 2.95Å; W208-K211 HydrophobicContact CE3-CD 4.38Å; W208-K211 WeakPolarHBondContact O-CB 3.5Å; W208-K211 PolarHBondContact O-N 3.09Å; W208-F212 HydrophobicContact CB-CD2 3.93Å; W208-F212 HydrophobicContact CB-CE2 3.76Å; W208-F212 AromaticContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CZ 4.3Å; W208-F212 HydrophobicContact CE3-CD2 4.4Å; W208-F212 HydrophobicContact CE3-CE1 4.48Å; W208-F212 AromaticContact CE3-CE2 3.5Å; W208-F212 HydrophobicContact CE3-CE2 3.5Å; W208-F212 VanDerWaalsContact CE3-CE2 3.5Å; W208-F212 AromaticContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CG-CE2 4.06Å; W208-F212 HydrophobicContact CZ3-CE2 4.35Å; W208-F212 AromaticContact CZ3-CZ 3.93Å; W208-F212 HydrophobicContact CZ3-CZ 3.93Å; W208-F212 VanDerWaalsContact O-CD2 3.28Å; W208-F212 WeakPolarHBondContact O-CD2 3.32Å; W208-F212 PolarHBondContact O-N 3.37Å |
| 209 | F | 90.3 | Very high | 90.1 | Very high | 51 Ų | 51 | 93 Ų | 93 | 22% | 0.224 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | -174.6 | -81.3 | 26.9 | 0 | 0 | 0 | 113.3 | E174 I205 K211 F212 K213 | E174-F209 HydrophobicContact CB-CE1 4.48Å; E174-F209 HydrophobicContact CB-CZ 3.69Å; E174-F209 HydrophobicContact CG-CE1 4.15Å; E174-F209 HydrophobicContact CG-CZ 3.67Å; I205-F209 HydrophobicContact CG1-CE1 4.43Å; I205-F209 HydrophobicContact CG2-CD1 4.06Å; I205-F209 HydrophobicContact CG2-CD2 3.72Å; I205-F209 HydrophobicContact CG2-CE1 4.12Å; I205-F209 HydrophobicContact CG2-CE2 3.78Å; I205-F209 HydrophobicContact CG2-CG 3.88Å; I205-F209 HydrophobicContact CG2-CZ 3.99Å; I205-F209 VanDerWaalsContact O-CB 3.26Å; I205-F209 WeakPolarHBondContact O-CB 3.24Å; I205-F209 PolarHBondContact O-N 2.99Å; F209-K211 PolarHBondContact O-N 3.49Å; F209-F212 PolarHBondContact O-N 3.39Å; F209-K213 WeakPolarHBondContact O-CB 3.06Å; F209-K213 PolarHBondContact O-N 3.14Å |
| 210 | P | 90.2 | Very high | 89.7 | Confident | 69 Ų | 69 | 94.2 Ų | 94.2 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -31 | 177 | -23.8 | 35.8 | 0 | 0 | 0 | 112.8 | M206 | M206-P210 VanDerWaalsContact O-CD 3.29Å; M206-P210 WeakPolarHBondContact O-CD 3.46Å; M206-P210 WeakPolarHBondContact O-CG 3.38Å |
| 211 | K | 89.4 | Confident | 89.4 | Confident | 108 Ų | 108 | 91.3 Ų | 91.3 | 47% | 0.47 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | 178.2 | -65.1 | -175.3 | 177 | -154.1 | 0 | 111.7 | Y207 W208 F209 V215 | Y207-K211 HydrophobicContact CE1-CD 4.3Å; Y207-K211 WeakPolarHBondContact O-CG 3.42Å; Y207-K211 PolarHBondContact OH-NZ 3.39Å; W208-K211 HydrophobicContact CE3-CD 4.38Å; W208-K211 WeakPolarHBondContact O-CB 3.5Å; W208-K211 PolarHBondContact O-N 3.09Å; F209-K211 PolarHBondContact O-N 3.49Å; K211-V215 VanDerWaalsContact O-CG2 3.25Å; K211-V215 WeakPolarHBondContact O-CG2 3.35Å |
| 212 | F | 87.4 | Confident | 88.8 | Confident | 123 Ų | 123 | 97.5 Ų | 97.5 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -83.6 | -17.9 | -179.3 | -65.6 | -50.1 | 0 | 0 | 0 | 114.3 | W208 F209 H214 V215 | W208-F212 HydrophobicContact CB-CD2 3.93Å; W208-F212 HydrophobicContact CB-CE2 3.76Å; W208-F212 AromaticContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CE2 3.91Å; W208-F212 HydrophobicContact CD2-CZ 4.3Å; W208-F212 HydrophobicContact CE3-CD2 4.4Å; W208-F212 HydrophobicContact CE3-CE1 4.48Å; W208-F212 AromaticContact CE3-CE2 3.5Å; W208-F212 HydrophobicContact CE3-CE2 3.5Å; W208-F212 VanDerWaalsContact CE3-CE2 3.5Å; W208-F212 AromaticContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CE3-CZ 3.53Å; W208-F212 HydrophobicContact CG-CE2 4.06Å; W208-F212 HydrophobicContact CZ3-CE2 4.35Å; W208-F212 AromaticContact CZ3-CZ 3.93Å; W208-F212 HydrophobicContact CZ3-CZ 3.93Å; W208-F212 VanDerWaalsContact O-CD2 3.28Å; W208-F212 WeakPolarHBondContact O-CD2 3.32Å; W208-F212 PolarHBondContact O-N 3.37Å; F209-F212 PolarHBondContact O-N 3.39Å; F212-H214 PolarHBondContact O-N 2.88Å; F212-V215 HydrophobicContact CD1-CG2 4.02Å; F212-V215 PolarHBondContact O-N 3.49Å |
| 213 | K | 83.4 | Confident | 88.3 | Confident | 157 Ų | 157 | 102.1 Ų | 102.1 | 68% | 0.683 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -34.4 | -175.6 | -171.4 | 177.6 | 177.8 | -176.7 | 0 | 114 | F209 | F209-K213 WeakPolarHBondContact O-CB 3.06Å; F209-K213 PolarHBondContact O-N 3.14Å |
| 214 | H | 82.9 | Confident | 88.1 | Confident | 146 Ų | 146 | 98.7 Ų | 98.7 | 68% | 0.676 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 23 | -175.6 | -57.9 | -63.3 | 0 | 0 | 0 | 113 | F212 | F212-H214 PolarHBondContact O-N 2.88Š|
| 215 | V | 87.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 92.6 Ų | 92.6 | 58% | 0.582 | 47% | 0.47 | S | S | * | . | trans | -71.3 | -32.6 | 179.3 | 165.9 | 0 | 0 | 0 | 0 | 112.1 | K211 F212 P217 | K211-V215 VanDerWaalsContact O-CG2 3.25Å; K211-V215 WeakPolarHBondContact O-CG2 3.35Å; F212-V215 HydrophobicContact CD1-CG2 4.02Å; F212-V215 PolarHBondContact O-N 3.49Å; V215-P217 VanDerWaalsContact O-CD 3.28Å; V215-P217 WeakPolarHBondContact O-CD 3.47Å | ||
| 216 | N | 83.9 | Confident | 87.6 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 40% | 0.396 | 51% | 0.512 | S | S | . | . | trans | -74.8 | 116.7 | 175.8 | 178.6 | 5.6 | 0 | 0 | 0 | 109.8 | F218 R238 | N216-F218 VanDerWaalsContact CG-O 3.29Å; N216-F218 PolarHBondContact ND2-O 3.48Å; N216-F218 PolarHBondContact O-N 3.3Å; N216-F218 PolarHBondContact OD1-N 3.18Å; N216-F218 PolarHBondContact OD1-O 3.26Å; N216-R238 PolarHBondContact ND2-NH2 2.93Å | ||
| 217 | P | 85.7 | Confident | 87.5 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -66.5 | -21.6 | 179.2 | 26.5 | -33.5 | 0 | 0 | 0 | 112.8 | V215 P219 | V215-P217 VanDerWaalsContact O-CD 3.28Å; V215-P217 WeakPolarHBondContact O-CD 3.47Å; P217-P219 VanDerWaalsContact O-CD 3.27Å; P217-P219 WeakPolarHBondContact O-CD 3.48Å |
| 218 | F | 84.4 | Confident | 87.4 | Confident | 146 Ų | 146 | 98.5 Ų | 98.5 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -115.7 | 83.1 | -179 | -53.9 | -68.2 | 0 | 0 | 0 | 109.9 | N216 R238 | N216-F218 VanDerWaalsContact CG-O 3.29Å; N216-F218 PolarHBondContact ND2-O 3.48Å; N216-F218 PolarHBondContact O-N 3.3Å; N216-F218 PolarHBondContact OD1-N 3.18Å; N216-F218 PolarHBondContact OD1-O 3.26Å; F218-R238 PolarHBondContact O-NH1 3.4Å; F218-R238 PolarHBondContact O-NH2 2.82Å |
| 219 | P | 84.9 | Confident | 87.4 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 148.3 | -177.6 | 28.3 | -35.2 | 0 | 0 | 0 | 111.9 | P217 | P217-P219 VanDerWaalsContact O-CD 3.27Å; P217-P219 WeakPolarHBondContact O-CD 3.48Å |
| 220 | V | 85.9 | Confident | 87.6 | Confident | 28 Ų | 28 | 94.8 Ų | 94.8 | 17% | 0.17 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 129.3 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | L224 K301 | V220-L224 HydrophobicContact CG1-CD2 3.42Å; V220-L224 VanDerWaalsContact CG1-CD2 3.42Å; V220-K301 HydrophobicContact CG1-CD 4.37Å; V220-K301 PolarHBondContact O-NZ 3.33Å |
| 221 | P | 87.1 | Confident | 87.7 | Confident | 61 Ų | 61 | 92.6 Ų | 92.6 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -48.5 | 142.1 | -178.1 | -29.2 | 34.2 | 0 | 0 | 0 | 114.9 | P223 L234 K301 | P221-P223 CarbonylContact C-O 3.56Å; P221-P223 VanDerWaalsContact C-O 3.23Å; P221-P223 CarbonylContact O-C 3.54Å; P221-L234 HydrophobicContact CG-CD1 4.3Å; P221-L234 HydrophobicContact CG-CD2 4.23Å; P221-K301 PolarHBondContact O-NZ 3.39Å |
| 222 | Q | 82.6 | Confident | 87.9 | Confident | 172 Ų | 172 | 87.5 Ų | 87.5 | 80% | 0.804 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -125.3 | 114.4 | 175.9 | -71.6 | -177.4 | 20.6 | 0 | 0 | 109.5 | ||
| 223 | P | 86.4 | Confident | 88.2 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 75% | 0.747 | 45% | 0.448 | S | S | * | . | S | Bend | cis | -67.4 | 167.7 | -3.4 | 30.4 | -35.6 | 0 | 0 | 0 | 113.5 | P221 | P221-P223 CarbonylContact C-O 3.56Å; P221-P223 VanDerWaalsContact C-O 3.23Å; P221-P223 CarbonylContact O-C 3.54Å |
| 224 | L | 89.1 | Confident | 88.7 | Confident | 36 Ų | 36 | 78.8 Ų | 78.8 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 152 | 168.3 | -76.4 | 171.1 | 0 | 0 | 0 | 109.4 | V220 E226 L234 L300 K301 T303 | V220-L224 HydrophobicContact CG1-CD2 3.42Å; V220-L224 VanDerWaalsContact CG1-CD2 3.42Å; L224-E226 PolarHBondContact O-N 2.87Å; L224-L234 HydrophobicContact CD2-CD2 4.3Å; L224-L300 HydrophobicContact CD1-CB 4.4Å; L224-L300 WeakPolarHBondContact CD1-O 3.44Å; L224-K301 HydrophobicContact CD1-CD 4.35Å; L224-K301 HydrophobicContact CG-CD 4.4Å; L224-T303 VanDerWaalsContact CD1-OG1 3.23Å; L224-T303 WeakPolarHBondContact CD1-OG1 3.43Å |
| 225 | P | 91.8 | Very high | 89.1 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 26% | 0.26 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 136.3 | 170.7 | -21.6 | 33 | 0 | 0 | 0 | 111.1 | D230 L234 | P225-D230 HydrophobicContact CB-CB 3.83Å; P225-D230 HydrophobicContact CG-CB 4.44Å; P225-L234 HydrophobicContact CG-CD2 4.21Å |
| 226 | E | 88.4 | Confident | 89.5 | Confident | 192 Ų | 192 | 67.3 Ų | 67.3 | 90% | 0.897 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -83 | -29 | 176.7 | -65.9 | -179.7 | 179.7 | 0 | 0 | 111.8 | L224 | L224-E226 PolarHBondContact O-N 2.87Š|
| 227 | D | 91.5 | Very high | 89.8 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -69.9 | 124.2 | 176.8 | -177.1 | -1.9 | 0 | 0 | 0 | 110.3 | V229 D230 L231 | D227-V229 PolarHBondContact O-N 3.06Å; D227-V229 PolarHBondContact OD1-N 3.48Å; D227-D230 HydrophobicContact CB-CB 4.18Å; D227-D230 PolarHBondContact O-N 2.7Å; D227-L231 WeakPolarHBondContact O-CB 3.44Å; D227-L231 PolarHBondContact O-N 2.93Å |
| 228 | P | 90.4 | Very high | 90 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.3 | -32.3 | 176.6 | 23.5 | -36 | 0 | 0 | 0 | 113.3 | A232 | P228-A232 WeakPolarHBondContact O-CB 3.48Å; P228-A232 PolarHBondContact O-N 3.49Å |
| 229 | V | 93.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.3 | -49.5 | -179.8 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | D227 L231 A232 I233 V249 L252 P253 H268 V270 | D227-V229 PolarHBondContact O-N 3.06Å; D227-V229 PolarHBondContact OD1-N 3.48Å; V229-L231 VanDerWaalsContact C-N 3.27Å; V229-L231 PolarHBondContact O-N 3.17Å; V229-A232 WeakPolarHBondContact O-CB 3.36Å; V229-A232 PolarHBondContact O-N 2.88Å; V229-I233 HydrophobicContact CG1-CD1 4Å; V229-I233 VanDerWaalsContact O-CG1 3.27Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.42Å; V229-V249 HydrophobicContact CG1-CG1 4.44Å; V229-V249 HydrophobicContact CG1-CG2 4.22Å; V229-L252 HydrophobicContact CG1-CD2 4.29Å; V229-L252 HydrophobicContact CG2-CD2 4.12Å; V229-P253 HydrophobicContact CG2-CG 4.28Å; V229-H268 HydrophobicContact CG2-CB 3.99Å; V229-V270 HydrophobicContact CG1-CG2 4.03Å |
| 230 | D | 93.2 | Very high | 90.6 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | 176.5 | -75.8 | -18.5 | 0 | 0 | 0 | 111.9 | P225 D227 I233 L234 | P225-D230 HydrophobicContact CB-CB 3.83Å; P225-D230 HydrophobicContact CG-CB 4.44Å; D227-D230 HydrophobicContact CB-CB 4.18Å; D227-D230 PolarHBondContact O-N 2.7Å; D230-I233 PolarHBondContact O-N 3.1Å; D230-L234 WeakPolarHBondContact O-CB 3.13Å; D230-L234 PolarHBondContact O-N 2.97Å |
| 231 | L | 93.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.2 | -169.1 | 157.3 | 0 | 0 | 0 | 110.7 | D227 V229 L234 S235 L300 V305 | D227-L231 WeakPolarHBondContact O-CB 3.44Å; D227-L231 PolarHBondContact O-N 2.93Å; V229-L231 VanDerWaalsContact C-N 3.27Å; V229-L231 PolarHBondContact O-N 3.17Å; L231-L234 PolarHBondContact O-N 3.33Å; L231-S235 VanDerWaalsContact O-CB 3.28Å; L231-S235 WeakPolarHBondContact O-CB 3.2Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-S235 PolarHBondContact O-OG 3.42Å; L231-L300 HydrophobicContact CD2-CD1 4.16Å; L231-L300 HydrophobicContact CG-CD1 4.37Å; L231-V305 HydrophobicContact CD2-CB 4.29Å; L231-V305 HydrophobicContact CD2-CG1 3.37Å; L231-V305 HydrophobicContact CD2-CG2 4.26Å |
| 232 | A | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P228 V229 L234 S235 L236 V270 M366 | P228-A232 WeakPolarHBondContact O-CB 3.48Å; P228-A232 PolarHBondContact O-N 3.49Å; V229-A232 WeakPolarHBondContact O-CB 3.36Å; V229-A232 PolarHBondContact O-N 2.88Å; A232-L234 PolarHBondContact O-N 2.96Å; A232-S235 PolarHBondContact O-N 3.21Å; A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.41Å; A232-V270 HydrophobicContact CB-CB 4.11Å; A232-V270 HydrophobicContact CB-CG2 4.01Å; A232-M366 HydrophobicContact CB-CB 3.93Å; A232-M366 HydrophobicContact CB-SD 4.29Å |
| 233 | I | 93.8 | Very high | 90.3 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 176.1 | -66.2 | 166.3 | 0 | 0 | 0 | 110.7 | V229 D230 S235 N237 T247 V249 V270 | V229-I233 HydrophobicContact CG1-CD1 4Å; V229-I233 VanDerWaalsContact O-CG1 3.27Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.42Å; D230-I233 PolarHBondContact O-N 3.1Å; I233-S235 VanDerWaalsContact C-N 3.29Å; I233-S235 PolarHBondContact O-N 3.23Å; I233-N237 WeakPolarHBondContact CG2-ND2 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.46Å; I233-N237 VanDerWaalsContact O-CG 3.31Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-N237 PolarHBondContact O-ND2 2.87Å; I233-T247 HydrophobicContact CB-CG2 4.33Å; I233-T247 HydrophobicContact CG1-CG2 3.84Å; I233-T247 HydrophobicContact CG2-CG2 4.21Å; I233-V249 HydrophobicContact CD1-CG2 4.28Å; I233-V270 HydrophobicContact CG1-CG1 3.93Å |
| 234 | L | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 64.8 Ų | 64.8 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.7 | 177.5 | 68.5 | 0 | 0 | 0 | 111.7 | P221 L224 P225 D230 L231 A232 R238 | P221-L234 HydrophobicContact CG-CD1 4.3Å; P221-L234 HydrophobicContact CG-CD2 4.23Å; L224-L234 HydrophobicContact CD2-CD2 4.3Å; P225-L234 HydrophobicContact CG-CD2 4.21Å; D230-L234 WeakPolarHBondContact O-CB 3.13Å; D230-L234 PolarHBondContact O-N 2.97Å; L231-L234 PolarHBondContact O-N 3.33Å; A232-L234 PolarHBondContact O-N 2.96Å; L234-R238 WeakPolarHBondContact O-CB 3.48Å; L234-R238 PolarHBondContact O-N 3.14Å |
| 235 | S | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.3 | -48.1 | -177.9 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | L231 A232 I233 R238 I239 L300 M366 | L231-S235 VanDerWaalsContact O-CB 3.28Å; L231-S235 WeakPolarHBondContact O-CB 3.2Å; L231-S235 PolarHBondContact O-N 3.33Å; L231-S235 PolarHBondContact O-OG 3.42Å; A232-S235 PolarHBondContact O-N 3.21Å; I233-S235 VanDerWaalsContact C-N 3.29Å; I233-S235 PolarHBondContact O-N 3.23Å; S235-R238 WeakPolarHBondContact O-CB 3.48Å; S235-R238 PolarHBondContact O-N 3.5Å; S235-R238 VanDerWaalsContact O-N 3.13Å; S235-I239 PolarHBondContact O-N 2.9Å; S235-I239 VanDerWaalsContact O-N 3.16Å; S235-L300 WeakPolarHBondContact OG-CD1 3.18Å; S235-M366 WeakPolarHBondContact CB-SD 3.44Å |
| 236 | L | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 178.3 | -74.7 | 176.9 | 0 | 0 | 0 | 111.8 | A232 R238 I239 A240 V270 I272 M364 M366 | A232-L236 WeakPolarHBondContact O-CB 3.35Å; A232-L236 WeakPolarHBondContact O-CG 3.34Å; A232-L236 PolarHBondContact O-N 3.41Å; L236-R238 PolarHBondContact O-N 2.79Å; L236-I239 HydrophobicContact CD2-CD1 4.15Å; L236-I239 WeakPolarHBondContact O-CG1 3.24Å; L236-I239 PolarHBondContact O-N 3.22Å; L236-A240 WeakPolarHBondContact O-CB 3.22Å; L236-A240 PolarHBondContact O-N 3.49Å; L236-V270 HydrophobicContact CD1-CB 4.13Å; L236-V270 HydrophobicContact CD1-CG1 3.72Å; L236-I272 HydrophobicContact CB-CB 4.07Å; L236-I272 HydrophobicContact CB-CD1 4.16Å; L236-I272 HydrophobicContact CB-CG2 3.88Å; L236-I272 HydrophobicContact CD1-CB 4.27Å; L236-I272 HydrophobicContact CD1-CG2 4.27Å; L236-I272 HydrophobicContact CD2-CG2 3.81Å; L236-I272 HydrophobicContact CG-CG2 4.19Å; L236-M364 HydrophobicContact CD2-CB 4.04Å; L236-M366 HydrophobicContact CD1-CB 4.44Å; L236-M366 HydrophobicContact CD1-CG 4.43Å; L236-M366 HydrophobicContact CD2-CE 3.85Å; L236-M366 HydrophobicContact CD2-CG 3.79Å; L236-M366 HydrophobicContact CD2-SD 4.05Å; L236-M366 HydrophobicContact CG-CB 4.47Å; L236-M366 HydrophobicContact CG-CE 4.14Å; L236-M366 HydrophobicContact CG-CG 3.96Å; L236-M366 HydrophobicContact CG-SD 3.84Å |
| 237 | N | 92.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 62 Ų | 62 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -25.4 | 175.6 | -74.7 | -44 | 0 | 0 | 0 | 112.9 | I233 T247 I272 | I233-N237 WeakPolarHBondContact CG2-ND2 3.32Å; I233-N237 WeakPolarHBondContact O-CB 3.46Å; I233-N237 VanDerWaalsContact O-CG 3.31Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-N237 PolarHBondContact O-ND2 2.87Å; N237-T247 PolarHBondContact ND2-OG1 3.1Å; N237-T247 PolarHBondContact OD1-OG1 2.68Å; N237-T247 VanDerWaalsContact OD1-OG1 3.09Å; N237-I272 WeakPolarHBondContact OD1-CD1 3.38Å |
| 238 | R | 89.8 | Confident | 91 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -78.6 | -36.9 | 178.6 | -178.3 | 178.7 | -176.8 | 74 | 9.5 | 112.7 | N216 F218 L234 S235 L236 | N216-R238 PolarHBondContact ND2-NH2 2.93Å; F218-R238 PolarHBondContact O-NH1 3.4Å; F218-R238 PolarHBondContact O-NH2 2.82Å; L234-R238 WeakPolarHBondContact O-CB 3.48Å; L234-R238 PolarHBondContact O-N 3.14Å; S235-R238 WeakPolarHBondContact O-CB 3.48Å; S235-R238 PolarHBondContact O-N 3.5Å; S235-R238 VanDerWaalsContact O-N 3.13Å; L236-R238 PolarHBondContact O-N 2.79Å |
| 239 | I | 91.9 | Very high | 91.1 | Very high | 48 Ų | 48 | 61 Ų | 61 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -88.5 | -19.7 | -179.8 | 64.2 | 174.9 | 0 | 0 | 0 | 112.4 | S235 L236 N241 L298 Y307 M364 M366 | S235-I239 PolarHBondContact O-N 2.9Å; S235-I239 VanDerWaalsContact O-N 3.16Å; L236-I239 HydrophobicContact CD2-CD1 4.15Å; L236-I239 WeakPolarHBondContact O-CG1 3.24Å; L236-I239 PolarHBondContact O-N 3.22Å; I239-N241 PolarHBondContact O-N 3.41Å; I239-L298 HydrophobicContact CG2-CD1 3.77Å; I239-L298 HydrophobicContact CG2-CD2 3.76Å; I239-L298 HydrophobicContact CG2-CG 4.42Å; I239-Y307 HydrophobicContact CD1-CD1 4.32Å; I239-Y307 HydrophobicContact CD1-CD2 3.76Å; I239-Y307 HydrophobicContact CD1-CE2 4Å; I239-Y307 HydrophobicContact CD1-CG 3.94Å; I239-M364 HydrophobicContact CD1-CE 4.34Å; I239-M364 HydrophobicContact CD1-SD 3.67Å; I239-M364 HydrophobicContact CG1-CE 4.01Å; I239-M364 HydrophobicContact CG1-SD 3.94Å; I239-M366 HydrophobicContact CD1-CE 3.99Å |
| 240 | A | 89.5 | Confident | 90.9 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | trans | -64.1 | 123.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L236 D242 A245 I272 M364 | L236-A240 WeakPolarHBondContact O-CB 3.22Å; L236-A240 PolarHBondContact O-N 3.49Å; A240-D242 VanDerWaalsContact C-N 3.31Å; A240-A245 HydrophobicContact CB-CB 4.06Å; A240-I272 HydrophobicContact CB-CD1 3.67Å; A240-I272 HydrophobicContact CB-CG1 4.44Å; A240-M364 HydrophobicContact CB-CE 4.16Å | ||
| 241 | N | 79.6 | Confident | 90.6 | Very high | 155 Ų | 155 | 61.1 Ų | 61.1 | 83% | 0.829 | 32% | 0.315 | S | S | * | . | trans | -74.3 | -26.7 | 176.6 | -169.2 | 42.1 | 0 | 0 | 0 | 112 | I239 | I239-N241 PolarHBondContact O-N 3.41Š| ||
| 242 | D | 85.1 | Confident | 90.3 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | trans | -91.9 | 129.8 | -172.3 | -64.5 | -25.1 | 0 | 0 | 0 | 112.2 | A240 D244 A245 S274 | A240-D242 VanDerWaalsContact C-N 3.31Å; D242-D244 VanDerWaalsContact C-N 3.26Å; D242-D244 PolarHBondContact O-N 3.34Å; D242-A245 HydrophobicContact CB-CB 4.28Å; D242-A245 VanDerWaalsContact O-CB 3.29Å; D242-A245 WeakPolarHBondContact O-CB 3.44Å; D242-A245 PolarHBondContact O-N 3.38Å; D242-S274 WeakPolarHBondContact OD2-CB 3.21Å; D242-S274 PolarHBondContact OD2-OG 3.41Å | ||
| 243 | L | 83.4 | Confident | 89.9 | Confident | 179 Ų | 179 | 68.1 Ų | 68.1 | 94% | 0.937 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.7 | 176 | -65.8 | 174.8 | 0 | 0 | 0 | 113.2 | A245 | L243-A245 VanDerWaalsContact C-N 3.3Š|
| 244 | D | 90.3 | Very high | 89.3 | Confident | 119 Ų | 119 | 70.6 Ų | 70.6 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 3.4 | -179 | -63.6 | -30.9 | 0 | 0 | 0 | 112.7 | D242 K246 P275 | D242-D244 VanDerWaalsContact C-N 3.26Å; D242-D244 PolarHBondContact O-N 3.34Å; D244-K246 PolarHBondContact O-N 2.88Å; D244-P275 HydrophobicContact CB-CG 4.41Å; D244-P275 WeakPolarHBondContact O-CD 3.42Å |
| 245 | A | 91.9 | Very high | 88.8 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | trans | -61.8 | 130.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | A240 D242 L243 I272 | A240-A245 HydrophobicContact CB-CB 4.06Å; D242-A245 HydrophobicContact CB-CB 4.28Å; D242-A245 VanDerWaalsContact O-CB 3.29Å; D242-A245 WeakPolarHBondContact O-CB 3.44Å; D242-A245 PolarHBondContact O-N 3.38Å; L243-A245 VanDerWaalsContact C-N 3.3Å; A245-I272 HydrophobicContact CB-CD1 3.92Å; A245-I272 HydrophobicContact CB-CG1 3.86Å | ||
| 246 | K | 93.2 | Very high | 88.2 | Confident | 154 Ų | 154 | 77 Ų | 77 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.6 | 178.6 | -68.7 | -178.8 | -176.7 | 173 | 0 | 109.7 | D244 Q273 | D244-K246 PolarHBondContact O-N 2.88Å; K246-Q273 PolarHBondContact N-O 3.2Å; K246-Q273 PolarHBondContact O-N 3.39Å |
| 247 | T | 92.9 | Very high | 87.4 | Confident | 41 Ų | 41 | 82.2 Ų | 82.2 | 25% | 0.252 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131.7 | 172.3 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | I233 N237 V270 G271 | I233-T247 HydrophobicContact CB-CG2 4.33Å; I233-T247 HydrophobicContact CG1-CG2 3.84Å; I233-T247 HydrophobicContact CG2-CG2 4.21Å; N237-T247 PolarHBondContact ND2-OG1 3.1Å; N237-T247 PolarHBondContact OD1-OG1 2.68Å; N237-T247 VanDerWaalsContact OD1-OG1 3.09Å; T247-V270 HydrophobicContact CG2-CG1 3.42Å; T247-V270 VanDerWaalsContact CG2-CG1 3.42Å; T247-G271 CarbonylContact C-O 3.52Å; T247-G271 WeakPolarHBondContact CA-O 3.42Å; T247-G271 WeakPolarHBondContact CG2-O 3.4Å |
| 248 | T | 93.6 | Very high | 86.7 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.2 | 178.2 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | Y250 G271 | T248-Y250 WeakPolarHBondContact OG1-CE2 3.48Å; T248-Y250 VanDerWaalsContact OG1-CZ 3.28Å; T248-Y250 PolarHBondContact OG1-OH 3.05Å; T248-G271 PolarHBondContact N-O 3.25Å; T248-G271 PolarHBondContact O-N 2.99Å; T248-G271 PolarHBondContact OG1-O 3.43Å |
| 249 | V | 93.8 | Very high | 85.9 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 111.2 | 173.1 | -177 | 0 | 0 | 0 | 0 | 107.4 | V229 I233 L252 V270 | V229-V249 HydrophobicContact CG1-CG1 4.44Å; V229-V249 HydrophobicContact CG1-CG2 4.22Å; I233-V249 HydrophobicContact CD1-CG2 4.28Å; V249-L252 HydrophobicContact CG1-CD2 3.87Å; V249-L252 HydrophobicContact CG1-CG 4.24Å; V249-V270 HydrophobicContact CG2-CG1 4.48Å; V249-V270 HydrophobicContact CG2-CG2 4.4Å |
| 250 | Y | 88.1 | Confident | 85 | Confident | 60 Ų | 60 | 87.8 Ų | 87.8 | 24% | 0.235 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -34.2 | 179.2 | -66.5 | -75.8 | 0 | 0 | 0 | 111.6 | T248 I269 W378 G381 | T248-Y250 WeakPolarHBondContact OG1-CE2 3.48Å; T248-Y250 VanDerWaalsContact OG1-CZ 3.28Å; T248-Y250 PolarHBondContact OG1-OH 3.05Å; Y250-I269 HydrophobicContact CD2-CG2 4.11Å; Y250-I269 HydrophobicContact CG-CG2 4.46Å; Y250-I269 PolarHBondContact N-O 3.41Å; Y250-W378 AromaticContact CD2-CD1 3.76Å; Y250-W378 AromaticContact CE2-CD1 3.56Å; Y250-W378 AromaticContact CE2-NE1 3.86Å; Y250-G381 WeakPolarHBondContact CE1-O 3.32Å |
| 251 | Q | 87.3 | Confident | 84.3 | Confident | 34 Ų | 34 | 89.5 Ų | 89.5 | 16% | 0.159 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 130.3 | -178.4 | -172.5 | 167.5 | -59.3 | 0 | 0 | 110.5 | F254 P267 H268 I269 | Q251-F254 HydrophobicContact CG-CE1 4.4Å; Q251-P267 PolarHBondContact NE2-O 2.97Å; Q251-H268 WeakPolarHBondContact O-CA 3.43Å; Q251-I269 HydrophobicContact CB-CB 4Å; Q251-I269 HydrophobicContact CB-CD1 4.12Å; Q251-I269 HydrophobicContact CB-CG1 4.02Å; Q251-I269 PolarHBondContact N-O 2.99Å; Q251-I269 PolarHBondContact O-N 2.89Å |
| 252 | L | 86.8 | Confident | 84 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | trans | -85.9 | 150.4 | 167.9 | -70.4 | 173.3 | 0 | 0 | 0 | 109.5 | V229 V249 F254 | V229-L252 HydrophobicContact CG1-CD2 4.29Å; V229-L252 HydrophobicContact CG2-CD2 4.12Å; V249-L252 HydrophobicContact CG1-CD2 3.87Å; V249-L252 HydrophobicContact CG1-CG 4.24Å; L252-F254 WeakPolarHBondContact O-CD1 3.46Å; L252-F254 PolarHBondContact O-N 3.48Å | ||
| 253 | P | 84 | Confident | 83.7 | Confident | 62 Ų | 62 | 93.3 Ų | 93.3 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | trans | -65 | 127.8 | 175.9 | 28.1 | -31.6 | 0 | 0 | 0 | 109.4 | V229 H268 | V229-P253 HydrophobicContact CG2-CG 4.28Å; P253-H268 HydrophobicContact CB-CB 4.4Å; P253-H268 HydrophobicContact CG-CB 4.41Å | ||
| 254 | F | 82.8 | Confident | 83.4 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 43% | 0.425 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 149.8 | 174.6 | 74.1 | -87.5 | 0 | 0 | 0 | 110.7 | Q251 L252 D256 F266 | Q251-F254 HydrophobicContact CG-CE1 4.4Å; L252-F254 WeakPolarHBondContact O-CD1 3.46Å; L252-F254 PolarHBondContact O-N 3.48Å; F254-D256 HydrophobicContact CD2-CB 4.44Å; F254-D256 HydrophobicContact CE2-CB 4.13Å; F254-F266 HydrophobicContact CD1-CB 3.86Å; F254-F266 HydrophobicContact CD1-CG 4.39Å; F254-F266 AromaticContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CG 4.49Å; F254-F266 HydrophobicContact CE1-CB 3.59Å; F254-F266 HydrophobicContact CE1-CD1 4.42Å; F254-F266 HydrophobicContact CE1-CD2 4.02Å; F254-F266 AromaticContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE2-CB 4.33Å; F254-F266 AromaticContact CE2-CD2 3.26Å; F254-F266 HydrophobicContact CE2-CD2 3.26Å; F254-F266 AromaticContact CE2-CE2 3.66Å; F254-F266 HydrophobicContact CE2-CE2 3.66Å; F254-F266 AromaticContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CG-CB 4.32Å; F254-F266 HydrophobicContact CG-CD2 4.46Å; F254-F266 HydrophobicContact CZ-CB 3.85Å; F254-F266 HydrophobicContact CZ-CD1 4.07Å; F254-F266 AromaticContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CE1 4.49Å; F254-F266 AromaticContact CZ-CE2 3.84Å; F254-F266 HydrophobicContact CZ-CE2 3.84Å; F254-F266 AromaticContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CG 3.47Å; F254-F266 VanDerWaalsContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CZ 4.38Å; F254-F266 WeakPolarHBondContact O-CB 3.48Å; F254-F266 PolarHBondContact O-N 2.86Å |
| 255 | T | 82.3 | Confident | 82.9 | Confident | 97 Ų | 97 | 86.6 Ų | 86.6 | 60% | 0.595 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.7 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 108.7 | I264 | T255-I264 WeakPolarHBondContact CA-O 3.33Å |
| 256 | D | 79.1 | Confident | 82.3 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 144.9 | 172.4 | -156 | -3 | 0 | 0 | 0 | 110 | F254 I264 F266 | F254-D256 HydrophobicContact CD2-CB 4.44Å; F254-D256 HydrophobicContact CE2-CB 4.13Å; D256-I264 PolarHBondContact N-O 2.8Å; D256-I264 PolarHBondContact O-N 3.31Å; D256-F266 HydrophobicContact CB-CD2 4.31Å; D256-F266 HydrophobicContact CB-CE2 3.76Å |
| 257 | I | 79.1 | Confident | 82 | Confident | 110 Ų | 110 | 81.8 Ų | 81.8 | 56% | 0.564 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113.9 | 178.6 | -56.1 | 169.7 | 0 | 0 | 0 | 106.3 | E263 | I257-E263 HydrophobicContact CG1-CG 4.38Å |
| 258 | T | 76.6 | Confident | 81.9 | Confident | 37 Ų | 37 | 80.6 Ų | 80.6 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | trans | -65.1 | 161.4 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | S260 G261 E262 I264 | T258-S260 PolarHBondContact O-N 3.49Å; T258-S260 PolarHBondContact OG1-OG 2.98Å; T258-G261 PolarHBondContact O-N 3.37Å; T258-E262 PolarHBondContact N-O 2.85Å; T258-E262 WeakPolarHBondContact OG1-CB 3.32Å; T258-E262 PolarHBondContact OG1-N 3.19Å; T258-E262 PolarHBondContact OG1-O 3.37Å; T258-E262 VanDerWaalsContact OG1-O 3.04Å; T258-I264 HydrophobicContact CG2-CD1 3.29Å; T258-I264 HydrophobicContact CG2-CG1 3.79Å | ||
| 259 | E | 72.4 | Confident | 82 | Confident | 213 Ų | 213 | 78.8 Ų | 78.8 | 100% | 0.995 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.4 | 175.1 | -60.7 | -177.6 | 170 | 0 | 0 | 112.9 | ||
| 260 | S | 72.4 | Confident | 82.1 | Confident | 92 Ų | 92 | 75.6 Ų | 75.6 | 64% | 0.643 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.1 | 173.1 | 42.2 | 0 | 0 | 0 | 0 | 114.5 | T258 | T258-S260 PolarHBondContact O-N 3.49Å; T258-S260 PolarHBondContact OG1-OG 2.98Å |
| 261 | G | 75.2 | Confident | 82.4 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 81.6 | 14.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T258 | T258-G261 PolarHBondContact O-N 3.37Š|
| 262 | E | 74.2 | Confident | 82.8 | Confident | 132 Ų | 132 | 71.2 Ų | 71.2 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | trans | -91.5 | 131.5 | 176.1 | -61.5 | 177.9 | 166.4 | 0 | 0 | 110.2 | T258 I264 | T258-E262 PolarHBondContact N-O 2.85Å; T258-E262 WeakPolarHBondContact OG1-CB 3.32Å; T258-E262 PolarHBondContact OG1-N 3.19Å; T258-E262 PolarHBondContact OG1-O 3.37Å; T258-E262 VanDerWaalsContact OG1-O 3.04Å; E262-I264 PolarHBondContact O-N 3.03Å | ||
| 263 | E | 77.7 | Confident | 83.2 | Confident | 157 Ų | 157 | 66.6 Ų | 66.6 | 73% | 0.734 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 111 | 177.4 | -66.1 | -179.4 | -178.8 | 0 | 0 | 110.1 | I257 | I257-E263 HydrophobicContact CG1-CG 4.38Å |
| 264 | I | 77.7 | Confident | 83.7 | Confident | 77 Ų | 77 | 63.7 Ų | 63.7 | 40% | 0.395 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.6 | 173.3 | -61 | 180 | 0 | 0 | 0 | 108.4 | T255 D256 T258 E262 F266 | T255-I264 WeakPolarHBondContact CA-O 3.33Å; D256-I264 PolarHBondContact N-O 2.8Å; D256-I264 PolarHBondContact O-N 3.31Å; T258-I264 HydrophobicContact CG2-CD1 3.29Å; T258-I264 HydrophobicContact CG2-CG1 3.79Å; E262-I264 PolarHBondContact O-N 3.03Å; I264-F266 HydrophobicContact CB-CE2 4.34Å; I264-F266 HydrophobicContact CG2-CD2 4.27Å; I264-F266 HydrophobicContact CG2-CE2 3.87Å; I264-F266 HydrophobicContact CG2-CZ 4.07Å |
| 265 | S | 79 | Confident | 84.2 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.9 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 266 | F | 81.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.1 | 174.4 | -73.5 | -89 | 0 | 0 | 0 | 110.6 | F254 D256 I264 | F254-F266 HydrophobicContact CD1-CB 3.86Å; F254-F266 HydrophobicContact CD1-CG 4.39Å; F254-F266 AromaticContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CD2 3.86Å; F254-F266 HydrophobicContact CD2-CG 4.49Å; F254-F266 HydrophobicContact CE1-CB 3.59Å; F254-F266 HydrophobicContact CE1-CD1 4.42Å; F254-F266 HydrophobicContact CE1-CD2 4.02Å; F254-F266 AromaticContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE1-CG 3.76Å; F254-F266 HydrophobicContact CE2-CB 4.33Å; F254-F266 AromaticContact CE2-CD2 3.26Å; F254-F266 HydrophobicContact CE2-CD2 3.26Å; F254-F266 AromaticContact CE2-CE2 3.66Å; F254-F266 HydrophobicContact CE2-CE2 3.66Å; F254-F266 AromaticContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CE2-CG 3.89Å; F254-F266 HydrophobicContact CG-CB 4.32Å; F254-F266 HydrophobicContact CG-CD2 4.46Å; F254-F266 HydrophobicContact CZ-CB 3.85Å; F254-F266 HydrophobicContact CZ-CD1 4.07Å; F254-F266 AromaticContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CD2 3.35Å; F254-F266 HydrophobicContact CZ-CE1 4.49Å; F254-F266 AromaticContact CZ-CE2 3.84Å; F254-F266 HydrophobicContact CZ-CE2 3.84Å; F254-F266 AromaticContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CG 3.47Å; F254-F266 VanDerWaalsContact CZ-CG 3.47Å; F254-F266 HydrophobicContact CZ-CZ 4.38Å; F254-F266 WeakPolarHBondContact O-CB 3.48Å; F254-F266 PolarHBondContact O-N 2.86Å; D256-F266 HydrophobicContact CB-CD2 4.31Å; D256-F266 HydrophobicContact CB-CE2 3.76Å; I264-F266 HydrophobicContact CB-CE2 4.34Å; I264-F266 HydrophobicContact CG2-CD2 4.27Å; I264-F266 HydrophobicContact CG2-CE2 3.87Å; I264-F266 HydrophobicContact CG2-CZ 4.07Å |
| 267 | P | 87.1 | Confident | 85.2 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -70 | 158.2 | -176.5 | 29.4 | -36.1 | 0 | 0 | 0 | 112 | Q251 S368 Q369 T374 | Q251-P267 PolarHBondContact NE2-O 2.97Å; P267-S368 WeakPolarHBondContact CA-OG 3.4Å; P267-S368 WeakPolarHBondContact CB-OG 3.48Å; P267-Q369 HydrophobicContact CB-CB 3.99Å; P267-Q369 HydrophobicContact CG-CB 4.32Å; P267-T374 HydrophobicContact CB-CG2 4.26Å; P267-T374 HydrophobicContact CG-CG2 3.49Å; P267-T374 VanDerWaalsContact CG-CG2 3.49Å |
| 268 | H | 90.9 | Very high | 85.9 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 147.2 | 167.2 | 67.3 | -85.1 | 0 | 0 | 0 | 110.1 | V229 Q251 P253 T367 S368 | V229-H268 HydrophobicContact CG2-CB 3.99Å; Q251-H268 WeakPolarHBondContact O-CA 3.43Å; P253-H268 HydrophobicContact CB-CB 4.4Å; P253-H268 HydrophobicContact CG-CB 4.41Å; H268-T367 VanDerWaalsContact O-CA 3.24Å; H268-T367 WeakPolarHBondContact O-CA 3.49Å; H268-T367 WeakPolarHBondContact O-CB 3.47Å; H268-S368 VanDerWaalsContact CE1-CB 3.44Å; H268-S368 WeakPolarHBondContact CE1-CB 3.38Å; H268-S368 PolarHBondContact CE1-N 3.09Å; H268-S368 PolarHBondContact N-OG 3.25Å; H268-S368 WeakPolarHBondContact ND1-CB 3.4Å; H268-S368 PolarHBondContact ND1-OG 3.46Å |
| 269 | I | 94.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 112.3 | 175.9 | -54.8 | 175.3 | 0 | 0 | 0 | 108.5 | Y250 Q251 T367 T374 Q377 W378 | Y250-I269 HydrophobicContact CD2-CG2 4.11Å; Y250-I269 HydrophobicContact CG-CG2 4.46Å; Y250-I269 PolarHBondContact N-O 3.41Å; Q251-I269 HydrophobicContact CB-CB 4Å; Q251-I269 HydrophobicContact CB-CD1 4.12Å; Q251-I269 HydrophobicContact CB-CG1 4.02Å; Q251-I269 PolarHBondContact N-O 2.99Å; Q251-I269 PolarHBondContact O-N 2.89Å; I269-T367 HydrophobicContact CB-CG2 4.37Å; I269-T367 HydrophobicContact CG1-CG2 4.08Å; I269-T367 HydrophobicContact CG2-CG2 4.2Å; I269-T374 HydrophobicContact CD1-CG2 3.65Å; I269-T374 HydrophobicContact CG1-CG2 3.72Å; I269-Q377 HydrophobicContact CD1-CB 3.9Å; I269-W378 HydrophobicContact CG2-CB 3.75Å; I269-W378 HydrophobicContact CG2-CG 4.25Å |
| 270 | V | 95.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.7 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | V229 A232 I233 L236 T247 V249 C365 M366 | V229-V270 HydrophobicContact CG1-CG2 4.03Å; A232-V270 HydrophobicContact CB-CB 4.11Å; A232-V270 HydrophobicContact CB-CG2 4.01Å; I233-V270 HydrophobicContact CG1-CG1 3.93Å; L236-V270 HydrophobicContact CD1-CB 4.13Å; L236-V270 HydrophobicContact CD1-CG1 3.72Å; T247-V270 HydrophobicContact CG2-CG1 3.42Å; T247-V270 VanDerWaalsContact CG2-CG1 3.42Å; V249-V270 HydrophobicContact CG2-CG1 4.48Å; V249-V270 HydrophobicContact CG2-CG2 4.4Å; V270-C365 CarbonylContact O-C 3.58Å; V270-C365 VanDerWaalsContact O-CA 3.26Å; V270-C365 WeakPolarHBondContact O-CA 3.47Å; V270-C365 PolarHBondContact O-SG 2.98Å; V270-M366 PolarHBondContact N-O 3.3Å; V270-M366 PolarHBondContact O-N 3.48Å |
| 271 | G | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 160.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T247 T248 M364 | T247-G271 CarbonylContact C-O 3.52Å; T247-G271 WeakPolarHBondContact CA-O 3.42Å; T247-G271 WeakPolarHBondContact CG2-O 3.4Å; T248-G271 PolarHBondContact N-O 3.25Å; T248-G271 PolarHBondContact O-N 2.99Å; T248-G271 PolarHBondContact OG1-O 3.43Å; G271-M364 CarbonylContact C-O 3.59Å; G271-M364 VanDerWaalsContact CA-O 3.3Å; G271-M364 WeakPolarHBondContact CA-O 3.19Å |
| 272 | I | 96.1 | Very high | 89 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.2 | 171.3 | -169.4 | 161.5 | 0 | 0 | 0 | 109.4 | L236 N237 A240 A245 M364 | L236-I272 HydrophobicContact CB-CB 4.07Å; L236-I272 HydrophobicContact CB-CD1 4.16Å; L236-I272 HydrophobicContact CB-CG2 3.88Å; L236-I272 HydrophobicContact CD1-CB 4.27Å; L236-I272 HydrophobicContact CD1-CG2 4.27Å; L236-I272 HydrophobicContact CD2-CG2 3.81Å; L236-I272 HydrophobicContact CG-CG2 4.19Å; N237-I272 WeakPolarHBondContact OD1-CD1 3.38Å; A240-I272 HydrophobicContact CB-CD1 3.67Å; A240-I272 HydrophobicContact CB-CG1 4.44Å; A245-I272 HydrophobicContact CB-CD1 3.92Å; A245-I272 HydrophobicContact CB-CG1 3.86Å; I272-M364 HydrophobicContact CG2-CB 3.82Å; I272-M364 HydrophobicContact CG2-CE 3.89Å; I272-M364 PolarHBondContact N-O 3.46Å; I272-M364 PolarHBondContact O-N 2.91Å; I272-M364 VanDerWaalsContact O-N 3.17Å |
| 273 | Q | 94.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 138.4 | 177.8 | -168.3 | 174 | 39.5 | 0 | 0 | 110.5 | K246 Q277 M278 F362 A363 N386 | K246-Q273 PolarHBondContact N-O 3.2Å; K246-Q273 PolarHBondContact O-N 3.39Å; Q273-Q277 HydrophobicContact CG-CB 4Å; Q273-M278 HydrophobicContact CG-CG 3.81Å; Q273-M278 VanDerWaalsContact OE1-CG 3.3Å; Q273-F362 WeakPolarHBondContact CG-O 3.42Å; Q273-F362 PolarHBondContact NE2-O 3.44Å; Q273-F362 VanDerWaalsContact NE2-O 3.09Å; Q273-A363 HydrophobicContact CG-CB 4.5Å; Q273-N386 PolarHBondContact NE2-ND2 3Å; Q273-N386 VanDerWaalsContact NE2-ND2 3.15Å; Q273-N386 PolarHBondContact OE1-ND2 2.86Å |
| 274 | S | 94.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | trans | -93.1 | 156.9 | 172.4 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | D242 N276 Q277 M278 | D242-S274 WeakPolarHBondContact OD2-CB 3.21Å; D242-S274 PolarHBondContact OD2-OG 3.41Å; S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.4Å; S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 2.93Å; S274-Q277 VanDerWaalsContact O-N 3.13Å; S274-Q277 VanDerWaalsContact OG-CG 3.27Å; S274-Q277 WeakPolarHBondContact OG-CG 3.16Å; S274-Q277 PolarHBondContact OG-N 3.05Å; S274-M278 PolarHBondContact O-N 3.07Å | ||
| 275 | P | 93.1 | Very high | 90.8 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.8 | -40.7 | 175 | -24.7 | 34.5 | 0 | 0 | 0 | 112.5 | D244 Q277 M278 E279 | D244-P275 HydrophobicContact CB-CG 4.41Å; D244-P275 WeakPolarHBondContact O-CD 3.42Å; P275-Q277 VanDerWaalsContact C-N 3.31Å; P275-Q277 PolarHBondContact O-N 3.07Å; P275-M278 WeakPolarHBondContact O-CB 3.42Å; P275-M278 PolarHBondContact O-N 3.32Å; P275-M278 VanDerWaalsContact O-N 3.12Å; P275-E279 WeakPolarHBondContact O-CG 3.12Å; P275-E279 PolarHBondContact O-N 2.82Å |
| 276 | N | 90.9 | Very high | 91.2 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.5 | -64.9 | -11.1 | 0 | 0 | 0 | 111.3 | S274 M278 E279 L280 | S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.4Å; N276-M278 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.38Å; N276-E279 PolarHBondContact O-N 3.21Å; N276-L280 WeakPolarHBondContact O-CB 3.26Å; N276-L280 VanDerWaalsContact O-CG 3.28Å; N276-L280 WeakPolarHBondContact O-CG 3.46Å; N276-L280 PolarHBondContact O-N 3.24Å |
| 277 | Q | 92.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | 175.3 | -73.8 | 176.5 | -38.3 | 0 | 0 | 112.9 | Q273 S274 P275 L281 V361 F362 | Q273-Q277 HydrophobicContact CG-CB 4Å; S274-Q277 WeakPolarHBondContact O-CB 3.47Å; S274-Q277 PolarHBondContact O-N 2.93Å; S274-Q277 VanDerWaalsContact O-N 3.13Å; S274-Q277 VanDerWaalsContact OG-CG 3.27Å; S274-Q277 WeakPolarHBondContact OG-CG 3.16Å; S274-Q277 PolarHBondContact OG-N 3.05Å; P275-Q277 VanDerWaalsContact C-N 3.31Å; P275-Q277 PolarHBondContact O-N 3.07Å; Q277-L281 WeakPolarHBondContact O-CB 3.4Å; Q277-L281 PolarHBondContact O-N 3.21Å; Q277-V361 PolarHBondContact NE2-O 3.26Å; Q277-V361 VanDerWaalsContact NE2-O 3.08Å; Q277-F362 VanDerWaalsContact CB-O 3.31Å; Q277-F362 WeakPolarHBondContact CB-O 3.32Å |
| 278 | M | 91.9 | Very high | 91.6 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 30% | 0.3 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.4 | -65.8 | 178.5 | 61.4 | 0 | 0 | 111.4 | Q273 S274 P275 N276 L281 A282 N385 | Q273-M278 HydrophobicContact CG-CG 3.81Å; Q273-M278 VanDerWaalsContact OE1-CG 3.3Å; S274-M278 PolarHBondContact O-N 3.07Å; P275-M278 WeakPolarHBondContact O-CB 3.42Å; P275-M278 PolarHBondContact O-N 3.32Å; P275-M278 VanDerWaalsContact O-N 3.12Å; N276-M278 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.38Å; M278-L281 PolarHBondContact O-N 2.88Å; M278-A282 WeakPolarHBondContact O-CB 3.39Å; M278-A282 PolarHBondContact O-N 2.89Å; M278-N385 HydrophobicContact CE-CB 3.88Å |
| 279 | E | 91.4 | Very high | 91.7 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 54% | 0.542 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177 | -70.1 | 179.3 | -169.4 | 0 | 0 | 111.9 | P275 N276 L281 A282 K283 | P275-E279 WeakPolarHBondContact O-CG 3.12Å; P275-E279 PolarHBondContact O-N 2.82Å; N276-E279 PolarHBondContact O-N 3.21Å; E279-L281 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 3.39Å; E279-A282 PolarHBondContact O-N 3.45Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 3.4Å |
| 280 | L | 89.7 | Confident | 91.7 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.5 | -74.4 | 172.8 | 0 | 0 | 0 | 111.4 | N276 A282 K283 H284 F362 | N276-L280 WeakPolarHBondContact O-CB 3.26Å; N276-L280 VanDerWaalsContact O-CG 3.28Å; N276-L280 WeakPolarHBondContact O-CG 3.46Å; N276-L280 PolarHBondContact O-N 3.24Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 3.14Å; L280-K283 PolarHBondContact O-N 2.66Å; L280-H284 PolarHBondContact O-N 2.61Å; L280-H284 VanDerWaalsContact O-N 3.15Å; L280-F362 HydrophobicContact CB-CD1 4.28Å; L280-F362 HydrophobicContact CB-CE1 4.14Å |
| 281 | L | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 176.9 | -174.9 | 60.1 | 0 | 0 | 0 | 111.5 | Q277 M278 E279 K283 H284 F362 N386 I388 L389 I392 | Q277-L281 WeakPolarHBondContact O-CB 3.4Å; Q277-L281 PolarHBondContact O-N 3.21Å; M278-L281 PolarHBondContact O-N 2.88Å; E279-L281 VanDerWaalsContact C-N 3.33Å; E279-L281 PolarHBondContact O-N 3.39Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 3.36Å; L281-H284 VanDerWaalsContact O-CB 3.25Å; L281-H284 WeakPolarHBondContact O-CB 3.29Å; L281-H284 PolarHBondContact O-N 3.02Å; L281-F362 HydrophobicContact CB-CB 4.39Å; L281-F362 HydrophobicContact CB-CD1 3.72Å; L281-F362 HydrophobicContact CB-CE1 4.18Å; L281-F362 HydrophobicContact CB-CG 4.15Å; L281-F362 HydrophobicContact CD1-CB 4.27Å; L281-F362 HydrophobicContact CD1-CD1 3.99Å; L281-F362 HydrophobicContact CD1-CD2 3.78Å; L281-F362 HydrophobicContact CD1-CE1 4.2Å; L281-F362 HydrophobicContact CD1-CE2 3.96Å; L281-F362 HydrophobicContact CD1-CG 3.77Å; L281-F362 HydrophobicContact CD1-CZ 4.18Å; L281-F362 HydrophobicContact CD2-CB 4.4Å; L281-F362 HydrophobicContact CG-CD1 4.41Å; L281-F362 HydrophobicContact CG-CG 4.42Å; L281-N386 HydrophobicContact CD2-CB 3.71Å; L281-I388 HydrophobicContact CD1-CG2 4.43Å; L281-I388 HydrophobicContact CG-CG2 3.92Å; L281-I388 WeakPolarHBondContact O-CG2 3.42Å; L281-L389 HydrophobicContact CD1-CD2 3.99Å; L281-L389 HydrophobicContact CD2-CD1 4.04Å; L281-L389 HydrophobicContact CD2-CD2 3.98Å; L281-L389 HydrophobicContact CD2-CG 3.94Å; L281-L389 HydrophobicContact CG-CD2 4.44Å; L281-I392 HydrophobicContact CD1-CD1 4.37Å |
| 282 | A | 90.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.2 | -30.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M278 E279 L280 I388 | M278-A282 WeakPolarHBondContact O-CB 3.39Å; M278-A282 PolarHBondContact O-N 2.89Å; E279-A282 PolarHBondContact O-N 3.45Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 3.14Å; A282-I388 WeakPolarHBondContact O-CD1 3.48Å |
| 283 | K | 89.4 | Confident | 91.4 | Very high | 145 Ų | 145 | 50.1 Ų | 50.1 | 63% | 0.63 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -81.3 | -13.5 | 173.6 | -68.4 | 177.5 | -178 | -178.2 | 0 | 113.1 | E279 L280 L281 | E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 3.4Å; L280-K283 PolarHBondContact O-N 2.66Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 3.36Å |
| 284 | H | 89.4 | Confident | 91.1 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -63.9 | 140.7 | -175.2 | -173.5 | 68.2 | 0 | 0 | 0 | 112.4 | L280 L281 P286 R288 F362 I388 | L280-H284 PolarHBondContact O-N 2.61Å; L280-H284 VanDerWaalsContact O-N 3.15Å; L281-H284 VanDerWaalsContact O-CB 3.25Å; L281-H284 WeakPolarHBondContact O-CB 3.29Å; L281-H284 PolarHBondContact O-N 3.02Å; H284-P286 VanDerWaalsContact O-CD 3.3Å; H284-P286 WeakPolarHBondContact O-CD 3.23Å; H284-R288 PolarHBondContact NE2-O 2.95Å; H284-R288 VanDerWaalsContact NE2-O 3.12Å; H284-F362 HydrophobicContact CB-CZ 4.11Å; H284-F362 AromaticContact CG-CZ 3.91Å; H284-F362 AromaticContact ND1-CZ 3.75Å; H284-I388 WeakPolarHBondContact O-CD1 3.23Å |
| 285 | N | 87.7 | Confident | 91 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | trans | -69.9 | 119.5 | -179.5 | -173.4 | -20 | 0 | 0 | 0 | 110.9 | N287 R288 | N285-N287 PolarHBondContact O-N 3.11Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 3.27Å; N285-N287 VanDerWaalsContact OD1-N 3.08Å; N285-R288 PolarHBondContact O-N 3.46Å | ||
| 286 | P | 88.1 | Confident | 91 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.2 | -179 | -26.1 | 35.7 | 0 | 0 | 0 | 115.4 | H284 R288 I388 R391 I392 | H284-P286 VanDerWaalsContact O-CD 3.3Å; H284-P286 WeakPolarHBondContact O-CD 3.23Å; P286-R288 PolarHBondContact O-N 3.43Å; P286-I388 HydrophobicContact CG-CD1 4.4Å; P286-I388 HydrophobicContact CG-CG1 4.5Å; P286-R391 HydrophobicContact CB-CB 4.44Å; P286-I392 HydrophobicContact CB-CG1 4.47Å |
| 287 | N | 88 | Confident | 91 | Very high | 141 Ų | 141 | 51 Ų | 51 | 75% | 0.754 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.1 | -179 | -63.8 | -34.6 | 0 | 0 | 0 | 113 | N285 | N285-N287 PolarHBondContact O-N 3.11Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 3.27Å; N285-N287 VanDerWaalsContact OD1-N 3.08Å |
| 288 | R | 88.9 | Confident | 91 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -103.9 | 129.5 | 179.2 | -70.4 | -163.7 | -176.3 | 134.4 | 15.6 | 111.2 | H284 N285 P286 P316 E319 I392 | H284-R288 PolarHBondContact NE2-O 2.95Å; H284-R288 VanDerWaalsContact NE2-O 3.12Å; N285-R288 PolarHBondContact O-N 3.46Å; P286-R288 PolarHBondContact O-N 3.43Å; R288-P316 VanDerWaalsContact NH2-CG 3.28Å; R288-E319 IonicContact CZ-OE1 2.69Å; R288-E319 IonicContact CZ-OE2 3.86Å; R288-E319 IonicContact NH1-OE2 2.85Å; R288-E319 PolarHBondContact NH1-OE2 3.22Å; R288-E319 IonicContact NH2-OE1 3.09Å; R288-E319 PolarHBondContact NH2-OE1 3.3Å; R288-E319 IonicContact NH2-OE2 3.82Å; R288-E319 PolarHBondContact NH2-OE2 3.5Å; R288-I392 WeakPolarHBondContact O-CG2 3.43Å |
| 289 | P | 92 | Very high | 91 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | trans | -65.6 | 155.5 | -179.9 | 28.4 | -34.5 | 0 | 0 | 0 | 112.1 | F291 P393 L395 | P289-F291 HydrophobicContact CB-CZ 4.27Å; P289-F291 HydrophobicContact CG-CE1 4.34Å; P289-F291 HydrophobicContact CG-CE2 4.27Å; P289-F291 HydrophobicContact CG-CZ 3.71Å; P289-P393 CarbonylContact C-O 3.52Å; P289-P393 WeakPolarHBondContact CA-O 3.43Å; P289-P393 HydrophobicContact CB-CB 4.39Å; P289-P393 HydrophobicContact CB-CG 3.99Å; P289-P393 VanDerWaalsContact CB-O 3.29Å; P289-P393 WeakPolarHBondContact CB-O 2.95Å; P289-L395 HydrophobicContact CB-CD1 3.75Å; P289-L395 HydrophobicContact CB-CG 4.1Å; P289-L395 HydrophobicContact CG-CD1 4.04Å | ||
| 290 | V | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.8 | 165.1 | -166.3 | 0 | 0 | 0 | 0 | 108.6 | L310 R311 F362 I392 P393 T394 L395 | V290-L310 HydrophobicContact CB-CD1 4.07Å; V290-L310 HydrophobicContact CG1-CD1 3.31Å; V290-L310 HydrophobicContact CG1-CD2 4.31Å; V290-L310 HydrophobicContact CG1-CG 3.5Å; V290-R311 WeakPolarHBondContact CG1-O 3.39Å; V290-F362 HydrophobicContact CG1-CD2 3.78Å; V290-F362 HydrophobicContact CG1-CE2 3.96Å; V290-F362 HydrophobicContact CG2-CE2 4.14Å; V290-I392 HydrophobicContact CB-CG2 4.43Å; V290-I392 HydrophobicContact CG2-CD1 4.38Å; V290-I392 HydrophobicContact CG2-CG2 3.59Å; V290-P393 PolarHBondContact N-O 3.37Å; V290-T394 WeakPolarHBondContact O-CA 3.43Å; V290-L395 PolarHBondContact O-N 2.95Å |
| 291 | F | 93.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.044 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 134.3 | -177.6 | -54.7 | -79.7 | 0 | 0 | 0 | 110.8 | P289 E293 L310 R311 D313 L395 R397 | P289-F291 HydrophobicContact CB-CZ 4.27Å; P289-F291 HydrophobicContact CG-CE1 4.34Å; P289-F291 HydrophobicContact CG-CE2 4.27Å; P289-F291 HydrophobicContact CG-CZ 3.71Å; F291-E293 HydrophobicContact CB-CG 4.08Å; F291-L310 CarbonylContact O-C 3.25Å; F291-L310 WeakPolarHBondContact O-CA 3.32Å; F291-R311 WeakPolarHBondContact CA-O 3.32Å; F291-R311 PolarHBondContact N-O 3.16Å; F291-R311 PolarHBondContact O-N 3.5Å; F291-D313 WeakPolarHBondContact CE2-OD1 3.17Å; F291-D313 WeakPolarHBondContact CE2-OD2 3.5Å; F291-L395 CarbonylContact C-O 3.55Å; F291-L395 VanDerWaalsContact CA-O 3.26Å; F291-L395 WeakPolarHBondContact CA-O 3.48Å; F291-L395 HydrophobicContact CD1-CB 3.7Å; F291-L395 HydrophobicContact CD1-CD1 4.26Å; F291-L395 HydrophobicContact CE1-CB 3.9Å; F291-L395 HydrophobicContact CE1-CD1 3.55Å; F291-L395 HydrophobicContact CE1-CG 4.31Å; F291-L395 HydrophobicContact CZ-CD1 4.31Å; F291-R397 HydrophobicContact CD1-CG 4.05Å; F291-R397 VanDerWaalsContact CE1-CZ 3.45Å |
| 292 | V | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 111.3 | 163.8 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | I309 L310 L375 W378 I379 L395 F396 R397 | V292-I309 CarbonylContact C-O 3.59Å; V292-I309 WeakPolarHBondContact CA-O 3.47Å; V292-L310 HydrophobicContact CG2-CD1 3.8Å; V292-L375 HydrophobicContact CG1-CB 4.48Å; V292-L375 HydrophobicContact CG1-CD1 3.97Å; V292-W378 HydrophobicContact CG1-CZ3 4.09Å; V292-W378 HydrophobicContact CG2-CZ3 4.32Å; V292-I379 HydrophobicContact CG2-CD1 3.89Å; V292-I379 HydrophobicContact CG2-CG1 4.19Å; V292-L395 PolarHBondContact N-O 3.08Å; V292-F396 HydrophobicContact CB-CD1 3.72Å; V292-F396 HydrophobicContact CB-CE1 3.93Å; V292-F396 HydrophobicContact CG1-CD1 4.07Å; V292-F396 HydrophobicContact CG1-CE1 4.2Å; V292-F396 HydrophobicContact CG2-CD1 4.12Å; V292-F396 HydrophobicContact CG2-CE1 3.83Å; V292-R397 CarbonylContact O-C 3.47Å; V292-R397 PolarHBondContact O-N 3.2Å |
| 293 | E | 92.3 | Very high | 90.2 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.2 | -176.1 | -66.8 | -177 | 169 | 0 | 0 | 110.8 | F291 F296 Y308 I309 R397 | F291-E293 HydrophobicContact CB-CG 4.08Å; E293-F296 HydrophobicContact CB-CE2 3.95Å; E293-F296 HydrophobicContact CB-CZ 4.07Å; E293-Y308 CarbonylContact O-C 3.6Å; E293-Y308 WeakPolarHBondContact O-CA 3.4Å; E293-I309 PolarHBondContact N-O 2.65Å; E293-I309 PolarHBondContact O-N 2.82Å; E293-R397 HydrophobicContact CG-CB 4.04Å; E293-R397 WeakPolarHBondContact OE1-CD 3.32Å; E293-R397 IonicContact OE1-CZ 2.79Å; E293-R397 IonicContact OE1-NH1 2.94Å; E293-R397 PolarHBondContact OE1-NH1 2.91Å |
| 294 | G | 89.2 | Confident | 90.2 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -175.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L398 D399 | G294-L398 WeakPolarHBondContact O-CA 3.2Å; G294-D399 PolarHBondContact O-N 3.29Å |
| 295 | P | 92.7 | Very high | 90.3 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -78.2 | 133.9 | 1.7 | 28.8 | -31.7 | 0 | 0 | 0 | 113.4 | Y306 Y308 D399 | P295-Y306 HydrophobicContact CB-CD1 3.98Å; P295-Y306 HydrophobicContact CB-CG 4.17Å; P295-Y308 HydrophobicContact CB-CE1 3.89Å; P295-D399 VanDerWaalsContact CD-O 3.26Å; P295-D399 WeakPolarHBondContact CD-O 3.13Å |
| 296 | F | 92 | Very high | 90.6 | Very high | 64 Ų | 64 | 51 Ų | 51 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.2 | 172.5 | -63.3 | -71.1 | 0 | 0 | 0 | 111.2 | E293 Y306 Y307 I309 | E293-F296 HydrophobicContact CB-CE2 3.95Å; E293-F296 HydrophobicContact CB-CZ 4.07Å; F296-Y306 VanDerWaalsContact O-CA 3.32Å; F296-Y306 WeakPolarHBondContact O-CA 3.43Å; F296-Y307 HydrophobicContact CB-CD1 3.81Å; F296-Y307 HydrophobicContact CB-CD2 4.4Å; F296-Y307 HydrophobicContact CB-CE1 3.35Å; F296-Y307 HydrophobicContact CB-CE2 4.02Å; F296-Y307 HydrophobicContact CB-CG 4.29Å; F296-Y307 VanDerWaalsContact CB-CZ 3.45Å; F296-Y307 HydrophobicContact CD2-CE2 4.15Å; F296-Y307 HydrophobicContact CG-CE1 4.46Å; F296-Y307 HydrophobicContact CG-CE2 4.4Å; F296-Y307 PolarHBondContact N-O 3.18Å; F296-Y307 WeakPolarHBondContact O-CD1 3.3Å; F296-Y307 PolarHBondContact O-N 3.33Å; F296-I309 HydrophobicContact CD2-CD1 3.71Å; F296-I309 HydrophobicContact CD2-CG1 3.84Å; F296-I309 HydrophobicContact CE2-CB 4.31Å; F296-I309 HydrophobicContact CE2-CD1 3.58Å; F296-I309 HydrophobicContact CE2-CG1 3.83Å; F296-I309 HydrophobicContact CZ-CD1 4.4Å |
| 297 | P | 92.8 | Very high | 90.9 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.3 | -179.6 | 30.2 | -33.6 | 0 | 0 | 0 | 111.9 | Y306 | P297-Y306 HydrophobicContact CB-CD1 4.24Å; P297-Y306 HydrophobicContact CB-CE1 3.97Å |
| 298 | L | 91.9 | Very high | 91.2 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 117.5 | 173.3 | 176.7 | 67.4 | 0 | 0 | 0 | 109.5 | I239 V305 Y307 M366 | I239-L298 HydrophobicContact CG2-CD1 3.77Å; I239-L298 HydrophobicContact CG2-CD2 3.76Å; I239-L298 HydrophobicContact CG2-CG 4.42Å; L298-V305 WeakPolarHBondContact CA-O 3.24Å; L298-V305 HydrophobicContact CB-CG2 4.05Å; L298-V305 HydrophobicContact CD2-CG2 4.14Å; L298-V305 HydrophobicContact CG-CG2 4.29Å; L298-V305 PolarHBondContact N-O 3.24Å; L298-V305 WeakPolarHBondContact O-CG2 3.41Å; L298-V305 PolarHBondContact O-N 3.04Å; L298-Y307 HydrophobicContact CB-CD1 4.01Å; L298-Y307 HydrophobicContact CB-CE1 4.2Å; L298-M366 HydrophobicContact CD2-CE 3.6Å |
| 299 | W | 91.1 | Very high | 91.5 | Very high | 147 Ų | 147 | 42.7 Ų | 42.7 | 56% | 0.557 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 111.6 | 179.5 | -73.4 | 89.8 | 0 | 0 | 0 | 111.8 | C304 L405 | W299-C304 HydrophobicContact CD2-CB 3.86Å; W299-C304 HydrophobicContact CE3-CB 3.81Å; W299-C304 HydrophobicContact CH2-CB 3.68Å; W299-C304 HydrophobicContact CZ2-CB 3.71Å; W299-C304 HydrophobicContact CZ3-CB 3.72Å; W299-L405 HydrophobicContact CH2-CD1 4.25Å; W299-L405 HydrophobicContact CZ2-CD1 4.1Å |
| 300 | L | 88.3 | Confident | 91.6 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 91.1 | 166.2 | -68.3 | -171.7 | 0 | 0 | 0 | 109.9 | L224 L231 S235 K302 T303 | L224-L300 HydrophobicContact CD1-CB 4.4Å; L224-L300 WeakPolarHBondContact CD1-O 3.44Å; L231-L300 HydrophobicContact CD2-CD1 4.16Å; L231-L300 HydrophobicContact CG-CD1 4.37Å; S235-L300 WeakPolarHBondContact OG-CD1 3.18Å; L300-K302 PolarHBondContact O-N 2.9Å; L300-T303 PolarHBondContact N-O 3.07Å; L300-T303 PolarHBondContact O-N 2.74Å; L300-T303 PolarHBondContact O-OG1 3.15Å |
| 301 | K | 85.1 | Confident | 91.6 | Very high | 94 Ų | 94 | 43.2 Ų | 43.2 | 41% | 0.409 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -94.6 | -176.3 | -58.8 | 173.9 | 177.8 | 161.6 | 0 | 112.3 | V220 P221 L224 | V220-K301 HydrophobicContact CG1-CD 4.37Å; V220-K301 PolarHBondContact O-NZ 3.33Å; P221-K301 PolarHBondContact O-NZ 3.39Å; L224-K301 HydrophobicContact CD1-CD 4.35Å; L224-K301 HydrophobicContact CG-CD 4.4Å |
| 302 | K | 84.1 | Confident | 91.5 | Very high | 133 Ų | 133 | 42.8 Ų | 42.8 | 58% | 0.578 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.9 | -177.7 | -64.7 | -171.6 | 177 | -170.1 | 0 | 112.3 | L300 | L300-K302 PolarHBondContact O-N 2.9Š|
| 303 | T | 88.6 | Confident | 91.2 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 36% | 0.362 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | 178.9 | 16.3 | 0 | 0 | 0 | 0 | 109.3 | L224 L300 | L224-T303 VanDerWaalsContact CD1-OG1 3.23Å; L224-T303 WeakPolarHBondContact CD1-OG1 3.43Å; L300-T303 PolarHBondContact N-O 3.07Å; L300-T303 PolarHBondContact O-N 2.74Å; L300-T303 PolarHBondContact O-OG1 3.15Å |
| 304 | C | 90.7 | Very high | 90.8 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.2 | 168.7 | -170.6 | 0 | 0 | 0 | 0 | 107.8 | W299 | W299-C304 HydrophobicContact CD2-CB 3.86Å; W299-C304 HydrophobicContact CE3-CB 3.81Å; W299-C304 HydrophobicContact CH2-CB 3.68Å; W299-C304 HydrophobicContact CZ2-CB 3.71Å; W299-C304 HydrophobicContact CZ3-CB 3.72Å |
| 305 | V | 91.7 | Very high | 90.3 | Very high | 27 Ų | 27 | 50.1 Ų | 50.1 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.8 | 173 | -66 | 0 | 0 | 0 | 0 | 110.4 | L231 L298 | L231-V305 HydrophobicContact CD2-CB 4.29Å; L231-V305 HydrophobicContact CD2-CG1 3.37Å; L231-V305 HydrophobicContact CD2-CG2 4.26Å; L298-V305 WeakPolarHBondContact CA-O 3.24Å; L298-V305 HydrophobicContact CB-CG2 4.05Å; L298-V305 HydrophobicContact CD2-CG2 4.14Å; L298-V305 HydrophobicContact CG-CG2 4.29Å; L298-V305 PolarHBondContact N-O 3.24Å; L298-V305 WeakPolarHBondContact O-CG2 3.41Å; L298-V305 PolarHBondContact O-N 3.04Å |
| 306 | Y | 92.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.3 | -175.2 | -60 | -78.6 | 0 | 0 | 0 | 110.8 | P295 F296 P297 M366 | P295-Y306 HydrophobicContact CB-CD1 3.98Å; P295-Y306 HydrophobicContact CB-CG 4.17Å; F296-Y306 VanDerWaalsContact O-CA 3.32Å; F296-Y306 WeakPolarHBondContact O-CA 3.43Å; P297-Y306 HydrophobicContact CB-CD1 4.24Å; P297-Y306 HydrophobicContact CB-CE1 3.97Å; Y306-M366 WeakPolarHBondContact O-CG 3.3Å |
| 307 | Y | 94.7 | Very high | 88.5 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 18% | 0.18 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 157 | 175.7 | 72.8 | -81.2 | 0 | 0 | 0 | 111.6 | I239 F296 L298 I309 C365 M366 | I239-Y307 HydrophobicContact CD1-CD1 4.32Å; I239-Y307 HydrophobicContact CD1-CD2 3.76Å; I239-Y307 HydrophobicContact CD1-CE2 4Å; I239-Y307 HydrophobicContact CD1-CG 3.94Å; F296-Y307 HydrophobicContact CB-CD1 3.81Å; F296-Y307 HydrophobicContact CB-CD2 4.4Å; F296-Y307 HydrophobicContact CB-CE1 3.35Å; F296-Y307 HydrophobicContact CB-CE2 4.02Å; F296-Y307 HydrophobicContact CB-CG 4.29Å; F296-Y307 VanDerWaalsContact CB-CZ 3.45Å; F296-Y307 HydrophobicContact CD2-CE2 4.15Å; F296-Y307 HydrophobicContact CG-CE1 4.46Å; F296-Y307 HydrophobicContact CG-CE2 4.4Å; F296-Y307 PolarHBondContact N-O 3.18Å; F296-Y307 WeakPolarHBondContact O-CD1 3.3Å; F296-Y307 PolarHBondContact O-N 3.33Å; L298-Y307 HydrophobicContact CB-CD1 4.01Å; L298-Y307 HydrophobicContact CB-CE1 4.2Å; Y307-I309 HydrophobicContact CD2-CD1 4.36Å; Y307-I309 HydrophobicContact CD2-CG1 3.85Å; Y307-I309 HydrophobicContact CE2-CD1 3.6Å; Y307-I309 HydrophobicContact CE2-CG1 3.6Å; Y307-C365 CarbonylContact C-O 3.23Å; Y307-C365 VanDerWaalsContact CA-O 3.27Å; Y307-C365 WeakPolarHBondContact CA-O 3.45Å; Y307-C365 WeakPolarHBondContact CB-O 2.86Å; Y307-M366 HydrophobicContact CD1-CE 4.41Å; Y307-M366 HydrophobicContact CG-CE 4.19Å |
| 308 | Y | 95.1 | Very high | 87.3 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 148.3 | 179.6 | -56.8 | -87 | 0 | 0 | 0 | 108.9 | E293 P295 M364 C365 G370 L375 L398 | E293-Y308 CarbonylContact O-C 3.6Å; E293-Y308 WeakPolarHBondContact O-CA 3.4Å; P295-Y308 HydrophobicContact CB-CE1 3.89Å; Y308-M364 CarbonylContact O-C 3.59Å; Y308-M364 VanDerWaalsContact O-CA 3.3Å; Y308-M364 WeakPolarHBondContact O-CA 3.46Å; Y308-C365 PolarHBondContact N-O 2.71Å; Y308-C365 PolarHBondContact O-N 3.44Å; Y308-G370 WeakPolarHBondContact OH-CA 3.45Å; Y308-L375 HydrophobicContact CD1-CD1 3.86Å; Y308-L375 HydrophobicContact CD1-CD2 4.19Å; Y308-L375 HydrophobicContact CD2-CD2 3.78Å; Y308-L375 HydrophobicContact CE1-CD1 4.06Å; Y308-L375 HydrophobicContact CE2-CD2 4.31Å; Y308-L375 HydrophobicContact CG-CD1 4.27Å; Y308-L375 HydrophobicContact CG-CD2 3.73Å; Y308-L398 HydrophobicContact CD1-CD2 4.22Å; Y308-L398 HydrophobicContact CE1-CD2 4.24Å |
| 309 | I | 95.1 | Very high | 86.1 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.8 | -177.3 | -53.2 | 178.1 | 0 | 0 | 0 | 108.5 | V292 E293 F296 Y307 R311 V361 M364 | V292-I309 CarbonylContact C-O 3.59Å; V292-I309 WeakPolarHBondContact CA-O 3.47Å; E293-I309 PolarHBondContact N-O 2.65Å; E293-I309 PolarHBondContact O-N 2.82Å; F296-I309 HydrophobicContact CD2-CD1 3.71Å; F296-I309 HydrophobicContact CD2-CG1 3.84Å; F296-I309 HydrophobicContact CE2-CB 4.31Å; F296-I309 HydrophobicContact CE2-CD1 3.58Å; F296-I309 HydrophobicContact CE2-CG1 3.83Å; F296-I309 HydrophobicContact CZ-CD1 4.4Å; Y307-I309 HydrophobicContact CD2-CD1 4.36Å; Y307-I309 HydrophobicContact CD2-CG1 3.85Å; Y307-I309 HydrophobicContact CE2-CD1 3.6Å; Y307-I309 HydrophobicContact CE2-CG1 3.6Å; I309-R311 HydrophobicContact CG2-CB 4.29Å; I309-V361 HydrophobicContact CG2-CB 4.13Å; I309-V361 HydrophobicContact CG2-CG1 3.34Å; I309-V361 HydrophobicContact CG2-CG2 3.77Å; I309-M364 HydrophobicContact CG1-CG 4.4Å |
| 310 | L | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.1 | 166.7 | -177.1 | 70.8 | 0 | 0 | 0 | 108.6 | V290 F291 V292 F362 A363 W378 I379 L382 L389 | V290-L310 HydrophobicContact CB-CD1 4.07Å; V290-L310 HydrophobicContact CG1-CD1 3.31Å; V290-L310 HydrophobicContact CG1-CD2 4.31Å; V290-L310 HydrophobicContact CG1-CG 3.5Å; F291-L310 CarbonylContact O-C 3.25Å; F291-L310 WeakPolarHBondContact O-CA 3.32Å; V292-L310 HydrophobicContact CG2-CD1 3.8Å; L310-F362 HydrophobicContact CD2-CB 4.14Å; L310-F362 HydrophobicContact CG-CB 4.37Å; L310-F362 HydrophobicContact CG-CD2 4.48Å; L310-F362 PolarHBondContact O-N 3.25Å; L310-A363 HydrophobicContact CB-CB 4.25Å; L310-A363 HydrophobicContact CD2-CB 4.47Å; L310-A363 PolarHBondContact N-O 3.2Å; L310-W378 HydrophobicContact CB-CH2 3.71Å; L310-W378 HydrophobicContact CB-CZ2 4.45Å; L310-W378 HydrophobicContact CB-CZ3 4.35Å; L310-I379 HydrophobicContact CD1-CD1 3.86Å; L310-I379 HydrophobicContact CD2-CD1 4.33Å; L310-L382 HydrophobicContact CD2-CD2 3.54Å; L310-L389 HydrophobicContact CD2-CD2 4.27Å |
| 311 | R | 92.5 | Very high | 83.7 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.5 | -171.9 | 172 | 174.2 | 157.9 | 169.4 | -9.3 | 111.6 | V290 F291 I309 E358 P360 V361 | V290-R311 WeakPolarHBondContact CG1-O 3.39Å; F291-R311 WeakPolarHBondContact CA-O 3.32Å; F291-R311 PolarHBondContact N-O 3.16Å; F291-R311 PolarHBondContact O-N 3.5Å; I309-R311 HydrophobicContact CG2-CB 4.29Å; R311-E358 IonicContact NH1-OE2 2.58Å; R311-E358 PolarHBondContact NH1-OE2 2.97Å; R311-E358 VanDerWaalsContact NH1-OE2 3.09Å; R311-E358 VanDerWaalsContact NH2-CA 3.34Å; R311-P360 WeakPolarHBondContact CA-O 3.49Å; R311-V361 HydrophobicContact CB-CG2 4.49Å |
| 312 | A | 91.3 | Very high | 82.5 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 166.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G359 P360 F362 | A312-G359 CarbonylContact O-C 3.57Å; A312-G359 VanDerWaalsContact O-CA 3.23Å; A312-G359 WeakPolarHBondContact O-CA 3.43Å; A312-P360 HydrophobicContact CB-CG 4.29Å; A312-P360 PolarHBondContact N-O 3.49Å; A312-P360 VanDerWaalsContact N-O 3.11Å; A312-F362 HydrophobicContact CB-CE2 3.5Å; A312-F362 VanDerWaalsContact CB-CE2 3.5Å; A312-F362 HydrophobicContact CB-CZ 3.92Å |
| 313 | D | 89.4 | Confident | 81.4 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 152.2 | 165.9 | -68 | -27.6 | 0 | 0 | 0 | 110.2 | F291 R397 | F291-D313 WeakPolarHBondContact CE2-OD1 3.17Å; F291-D313 WeakPolarHBondContact CE2-OD2 3.5Å; D313-R397 IonicContact OD1-NH2 3.73Å |
| 314 | P | 83.5 | Confident | 79.9 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 141.8 | -179.2 | 23.3 | -34.4 | 0 | 0 | 0 | 111.8 | D357 | P314-D357 HydrophobicContact CG-CB 4.35Š|
| 315 | T | 77.9 | Confident | 78.5 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 124.4 | 175 | 45.6 | 0 | 0 | 0 | 0 | 108.9 | K320 | T315-K320 VanDerWaalsContact O-CE 3.24Å; T315-K320 WeakPolarHBondContact O-CE 3.45Å |
| 316 | P | 76.5 | Confident | 77.2 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 26% | 0.26 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 151.9 | 178.1 | 29.5 | -34.8 | 0 | 0 | 0 | 109.1 | R288 E318 E319 K320 | R288-P316 VanDerWaalsContact NH2-CG 3.28Å; P316-E318 PolarHBondContact O-N 3.19Å; P316-E319 HydrophobicContact CG-CB 4.28Å; P316-E319 HydrophobicContact CG-CG 4.18Å; P316-E319 PolarHBondContact O-N 3.46Å; P316-K320 PolarHBondContact O-N 3.42Å |
| 317 | P | 70.9 | Confident | 75.7 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 69% | 0.688 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -56.5 | -27.8 | -177 | 21.9 | -32.9 | 0 | 0 | 0 | 113.1 | E319 K320 | P317-E319 VanDerWaalsContact C-N 3.3Å; P317-E319 PolarHBondContact O-N 3.49Å; P317-K320 PolarHBondContact O-N 2.9Å |
| 318 | E | 68.4 | Low | 74.3 | Confident | 187 Ų | 187 | 90 Ų | 90 | 87% | 0.874 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -66.5 | -27 | 178.6 | -60.7 | 179.9 | 179.7 | 0 | 0 | 114.2 | P316 | P316-E318 PolarHBondContact O-N 3.19Š|
| 319 | E | 66.6 | Low | 72.9 | Confident | 86 Ų | 86 | 99 Ų | 99 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -102.5 | -0.4 | 180 | -69.3 | 177.4 | 173.4 | 0 | 0 | 112.4 | R288 P316 P317 E321 | R288-E319 IonicContact CZ-OE1 2.69Å; R288-E319 IonicContact CZ-OE2 3.86Å; R288-E319 IonicContact NH1-OE2 2.85Å; R288-E319 PolarHBondContact NH1-OE2 3.22Å; R288-E319 IonicContact NH2-OE1 3.09Å; R288-E319 PolarHBondContact NH2-OE1 3.3Å; R288-E319 IonicContact NH2-OE2 3.82Å; R288-E319 PolarHBondContact NH2-OE2 3.5Å; P316-E319 HydrophobicContact CG-CB 4.28Å; P316-E319 HydrophobicContact CG-CG 4.18Å; P316-E319 PolarHBondContact O-N 3.46Å; P317-E319 VanDerWaalsContact C-N 3.3Å; P317-E319 PolarHBondContact O-N 3.49Å; E319-E321 PolarHBondContact O-N 3.27Å |
| 320 | K | 65.9 | Low | 71.3 | Confident | 132 Ų | 132 | 99.9 Ų | 99.9 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | trans | -72.6 | 97.2 | 172.7 | -69 | -174.9 | -176.7 | -179.8 | 0 | 107.7 | T315 P316 P317 E322 | T315-K320 VanDerWaalsContact O-CE 3.24Å; T315-K320 WeakPolarHBondContact O-CE 3.45Å; P316-K320 PolarHBondContact O-N 3.42Å; P317-K320 PolarHBondContact O-N 2.9Å; K320-E322 PolarHBondContact O-N 2.96Å; K320-E322 VanDerWaalsContact O-N 3.08Å | ||
| 321 | E | 62.5 | Low | 69.6 | Low | 174 Ų | 174 | 108.6 Ų | 108.6 | 81% | 0.813 | 54% | 0.537 | S | S | * | . | trans | -62.4 | 109.4 | 164.3 | -67 | -176.8 | 175.6 | 0 | 0 | 107.4 | E319 E323 | E319-E321 PolarHBondContact O-N 3.27Å; E321-E323 PolarHBondContact O-N 3.22Å | ||
| 322 | E | 60.4 | Low | 68.3 | Low | 182 Ų | 182 | 116.4 Ų | 116.4 | 85% | 0.85 | 57% | 0.568 | S | S | * | * | trans | -61.9 | 107.9 | 164.8 | -76.1 | -177.4 | 173.2 | 0 | 0 | 106.8 | K320 V324 | K320-E322 PolarHBondContact O-N 2.96Å; K320-E322 VanDerWaalsContact O-N 3.08Å; E322-V324 PolarHBondContact O-N 3.21Å | ||
| 323 | E | 59.7 | Low | 66.9 | Low | 161 Ų | 161 | 124.7 Ų | 124.7 | 75% | 0.752 | 60% | 0.601 | S | S | * | * | trans | -58.7 | 110.4 | 172.9 | -69.2 | -166.8 | 166.5 | 0 | 0 | 107.7 | E321 Y325 | E321-E323 PolarHBondContact O-N 3.22Å; E323-Y325 PolarHBondContact O-N 2.84Å | ||
| 324 | V | 57.9 | Low | 65.5 | Low | 143 Ų | 143 | 125.4 Ų | 125.4 | 87% | 0.867 | 61% | 0.609 | S | S | * | * | trans | -60 | 107.4 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | E322 D326 | E322-V324 PolarHBondContact O-N 3.21Å; V324-D326 PolarHBondContact O-N 3.31Å | ||
| 325 | Y | 60.7 | Low | 64.3 | Low | 93 Ų | 93 | 127.9 Ų | 127.9 | 37% | 0.365 | 62% | 0.619 | S | S | . | * | trans | -63.5 | 125.6 | -178.7 | 171.5 | -100.8 | 0 | 0 | 0 | 109.7 | E323 P327 L335 Q336 | E323-Y325 PolarHBondContact O-N 2.84Å; Y325-P327 HydrophobicContact CD1-CB 4.45Å; Y325-P327 VanDerWaalsContact CE1-CA 3.44Å; Y325-P327 HydrophobicContact CE1-CB 3.94Å; Y325-P327 WeakPolarHBondContact O-CD 3.36Å; Y325-L335 HydrophobicContact CE2-CB 3.73Å; Y325-L335 HydrophobicContact CE2-CD1 3.69Å; Y325-L335 HydrophobicContact CE2-CG 4.32Å; Y325-L335 WeakPolarHBondContact OH-CB 2.93Å; Y325-L335 WeakPolarHBondContact OH-CD1 3.47Å; Y325-Q336 HydrophobicContact CE1-CB 4.48Å | ||
| 326 | D | 64.1 | Low | 63.3 | Low | 85 Ų | 85 | 130.2 Ų | 130.2 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | trans | -87.6 | 105.3 | 173.2 | -179.9 | 7 | 0 | 0 | 0 | 109.3 | V324 E328 R329 | V324-D326 PolarHBondContact O-N 3.31Å; D326-E328 PolarHBondContact O-N 3.04Å; D326-E328 VanDerWaalsContact O-N 3.14Å; D326-E328 PolarHBondContact OD1-N 2.94Å; D326-R329 HydrophobicContact CB-CB 4.3Å; D326-R329 WeakPolarHBondContact O-CB 3.24Å; D326-R329 PolarHBondContact O-N 3.06Å | ||
| 327 | P | 62.9 | Low | 62.3 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -17.6 | -179 | 27.6 | -34.8 | 0 | 0 | 0 | 113.3 | Y325 | Y325-P327 HydrophobicContact CD1-CB 4.45Å; Y325-P327 VanDerWaalsContact CE1-CA 3.44Å; Y325-P327 HydrophobicContact CE1-CB 3.94Å; Y325-P327 WeakPolarHBondContact O-CD 3.36Å |
| 328 | E | 63.7 | Low | 61.7 | Low | 139 Ų | 139 | 134.9 Ų | 134.9 | 65% | 0.65 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -4.5 | -179.3 | -58 | -168.6 | 169.3 | 0 | 0 | 113.2 | D326 C330 | D326-E328 PolarHBondContact O-N 3.04Å; D326-E328 VanDerWaalsContact O-N 3.14Å; D326-E328 PolarHBondContact OD1-N 2.94Å; E328-C330 VanDerWaalsContact C-N 3.25Å; E328-C330 PolarHBondContact O-N 3Å |
| 329 | R | 66.4 | Low | 61.3 | Low | 204 Ų | 204 | 131.2 Ų | 131.2 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -67.9 | -19.7 | -174.7 | -157 | 174.6 | -175 | -175.2 | 2.1 | 114.1 | D326 | D326-R329 HydrophobicContact CB-CB 4.3Å; D326-R329 WeakPolarHBondContact O-CB 3.24Å; D326-R329 PolarHBondContact O-N 3.06Å |
| 330 | C | 61 | Low | 60.9 | Low | 40 Ų | 40 | 134.7 Ų | 134.7 | 27% | 0.27 | 65% | 0.649 | S | S | . | * | trans | -136 | 100.6 | 177.5 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | E328 Y332 Y333 L335 | E328-C330 VanDerWaalsContact C-N 3.25Å; E328-C330 PolarHBondContact O-N 3Å; C330-Y332 VanDerWaalsContact C-N 3.31Å; C330-Y332 PolarHBondContact O-N 3.06Å; C330-Y333 WeakPolarHBondContact CB-O 3.49Å; C330-Y333 PolarHBondContact SG-N 3.27Å; C330-Y333 PolarHBondContact SG-O 3.27Å; C330-L335 HydrophobicContact CB-CD1 3.61Å; C330-L335 HydrophobicContact CB-CD2 4.33Å; C330-L335 HydrophobicContact CB-CG 3.8Å | ||
| 331 | F | 60.1 | Low | 60.6 | Low | 183 Ų | 183 | 134.3 Ų | 134.3 | 80% | 0.803 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -71.1 | -20.7 | 179 | -74.2 | -78.3 | 0 | 0 | 0 | 114.8 | ||
| 332 | Y | 64.6 | Low | 60.2 | Low | 209 Ų | 209 | 134 Ų | 134 | 82% | 0.82 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -101.4 | -25.8 | -171.5 | -74.2 | -83.1 | 0 | 0 | 0 | 113.9 | C330 | C330-Y332 VanDerWaalsContact C-N 3.31Å; C330-Y332 PolarHBondContact O-N 3.06Å |
| 333 | Y | 61.3 | Low | 60 | Low | 175 Ų | 175 | 132 Ų | 132 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -137.3 | 118.7 | 177.7 | -65.6 | -79 | 0 | 0 | 0 | 108.7 | C330 L335 | C330-Y333 WeakPolarHBondContact CB-O 3.49Å; C330-Y333 PolarHBondContact SG-N 3.27Å; C330-Y333 PolarHBondContact SG-O 3.27Å; Y333-L335 PolarHBondContact O-N 3.35Å; Y333-L335 VanDerWaalsContact O-N 3.1Å |
| 334 | P | 60.7 | Low | 60 | Low | 85 Ų | 85 | 131.1 Ų | 131.1 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | trans | -61.4 | 116.7 | 170.8 | 26 | -31.1 | 0 | 0 | 0 | 107.8 | Q336 L337 | P334-Q336 PolarHBondContact O-N 2.8Å; P334-L337 HydrophobicContact CG-CG 4.38Å | ||
| 335 | L | 58.7 | Low | 60 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 56% | 0.555 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -74.4 | -11.8 | 179.5 | -51.8 | 146.6 | 0 | 0 | 0 | 111.3 | Y325 C330 Y333 | Y325-L335 HydrophobicContact CE2-CB 3.73Å; Y325-L335 HydrophobicContact CE2-CD1 3.69Å; Y325-L335 HydrophobicContact CE2-CG 4.32Å; Y325-L335 WeakPolarHBondContact OH-CB 2.93Å; Y325-L335 WeakPolarHBondContact OH-CD1 3.47Å; C330-L335 HydrophobicContact CB-CD1 3.61Å; C330-L335 HydrophobicContact CB-CD2 4.33Å; C330-L335 HydrophobicContact CB-CG 3.8Å; Y333-L335 PolarHBondContact O-N 3.35Å; Y333-L335 VanDerWaalsContact O-N 3.1Å |
| 336 | Q | 55.8 | Low | 60 | Low | 112 Ų | 112 | 132 Ų | 132 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -119.2 | 119.8 | 167.3 | -172.7 | 171.5 | -7.3 | 0 | 0 | 109.4 | Y325 P334 D338 | Y325-Q336 HydrophobicContact CE1-CB 4.48Å; P334-Q336 PolarHBondContact O-N 2.8Å; Q336-D338 PolarHBondContact NE2-OD1 2.95Å |
| 337 | L | 56.8 | Low | 59.8 | Low | 116 Ų | 116 | 133.1 Ų | 133.1 | 61% | 0.607 | 67% | 0.667 | S | S | * | * | trans | -105.9 | 90.7 | 173.9 | -96.9 | 140.2 | 0 | 0 | 0 | 107.1 | P334 L339 | P334-L337 HydrophobicContact CG-CG 4.38Å; L337-L339 HydrophobicContact CB-CG 4.19Å; L337-L339 HydrophobicContact CD2-CD1 4.26Å; L337-L339 HydrophobicContact CD2-CD2 3.75Å; L337-L339 HydrophobicContact CD2-CG 3.88Å; L337-L339 PolarHBondContact O-N 3.39Å | ||
| 338 | D | 57 | Low | 59.6 | Low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | trans | -73.6 | 79.8 | 164.3 | -75.4 | -7.6 | 0 | 0 | 0 | 107.1 | Q336 D340 | Q336-D338 PolarHBondContact NE2-OD1 2.95Å; D338-D340 PolarHBondContact O-N 3.16Å | ||
| 339 | L | 61 | Low | 59.2 | Low | 111 Ų | 111 | 138.4 Ų | 138.4 | 58% | 0.581 | 68% | 0.684 | S | S | * | * | trans | -78.2 | 104.5 | 171.1 | -68.6 | 169.5 | 0 | 0 | 0 | 106.8 | L337 L341 | L337-L339 HydrophobicContact CB-CG 4.19Å; L337-L339 HydrophobicContact CD2-CD1 4.26Å; L337-L339 HydrophobicContact CD2-CD2 3.75Å; L337-L339 HydrophobicContact CD2-CG 3.88Å; L337-L339 PolarHBondContact O-N 3.39Å; L339-L341 HydrophobicContact CB-CD1 4.19Å; L339-L341 HydrophobicContact CB-CG 4Å; L339-L341 HydrophobicContact CD1-CD1 4.4Å; L339-L341 PolarHBondContact O-N 3.18Å | ||
| 340 | D | 56.8 | Low | 58.6 | Low | 159 Ų | 159 | 134.8 Ų | 134.8 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | trans | -65.8 | 63.8 | 162.2 | -74.2 | -24.1 | 0 | 0 | 0 | 109.1 | D338 D342 | D338-D340 PolarHBondContact O-N 3.16Å; D340-D342 PolarHBondContact O-N 2.9Å | ||
| 341 | L | 60.4 | Low | 58.3 | Low | 124 Ų | 124 | 141.4 Ų | 141.4 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | -75.8 | 105.4 | 161.9 | -65.5 | 168.9 | 0 | 0 | 0 | 104.2 | L339 R343 | L339-L341 HydrophobicContact CB-CD1 4.19Å; L339-L341 HydrophobicContact CB-CG 4Å; L339-L341 HydrophobicContact CD1-CD1 4.4Å; L339-L341 PolarHBondContact O-N 3.18Å; L341-R343 WeakPolarHBondContact O-CG 3.15Å; L341-R343 PolarHBondContact O-N 2.92Å | ||
| 342 | D | 54.3 | Low | 58.2 | Low | 167 Ų | 167 | 139.8 Ų | 139.8 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -56 | 94.3 | 165.2 | -71.1 | -41.5 | 0 | 0 | 0 | 107.3 | D340 | D340-D342 PolarHBondContact O-N 2.9Š| ||
| 343 | R | 56.1 | Low | 58.1 | Low | 141 Ų | 141 | 134.5 Ų | 134.5 | 53% | 0.532 | 69% | 0.693 | S | S | . | * | trans | -73.1 | 133.2 | -174.9 | -77.1 | 166 | 78.1 | -169.3 | 0.4 | 109.1 | L341 E349 | L341-R343 WeakPolarHBondContact O-CG 3.15Å; L341-R343 PolarHBondContact O-N 2.92Å; R343-E349 IonicContact CZ-OE1 3.63Å; R343-E349 IonicContact NH1-OE1 2.9Å; R343-E349 PolarHBondContact NH1-OE1 2.92Å; R343-E349 IonicContact NH2-OE1 3.79Å | ||
| 344 | D | 60.2 | Low | 58 | Low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | -65.5 | 146.6 | 174.5 | -95.2 | -32.1 | 0 | 0 | 0 | 110.1 | G346 D347 | D344-G346 PolarHBondContact O-N 3.4Å; D344-D347 PolarHBondContact O-N 3.46Å | ||
| 345 | L | 57.9 | Low | 58.1 | Low | 192 Ų | 192 | 135.2 Ų | 135.2 | 100% | 1.005 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 9.3 | -175.2 | -66.7 | 166.4 | 0 | 0 | 0 | 115.9 | ||
| 346 | G | 61.3 | Low | 58.4 | Low | 62 Ų | 62 | 136.5 Ų | 136.5 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | -1.8 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | D344 E348 | D344-G346 PolarHBondContact O-N 3.4Å; G346-E348 PolarHBondContact O-N 3.41Å |
| 347 | D | 59.9 | Low | 58.9 | Low | 109 Ų | 109 | 137.5 Ų | 137.5 | 58% | 0.583 | 72% | 0.72 | S | S | * | * | trans | -84.7 | 90.8 | 176.3 | -71.4 | -16.5 | 0 | 0 | 0 | 109.5 | D344 E349 | D344-D347 PolarHBondContact O-N 3.46Å; D347-E349 PolarHBondContact O-N 3.5Å | ||
| 348 | E | 57.3 | Low | 59.8 | Low | 192 Ų | 192 | 137.9 Ų | 137.9 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | -58 | 122.9 | 171.9 | -70.6 | -174.8 | 172.9 | 0 | 0 | 109.9 | G346 N350 | G346-E348 PolarHBondContact O-N 3.41Å; E348-N350 VanDerWaalsContact C-N 3.33Å; E348-N350 PolarHBondContact O-N 2.93Å | ||
| 349 | E | 56.6 | Low | 61.1 | Low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -71.2 | -17.5 | -165.3 | -100.9 | -179.9 | 162.7 | 0 | 0 | 116.1 | R343 D347 | R343-E349 IonicContact CZ-OE1 3.63Å; R343-E349 IonicContact NH1-OE1 2.9Å; R343-E349 PolarHBondContact NH1-OE1 2.92Å; R343-E349 IonicContact NH2-OE1 3.79Å; D347-E349 PolarHBondContact O-N 3.5Å | ||
| 350 | N | 53.6 | Low | 62.4 | Low | 129 Ų | 129 | 128.9 Ų | 128.9 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | trans | -104 | 105.3 | -169.1 | -149.2 | 39.6 | 0 | 0 | 0 | 108.9 | E348 D352 | E348-N350 VanDerWaalsContact C-N 3.33Å; E348-N350 PolarHBondContact O-N 2.93Å; N350-D352 PolarHBondContact O-N 3.27Å; N350-D352 VanDerWaalsContact O-N 3.15Å | ||
| 351 | F | 54.4 | Low | 64.1 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | trans | -57.3 | 121 | 148.7 | -73.9 | -88.3 | 0 | 0 | 0 | 105.3 | V353 | F351-V353 HydrophobicContact CB-CG2 3.8Å; F351-V353 PolarHBondContact O-N 2.82Å | ||
| 352 | D | 57.8 | Low | 65.6 | Low | 148 Ų | 148 | 117.9 Ų | 117.9 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | trans | -70.7 | 70.6 | 174.3 | -144.8 | 18.3 | 0 | 0 | 0 | 107.3 | N350 | N350-D352 PolarHBondContact O-N 3.27Å; N350-D352 VanDerWaalsContact O-N 3.15Å | ||
| 353 | V | 62 | Low | 67.5 | Low | 99 Ų | 99 | 110 Ų | 110 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | trans | -89 | 110.9 | 169.7 | -174.4 | 0 | 0 | 0 | 0 | 104.1 | F351 D355 | F351-V353 HydrophobicContact CB-CG2 3.8Å; F351-V353 PolarHBondContact O-N 2.82Å; V353-D355 PolarHBondContact O-N 2.75Å | ||
| 354 | D | 60.6 | Low | 69.4 | Low | 134 Ų | 134 | 104.2 Ų | 104.2 | 72% | 0.717 | 56% | 0.556 | S | S | * | * | trans | -58.5 | 105.8 | 167.1 | -71 | -43.3 | 0 | 0 | 0 | 107.1 | L356 | D354-L356 PolarHBondContact O-N 2.78Š| ||
| 355 | D | 62.1 | Low | 71.1 | Confident | 141 Ų | 141 | 97.5 Ų | 97.5 | 75% | 0.754 | 52% | 0.52 | S | S | * | . | trans | -65.3 | 92.1 | 169.7 | -75.9 | -32.6 | 0 | 0 | 0 | 107 | V353 D357 | V353-D355 PolarHBondContact O-N 2.75Å; D355-D357 PolarHBondContact O-N 2.8Å | ||
| 356 | L | 63.8 | Low | 72.8 | Confident | 132 Ų | 132 | 88.6 Ų | 88.6 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | trans | -67.1 | 116.4 | 171.9 | -66.2 | 173.1 | 0 | 0 | 0 | 107.1 | D354 E358 | D354-L356 PolarHBondContact O-N 2.78Å; L356-E358 HydrophobicContact CB-CG 4.25Å; L356-E358 PolarHBondContact O-N 3.4Å | ||
| 357 | D | 66.7 | Low | 74.3 | Confident | 133 Ų | 133 | 86.2 Ų | 86.2 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | trans | -69.5 | 57 | 176.9 | -74.6 | -39.5 | 0 | 0 | 0 | 111.6 | P314 D355 | P314-D357 HydrophobicContact CG-CB 4.35Å; D355-D357 PolarHBondContact O-N 2.8Å | ||
| 358 | E | 76.9 | Confident | 75.4 | Confident | 125 Ų | 125 | 84 Ų | 84 | 58% | 0.584 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 124.9 | 175.5 | -65.4 | -165.1 | -158.5 | 0 | 0 | 111.1 | R311 L356 | R311-E358 IonicContact NH1-OE2 2.58Å; R311-E358 PolarHBondContact NH1-OE2 2.97Å; R311-E358 VanDerWaalsContact NH1-OE2 3.09Å; R311-E358 VanDerWaalsContact NH2-CA 3.34Å; L356-E358 HydrophobicContact CB-CG 4.25Å; L356-E358 PolarHBondContact O-N 3.4Å |
| 359 | G | 83.1 | Confident | 76.7 | Confident | 8 Ų | 8 | 79.2 Ų | 79.2 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 170.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A312 | A312-G359 CarbonylContact O-C 3.57Å; A312-G359 VanDerWaalsContact O-CA 3.23Å; A312-G359 WeakPolarHBondContact O-CA 3.43Å |
| 360 | P | 88.6 | Confident | 77.9 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 26% | 0.26 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 139.6 | -171.2 | 27.2 | -34.4 | 0 | 0 | 0 | 112.2 | R311 A312 F362 | R311-P360 WeakPolarHBondContact CA-O 3.49Å; A312-P360 HydrophobicContact CB-CG 4.29Å; A312-P360 PolarHBondContact N-O 3.49Å; A312-P360 VanDerWaalsContact N-O 3.11Å; P360-F362 HydrophobicContact CB-CE1 4.21Å; P360-F362 HydrophobicContact CB-CZ 4.39Å; P360-F362 HydrophobicContact CG-CE1 4.12Å; P360-F362 HydrophobicContact CG-CZ 3.84Å |
| 361 | V | 92.3 | Very high | 79.5 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.7 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 109.9 | Q277 I309 R311 M364 | Q277-V361 PolarHBondContact NE2-O 3.26Å; Q277-V361 VanDerWaalsContact NE2-O 3.08Å; I309-V361 HydrophobicContact CG2-CB 4.13Å; I309-V361 HydrophobicContact CG2-CG1 3.34Å; I309-V361 HydrophobicContact CG2-CG2 3.77Å; R311-V361 HydrophobicContact CB-CG2 4.49Å; V361-M364 HydrophobicContact CG1-CG 4.34Å |
| 362 | F | 93.1 | Very high | 81.2 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -27.4 | -174.6 | -59.6 | -61.4 | 0 | 0 | 0 | 114.8 | Q273 Q277 L280 L281 H284 V290 L310 A312 P360 | Q273-F362 WeakPolarHBondContact CG-O 3.42Å; Q273-F362 PolarHBondContact NE2-O 3.44Å; Q273-F362 VanDerWaalsContact NE2-O 3.09Å; Q277-F362 VanDerWaalsContact CB-O 3.31Å; Q277-F362 WeakPolarHBondContact CB-O 3.32Å; L280-F362 HydrophobicContact CB-CD1 4.28Å; L280-F362 HydrophobicContact CB-CE1 4.14Å; L281-F362 HydrophobicContact CB-CB 4.39Å; L281-F362 HydrophobicContact CB-CD1 3.72Å; L281-F362 HydrophobicContact CB-CE1 4.18Å; L281-F362 HydrophobicContact CB-CG 4.15Å; L281-F362 HydrophobicContact CD1-CB 4.27Å; L281-F362 HydrophobicContact CD1-CD1 3.99Å; L281-F362 HydrophobicContact CD1-CD2 3.78Å; L281-F362 HydrophobicContact CD1-CE1 4.2Å; L281-F362 HydrophobicContact CD1-CE2 3.96Å; L281-F362 HydrophobicContact CD1-CG 3.77Å; L281-F362 HydrophobicContact CD1-CZ 4.18Å; L281-F362 HydrophobicContact CD2-CB 4.4Å; L281-F362 HydrophobicContact CG-CD1 4.41Å; L281-F362 HydrophobicContact CG-CG 4.42Å; H284-F362 HydrophobicContact CB-CZ 4.11Å; H284-F362 AromaticContact CG-CZ 3.91Å; H284-F362 AromaticContact ND1-CZ 3.75Å; V290-F362 HydrophobicContact CG1-CD2 3.78Å; V290-F362 HydrophobicContact CG1-CE2 3.96Å; V290-F362 HydrophobicContact CG2-CE2 4.14Å; L310-F362 HydrophobicContact CD2-CB 4.14Å; L310-F362 HydrophobicContact CG-CB 4.37Å; L310-F362 HydrophobicContact CG-CD2 4.48Å; L310-F362 PolarHBondContact O-N 3.25Å; A312-F362 HydrophobicContact CB-CE2 3.5Å; A312-F362 VanDerWaalsContact CB-CE2 3.5Å; A312-F362 HydrophobicContact CB-CZ 3.92Å; P360-F362 HydrophobicContact CB-CE1 4.21Å; P360-F362 HydrophobicContact CB-CZ 4.39Å; P360-F362 HydrophobicContact CG-CE1 4.12Å; P360-F362 HydrophobicContact CG-CZ 3.84Å |
| 363 | A | 94.5 | Very high | 82.8 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 159.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q273 L310 W378 L382 | Q273-A363 HydrophobicContact CG-CB 4.5Å; L310-A363 HydrophobicContact CB-CB 4.25Å; L310-A363 HydrophobicContact CD2-CB 4.47Å; L310-A363 PolarHBondContact N-O 3.2Å; A363-W378 HydrophobicContact CB-CH2 4.38Å; A363-W378 HydrophobicContact CB-CZ2 3.75Å; A363-L382 HydrophobicContact CB-CD1 4.29Å; A363-L382 HydrophobicContact CB-CD2 3.82Å |
| 364 | M | 95.6 | Very high | 84.1 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.2 | 171.9 | -61.5 | 177 | -73.3 | 0 | 0 | 110.3 | L236 I239 A240 G271 I272 Y308 I309 V361 | L236-M364 HydrophobicContact CD2-CB 4.04Å; I239-M364 HydrophobicContact CD1-CE 4.34Å; I239-M364 HydrophobicContact CD1-SD 3.67Å; I239-M364 HydrophobicContact CG1-CE 4.01Å; I239-M364 HydrophobicContact CG1-SD 3.94Å; A240-M364 HydrophobicContact CB-CE 4.16Å; G271-M364 CarbonylContact C-O 3.59Å; G271-M364 VanDerWaalsContact CA-O 3.3Å; G271-M364 WeakPolarHBondContact CA-O 3.19Å; I272-M364 HydrophobicContact CG2-CB 3.82Å; I272-M364 HydrophobicContact CG2-CE 3.89Å; I272-M364 PolarHBondContact N-O 3.46Å; I272-M364 PolarHBondContact O-N 2.91Å; I272-M364 VanDerWaalsContact O-N 3.17Å; Y308-M364 CarbonylContact O-C 3.59Å; Y308-M364 VanDerWaalsContact O-CA 3.3Å; Y308-M364 WeakPolarHBondContact O-CA 3.46Å; I309-M364 HydrophobicContact CG1-CG 4.4Å; V361-M364 HydrophobicContact CG1-CG 4.34Å |
| 365 | C | 94.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 149.6 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 112 | V270 Y307 Y308 W378 | V270-C365 CarbonylContact O-C 3.58Å; V270-C365 VanDerWaalsContact O-CA 3.26Å; V270-C365 WeakPolarHBondContact O-CA 3.47Å; V270-C365 PolarHBondContact O-SG 2.98Å; Y307-C365 CarbonylContact C-O 3.23Å; Y307-C365 VanDerWaalsContact CA-O 3.27Å; Y307-C365 WeakPolarHBondContact CA-O 3.45Å; Y307-C365 WeakPolarHBondContact CB-O 2.86Å; Y308-C365 PolarHBondContact N-O 2.71Å; Y308-C365 PolarHBondContact O-N 3.44Å; C365-W378 HydrophobicContact CB-CD2 3.48Å; C365-W378 VanDerWaalsContact CB-CD2 3.48Å; C365-W378 HydrophobicContact CB-CE3 3.81Å; C365-W378 HydrophobicContact CB-CG 4.01Å; C365-W378 HydrophobicContact CB-CH2 3.79Å; C365-W378 HydrophobicContact CB-CZ2 3.51Å; C365-W378 HydrophobicContact CB-CZ3 3.95Å |
| 366 | M | 94.7 | Very high | 87.1 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.3 | 168 | -72.4 | -179.9 | -177.1 | 0 | 0 | 109.4 | A232 S235 L236 I239 V270 L298 Y306 Y307 | A232-M366 HydrophobicContact CB-CB 3.93Å; A232-M366 HydrophobicContact CB-SD 4.29Å; S235-M366 WeakPolarHBondContact CB-SD 3.44Å; L236-M366 HydrophobicContact CD1-CB 4.44Å; L236-M366 HydrophobicContact CD1-CG 4.43Å; L236-M366 HydrophobicContact CD2-CE 3.85Å; L236-M366 HydrophobicContact CD2-CG 3.79Å; L236-M366 HydrophobicContact CD2-SD 4.05Å; L236-M366 HydrophobicContact CG-CB 4.47Å; L236-M366 HydrophobicContact CG-CE 4.14Å; L236-M366 HydrophobicContact CG-CG 3.96Å; L236-M366 HydrophobicContact CG-SD 3.84Å; I239-M366 HydrophobicContact CD1-CE 3.99Å; V270-M366 PolarHBondContact N-O 3.3Å; V270-M366 PolarHBondContact O-N 3.48Å; L298-M366 HydrophobicContact CD2-CE 3.6Å; Y306-M366 WeakPolarHBondContact O-CG 3.3Å; Y307-M366 HydrophobicContact CD1-CE 4.41Å; Y307-M366 HydrophobicContact CG-CE 4.19Å |
| 367 | T | 91.6 | Very high | 88.4 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.7 | 178.5 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | H268 I269 Q369 T374 L375 | H268-T367 VanDerWaalsContact O-CA 3.24Å; H268-T367 WeakPolarHBondContact O-CA 3.49Å; H268-T367 WeakPolarHBondContact O-CB 3.47Å; I269-T367 HydrophobicContact CB-CG2 4.37Å; I269-T367 HydrophobicContact CG1-CG2 4.08Å; I269-T367 HydrophobicContact CG2-CG2 4.2Å; T367-Q369 VanDerWaalsContact C-N 3.32Å; T367-Q369 PolarHBondContact OG1-O 3.08Å; T367-T374 HydrophobicContact CG2-CG2 4.07Å; T367-L375 HydrophobicContact CG2-CD2 4.43Å |
| 368 | S | 83.8 | Confident | 89.7 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -72.5 | -28.8 | 171.2 | 46.6 | 0 | 0 | 0 | 0 | 112.5 | P267 H268 | P267-S368 WeakPolarHBondContact CA-OG 3.4Å; P267-S368 WeakPolarHBondContact CB-OG 3.48Å; H268-S368 VanDerWaalsContact CE1-CB 3.44Å; H268-S368 WeakPolarHBondContact CE1-CB 3.38Å; H268-S368 PolarHBondContact CE1-N 3.09Å; H268-S368 PolarHBondContact N-OG 3.25Å; H268-S368 WeakPolarHBondContact ND1-CB 3.4Å; H268-S368 PolarHBondContact ND1-OG 3.46Å |
| 369 | Q | 84.3 | Confident | 90.6 | Very high | 92 Ų | 92 | 34.6 Ų | 34.6 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -128.2 | 123.3 | 179.2 | -168.5 | 168.3 | 0.3 | 0 | 0 | 109.6 | P267 T367 D371 | P267-Q369 HydrophobicContact CB-CB 3.99Å; P267-Q369 HydrophobicContact CG-CB 4.32Å; T367-Q369 VanDerWaalsContact C-N 3.32Å; T367-Q369 PolarHBondContact OG1-O 3.08Å; Q369-D371 HydrophobicContact CG-CB 4.41Å; Q369-D371 PolarHBondContact NE2-OD2 2.94Å; Q369-D371 PolarHBondContact O-N 3.48Å |
| 370 | G | 81.6 | Confident | 91 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 24% | 0.237 | 22% | 0.221 | C | C | . | . | trans | -83 | 24.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y308 | Y308-G370 WeakPolarHBondContact OH-CA 3.45Š| ||
| 371 | D | 88.1 | Confident | 91.2 | Very high | 70 Ų | 70 | 35.9 Ų | 35.9 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | trans | -74.7 | 148.9 | -171.4 | -70.2 | -9.4 | 0 | 0 | 0 | 111.1 | Q369 A373 T374 L375 | Q369-D371 HydrophobicContact CG-CB 4.41Å; Q369-D371 PolarHBondContact NE2-OD2 2.94Å; Q369-D371 PolarHBondContact O-N 3.48Å; D371-A373 PolarHBondContact O-N 2.82Å; D371-A373 VanDerWaalsContact O-N 3.12Å; D371-T374 PolarHBondContact O-N 2.62Å; D371-L375 PolarHBondContact O-N 3.27Å | ||
| 372 | Q | 90.3 | Very high | 91.2 | Very high | 114 Ų | 114 | 33.6 Ų | 33.6 | 53% | 0.533 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.9 | -33.9 | 176.6 | -174.1 | 178.6 | -5.4 | 0 | 0 | 112 | N376 F396 L398 | Q372-N376 WeakPolarHBondContact O-CB 3.38Å; Q372-N376 VanDerWaalsContact O-CG 3.32Å; Q372-N376 PolarHBondContact O-N 3.25Å; Q372-N376 PolarHBondContact O-ND2 3.06Å; Q372-F396 HydrophobicContact CG-CB 4.41Å; Q372-F396 HydrophobicContact CG-CD1 4.18Å; Q372-F396 HydrophobicContact CG-CD2 3.74Å; Q372-F396 HydrophobicContact CG-CE1 4.46Å; Q372-F396 HydrophobicContact CG-CE2 4.04Å; Q372-F396 HydrophobicContact CG-CG 3.83Å; Q372-F396 HydrophobicContact CG-CZ 4.39Å; Q372-L398 HydrophobicContact CB-CD1 4.25Å |
| 373 | A | 89.8 | Confident | 91.2 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 56% | 0.562 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D371 N376 Q377 | D371-A373 PolarHBondContact O-N 2.82Å; D371-A373 VanDerWaalsContact O-N 3.12Å; A373-N376 WeakPolarHBondContact O-CB 3.23Å; A373-N376 PolarHBondContact O-N 3.05Å; A373-Q377 PolarHBondContact O-N 2.8Å; A373-Q377 VanDerWaalsContact O-N 3.13Å |
| 374 | T | 91.1 | Very high | 91 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 178.2 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | P267 I269 T367 D371 N376 Q377 W378 | P267-T374 HydrophobicContact CB-CG2 4.26Å; P267-T374 HydrophobicContact CG-CG2 3.49Å; P267-T374 VanDerWaalsContact CG-CG2 3.49Å; I269-T374 HydrophobicContact CD1-CG2 3.65Å; I269-T374 HydrophobicContact CG1-CG2 3.72Å; T367-T374 HydrophobicContact CG2-CG2 4.07Å; D371-T374 PolarHBondContact O-N 2.62Å; T374-N376 VanDerWaalsContact C-N 3.32Å; T374-N376 PolarHBondContact O-N 3.32Å; T374-Q377 WeakPolarHBondContact O-CB 3.46Å; T374-Q377 PolarHBondContact O-N 3.27Å; T374-Q377 VanDerWaalsContact O-N 3.12Å; T374-W378 PolarHBondContact O-N 3.06Å |
| 375 | L | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.4 | -32.2 | 177.5 | -63.6 | 171.9 | 0 | 0 | 0 | 111.8 | V292 Y308 T367 D371 Q377 W378 I379 F396 L398 | V292-L375 HydrophobicContact CG1-CB 4.48Å; V292-L375 HydrophobicContact CG1-CD1 3.97Å; Y308-L375 HydrophobicContact CD1-CD1 3.86Å; Y308-L375 HydrophobicContact CD1-CD2 4.19Å; Y308-L375 HydrophobicContact CD2-CD2 3.78Å; Y308-L375 HydrophobicContact CE1-CD1 4.06Å; Y308-L375 HydrophobicContact CE2-CD2 4.31Å; Y308-L375 HydrophobicContact CG-CD1 4.27Å; Y308-L375 HydrophobicContact CG-CD2 3.73Å; T367-L375 HydrophobicContact CG2-CD2 4.43Å; D371-L375 PolarHBondContact O-N 3.27Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.01Å; L375-W378 HydrophobicContact CD2-CE3 4.24Å; L375-W378 WeakPolarHBondContact O-CB 3.03Å; L375-W378 PolarHBondContact O-N 2.84Å; L375-I379 WeakPolarHBondContact O-CG1 3.41Å; L375-I379 PolarHBondContact O-N 3.33Å; L375-F396 HydrophobicContact CB-CD1 4.25Å; L375-F396 HydrophobicContact CB-CE1 3.63Å; L375-F396 HydrophobicContact CD1-CD1 4.44Å; L375-L398 HydrophobicContact CD1-CD1 4.04Å; L375-L398 HydrophobicContact CD1-CD2 3.44Å; L375-L398 VanDerWaalsContact CD1-CD2 3.44Å; L375-L398 HydrophobicContact CD1-CG 4.38Å |
| 376 | N | 92.6 | Very high | 90.6 | Very high | 58 Ų | 58 | 48.3 Ų | 48.3 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 169.7 | -85.2 | -52.5 | 0 | 0 | 0 | 112.6 | Q372 A373 T374 W378 I379 S380 F396 | Q372-N376 WeakPolarHBondContact O-CB 3.38Å; Q372-N376 VanDerWaalsContact O-CG 3.32Å; Q372-N376 PolarHBondContact O-N 3.25Å; Q372-N376 PolarHBondContact O-ND2 3.06Å; A373-N376 WeakPolarHBondContact O-CB 3.23Å; A373-N376 PolarHBondContact O-N 3.05Å; T374-N376 VanDerWaalsContact C-N 3.32Å; T374-N376 PolarHBondContact O-N 3.32Å; N376-W378 VanDerWaalsContact C-N 3.33Å; N376-I379 PolarHBondContact O-N 3.02Å; N376-S380 WeakPolarHBondContact O-CB 3.25Å; N376-S380 PolarHBondContact O-N 3.39Å; N376-S380 PolarHBondContact O-OG 3.19Å; N376-F396 HydrophobicContact CB-CZ 4.45Å; N376-F396 VanDerWaalsContact OD1-CE2 3.25Å; N376-F396 WeakPolarHBondContact OD1-CE2 3.18Å; N376-F396 WeakPolarHBondContact OD1-CZ 3.09Å |
| 377 | Q | 91.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 173.5 | -68.7 | 174 | -16.9 | 0 | 0 | 111.2 | I269 A373 T374 L375 S380 G381 | I269-Q377 HydrophobicContact CD1-CB 3.9Å; A373-Q377 PolarHBondContact O-N 2.8Å; A373-Q377 VanDerWaalsContact O-N 3.13Å; T374-Q377 WeakPolarHBondContact O-CB 3.46Å; T374-Q377 PolarHBondContact O-N 3.27Å; T374-Q377 VanDerWaalsContact O-N 3.12Å; L375-Q377 VanDerWaalsContact C-N 3.32Å; L375-Q377 PolarHBondContact O-N 3.01Å; Q377-S380 PolarHBondContact O-N 3.08Å; Q377-G381 PolarHBondContact O-N 3.29Å |
| 378 | W | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 172 | 170 | 50.2 | 0 | 0 | 0 | 112.1 | Y250 I269 V292 L310 A363 C365 T374 L375 N376 S380 G381 L382 | Y250-W378 AromaticContact CD2-CD1 3.76Å; Y250-W378 AromaticContact CE2-CD1 3.56Å; Y250-W378 AromaticContact CE2-NE1 3.86Å; I269-W378 HydrophobicContact CG2-CB 3.75Å; I269-W378 HydrophobicContact CG2-CG 4.25Å; V292-W378 HydrophobicContact CG1-CZ3 4.09Å; V292-W378 HydrophobicContact CG2-CZ3 4.32Å; L310-W378 HydrophobicContact CB-CH2 3.71Å; L310-W378 HydrophobicContact CB-CZ2 4.45Å; L310-W378 HydrophobicContact CB-CZ3 4.35Å; A363-W378 HydrophobicContact CB-CH2 4.38Å; A363-W378 HydrophobicContact CB-CZ2 3.75Å; C365-W378 HydrophobicContact CB-CD2 3.48Å; C365-W378 VanDerWaalsContact CB-CD2 3.48Å; C365-W378 HydrophobicContact CB-CE3 3.81Å; C365-W378 HydrophobicContact CB-CG 4.01Å; C365-W378 HydrophobicContact CB-CH2 3.79Å; C365-W378 HydrophobicContact CB-CZ2 3.51Å; C365-W378 HydrophobicContact CB-CZ3 3.95Å; T374-W378 PolarHBondContact O-N 3.06Å; L375-W378 HydrophobicContact CD2-CE3 4.24Å; L375-W378 WeakPolarHBondContact O-CB 3.03Å; L375-W378 PolarHBondContact O-N 2.84Å; N376-W378 VanDerWaalsContact C-N 3.33Å; W378-S380 VanDerWaalsContact C-N 3.3Å; W378-S380 PolarHBondContact O-N 3.21Å; W378-G381 PolarHBondContact O-N 3.32Å; W378-G381 VanDerWaalsContact O-N 3.13Å; W378-L382 HydrophobicContact CZ2-CD2 4.43Å; W378-L382 WeakPolarHBondContact O-CB 3.39Å; W378-L382 PolarHBondContact O-N 3.45Å |
| 379 | I | 94.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 176.5 | -63.2 | -53.9 | 0 | 0 | 0 | 111.5 | V292 L310 L375 N376 G381 L382 Q383 T394 | V292-I379 HydrophobicContact CG2-CD1 3.89Å; V292-I379 HydrophobicContact CG2-CG1 4.19Å; L310-I379 HydrophobicContact CD1-CD1 3.86Å; L310-I379 HydrophobicContact CD2-CD1 4.33Å; L375-I379 WeakPolarHBondContact O-CG1 3.41Å; L375-I379 PolarHBondContact O-N 3.33Å; N376-I379 PolarHBondContact O-N 3.02Å; I379-G381 VanDerWaalsContact C-N 3.31Å; I379-G381 PolarHBondContact O-N 2.87Å; I379-L382 PolarHBondContact O-N 3.24Å; I379-Q383 PolarHBondContact O-N 3.41Å; I379-T394 HydrophobicContact CG2-CG2 4.12Å |
| 380 | S | 92.8 | Very high | 91 | Very high | 69 Ų | 69 | 49 Ų | 49 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | N376 Q377 W378 Q383 | N376-S380 WeakPolarHBondContact O-CB 3.25Å; N376-S380 PolarHBondContact O-N 3.39Å; N376-S380 PolarHBondContact O-OG 3.19Å; Q377-S380 PolarHBondContact O-N 3.08Å; W378-S380 VanDerWaalsContact C-N 3.3Å; W378-S380 PolarHBondContact O-N 3.21Å; S380-Q383 WeakPolarHBondContact O-CB 3.46Å |
| 381 | G | 91.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y250 Q377 W378 I379 Q383 Q384 | Y250-G381 WeakPolarHBondContact CE1-O 3.32Å; Q377-G381 PolarHBondContact O-N 3.29Å; W378-G381 PolarHBondContact O-N 3.32Å; W378-G381 VanDerWaalsContact O-N 3.13Å; I379-G381 VanDerWaalsContact C-N 3.31Å; I379-G381 PolarHBondContact O-N 2.87Å; G381-Q383 VanDerWaalsContact C-N 3.26Å; G381-Q383 PolarHBondContact O-N 3.03Å; G381-Q384 WeakPolarHBondContact O-CB 3.25Å; G381-Q384 PolarHBondContact O-N 3.17Å |
| 382 | L | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -30.9 | 178.3 | -165.2 | 66 | 0 | 0 | 0 | 112.3 | L310 A363 W378 I379 Q384 N385 N386 L389 | L310-L382 HydrophobicContact CD2-CD2 3.54Å; A363-L382 HydrophobicContact CB-CD1 4.29Å; A363-L382 HydrophobicContact CB-CD2 3.82Å; W378-L382 HydrophobicContact CZ2-CD2 4.43Å; W378-L382 WeakPolarHBondContact O-CB 3.39Å; W378-L382 PolarHBondContact O-N 3.45Å; I379-L382 PolarHBondContact O-N 3.24Å; L382-Q384 PolarHBondContact O-N 3.47Å; L382-N385 PolarHBondContact O-N 3.34Å; L382-N386 PolarHBondContact O-N 3.43Å; L382-N386 PolarHBondContact O-ND2 3.35Å; L382-L389 HydrophobicContact CB-CD1 4Å; L382-L389 HydrophobicContact CD2-CD1 3.72Å; L382-L389 HydrophobicContact CG-CD1 3.78Å |
| 383 | Q | 92.9 | Very high | 91.6 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -26.2 | 176.6 | -171.7 | -179.1 | -4 | 0 | 0 | 113.2 | I379 S380 G381 N385 N386 L389 G390 | I379-Q383 PolarHBondContact O-N 3.41Å; S380-Q383 WeakPolarHBondContact O-CB 3.46Å; G381-Q383 VanDerWaalsContact C-N 3.26Å; G381-Q383 PolarHBondContact O-N 3.03Å; Q383-N385 PolarHBondContact O-N 3.33Å; Q383-N386 WeakPolarHBondContact CA-O 3.21Å; Q383-N386 CarbonylContact O-C 3.56Å; Q383-N386 VanDerWaalsContact O-C 3.25Å; Q383-N386 PolarHBondContact O-N 2.94Å; Q383-L389 HydrophobicContact CB-CB 4.44Å; Q383-L389 HydrophobicContact CG-CB 4.43Å; Q383-G390 VanDerWaalsContact NE2-CA 3.33Å |
| 384 | Q | 90.8 | Very high | 91.7 | Very high | 161 Ų | 161 | 51 Ų | 51 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -35.7 | 177.1 | -61.7 | -178.1 | 6.3 | 0 | 0 | 111.9 | G381 L382 | G381-Q384 WeakPolarHBondContact O-CB 3.25Å; G381-Q384 PolarHBondContact O-N 3.17Å; L382-Q384 PolarHBondContact O-N 3.47Å |
| 385 | N | 89.4 | Confident | 91.7 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -28.7 | 176.5 | -64.3 | -21.7 | 0 | 0 | 0 | 111.9 | M278 L382 Q383 | M278-N385 HydrophobicContact CE-CB 3.88Å; L382-N385 PolarHBondContact O-N 3.34Å; Q383-N385 PolarHBondContact O-N 3.33Å |
| 386 | N | 91.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | trans | -124.1 | 86.3 | -175 | -57.4 | -61.5 | 0 | 0 | 0 | 111.1 | Q273 L281 L382 Q383 I388 L389 | Q273-N386 PolarHBondContact NE2-ND2 3Å; Q273-N386 VanDerWaalsContact NE2-ND2 3.15Å; Q273-N386 PolarHBondContact OE1-ND2 2.86Å; L281-N386 HydrophobicContact CD2-CB 3.71Å; L382-N386 PolarHBondContact O-N 3.43Å; L382-N386 PolarHBondContact O-ND2 3.35Å; Q383-N386 WeakPolarHBondContact CA-O 3.21Å; Q383-N386 CarbonylContact O-C 3.56Å; Q383-N386 VanDerWaalsContact O-C 3.25Å; Q383-N386 PolarHBondContact O-N 2.94Å; N386-I388 PolarHBondContact O-N 2.96Å; N386-I388 VanDerWaalsContact O-N 3.09Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.26Å | ||
| 387 | P | 91.4 | Very high | 91.6 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 66% | 0.662 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -65 | -19.7 | -174.1 | 25.6 | -34.9 | 0 | 0 | 0 | 113.6 | L389 G390 | P387-L389 PolarHBondContact O-N 2.98Å; P387-G390 PolarHBondContact O-N 3.47Å |
| 388 | I | 91.2 | Very high | 91.5 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -64.2 | -27 | 179.8 | -159.9 | 169.5 | 0 | 0 | 0 | 112.9 | L281 A282 H284 P286 N386 G390 R391 I392 | L281-I388 HydrophobicContact CD1-CG2 4.43Å; L281-I388 HydrophobicContact CG-CG2 3.92Å; L281-I388 WeakPolarHBondContact O-CG2 3.42Å; A282-I388 WeakPolarHBondContact O-CD1 3.48Å; H284-I388 WeakPolarHBondContact O-CD1 3.23Å; P286-I388 HydrophobicContact CG-CD1 4.4Å; P286-I388 HydrophobicContact CG-CG1 4.5Å; N386-I388 PolarHBondContact O-N 2.96Å; N386-I388 VanDerWaalsContact O-N 3.09Å; I388-G390 PolarHBondContact O-N 3.05Å; I388-G390 VanDerWaalsContact O-N 3.16Å; I388-R391 PolarHBondContact O-N 3.22Å; I388-I392 HydrophobicContact CB-CD1 4.33Å; I388-I392 HydrophobicContact CD1-CD1 4.38Å; I388-I392 HydrophobicContact CG1-CD1 3.84Å; I388-I392 HydrophobicContact CG1-CG1 4.29Å; I388-I392 HydrophobicContact CG2-CD1 3.94Å; I388-I392 WeakPolarHBondContact O-CG1 3.42Å; I388-I392 PolarHBondContact O-N 2.84Å |
| 389 | L | 90.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -61.5 | -23.5 | 176.3 | -70.1 | 174.8 | 0 | 0 | 0 | 113 | L281 L310 L382 Q383 N386 P387 R391 I392 | L281-L389 HydrophobicContact CD1-CD2 3.99Å; L281-L389 HydrophobicContact CD2-CD1 4.04Å; L281-L389 HydrophobicContact CD2-CD2 3.98Å; L281-L389 HydrophobicContact CD2-CG 3.94Å; L281-L389 HydrophobicContact CG-CD2 4.44Å; L310-L389 HydrophobicContact CD2-CD2 4.27Å; L382-L389 HydrophobicContact CB-CD1 4Å; L382-L389 HydrophobicContact CD2-CD1 3.72Å; L382-L389 HydrophobicContact CG-CD1 3.78Å; Q383-L389 HydrophobicContact CB-CB 4.44Å; Q383-L389 HydrophobicContact CG-CB 4.43Å; N386-L389 HydrophobicContact CB-CD1 4.07Å; N386-L389 HydrophobicContact CB-CG 4.28Å; N386-L389 PolarHBondContact O-N 3.26Å; P387-L389 PolarHBondContact O-N 2.98Å; L389-R391 PolarHBondContact O-N 3.16Å; L389-I392 HydrophobicContact CD2-CD1 4.45Å |
| 390 | G | 88.8 | Confident | 89 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -71.9 | -13.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q383 P387 I388 | Q383-G390 VanDerWaalsContact NE2-CA 3.33Å; P387-G390 PolarHBondContact O-N 3.47Å; I388-G390 PolarHBondContact O-N 3.05Å; I388-G390 VanDerWaalsContact O-N 3.16Å |
| 391 | R | 89.7 | Confident | 86.8 | Confident | 205 Ų | 205 | 66.4 Ų | 66.4 | 77% | 0.774 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -24.6 | 178.3 | -61.1 | -178.1 | -177.4 | 175.2 | 1.3 | 112.6 | P286 I388 L389 | P286-R391 HydrophobicContact CB-CB 4.44Å; I388-R391 PolarHBondContact O-N 3.22Å; L389-R391 PolarHBondContact O-N 3.16Å |
| 392 | I | 92.1 | Very high | 84.6 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -85.4 | 131.9 | -177.5 | -60.9 | 157.2 | 0 | 0 | 0 | 109.7 | L281 P286 R288 V290 I388 L389 T394 | L281-I392 HydrophobicContact CD1-CD1 4.37Å; P286-I392 HydrophobicContact CB-CG1 4.47Å; R288-I392 WeakPolarHBondContact O-CG2 3.43Å; V290-I392 HydrophobicContact CB-CG2 4.43Å; V290-I392 HydrophobicContact CG2-CD1 4.38Å; V290-I392 HydrophobicContact CG2-CG2 3.59Å; I388-I392 HydrophobicContact CB-CD1 4.33Å; I388-I392 HydrophobicContact CD1-CD1 4.38Å; I388-I392 HydrophobicContact CG1-CD1 3.84Å; I388-I392 HydrophobicContact CG1-CG1 4.29Å; I388-I392 HydrophobicContact CG2-CD1 3.94Å; I388-I392 WeakPolarHBondContact O-CG1 3.42Å; I388-I392 PolarHBondContact O-N 2.84Å; L389-I392 HydrophobicContact CD2-CD1 4.45Å; I392-T394 PolarHBondContact O-N 3.11Å |
| 393 | P | 91 | Very high | 82.3 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 123 | 170.2 | 22.5 | -29.1 | 0 | 0 | 0 | 111 | P289 V290 | P289-P393 CarbonylContact C-O 3.52Å; P289-P393 WeakPolarHBondContact CA-O 3.43Å; P289-P393 HydrophobicContact CB-CB 4.39Å; P289-P393 HydrophobicContact CB-CG 3.99Å; P289-P393 VanDerWaalsContact CB-O 3.29Å; P289-P393 WeakPolarHBondContact CB-O 2.95Å; V290-P393 PolarHBondContact N-O 3.37Å |
| 394 | T | 92.1 | Very high | 79.9 | Confident | 39 Ų | 39 | 84.4 Ų | 84.4 | 24% | 0.239 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.4 | 173.7 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | V290 I379 I392 | V290-T394 WeakPolarHBondContact O-CA 3.43Å; I379-T394 HydrophobicContact CG2-CG2 4.12Å; I392-T394 PolarHBondContact O-N 3.11Å |
| 395 | L | 92.6 | Very high | 77.6 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 44% | 0.44 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.7 | -179.4 | -64.8 | 177.5 | 0 | 0 | 0 | 109.9 | P289 V290 F291 V292 | P289-L395 HydrophobicContact CB-CD1 3.75Å; P289-L395 HydrophobicContact CB-CG 4.1Å; P289-L395 HydrophobicContact CG-CD1 4.04Å; V290-L395 PolarHBondContact O-N 2.95Å; F291-L395 CarbonylContact C-O 3.55Å; F291-L395 VanDerWaalsContact CA-O 3.26Å; F291-L395 WeakPolarHBondContact CA-O 3.48Å; F291-L395 HydrophobicContact CD1-CB 3.7Å; F291-L395 HydrophobicContact CD1-CD1 4.26Å; F291-L395 HydrophobicContact CE1-CB 3.9Å; F291-L395 HydrophobicContact CE1-CD1 3.55Å; F291-L395 HydrophobicContact CE1-CG 4.31Å; F291-L395 HydrophobicContact CZ-CD1 4.31Å; V292-L395 PolarHBondContact N-O 3.08Å |
| 396 | F | 92 | Very high | 75 | Confident | 43 Ų | 43 | 84.8 Ų | 84.8 | 19% | 0.189 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.4 | -178.8 | -67.2 | -86.5 | 0 | 0 | 0 | 109.5 | V292 Q372 L375 N376 L398 | V292-F396 HydrophobicContact CB-CD1 3.72Å; V292-F396 HydrophobicContact CB-CE1 3.93Å; V292-F396 HydrophobicContact CG1-CD1 4.07Å; V292-F396 HydrophobicContact CG1-CE1 4.2Å; V292-F396 HydrophobicContact CG2-CD1 4.12Å; V292-F396 HydrophobicContact CG2-CE1 3.83Å; Q372-F396 HydrophobicContact CG-CB 4.41Å; Q372-F396 HydrophobicContact CG-CD1 4.18Å; Q372-F396 HydrophobicContact CG-CD2 3.74Å; Q372-F396 HydrophobicContact CG-CE1 4.46Å; Q372-F396 HydrophobicContact CG-CE2 4.04Å; Q372-F396 HydrophobicContact CG-CG 3.83Å; Q372-F396 HydrophobicContact CG-CZ 4.39Å; L375-F396 HydrophobicContact CB-CD1 4.25Å; L375-F396 HydrophobicContact CB-CE1 3.63Å; L375-F396 HydrophobicContact CD1-CD1 4.44Å; N376-F396 HydrophobicContact CB-CZ 4.45Å; N376-F396 VanDerWaalsContact OD1-CE2 3.25Å; N376-F396 WeakPolarHBondContact OD1-CE2 3.18Å; N376-F396 WeakPolarHBondContact OD1-CZ 3.09Å; F396-L398 HydrophobicContact CB-CD1 4.44Å; F396-L398 HydrophobicContact CB-CG 4.18Å |
| 397 | R | 90.4 | Very high | 72.2 | Confident | 104 Ų | 104 | 87.6 Ų | 87.6 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 70.7 | 171.3 | -69.8 | 179.9 | -179.2 | 163.4 | 0.8 | 107.5 | F291 V292 E293 D313 D399 | F291-R397 HydrophobicContact CD1-CG 4.05Å; F291-R397 VanDerWaalsContact CE1-CZ 3.45Å; V292-R397 CarbonylContact O-C 3.47Å; V292-R397 PolarHBondContact O-N 3.2Å; E293-R397 HydrophobicContact CG-CB 4.04Å; E293-R397 WeakPolarHBondContact OE1-CD 3.32Å; E293-R397 IonicContact OE1-CZ 2.79Å; E293-R397 IonicContact OE1-NH1 2.94Å; E293-R397 PolarHBondContact OE1-NH1 2.91Å; D313-R397 IonicContact OD1-NH2 3.73Å; R397-D399 PolarHBondContact O-N 2.81Å |
| 398 | L | 88.2 | Confident | 69.3 | Low | 59 Ų | 59 | 90.7 Ų | 90.7 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.9 | 177.6 | -55 | 177.5 | 0 | 0 | 0 | 107.6 | G294 Y308 Q372 L375 F396 | G294-L398 WeakPolarHBondContact O-CA 3.2Å; Y308-L398 HydrophobicContact CD1-CD2 4.22Å; Y308-L398 HydrophobicContact CE1-CD2 4.24Å; Q372-L398 HydrophobicContact CB-CD1 4.25Å; L375-L398 HydrophobicContact CD1-CD1 4.04Å; L375-L398 HydrophobicContact CD1-CD2 3.44Å; L375-L398 VanDerWaalsContact CD1-CD2 3.44Å; L375-L398 HydrophobicContact CD1-CG 4.38Å; F396-L398 HydrophobicContact CB-CD1 4.44Å; F396-L398 HydrophobicContact CB-CG 4.18Å |
| 399 | D | 76.9 | Confident | 66.6 | Low | 117 Ų | 117 | 92.8 Ų | 92.8 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | trans | -66.8 | 136.4 | 169.3 | -74.2 | -28.4 | 0 | 0 | 0 | 107.8 | G294 P295 R397 G401 | G294-D399 PolarHBondContact O-N 3.29Å; P295-D399 VanDerWaalsContact CD-O 3.26Å; P295-D399 WeakPolarHBondContact CD-O 3.13Å; R397-D399 PolarHBondContact O-N 2.81Å; D399-G401 PolarHBondContact O-N 3.15Å | ||
| 400 | A | 59.1 | Low | 64 | Low | 111 Ų | 111 | 100 Ų | 100 | 92% | 0.917 | 56% | 0.557 | S | S | * | * | trans | -70.3 | 25.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T402 | A400-T402 PolarHBondContact O-N 3.13Š| ||
| 401 | G | 48.4 | Very low | 61.1 | Low | 33 Ų | 33 | 104 Ų | 104 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | trans | -71.3 | 114.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D399 | D399-G401 PolarHBondContact O-N 3.15Š| ||
| 402 | T | 44.6 | Very low | 58.2 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 55% | 0.546 | 58% | 0.581 | S | S | . | * | trans | 48.9 | 73.3 | 162.7 | 26.2 | 0 | 0 | 0 | 0 | 116.8 | A400 E404 | A400-T402 PolarHBondContact O-N 3.13Å; T402-E404 HydrophobicContact CG2-CB 4.3Å; T402-E404 HydrophobicContact CG2-CG 4.37Å; T402-E404 PolarHBondContact O-N 3.1Å | ||
| 403 | R | 43.7 | Very low | 55.2 | Low | 216 Ų | 216 | 107 Ų | 107 | 82% | 0.815 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -60.2 | 1.3 | 154.5 | -78.9 | -177.5 | 173 | 173.2 | -2.8 | 114.3 | L405 | R403-L405 PolarHBondContact O-N 2.68Å; R403-L405 VanDerWaalsContact O-N 3.11Å |
| 404 | E | 42.1 | Very low | 52.2 | Low | 166 Ų | 166 | 107.7 Ų | 107.7 | 78% | 0.776 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -73.3 | 0.4 | -167.8 | -72 | -170.2 | 153.5 | 0 | 0 | 116.1 | T402 | T402-E404 HydrophobicContact CG2-CB 4.3Å; T402-E404 HydrophobicContact CG2-CG 4.37Å; T402-E404 PolarHBondContact O-N 3.1Å |
| 405 | L | 42.9 | Very low | 49 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -128.9 | 3.2 | -178.6 | -65.7 | 172.9 | 0 | 0 | 0 | 115 | W299 R403 G407 | W299-L405 HydrophobicContact CH2-CD1 4.25Å; W299-L405 HydrophobicContact CZ2-CD1 4.1Å; R403-L405 PolarHBondContact O-N 2.68Å; R403-L405 VanDerWaalsContact O-N 3.11Å; L405-G407 PolarHBondContact O-N 2.8Å |
| 406 | E | 35.1 | Very low | 45.9 | Very low | 131 Ų | 131 | 116 Ų | 116 | 61% | 0.612 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -76.3 | 120.7 | 158.6 | -73.3 | -179.7 | 173.5 | 0 | 0 | 107.1 | ||
| 407 | G | 33.2 | Very low | 42.7 | Very low | 65 Ų | 65 | 123.1 Ų | 123.1 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | -55.2 | 150.9 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L405 A409 | L405-G407 PolarHBondContact O-N 2.8Å; G407-A409 PolarHBondContact O-N 3.4Å | ||
| 408 | V | 29.8 | Very low | 39.6 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 100% | 1.006 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -61 | 70.2 | 156.8 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 409 | A | 35.9 | Very low | 36.7 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | trans | -129.2 | 119.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | G407 | G407-A409 PolarHBondContact O-N 3.4Š| ||
| 410 | D | 34.8 | Very low | 34.4 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 83.7 | 64 | 173.4 | -48.9 | -29.6 | 0 | 0 | 0 | 117.5 | ||
| 411 | T | 28.6 | Very low | 33 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | -150.6 | 64.5 | 138 | -33.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 412 | E | 29.6 | Very low | 31.9 | Very low | 208 Ų | 208 | 137.7 Ų | 137.7 | 97% | 0.972 | 78% | 0.776 | S | S | * | * | trans | -93.2 | 76.9 | 149.5 | -78.1 | -167.2 | 171.9 | 0 | 0 | 108.2 | ||||
| 413 | A | 27.5 | Very low | 31.1 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 56% | 0.562 | 79% | 0.79 | S | S | * | * | trans | -125.5 | 111.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | H415 | A413-H415 PolarHBondContact O-N 3.34Š| ||
| 414 | G | 28.7 | Very low | 30.3 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -58.6 | 123.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 415 | H | 25.8 | Very low | 29.5 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -115.9 | 112.2 | 160.2 | -82.4 | -60.7 | 0 | 0 | 0 | 110.2 | A413 H417 | A413-H415 PolarHBondContact O-N 3.34Å; H415-H417 PolarHBondContact O-N 2.95Å | ||
| 416 | S | 26.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -57.8 | 114.9 | 171.2 | -28.4 | 0 | 0 | 0 | 0 | 110 | Q418 | S416-Q418 PolarHBondContact O-N 3.07Š| ||
| 417 | H | 25.2 | Very low | 28.3 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -79.1 | 105.5 | 168.5 | -83.8 | -65 | 0 | 0 | 0 | 110.4 | H415 | H415-H417 PolarHBondContact O-N 2.95Š| ||
| 418 | Q | 24.5 | Very low | 28 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 133.1 | 157.6 | -121.5 | 176.5 | -12.2 | 0 | 0 | 108.2 | S416 | S416-Q418 PolarHBondContact O-N 3.07Š|
| 419 | P | 28.8 | Very low | 28 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 147.4 | 176.5 | 29.7 | -31.3 | 0 | 0 | 0 | 111 | ||
| 420 | P | 29.1 | Very low | 28 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 151 | -176.7 | 28.8 | -33.1 | 0 | 0 | 0 | 112.5 | ||
| 421 | P | 28.9 | Very low | 27.7 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 134.9 | -176.2 | 30.9 | -32.1 | 0 | 0 | 0 | 112.3 | ||
| 422 | Q | 25 | Very low | 27.7 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 118.1 | 168 | -69.8 | 174.3 | -21.7 | 0 | 0 | 109.7 | ||
| 423 | S | 28.3 | Very low | 27.6 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -84 | 115.6 | 164.9 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 424 | Q | 26.8 | Very low | 27.7 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -69.6 | 150.3 | 166.3 | -65.8 | 174.8 | -22.7 | 0 | 0 | 111.8 | ||||
| 425 | R | 25.6 | Very low | 27.7 | Very low | 220 Ų | 220 | 151.4 Ų | 151.4 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | trans | 157.5 | 136.7 | 141.3 | -86.8 | 177.7 | -166.2 | -164.4 | 2.5 | 107.2 | ||||
| 426 | E | 27.8 | Very low | 27.9 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | cis | -165.4 | 150.5 | 5.4 | -123.8 | 159.5 | -157.4 | 0 | 0 | 106.8 | ||||
| 427 | D | 24.6 | Very low | 27.9 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -63.6 | 146.6 | 176.5 | -71.4 | -56.7 | 0 | 0 | 0 | 113.5 | ||||
| 428 | G | 25.8 | Very low | 28.2 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -158.8 | 100.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 429 | L | 30.1 | Very low | 28.4 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -68.8 | 169.5 | -179.3 | -86 | 163.1 | 0 | 0 | 0 | 113.9 | ||||
| 430 | P | 36.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | trans | -98.1 | 167.5 | -152.3 | 39.5 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 431 | A | 28.8 | Very low | 28.4 | Very low | 104 Ų | 104 | 151 Ų | 151 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -131.9 | 132.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 432 | E | 28.2 | Very low | 28.4 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 81% | 0.808 | 84% | 0.84 | S | S | * | * | trans | -78.4 | 165 | -177.2 | -70.7 | 179.2 | 142.6 | 0 | 0 | 114.1 | ||||
| 433 | D | 27.9 | Very low | 29.2 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 83% | 0.828 | S | S | * | * | trans | 69.6 | 115.9 | 151.1 | -62.3 | -16.8 | 0 | 0 | 0 | 120.8 | ||||
| 434 | S | 29.8 | Very low | 29.2 | Very low | 122 Ų | 122 | 155.5 Ų | 155.5 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | 169.3 | 139.6 | 88.7 | 37.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 435 | E | 28 | Very low | 29.3 | Very low | 195 Ų | 195 | 157.9 Ų | 157.9 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -67.8 | 147.6 | 174.3 | -60.1 | 173 | 141.7 | 0 | 0 | 112.8 | ||||
| 436 | A | 29.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | -168.2 | 119.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 437 | A | 27.5 | Very low | 29.8 | Very low | 96 Ų | 96 | 155.7 Ų | 155.7 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -83.5 | 149.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 438 | V | 30.9 | Very low | 29.9 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 79% | 0.788 | 83% | 0.834 | S | S | * | * | trans | -153.3 | 111.9 | 145.5 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 439 | E | 29.3 | Very low | 30.3 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 81% | 0.808 | 84% | 0.836 | S | S | * | * | trans | 43.8 | 116.1 | 137.8 | -59.2 | -179.7 | 169.4 | 0 | 0 | 120.8 | ||||
| 440 | E | 29 | Very low | 30.7 | Very low | 190 Ų | 190 | 157.2 Ų | 157.2 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | 64.6 | 108.1 | 90.3 | -76.2 | -158.8 | 172 | 0 | 0 | 115.8 | |||||
| 441 | E | 27.2 | Very low | 30.8 | Very low | 200 Ų | 200 | 164.5 Ų | 164.5 | 94% | 0.935 | 86% | 0.858 | S | S | * | * | -169.3 | 131 | 116.6 | -112 | -162.2 | 167.4 | 0 | 0 | 111.2 | |||||
| 442 | E | 29.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 167.5 Ų | 167.5 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | -100.8 | -161.4 | 174.1 | -146.3 | -164.1 | -156.3 | 0 | 0 | 109 | ||||
| 443 | P | 42 | Very low | 31 | Very low | 99 Ų | 99 | 167.2 Ų | 167.2 | 64% | 0.643 | 86% | 0.86 | S | S | * | * | -103 | 173.5 | -98.1 | 29.7 | -9.4 | 0 | 0 | 0 | 114.9 | |||||
| 444 | R | 27.6 | Very low | 31.2 | Very low | 259 Ų | 259 | 168.7 Ų | 168.7 | 98% | 0.977 | 87% | 0.866 | S | S | * | * | trans | -122.6 | 105.9 | 158.4 | -78.8 | -170.3 | 178.4 | 174.8 | 2.1 | 112.8 | ||||
| 445 | R | 29.3 | Very low | 31.3 | Very low | 234 Ų | 234 | 171.5 Ų | 171.5 | 88% | 0.883 | 87% | 0.867 | S | S | * | * | trans | -82.1 | 150.5 | 161.7 | -98.6 | -179.4 | 173.3 | 178.3 | 0.4 | 110.9 | ||||
| 446 | S | 30.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 170 Ų | 170 | 73% | 0.727 | 87% | 0.865 | S | S | * | * | trans | 106.3 | 116.4 | 132.7 | 79.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 447 | R | 33.8 | Very low | 31.7 | Very low | 232 Ų | 232 | 174.3 Ų | 174.3 | 88% | 0.875 | 86% | 0.864 | S | S | * | * | 62.9 | 109.8 | 121.8 | -72.3 | -178.5 | 168.3 | -179.1 | -4.2 | 118.9 | |||||
| 448 | G | 27.3 | Very low | 31.9 | Very low | 84 Ų | 84 | 179.9 Ų | 179.9 | 87% | 0.866 | 87% | 0.869 | S | S | * | * | trans | -77.1 | 129.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 449 | M | 33.2 | Very low | 32 | Very low | 168 Ų | 168 | 183.8 Ų | 183.8 | 83% | 0.828 | 88% | 0.876 | S | S | * | * | trans | -100 | 153.8 | 169.2 | -83.5 | 170.2 | 68.9 | 0 | 0 | 110.5 | ||||
| 450 | K | 39.7 | Very low | 32.3 | Very low | 203 Ų | 203 | 184.7 Ų | 184.7 | 88% | 0.883 | 88% | 0.881 | S | S | * | * | trans | 159.5 | 127.5 | 131.6 | -85.9 | 165.9 | -176.1 | -174.2 | 0 | 106.3 | ||||
| 451 | Q | 37.7 | Very low | 32.6 | Very low | 268 Ų | 268 | 184.2 Ų | 184.2 | 100% | 1.252 | 88% | 0.881 | S | S | * | * | cis | -136.4 | 0 | 28.5 | -71.4 | 175.9 | -26.5 | 0 | 0 | 111.9 |
Retrieved 451 of 451 residues in 728.8 ms
(Link to these results)