| 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 | 27.2 | Very low | 32.4 | Very low | 237 Ų | 237 | 165.4 Ų | 165.4 | 100% | 1.167 | 86% | 0.857 | S | S | * | * | 0 | 150.1 | 0 | -71.6 | -53.7 | 177.8 | 0 | 0 | 109.2 | |||||
| 2 | P | 44.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 162.4 Ų | 162.4 | 79% | 0.786 | 85% | 0.851 | S | S | * | * | -102.9 | 167.4 | -116 | 36.4 | -39.1 | 0 | 0 | 0 | 115.5 | |||||
| 3 | R | 30.2 | Very low | 32.1 | Very low | 246 Ų | 246 | 156.7 Ų | 156.7 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -133.3 | 130.1 | 156.8 | -109.7 | -175.5 | 148 | 99.4 | 0.1 | 110.6 | ||||
| 4 | A | 33.2 | Very low | 32.2 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -75.6 | 151.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 5 | F | 30.7 | Very low | 31.9 | Very low | 214 Ų | 214 | 149.3 Ų | 149.3 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -70.9 | 130.6 | 172.2 | -82.4 | -95.9 | 0 | 0 | 0 | 111.1 | ||||
| 6 | L | 32.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 72% | 0.723 | 83% | 0.834 | S | S | * | * | trans | -105.2 | 107.9 | -174.5 | -155.1 | 161.1 | 0 | 0 | 0 | 109.1 | K8 | L6-K8 HydrophobicContact CD2-CD 4.41Å; L6-K8 HydrophobicContact CD2-CG 3.98Å; L6-K8 PolarHBondContact O-N 3.35Å | ||
| 7 | V | 35.3 | Very low | 32.4 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -67.6 | 119.8 | 176 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 8 | K | 32.6 | Very low | 32.1 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -122.4 | 120.7 | 164.7 | -85.8 | -179.6 | 174 | 178.2 | 0 | 110.2 | L6 | L6-K8 HydrophobicContact CD2-CD 4.41Å; L6-K8 HydrophobicContact CD2-CG 3.98Å; L6-K8 PolarHBondContact O-N 3.35Å | ||
| 9 | K | 31.2 | Very low | 32 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 90% | 0.9 | 83% | 0.831 | S | S | * | * | trans | -66.3 | 132.1 | 169.2 | -70.8 | 172.9 | 173.6 | 174.2 | 0 | 109.2 | ||||
| 10 | A | 30.7 | Very low | 32.1 | Very low | 96 Ų | 96 | 157 Ų | 157 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -105.2 | 113.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 11 | N | 28.1 | Very low | 32.3 | Very low | 147 Ų | 147 | 157.8 Ų | 157.8 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -91.4 | 122 | 169.6 | -179.8 | 19.6 | 0 | 0 | 0 | 107.6 | ||||
| 12 | V | 32.3 | Very low | 32.6 | Very low | 130 Ų | 130 | 154.1 Ų | 154.1 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -128.8 | 114 | 174.2 | 178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 13 | S | 29 | Very low | 32.1 | Very low | 88 Ų | 88 | 154.2 Ų | 154.2 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | trans | -69.7 | 161.5 | -178.4 | -58.3 | 0 | 0 | 0 | 0 | 113 | G15 | S13-G15 PolarHBondContact O-N 2.89Š| ||
| 14 | P | 33 | Very low | 32.5 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 113.2 | -177 | -13.2 | 28.8 | 0 | 0 | 0 | 111.9 | ||||
| 15 | G | 29 | Very low | 33 | Very low | 71 Ų | 71 | 153.2 Ų | 153.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 127.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S13 R17 | S13-G15 PolarHBondContact O-N 2.89Å; G15-R17 PolarHBondContact O-N 3.17Å | ||
| 16 | K | 35.7 | Very low | 33.2 | Very low | 212 Ų | 212 | 151 Ų | 151 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | -58.4 | 125.1 | 172.2 | -60.5 | 170.4 | -178.6 | 175.9 | 0 | 109.2 | ||||
| 17 | R | 36.1 | Very low | 33.3 | Very low | 226 Ų | 226 | 154.7 Ų | 154.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -108.5 | 129.1 | 161.4 | -91.9 | -171.7 | -84.8 | -166.1 | -4.5 | 109.7 | G15 | G15-R17 PolarHBondContact O-N 3.17Š| ||
| 18 | N | 25.9 | Very low | 33 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 136.9 | -178.1 | -166 | 15 | 0 | 0 | 0 | 109.5 | S20 | N18-S20 VanDerWaalsContact C-N 3.32Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-S20 PolarHBondContact OD1-OG 3.04Å | ||
| 19 | W | 31.7 | Very low | 33 | Very low | 248 Ų | 248 | 149.3 Ų | 149.3 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 19.5 | -174.7 | -81.1 | 88 | 0 | 0 | 0 | 113.4 | ||
| 20 | S | 32.4 | Very low | 33 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -11.7 | -173.6 | -53.2 | 0 | 0 | 0 | 0 | 115.1 | N18 | N18-S20 VanDerWaalsContact C-N 3.32Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-S20 PolarHBondContact OD1-OG 3.04Å |
| 21 | E | 36.3 | Very low | 32.8 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -139.5 | 64.8 | -168.4 | -62.8 | -168.4 | 121.7 | 0 | 0 | 113.3 | ||||
| 22 | L | 34.9 | Very low | 33.3 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -135.2 | 141.7 | 160.8 | -95 | 100.4 | 0 | 0 | 0 | 111.5 | ||||
| 23 | P | 33.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -78.1 | 162.6 | -171 | -15 | 32 | 0 | 0 | 0 | 115.6 | H25 | P23-H25 VanDerWaalsContact C-N 3.34Å; P23-H25 PolarHBondContact O-N 3.07Å | ||
| 24 | D | 37 | Very low | 33.3 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -69.7 | 74 | 178.2 | -116.4 | -63.5 | 0 | 0 | 0 | 113.5 | ||
| 25 | H | 44.4 | Very low | 33 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | trans | -155.7 | 102.3 | 155.8 | -173.8 | -76 | 0 | 0 | 0 | 110.8 | P23 | P23-H25 VanDerWaalsContact C-N 3.34Å; P23-H25 PolarHBondContact O-N 3.07Å | ||
| 26 | E | 34.3 | Very low | 33.3 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -173.3 | 42.8 | 156.6 | -98 | -77.7 | 91 | 0 | 0 | 109.5 | G28 | E26-G28 VanDerWaalsContact C-N 3.27Å; E26-G28 PolarHBondContact O-N 2.74Å | ||
| 27 | R | 35.5 | Very low | 33 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | -75.6 | 91.1 | 157.2 | -70.1 | -171.6 | -160.7 | -167.8 | 7.5 | 106.6 | D29 | R27-D29 PolarHBondContact O-N 2.77Š| ||
| 28 | G | 29.3 | Very low | 32.9 | Very low | 62 Ų | 62 | 142.6 Ų | 142.6 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | -66.8 | 64.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E26 V30 | E26-G28 VanDerWaalsContact C-N 3.27Å; E26-G28 PolarHBondContact O-N 2.74Å; G28-V30 VanDerWaalsContact C-N 3.34Å; G28-V30 PolarHBondContact O-N 3.2Å | ||
| 29 | D | 31.6 | Very low | 33.1 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 94.3 | 164.7 | -86.6 | -48.1 | 0 | 0 | 0 | 108.3 | R27 Y31 | R27-D29 PolarHBondContact O-N 2.77Å; D29-Y31 PolarHBondContact O-N 3.46Å | ||
| 30 | V | 31.3 | Very low | 33.1 | Very low | 112 Ų | 112 | 138 Ų | 138 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | trans | -64.7 | 90.9 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | G28 I32 | G28-V30 VanDerWaalsContact C-N 3.34Å; G28-V30 PolarHBondContact O-N 3.2Å; V30-I32 HydrophobicContact CG1-CG1 4.38Å; V30-I32 PolarHBondContact O-N 3.01Å | ||
| 31 | Y | 27.9 | Very low | 33 | Very low | 211 Ų | 211 | 137 Ų | 137 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -66.6 | 108 | 171.2 | -145.6 | -89.4 | 0 | 0 | 0 | 107.6 | D29 P33 | D29-Y31 PolarHBondContact O-N 3.46Å; Y31-P33 WeakPolarHBondContact O-CD 3.35Å | ||
| 32 | I | 37.1 | Very low | 32.7 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 46% | 0.462 | 75% | 0.747 | S | S | . | * | trans | -91 | 109.7 | 168.8 | -59.1 | 176.2 | 0 | 0 | 0 | 105.1 | V30 V34 | V30-I32 HydrophobicContact CG1-CG1 4.38Å; V30-I32 PolarHBondContact O-N 3.01Å; I32-V34 PolarHBondContact O-N 3.19Å | ||
| 33 | P | 29.5 | Very low | 32.4 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | trans | -65.7 | 110.6 | 176.1 | 26.8 | -32.6 | 0 | 0 | 0 | 108.7 | Y31 S35 | Y31-P33 WeakPolarHBondContact O-CD 3.35Å; P33-S35 VanDerWaalsContact C-N 3.27Å; P33-S35 PolarHBondContact O-N 3.41Å; P33-S35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | V | 31.6 | Very low | 32.2 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -84.4 | 82.5 | 166.7 | -175.4 | 0 | 0 | 0 | 0 | 106.3 | I32 I36 | I32-V34 PolarHBondContact O-N 3.19Å; V34-I36 HydrophobicContact CG1-CG1 4.06Å; V34-I36 PolarHBondContact O-N 3.41Å | ||
| 35 | S | 28.1 | Very low | 31.8 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | -66.4 | 94.7 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | P33 F37 | P33-S35 VanDerWaalsContact C-N 3.27Å; P33-S35 PolarHBondContact O-N 3.41Å; P33-S35 VanDerWaalsContact O-N 3.17Å; S35-F37 PolarHBondContact O-N 3.23Å | ||
| 36 | I | 35.4 | Very low | 31 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -82.6 | 100.3 | 170.3 | -56.5 | 175.3 | 0 | 0 | 0 | 106.9 | V34 | V34-I36 HydrophobicContact CG1-CG1 4.06Å; V34-I36 PolarHBondContact O-N 3.41Å | ||
| 37 | F | 29 | Very low | 30.6 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -104.5 | 138.3 | 162.5 | -82.9 | -80.3 | 0 | 0 | 0 | 109.5 | S35 | S35-F37 PolarHBondContact O-N 3.23Š| ||
| 38 | P | 34.8 | Very low | 30.1 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -75.8 | 148 | 173.8 | 33.5 | -33.3 | 0 | 0 | 0 | 109.4 | ||||
| 39 | N | 29.6 | Very low | 30.1 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -136.5 | 120.5 | 154.3 | -158.7 | 7 | 0 | 0 | 0 | 110.9 | ||||
| 40 | S | 31.6 | Very low | 30.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -109.1 | 121.4 | 169.3 | 50.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 41 | G | 29.4 | Very low | 30.4 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 170.7 | 108.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 42 | L | 31.7 | Very low | 30.5 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -39.2 | 149.7 | 175.4 | -77.8 | 60.9 | 0 | 0 | 0 | 115.6 | ||||
| 43 | M | 28.1 | Very low | 30.2 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -148.6 | 119.8 | 112.1 | -90.4 | -50.5 | 137.9 | 0 | 0 | 111.9 | |||||
| 44 | T | 28.4 | Very low | 30.2 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 40.8 | 134.2 | 144.8 | 53.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 45 | E | 28.3 | Very low | 30.4 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -72.8 | 145.9 | 175.6 | -58 | 160.1 | 121.4 | 0 | 0 | 113.5 | ||||
| 46 | V | 28.3 | Very low | 30.5 | Very low | 146 Ų | 146 | 134 Ų | 134 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -139.2 | 124.4 | 146.4 | 169.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 47 | E | 26.8 | Very low | 30.4 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 136.1 | 176.2 | -74 | -156.3 | 98.3 | 0 | 0 | 112.7 | ||||
| 48 | A | 25.3 | Very low | 30.5 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -160.6 | 124.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 49 | S | 29.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -147.6 | 163.8 | 177.9 | -151.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 50 | P | 41.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -123.4 | 163.3 | -13.9 | 35.5 | -20.4 | 0 | 0 | 0 | 113.2 | ||||
| 51 | A | 26.3 | Very low | 30.3 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -149.6 | 82.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112 | T53 | A51-T53 PolarHBondContact O-N 2.8Š| ||
| 52 | E | 29.6 | Very low | 30 | Very low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -6 | 104.5 | 155.3 | -64.6 | -69.9 | 97.9 | 0 | 0 | 116.8 | ||||
| 53 | T | 31.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -154.2 | 99.6 | 150.1 | 24.4 | 0 | 0 | 0 | 0 | 110.9 | A51 | A51-T53 PolarHBondContact O-N 2.8Š| ||
| 54 | G | 29.5 | Very low | 29.6 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -67.5 | 152.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | L56 | G54-L56 PolarHBondContact O-N 3.25Å; G54-L56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | P | 36.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -73.4 | 105 | -174.2 | 28.4 | -34.2 | 0 | 0 | 0 | 112.5 | C57 | P55-C57 PolarHBondContact O-N 3.34Š| ||
| 56 | L | 30.3 | Very low | 29.5 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -59.3 | 118.4 | 169.2 | -71.3 | 175.3 | 0 | 0 | 0 | 110.8 | G54 L58 | G54-L56 PolarHBondContact O-N 3.25Å; G54-L56 VanDerWaalsContact O-N 3.09Å; L56-L58 PolarHBondContact O-N 3.41Å | ||
| 57 | C | 32 | Very low | 29.6 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 54% | 0.541 | 78% | 0.779 | S | S | . | * | trans | -69.1 | 88 | 172.9 | -79.9 | 0 | 0 | 0 | 0 | 111.2 | P55 T59 | P55-C57 PolarHBondContact O-N 3.34Å; C57-T59 VanDerWaalsContact C-N 3.3Å; C57-T59 PolarHBondContact O-N 2.85Å | ||
| 58 | L | 31.1 | Very low | 29.6 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -65.6 | 84.8 | 171.7 | -85.3 | 97 | 0 | 0 | 0 | 112.1 | L56 K60 | L56-L58 PolarHBondContact O-N 3.41Å; L58-K60 PolarHBondContact O-N 2.85Å | ||
| 59 | T | 34.3 | Very low | 29.8 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 51% | 0.509 | 77% | 0.772 | S | S | . | * | trans | -72.5 | 110.4 | 157 | 38.5 | 0 | 0 | 0 | 0 | 109.2 | C57 H61 | C57-T59 VanDerWaalsContact C-N 3.3Å; C57-T59 PolarHBondContact O-N 2.85Å; T59-H61 PolarHBondContact O-N 2.8Å | ||
| 60 | K | 27.8 | Very low | 29.9 | Very low | 206 Ų | 206 | 133 Ų | 133 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 103.3 | 171.1 | -68.7 | -175.6 | 175.9 | -172.8 | 0 | 110 | L58 | L58-K60 PolarHBondContact O-N 2.85Š| ||
| 61 | H | 29.7 | Very low | 29.6 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -84.6 | 137.6 | 164.4 | -83 | -97.8 | 0 | 0 | 0 | 110.3 | T59 | T59-H61 PolarHBondContact O-N 2.8Š| ||
| 62 | S | 23.2 | Very low | 29.7 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -119.1 | 106.1 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 63 | S | 25.3 | Very low | 29.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 177.1 | 128.5 | 161.6 | -87 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 64 | S | 26.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 73.5 | 108.9 | 60.3 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 65 | D | 26.4 | Very low | 29.5 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 55.5 | 116 | 161 | -66.3 | -74.1 | 0 | 0 | 0 | 120.8 | ||||
| 66 | S | 28.4 | Very low | 29.2 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | -174.9 | 106.7 | 126.7 | -78 | 0 | 0 | 0 | 0 | 110 | |||||
| 67 | H | 28.8 | Very low | 29.3 | Very low | 202 Ų | 202 | 131.8 Ų | 131.8 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | -93.8 | 121.9 | 171.4 | -132.9 | -90.6 | 0 | 0 | 0 | 108.7 | ||||
| 68 | A | 27.8 | Very low | 29.2 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -120.3 | 130.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 69 | Q | 28.6 | Very low | 29.5 | Very low | 188 Ų | 188 | 134.2 Ų | 134.2 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -2.5 | 134.2 | 173.1 | -78 | 125.4 | -39.8 | 0 | 0 | 122.5 | ||||
| 70 | L | 32.1 | Very low | 29.3 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 155.7 | 151.5 | -62.4 | 165.3 | 0 | 0 | 0 | 110.6 | ||
| 71 | P | 35.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 155.8 | 161.1 | 35.1 | -31.1 | 0 | 0 | 0 | 112.7 | ||
| 72 | S | 26.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 155.1 | -167.7 | -51 | 0 | 0 | 0 | 0 | 115.2 | ||
| 73 | S | 28.8 | Very low | 29.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -171.1 | 159.5 | 148.5 | -88 | 0 | 0 | 0 | 0 | 111 | ||||
| 74 | T | 29.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | cis | -167.1 | 150.2 | -25.3 | -88 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 75 | A | 28.7 | Very low | 30 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 82% | 0.819 | S | S | * | * | trans | 68.1 | 147.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 76 | L | 31.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | cis | -159 | 157.6 | -3.2 | -112.9 | 165.4 | 0 | 0 | 0 | 108.3 | ||||
| 77 | G | 31 | Very low | 30.6 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | 126 | 90.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 78 | Q | 30.5 | Very low | 30.9 | Very low | 187 Ų | 187 | 132.9 Ų | 132.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -80.9 | 170.3 | 158.5 | -88.7 | -169.1 | 7.4 | 0 | 0 | 110.1 | ||||
| 79 | P | 37.9 | Very low | 31 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 66% | 0.656 | 82% | 0.817 | S | S | * | * | cis | -151.3 | -175.2 | 31.7 | 46.3 | -26 | 0 | 0 | 0 | 119.5 | ||||
| 80 | R | 29.8 | Very low | 31.2 | Very low | 237 Ų | 237 | 132 Ų | 132 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | 80 | 108.9 | 158.4 | -70.1 | 171.3 | -176.8 | -92.5 | -1.3 | 119.6 | ||||
| 81 | S | 28.9 | Very low | 31.2 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -69.5 | 166.6 | 152.2 | -42.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | P | 35.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | -137.8 | 165 | 91.7 | 35.2 | -21 | 0 | 0 | 0 | 116.1 | |||||
| 83 | S | 27.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -34.4 | 140.6 | 171.5 | 50.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 84 | G | 27 | Very low | 31.5 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 178.6 | 93.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 85 | S | 29.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -146.2 | 150.6 | 160.3 | 59.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 86 | P | 40.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | cis | -127.1 | 167.6 | 25.9 | 40.6 | -26.1 | 0 | 0 | 0 | 115.7 | ||||
| 87 | G | 27.2 | Very low | 32.2 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | -162.5 | 93.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 88 | R | 35.2 | Very low | 32.2 | Very low | 246 Ų | 246 | 145.1 Ų | 145.1 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | -74.2 | 125.9 | 165.4 | -83.8 | 179.4 | 167.7 | -122 | 3.9 | 108.8 | ||||
| 89 | S | 29.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -145.4 | 118.7 | 158.9 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | I91 | S89-I91 PolarHBondContact O-N 2.98Š| ||
| 90 | D | 33.6 | Very low | 32.2 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -67.3 | 123.6 | 176.4 | -66.6 | -90.1 | 0 | 0 | 0 | 111 | ||||
| 91 | I | 31.5 | Very low | 32.3 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | trans | -115.9 | 98.5 | 166.5 | -58.9 | -178.1 | 0 | 0 | 0 | 109.2 | S89 R93 | S89-I91 PolarHBondContact O-N 2.98Å; I91-R93 PolarHBondContact O-N 3.37Å | ||
| 92 | R | 37.1 | Very low | 32.5 | Very low | 240 Ų | 240 | 144.3 Ų | 144.3 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -64.1 | 122 | 163.2 | -66.9 | -176.5 | 179.4 | -157.1 | 2 | 109.5 | ||||
| 93 | R | 31.9 | Very low | 32.4 | Very low | 225 Ų | 225 | 149.6 Ų | 149.6 | 85% | 0.849 | 82% | 0.822 | S | S | * | * | trans | -128.9 | 105.2 | 149.6 | -78.9 | -172.3 | 173.1 | -163 | -1.8 | 107.4 | I91 | I91-R93 PolarHBondContact O-N 3.37Š| ||
| 94 | S | 29.4 | Very low | 32.7 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | 72.7 | 81.4 | 81.5 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 95 | L | 32.8 | Very low | 33.2 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 94.5 | 157 | -78.1 | 166.6 | 0 | 0 | 0 | 108.4 | ||||
| 96 | H | 32.7 | Very low | 33.5 | Very low | 178 Ų | 178 | 156.2 Ų | 156.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -99.3 | 123.6 | 161.5 | -95.7 | 94.1 | 0 | 0 | 0 | 108.8 | G98 | H96-G98 PolarHBondContact O-N 3.47Å; H96-G98 VanDerWaalsContact O-N 3.17Å | ||
| 97 | S | 38 | Very low | 33.5 | Very low | 125 Ų | 125 | 159 Ų | 159 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -69.7 | 103.6 | 171.9 | 50.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 98 | G | 31.5 | Very low | 33.9 | Very low | 65 Ų | 65 | 162 Ų | 162 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | -118 | 114.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H96 L100 | H96-G98 PolarHBondContact O-N 3.47Å; H96-G98 VanDerWaalsContact O-N 3.17Å; G98-L100 PolarHBondContact O-N 3.5Å | ||
| 99 | S | 35.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -73.8 | 114.7 | 172.9 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | Y101 | S99-Y101 PolarHBondContact O-N 3.15Š| ||
| 100 | L | 32.3 | Very low | 35.1 | Very low | 163 Ų | 163 | 158 Ų | 158 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -87.5 | 98.9 | 175.7 | -70.5 | -179.4 | 0 | 0 | 0 | 110.8 | G98 V102 | G98-L100 PolarHBondContact O-N 3.5Å; L100-V102 PolarHBondContact O-N 3.26Å | ||
| 101 | Y | 30.9 | Very low | 35.3 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -65.4 | 114.7 | 161.7 | -119 | -97.9 | 0 | 0 | 0 | 109.3 | S99 R103 | S99-Y101 PolarHBondContact O-N 3.15Å; Y101-R103 PolarHBondContact O-N 3.04Å; Y101-R103 VanDerWaalsContact O-N 3.08Å | ||
| 102 | V | 33.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 155.9 Ų | 155.9 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | -76.7 | 96.3 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | L100 S104 | L100-V102 PolarHBondContact O-N 3.26Å; V102-S104 PolarHBondContact O-N 3.43Å; V102-S104 VanDerWaalsContact O-N 3.1Å | ||
| 103 | R | 33.2 | Very low | 36.6 | Very low | 233 Ų | 233 | 152.2 Ų | 152.2 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -81.7 | 79.7 | 175.6 | -171.4 | 176.2 | -179.1 | 166 | 0.3 | 110.6 | Y101 K105 | Y101-R103 PolarHBondContact O-N 3.04Å; Y101-R103 VanDerWaalsContact O-N 3.08Å; R103-K105 PolarHBondContact O-N 3.14Å | ||
| 104 | S | 33.8 | Very low | 37.7 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 59% | 0.587 | 80% | 0.803 | S | S | * | * | trans | -61.8 | 116.9 | 169.2 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | V102 M106 | V102-S104 PolarHBondContact O-N 3.43Å; V102-S104 VanDerWaalsContact O-N 3.1Å; S104-M106 PolarHBondContact O-N 2.88Å; S104-M106 VanDerWaalsContact O-N 3.14Å | ||
| 105 | K | 37.6 | Very low | 39.3 | Very low | 208 Ų | 208 | 147.9 Ų | 147.9 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -71 | 103.4 | 170.5 | -79.1 | -179.7 | 174.1 | 177.3 | 0 | 108.9 | R103 | R103-K105 PolarHBondContact O-N 3.14Š| ||
| 106 | M | 36.3 | Very low | 40.7 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -81 | 124.6 | 170.4 | -50.2 | 179.9 | -158 | 0 | 0 | 108.3 | S104 V108 | S104-M106 PolarHBondContact O-N 2.88Å; S104-M106 VanDerWaalsContact O-N 3.14Å; M106-V108 PolarHBondContact O-N 2.8Å | ||
| 107 | K | 39 | Very low | 42.1 | Very low | 193 Ų | 193 | 144 Ų | 144 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -82.4 | 113.5 | 176.3 | -164.2 | 170 | -178.2 | -179.6 | 0 | 107.4 | T109 | K107-T109 PolarHBondContact O-N 2.97Å; K107-T109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | V | 36.8 | Very low | 43.6 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 109.1 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | M106 | M106-V108 PolarHBondContact O-N 2.8Š| ||
| 109 | T | 40.4 | Very low | 45.1 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -104.7 | 122.4 | 163.7 | 53.3 | 0 | 0 | 0 | 0 | 107.5 | K107 G111 | K107-T109 PolarHBondContact O-N 2.97Å; K107-T109 VanDerWaalsContact O-N 3.15Å; T109-G111 PolarHBondContact O-N 2.98Å | ||
| 110 | T | 48.9 | Very low | 46.5 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 108.2 | 175.2 | -48.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 111 | G | 37.3 | Very low | 48.1 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101 | 134.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T109 | T109-G111 PolarHBondContact O-N 2.98Š|
| 112 | E | 44.9 | Very low | 50 | Low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 153.5 | 175.9 | -72.2 | -80.3 | 83.5 | 0 | 0 | 112.9 | ||
| 113 | L | 51.1 | Low | 51.3 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 135.5 | 177.6 | -141.1 | 74.7 | 0 | 0 | 0 | 110.5 | ||
| 114 | P | 56.2 | Low | 52.9 | Low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 143.4 | 171.9 | 29.4 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 115 | P | 62.6 | Low | 54.5 | Low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 150.3 | 175.2 | 30.1 | -34.7 | 0 | 0 | 0 | 111.9 | ||
| 116 | D | 61.3 | Low | 55.7 | Low | 159 Ų | 159 | 133.1 Ų | 133.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.5 | 179.9 | -87.3 | -52.4 | 0 | 0 | 0 | 113.3 | ||
| 117 | P | 63.3 | Low | 57.1 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 131.4 | 175.4 | 29.2 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 118 | A | 69.2 | Low | 57.7 | Low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 119 | P | 62.7 | Low | 58.8 | Low | 128 Ų | 128 | 129.7 Ų | 129.7 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67 | 140.4 | -179.2 | 27.4 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 120 | L | 64.9 | Low | 59.1 | Low | 164 Ų | 164 | 129.6 Ų | 129.6 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 145.3 | 179.1 | -66.5 | 170.4 | 0 | 0 | 0 | 111.8 | ||
| 121 | P | 67.3 | Low | 59.6 | Low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 152.7 | 176.3 | 29.6 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 122 | P | 69.1 | Low | 60 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 146.2 | -179.1 | 27.9 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 123 | A | 60.4 | Low | 60.1 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 139.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 124 | L | 66.9 | Low | 59.9 | Low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 149.2 | 173.7 | -69 | 171.6 | 0 | 0 | 0 | 111.4 | ||
| 125 | P | 68.6 | Low | 59.5 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 152.6 | -179.4 | 29.1 | -35.6 | 0 | 0 | 0 | 112.5 | ||
| 126 | P | 63 | Low | 58.7 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.3 | -178.4 | 28.9 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 127 | I | 64.6 | Low | 58.1 | Low | 152 Ų | 152 | 128.7 Ų | 128.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 132 | 174.8 | -54.8 | 174.9 | 0 | 0 | 0 | 108.9 | ||
| 128 | P | 52.6 | Low | 57 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135 | 179.8 | 27.9 | -34.3 | 0 | 0 | 0 | 112.1 | ||
| 129 | I | 59.1 | Low | 55.5 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 126.8 | 176.7 | -55.7 | 171.5 | 0 | 0 | 0 | 108.6 | ||
| 130 | P | 47.4 | Very low | 54.5 | Low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 142.7 | 177.5 | 29.2 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 131 | S | 59.5 | Low | 53.4 | Low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 147.4 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 132 | P | 46.1 | Very low | 52 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.6 | -179.3 | 30.2 | -34.5 | 0 | 0 | 0 | 112.7 | ||
| 133 | Q | 46.8 | Very low | 50.8 | Low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 147.4 | 169.6 | -70 | -76.8 | -3 | 0 | 0 | 110.9 | ||
| 134 | P | 45.9 | Very low | 49.7 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 144.2 | 178.3 | 31.2 | -33.5 | 0 | 0 | 0 | 112.3 | ||
| 135 | L | 47.8 | Very low | 48.4 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 148 | 177.6 | -70.1 | 167.8 | 0 | 0 | 0 | 112 | ||
| 136 | P | 46.8 | Very low | 47.2 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73 | 156.8 | 177.1 | 31.1 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 137 | P | 47.5 | Very low | 46 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.6 | -178.4 | 29.1 | -34.8 | 0 | 0 | 0 | 111.9 | ||
| 138 | Q | 41.1 | Very low | 44.5 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 134.6 | 176.8 | -63.2 | -170.2 | 11.2 | 0 | 0 | 111.3 | ||
| 139 | A | 37.5 | Very low | 43.8 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 140 | A | 42.3 | Very low | 42.7 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 139 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 141 | V | 41.1 | Very low | 42.2 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -114.1 | 132 | 172.1 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 142 | M | 37.6 | Very low | 41.2 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 84% | 0.837 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 155.9 | -176.1 | -61.6 | -159.9 | 78.4 | 0 | 0 | 112.9 | ||
| 143 | P | 44.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75 | 139.9 | -179 | 30.2 | -35.1 | 0 | 0 | 0 | 112.9 | ||
| 144 | A | 36.2 | Very low | 40.4 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 148.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 145 | A | 40.7 | Very low | 40.4 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 154.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 146 | P | 43.4 | Very low | 40 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 136.2 | -175.4 | 30.6 | -35 | 0 | 0 | 0 | 113.1 | ||
| 147 | K | 37.7 | Very low | 39.3 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 143.8 | 168.5 | -75.9 | -171 | 175 | -176 | 0 | 111.4 | ||
| 148 | Q | 33.5 | Very low | 38.8 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 145.1 | -173.6 | -62.4 | 167.4 | 2.6 | 0 | 0 | 112.8 | ||
| 149 | T | 36.5 | Very low | 38.9 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 130.2 | 171.5 | 47 | 0 | 0 | 0 | 0 | 111.4 | ||
| 150 | P | 37 | Very low | 39 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 148.6 | 164.7 | 31 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 151 | A | 36.7 | Very low | 38.9 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 160.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 152 | P | 38.2 | Very low | 39 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 134.5 | 178.4 | 30.8 | -34.5 | 0 | 0 | 0 | 112.7 | ||
| 153 | S | 36 | Very low | 39.3 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 147.2 | 171.4 | 54 | 0 | 0 | 0 | 0 | 112.5 | ||
| 154 | E | 39.9 | Very low | 39.2 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 155.5 | -174.5 | -64.7 | -172.3 | 101 | 0 | 0 | 115.5 | ||
| 155 | P | 45.5 | Very low | 39.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 140.7 | 172 | 31.9 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 156 | P | 41.1 | Very low | 39.5 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 140.2 | 179.1 | 27.9 | -34 | 0 | 0 | 0 | 112.8 | ||
| 157 | S | 31.8 | Very low | 39.5 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64 | 161.3 | -175 | -63.8 | 0 | 0 | 0 | 0 | 115.6 | V159 | S157-V159 PolarHBondContact O-N 3.32Š|
| 158 | M | 37.1 | Very low | 39.8 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 95% | 0.946 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 121.5 | -175.3 | -52.1 | 170.7 | -166.6 | 0 | 0 | 111.8 | ||
| 159 | V | 42.4 | Very low | 40.3 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 131.4 | 170.8 | 78.8 | 0 | 0 | 0 | 0 | 110.6 | S157 | S157-V159 PolarHBondContact O-N 3.32Š|
| 160 | T | 38.9 | Very low | 41 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 145.1 | -177.4 | 27 | 0 | 0 | 0 | 0 | 112.7 | P162 | T160-P162 WeakPolarHBondContact O-CD 3.41Š|
| 161 | R | 41.9 | Very low | 41.4 | Very low | 211 Ų | 211 | 137.8 Ų | 137.8 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 128.3 | 172.9 | -91.7 | 169.8 | 53.1 | -160.2 | -5 | 111.6 | ||
| 162 | P | 41.6 | Very low | 41.9 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 142.1 | 148.4 | -0.9 | 20.5 | 0 | 0 | 0 | 109.2 | T160 | T160-P162 WeakPolarHBondContact O-CD 3.41Š|
| 163 | T | 44.1 | Very low | 42.7 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 124.6 | 177.2 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 164 | G | 43.5 | Very low | 43.8 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 89.8 | 108.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 165 | Q | 37.8 | Very low | 45.1 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | -165.5 | 144.2 | 116.5 | -102.1 | 170.4 | 33.7 | 0 | 0 | 110.2 | |||||
| 166 | S | 43.9 | Very low | 46.6 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -90.6 | 113.9 | -173.7 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 167 | Q | 43.8 | Very low | 48.8 | Very low | 173 Ų | 173 | 125 Ų | 125 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | -143 | 144.7 | 159.2 | -62.6 | -165.7 | 32.7 | 0 | 0 | 109.9 | L169 | Q167-L169 PolarHBondContact O-N 3.19Š| ||
| 168 | N | 44.3 | Very low | 51.5 | Low | 175 Ų | 175 | 121.7 Ų | 121.7 | 94% | 0.936 | 72% | 0.717 | S | S | * | * | trans | -54.4 | 126.3 | -168.7 | -79.8 | -86.7 | 0 | 0 | 0 | 114.1 | ||||
| 169 | L | 44.8 | Very low | 54 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | trans | -120.7 | 132.1 | 169.4 | -150.8 | 72.1 | 0 | 0 | 0 | 109.3 | Q167 T172 | Q167-L169 PolarHBondContact O-N 3.19Å; L169-T172 HydrophobicContact CD2-CG2 4.02Å | ||
| 170 | P | 50.2 | Low | 56.1 | Low | 101 Ų | 101 | 113.1 Ų | 113.1 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | trans | -62 | 155.9 | 175.3 | 27.3 | -35.5 | 0 | 0 | 0 | 110.7 | T172 | P170-T172 PolarHBondContact O-N 3.35Š| ||
| 171 | P | 45.8 | Very low | 58.3 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | trans | -57.9 | 105.9 | -166.1 | 22.4 | -34.4 | 0 | 0 | 0 | 112 | T173 | P171-T173 PolarHBondContact O-N 3.25Š| ||
| 172 | T | 48.1 | Very low | 60.5 | Low | 115 Ų | 115 | 104.1 Ų | 104.1 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -67.3 | 95.3 | 173.5 | 26.4 | 0 | 0 | 0 | 0 | 108.7 | L169 P170 A174 | L169-T172 HydrophobicContact CD2-CG2 4.02Å; P170-T172 PolarHBondContact O-N 3.35Å; T172-A174 VanDerWaalsContact C-N 3.26Å; T172-A174 PolarHBondContact O-N 3.36Å | ||
| 173 | T | 54.1 | Low | 62.6 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | trans | -63.8 | 90.9 | 165.5 | 34 | 0 | 0 | 0 | 0 | 108.5 | P171 G175 A176 | P171-T173 PolarHBondContact O-N 3.25Å; T173-G175 PolarHBondContact O-N 3.02Å; T173-G175 VanDerWaalsContact O-N 3.13Å; T173-A176 WeakPolarHBondContact O-CB 3.3Å; T173-A176 PolarHBondContact O-N 3.08Å | ||
| 174 | A | 60 | Low | 64.6 | Low | 107 Ų | 107 | 102.3 Ų | 102.3 | 88% | 0.884 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 117.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T172 | T172-A174 VanDerWaalsContact C-N 3.26Å; T172-A174 PolarHBondContact O-N 3.36Å |
| 175 | G | 65.6 | Low | 66.8 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 58% | 0.577 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.5 | 7.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T173 F177 | T173-G175 PolarHBondContact O-N 3.02Å; T173-G175 VanDerWaalsContact O-N 3.13Å; G175-F177 WeakPolarHBondContact O-CD2 3.5Å; G175-F177 VanDerWaalsContact O-CE2 3.22Å; G175-F177 WeakPolarHBondContact O-CE2 3.48Å |
| 176 | A | 78.6 | Confident | 69.2 | Low | 35 Ų | 35 | 96.3 Ų | 96.3 | 29% | 0.289 | 57% | 0.565 | S | S | . | * | trans | -79.9 | 131 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T173 T185 | T173-A176 WeakPolarHBondContact O-CB 3.3Å; T173-A176 PolarHBondContact O-N 3.08Å; A176-T185 HydrophobicContact CB-CG2 3.48Å; A176-T185 VanDerWaalsContact CB-CG2 3.48Å | ||
| 177 | F | 86.7 | Confident | 71.3 | Confident | 77 Ų | 77 | 98.2 Ų | 98.2 | 34% | 0.338 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.7 | -174 | -60.7 | -84.1 | 0 | 0 | 0 | 110.8 | G175 F186 F188 Q189 L192 | G175-F177 WeakPolarHBondContact O-CD2 3.5Å; G175-F177 VanDerWaalsContact O-CE2 3.22Å; G175-F177 WeakPolarHBondContact O-CE2 3.48Å; F177-F186 PolarHBondContact N-O 3.22Å; F177-F186 PolarHBondContact O-N 3.12Å; F177-F188 VanDerWaalsContact CD2-C 3.41Å; F177-Q189 HydrophobicContact CD1-CB 3.99Å; F177-Q189 HydrophobicContact CD2-CB 4.43Å; F177-Q189 HydrophobicContact CE1-CB 3.84Å; F177-Q189 HydrophobicContact CE1-CG 4.5Å; F177-Q189 HydrophobicContact CE2-CB 4.3Å; F177-Q189 HydrophobicContact CG-CB 4.27Å; F177-Q189 HydrophobicContact CZ-CB 4Å; F177-L192 HydrophobicContact CB-CB 4.1Å; F177-L192 HydrophobicContact CB-CD2 3.84Å |
| 178 | V | 88.7 | Confident | 73.4 | Confident | 53 Ų | 53 | 94.7 Ų | 94.7 | 32% | 0.321 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.8 | -173.1 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | Q183 T185 L192 | V178-Q183 VanDerWaalsContact CG1-OE1 3.26Å; V178-T185 HydrophobicContact CG2-CG2 4.29Å; V178-L192 WeakPolarHBondContact O-CD2 3.4Å |
| 179 | C | 88.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 52% | 0.516 | C | S | . | . | trans | -83.2 | 115 | 173.5 | -176 | 0 | 0 | 0 | 0 | 111.7 | V181 C182 Q183 K184 F186 L192 H195 H199 | C179-V181 PolarHBondContact O-N 3.05Å; C179-V181 VanDerWaalsContact O-N 3.14Å; C179-C182 PolarHBondContact O-N 3.48Å; C179-Q183 WeakPolarHBondContact O-CA 3.36Å; C179-Q183 PolarHBondContact O-N 3.18Å; C179-K184 PolarHBondContact N-O 3.06Å; C179-F186 HydrophobicContact CB-CE2 4.18Å; C179-L192 VanDerWaalsContact CA-CD1 3.48Å; C179-L192 HydrophobicContact CB-CD1 3.52Å; C179-H195 VanDerWaalsContact SG-CD2 3.52Å; C179-H195 PolarHBondContact SG-NE2 3.07Å; C179-H199 PolarHBondContact SG-NE2 2.96Å | ||
| 180 | Q | 87.3 | Confident | 77.2 | Confident | 154 Ų | 154 | 92 Ų | 92 | 72% | 0.72 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.5 | -178.1 | -58.9 | -61.5 | -0.3 | 0 | 0 | 114.6 | Q183 | Q180-Q183 PolarHBondContact O-NE2 2.83Š|
| 181 | V | 85.3 | Confident | 78.9 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -31.3 | -178.7 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | C179 H199 | C179-V181 PolarHBondContact O-N 3.05Å; C179-V181 VanDerWaalsContact O-N 3.14Å; V181-H199 HydrophobicContact CG1-CB 4.17Å; V181-H199 HydrophobicContact CG2-CB 4.49Å |
| 182 | C | 87.4 | Confident | 80.9 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 32% | 0.324 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.4 | 12.5 | -175.3 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | C179 K184 H195 | C179-C182 PolarHBondContact O-N 3.48Å; C182-K184 PolarHBondContact O-N 2.85Å; C182-H195 PolarHBondContact SG-NE2 2.85Å |
| 183 | Q | 87.3 | Confident | 82.6 | Confident | 117 Ų | 117 | 83.4 Ų | 83.4 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | trans | 52.1 | 23.1 | 178 | -58.5 | -59.7 | -26 | 0 | 0 | 115.6 | V178 C179 Q180 | V178-Q183 VanDerWaalsContact CG1-OE1 3.26Å; C179-Q183 WeakPolarHBondContact O-CA 3.36Å; C179-Q183 PolarHBondContact O-N 3.18Å; Q180-Q183 PolarHBondContact O-NE2 2.83Å | ||
| 184 | K | 85.9 | Confident | 83.9 | Confident | 88 Ų | 88 | 83.7 Ų | 83.7 | 38% | 0.383 | 44% | 0.439 | S | S | . | . | trans | -77.7 | 131.3 | 174.4 | -70.5 | -178.8 | -174.9 | -179.3 | 0 | 111.3 | C179 C182 F186 | C179-K184 PolarHBondContact N-O 3.06Å; C182-K184 PolarHBondContact O-N 2.85Å; K184-F186 HydrophobicContact CB-CE2 3.78Å; K184-F186 HydrophobicContact CB-CZ 3.99Å; K184-F186 VanDerWaalsContact O-CD2 3.31Å; K184-F186 WeakPolarHBondContact O-CD2 3.37Å; K184-F186 VanDerWaalsContact O-CE2 3.23Å; K184-F186 WeakPolarHBondContact O-CE2 3.37Å | ||
| 185 | T | 89.6 | Confident | 85 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 55% | 0.546 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136 | -177.4 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | A176 V178 | A176-T185 HydrophobicContact CB-CG2 3.48Å; A176-T185 VanDerWaalsContact CB-CG2 3.48Å; V178-T185 HydrophobicContact CG2-CG2 4.29Å |
| 186 | F | 87.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 20% | 0.197 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.4 | -177.6 | -62.3 | -86.8 | 0 | 0 | 0 | 111.7 | F177 C179 K184 F188 M191 L192 H195 | F177-F186 PolarHBondContact N-O 3.22Å; F177-F186 PolarHBondContact O-N 3.12Å; C179-F186 HydrophobicContact CB-CE2 4.18Å; K184-F186 HydrophobicContact CB-CE2 3.78Å; K184-F186 HydrophobicContact CB-CZ 3.99Å; K184-F186 VanDerWaalsContact O-CD2 3.31Å; K184-F186 WeakPolarHBondContact O-CD2 3.37Å; K184-F186 VanDerWaalsContact O-CE2 3.23Å; K184-F186 WeakPolarHBondContact O-CE2 3.37Å; F186-F188 VanDerWaalsContact C-N 3.29Å; F186-F188 PolarHBondContact O-N 3.32Å; F186-M191 HydrophobicContact CB-CB 4.17Å; F186-M191 HydrophobicContact CD1-CB 3.95Å; F186-M191 HydrophobicContact CG-CB 4.35Å; F186-L192 HydrophobicContact CB-CB 4.36Å; F186-L192 HydrophobicContact CD2-CB 4.1Å; F186-L192 HydrophobicContact CD2-CD1 3.92Å; F186-L192 HydrophobicContact CE2-CD1 4.15Å; F186-L192 HydrophobicContact CG-CB 4.39Å; F186-H195 HydrophobicContact CE1-CB 3.97Å; F186-H195 HydrophobicContact CE2-CB 3.97Å; F186-H195 AromaticContact CE2-CD2 3.35Å; F186-H195 WeakPolarHBondContact CE2-CD2 3.45Å; F186-H195 AromaticContact CE2-CG 3.67Å; F186-H195 HydrophobicContact CZ-CB 3.51Å; F186-H195 AromaticContact CZ-CD2 3.41Å; F186-H195 VanDerWaalsContact CZ-CD2 3.41Å; F186-H195 WeakPolarHBondContact CZ-CD2 3.44Å; F186-H195 AromaticContact CZ-CG 3.24Å; F186-H195 AromaticContact CZ-ND1 3.84Å |
| 187 | Q | 87.8 | Confident | 85.8 | Confident | 161 Ų | 161 | 83.9 Ų | 83.9 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72.4 | -15.5 | 179 | -68.7 | -178.5 | -14.4 | 0 | 0 | 114.6 | ||
| 188 | F | 87.8 | Confident | 85.3 | Confident | 100 Ų | 100 | 83.3 Ų | 83.3 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -145.1 | 139.5 | -177 | -55.2 | -73.3 | 0 | 0 | 0 | 111.7 | F177 F186 R190 M191 L192 | F177-F188 VanDerWaalsContact CD2-C 3.41Å; F186-F188 VanDerWaalsContact C-N 3.29Å; F186-F188 PolarHBondContact O-N 3.32Å; F188-R190 HydrophobicContact CB-CG 3.93Å; F188-R190 PolarHBondContact O-N 2.9Å; F188-R190 VanDerWaalsContact O-N 3.15Å; F188-M191 HydrophobicContact CB-CG 4.2Å; F188-M191 HydrophobicContact CD2-CG 4.36Å; F188-M191 WeakPolarHBondContact O-CA 3.41Å; F188-M191 WeakPolarHBondContact O-CB 3.18Å; F188-M191 PolarHBondContact O-N 3.2Å; F188-L192 PolarHBondContact O-N 2.96Å |
| 189 | Q | 85.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 38% | 0.379 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54.2 | -36.9 | 177.5 | -174.3 | 62.4 | 7.9 | 0 | 0 | 113.1 | F177 M191 L192 N193 | F177-Q189 HydrophobicContact CD1-CB 3.99Å; F177-Q189 HydrophobicContact CD2-CB 4.43Å; F177-Q189 HydrophobicContact CE1-CB 3.84Å; F177-Q189 HydrophobicContact CE1-CG 4.5Å; F177-Q189 HydrophobicContact CE2-CB 4.3Å; F177-Q189 HydrophobicContact CG-CB 4.27Å; F177-Q189 HydrophobicContact CZ-CB 4Å; Q189-M191 PolarHBondContact O-N 3.32Å; Q189-L192 PolarHBondContact O-N 3.29Å; Q189-N193 PolarHBondContact NE2-OD1 2.91Å; Q189-N193 WeakPolarHBondContact O-CB 3.5Å; Q189-N193 PolarHBondContact O-N 3.34Å |
| 190 | R | 83.6 | Confident | 83.8 | Confident | 173 Ų | 173 | 85.6 Ų | 85.6 | 65% | 0.653 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.3 | -32.1 | 174.9 | 66.6 | -179.5 | 176.3 | 162.2 | -2.1 | 113.6 | F188 R194 | F188-R190 HydrophobicContact CB-CG 3.93Å; F188-R190 PolarHBondContact O-N 2.9Å; F188-R190 VanDerWaalsContact O-N 3.15Å; R190-R194 PolarHBondContact O-N 3.25Å |
| 191 | M | 85.7 | Confident | 82.8 | Confident | 57 Ų | 57 | 83.9 Ų | 83.9 | 28% | 0.281 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.6 | -41.1 | 178 | -60.9 | -62.2 | 174.5 | 0 | 0 | 110.5 | F186 F188 Q189 R194 H195 | F186-M191 HydrophobicContact CB-CB 4.17Å; F186-M191 HydrophobicContact CD1-CB 3.95Å; F186-M191 HydrophobicContact CG-CB 4.35Å; F188-M191 HydrophobicContact CB-CG 4.2Å; F188-M191 HydrophobicContact CD2-CG 4.36Å; F188-M191 WeakPolarHBondContact O-CA 3.41Å; F188-M191 WeakPolarHBondContact O-CB 3.18Å; F188-M191 PolarHBondContact O-N 3.2Å; Q189-M191 PolarHBondContact O-N 3.32Å; M191-R194 PolarHBondContact O-N 2.92Å; M191-R194 PolarHBondContact SD-NH2 2.86Å; M191-H195 WeakPolarHBondContact O-CB 3.27Å; M191-H195 PolarHBondContact O-N 2.92Å |
| 192 | L | 86.8 | Confident | 81.6 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 171.7 | 174.5 | 58.9 | 0 | 0 | 0 | 111.1 | F177 V178 C179 F186 F188 Q189 R194 H195 V196 | F177-L192 HydrophobicContact CB-CB 4.1Å; F177-L192 HydrophobicContact CB-CD2 3.84Å; V178-L192 WeakPolarHBondContact O-CD2 3.4Å; C179-L192 VanDerWaalsContact CA-CD1 3.48Å; C179-L192 HydrophobicContact CB-CD1 3.52Å; F186-L192 HydrophobicContact CB-CB 4.36Å; F186-L192 HydrophobicContact CD2-CB 4.1Å; F186-L192 HydrophobicContact CD2-CD1 3.92Å; F186-L192 HydrophobicContact CE2-CD1 4.15Å; F186-L192 HydrophobicContact CG-CB 4.39Å; F188-L192 PolarHBondContact O-N 2.96Å; Q189-L192 PolarHBondContact O-N 3.29Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-H195 CarbonylContact O-C 3.27Å; L192-H195 WeakPolarHBondContact O-CA 3.47Å; L192-H195 WeakPolarHBondContact O-CB 3.46Å; L192-H195 PolarHBondContact O-N 2.96Å; L192-V196 HydrophobicContact CD1-CG2 3.74Å; L192-V196 HydrophobicContact CG-CG2 4.22Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.44Å |
| 193 | N | 83.8 | Confident | 80.7 | Confident | 85 Ų | 85 | 86 Ų | 86 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57 | -40.4 | 178.8 | -74.3 | -4.2 | 0 | 0 | 0 | 112.4 | Q189 K197 | Q189-N193 PolarHBondContact NE2-OD1 2.91Å; Q189-N193 WeakPolarHBondContact O-CB 3.5Å; Q189-N193 PolarHBondContact O-N 3.34Å; N193-K197 WeakPolarHBondContact O-CG 3.43Å |
| 194 | R | 81.1 | Confident | 80 | Confident | 113 Ų | 113 | 90.2 Ų | 90.2 | 43% | 0.426 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 173.8 | -174 | -178.5 | 62.7 | -173 | -2.3 | 112.1 | R190 M191 L192 | R190-R194 PolarHBondContact O-N 3.25Å; M191-R194 PolarHBondContact O-N 2.92Å; M191-R194 PolarHBondContact SD-NH2 2.86Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.46Å |
| 195 | H | 83.5 | Confident | 79.8 | Confident | 33 Ų | 33 | 88.9 Ų | 88.9 | 15% | 0.153 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 177.5 | 169.7 | 63.3 | 0 | 0 | 0 | 112.6 | C179 C182 F186 M191 L192 K197 C198 H199 | C179-H195 VanDerWaalsContact SG-CD2 3.52Å; C179-H195 PolarHBondContact SG-NE2 3.07Å; C182-H195 PolarHBondContact SG-NE2 2.85Å; F186-H195 HydrophobicContact CE1-CB 3.97Å; F186-H195 HydrophobicContact CE2-CB 3.97Å; F186-H195 AromaticContact CE2-CD2 3.35Å; F186-H195 WeakPolarHBondContact CE2-CD2 3.45Å; F186-H195 AromaticContact CE2-CG 3.67Å; F186-H195 HydrophobicContact CZ-CB 3.51Å; F186-H195 AromaticContact CZ-CD2 3.41Å; F186-H195 VanDerWaalsContact CZ-CD2 3.41Å; F186-H195 WeakPolarHBondContact CZ-CD2 3.44Å; F186-H195 AromaticContact CZ-CG 3.24Å; F186-H195 AromaticContact CZ-ND1 3.84Å; M191-H195 WeakPolarHBondContact O-CB 3.27Å; M191-H195 PolarHBondContact O-N 2.92Å; L192-H195 CarbonylContact O-C 3.27Å; L192-H195 WeakPolarHBondContact O-CA 3.47Å; L192-H195 WeakPolarHBondContact O-CB 3.46Å; L192-H195 PolarHBondContact O-N 2.96Å; H195-K197 PolarHBondContact O-N 3.2Å; H195-C198 WeakPolarHBondContact O-CA 3.31Å; H195-C198 WeakPolarHBondContact O-CB 3.29Å; H195-C198 PolarHBondContact O-N 3.28Å; H195-H199 AromaticContact CD2-NE2 3.87Å; H195-H199 AromaticContact CE1-CE1 3.81Å; H195-H199 AromaticContact CE1-NE2 3.51Å; H195-H199 AromaticContact NE2-CE1 3.73Å; H195-H199 AromaticContact NE2-NE2 3.06Å; H195-H199 PolarHBondContact NE2-NE2 2.92Å |
| 196 | V | 82.9 | Confident | 79.5 | Confident | 65 Ų | 65 | 89.9 Ų | 89.9 | 39% | 0.394 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61 | -33.1 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | L192 C198 H199 | L192-V196 HydrophobicContact CD1-CG2 3.74Å; L192-V196 HydrophobicContact CG-CG2 4.22Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.44Å; V196-C198 PolarHBondContact O-N 3.28Å; V196-H199 PolarHBondContact O-N 2.8Å |
| 197 | K | 79.1 | Confident | 79.5 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 46% | 0.457 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.2 | 170.7 | -64.5 | 175.2 | 179.9 | -174.6 | 0 | 114.2 | N193 H195 S200 N215 | N193-K197 WeakPolarHBondContact O-CG 3.43Å; H195-K197 PolarHBondContact O-N 3.2Å; K197-S200 WeakPolarHBondContact CA-OG 3.43Å; K197-S200 PolarHBondContact O-OG 3.15Å; K197-N215 HydrophobicContact CB-CB 4.03Å; K197-N215 VanDerWaalsContact O-CG 3.29Å; K197-N215 PolarHBondContact O-ND2 3.06Å |
| 198 | C | 75.9 | Confident | 79.4 | Confident | 65 Ų | 65 | 86.5 Ų | 86.5 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -23.7 | 172.4 | -162.5 | 0 | 0 | 0 | 0 | 113.2 | H195 V196 N215 | H195-C198 WeakPolarHBondContact O-CA 3.31Å; H195-C198 WeakPolarHBondContact O-CB 3.29Å; H195-C198 PolarHBondContact O-N 3.28Å; V196-C198 PolarHBondContact O-N 3.28Å; C198-N215 WeakPolarHBondContact CA-ND2 3.44Å |
| 199 | H | 78.3 | Confident | 79.1 | Confident | 55 Ų | 55 | 87.4 Ų | 87.4 | 26% | 0.255 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -18.8 | 175.5 | -54.8 | -53.7 | 0 | 0 | 0 | 112.4 | C179 V181 H195 V196 | C179-H199 PolarHBondContact SG-NE2 2.96Å; V181-H199 HydrophobicContact CG1-CB 4.17Å; V181-H199 HydrophobicContact CG2-CB 4.49Å; H195-H199 AromaticContact CD2-NE2 3.87Å; H195-H199 AromaticContact CE1-CE1 3.81Å; H195-H199 AromaticContact CE1-NE2 3.51Å; H195-H199 AromaticContact NE2-CE1 3.73Å; H195-H199 AromaticContact NE2-NE2 3.06Å; H195-H199 PolarHBondContact NE2-NE2 2.92Å; V196-H199 PolarHBondContact O-N 2.8Å |
| 200 | S | 67.9 | Low | 79.1 | Confident | 46 Ų | 46 | 86.1 Ų | 86.1 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -86 | 115.1 | 168.4 | 61.1 | 0 | 0 | 0 | 0 | 110 | K197 T202 | K197-S200 WeakPolarHBondContact CA-OG 3.43Å; K197-S200 PolarHBondContact O-OG 3.15Å; S200-T202 PolarHBondContact O-N 3.21Å |
| 201 | D | 64.4 | Low | 78.9 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | trans | -64 | -5.2 | 176.4 | -71.8 | -63.2 | 0 | 0 | 0 | 114.5 | K203 | D201-K203 PolarHBondContact O-N 3.26Š| ||
| 202 | T | 61.7 | Low | 78.7 | Confident | 85 Ų | 85 | 84.1 Ų | 84.1 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | trans | -69.4 | 71.5 | 172.8 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | S200 R204 | S200-T202 PolarHBondContact O-N 3.21Å; T202-R204 VanDerWaalsContact C-N 3.33Å; T202-R204 VanDerWaalsContact O-CG 3.3Å; T202-R204 WeakPolarHBondContact O-CG 3.37Å; T202-R204 PolarHBondContact O-N 2.8Å | ||
| 203 | K | 68 | Low | 78.4 | Confident | 110 Ų | 110 | 84.3 Ų | 84.3 | 48% | 0.478 | 44% | 0.439 | S | S | . | . | trans | -67.4 | 85.6 | 170.7 | -77.8 | 158.9 | 176.3 | 157.8 | 0 | 111.1 | D201 H205 G213 F214 N215 | D201-K203 PolarHBondContact O-N 3.26Å; K203-H205 PolarHBondContact O-N 2.99Å; K203-H205 VanDerWaalsContact O-N 3.14Å; K203-G213 WeakPolarHBondContact CD-O 3.26Å; K203-F214 CarbonylContact C-O 3.54Å; K203-N215 VanDerWaalsContact CG-OD1 3.26Å; K203-N215 WeakPolarHBondContact CG-OD1 3.45Å | ||
| 204 | R | 73.4 | Confident | 78.4 | Confident | 204 Ų | 204 | 82.3 Ų | 82.3 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | trans | -64.7 | -16.2 | -172.3 | -54.3 | -169.8 | -176.1 | -172.5 | -3 | 115.4 | T202 F214 | T202-R204 VanDerWaalsContact C-N 3.33Å; T202-R204 VanDerWaalsContact O-CG 3.3Å; T202-R204 WeakPolarHBondContact O-CG 3.37Å; T202-R204 PolarHBondContact O-N 2.8Å; R204-F214 PolarHBondContact N-O 3.09Å | ||
| 205 | H | 80.3 | Confident | 78.3 | Confident | 60 Ų | 60 | 78.5 Ų | 78.5 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 95.1 | -173.5 | -57.1 | -56.8 | 0 | 0 | 0 | 111.2 | K203 G213 F214 T217 L220 | K203-H205 PolarHBondContact O-N 2.99Å; K203-H205 VanDerWaalsContact O-N 3.14Å; H205-G213 CarbonylContact O-C 3.59Å; H205-F214 HydrophobicContact CB-CB 4.39Å; H205-F214 WeakPolarHBondContact CB-O 3.26Å; H205-F214 PolarHBondContact N-O 3.32Å; H205-F214 PolarHBondContact O-N 3.44Å; H205-T217 PolarHBondContact CD2-N 3.46Å; H205-T217 VanDerWaalsContact CE1-CG2 3.41Å; H205-T217 WeakPolarHBondContact CE1-CG2 3.45Å; H205-L220 HydrophobicContact CB-CB 4.28Å; H205-L220 HydrophobicContact CB-CD2 3.87Å |
| 206 | L | 84.2 | Confident | 78.2 | Confident | 111 Ų | 111 | 79 Ų | 79 | 58% | 0.581 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 145.4 | -179.5 | -55.2 | -176.2 | 0 | 0 | 0 | 112 | L220 | L206-L220 WeakPolarHBondContact O-CD2 3.32Å |
| 207 | C | 87.3 | Confident | 78.2 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.02 | 42% | 0.424 | C | S | . | . | trans | -84.2 | 119.5 | 173.2 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | F209 C210 G211 K212 F214 L220 H223 | C207-F209 PolarHBondContact O-N 3.47Å; C207-C210 PolarHBondContact O-N 3.12Å; C207-G211 WeakPolarHBondContact O-CA 3.42Å; C207-G211 PolarHBondContact O-N 3.29Å; C207-K212 HydrophobicContact CB-CB 4.45Å; C207-K212 WeakPolarHBondContact CB-O 3.45Å; C207-K212 PolarHBondContact N-O 3.17Å; C207-F214 HydrophobicContact CB-CE2 4.24Å; C207-L220 HydrophobicContact CB-CD1 3.73Å; C207-H223 PolarHBondContact SG-CD2 3.24Å; C207-H223 PolarHBondContact SG-NE2 3.3Å; C207-H223 VanDerWaalsContact SG-NE2 3.41Å | ||
| 208 | T | 85.5 | Confident | 78.5 | Confident | 131 Ų | 131 | 81 Ų | 81 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.5 | 178.8 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 209 | F | 82.6 | Confident | 78.9 | Confident | 120 Ų | 120 | 79.4 Ų | 79.4 | 53% | 0.526 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -19.1 | -178.4 | -65.4 | -85.4 | 0 | 0 | 0 | 114.6 | C207 V224 H227 T228 | C207-F209 PolarHBondContact O-N 3.47Å; F209-V224 HydrophobicContact CD2-CG1 4.4Å; F209-V224 HydrophobicContact CE2-CG1 3.87Å; F209-H227 HydrophobicContact CB-CB 4.2Å; F209-H227 VanDerWaalsContact CB-CD2 3.5Å; F209-H227 WeakPolarHBondContact CB-CD2 3.42Å; F209-H227 HydrophobicContact CD1-CB 4.17Å; F209-H227 HydrophobicContact CD2-CB 4.15Å; F209-H227 HydrophobicContact CG-CB 3.91Å; F209-H227 AromaticContact CG-CD2 3.93Å; F209-H227 AromaticContact CG-CG 3.91Å; F209-T228 HydrophobicContact CZ-CG2 4.2Å |
| 210 | C | 84.8 | Confident | 79.3 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 37% | 0.365 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.8 | 14.3 | -172.3 | 68.2 | 0 | 0 | 0 | 0 | 115.9 | C207 K212 H223 H227 | C207-C210 PolarHBondContact O-N 3.12Å; C210-K212 PolarHBondContact O-N 2.64Å; C210-H223 PolarHBondContact SG-NE2 3.18Å; C210-H227 PolarHBondContact SG-NE2 3.37Å |
| 211 | G | 79.6 | Confident | 80.3 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | trans | 67.2 | -10 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C207 G213 | C207-G211 WeakPolarHBondContact O-CA 3.42Å; C207-G211 PolarHBondContact O-N 3.29Å; G211-G213 PolarHBondContact O-N 3.14Å | ||
| 212 | K | 81.6 | Confident | 81.4 | Confident | 134 Ų | 134 | 79.7 Ų | 79.7 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | trans | -61.8 | 122.9 | -174.2 | -72 | -175.4 | 178.7 | -178.1 | 0 | 111.8 | C207 C210 F214 | C207-K212 HydrophobicContact CB-CB 4.45Å; C207-K212 WeakPolarHBondContact CB-O 3.45Å; C207-K212 PolarHBondContact N-O 3.17Å; C210-K212 PolarHBondContact O-N 2.64Å; K212-F214 HydrophobicContact CB-CE2 3.99Å; K212-F214 HydrophobicContact CB-CZ 4.36Å; K212-F214 VanDerWaalsContact O-CD2 3.27Å; K212-F214 WeakPolarHBondContact O-CD2 3.41Å; K212-F214 WeakPolarHBondContact O-CE2 3.33Å | ||
| 213 | G | 81.5 | Confident | 82.6 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 142.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K203 H205 G211 | K203-G213 WeakPolarHBondContact CD-O 3.26Å; H205-G213 CarbonylContact O-C 3.59Å; G211-G213 PolarHBondContact O-N 3.14Å |
| 214 | F | 82.9 | Confident | 83.6 | Confident | 43 Ų | 43 | 73 Ų | 73 | 19% | 0.189 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.3 | 179.1 | -62.3 | -91.3 | 0 | 0 | 0 | 111.1 | K203 R204 H205 C207 K212 D219 L220 H223 | K203-F214 CarbonylContact C-O 3.54Å; R204-F214 PolarHBondContact N-O 3.09Å; H205-F214 HydrophobicContact CB-CB 4.39Å; H205-F214 WeakPolarHBondContact CB-O 3.26Å; H205-F214 PolarHBondContact N-O 3.32Å; H205-F214 PolarHBondContact O-N 3.44Å; C207-F214 HydrophobicContact CB-CE2 4.24Å; K212-F214 HydrophobicContact CB-CE2 3.99Å; K212-F214 HydrophobicContact CB-CZ 4.36Å; K212-F214 VanDerWaalsContact O-CD2 3.27Å; K212-F214 WeakPolarHBondContact O-CD2 3.41Å; K212-F214 WeakPolarHBondContact O-CE2 3.33Å; F214-D219 HydrophobicContact CD1-CB 4.01Å; F214-L220 HydrophobicContact CB-CB 4.16Å; F214-L220 HydrophobicContact CD2-CB 4.02Å; F214-L220 HydrophobicContact CD2-CD1 3.83Å; F214-L220 HydrophobicContact CE2-CD1 4.11Å; F214-L220 HydrophobicContact CG-CB 4.17Å; F214-H223 HydrophobicContact CE1-CB 3.9Å; F214-H223 HydrophobicContact CE2-CB 3.96Å; F214-H223 AromaticContact CE2-CD2 3.29Å; F214-H223 WeakPolarHBondContact CE2-CD2 3.48Å; F214-H223 AromaticContact CE2-CG 3.76Å; F214-H223 HydrophobicContact CZ-CB 3.45Å; F214-H223 VanDerWaalsContact CZ-CB 3.45Å; F214-H223 AromaticContact CZ-CD2 3.31Å; F214-H223 WeakPolarHBondContact CZ-CD2 3.23Å; F214-H223 AromaticContact CZ-CG 3.31Å |
| 215 | N | 79.9 | Confident | 84.4 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -93.9 | -5.5 | -177.7 | -61.7 | -17.8 | 0 | 0 | 0 | 113.4 | K197 C198 K203 | K197-N215 HydrophobicContact CB-CB 4.03Å; K197-N215 VanDerWaalsContact O-CG 3.29Å; K197-N215 PolarHBondContact O-ND2 3.06Å; C198-N215 WeakPolarHBondContact CA-ND2 3.44Å; K203-N215 VanDerWaalsContact CG-OD1 3.26Å; K203-N215 WeakPolarHBondContact CG-OD1 3.45Å |
| 216 | D | 80.4 | Confident | 84.7 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 23% | 0.225 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -144.7 | 138.2 | -178.2 | -167.5 | -23.3 | 0 | 0 | 0 | 109.5 | F218 D219 L220 | D216-F218 PolarHBondContact O-N 2.86Å; D216-F218 PolarHBondContact OD1-N 2.74Å; D216-D219 HydrophobicContact CB-CB 4.35Å; D216-D219 PolarHBondContact O-N 3.3Å; D216-L220 PolarHBondContact O-N 3.14Å; D216-L220 VanDerWaalsContact O-N 3.15Å |
| 217 | T | 83.6 | Confident | 84.8 | Confident | 86 Ų | 86 | 66 Ų | 66 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -31.4 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | H205 L220 K221 | H205-T217 PolarHBondContact CD2-N 3.46Å; H205-T217 VanDerWaalsContact CE1-CG2 3.41Å; H205-T217 WeakPolarHBondContact CE1-CG2 3.45Å; T217-L220 PolarHBondContact O-N 3.23Å; T217-K221 WeakPolarHBondContact O-CB 3.41Å; T217-K221 PolarHBondContact O-N 3.33Å |
| 218 | F | 84.6 | Confident | 84.7 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 55% | 0.553 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.9 | -42.8 | 176.4 | -179.4 | -92.8 | 0 | 0 | 0 | 111.8 | D216 K221 R222 | D216-F218 PolarHBondContact O-N 2.86Å; D216-F218 PolarHBondContact OD1-N 2.74Å; F218-K221 PolarHBondContact O-N 3.14Å; F218-R222 WeakPolarHBondContact O-CB 3.35Å; F218-R222 PolarHBondContact O-N 2.86Å |
| 219 | D | 83.8 | Confident | 84.7 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 179.2 | -71.4 | -35.1 | 0 | 0 | 0 | 111.1 | F214 D216 R222 H223 | F214-D219 HydrophobicContact CD1-CB 4.01Å; D216-D219 HydrophobicContact CB-CB 4.35Å; D216-D219 PolarHBondContact O-N 3.3Å; D219-R222 PolarHBondContact O-N 3.33Å; D219-R222 IonicContact OD1-CZ 3.14Å; D219-R222 IonicContact OD1-NH1 3.14Å; D219-R222 PolarHBondContact OD1-NH1 2.81Å; D219-R222 VanDerWaalsContact OD1-NH1 3.14Å; D219-R222 IonicContact OD1-NH2 2.64Å; D219-R222 PolarHBondContact OD1-NH2 3.32Å; D219-H223 WeakPolarHBondContact O-CB 3.43Å; D219-H223 PolarHBondContact O-N 2.9Å |
| 220 | L | 88 | Confident | 84.9 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -51.1 | 169.9 | 173 | 59.8 | 0 | 0 | 0 | 111.8 | H205 L206 C207 F214 D216 T217 R222 H223 V224 | H205-L220 HydrophobicContact CB-CB 4.28Å; H205-L220 HydrophobicContact CB-CD2 3.87Å; L206-L220 WeakPolarHBondContact O-CD2 3.32Å; C207-L220 HydrophobicContact CB-CD1 3.73Å; F214-L220 HydrophobicContact CB-CB 4.16Å; F214-L220 HydrophobicContact CD2-CB 4.02Å; F214-L220 HydrophobicContact CD2-CD1 3.83Å; F214-L220 HydrophobicContact CE2-CD1 4.11Å; F214-L220 HydrophobicContact CG-CB 4.17Å; D216-L220 PolarHBondContact O-N 3.14Å; D216-L220 VanDerWaalsContact O-N 3.15Å; T217-L220 PolarHBondContact O-N 3.23Å; L220-R222 PolarHBondContact O-N 3.35Å; L220-H223 CarbonylContact O-C 3.5Å; L220-H223 WeakPolarHBondContact O-CA 3.43Å; L220-H223 WeakPolarHBondContact O-CB 3.02Å; L220-H223 PolarHBondContact O-N 2.79Å; L220-V224 HydrophobicContact CD1-CG2 3.98Å; L220-V224 HydrophobicContact CG-CG2 4.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.31Å; L220-V224 PolarHBondContact O-N 3.27Å |
| 221 | K | 87.8 | Confident | 85.1 | Confident | 108 Ų | 108 | 67.2 Ų | 67.2 | 47% | 0.47 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -31.3 | -179.9 | -167.3 | 168.2 | -170.5 | 169.1 | 0 | 111.9 | T217 F218 | T217-K221 WeakPolarHBondContact O-CB 3.41Å; T217-K221 PolarHBondContact O-N 3.33Å; F218-K221 PolarHBondContact O-N 3.14Å |
| 222 | R | 87.3 | Confident | 85.4 | Confident | 84 Ų | 84 | 68 Ų | 68 | 32% | 0.317 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 170.3 | -175.5 | -178.1 | 67.8 | -143.4 | -12.7 | 112 | F218 D219 L220 R225 Q244 | F218-R222 WeakPolarHBondContact O-CB 3.35Å; F218-R222 PolarHBondContact O-N 2.86Å; D219-R222 PolarHBondContact O-N 3.33Å; D219-R222 IonicContact OD1-CZ 3.14Å; D219-R222 IonicContact OD1-NH1 3.14Å; D219-R222 PolarHBondContact OD1-NH1 2.81Å; D219-R222 VanDerWaalsContact OD1-NH1 3.14Å; D219-R222 IonicContact OD1-NH2 2.64Å; D219-R222 PolarHBondContact OD1-NH2 3.32Å; L220-R222 PolarHBondContact O-N 3.35Å; R222-R225 WeakPolarHBondContact O-CB 3.15Å; R222-R225 PolarHBondContact O-N 3.42Å; R222-Q244 HydrophobicContact CG-CG 4.29Å |
| 223 | H | 87.9 | Confident | 85.9 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176.5 | 171.8 | 50.6 | 0 | 0 | 0 | 112.6 | C207 C210 F214 D219 L220 R225 T226 H227 | C207-H223 PolarHBondContact SG-CD2 3.24Å; C207-H223 PolarHBondContact SG-NE2 3.3Å; C207-H223 VanDerWaalsContact SG-NE2 3.41Å; C210-H223 PolarHBondContact SG-NE2 3.18Å; F214-H223 HydrophobicContact CE1-CB 3.9Å; F214-H223 HydrophobicContact CE2-CB 3.96Å; F214-H223 AromaticContact CE2-CD2 3.29Å; F214-H223 WeakPolarHBondContact CE2-CD2 3.48Å; F214-H223 AromaticContact CE2-CG 3.76Å; F214-H223 HydrophobicContact CZ-CB 3.45Å; F214-H223 VanDerWaalsContact CZ-CB 3.45Å; F214-H223 AromaticContact CZ-CD2 3.31Å; F214-H223 WeakPolarHBondContact CZ-CD2 3.23Å; F214-H223 AromaticContact CZ-CG 3.31Å; D219-H223 WeakPolarHBondContact O-CB 3.43Å; D219-H223 PolarHBondContact O-N 2.9Å; L220-H223 CarbonylContact O-C 3.5Å; L220-H223 WeakPolarHBondContact O-CA 3.43Å; L220-H223 WeakPolarHBondContact O-CB 3.02Å; L220-H223 PolarHBondContact O-N 2.79Å; H223-R225 PolarHBondContact O-N 3.24Å; H223-T226 PolarHBondContact ND1-OG1 3.37Å; H223-T226 WeakPolarHBondContact O-CB 3.37Å; H223-T226 PolarHBondContact O-N 2.77Å; H223-T226 PolarHBondContact O-OG1 2.8Å; H223-H227 AromaticContact CE1-CD2 3.94Å; H223-H227 AromaticContact CE1-NE2 3.32Å; H223-H227 PolarHBondContact CE1-NE2 2.91Å; H223-H227 VanDerWaalsContact CE1-NE2 3.32Å; H223-H227 AromaticContact NE2-CD2 3.78Å; H223-H227 AromaticContact NE2-NE2 3.12Å; H223-H227 PolarHBondContact NE2-NE2 3.19Å; H223-H227 VanDerWaalsContact NE2-NE2 3.12Å |
| 224 | V | 88.2 | Confident | 86.2 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.4 | -29.5 | 178.2 | 169.2 | 0 | 0 | 0 | 0 | 112.5 | F209 L220 T226 H227 T228 | F209-V224 HydrophobicContact CD2-CG1 4.4Å; F209-V224 HydrophobicContact CE2-CG1 3.87Å; L220-V224 HydrophobicContact CD1-CG2 3.98Å; L220-V224 HydrophobicContact CG-CG2 4.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.31Å; L220-V224 PolarHBondContact O-N 3.27Å; V224-T226 PolarHBondContact O-N 3.36Å; V224-H227 PolarHBondContact O-N 3.36Å; V224-T228 HydrophobicContact CG1-CG2 4.13Å; V224-T228 PolarHBondContact O-N 2.9Å; V224-T228 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 2.95Å |
| 225 | R | 90.6 | Very high | 86.4 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -17.8 | 173.3 | -60.3 | 174.7 | -172.4 | 175.1 | -0.2 | 114.4 | R222 H223 G229 T243 | R222-R225 WeakPolarHBondContact O-CB 3.15Å; R222-R225 PolarHBondContact O-N 3.42Å; H223-R225 PolarHBondContact O-N 3.24Å; R225-G229 PolarHBondContact O-N 2.68Å; R225-T243 HydrophobicContact CB-CG2 4.47Å; R225-T243 PolarHBondContact NH1-O 2.89Å |
| 226 | T | 86.2 | Confident | 86.7 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -78.8 | -26.2 | 173.9 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | H223 V224 | H223-T226 PolarHBondContact ND1-OG1 3.37Å; H223-T226 WeakPolarHBondContact O-CB 3.37Å; H223-T226 PolarHBondContact O-N 2.77Å; H223-T226 PolarHBondContact O-OG1 2.8Å; V224-T226 PolarHBondContact O-N 3.36Å |
| 227 | H | 86 | Confident | 86.8 | Confident | 80 Ų | 80 | 74.5 Ų | 74.5 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -84.6 | -46 | 175.5 | -63.5 | -63.4 | 0 | 0 | 0 | 111.3 | F209 C210 H223 V224 G229 | F209-H227 HydrophobicContact CB-CB 4.2Å; F209-H227 VanDerWaalsContact CB-CD2 3.5Å; F209-H227 WeakPolarHBondContact CB-CD2 3.42Å; F209-H227 HydrophobicContact CD1-CB 4.17Å; F209-H227 HydrophobicContact CD2-CB 4.15Å; F209-H227 HydrophobicContact CG-CB 3.91Å; F209-H227 AromaticContact CG-CD2 3.93Å; F209-H227 AromaticContact CG-CG 3.91Å; C210-H227 PolarHBondContact SG-NE2 3.37Å; H223-H227 AromaticContact CE1-CD2 3.94Å; H223-H227 AromaticContact CE1-NE2 3.32Å; H223-H227 PolarHBondContact CE1-NE2 2.91Å; H223-H227 VanDerWaalsContact CE1-NE2 3.32Å; H223-H227 AromaticContact NE2-CD2 3.78Å; H223-H227 AromaticContact NE2-NE2 3.12Å; H223-H227 PolarHBondContact NE2-NE2 3.19Å; H223-H227 VanDerWaalsContact NE2-NE2 3.12Å; V224-H227 PolarHBondContact O-N 3.36Å; H227-G229 VanDerWaalsContact C-N 3.26Å; H227-G229 PolarHBondContact O-N 3.12Å |
| 228 | T | 85.9 | Confident | 86.9 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -78.9 | -6.3 | -178.9 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | F209 V224 V230 | F209-T228 HydrophobicContact CZ-CG2 4.2Å; V224-T228 HydrophobicContact CG1-CG2 4.13Å; V224-T228 PolarHBondContact O-N 2.9Å; V224-T228 VanDerWaalsContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 2.95Å; T228-V230 PolarHBondContact O-N 3.05Å; T228-V230 WeakPolarHBondContact OG1-CG2 3.39Å |
| 229 | G | 84.8 | Confident | 87 | Confident | 49 Ų | 49 | 74.4 Ų | 74.4 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | trans | 65.1 | 4.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R225 H227 R231 | R225-G229 PolarHBondContact O-N 2.68Å; H227-G229 VanDerWaalsContact C-N 3.26Å; H227-G229 PolarHBondContact O-N 3.12Å; G229-R231 WeakPolarHBondContact O-CG 3.22Å; G229-R231 PolarHBondContact O-N 2.8Å | ||
| 230 | V | 87.6 | Confident | 87.1 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 49% | 0.485 | 41% | 0.412 | S | S | . | . | trans | -68.1 | 117.7 | -172.6 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | T228 P232 | T228-V230 PolarHBondContact O-N 3.05Å; T228-V230 WeakPolarHBondContact OG1-CG2 3.39Å; V230-P232 VanDerWaalsContact O-CD 3.26Å; V230-P232 WeakPolarHBondContact O-CD 3.34Å | ||
| 231 | R | 88.3 | Confident | 87.3 | Confident | 134 Ų | 134 | 78.5 Ų | 78.5 | 51% | 0.506 | 41% | 0.411 | S | S | . | . | trans | -116 | 80.2 | -176.8 | -69.4 | 164.1 | 88.4 | 130.8 | 3 | 110.3 | G229 Y233 A241 F242 T243 | G229-R231 WeakPolarHBondContact O-CG 3.22Å; G229-R231 PolarHBondContact O-N 2.8Å; R231-Y233 VanDerWaalsContact C-N 3.26Å; R231-Y233 PolarHBondContact O-N 3Å; R231-A241 HydrophobicContact CB-CB 3.58Å; R231-A241 PolarHBondContact NE-O 3.47Å; R231-A241 PolarHBondContact NH2-O 3.49Å; R231-F242 CarbonylContact C-O 3.59Å; R231-F242 VanDerWaalsContact C-O 3.3Å; R231-F242 WeakPolarHBondContact CA-O 3.2Å; R231-T243 HydrophobicContact CG-CG2 3.75Å | ||
| 232 | P | 87.3 | Confident | 87.3 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | trans | -73.5 | -15.5 | -171.5 | 30.2 | -34.9 | 0 | 0 | 0 | 113.6 | V230 K234 | V230-P232 VanDerWaalsContact O-CD 3.26Å; V230-P232 WeakPolarHBondContact O-CD 3.34Å; P232-K234 PolarHBondContact O-N 3.24Å | ||
| 233 | Y | 90.6 | Very high | 87.4 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 89.1 | -177.6 | -54.6 | -71 | 0 | 0 | 0 | 110.3 | R231 A241 F242 T243 R245 | R231-Y233 VanDerWaalsContact C-N 3.26Å; R231-Y233 PolarHBondContact O-N 3Å; Y233-A241 CarbonylContact O-C 3.53Å; Y233-A241 WeakPolarHBondContact O-CA 3.41Å; Y233-F242 PolarHBondContact N-O 2.8Å; Y233-F242 VanDerWaalsContact N-O 3.12Å; Y233-F242 PolarHBondContact O-N 3.23Å; Y233-T243 WeakPolarHBondContact CE2-O 3.29Å; Y233-R245 HydrophobicContact CD1-CB 4.23Å; Y233-R245 HydrophobicContact CE1-CB 4.07Å; Y233-R245 HydrophobicContact CE2-CB 4.49Å |
| 234 | K | 88.3 | Confident | 87.4 | Confident | 164 Ų | 164 | 74.4 Ų | 74.4 | 71% | 0.713 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 142.8 | 175.6 | -62.2 | -175 | -179 | -179.5 | 0 | 111.2 | P232 A241 | P232-K234 PolarHBondContact O-N 3.24Å; K234-A241 HydrophobicContact CG-CB 4.04Å |
| 235 | C | 88.1 | Confident | 87.5 | Confident | 13 Ų | 13 | 81.4 Ų | 81.4 | 9% | 0.088 | 42% | 0.424 | C | S | . | . | trans | -70.9 | 143.2 | 164.7 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | L237 C238 K240 L248 M252 | C235-L237 PolarHBondContact SG-N 3.12Å; C235-C238 CarbonylContact C-O 3.57Å; C235-C238 WeakPolarHBondContact CB-O 3.44Å; C235-C238 PolarHBondContact SG-N 3.02Å; C235-K240 WeakPolarHBondContact CB-O 3.37Å; C235-K240 PolarHBondContact N-O 3.29Å; C235-L248 HydrophobicContact CB-CD1 3.99Å; C235-M252 HydrophobicContact CB-CE 3.73Å; C235-M252 WeakPolarHBondContact SG-CE 3.37Å | ||
| 236 | S | 85.5 | Confident | 87.3 | Confident | 108 Ų | 108 | 81.9 Ų | 81.9 | 76% | 0.755 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -94.1 | -1 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 237 | L | 82.9 | Confident | 87.5 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -122.3 | -5.4 | -175.5 | -60.9 | 176.2 | 0 | 0 | 0 | 112.9 | C235 H256 T259 L260 | C235-L237 PolarHBondContact SG-N 3.12Å; L237-H256 WeakPolarHBondContact CB-ND1 3.46Å; L237-H256 HydrophobicContact CD1-CB 3.63Å; L237-T259 HydrophobicContact CD1-CG2 3.97Å; L237-T259 HydrophobicContact CD2-CG2 4.12Å; L237-L260 HydrophobicContact CD1-CD2 3.7Å; L237-L260 HydrophobicContact CD1-CG 3.86Å |
| 238 | C | 85.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -164.1 | 166.9 | 167.9 | 67 | 0 | 0 | 0 | 0 | 109.6 | C235 K240 H251 H256 | C235-C238 CarbonylContact C-O 3.57Å; C235-C238 WeakPolarHBondContact CB-O 3.44Å; C235-C238 PolarHBondContact SG-N 3.02Å; C238-K240 PolarHBondContact O-N 2.94Å; C238-H251 PolarHBondContact SG-NE2 3.13Å; C238-H256 PolarHBondContact SG-NE2 2.85Å |
| 239 | D | 86 | Confident | 87.9 | Confident | 171 Ų | 171 | 78.4 Ų | 78.4 | 91% | 0.914 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -74.4 | 12.5 | -173.2 | -51.3 | -67.5 | 0 | 0 | 0 | 115.2 | A241 | D239-A241 PolarHBondContact O-N 3.27Š|
| 240 | K | 87.3 | Confident | 88 | Confident | 131 Ų | 131 | 78.9 Ų | 78.9 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | trans | -77.8 | 115.5 | -178.5 | -62.8 | -164.3 | -175.9 | -156.6 | 0 | 111.4 | C235 C238 F242 | C235-K240 WeakPolarHBondContact CB-O 3.37Å; C235-K240 PolarHBondContact N-O 3.29Å; C238-K240 PolarHBondContact O-N 2.94Å; K240-F242 HydrophobicContact CB-CE2 3.85Å; K240-F242 HydrophobicContact CB-CZ 3.96Å; K240-F242 VanDerWaalsContact O-CE2 3.29Å; K240-F242 WeakPolarHBondContact O-CE2 3.37Å | ||
| 241 | A | 90.3 | Very high | 88.1 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 156.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R231 Y233 K234 D239 | R231-A241 HydrophobicContact CB-CB 3.58Å; R231-A241 PolarHBondContact NE-O 3.47Å; R231-A241 PolarHBondContact NH2-O 3.49Å; Y233-A241 CarbonylContact O-C 3.53Å; Y233-A241 WeakPolarHBondContact O-CA 3.41Å; K234-A241 HydrophobicContact CG-CB 4.04Å; D239-A241 PolarHBondContact O-N 3.27Å |
| 242 | F | 89.1 | Confident | 88 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.7 | -178.9 | -59.7 | -91.5 | 0 | 0 | 0 | 112 | R231 Y233 K240 Q244 L248 H251 | R231-F242 CarbonylContact C-O 3.59Å; R231-F242 VanDerWaalsContact C-O 3.3Å; R231-F242 WeakPolarHBondContact CA-O 3.2Å; Y233-F242 PolarHBondContact N-O 2.8Å; Y233-F242 VanDerWaalsContact N-O 3.12Å; Y233-F242 PolarHBondContact O-N 3.23Å; K240-F242 HydrophobicContact CB-CE2 3.85Å; K240-F242 HydrophobicContact CB-CZ 3.96Å; K240-F242 VanDerWaalsContact O-CE2 3.29Å; K240-F242 WeakPolarHBondContact O-CE2 3.37Å; F242-Q244 VanDerWaalsContact C-N 3.35Å; F242-L248 HydrophobicContact CB-CB 4.34Å; F242-L248 HydrophobicContact CD2-CB 3.97Å; F242-L248 HydrophobicContact CD2-CD1 3.79Å; F242-L248 HydrophobicContact CE2-CD1 4.02Å; F242-L248 HydrophobicContact CG-CB 4.28Å; F242-H251 HydrophobicContact CE1-CB 4.02Å; F242-H251 HydrophobicContact CE2-CB 4.05Å; F242-H251 AromaticContact CE2-CD2 3.21Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.22Å; F242-H251 AromaticContact CE2-CG 3.76Å; F242-H251 AromaticContact CE2-NE2 3.97Å; F242-H251 HydrophobicContact CZ-CB 3.53Å; F242-H251 AromaticContact CZ-CD2 3.3Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.3Å; F242-H251 AromaticContact CZ-CG 3.35Å |
| 243 | T | 88.8 | Confident | 88 | Confident | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -78.8 | -18.2 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | R225 R231 Y233 | R225-T243 HydrophobicContact CB-CG2 4.47Å; R225-T243 PolarHBondContact NH1-O 2.89Å; R231-T243 HydrophobicContact CG-CG2 3.75Å; Y233-T243 WeakPolarHBondContact CE2-O 3.29Å |
| 244 | Q | 88.7 | Confident | 87.7 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 30% | 0.304 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -136.7 | 145.5 | -176.1 | -51.5 | -174.7 | 34.4 | 0 | 0 | 112.5 | R222 F242 S247 L248 | R222-Q244 HydrophobicContact CG-CG 4.29Å; F242-Q244 VanDerWaalsContact C-N 3.35Å; Q244-S247 PolarHBondContact O-N 3.37Å; Q244-L248 PolarHBondContact O-N 3.45Å |
| 245 | R | 88.9 | Confident | 87.6 | Confident | 173 Ų | 173 | 76.9 Ų | 76.9 | 65% | 0.653 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | -180 | -177.2 | -179.4 | -72.6 | 143.1 | -5.4 | 113.1 | Y233 S247 L248 E249 | Y233-R245 HydrophobicContact CD1-CB 4.23Å; Y233-R245 HydrophobicContact CE1-CB 4.07Å; Y233-R245 HydrophobicContact CE2-CB 4.49Å; R245-S247 VanDerWaalsContact C-N 3.27Å; R245-S247 PolarHBondContact O-N 3.22Å; R245-L248 WeakPolarHBondContact O-CB 3.21Å; R245-L248 PolarHBondContact O-N 2.9Å; R245-E249 PolarHBondContact O-N 2.93Å |
| 246 | C | 86.9 | Confident | 87.4 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -31.9 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | S250 | C246-S250 WeakPolarHBondContact O-CB 3.39Å; C246-S250 PolarHBondContact O-N 2.8Å; C246-S250 PolarHBondContact O-OG 3.06Å |
| 247 | S | 89.7 | Confident | 87 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 173.3 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | Q244 R245 S250 H251 | Q244-S247 PolarHBondContact O-N 3.37Å; R245-S247 VanDerWaalsContact C-N 3.27Å; R245-S247 PolarHBondContact O-N 3.22Å; S247-S250 PolarHBondContact O-N 3.49Å; S247-H251 WeakPolarHBondContact O-CB 3.41Å; S247-H251 PolarHBondContact O-N 2.64Å |
| 248 | L | 91.8 | Very high | 86.3 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 172.3 | 173.5 | 65.7 | 0 | 0 | 0 | 111 | C235 F242 Q244 R245 S250 H251 M252 | C235-L248 HydrophobicContact CB-CD1 3.99Å; F242-L248 HydrophobicContact CB-CB 4.34Å; F242-L248 HydrophobicContact CD2-CB 3.97Å; F242-L248 HydrophobicContact CD2-CD1 3.79Å; F242-L248 HydrophobicContact CE2-CD1 4.02Å; F242-L248 HydrophobicContact CG-CB 4.28Å; Q244-L248 PolarHBondContact O-N 3.45Å; R245-L248 WeakPolarHBondContact O-CB 3.21Å; R245-L248 PolarHBondContact O-N 2.9Å; L248-S250 PolarHBondContact O-N 2.92Å; L248-H251 WeakPolarHBondContact O-CB 3.42Å; L248-H251 PolarHBondContact O-N 2.56Å; L248-M252 HydrophobicContact CD1-CE 3.6Å; L248-M252 HydrophobicContact CD1-CG 4.5Å; L248-M252 WeakPolarHBondContact O-CG 3.48Å; L248-M252 PolarHBondContact O-N 3Å |
| 249 | E | 88.9 | Confident | 85.4 | Confident | 94 Ų | 94 | 76.4 Ų | 76.4 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 179.2 | -167.1 | -165.9 | 149.7 | 0 | 0 | 112.5 | R245 H251 M252 K253 | R245-E249 PolarHBondContact O-N 2.93Å; E249-H251 VanDerWaalsContact C-N 3.35Å; E249-M252 WeakPolarHBondContact O-CB 3.34Å; E249-M252 PolarHBondContact O-N 2.92Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.18Å; E249-K253 WeakPolarHBondContact O-CG 3.47Å; E249-K253 PolarHBondContact O-N 2.79Å; E249-K253 WeakPolarHBondContact OE1-CE 3.33Å; E249-K253 IonicContact OE1-NZ 3.43Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å |
| 250 | S | 88.1 | Confident | 84.5 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 174 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | C246 S247 L248 K253 K254 | C246-S250 WeakPolarHBondContact O-CB 3.39Å; C246-S250 PolarHBondContact O-N 2.8Å; C246-S250 PolarHBondContact O-OG 3.06Å; S247-S250 PolarHBondContact O-N 3.49Å; L248-S250 PolarHBondContact O-N 2.92Å; S250-K253 PolarHBondContact O-N 3.49Å; S250-K254 VanDerWaalsContact O-CB 3.31Å; S250-K254 WeakPolarHBondContact O-CB 3.09Å; S250-K254 VanDerWaalsContact O-CG 3.28Å; S250-K254 WeakPolarHBondContact O-CG 3.4Å; S250-K254 PolarHBondContact O-N 3.05Å |
| 251 | H | 89.1 | Confident | 83.3 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 174.1 | 164 | 56.3 | 0 | 0 | 0 | 111.7 | C238 F242 S247 L248 E249 K254 I255 H256 | C238-H251 PolarHBondContact SG-NE2 3.13Å; F242-H251 HydrophobicContact CE1-CB 4.02Å; F242-H251 HydrophobicContact CE2-CB 4.05Å; F242-H251 AromaticContact CE2-CD2 3.21Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.22Å; F242-H251 AromaticContact CE2-CG 3.76Å; F242-H251 AromaticContact CE2-NE2 3.97Å; F242-H251 HydrophobicContact CZ-CB 3.53Å; F242-H251 AromaticContact CZ-CD2 3.3Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.3Å; F242-H251 AromaticContact CZ-CG 3.35Å; S247-H251 WeakPolarHBondContact O-CB 3.41Å; S247-H251 PolarHBondContact O-N 2.64Å; L248-H251 WeakPolarHBondContact O-CB 3.42Å; L248-H251 PolarHBondContact O-N 2.56Å; E249-H251 VanDerWaalsContact C-N 3.35Å; H251-K254 PolarHBondContact O-N 3.06Å; H251-I255 VanDerWaalsContact ND1-CG1 3.33Å; H251-I255 WeakPolarHBondContact ND1-CG1 3.48Å; H251-I255 WeakPolarHBondContact O-CB 3.43Å; H251-I255 PolarHBondContact O-N 2.86Å; H251-H256 AromaticContact CE1-CD2 3.69Å; H251-H256 AromaticContact CE1-NE2 3.49Å; H251-H256 PolarHBondContact CE1-NE2 2.76Å; H251-H256 AromaticContact NE2-CD2 3.69Å; H251-H256 AromaticContact NE2-NE2 3.49Å; H251-H256 PolarHBondContact NE2-NE2 3.07Å |
| 252 | M | 86.9 | Confident | 81.7 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.6 | -55.6 | 172.1 | -78.6 | -42.2 | 92.2 | 0 | 0 | 110.3 | C235 L248 E249 K254 H256 S257 L260 | C235-M252 HydrophobicContact CB-CE 3.73Å; C235-M252 WeakPolarHBondContact SG-CE 3.37Å; L248-M252 HydrophobicContact CD1-CE 3.6Å; L248-M252 HydrophobicContact CD1-CG 4.5Å; L248-M252 WeakPolarHBondContact O-CG 3.48Å; L248-M252 PolarHBondContact O-N 3Å; E249-M252 WeakPolarHBondContact O-CB 3.34Å; E249-M252 PolarHBondContact O-N 2.92Å; M252-K254 VanDerWaalsContact C-N 3.33Å; M252-K254 PolarHBondContact O-N 2.88Å; M252-H256 CarbonylContact O-C 3.41Å; M252-H256 VanDerWaalsContact O-C 3.27Å; M252-H256 WeakPolarHBondContact O-CA 3.18Å; M252-H256 PolarHBondContact O-N 3.37Å; M252-S257 PolarHBondContact O-N 3.02Å; M252-L260 HydrophobicContact CB-CD1 3.5Å; M252-L260 HydrophobicContact CG-CD1 4.02Å; M252-L260 WeakPolarHBondContact O-CD1 3.31Å; M252-L260 HydrophobicContact SD-CD1 3.95Å |
| 253 | K | 86.6 | Confident | 80.4 | Confident | 137 Ų | 137 | 77.8 Ų | 77.8 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.1 | -26.7 | -177.1 | -75.5 | 173.3 | 170.7 | 172.6 | 0 | 114.6 | E249 S250 S257 | E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.18Å; E249-K253 WeakPolarHBondContact O-CG 3.47Å; E249-K253 PolarHBondContact O-N 2.79Å; E249-K253 WeakPolarHBondContact OE1-CE 3.33Å; E249-K253 IonicContact OE1-NZ 3.43Å; E249-K253 PolarHBondContact OE1-NZ 3.02Å; S250-K253 PolarHBondContact O-N 3.49Å; K253-S257 VanDerWaalsContact O-CB 3.26Å; K253-S257 WeakPolarHBondContact O-CB 3.41Å |
| 254 | K | 84.9 | Confident | 78.8 | Confident | 166 Ų | 166 | 83.3 Ų | 83.3 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -95.1 | -42.8 | -178.4 | -70.4 | -179.4 | 178.2 | -170.8 | 0 | 113.6 | S250 H251 M252 | S250-K254 VanDerWaalsContact O-CB 3.31Å; S250-K254 WeakPolarHBondContact O-CB 3.09Å; S250-K254 VanDerWaalsContact O-CG 3.28Å; S250-K254 WeakPolarHBondContact O-CG 3.4Å; S250-K254 PolarHBondContact O-N 3.05Å; H251-K254 PolarHBondContact O-N 3.06Å; M252-K254 VanDerWaalsContact C-N 3.33Å; M252-K254 PolarHBondContact O-N 2.88Å |
| 255 | I | 85.7 | Confident | 77.1 | Confident | 117 Ų | 117 | 86.5 Ų | 86.5 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -98.8 | -39.6 | -171.5 | -52.9 | -56.9 | 0 | 0 | 0 | 111.8 | H251 | H251-I255 VanDerWaalsContact ND1-CG1 3.33Å; H251-I255 WeakPolarHBondContact ND1-CG1 3.48Å; H251-I255 WeakPolarHBondContact O-CB 3.43Å; H251-I255 PolarHBondContact O-N 2.86Å |
| 256 | H | 83.1 | Confident | 75.5 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 8% | 0.083 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -104.4 | 21.4 | -178.8 | -60.8 | -76.2 | 0 | 0 | 0 | 112.4 | L237 C238 H251 M252 V258 T259 L260 | L237-H256 WeakPolarHBondContact CB-ND1 3.46Å; L237-H256 HydrophobicContact CD1-CB 3.63Å; C238-H256 PolarHBondContact SG-NE2 2.85Å; H251-H256 AromaticContact CE1-CD2 3.69Å; H251-H256 AromaticContact CE1-NE2 3.49Å; H251-H256 PolarHBondContact CE1-NE2 2.76Å; H251-H256 AromaticContact NE2-CD2 3.69Å; H251-H256 AromaticContact NE2-NE2 3.49Å; H251-H256 PolarHBondContact NE2-NE2 3.07Å; M252-H256 CarbonylContact O-C 3.41Å; M252-H256 VanDerWaalsContact O-C 3.27Å; M252-H256 WeakPolarHBondContact O-CA 3.18Å; M252-H256 PolarHBondContact O-N 3.37Å; H256-V258 PolarHBondContact O-N 2.82Å; H256-T259 PolarHBondContact O-N 3.12Å; H256-L260 HydrophobicContact CB-CD1 3.89Å; H256-L260 HydrophobicContact CB-CG 4.02Å; H256-L260 VanDerWaalsContact O-CB 3.25Å; H256-L260 WeakPolarHBondContact O-CB 3.39Å; H256-L260 VanDerWaalsContact O-CG 3.25Å; H256-L260 WeakPolarHBondContact O-CG 3.35Å; H256-L260 PolarHBondContact O-N 2.84Å |
| 257 | S | 76.9 | Confident | 73.9 | Confident | 46 Ų | 46 | 90.8 Ų | 90.8 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54 | -39.7 | -176 | 68.4 | 0 | 0 | 0 | 0 | 113 | M252 K253 K261 | M252-S257 PolarHBondContact O-N 3.02Å; K253-S257 VanDerWaalsContact O-CB 3.26Å; K253-S257 WeakPolarHBondContact O-CB 3.41Å; S257-K261 VanDerWaalsContact O-CG 3.25Å; S257-K261 WeakPolarHBondContact O-CG 3.33Å; S257-K261 PolarHBondContact O-N 3.41Å |
| 258 | V | 69.5 | Low | 72.1 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.6 | -54.3 | 178.5 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | H256 L260 K261 Y262 | H256-V258 PolarHBondContact O-N 2.82Å; V258-L260 VanDerWaalsContact C-N 3.27Å; V258-L260 PolarHBondContact O-N 3.26Å; V258-K261 WeakPolarHBondContact O-CB 3.46Å; V258-K261 PolarHBondContact O-N 3.18Å; V258-K261 VanDerWaalsContact O-N 3.08Å; V258-Y262 HydrophobicContact CG1-CD2 3.85Å; V258-Y262 HydrophobicContact CG1-CE2 3.51Å; V258-Y262 WeakPolarHBondContact O-CD2 3.05Å; V258-Y262 PolarHBondContact O-N 3.26Å |
| 259 | T | 66.3 | Low | 70.3 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.8 | -37.6 | 179.2 | -41.6 | 0 | 0 | 0 | 0 | 112.5 | L237 H256 Y262 A263 | L237-T259 HydrophobicContact CD1-CG2 3.97Å; L237-T259 HydrophobicContact CD2-CG2 4.12Å; H256-T259 PolarHBondContact O-N 3.12Å; T259-Y262 PolarHBondContact O-N 3.31Å; T259-A263 VanDerWaalsContact O-CB 3.31Å; T259-A263 WeakPolarHBondContact O-CB 3.25Å; T259-A263 PolarHBondContact O-N 2.99Å |
| 260 | L | 66.8 | Low | 69.2 | Low | 46 Ų | 46 | 99.4 Ų | 99.4 | 24% | 0.241 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -75.6 | -32.3 | 177.2 | -69.1 | 167.7 | 0 | 0 | 0 | 112.7 | L237 M252 H256 V258 Y262 Y264 | L237-L260 HydrophobicContact CD1-CD2 3.7Å; L237-L260 HydrophobicContact CD1-CG 3.86Å; M252-L260 HydrophobicContact CB-CD1 3.5Å; M252-L260 HydrophobicContact CG-CD1 4.02Å; M252-L260 WeakPolarHBondContact O-CD1 3.31Å; M252-L260 HydrophobicContact SD-CD1 3.95Å; H256-L260 HydrophobicContact CB-CD1 3.89Å; H256-L260 HydrophobicContact CB-CG 4.02Å; H256-L260 VanDerWaalsContact O-CB 3.25Å; H256-L260 WeakPolarHBondContact O-CB 3.39Å; H256-L260 VanDerWaalsContact O-CG 3.25Å; H256-L260 WeakPolarHBondContact O-CG 3.35Å; H256-L260 PolarHBondContact O-N 2.84Å; V258-L260 VanDerWaalsContact C-N 3.27Å; V258-L260 PolarHBondContact O-N 3.26Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-Y264 WeakPolarHBondContact O-CB 3.31Å; L260-Y264 PolarHBondContact O-N 2.79Å |
| 261 | K | 61.7 | Low | 68.5 | Low | 156 Ų | 156 | 100.1 Ų | 100.1 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 168.3 | -81 | 171.8 | 179 | -177 | 0 | 110.4 | S257 V258 K265 | S257-K261 VanDerWaalsContact O-CG 3.25Å; S257-K261 WeakPolarHBondContact O-CG 3.33Å; S257-K261 PolarHBondContact O-N 3.41Å; V258-K261 WeakPolarHBondContact O-CB 3.46Å; V258-K261 PolarHBondContact O-N 3.18Å; V258-K261 VanDerWaalsContact O-N 3.08Å; K261-K265 WeakPolarHBondContact O-CB 3.28Å; K261-K265 PolarHBondContact O-N 3.2Å |
| 262 | Y | 57.6 | Low | 67.8 | Low | 158 Ų | 158 | 103.6 Ų | 103.6 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.2 | -48.8 | 175.5 | -70.4 | -67.9 | 0 | 0 | 0 | 112.6 | V258 T259 L260 Y264 K265 E266 | V258-Y262 HydrophobicContact CG1-CD2 3.85Å; V258-Y262 HydrophobicContact CG1-CE2 3.51Å; V258-Y262 WeakPolarHBondContact O-CD2 3.05Å; V258-Y262 PolarHBondContact O-N 3.26Å; T259-Y262 PolarHBondContact O-N 3.31Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; Y262-Y264 VanDerWaalsContact C-N 3.29Å; Y262-Y264 PolarHBondContact O-N 3.35Å; Y262-K265 CarbonylContact O-C 3.3Å; Y262-K265 WeakPolarHBondContact O-CA 3.49Å; Y262-K265 WeakPolarHBondContact O-CB 3.25Å; Y262-K265 PolarHBondContact O-N 2.98Å; Y262-K265 VanDerWaalsContact O-N 3.12Å; Y262-E266 WeakPolarHBondContact O-CB 3.4Å; Y262-E266 PolarHBondContact O-N 3.48Å |
| 263 | A | 61.7 | Low | 67.3 | Low | 24 Ų | 24 | 105.9 Ų | 105.9 | 20% | 0.198 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -71 | -18.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T259 R267 | T259-A263 VanDerWaalsContact O-CB 3.31Å; T259-A263 WeakPolarHBondContact O-CB 3.25Å; T259-A263 PolarHBondContact O-N 2.99Å; A263-R267 PolarHBondContact O-N 3.42Å; A263-R267 PolarHBondContact O-NE 2.65Å |
| 264 | Y | 55.3 | Low | 66.9 | Low | 153 Ų | 153 | 99.4 Ų | 99.4 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -83.9 | -39.7 | 167.5 | -175.6 | -97.7 | 0 | 0 | 0 | 111 | L260 Y262 R267 R268 | L260-Y264 WeakPolarHBondContact O-CB 3.31Å; L260-Y264 PolarHBondContact O-N 2.79Å; Y262-Y264 VanDerWaalsContact C-N 3.29Å; Y262-Y264 PolarHBondContact O-N 3.35Å; Y264-R267 PolarHBondContact O-N 3.47Å; Y264-R268 WeakPolarHBondContact O-CB 3.42Å; Y264-R268 PolarHBondContact O-N 2.86Å |
| 265 | K | 52.7 | Low | 66.4 | Low | 133 Ų | 133 | 97.8 Ų | 97.8 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.6 | -50.8 | 171.1 | -169.7 | 175.2 | -176.9 | -176.7 | 0 | 109.5 | K261 Y262 R267 R268 N269 | K261-K265 WeakPolarHBondContact O-CB 3.28Å; K261-K265 PolarHBondContact O-N 3.2Å; Y262-K265 CarbonylContact O-C 3.3Å; Y262-K265 WeakPolarHBondContact O-CA 3.49Å; Y262-K265 WeakPolarHBondContact O-CB 3.25Å; Y262-K265 PolarHBondContact O-N 2.98Å; Y262-K265 VanDerWaalsContact O-N 3.12Å; K265-R267 PolarHBondContact O-N 3.46Å; K265-R268 CarbonylContact O-C 3.53Å; K265-R268 WeakPolarHBondContact O-CA 3.43Å; K265-R268 PolarHBondContact O-N 3.39Å; K265-N269 WeakPolarHBondContact O-CA 3.07Å; K265-N269 WeakPolarHBondContact O-CB 3.46Å; K265-N269 PolarHBondContact O-N 3.33Å |
| 266 | E | 55.3 | Low | 65.8 | Low | 146 Ų | 146 | 97 Ų | 97 | 68% | 0.682 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -57.3 | -45 | 178.3 | -171 | 172.4 | -152.3 | 0 | 0 | 113.3 | Y262 R268 N269 | Y262-E266 WeakPolarHBondContact O-CB 3.4Å; Y262-E266 PolarHBondContact O-N 3.48Å; E266-R268 VanDerWaalsContact C-N 3.27Å; E266-R268 PolarHBondContact O-N 3Å; E266-N269 CarbonylContact O-C 3.38Å; E266-N269 PolarHBondContact O-N 3.05Å |
| 267 | R | 52.7 | Low | 65.5 | Low | 184 Ų | 184 | 99.4 Ų | 99.4 | 69% | 0.694 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.3 | -24.2 | 173.6 | -87.1 | -178.8 | -74.3 | 175.5 | -9.3 | 114.5 | A263 Y264 K265 | A263-R267 PolarHBondContact O-N 3.42Å; A263-R267 PolarHBondContact O-NE 2.65Å; Y264-R267 PolarHBondContact O-N 3.47Å; K265-R267 PolarHBondContact O-N 3.46Å |
| 268 | R | 51.9 | Low | 65.4 | Low | 197 Ų | 197 | 99.4 Ų | 99.4 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -91.1 | -23.2 | 173.1 | -178 | 173.7 | 162.2 | 153.3 | -2.7 | 112.5 | Y264 K265 E266 K270 | Y264-R268 WeakPolarHBondContact O-CB 3.42Å; Y264-R268 PolarHBondContact O-N 2.86Å; K265-R268 CarbonylContact O-C 3.53Å; K265-R268 WeakPolarHBondContact O-CA 3.43Å; K265-R268 PolarHBondContact O-N 3.39Å; E266-R268 VanDerWaalsContact C-N 3.27Å; E266-R268 PolarHBondContact O-N 3Å; R268-K270 PolarHBondContact O-N 3.44Å |
| 269 | N | 54.8 | Low | 65.9 | Low | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.444 | 47% | 0.469 | S | S | . | . | trans | -91.8 | 40.3 | 178.3 | -157.2 | 91.2 | 0 | 0 | 0 | 109.7 | K265 E266 L271 | K265-N269 WeakPolarHBondContact O-CA 3.07Å; K265-N269 WeakPolarHBondContact O-CB 3.46Å; K265-N269 PolarHBondContact O-N 3.33Å; E266-N269 CarbonylContact O-C 3.38Å; E266-N269 PolarHBondContact O-N 3.05Å; N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 2.89Å | ||
| 270 | K | 65.8 | Low | 66.2 | Low | 68 Ų | 68 | 100.3 Ų | 100.3 | 30% | 0.296 | 47% | 0.472 | S | S | . | . | trans | -73.6 | 90.4 | 170.5 | -176.3 | -179.9 | -179.6 | -177.9 | 0 | 106.9 | R268 Y272 R307 R308 | R268-K270 PolarHBondContact O-N 3.44Å; K270-Y272 PolarHBondContact O-N 2.87Å; K270-R307 VanDerWaalsContact NZ-CG 3.31Å; K270-R308 WeakPolarHBondContact CE-O 3.33Å; K270-R308 PolarHBondContact NZ-O 3.08Å | ||
| 271 | L | 73.8 | Confident | 66.6 | Low | 75 Ų | 75 | 98.3 Ų | 98.3 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | trans | -60 | 133.6 | -180 | -58.4 | 176.9 | 0 | 0 | 0 | 109.7 | N269 A281 | N269-L271 VanDerWaalsContact C-N 3.28Å; N269-L271 PolarHBondContact O-N 2.89Å; L271-A281 CarbonylContact C-O 3.53Å; L271-A281 VanDerWaalsContact CA-O 3.26Å; L271-A281 WeakPolarHBondContact CA-O 3.22Å | ||
| 272 | Y | 74.6 | Confident | 67.1 | Low | 89 Ų | 89 | 92.8 Ų | 92.8 | 35% | 0.349 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.5 | 171.8 | -67.5 | -95 | 0 | 0 | 0 | 107.2 | K270 A281 Q284 | K270-Y272 PolarHBondContact O-N 2.87Å; Y272-A281 PolarHBondContact N-O 2.8Å; Y272-A281 PolarHBondContact O-N 3.45Å; Y272-Q284 HydrophobicContact CD1-CB 4.15Å; Y272-Q284 HydrophobicContact CD1-CG 4.33Å; Y272-Q284 HydrophobicContact CE1-CB 3.85Å; Y272-Q284 HydrophobicContact CE1-CG 4.15Å; Y272-Q284 HydrophobicContact CE2-CB 4.24Å; Y272-Q284 HydrophobicContact CG-CB 4.48Å |
| 273 | V | 75.3 | Confident | 68 | Low | 75 Ų | 75 | 88.1 Ų | 88.1 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.6 | -174.4 | -169.1 | 0 | 0 | 0 | 0 | 109.2 | E275 H279 T280 | V273-E275 PolarHBondContact O-N 2.74Å; V273-H279 CarbonylContact C-O 3.58Å; V273-H279 WeakPolarHBondContact CA-O 3.38Å; V273-T280 HydrophobicContact CG1-CG2 4.28Å; V273-T280 HydrophobicContact CG2-CG2 4.11Å |
| 274 | C | 78.9 | Confident | 68.8 | Low | 1 Ų | 1 | 91.2 Ų | 91.2 | 1% | 0.007 | 45% | 0.447 | C | S | . | . | trans | -70.3 | 120 | 168.5 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | E276 G278 H279 L287 H290 | C274-E276 PolarHBondContact O-N 3.42Å; C274-G278 VanDerWaalsContact O-CA 3.22Å; C274-G278 WeakPolarHBondContact O-CA 3.24Å; C274-G278 PolarHBondContact O-N 3.19Å; C274-H279 HydrophobicContact CB-CB 4.17Å; C274-H279 PolarHBondContact N-O 2.86Å; C274-L287 HydrophobicContact CB-CD1 3.64Å; C274-H290 PolarHBondContact SG-NE2 3.23Å; C274-H290 VanDerWaalsContact SG-NE2 3.42Å | ||
| 275 | E | 74 | Confident | 69.9 | Low | 131 Ų | 131 | 89.4 Ų | 89.4 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -16.1 | 179.6 | -66.5 | -170.3 | 153.8 | 0 | 0 | 112.4 | V273 R308 | V273-E275 PolarHBondContact O-N 2.74Å; E275-R308 IonicContact OE1-CZ 3.41Å; E275-R308 IonicContact OE1-NE 3.05Å; E275-R308 PolarHBondContact OE1-NE 3.35Å; E275-R308 IonicContact OE1-NH2 2.9Å; E275-R308 PolarHBondContact OE1-NH2 3.35Å; E275-R308 IonicContact OE2-NH2 3.94Å |
| 276 | E | 73.9 | Confident | 71.1 | Confident | 102 Ų | 102 | 87.1 Ų | 87.1 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -30.4 | -179.4 | -68.7 | 179.7 | -143.2 | 0 | 0 | 114.6 | C274 H295 S298 | C274-E276 PolarHBondContact O-N 3.42Å; E276-H295 WeakPolarHBondContact CB-ND1 3.19Å; E276-H295 IonicContact OE2-CE1 2.64Å; E276-H295 IonicContact OE2-CG 2.74Å; E276-H295 IonicContact OE2-ND1 3.73Å; E276-H295 PolarHBondContact OE2-ND1 3.15Å; E276-S298 WeakPolarHBondContact OE1-CA 3.26Å; E276-S298 WeakPolarHBondContact OE1-CB 3.49Å; E276-S298 PolarHBondContact OE1-OG 2.92Å |
| 277 | C | 77.1 | Confident | 72.3 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 46% | 0.459 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | 1.3 | -178.5 | 70.4 | 0 | 0 | 0 | 0 | 114.9 | H279 H290 H295 | C277-H279 PolarHBondContact O-N 3.39Å; C277-H290 PolarHBondContact SG-CE1 3.14Å; C277-H290 PolarHBondContact SG-NE2 2.78Å; C277-H295 PolarHBondContact SG-NE2 3.38Å |
| 278 | G | 73.8 | Confident | 73.6 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | 73.9 | 4.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | C274 T280 | C274-G278 VanDerWaalsContact O-CA 3.22Å; C274-G278 WeakPolarHBondContact O-CA 3.24Å; C274-G278 PolarHBondContact O-N 3.19Å; G278-T280 PolarHBondContact O-N 2.94Å | ||
| 279 | H | 80 | Confident | 75.1 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | trans | -60.9 | 132.3 | -179.7 | -173.6 | 72.4 | 0 | 0 | 0 | 112 | V273 C274 C277 H290 | V273-H279 CarbonylContact C-O 3.58Å; V273-H279 WeakPolarHBondContact CA-O 3.38Å; C274-H279 HydrophobicContact CB-CB 4.17Å; C274-H279 PolarHBondContact N-O 2.86Å; C277-H279 PolarHBondContact O-N 3.39Å; H279-H290 VanDerWaalsContact CB-CE1 3.49Å; H279-H290 WeakPolarHBondContact CB-CE1 3.32Å; H279-H290 AromaticContact CD2-CE1 3.99Å; H279-H290 AromaticContact CD2-CG 3.77Å; H279-H290 AromaticContact CD2-ND1 3.55Å; H279-H290 AromaticContact CG-CE1 3.78Å; H279-H290 AromaticContact CG-ND1 3.75Å | ||
| 280 | T | 73.8 | Confident | 76.4 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117 | -177 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | V273 G278 | V273-T280 HydrophobicContact CG1-CG2 4.28Å; V273-T280 HydrophobicContact CG2-CG2 4.11Å; G278-T280 PolarHBondContact O-N 2.94Å |
| 281 | A | 73.5 | Confident | 77 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 3% | 0.033 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 147.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L271 Y272 T283 E286 L287 | L271-A281 CarbonylContact C-O 3.53Å; L271-A281 VanDerWaalsContact CA-O 3.26Å; L271-A281 WeakPolarHBondContact CA-O 3.22Å; Y272-A281 PolarHBondContact N-O 2.8Å; Y272-A281 PolarHBondContact O-N 3.45Å; A281-T283 VanDerWaalsContact C-N 3.34Å; A281-E286 HydrophobicContact CB-CB 3.76Å; A281-L287 HydrophobicContact CB-CB 3.96Å |
| 282 | G | 73.4 | Confident | 77.3 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -75.8 | -25.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E286 | G282-E286 WeakPolarHBondContact CA-OE2 3.36Å; G282-E286 PolarHBondContact N-OE2 3.4Å |
| 283 | T | 76.3 | Confident | 77.7 | Confident | 60 Ų | 60 | 68.6 Ų | 68.6 | 37% | 0.368 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -133.8 | 163 | -177.1 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | A281 E286 L287 | A281-T283 VanDerWaalsContact C-N 3.34Å; T283-E286 PolarHBondContact N-OE2 3.47Å; T283-E286 WeakPolarHBondContact OG1-CB 3.18Å; T283-E286 WeakPolarHBondContact OG1-CG 3.42Å; T283-E286 PolarHBondContact OG1-N 3.23Å; T283-E286 PolarHBondContact OG1-OE2 2.84Å; T283-L287 PolarHBondContact O-N 3.41Å |
| 284 | Q | 78.1 | Confident | 77.8 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -36.3 | 178 | -170.8 | 173.5 | -42 | 0 | 0 | 111.5 | Y272 E286 L287 V288 | Y272-Q284 HydrophobicContact CD1-CB 4.15Å; Y272-Q284 HydrophobicContact CD1-CG 4.33Å; Y272-Q284 HydrophobicContact CE1-CB 3.85Å; Y272-Q284 HydrophobicContact CE1-CG 4.15Å; Y272-Q284 HydrophobicContact CE2-CB 4.24Å; Y272-Q284 HydrophobicContact CG-CB 4.48Å; Q284-E286 PolarHBondContact O-N 2.87Å; Q284-L287 PolarHBondContact O-N 3.26Å; Q284-V288 HydrophobicContact CG-CG2 4.44Å; Q284-V288 WeakPolarHBondContact O-CG2 3.25Å; Q284-V288 PolarHBondContact O-N 3.25Å |
| 285 | D | 78.6 | Confident | 77.8 | Confident | 116 Ų | 116 | 71.9 Ų | 71.9 | 62% | 0.62 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | -178.8 | -54.4 | -53.1 | 0 | 0 | 0 | 112.7 | R289 | D285-R289 WeakPolarHBondContact O-CB 3.26Å; D285-R289 PolarHBondContact O-N 3.19Å |
| 286 | E | 78.8 | Confident | 77.6 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 40% | 0.397 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 170.5 | -75.5 | 161.4 | 161.7 | 0 | 0 | 111.4 | A281 G282 T283 Q284 R289 H290 | A281-E286 HydrophobicContact CB-CB 3.76Å; G282-E286 WeakPolarHBondContact CA-OE2 3.36Å; G282-E286 PolarHBondContact N-OE2 3.4Å; T283-E286 PolarHBondContact N-OE2 3.47Å; T283-E286 WeakPolarHBondContact OG1-CB 3.18Å; T283-E286 WeakPolarHBondContact OG1-CG 3.42Å; T283-E286 PolarHBondContact OG1-N 3.23Å; T283-E286 PolarHBondContact OG1-OE2 2.84Å; Q284-E286 PolarHBondContact O-N 2.87Å; E286-R289 PolarHBondContact O-N 3.34Å; E286-H290 WeakPolarHBondContact O-CB 3.21Å; E286-H290 PolarHBondContact O-N 3.14Å |
| 287 | L | 80.4 | Confident | 77.2 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 174.8 | 179.7 | 61.1 | 0 | 0 | 0 | 111.5 | C274 A281 T283 Q284 R289 H290 L291 | C274-L287 HydrophobicContact CB-CD1 3.64Å; A281-L287 HydrophobicContact CB-CB 3.96Å; T283-L287 PolarHBondContact O-N 3.41Å; Q284-L287 PolarHBondContact O-N 3.26Å; L287-R289 VanDerWaalsContact C-N 3.35Å; L287-R289 PolarHBondContact O-N 3.48Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.41Å; L287-L291 HydrophobicContact CD1-CD1 4.48Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 HydrophobicContact CG-CG 4.38Å; L287-L291 VanDerWaalsContact O-CG 3.32Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.15Å |
| 288 | V | 79.7 | Confident | 76.6 | Confident | 48 Ų | 48 | 68 Ų | 68 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 178.1 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | Q284 L291 H292 L301 | Q284-V288 HydrophobicContact CG-CG2 4.44Å; Q284-V288 WeakPolarHBondContact O-CG2 3.25Å; Q284-V288 PolarHBondContact O-N 3.25Å; V288-L291 PolarHBondContact O-N 3.03Å; V288-H292 PolarHBondContact O-N 3.05Å; V288-H292 PolarHBondContact O-ND1 3.08Å; V288-L301 HydrophobicContact CG1-CD2 4.14Å |
| 289 | R | 82.1 | Confident | 75.9 | Confident | 166 Ų | 166 | 70.4 Ų | 70.4 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 174.3 | -166.5 | -173.9 | -53.1 | 135.1 | 10.4 | 111.7 | D285 E286 L287 H292 S293 | D285-R289 WeakPolarHBondContact O-CB 3.26Å; D285-R289 PolarHBondContact O-N 3.19Å; E286-R289 PolarHBondContact O-N 3.34Å; L287-R289 VanDerWaalsContact C-N 3.35Å; L287-R289 PolarHBondContact O-N 3.48Å; R289-H292 PolarHBondContact O-N 3.2Å; R289-S293 PolarHBondContact O-N 2.76Å; R289-S293 PolarHBondContact O-OG 3.38Å |
| 290 | H | 83 | Confident | 74.9 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 9% | 0.088 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -48 | 174.1 | 162.2 | 86.7 | 0 | 0 | 0 | 111.5 | C274 C277 H279 E286 L287 S293 L294 H295 | C274-H290 PolarHBondContact SG-NE2 3.23Å; C274-H290 VanDerWaalsContact SG-NE2 3.42Å; C277-H290 PolarHBondContact SG-CE1 3.14Å; C277-H290 PolarHBondContact SG-NE2 2.78Å; H279-H290 VanDerWaalsContact CB-CE1 3.49Å; H279-H290 WeakPolarHBondContact CB-CE1 3.32Å; H279-H290 AromaticContact CD2-CE1 3.99Å; H279-H290 AromaticContact CD2-CG 3.77Å; H279-H290 AromaticContact CD2-ND1 3.55Å; H279-H290 AromaticContact CG-CE1 3.78Å; H279-H290 AromaticContact CG-ND1 3.75Å; E286-H290 WeakPolarHBondContact O-CB 3.21Å; E286-H290 PolarHBondContact O-N 3.14Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.41Å; H290-S293 WeakPolarHBondContact CA-OG 3.32Å; H290-S293 PolarHBondContact O-N 2.82Å; H290-S293 VanDerWaalsContact O-N 3.13Å; H290-S293 PolarHBondContact O-OG 3.03Å; H290-L294 PolarHBondContact O-N 2.76Å; H290-H295 AromaticContact NE2-CD2 3.59Å; H290-H295 AromaticContact NE2-NE2 3.74Å |
| 291 | L | 79.1 | Confident | 74.2 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 176 | -70.4 | 172 | 0 | 0 | 0 | 111.3 | L287 V288 S293 L294 H295 L300 L301 | L287-L291 HydrophobicContact CD1-CD1 4.48Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 HydrophobicContact CG-CG 4.38Å; L287-L291 VanDerWaalsContact O-CG 3.32Å; L287-L291 WeakPolarHBondContact O-CG 3.42Å; L287-L291 PolarHBondContact O-N 3.15Å; V288-L291 PolarHBondContact O-N 3.03Å; L291-S293 PolarHBondContact O-N 3.33Å; L291-L294 PolarHBondContact O-N 3.27Å; L291-H295 HydrophobicContact CD2-CB 3.89Å; L291-H295 CarbonylContact O-C 2.95Å; L291-H295 VanDerWaalsContact O-CA 3.24Å; L291-H295 WeakPolarHBondContact O-CA 3.42Å; L291-H295 PolarHBondContact O-N 3.43Å; L291-H295 VanDerWaalsContact O-O 3.1Å; L291-L300 HydrophobicContact CD1-CB 4.05Å; L291-L300 HydrophobicContact CD1-CD1 4.28Å; L291-L301 HydrophobicContact CB-CD1 4.22Å; L291-L301 HydrophobicContact CB-CD2 4.09Å; L291-L301 HydrophobicContact CB-CG 4.25Å; L291-L301 HydrophobicContact CD1-CD2 4.42Å |
| 292 | H | 80.3 | Confident | 73.2 | Confident | 119 Ų | 119 | 76.1 Ų | 76.1 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.2 | -31.8 | 175.1 | -73 | 138.4 | 0 | 0 | 0 | 114 | V288 R289 | V288-H292 PolarHBondContact O-N 3.05Å; V288-H292 PolarHBondContact O-ND1 3.08Å; R289-H292 PolarHBondContact O-N 3.2Å |
| 293 | S | 81.7 | Confident | 71.8 | Confident | 82 Ų | 82 | 76.6 Ų | 76.6 | 57% | 0.573 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -83.8 | -27.7 | -178.5 | 58.6 | 0 | 0 | 0 | 0 | 115.7 | R289 H290 L291 | R289-S293 PolarHBondContact O-N 2.76Å; R289-S293 PolarHBondContact O-OG 3.38Å; H290-S293 WeakPolarHBondContact CA-OG 3.32Å; H290-S293 PolarHBondContact O-N 2.82Å; H290-S293 VanDerWaalsContact O-N 3.13Å; H290-S293 PolarHBondContact O-OG 3.03Å; L291-S293 PolarHBondContact O-N 3.33Å |
| 294 | L | 76.9 | Confident | 70 | Confident | 114 Ų | 114 | 83.4 Ų | 83.4 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -130.5 | -17.5 | -169.7 | -66.5 | 174 | 0 | 0 | 0 | 114 | H290 L291 | H290-L294 PolarHBondContact O-N 2.76Å; L291-L294 PolarHBondContact O-N 3.27Å |
| 295 | H | 80 | Confident | 68 | Low | 31 Ų | 31 | 82.4 Ų | 82.4 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | trans | -139.6 | 56.6 | -175.4 | -56.5 | -84.5 | 0 | 0 | 0 | 110.8 | E276 C277 H290 L291 D297 S298 | E276-H295 WeakPolarHBondContact CB-ND1 3.19Å; E276-H295 IonicContact OE2-CE1 2.64Å; E276-H295 IonicContact OE2-CG 2.74Å; E276-H295 IonicContact OE2-ND1 3.73Å; E276-H295 PolarHBondContact OE2-ND1 3.15Å; C277-H295 PolarHBondContact SG-NE2 3.38Å; H290-H295 AromaticContact NE2-CD2 3.59Å; H290-H295 AromaticContact NE2-NE2 3.74Å; L291-H295 HydrophobicContact CD2-CB 3.89Å; L291-H295 CarbonylContact O-C 2.95Å; L291-H295 VanDerWaalsContact O-CA 3.24Å; L291-H295 WeakPolarHBondContact O-CA 3.42Å; L291-H295 PolarHBondContact O-N 3.43Å; L291-H295 VanDerWaalsContact O-O 3.1Å; H295-D297 PolarHBondContact O-N 3.13Å; H295-D297 VanDerWaalsContact O-N 3.14Å; H295-S298 WeakPolarHBondContact O-CB 3.44Å; H295-S298 PolarHBondContact O-N 3.04Å | ||
| 296 | P | 69.1 | Low | 66.4 | Low | 83 Ų | 83 | 82.6 Ų | 82.6 | 54% | 0.539 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.1 | -170.5 | 26 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 297 | D | 65.6 | Low | 64.4 | Low | 132 Ų | 132 | 87.4 Ų | 87.4 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.6 | 177.6 | -67.6 | -61.6 | 0 | 0 | 0 | 114.2 | H295 | H295-D297 PolarHBondContact O-N 3.13Å; H295-D297 VanDerWaalsContact O-N 3.14Å |
| 298 | S | 64.2 | Low | 62.3 | Low | 4 Ų | 4 | 95.1 Ų | 95.1 | 3% | 0.028 | 49% | 0.488 | C | S | . | . | trans | -59.3 | 131.3 | -173.3 | -167.9 | 0 | 0 | 0 | 0 | 112.7 | E276 H295 L300 L301 | E276-S298 WeakPolarHBondContact OE1-CA 3.26Å; E276-S298 WeakPolarHBondContact OE1-CB 3.49Å; E276-S298 PolarHBondContact OE1-OG 2.92Å; H295-S298 WeakPolarHBondContact O-CB 3.44Å; H295-S298 PolarHBondContact O-N 3.04Å; S298-L300 PolarHBondContact O-N 2.95Å; S298-L300 VanDerWaalsContact O-N 3.07Å; S298-L301 WeakPolarHBondContact O-CB 3.42Å; S298-L301 PolarHBondContact O-N 3.45Å | ||
| 299 | P | 60.1 | Low | 60.4 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -63.1 | -21.5 | -174.7 | 23.7 | -33.9 | 0 | 0 | 0 | 113.8 | L301 K302 | P299-L301 PolarHBondContact O-N 3.47Å; P299-K302 PolarHBondContact O-N 3.14Å; P299-K302 VanDerWaalsContact O-N 3.12Å |
| 300 | L | 58.3 | Low | 58.4 | Low | 74 Ų | 74 | 94.3 Ų | 94.3 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -63.9 | -20.8 | 175.9 | -66.8 | 178.5 | 0 | 0 | 0 | 113.6 | L291 S298 | L291-L300 HydrophobicContact CD1-CB 4.05Å; L291-L300 HydrophobicContact CD1-CD1 4.28Å; S298-L300 PolarHBondContact O-N 2.95Å; S298-L300 VanDerWaalsContact O-N 3.07Å |
| 301 | L | 58.8 | Low | 56 | Low | 50 Ų | 50 | 96.7 Ų | 96.7 | 26% | 0.262 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -79.8 | -21.8 | 175.8 | -64.1 | 173.4 | 0 | 0 | 0 | 112.9 | V288 L291 S298 P299 | V288-L301 HydrophobicContact CG1-CD2 4.14Å; L291-L301 HydrophobicContact CB-CD1 4.22Å; L291-L301 HydrophobicContact CB-CD2 4.09Å; L291-L301 HydrophobicContact CB-CG 4.25Å; L291-L301 HydrophobicContact CD1-CD2 4.42Å; S298-L301 WeakPolarHBondContact O-CB 3.42Å; S298-L301 PolarHBondContact O-N 3.45Å; P299-L301 PolarHBondContact O-N 3.47Å |
| 302 | K | 52.1 | Low | 54.4 | Low | 173 Ų | 173 | 105.6 Ų | 105.6 | 75% | 0.752 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -3.9 | -173.5 | -80.7 | 166.4 | 179.8 | 158.9 | 0 | 115.1 | P299 | P299-K302 PolarHBondContact O-N 3.14Å; P299-K302 VanDerWaalsContact O-N 3.12Å |
| 303 | G | 45.2 | Very low | 52.1 | Low | 48 Ų | 48 | 103.3 Ų | 103.3 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | S | Bend | trans | 172.7 | 133.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 304 | K | 37.7 | Very low | 50 | Low | 204 Ų | 204 | 105.8 Ų | 105.8 | 89% | 0.887 | 61% | 0.614 | S | S | * | * | trans | 49.9 | 81.4 | 158.8 | -67.3 | 171.3 | -179.8 | 169.2 | 0 | 116.2 | T306 | K304-T306 PolarHBondContact O-N 3.21Å; K304-T306 VanDerWaalsContact O-N 3.12Å | ||
| 305 | A | 37.5 | Very low | 48.2 | Very low | 67 Ų | 67 | 106.8 Ų | 106.8 | 55% | 0.554 | 63% | 0.628 | S | S | * | * | trans | -55.1 | 112.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 306 | T | 44.9 | Very low | 45.9 | Very low | 121 Ų | 121 | 109.8 Ų | 109.8 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | -85.8 | 122.1 | 176.4 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | K304 R308 | K304-T306 PolarHBondContact O-N 3.21Å; K304-T306 VanDerWaalsContact O-N 3.12Å; T306-R308 PolarHBondContact O-N 3.1Å | ||
| 307 | R | 35.6 | Very low | 44.6 | Very low | 185 Ų | 185 | 111.9 Ų | 111.9 | 70% | 0.698 | 67% | 0.674 | S | S | * | * | trans | -77.3 | 81.4 | -177.1 | -173.6 | -179.3 | -175.4 | -93.4 | 5 | 111.3 | K270 V309 | K270-R307 VanDerWaalsContact NZ-CG 3.31Å; R307-V309 PolarHBondContact O-N 3.36Å | ||
| 308 | R | 36.8 | Very low | 43 | Very low | 177 Ų | 177 | 109.2 Ų | 109.2 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 124.8 | 171.3 | -73.8 | -165.9 | -163.3 | -108.1 | 7 | 110.6 | K270 E275 T306 | K270-R308 WeakPolarHBondContact CE-O 3.33Å; K270-R308 PolarHBondContact NZ-O 3.08Å; E275-R308 IonicContact OE1-CZ 3.41Å; E275-R308 IonicContact OE1-NE 3.05Å; E275-R308 PolarHBondContact OE1-NE 3.35Å; E275-R308 IonicContact OE1-NH2 2.9Å; E275-R308 PolarHBondContact OE1-NH2 3.35Å; E275-R308 IonicContact OE2-NH2 3.94Å; T306-R308 PolarHBondContact O-N 3.1Å |
| 309 | V | 40 | Very low | 41.6 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 131.2 | 164.5 | -179.6 | 0 | 0 | 0 | 0 | 106.1 | R307 G311 | R307-V309 PolarHBondContact O-N 3.36Å; V309-G311 PolarHBondContact O-N 3.17Å |
| 310 | G | 40.7 | Very low | 40.4 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 311 | G | 32.5 | Very low | 39.1 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -134 | 131.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.1 | V309 G313 | V309-G311 PolarHBondContact O-N 3.17Å; G311-G313 PolarHBondContact O-N 3.37Å | ||
| 312 | L | 44.4 | Very low | 37.8 | Very low | 191 Ų | 191 | 119.5 Ų | 119.5 | 100% | 1 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 128.8 | 177.5 | -82.7 | 71.1 | 0 | 0 | 0 | 109.5 | ||||
| 313 | G | 32.9 | Very low | 36.8 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -135.4 | 112 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G311 | G311-G313 PolarHBondContact O-N 3.37Š| ||
| 314 | T | 37.3 | Very low | 36.3 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 134.5 | 174.3 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | A316 | T314-A316 PolarHBondContact O-N 3.44Š| ||
| 315 | P | 39.7 | Very low | 36.4 | Very low | 135 Ų | 135 | 115.3 Ų | 115.3 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -73.7 | 119.4 | 165.8 | 30.2 | -30.9 | 0 | 0 | 0 | 109.3 | ||||
| 316 | A | 30.4 | Very low | 36.1 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -104.4 | 132.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | T314 | T314-A316 PolarHBondContact O-N 3.44Š| ||
| 317 | S | 41.2 | Very low | 35.7 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -65.7 | 145.2 | -179.3 | -50 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 318 | G | 32.7 | Very low | 36.2 | Very low | 76 Ų | 76 | 113.7 Ų | 113.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -159.6 | 99.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 319 | S | 35.4 | Very low | 36 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -79.9 | 179.7 | 178.3 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 320 | I | 34.7 | Very low | 35.6 | Very low | 178 Ų | 178 | 117.2 Ų | 117.2 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | 88.2 | 135.6 | 178.8 | 93.6 | -179.1 | 0 | 0 | 0 | 114.9 | ||||
| 321 | G | 30.1 | Very low | 35.1 | Very low | 75 Ų | 75 | 117.5 Ų | 117.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -164.4 | 153.3 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 322 | G | 32.4 | Very low | 35 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -83.7 | 149.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 323 | S | 30.6 | Very low | 34.5 | Very low | 125 Ų | 125 | 116 Ų | 116 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -170.5 | 115.8 | 147.2 | -91.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 324 | A | 33.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -78.3 | 160.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 325 | P | 41.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -145.4 | 153.5 | 92.1 | 35.8 | -19.3 | 0 | 0 | 0 | 116.1 | |||||
| 326 | S | 31.1 | Very low | 35 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 34 | 119.7 | 135.3 | -46.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 327 | S | 34.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 161.8 | 147.1 | -34.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 328 | P | 46.3 | Very low | 35 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | -154.4 | 160.6 | 76 | 44.1 | -25.4 | 0 | 0 | 0 | 117.9 | |||||
| 329 | R | 32.5 | Very low | 35.3 | Very low | 214 Ų | 214 | 120.3 Ų | 120.3 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | 86.3 | 134.8 | 127.8 | -96.8 | -169.6 | 165.5 | -157.8 | -10.1 | 125.2 | |||||
| 330 | E | 31.7 | Very low | 35.5 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 140.3 | 153.2 | -48.1 | -56.2 | 88.4 | 0 | 0 | 123.3 | ||||
| 331 | A | 31.6 | Very low | 35.7 | Very low | 91 Ų | 91 | 114.8 Ų | 114.8 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | 68.5 | 144.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 332 | D | 29.7 | Very low | 36.5 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | cis | -162.9 | 177.6 | -16.6 | -145.9 | -74.6 | 0 | 0 | 0 | 110 | ||||
| 333 | S | 33.7 | Very low | 36.7 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | trans | 56.8 | 125.8 | 147.4 | 62.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 334 | D | 34.3 | Very low | 37 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 153.7 | 144.8 | -62.8 | -57.5 | 0 | 0 | 0 | 119.7 | ||||
| 335 | D | 44.1 | Very low | 37.2 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -143.3 | -178.2 | 15.9 | -146.7 | -42.9 | 0 | 0 | 0 | 112.5 | ||||
| 336 | T | 41.3 | Very low | 36.9 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | trans | -110.6 | 166.1 | -166.9 | 59.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 337 | N | 37.6 | Very low | 37.3 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 83.3 | 153.8 | 145.8 | -156.1 | 10.1 | 0 | 0 | 0 | 120.4 | ||||
| 338 | G | 33.9 | Very low | 37.4 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | 102.8 | 82.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 339 | S | 40.7 | Very low | 36.8 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | 71.5 | 136.7 | 58.4 | -66.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 340 | A | 39.4 | Very low | 37.1 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | 69.7 | 141.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 341 | G | 39 | Very low | 37.6 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | cis | 139.3 | 107.7 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 342 | Q | 45.4 | Very low | 38.1 | Very low | 276 Ų | 276 | 127.5 Ų | 127.5 | 100% | 1.29 | 79% | 0.789 | S | S | * | * | trans | -174.3 | 0 | 144.3 | -107.9 | 162.6 | 90.6 | 0 | 0 | 109.7 |
Retrieved 342 of 342 residues in 135.4 ms
(Link to these results)