| 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 | 29.9 | Very low | 35.1 | Very low | 241 Ų | 241 | 169.5 Ų | 169.5 | 100% | 1.187 | 82% | 0.817 | S | S | * | * | 0 | 133.1 | 0 | -78.3 | -68.5 | 173 | 0 | 0 | 108.9 | |||||
| 2 | P | 44.6 | Very low | 35.1 | Very low | 99 Ų | 99 | 169.5 Ų | 169.5 | 64% | 0.643 | 82% | 0.823 | S | S | * | * | trans | -102.7 | 175.8 | -159.8 | 39.9 | -33.3 | 0 | 0 | 0 | 113.4 | ||||
| 3 | K | 38.7 | Very low | 34.7 | Very low | 188 Ų | 188 | 162.6 Ų | 162.6 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | trans | -178.3 | 89.7 | 144.4 | -95.5 | 154.1 | -171.8 | -178.6 | 0 | 109.5 | ||||
| 4 | V | 32.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | 26 | 120.6 | 101.1 | -123.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 5 | F | 33.9 | Very low | 33.9 | Very low | 200 Ų | 200 | 157.6 Ų | 157.6 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -127.4 | 141.5 | 151.7 | -89.7 | -82.7 | 0 | 0 | 0 | 111.2 | ||||
| 6 | L | 32.9 | Very low | 33.6 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -67.4 | 140.2 | -161.6 | -108.9 | 74.5 | 0 | 0 | 0 | 114 | ||||
| 7 | V | 32.9 | Very low | 33.3 | Very low | 119 Ų | 119 | 160.4 Ų | 160.4 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | trans | -64 | 133.6 | 147.2 | 171.7 | 0 | 0 | 0 | 0 | 109 | R9 | V7-R9 HydrophobicContact CG1-CB 4.44Å; V7-R9 HydrophobicContact CG1-CG 4.01Å | ||
| 8 | K | 33.3 | Very low | 32.8 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -119.4 | 92.2 | 157.5 | -156.5 | 160.6 | -172.9 | 171.7 | 0 | 109.2 | ||||
| 9 | R | 35.8 | Very low | 32.5 | Very low | 214 Ų | 214 | 161.2 Ų | 161.2 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -74.6 | 132.7 | 159.6 | -85.1 | -179.8 | 171.3 | -176.3 | -2.9 | 108.1 | V7 | V7-R9 HydrophobicContact CG1-CB 4.44Å; V7-R9 HydrophobicContact CG1-CG 4.01Å | ||
| 10 | R | 35.2 | Very low | 32.4 | Very low | 243 Ų | 243 | 160.3 Ų | 160.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -130.3 | 99.3 | 147 | -111.6 | 179.5 | 177.2 | -175.2 | -2.5 | 108 | ||||
| 11 | S | 36.3 | Very low | 32.5 | Very low | 86 Ų | 86 | 161.4 Ų | 161.4 | 60% | 0.601 | 82% | 0.82 | S | S | * | * | trans | -67.1 | 155.1 | 148.4 | -48.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 12 | L | 35.9 | Very low | 32.6 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | cis | -164.4 | 155.6 | 48.5 | -73.9 | 162.6 | 0 | 0 | 0 | 109.1 | ||||
| 13 | G | 29.9 | Very low | 32.2 | Very low | 80 Ų | 80 | 159.3 Ų | 159.3 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 174.6 | 63 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | V | 31.7 | Very low | 32.1 | Very low | 127 Ų | 127 | 157.3 Ų | 157.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -77.5 | 133.8 | 170 | 173.6 | 0 | 0 | 0 | 0 | 108.3 | V16 | V14-V16 HydrophobicContact CG1-CG2 3.79Š| ||
| 15 | S | 25.1 | Very low | 32.1 | Very low | 123 Ų | 123 | 158 Ų | 158 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -140.6 | 129.8 | 151.9 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | V | 29.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 156 Ų | 156 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -114.9 | 136.1 | -178.2 | -172.8 | 0 | 0 | 0 | 0 | 107.7 | V14 | V14-V16 HydrophobicContact CG1-CG2 3.79Š| ||
| 17 | R | 28.9 | Very low | 32.2 | Very low | 246 Ų | 246 | 159 Ų | 159 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | 154.7 | 144.7 | 156.6 | -88 | 164.3 | -172.2 | -153 | 3.2 | 106 | ||||
| 18 | S | 24.6 | Very low | 32 | Very low | 111 Ų | 111 | 157.8 Ų | 157.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | cis | -159.9 | 161.5 | 9.9 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 19 | W | 26.3 | Very low | 32 | Very low | 225 Ų | 225 | 153.6 Ų | 153.6 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | trans | -66.4 | 160 | 171.9 | -76.9 | 41.9 | 0 | 0 | 0 | 112.5 | ||||
| 20 | D | 30.3 | Very low | 31.8 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 85.6 | 103.6 | 169 | -54.6 | -59.1 | 0 | 0 | 0 | 117.6 | ||||
| 21 | E | 34.2 | Very low | 31.4 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | 171.2 | 107.8 | 113.4 | -87.8 | -166.5 | 123.4 | 0 | 0 | 110.9 | |||||
| 22 | L | 32.4 | Very low | 31.3 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | 156.3 | 147.1 | 139.7 | -81.2 | 156.9 | 0 | 0 | 0 | 112.2 | ||||
| 23 | P | 37.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -104.7 | 165.7 | -134.1 | 7.1 | 15.4 | 0 | 0 | 0 | 116 | ||||
| 24 | D | 35.3 | Very low | 31.6 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -88.6 | 137.5 | -176.1 | -153.7 | -32.7 | 0 | 0 | 0 | 112.1 | ||||
| 25 | E | 33.5 | Very low | 31.4 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | 166.4 | 125.1 | 113.8 | -88.4 | -163.2 | 143.4 | 0 | 0 | 115.9 | |||||
| 26 | K | 34.9 | Very low | 31.8 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | 89.2 | 72.6 | 137.7 | -66.8 | 168.3 | -178.2 | 152.4 | 0 | 120.7 | A28 | K26-A28 PolarHBondContact O-N 3.34Š| ||
| 27 | R | 32.6 | Very low | 31.7 | Very low | 217 Ų | 217 | 148.5 Ų | 148.5 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | -34.9 | 112.6 | 143.9 | -169.8 | 173.9 | -173.5 | 156 | 5.1 | 115.1 | D29 | R27-D29 IonicContact CZ-OD2 2.73Å; R27-D29 IonicContact NE-OD2 3.85Å; R27-D29 PolarHBondContact NE-OD2 3.27Å; R27-D29 IonicContact NH2-OD2 2.9Å; R27-D29 PolarHBondContact NH2-OD2 2.83Å; R27-D29 VanDerWaalsContact NH2-OD2 3.12Å | ||
| 28 | A | 30.4 | Very low | 31.6 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -106.7 | 99.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K26 | K26-A28 PolarHBondContact O-N 3.34Š| ||
| 29 | D | 32 | Very low | 31.9 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 58% | 0.578 | 79% | 0.785 | S | S | * | * | trans | -99 | 95 | 174.6 | -73.7 | -16.1 | 0 | 0 | 0 | 109.6 | R27 | R27-D29 IonicContact CZ-OD2 2.73Å; R27-D29 IonicContact NE-OD2 3.85Å; R27-D29 PolarHBondContact NE-OD2 3.27Å; R27-D29 IonicContact NH2-OD2 2.9Å; R27-D29 PolarHBondContact NH2-OD2 2.83Å; R27-D29 VanDerWaalsContact NH2-OD2 3.12Å | ||
| 30 | T | 32.4 | Very low | 32 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 42.6 | 101.7 | 134.1 | 34.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 31 | Y | 26.8 | Very low | 31.9 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -64.4 | 134.4 | 152.1 | -177.5 | -98.5 | 0 | 0 | 0 | 111.5 | P33 | Y31-P33 HydrophobicContact CE1-CB 3.77Å; Y31-P33 HydrophobicContact CE1-CG 4.49Å | ||
| 32 | I | 32.7 | Very low | 31.6 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | trans | -134.1 | 135 | 156.7 | -63.9 | -172.7 | 0 | 0 | 0 | 108.3 | ||||
| 33 | P | 37.3 | Very low | 31.5 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 53% | 0.532 | 76% | 0.755 | S | S | . | * | trans | -96 | 156.2 | -157.1 | 36.7 | -31.1 | 0 | 0 | 0 | 113.6 | Y31 | Y31-P33 HydrophobicContact CE1-CB 3.77Å; Y31-P33 HydrophobicContact CE1-CG 4.49Å | ||
| 34 | V | 34.8 | Very low | 31.4 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -133.8 | 112.1 | 162.5 | -114.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 35 | G | 28.1 | Very low | 31.6 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 59.7 | 96.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | G37 | G35-G37 PolarHBondContact O-N 3.41Å; G35-G37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | L | 32.9 | Very low | 31.7 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 100% | 1.021 | 75% | 0.75 | S | S | * | * | trans | -51.4 | 109.8 | 156.5 | -88.7 | 146 | 0 | 0 | 0 | 111 | ||||
| 37 | G | 27.7 | Very low | 32.1 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -144.5 | 87 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G35 | G35-G37 PolarHBondContact O-N 3.41Å; G35-G37 VanDerWaalsContact O-N 3.14Å | ||
| 38 | R | 26.9 | Very low | 32.4 | Very low | 224 Ų | 224 | 133.4 Ų | 133.4 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | 29.7 | 96 | 161 | -142.3 | 167 | -161.1 | -127.2 | 2.7 | 116.4 | L40 | R38-L40 VanDerWaalsContact C-N 3.27Å; R38-L40 PolarHBondContact O-N 3.04Å | ||
| 39 | L | 30.8 | Very low | 32.8 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -59.1 | 89.6 | 159 | -80.4 | 150.7 | 0 | 0 | 0 | 109.2 | H41 | L39-H41 PolarHBondContact O-N 2.86Š| ||
| 40 | L | 28.7 | Very low | 32.9 | Very low | 125 Ų | 125 | 133 Ų | 133 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | trans | -72.4 | 107.8 | 152.5 | -135.7 | 72.7 | 0 | 0 | 0 | 104.6 | R38 D42 | R38-L40 VanDerWaalsContact C-N 3.27Å; R38-L40 PolarHBondContact O-N 3.04Å; L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 3.05Å | ||
| 41 | H | 28 | Very low | 33.3 | Very low | 173 Ų | 173 | 131 Ų | 131 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | trans | -55 | 102.4 | 158.7 | -102.7 | -144.7 | 0 | 0 | 0 | 106.3 | L39 | L39-H41 PolarHBondContact O-N 2.86Š| ||
| 42 | D | 28.4 | Very low | 33.4 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | trans | -57.4 | 126.6 | 161.2 | -81.9 | -62.6 | 0 | 0 | 0 | 106.7 | L40 | L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 3.05Å | ||
| 43 | P | 29.3 | Very low | 33.4 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | trans | -56.9 | 151.2 | 175.8 | 24 | -31.1 | 0 | 0 | 0 | 109.1 | E45 | P43-E45 PolarHBondContact O-N 3.43Š| ||
| 44 | P | 35.9 | Very low | 33.2 | Very low | 104 Ų | 104 | 122 Ų | 122 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | -57.1 | 107.7 | 179.9 | 23.9 | -32 | 0 | 0 | 0 | 108.5 | D46 | P44-D46 PolarHBondContact O-N 3.28Š| ||
| 45 | E | 39.8 | Very low | 33 | Very low | 147 Ų | 147 | 120 Ų | 120 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | trans | -48.2 | 113.5 | 174.1 | -67.8 | -94.6 | 114.8 | 0 | 0 | 107.4 | P43 C47 | P43-E45 PolarHBondContact O-N 3.43Å; E45-C47 PolarHBondContact O-N 3.38Å | ||
| 46 | D | 34.9 | Very low | 33.2 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | -42.9 | 129.3 | 169.9 | -89.9 | -49 | 0 | 0 | 0 | 107.5 | P44 R48 | P44-D46 PolarHBondContact O-N 3.28Å; D46-R48 PolarHBondContact O-N 2.98Å | ||
| 47 | C | 43.9 | Very low | 33.1 | Very low | 36 Ų | 36 | 116.6 Ų | 116.6 | 24% | 0.243 | 70% | 0.696 | C | S | . | * | trans | -67.3 | 59.9 | -176.1 | -71.2 | 0 | 0 | 0 | 0 | 110.7 | E45 S49 K126 | E45-C47 PolarHBondContact O-N 3.38Å; C47-S49 VanDerWaalsContact C-N 3.32Å; C47-S49 PolarHBondContact O-N 3.44Å; C47-K126 PolarHBondContact O-NZ 3.33Å | ||
| 48 | R | 38.3 | Very low | 33 | Very low | 207 Ų | 207 | 117.1 Ų | 117.1 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | trans | -69.4 | 94.5 | 171.7 | -79 | -174.6 | 169.1 | -179.6 | -1.7 | 106.9 | D46 D50 | D46-R48 PolarHBondContact O-N 2.98Å; R48-D50 PolarHBondContact O-N 3.22Å | ||
| 49 | S | 39.3 | Very low | 33.2 | Very low | 65 Ų | 65 | 112 Ų | 112 | 46% | 0.455 | 70% | 0.701 | S | S | . | * | trans | -60 | 94.2 | 153.6 | -45.3 | 0 | 0 | 0 | 0 | 105.8 | C47 G51 K126 | C47-S49 VanDerWaalsContact C-N 3.32Å; C47-S49 PolarHBondContact O-N 3.44Å; S49-G51 PolarHBondContact O-N 3.27Å; S49-K126 PolarHBondContact OG-NZ 3.4Å | ||
| 50 | D | 34.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 110 Ų | 110 | 69% | 0.69 | 70% | 0.7 | S | S | * | * | trans | -67.6 | 71.3 | 161.4 | -78.5 | -46.1 | 0 | 0 | 0 | 108.3 | R48 G52 | R48-D50 PolarHBondContact O-N 3.22Å; D50-G52 PolarHBondContact O-N 3.49Å | ||
| 51 | G | 39.3 | Very low | 33.2 | Very low | 85 Ų | 85 | 109.8 Ų | 109.8 | 88% | 0.876 | 71% | 0.709 | S | S | * | * | trans | -82.9 | 65.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | S49 | S49-G51 PolarHBondContact O-N 3.27Š| ||
| 52 | G | 29.7 | Very low | 33.3 | Very low | 37 Ų | 37 | 106.9 Ų | 106.9 | 38% | 0.381 | 72% | 0.715 | S | S | . | * | S | Bend | trans | -179 | 93.5 | -174 | 0 | 0 | 0 | 0 | 0 | 108.6 | D50 S54 | D50-G52 PolarHBondContact O-N 3.49Å; G52-S54 PolarHBondContact O-N 3.47Å |
| 53 | S | 32 | Very low | 33.3 | Very low | 97 Ų | 97 | 104.6 Ų | 104.6 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | trans | -65.5 | 99.6 | 174 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 54 | S | 34.5 | Very low | 33.2 | Very low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -126.2 | 92 | 166.9 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | G52 | G52-S54 PolarHBondContact O-N 3.47Š| ||
| 55 | S | 30 | Very low | 33.6 | Very low | 108 Ų | 108 | 109.5 Ų | 109.5 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | -145.4 | 101.9 | 156.9 | 61.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 56 | G | 32.7 | Very low | 32.9 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | trans | -58.5 | 135.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 57 | S | 30 | Very low | 32.6 | Very low | 111 Ų | 111 | 103.2 Ų | 103.2 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -119.6 | 109.9 | 162.2 | 50.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 58 | G | 26.8 | Very low | 31.8 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 59 | S | 30.6 | Very low | 31.2 | Very low | 118 Ų | 118 | 104.7 Ų | 104.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 121.3 | 162 | 44.2 | 0 | 0 | 0 | 0 | 107.8 | ||
| 60 | S | 28.7 | Very low | 30.6 | Very low | 122 Ų | 122 | 106.6 Ų | 106.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130 | 170 | -48.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 61 | S | 29.6 | Very low | 30.2 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -152.3 | 131.4 | 154.9 | -64.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 62 | A | 30 | Very low | 29.8 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | trans | -85.6 | 153.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 63 | G | 28.6 | Very low | 29.9 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 154.9 | 107.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 64 | E | 27.7 | Very low | 30.3 | Very low | 187 Ų | 187 | 111 Ų | 111 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -105.4 | 177 | 165.9 | -81.5 | -136.5 | 114.9 | 0 | 0 | 109.9 | ||||
| 65 | P | 43.7 | Very low | 30 | Very low | 115 Ų | 115 | 114.2 Ų | 114.2 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | -134.1 | 177.8 | -53.1 | 38.2 | -21.4 | 0 | 0 | 0 | 112.3 | |||||
| 66 | G | 26.8 | Very low | 30.1 | Very low | 80 Ų | 80 | 112.8 Ų | 112.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 164.1 | 127.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 67 | G | 27.2 | Very low | 30.1 | Very low | 76 Ų | 76 | 114.9 Ų | 114.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 86.7 | 94.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 68 | A | 26.8 | Very low | 30 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | 66.3 | 109.6 | 81.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 69 | E | 25.9 | Very low | 30.1 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | 166.4 | 136.8 | 114 | 65.3 | -170.4 | 94 | 0 | 0 | 113.7 | |||||
| 70 | S | 26.7 | Very low | 30 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 27.6 | 146.3 | 147.3 | -2.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 71 | S | 27.6 | Very low | 30 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -177.1 | 168.8 | 15.5 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 72 | S | 30.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 97.6 | 100 | 149.7 | -44.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 73 | S | 32.3 | Very low | 30.5 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -69.7 | 160.2 | 150.1 | -147 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | P | 38.9 | Very low | 30.8 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -151.5 | 157.8 | 87 | 38 | -19.1 | 0 | 0 | 0 | 117.4 | |||||
| 75 | H | 28.7 | Very low | 31.1 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 62.9 | 119.2 | 144 | -96.8 | -85.5 | 0 | 0 | 0 | 122.9 | ||||
| 76 | A | 31.9 | Very low | 30.3 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | trans | -70.8 | 163.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | P | 33.8 | Very low | 30.5 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | -124.2 | 148.5 | 125.8 | 34.7 | -30.3 | 0 | 0 | 0 | 114.2 | |||||
| 78 | E | 28.3 | Very low | 30.6 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -82.2 | 177.8 | -175.2 | -60.3 | -173.1 | 107.1 | 0 | 0 | 115.4 | ||||
| 79 | R | 28.4 | Very low | 30.9 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 94.3 | 134.1 | 169.4 | -74.5 | -165.5 | 155.1 | -135.7 | -3.7 | 116 | ||||
| 80 | E | 27.9 | Very low | 31.7 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | cis | -172.4 | 141.3 | 2.1 | -121.3 | 168.9 | 172 | 0 | 0 | 109.1 | ||||
| 81 | T | 28.6 | Very low | 32 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -161.6 | 160.6 | 155.7 | 53.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 82 | P | 37.9 | Very low | 32.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -129.1 | 168.2 | -41.9 | 35.6 | -19.4 | 0 | 0 | 0 | 111.3 | ||||
| 83 | E | 31.9 | Very low | 32.4 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -105.6 | 143.1 | 166.7 | -75.7 | -77.4 | 132.7 | 0 | 0 | 110.5 | ||||
| 84 | P | 36.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -91.7 | 145.3 | 179.3 | 36 | -30.1 | 0 | 0 | 0 | 111.7 | ||||
| 85 | G | 32.3 | Very low | 31.9 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -133.1 | 120.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 86 | D | 28 | Very low | 32.4 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -62.8 | 162.6 | -180 | -63.8 | -77.1 | 0 | 0 | 0 | 114.4 | ||||
| 87 | A | 31.2 | Very low | 32.6 | Very low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | 125.1 | 110.3 | 132 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 88 | E | 29.7 | Very low | 32.6 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | 90.2 | 119.9 | 133.4 | -52.8 | -90.9 | 101.5 | 0 | 0 | 119 | ||||
| 89 | G | 31.8 | Very low | 32.7 | Very low | 68 Ų | 68 | 142.5 Ų | 142.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -71.3 | -176.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 90 | P | 43.1 | Very low | 33 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -147.7 | 173.3 | 75.3 | 36.7 | -17.3 | 0 | 0 | 0 | 116.4 | |||||
| 91 | D | 33.2 | Very low | 33.5 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -35.8 | 141.9 | 171.6 | -66.5 | -89 | 0 | 0 | 0 | 117.8 | ||||
| 92 | G | 30.5 | Very low | 33.8 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -162.4 | 79.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L94 | G92-L94 PolarHBondContact O-N 3.18Š| ||
| 93 | H | 35.8 | Very low | 34.2 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -60.9 | 116.6 | 165.4 | -114.1 | 72.9 | 0 | 0 | 0 | 109.8 | ||||
| 94 | L | 30.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -151.3 | 103.8 | 161.5 | -98.4 | 129.3 | 0 | 0 | 0 | 112.2 | G92 | G92-L94 PolarHBondContact O-N 3.18Š| ||
| 95 | A | 30.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | 20 | 107.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | K97 | A95-K97 PolarHBondContact O-N 3.1Š| ||
| 96 | A | 39.2 | Very low | 35.2 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 91 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 97 | K | 35.1 | Very low | 35.7 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -82.1 | 111.7 | 162.5 | -74.6 | -174.4 | 177.6 | -174.7 | 0 | 108.6 | A95 R99 | A95-K97 PolarHBondContact O-N 3.1Å; K97-R99 PolarHBondContact O-N 2.95Å; K97-R99 VanDerWaalsContact O-N 3.07Å | ||
| 98 | Q | 33.2 | Very low | 36 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -52.8 | 113.6 | 164 | -66.1 | 176.2 | 21.5 | 0 | 0 | 108.4 | ||||
| 99 | R | 30.8 | Very low | 36.6 | Very low | 229 Ų | 229 | 145.5 Ų | 145.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -81.6 | 131.8 | 169.3 | -79.5 | 175.7 | 70 | -164.9 | 3.5 | 108.3 | K97 V101 | K97-R99 PolarHBondContact O-N 2.95Å; K97-R99 VanDerWaalsContact O-N 3.07Å; R99-V101 PolarHBondContact O-N 2.86Å | ||
| 100 | P | 35.5 | Very low | 37.5 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -66.3 | 128.3 | 176 | 27.3 | -31.5 | 0 | 0 | 0 | 108.8 | A102 | P100-A102 VanDerWaalsContact C-N 3.33Å; P100-A102 PolarHBondContact O-N 3.38Å | ||
| 101 | V | 37.4 | Very low | 37.6 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -72.3 | 94.6 | 174.1 | -164.9 | 0 | 0 | 0 | 0 | 107.1 | R99 R103 | R99-V101 PolarHBondContact O-N 2.86Å; V101-R103 PolarHBondContact O-N 2.84Å | ||
| 102 | A | 35.8 | Very low | 38.7 | Very low | 74 Ų | 74 | 144.8 Ų | 144.8 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | trans | -56.4 | 130.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P100 S104 | P100-A102 VanDerWaalsContact C-N 3.33Å; P100-A102 PolarHBondContact O-N 3.38Å; A102-S104 VanDerWaalsContact C-N 3.27Å; A102-S104 PolarHBondContact O-N 3.37Å | ||
| 103 | R | 45.6 | Very low | 39.1 | Very low | 244 Ų | 244 | 146.9 Ų | 146.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -63.2 | 89.3 | 173.7 | -175.8 | 176.2 | 170.1 | -171.6 | -3.2 | 108.2 | V101 K105 | V101-R103 PolarHBondContact O-N 2.84Å; R103-K105 PolarHBondContact O-N 3.46Å; R103-K105 VanDerWaalsContact O-N 3.12Å | ||
| 104 | S | 35.2 | Very low | 39.6 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -59 | 116.1 | -178.8 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | A102 I106 | A102-S104 VanDerWaalsContact C-N 3.27Å; A102-S104 PolarHBondContact O-N 3.37Å; S104-I106 PolarHBondContact O-N 2.83Å | ||
| 105 | K | 40.3 | Very low | 40.6 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -58.2 | 109.7 | 169.9 | -82.1 | 170 | 176.7 | 171.1 | 0 | 107.8 | R103 K107 | R103-K105 PolarHBondContact O-N 3.46Å; R103-K105 VanDerWaalsContact O-N 3.12Å; K105-K107 PolarHBondContact O-N 3.15Å; K105-K107 VanDerWaalsContact O-N 3.16Å | ||
| 106 | I | 46.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 114.1 | 173.9 | -57 | 167.9 | 0 | 0 | 0 | 107 | S104 F108 | S104-I106 PolarHBondContact O-N 2.83Å; I106-F108 HydrophobicContact CG2-CE1 4.2Å; I106-F108 HydrophobicContact CG2-CE2 4.12Å; I106-F108 HydrophobicContact CG2-CZ 3.94Å | ||
| 107 | K | 39.2 | Very low | 42.8 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -98.1 | 117.2 | 172.7 | -72.3 | -175 | -180 | 178.3 | 0 | 107.9 | K105 | K105-K107 PolarHBondContact O-N 3.15Å; K105-K107 VanDerWaalsContact O-N 3.16Å | ||
| 108 | F | 37.4 | Very low | 44.5 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | trans | -81.7 | 117.1 | 176.9 | -60.5 | -89.2 | 0 | 0 | 0 | 108.8 | I106 | I106-F108 HydrophobicContact CG2-CE1 4.2Å; I106-F108 HydrophobicContact CG2-CE2 4.12Å; I106-F108 HydrophobicContact CG2-CZ 3.94Å | ||
| 109 | T | 41.5 | Very low | 46.7 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -105.6 | 110.5 | 170.8 | 55.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 110 | T | 50.8 | Low | 49.1 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | -84.4 | 113.4 | 173.4 | 47.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | G | 44.2 | Very low | 51.3 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 79% | 0.794 | 67% | 0.674 | S | S | * | * | trans | -115.8 | 121.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 112 | T | 56.7 | Low | 53.3 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 83% | 0.828 | 67% | 0.666 | S | S | * | * | trans | -78.8 | 150.1 | 173.5 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 113 | C | 39 | Very low | 55.2 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | S | Bend | -148.7 | 152.7 | 65.5 | -61.5 | 0 | 0 | 0 | 0 | 112 | |||
| 114 | S | 47.7 | Very low | 56.9 | Low | 114 Ų | 114 | 110 Ų | 110 | 80% | 0.797 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 80.4 | 70.5 | -179 | -42.4 | 0 | 0 | 0 | 0 | 116.1 | S116 | S114-S116 PolarHBondContact O-N 2.75Š|
| 115 | D | 50 | Low | 58.9 | Low | 173 Ų | 173 | 108 Ų | 108 | 93% | 0.925 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 22.8 | 57 | 156.1 | -67.1 | -20.7 | 0 | 0 | 0 | 119.4 | ||
| 116 | S | 56.6 | Low | 60.6 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | trans | -149.5 | 113.4 | 151.7 | -76.6 | 0 | 0 | 0 | 0 | 107.1 | S114 V118 | S114-S116 PolarHBondContact O-N 2.75Å; S116-V118 VanDerWaalsContact C-N 3.31Å; S116-V118 PolarHBondContact O-N 3.26Å | ||
| 117 | V | 60.4 | Low | 62.3 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 66% | 0.655 | 60% | 0.602 | S | S | * | * | trans | -63.8 | 98.8 | 169.9 | 179 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 118 | V | 70.8 | Confident | 64.3 | Low | 80 Ų | 80 | 91.7 Ų | 91.7 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | trans | -86.3 | 114.1 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | S116 S120 F128 | S116-V118 VanDerWaalsContact C-N 3.31Å; S116-V118 PolarHBondContact O-N 3.26Å; V118-S120 PolarHBondContact O-N 3.29Å; V118-F128 CarbonylContact C-O 3.35Å; V118-F128 WeakPolarHBondContact CA-O 3.44Å | ||
| 119 | H | 78.7 | Confident | 66.3 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 22% | 0.222 | 58% | 0.581 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78 | 103.7 | 173.5 | -61 | -81.6 | 0 | 0 | 0 | 108.9 | F128 L130 Q131 L134 | H119-F128 PolarHBondContact N-O 3.08Å; H119-F128 WeakPolarHBondContact O-CB 3.36Å; H119-F128 WeakPolarHBondContact O-CD2 3.16Å; H119-F128 PolarHBondContact O-N 3.11Å; H119-L130 VanDerWaalsContact CD2-C 3.42Å; H119-Q131 PolarHBondContact CD2-N 3.09Å; H119-Q131 PolarHBondContact CE1-OE1 3.34Å; H119-Q131 PolarHBondContact ND1-OE1 2.81Å; H119-Q131 PolarHBondContact NE2-N 3.36Å; H119-L134 HydrophobicContact CB-CB 4.05Å; H119-L134 HydrophobicContact CB-CD2 3.78Å |
| 120 | S | 81.8 | Confident | 68.1 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 150.4 | -177.9 | 50.1 | 0 | 0 | 0 | 0 | 113 | V118 K126 L134 | V118-S120 PolarHBondContact O-N 3.29Å; S120-K126 CarbonylContact C-O 3.55Å; S120-K126 WeakPolarHBondContact CA-O 3.47Å; S120-L134 WeakPolarHBondContact O-CD1 3.38Å; S120-L134 VanDerWaalsContact O-CD2 3.27Å; S120-L134 WeakPolarHBondContact O-CD2 3.47Å |
| 121 | C | 82.4 | Confident | 69.4 | Low | 2 Ų | 2 | 89.3 Ų | 89.3 | 1% | 0.014 | 54% | 0.538 | C | S | . | . | trans | -91 | 120.8 | 171 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | L123 C124 G125 K126 F128 L134 H137 H141 | C121-L123 PolarHBondContact O-N 3.43Å; C121-C124 PolarHBondContact O-N 3.34Å; C121-C124 VanDerWaalsContact SG-SG 3.65Å; C121-G125 WeakPolarHBondContact O-CA 3.38Å; C121-G125 PolarHBondContact O-N 3.44Å; C121-K126 HydrophobicContact CB-CB 4.46Å; C121-K126 PolarHBondContact N-O 3.4Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; C121-L134 HydrophobicContact CB-CD1 3.67Å; C121-H137 PolarHBondContact SG-CD2 3.02Å; C121-H137 PolarHBondContact SG-NE2 2.94Å; C121-H141 PolarHBondContact SG-NE2 3.31Å | ||
| 122 | D | 78.6 | Confident | 70.9 | Confident | 137 Ų | 137 | 93.8 Ų | 93.8 | 73% | 0.733 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -18.3 | -178.7 | -53.9 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 123 | L | 76.7 | Confident | 71.8 | Confident | 119 Ų | 119 | 89.2 Ų | 89.2 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -24.6 | -178.6 | -61.9 | 175.1 | 0 | 0 | 0 | 113.4 | C121 L138 H141 | C121-L123 PolarHBondContact O-N 3.43Å; L123-L138 HydrophobicContact CD1-CD2 4.46Å; L123-H141 HydrophobicContact CD1-CB 3.59Å; L123-H141 VanDerWaalsContact CD1-CG 3.45Å |
| 124 | C | 80.2 | Confident | 73.7 | Confident | 49 Ų | 49 | 84.4 Ų | 84.4 | 33% | 0.331 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 10.5 | -177.4 | 68.6 | 0 | 0 | 0 | 0 | 114.5 | C121 K126 H137 | C121-C124 PolarHBondContact O-N 3.34Å; C121-C124 VanDerWaalsContact SG-SG 3.65Å; C124-K126 PolarHBondContact O-N 2.97Å; C124-H137 VanDerWaalsContact SG-CE1 3.53Å; C124-H137 PolarHBondContact SG-NE2 3.29Å |
| 125 | G | 76.4 | Confident | 75.1 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | trans | 68.8 | -0 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | C121 G127 | C121-G125 WeakPolarHBondContact O-CA 3.38Å; C121-G125 PolarHBondContact O-N 3.44Å; G125-G127 PolarHBondContact O-N 3.13Å | ||
| 126 | K | 77.9 | Confident | 76.2 | Confident | 71 Ų | 71 | 79 Ų | 79 | 31% | 0.309 | 42% | 0.422 | S | S | . | . | trans | -69.1 | 125.2 | -173.7 | -71.8 | -174.3 | -179.5 | -165.4 | 0 | 112.5 | C47 S49 S120 C121 C124 F128 | C47-K126 PolarHBondContact O-NZ 3.33Å; S49-K126 PolarHBondContact OG-NZ 3.4Å; S120-K126 CarbonylContact C-O 3.55Å; S120-K126 WeakPolarHBondContact CA-O 3.47Å; C121-K126 HydrophobicContact CB-CB 4.46Å; C121-K126 PolarHBondContact N-O 3.4Å; C124-K126 PolarHBondContact O-N 2.97Å; K126-F128 HydrophobicContact CB-CE2 3.76Å; K126-F128 HydrophobicContact CB-CZ 3.96Å; K126-F128 VanDerWaalsContact O-CD2 3.32Å; K126-F128 WeakPolarHBondContact O-CD2 3.44Å; K126-F128 VanDerWaalsContact O-CE2 3.26Å; K126-F128 WeakPolarHBondContact O-CE2 3.45Å | ||
| 127 | G | 81.4 | Confident | 77.2 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 49% | 0.485 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G125 | G125-G127 PolarHBondContact O-N 3.13Å |
| 128 | F | 81.3 | Confident | 77.9 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 15% | 0.154 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.6 | 177.8 | -61.7 | -86.7 | 0 | 0 | 0 | 111.7 | V118 H119 C121 K126 L130 M133 L134 H137 | V118-F128 CarbonylContact C-O 3.35Å; V118-F128 WeakPolarHBondContact CA-O 3.44Å; H119-F128 PolarHBondContact N-O 3.08Å; H119-F128 WeakPolarHBondContact O-CB 3.36Å; H119-F128 WeakPolarHBondContact O-CD2 3.16Å; H119-F128 PolarHBondContact O-N 3.11Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; K126-F128 HydrophobicContact CB-CE2 3.76Å; K126-F128 HydrophobicContact CB-CZ 3.96Å; K126-F128 VanDerWaalsContact O-CD2 3.32Å; K126-F128 WeakPolarHBondContact O-CD2 3.44Å; K126-F128 VanDerWaalsContact O-CE2 3.26Å; K126-F128 WeakPolarHBondContact O-CE2 3.45Å; F128-L130 PolarHBondContact O-N 3.31Å; F128-M133 HydrophobicContact CB-CB 4.03Å; F128-M133 HydrophobicContact CD1-CB 3.86Å; F128-M133 HydrophobicContact CG-CB 4.23Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 3.94Å; F128-L134 HydrophobicContact CD2-CD1 3.75Å; F128-L134 HydrophobicContact CD2-CG 4.46Å; F128-L134 HydrophobicContact CE2-CD1 3.98Å; F128-L134 HydrophobicContact CG-CB 4.26Å; F128-H137 HydrophobicContact CE1-CB 3.89Å; F128-H137 HydrophobicContact CE2-CB 3.77Å; F128-H137 AromaticContact CE2-CD2 3.53Å; F128-H137 AromaticContact CE2-CG 3.56Å; F128-H137 HydrophobicContact CZ-CB 3.35Å; F128-H137 AromaticContact CZ-CD2 3.66Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.6Å |
| 129 | R | 78.8 | Confident | 77.9 | Confident | 223 Ų | 223 | 73.7 Ų | 73.7 | 84% | 0.842 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -70.5 | -15.1 | 179.4 | -62.2 | -173.8 | 179.1 | -169.6 | -1.6 | 114.7 | ||
| 130 | L | 78.9 | Confident | 77.4 | Confident | 80 Ų | 80 | 73.8 Ų | 73.8 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -141.7 | 138 | -176.2 | -64.3 | 170.7 | 0 | 0 | 0 | 110.1 | H119 F128 R132 M133 L134 | H119-L130 VanDerWaalsContact CD2-C 3.42Å; F128-L130 PolarHBondContact O-N 3.31Å; L130-R132 HydrophobicContact CB-CG 4.04Å; L130-R132 HydrophobicContact CD1-CG 4.46Å; L130-R132 PolarHBondContact O-N 3.4Å; L130-M133 HydrophobicContact CB-CB 4.47Å; L130-M133 HydrophobicContact CB-CG 3.97Å; L130-M133 HydrophobicContact CD1-CG 4.46Å; L130-M133 WeakPolarHBondContact O-CA 3.24Å; L130-M133 VanDerWaalsContact O-CB 3.31Å; L130-M133 WeakPolarHBondContact O-CB 3.36Å; L130-M133 PolarHBondContact O-N 2.85Å; L130-L134 PolarHBondContact O-N 3.16Å |
| 131 | Q | 78.1 | Confident | 76.9 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.2 | -37.6 | 177.1 | -174.4 | 64.9 | 38.1 | 0 | 0 | 112.6 | H119 M133 L134 N135 | H119-Q131 PolarHBondContact CD2-N 3.09Å; H119-Q131 PolarHBondContact CE1-OE1 3.34Å; H119-Q131 PolarHBondContact ND1-OE1 2.81Å; H119-Q131 PolarHBondContact NE2-N 3.36Å; Q131-M133 PolarHBondContact O-N 3.37Å; Q131-L134 PolarHBondContact O-N 3.08Å; Q131-N135 PolarHBondContact NE2-OD1 3.42Å; Q131-N135 PolarHBondContact O-N 3.12Å |
| 132 | R | 75.9 | Confident | 76 | Confident | 170 Ų | 170 | 79.1 Ų | 79.1 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61 | -30.1 | 176.5 | 69.7 | 177.8 | -179.6 | 117.9 | -0.4 | 113.1 | L130 R136 | L130-R132 HydrophobicContact CB-CG 4.04Å; L130-R132 HydrophobicContact CD1-CG 4.46Å; L130-R132 PolarHBondContact O-N 3.4Å; R132-R136 WeakPolarHBondContact O-CB 3.17Å; R132-R136 PolarHBondContact O-N 3.41Å; R132-R136 VanDerWaalsContact O-N 3.1Å |
| 133 | M | 76.7 | Confident | 75.1 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 19% | 0.192 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.2 | -41.3 | 178.6 | -64.1 | -69.1 | 147.8 | 0 | 0 | 110.6 | F128 L130 Q131 R136 H137 | F128-M133 HydrophobicContact CB-CB 4.03Å; F128-M133 HydrophobicContact CD1-CB 3.86Å; F128-M133 HydrophobicContact CG-CB 4.23Å; L130-M133 HydrophobicContact CB-CB 4.47Å; L130-M133 HydrophobicContact CB-CG 3.97Å; L130-M133 HydrophobicContact CD1-CG 4.46Å; L130-M133 WeakPolarHBondContact O-CA 3.24Å; L130-M133 VanDerWaalsContact O-CB 3.31Å; L130-M133 WeakPolarHBondContact O-CB 3.36Å; L130-M133 PolarHBondContact O-N 2.85Å; Q131-M133 PolarHBondContact O-N 3.37Å; M133-R136 PolarHBondContact O-N 3.41Å; M133-R136 PolarHBondContact SD-NH2 3.21Å; M133-H137 WeakPolarHBondContact O-CB 3.44Å; M133-H137 PolarHBondContact O-N 2.57Å |
| 134 | L | 79.3 | Confident | 74.2 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 171 | 175.2 | 61.4 | 0 | 0 | 0 | 111.1 | H119 S120 C121 F128 L130 Q131 R136 H137 L138 | H119-L134 HydrophobicContact CB-CB 4.05Å; H119-L134 HydrophobicContact CB-CD2 3.78Å; S120-L134 WeakPolarHBondContact O-CD1 3.38Å; S120-L134 VanDerWaalsContact O-CD2 3.27Å; S120-L134 WeakPolarHBondContact O-CD2 3.47Å; C121-L134 HydrophobicContact CB-CD1 3.67Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 3.94Å; F128-L134 HydrophobicContact CD2-CD1 3.75Å; F128-L134 HydrophobicContact CD2-CG 4.46Å; F128-L134 HydrophobicContact CE2-CD1 3.98Å; F128-L134 HydrophobicContact CG-CB 4.26Å; L130-L134 PolarHBondContact O-N 3.16Å; Q131-L134 PolarHBondContact O-N 3.08Å; L134-R136 VanDerWaalsContact C-N 3.28Å; L134-R136 PolarHBondContact O-N 3Å; L134-H137 CarbonylContact O-C 3.57Å; L134-H137 WeakPolarHBondContact O-CA 3.31Å; L134-H137 WeakPolarHBondContact O-CB 3.44Å; L134-H137 PolarHBondContact O-N 3.23Å; L134-L138 HydrophobicContact CD1-CD1 4.49Å; L134-L138 HydrophobicContact CD1-CD2 4.47Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 HydrophobicContact CG-CG 4.44Å; L134-L138 WeakPolarHBondContact O-CG 3.35Å; L134-L138 PolarHBondContact O-N 2.73Å |
| 135 | N | 76.8 | Confident | 73.4 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 177.9 | -73.1 | -14 | 0 | 0 | 0 | 112.7 | Q131 | Q131-N135 PolarHBondContact NE2-OD1 3.42Å; Q131-N135 PolarHBondContact O-N 3.12Å |
| 136 | R | 72.7 | Confident | 72.8 | Confident | 93 Ų | 93 | 85.6 Ų | 85.6 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 173 | -179.2 | 174.4 | 64 | 173.1 | 6.4 | 111.5 | R132 M133 L134 K139 | R132-R136 WeakPolarHBondContact O-CB 3.17Å; R132-R136 PolarHBondContact O-N 3.41Å; R132-R136 VanDerWaalsContact O-N 3.1Å; M133-R136 PolarHBondContact O-N 3.41Å; M133-R136 PolarHBondContact SD-NH2 3.21Å; L134-R136 VanDerWaalsContact C-N 3.28Å; L134-R136 PolarHBondContact O-N 3Å; R136-K139 WeakPolarHBondContact O-CB 3.4Å; R136-K139 PolarHBondContact O-N 3.48Å |
| 137 | H | 77.3 | Confident | 72.4 | Confident | 14 Ų | 14 | 84.9 Ų | 84.9 | 7% | 0.065 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.3 | 169 | 73.2 | 0 | 0 | 0 | 112.4 | C121 C124 F128 M133 L134 K139 C140 H141 | C121-H137 PolarHBondContact SG-CD2 3.02Å; C121-H137 PolarHBondContact SG-NE2 2.94Å; C124-H137 VanDerWaalsContact SG-CE1 3.53Å; C124-H137 PolarHBondContact SG-NE2 3.29Å; F128-H137 HydrophobicContact CE1-CB 3.89Å; F128-H137 HydrophobicContact CE2-CB 3.77Å; F128-H137 AromaticContact CE2-CD2 3.53Å; F128-H137 AromaticContact CE2-CG 3.56Å; F128-H137 HydrophobicContact CZ-CB 3.35Å; F128-H137 AromaticContact CZ-CD2 3.66Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.6Å; M133-H137 WeakPolarHBondContact O-CB 3.44Å; M133-H137 PolarHBondContact O-N 2.57Å; L134-H137 CarbonylContact O-C 3.57Å; L134-H137 WeakPolarHBondContact O-CA 3.31Å; L134-H137 WeakPolarHBondContact O-CB 3.44Å; L134-H137 PolarHBondContact O-N 3.23Å; H137-K139 PolarHBondContact O-N 2.93Å; H137-K139 VanDerWaalsContact O-N 3.14Å; H137-C140 WeakPolarHBondContact O-CB 2.94Å; H137-C140 PolarHBondContact O-N 3.48Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.59Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-NE2 3.05Å; H137-H141 PolarHBondContact NE2-NE2 3.37Å |
| 138 | L | 74.9 | Confident | 71.8 | Confident | 57 Ų | 57 | 88 Ų | 88 | 30% | 0.298 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.4 | -25.5 | 176.8 | -69.6 | 174.6 | 0 | 0 | 0 | 113.2 | L123 L134 C140 H141 | L123-L138 HydrophobicContact CD1-CD2 4.46Å; L134-L138 HydrophobicContact CD1-CD1 4.49Å; L134-L138 HydrophobicContact CD1-CD2 4.47Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 HydrophobicContact CG-CG 4.44Å; L134-L138 WeakPolarHBondContact O-CG 3.35Å; L134-L138 PolarHBondContact O-N 2.73Å; L138-C140 PolarHBondContact O-N 3.27Å; L138-H141 PolarHBondContact O-N 3.47Å |
| 139 | K | 70.9 | Confident | 71.4 | Confident | 96 Ų | 96 | 86.5 Ų | 86.5 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -23.9 | 173.3 | -61.6 | 178.7 | -179.2 | -178.7 | 0 | 113.1 | R136 H137 N157 | R136-K139 WeakPolarHBondContact O-CB 3.4Å; R136-K139 PolarHBondContact O-N 3.48Å; H137-K139 PolarHBondContact O-N 2.93Å; H137-K139 VanDerWaalsContact O-N 3.14Å; K139-N157 HydrophobicContact CB-CB 4.31Å |
| 140 | C | 68.9 | Low | 71 | Confident | 50 Ų | 50 | 80.3 Ų | 80.3 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 176 | -164.2 | 0 | 0 | 0 | 0 | 111.7 | H137 L138 N142 Q143 | H137-C140 WeakPolarHBondContact O-CB 2.94Å; H137-C140 PolarHBondContact O-N 3.48Å; L138-C140 PolarHBondContact O-N 3.27Å; C140-N142 VanDerWaalsContact C-N 3.34Å; C140-N142 PolarHBondContact O-N 3.25Å; C140-Q143 PolarHBondContact O-N 3.1Å |
| 141 | H | 70.6 | Confident | 70.4 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 178.5 | -69.7 | -64.6 | 0 | 0 | 0 | 112.7 | C121 L123 H137 L138 Q143 | C121-H141 PolarHBondContact SG-NE2 3.31Å; L123-H141 HydrophobicContact CD1-CB 3.59Å; L123-H141 VanDerWaalsContact CD1-CG 3.45Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.59Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-NE2 3.05Å; H137-H141 PolarHBondContact NE2-NE2 3.37Å; L138-H141 PolarHBondContact O-N 3.47Å; H141-Q143 VanDerWaalsContact C-N 3.27Å; H141-Q143 PolarHBondContact O-N 3.18Å |
| 142 | N | 63.4 | Low | 70.1 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 0.1 | -178.8 | -68.9 | -16.9 | 0 | 0 | 0 | 113.8 | C140 V144 | C140-N142 VanDerWaalsContact C-N 3.34Å; C140-N142 PolarHBondContact O-N 3.25Å; N142-V144 HydrophobicContact CB-CG2 4.25Å; N142-V144 VanDerWaalsContact O-CG2 3.25Å; N142-V144 WeakPolarHBondContact O-CG2 3.35Å; N142-V144 PolarHBondContact O-N 3.49Å |
| 143 | Q | 60.9 | Low | 69.7 | Low | 141 Ų | 141 | 76 Ų | 76 | 66% | 0.659 | 39% | 0.388 | S | S | * | . | trans | 50 | 8.4 | -176.6 | -61.8 | -171.2 | -7.8 | 0 | 0 | 116.3 | C140 H141 K145 | C140-Q143 PolarHBondContact O-N 3.1Å; H141-Q143 VanDerWaalsContact C-N 3.27Å; H141-Q143 PolarHBondContact O-N 3.18Å; Q143-K145 PolarHBondContact O-N 3.14Å | ||
| 144 | V | 56.6 | Low | 69.5 | Low | 77 Ų | 77 | 79.9 Ų | 79.9 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | trans | -78.2 | 76.3 | 178.5 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | N142 R146 | N142-V144 HydrophobicContact CB-CG2 4.25Å; N142-V144 VanDerWaalsContact O-CG2 3.25Å; N142-V144 WeakPolarHBondContact O-CG2 3.35Å; N142-V144 PolarHBondContact O-N 3.49Å; V144-R146 HydrophobicContact CG1-CG 3.8Å; V144-R146 PolarHBondContact O-N 3.36Å; V144-R146 VanDerWaalsContact O-N 3.15Å | ||
| 145 | K | 63.8 | Low | 69.2 | Low | 98 Ų | 98 | 79.8 Ų | 79.8 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | trans | -72.6 | 97.9 | 168.6 | -76.6 | 165 | 170.4 | 173.4 | 0 | 108.6 | Q143 G155 | Q143-K145 PolarHBondContact O-N 3.14Å; K145-G155 VanDerWaalsContact CD-O 3.23Å; K145-G155 WeakPolarHBondContact CD-O 3.22Å; K145-G155 WeakPolarHBondContact CE-O 3.49Å | ||
| 146 | R | 64.9 | Low | 69.2 | Low | 185 Ų | 185 | 77.7 Ų | 77.7 | 70% | 0.698 | 39% | 0.393 | S | S | * | . | trans | -79.8 | -18.1 | -175.4 | -63.1 | -177.9 | -176.1 | -120.5 | -1.4 | 113.9 | V144 F156 | V144-R146 HydrophobicContact CG1-CG 3.8Å; V144-R146 PolarHBondContact O-N 3.36Å; V144-R146 VanDerWaalsContact O-N 3.15Å; R146-F156 PolarHBondContact N-O 3Å | ||
| 147 | H | 69 | Low | 69 | Low | 57 Ų | 57 | 74.7 Ų | 74.7 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 102.3 | -171 | -59.7 | -61.6 | 0 | 0 | 0 | 110.4 | G155 F156 D158 T159 L162 | H147-G155 CarbonylContact O-C 3.49Å; H147-F156 HydrophobicContact CB-CB 4.31Å; H147-F156 PolarHBondContact N-O 3.45Å; H147-F156 VanDerWaalsContact N-O 3.1Å; H147-F156 PolarHBondContact O-N 3.01Å; H147-D158 VanDerWaalsContact CD2-C 3.48Å; H147-T159 PolarHBondContact CD2-N 3.45Å; H147-T159 WeakPolarHBondContact CE1-CG2 3.37Å; H147-L162 HydrophobicContact CB-CB 4.22Å; H147-L162 HydrophobicContact CB-CD2 3.87Å |
| 148 | L | 68.6 | Low | 68.5 | Low | 111 Ų | 111 | 76.5 Ų | 76.5 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 142 | -178.4 | -59 | 174.8 | 0 | 0 | 0 | 111 | ||
| 149 | C | 72.4 | Confident | 68 | Low | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | trans | -77.8 | 129.3 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | F151 C152 G153 K154 F156 L162 H165 | C149-F151 VanDerWaalsContact C-N 3.32Å; C149-F151 PolarHBondContact O-N 2.9Å; C149-C152 VanDerWaalsContact SG-SG 3.68Å; C149-G153 WeakPolarHBondContact O-CA 3.5Å; C149-G153 PolarHBondContact O-N 3Å; C149-K154 HydrophobicContact CB-CB 4.48Å; C149-K154 WeakPolarHBondContact CB-O 3.45Å; C149-K154 PolarHBondContact N-O 2.88Å; C149-F156 HydrophobicContact CB-CE2 4.16Å; C149-L162 HydrophobicContact CB-CD1 3.8Å; C149-H165 PolarHBondContact SG-CD2 3.31Å; C149-H165 PolarHBondContact SG-NE2 3.47Å | ||
| 150 | T | 70.1 | Confident | 68 | Low | 94 Ų | 94 | 77.3 Ų | 77.3 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.7 | 178.6 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 151 | F | 66.1 | Low | 68.2 | Low | 100 Ų | 100 | 76.2 Ų | 76.2 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -32 | -179.9 | -65.8 | -83.6 | 0 | 0 | 0 | 113.6 | C149 V166 H169 T170 | C149-F151 VanDerWaalsContact C-N 3.32Å; C149-F151 PolarHBondContact O-N 2.9Å; F151-V166 HydrophobicContact CD2-CG1 4.43Å; F151-V166 HydrophobicContact CE2-CG1 3.9Å; F151-H169 HydrophobicContact CB-CB 4.22Å; F151-H169 HydrophobicContact CD1-CB 4.11Å; F151-H169 HydrophobicContact CD2-CB 4Å; F151-H169 AromaticContact CD2-CD2 3.96Å; F151-H169 HydrophobicContact CE2-CB 4.41Å; F151-H169 HydrophobicContact CG-CB 3.84Å; F151-H169 AromaticContact CG-CD2 3.91Å; F151-H169 AromaticContact CG-CG 3.75Å; F151-T170 HydrophobicContact CZ-CG2 4.25Å |
| 152 | C | 72.3 | Confident | 68.5 | Low | 66 Ų | 66 | 75.3 Ų | 75.3 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | 7.1 | -172.1 | 67.5 | 0 | 0 | 0 | 0 | 114.9 | C149 K154 H165 H169 | C149-C152 VanDerWaalsContact SG-SG 3.68Å; C152-K154 PolarHBondContact O-N 3.43Å; C152-H165 PolarHBondContact SG-NE2 2.85Å; C152-H169 PolarHBondContact SG-NE2 2.99Å; C152-H169 VanDerWaalsContact SG-NE2 3.43Å |
| 153 | G | 67.8 | Low | 68.9 | Low | 51 Ų | 51 | 73.5 Ų | 73.5 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | trans | 69.6 | -4.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C149 G155 | C149-G153 WeakPolarHBondContact O-CA 3.5Å; C149-G153 PolarHBondContact O-N 3Å; G153-G155 PolarHBondContact O-N 3.15Å | ||
| 154 | K | 72.4 | Confident | 69.6 | Low | 120 Ų | 120 | 71.1 Ų | 71.1 | 52% | 0.522 | 36% | 0.36 | S | S | . | . | trans | -63.2 | 129.4 | -175.6 | -168.8 | 165.9 | -174.4 | 166.9 | 0 | 111.5 | C149 C152 F156 | C149-K154 HydrophobicContact CB-CB 4.48Å; C149-K154 WeakPolarHBondContact CB-O 3.45Å; C149-K154 PolarHBondContact N-O 2.88Å; C152-K154 PolarHBondContact O-N 3.43Å; K154-F156 HydrophobicContact CB-CE2 4.03Å; K154-F156 HydrophobicContact CB-CZ 4.31Å; K154-F156 HydrophobicContact CD-CZ 4.09Å; K154-F156 HydrophobicContact CG-CE2 4.05Å; K154-F156 HydrophobicContact CG-CZ 3.96Å; K154-F156 VanDerWaalsContact O-CD2 3.29Å; K154-F156 WeakPolarHBondContact O-CD2 3.36Å; K154-F156 WeakPolarHBondContact O-CE2 3.3Å | ||
| 155 | G | 73.3 | Confident | 70.7 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 140.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K145 H147 G153 | K145-G155 VanDerWaalsContact CD-O 3.23Å; K145-G155 WeakPolarHBondContact CD-O 3.22Å; K145-G155 WeakPolarHBondContact CE-O 3.49Å; H147-G155 CarbonylContact O-C 3.49Å; G153-G155 PolarHBondContact O-N 3.15Å |
| 156 | F | 75.3 | Confident | 71 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.9 | -178.7 | -62.1 | -89.3 | 0 | 0 | 0 | 111.3 | R146 H147 C149 K154 D161 L162 H165 | R146-F156 PolarHBondContact N-O 3Å; H147-F156 HydrophobicContact CB-CB 4.31Å; H147-F156 PolarHBondContact N-O 3.45Å; H147-F156 VanDerWaalsContact N-O 3.1Å; H147-F156 PolarHBondContact O-N 3.01Å; C149-F156 HydrophobicContact CB-CE2 4.16Å; K154-F156 HydrophobicContact CB-CE2 4.03Å; K154-F156 HydrophobicContact CB-CZ 4.31Å; K154-F156 HydrophobicContact CD-CZ 4.09Å; K154-F156 HydrophobicContact CG-CE2 4.05Å; K154-F156 HydrophobicContact CG-CZ 3.96Å; K154-F156 VanDerWaalsContact O-CD2 3.29Å; K154-F156 WeakPolarHBondContact O-CD2 3.36Å; K154-F156 WeakPolarHBondContact O-CE2 3.3Å; F156-D161 HydrophobicContact CB-CB 4.4Å; F156-D161 HydrophobicContact CD1-CB 3.91Å; F156-D161 HydrophobicContact CG-CB 4.5Å; F156-L162 HydrophobicContact CB-CB 4.13Å; F156-L162 HydrophobicContact CD2-CB 3.97Å; F156-L162 HydrophobicContact CD2-CD1 3.68Å; F156-L162 HydrophobicContact CD2-CG 4.43Å; F156-L162 HydrophobicContact CE2-CD1 3.96Å; F156-L162 HydrophobicContact CG-CB 4.11Å; F156-H165 HydrophobicContact CE1-CB 3.69Å; F156-H165 AromaticContact CE1-CG 3.98Å; F156-H165 HydrophobicContact CE2-CB 3.91Å; F156-H165 AromaticContact CE2-CD2 3.4Å; F156-H165 VanDerWaalsContact CE2-CD2 3.4Å; F156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; F156-H165 AromaticContact CE2-CG 3.64Å; F156-H165 HydrophobicContact CZ-CB 3.31Å; F156-H165 AromaticContact CZ-CD2 3.39Å; F156-H165 WeakPolarHBondContact CZ-CD2 3.4Å; F156-H165 AromaticContact CZ-CG 3.12Å; F156-H165 AromaticContact CZ-ND1 3.63Å |
| 157 | N | 68.6 | Low | 71.6 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 17% | 0.166 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -85.1 | -15.4 | -179.4 | -65.8 | -25.2 | 0 | 0 | 0 | 113.3 | K139 | K139-N157 HydrophobicContact CB-CB 4.31Š|
| 158 | D | 66.7 | Low | 72 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -142.7 | 145.8 | -179.1 | -165.7 | -14 | 0 | 0 | 0 | 110.6 | H147 F160 D161 L162 | H147-D158 VanDerWaalsContact CD2-C 3.48Å; D158-F160 PolarHBondContact O-N 3.32Å; D158-F160 PolarHBondContact OD1-N 3.29Å; D158-D161 PolarHBondContact O-N 3.48Å; D158-L162 PolarHBondContact O-N 3.47Å; D158-L162 VanDerWaalsContact O-N 3.14Å |
| 159 | T | 66.3 | Low | 72.2 | Confident | 64 Ų | 64 | 56.9 Ų | 56.9 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -33.7 | 172.3 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | H147 L162 K163 | H147-T159 PolarHBondContact CD2-N 3.45Å; H147-T159 WeakPolarHBondContact CE1-CG2 3.37Å; T159-L162 PolarHBondContact O-N 2.87Å; T159-K163 WeakPolarHBondContact O-CB 3.45Å; T159-K163 VanDerWaalsContact O-CG 3.25Å; T159-K163 WeakPolarHBondContact O-CG 3.19Å; T159-K163 PolarHBondContact O-N 3.42Å |
| 160 | F | 70.4 | Confident | 71.9 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 178.1 | -179.2 | -95.3 | 0 | 0 | 0 | 111.5 | D158 K163 R164 | D158-F160 PolarHBondContact O-N 3.32Å; D158-F160 PolarHBondContact OD1-N 3.29Å; F160-K163 PolarHBondContact O-N 3.11Å; F160-R164 PolarHBondContact O-N 2.85Å |
| 161 | D | 73.7 | Confident | 71.9 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.15 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 179 | -69.1 | -43.3 | 0 | 0 | 0 | 111.4 | F156 D158 R164 H165 | F156-D161 HydrophobicContact CB-CB 4.4Å; F156-D161 HydrophobicContact CD1-CB 3.91Å; F156-D161 HydrophobicContact CG-CB 4.5Å; D158-D161 PolarHBondContact O-N 3.48Å; D161-R164 PolarHBondContact O-N 3.3Å; D161-R164 IonicContact OD1-CZ 3.12Å; D161-R164 IonicContact OD1-NE 2.85Å; D161-R164 IonicContact OD1-NH2 3.38Å; D161-R164 PolarHBondContact OD1-NH2 2.81Å; D161-H165 WeakPolarHBondContact O-CB 3.5Å; D161-H165 PolarHBondContact O-N 3.27Å |
| 162 | L | 75.1 | Confident | 72 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 171.8 | 173.3 | 60.8 | 0 | 0 | 0 | 111.5 | H147 C149 F156 D158 T159 R164 H165 V166 | H147-L162 HydrophobicContact CB-CB 4.22Å; H147-L162 HydrophobicContact CB-CD2 3.87Å; C149-L162 HydrophobicContact CB-CD1 3.8Å; F156-L162 HydrophobicContact CB-CB 4.13Å; F156-L162 HydrophobicContact CD2-CB 3.97Å; F156-L162 HydrophobicContact CD2-CD1 3.68Å; F156-L162 HydrophobicContact CD2-CG 4.43Å; F156-L162 HydrophobicContact CE2-CD1 3.96Å; F156-L162 HydrophobicContact CG-CB 4.11Å; D158-L162 PolarHBondContact O-N 3.47Å; D158-L162 VanDerWaalsContact O-N 3.14Å; T159-L162 PolarHBondContact O-N 2.87Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.71Å; L162-H165 WeakPolarHBondContact O-CB 3.3Å; L162-H165 PolarHBondContact O-N 3.45Å; L162-H165 VanDerWaalsContact O-N 3.11Å; L162-V166 HydrophobicContact CD1-CG2 4.05Å; L162-V166 HydrophobicContact CG-CG2 4.47Å; L162-V166 WeakPolarHBondContact O-CG2 3.23Å; L162-V166 PolarHBondContact O-N 2.8Å |
| 163 | K | 72.3 | Confident | 72.2 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 179.3 | -75.2 | 178.2 | 179.5 | -177.7 | 0 | 112.5 | T159 F160 V166 L213 | T159-K163 WeakPolarHBondContact O-CB 3.45Å; T159-K163 VanDerWaalsContact O-CG 3.25Å; T159-K163 WeakPolarHBondContact O-CG 3.19Å; T159-K163 PolarHBondContact O-N 3.42Å; F160-K163 PolarHBondContact O-N 3.11Å; K163-V166 PolarHBondContact O-N 3.39Å; K163-L213 HydrophobicContact CB-CD1 3.99Å; K163-L213 HydrophobicContact CG-CD1 4.07Å |
| 164 | R | 75.2 | Confident | 72.4 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.3 | 175.3 | 174.1 | 56.4 | 160.9 | -2 | 110.9 | F160 D161 L162 R167 | F160-R164 PolarHBondContact O-N 2.85Å; D161-R164 PolarHBondContact O-N 3.3Å; D161-R164 IonicContact OD1-CZ 3.12Å; D161-R164 IonicContact OD1-NE 2.85Å; D161-R164 IonicContact OD1-NH2 3.38Å; D161-R164 PolarHBondContact OD1-NH2 2.81Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.71Å; R164-R167 WeakPolarHBondContact O-CB 3.36Å; R164-R167 PolarHBondContact O-N 3.22Å |
| 165 | H | 80.5 | Confident | 72.6 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.9 | 169.3 | 70.9 | 0 | 0 | 0 | 112.4 | C149 C152 F156 D161 L162 R167 T168 H169 | C149-H165 PolarHBondContact SG-CD2 3.31Å; C149-H165 PolarHBondContact SG-NE2 3.47Å; C152-H165 PolarHBondContact SG-NE2 2.85Å; F156-H165 HydrophobicContact CE1-CB 3.69Å; F156-H165 AromaticContact CE1-CG 3.98Å; F156-H165 HydrophobicContact CE2-CB 3.91Å; F156-H165 AromaticContact CE2-CD2 3.4Å; F156-H165 VanDerWaalsContact CE2-CD2 3.4Å; F156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; F156-H165 AromaticContact CE2-CG 3.64Å; F156-H165 HydrophobicContact CZ-CB 3.31Å; F156-H165 AromaticContact CZ-CD2 3.39Å; F156-H165 WeakPolarHBondContact CZ-CD2 3.4Å; F156-H165 AromaticContact CZ-CG 3.12Å; F156-H165 AromaticContact CZ-ND1 3.63Å; D161-H165 WeakPolarHBondContact O-CB 3.5Å; D161-H165 PolarHBondContact O-N 3.27Å; L162-H165 WeakPolarHBondContact O-CB 3.3Å; L162-H165 PolarHBondContact O-N 3.45Å; L162-H165 VanDerWaalsContact O-N 3.11Å; H165-R167 PolarHBondContact O-N 3.5Å; H165-R167 VanDerWaalsContact O-N 3.09Å; H165-T168 VanDerWaalsContact O-CB 3.32Å; H165-T168 WeakPolarHBondContact O-CB 3.3Å; H165-T168 WeakPolarHBondContact O-CG2 3.16Å; H165-T168 PolarHBondContact O-N 2.6Å; H165-T168 PolarHBondContact O-OG1 2.98Å; H165-H169 AromaticContact CE1-NE2 3.58Å; H165-H169 AromaticContact NE2-CD2 3.73Å; H165-H169 AromaticContact NE2-NE2 3.22Å; H165-H169 PolarHBondContact NE2-NE2 3.47Å |
| 166 | V | 70.9 | Confident | 72.9 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -25.1 | 178.7 | 168.9 | 0 | 0 | 0 | 0 | 113 | F151 L162 K163 T168 H169 T170 T222 | F151-V166 HydrophobicContact CD2-CG1 4.43Å; F151-V166 HydrophobicContact CE2-CG1 3.9Å; L162-V166 HydrophobicContact CD1-CG2 4.05Å; L162-V166 HydrophobicContact CG-CG2 4.47Å; L162-V166 WeakPolarHBondContact O-CG2 3.23Å; L162-V166 PolarHBondContact O-N 2.8Å; K163-V166 PolarHBondContact O-N 3.39Å; V166-T168 PolarHBondContact O-N 3.01Å; V166-H169 PolarHBondContact O-N 3.13Å; V166-T170 HydrophobicContact CG1-CG2 4.22Å; V166-T170 PolarHBondContact O-N 2.83Å; V166-T170 VanDerWaalsContact O-N 3.15Å; V166-T170 PolarHBondContact O-OG1 3.35Å; V166-T222 WeakPolarHBondContact CG1-OG1 3.4Å |
| 167 | R | 77.4 | Confident | 73.2 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.038 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -22.3 | 172.7 | -60.2 | 177.3 | -172.8 | 163.7 | 3.6 | 113.5 | R164 H165 T170 G171 I172 Y175 T185 D211 | R164-R167 WeakPolarHBondContact O-CB 3.36Å; R164-R167 PolarHBondContact O-N 3.22Å; H165-R167 PolarHBondContact O-N 3.5Å; H165-R167 VanDerWaalsContact O-N 3.09Å; R167-T170 WeakPolarHBondContact CA-OG1 3.24Å; R167-G171 WeakPolarHBondContact O-CA 3.42Å; R167-G171 PolarHBondContact O-N 2.84Å; R167-I172 PolarHBondContact O-N 3.43Å; R167-Y175 PolarHBondContact NH1-OH 3.02Å; R167-T185 PolarHBondContact NH1-O 3.15Å; R167-D211 IonicContact CZ-OD1 2.87Å; R167-D211 IonicContact CZ-OD2 2.72Å; R167-D211 IonicContact NH2-OD1 3.62Å; R167-D211 PolarHBondContact NH2-OD1 3.33Å; R167-D211 IonicContact NH2-OD2 3.9Å; R167-D211 PolarHBondContact NH2-OD2 2.85Å |
| 168 | T | 76.1 | Confident | 73.8 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.6 | -32.2 | 177 | 65.7 | 0 | 0 | 0 | 0 | 112 | H165 V166 | H165-T168 VanDerWaalsContact O-CB 3.32Å; H165-T168 WeakPolarHBondContact O-CB 3.3Å; H165-T168 WeakPolarHBondContact O-CG2 3.16Å; H165-T168 PolarHBondContact O-N 2.6Å; H165-T168 PolarHBondContact O-OG1 2.98Å; V166-T168 PolarHBondContact O-N 3.01Å |
| 169 | H | 72.4 | Confident | 74.4 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 38% | 0.384 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79.4 | -40.4 | 175.6 | -66.1 | -65.9 | 0 | 0 | 0 | 112 | F151 C152 H165 V166 | F151-H169 HydrophobicContact CB-CB 4.22Å; F151-H169 HydrophobicContact CD1-CB 4.11Å; F151-H169 HydrophobicContact CD2-CB 4Å; F151-H169 AromaticContact CD2-CD2 3.96Å; F151-H169 HydrophobicContact CE2-CB 4.41Å; F151-H169 HydrophobicContact CG-CB 3.84Å; F151-H169 AromaticContact CG-CD2 3.91Å; F151-H169 AromaticContact CG-CG 3.75Å; C152-H169 PolarHBondContact SG-NE2 2.99Å; C152-H169 VanDerWaalsContact SG-NE2 3.43Å; H165-H169 AromaticContact CE1-NE2 3.58Å; H165-H169 AromaticContact NE2-CD2 3.73Å; H165-H169 AromaticContact NE2-NE2 3.22Å; H165-H169 PolarHBondContact NE2-NE2 3.47Å; V166-H169 PolarHBondContact O-N 3.13Å |
| 170 | T | 67.4 | Low | 75.2 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -87.2 | -9.5 | -175.1 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | F151 V166 R167 I172 | F151-T170 HydrophobicContact CZ-CG2 4.25Å; V166-T170 HydrophobicContact CG1-CG2 4.22Å; V166-T170 PolarHBondContact O-N 2.83Å; V166-T170 VanDerWaalsContact O-N 3.15Å; V166-T170 PolarHBondContact O-OG1 3.35Å; R167-T170 WeakPolarHBondContact CA-OG1 3.24Å; T170-I172 HydrophobicContact CG2-CD1 4.37Å; T170-I172 PolarHBondContact O-N 3.25Å; T170-I172 VanDerWaalsContact O-N 3.13Å; T170-I172 WeakPolarHBondContact OG1-CD1 3.33Å; T170-I172 WeakPolarHBondContact OG1-CG1 3.43Å |
| 171 | G | 70.9 | Confident | 75.6 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | trans | 65.7 | 11.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R167 R173 | R167-G171 WeakPolarHBondContact O-CA 3.42Å; R167-G171 PolarHBondContact O-N 2.84Å; G171-R173 PolarHBondContact O-N 2.99Å | ||
| 172 | I | 67.6 | Low | 76 | Confident | 42 Ų | 42 | 67.8 Ų | 67.8 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -71 | 124.5 | -174.3 | -63.5 | 168 | 0 | 0 | 0 | 110.6 | R167 T170 P174 P224 | R167-I172 PolarHBondContact O-N 3.43Å; T170-I172 HydrophobicContact CG2-CD1 4.37Å; T170-I172 PolarHBondContact O-N 3.25Å; T170-I172 VanDerWaalsContact O-N 3.13Å; T170-I172 WeakPolarHBondContact OG1-CD1 3.33Å; T170-I172 WeakPolarHBondContact OG1-CG1 3.43Å; I172-P174 WeakPolarHBondContact O-CD 3.42Å; I172-P224 HydrophobicContact CD1-CB 4.02Å; I172-P224 HydrophobicContact CD1-CG 3.95Å | ||
| 173 | R | 75.8 | Confident | 76.2 | Confident | 126 Ų | 126 | 67.3 Ų | 67.3 | 48% | 0.475 | 35% | 0.349 | S | S | . | . | trans | -119.6 | 82.2 | -178.2 | -66.1 | 171.5 | 85.9 | 116.4 | 0.5 | 110.6 | G171 Y175 A183 F184 T185 | G171-R173 PolarHBondContact O-N 2.99Å; R173-Y175 PolarHBondContact O-N 3.43Å; R173-A183 HydrophobicContact CB-CB 3.52Å; R173-A183 HydrophobicContact CG-CB 4.47Å; R173-A183 VanDerWaalsContact NE-C 3.32Å; R173-A183 PolarHBondContact NE-O 3.33Å; R173-A183 PolarHBondContact NH2-O 3.36Å; R173-F184 CarbonylContact C-O 3.57Å; R173-F184 WeakPolarHBondContact CA-O 3.46Å; R173-T185 HydrophobicContact CG-CG2 3.72Å | ||
| 174 | P | 71.8 | Confident | 76.6 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 25% | 0.253 | 34% | 0.339 | S | S | . | . | trans | -74.8 | -12.5 | -170.9 | 29.2 | -32.1 | 0 | 0 | 0 | 113.7 | I172 F184 | I172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-F184 WeakPolarHBondContact CD-O 3.36Å | ||
| 175 | Y | 78.1 | Confident | 76.7 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 103.3 | -176.2 | -52.3 | -75.3 | 0 | 0 | 0 | 110.2 | R167 R173 A183 F184 T185 Q186 R187 D211 | R167-Y175 PolarHBondContact NH1-OH 3.02Å; R173-Y175 PolarHBondContact O-N 3.43Å; Y175-A183 CarbonylContact O-C 3.44Å; Y175-A183 VanDerWaalsContact O-CA 3.31Å; Y175-A183 WeakPolarHBondContact O-CA 3.14Å; Y175-F184 WeakPolarHBondContact CD2-O 3.29Å; Y175-F184 PolarHBondContact N-O 3.29Å; Y175-F184 VanDerWaalsContact N-O 3.1Å; Y175-F184 PolarHBondContact O-N 3.31Å; Y175-T185 VanDerWaalsContact CE2-O 3.3Å; Y175-T185 WeakPolarHBondContact CE2-O 3.35Å; Y175-Q186 VanDerWaalsContact CD2-CA 3.45Å; Y175-Q186 VanDerWaalsContact CE2-C 3.44Å; Y175-R187 HydrophobicContact CD1-CB 4.2Å; Y175-R187 HydrophobicContact CE1-CB 3.96Å; Y175-R187 VanDerWaalsContact CE2-N 3.35Å; Y175-D211 PolarHBondContact OH-OD2 3.3Å |
| 176 | K | 78.6 | Confident | 76.7 | Confident | 136 Ų | 136 | 63.1 Ų | 63.1 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141 | 178.1 | -63.1 | -175.1 | -179.3 | -176 | 0 | 111.1 | K182 A183 | K176-K182 CarbonylContact C-O 3.51Å; K176-A183 HydrophobicContact CG-CB 3.96Å |
| 177 | C | 81.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | trans | -76.7 | 123.7 | 169.6 | 179.8 | 0 | 0 | 0 | 0 | 109 | V179 N181 K182 F184 L190 H193 L194 | C177-V179 PolarHBondContact O-N 2.9Å; C177-V179 PolarHBondContact SG-N 2.87Å; C177-V179 VanDerWaalsContact SG-N 3.45Å; C177-N181 WeakPolarHBondContact O-CA 3.47Å; C177-N181 PolarHBondContact O-N 3.21Å; C177-K182 WeakPolarHBondContact CB-O 3.2Å; C177-K182 PolarHBondContact N-O 3.48Å; C177-F184 HydrophobicContact CB-CE2 4.36Å; C177-L190 HydrophobicContact CB-CD1 3.73Å; C177-H193 PolarHBondContact SG-NE2 2.61Å; C177-H193 VanDerWaalsContact SG-NE2 3.37Å; C177-L194 VanDerWaalsContact SG-CD2 3.58Å | ||
| 178 | N | 80.1 | Confident | 77.3 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 65% | 0.652 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.4 | 180 | -61.3 | -13 | 0 | 0 | 0 | 113 | ||
| 179 | V | 79.5 | Confident | 77.8 | Confident | 88 Ų | 88 | 69 Ų | 69 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -46.3 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | C177 L194 H198 | C177-V179 PolarHBondContact O-N 2.9Å; C177-V179 PolarHBondContact SG-N 2.87Å; C177-V179 VanDerWaalsContact SG-N 3.45Å; V179-L194 HydrophobicContact CG2-CD2 4.42Å; V179-H198 VanDerWaalsContact CG1-CE1 3.5Å; V179-H198 WeakPolarHBondContact CG1-CE1 3.4Å; V179-H198 WeakPolarHBondContact CG1-ND1 3.46Å |
| 180 | C | 83.9 | Confident | 78.4 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 32% | 0.324 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 9.7 | -177.3 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | K182 H193 H198 | C180-K182 PolarHBondContact O-N 3.27Å; C180-H193 VanDerWaalsContact SG-CE1 3.52Å; C180-H193 PolarHBondContact SG-NE2 3.09Å; C180-H198 PolarHBondContact SG-NE2 3.17Å |
| 181 | N | 79.4 | Confident | 79.2 | Confident | 127 Ų | 127 | 68.8 Ų | 68.8 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | trans | 58.4 | 4.3 | -179.5 | -66.7 | -49.2 | 0 | 0 | 0 | 116.3 | C177 A183 | C177-N181 WeakPolarHBondContact O-CA 3.47Å; C177-N181 PolarHBondContact O-N 3.21Å; N181-A183 PolarHBondContact O-N 3.22Å | ||
| 182 | K | 80.9 | Confident | 80 | Confident | 133 Ų | 133 | 69.3 Ų | 69.3 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | trans | -62.3 | 128.4 | 174.5 | -73.7 | -172 | 178.4 | -166.5 | 0 | 110.7 | K176 C177 C180 F184 | K176-K182 CarbonylContact C-O 3.51Å; C177-K182 WeakPolarHBondContact CB-O 3.2Å; C177-K182 PolarHBondContact N-O 3.48Å; C180-K182 PolarHBondContact O-N 3.27Å; K182-F184 HydrophobicContact CB-CE2 3.99Å; K182-F184 HydrophobicContact CB-CZ 4.1Å; K182-F184 WeakPolarHBondContact O-CE2 3.37Å | ||
| 183 | A | 80.3 | Confident | 81 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 154.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R173 Y175 K176 N181 | R173-A183 HydrophobicContact CB-CB 3.52Å; R173-A183 HydrophobicContact CG-CB 4.47Å; R173-A183 VanDerWaalsContact NE-C 3.32Å; R173-A183 PolarHBondContact NE-O 3.33Å; R173-A183 PolarHBondContact NH2-O 3.36Å; Y175-A183 CarbonylContact O-C 3.44Å; Y175-A183 VanDerWaalsContact O-CA 3.31Å; Y175-A183 WeakPolarHBondContact O-CA 3.14Å; K176-A183 HydrophobicContact CG-CB 3.96Å; N181-A183 PolarHBondContact O-N 3.22Å |
| 184 | F | 80.7 | Confident | 81.4 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.2 | 179.2 | -59.7 | -88.4 | 0 | 0 | 0 | 110.7 | R173 P174 Y175 C177 K182 L190 H193 | R173-F184 CarbonylContact C-O 3.57Å; R173-F184 WeakPolarHBondContact CA-O 3.46Å; P174-F184 WeakPolarHBondContact CD-O 3.36Å; Y175-F184 WeakPolarHBondContact CD2-O 3.29Å; Y175-F184 PolarHBondContact N-O 3.29Å; Y175-F184 VanDerWaalsContact N-O 3.1Å; Y175-F184 PolarHBondContact O-N 3.31Å; C177-F184 HydrophobicContact CB-CE2 4.36Å; K182-F184 HydrophobicContact CB-CE2 3.99Å; K182-F184 HydrophobicContact CB-CZ 4.1Å; K182-F184 WeakPolarHBondContact O-CE2 3.37Å; F184-L190 HydrophobicContact CB-CB 4.37Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.75Å; F184-L190 HydrophobicContact CD2-CG 4.4Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.24Å; F184-H193 HydrophobicContact CE1-CB 3.94Å; F184-H193 HydrophobicContact CE2-CB 3.99Å; F184-H193 AromaticContact CE2-CD2 3.55Å; F184-H193 AromaticContact CE2-CG 3.72Å; F184-H193 HydrophobicContact CZ-CB 3.44Å; F184-H193 VanDerWaalsContact CZ-CB 3.44Å; F184-H193 AromaticContact CZ-CD2 3.58Å; F184-H193 AromaticContact CZ-CG 3.25Å; F184-H193 AromaticContact CZ-ND1 3.68Å |
| 185 | T | 77.1 | Confident | 82.1 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -79.9 | -19.8 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | R167 R173 Y175 | R167-T185 PolarHBondContact NH1-O 3.15Å; R173-T185 HydrophobicContact CG-CG2 3.72Å; Y175-T185 VanDerWaalsContact CE2-O 3.3Å; Y175-T185 WeakPolarHBondContact CE2-O 3.35Å |
| 186 | Q | 79.2 | Confident | 82.7 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -134.9 | 148.2 | -176.9 | -54.5 | -174.8 | 36.4 | 0 | 0 | 112.1 | Y175 S189 L190 | Y175-Q186 VanDerWaalsContact CD2-CA 3.45Å; Y175-Q186 VanDerWaalsContact CE2-C 3.44Å; Q186-S189 WeakPolarHBondContact O-CB 3.39Å; Q186-S189 PolarHBondContact O-N 2.74Å; Q186-L190 PolarHBondContact O-N 3.33Å |
| 187 | R | 80.6 | Confident | 83.1 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.9 | -45.5 | 178 | -179.8 | -175.6 | 172.6 | 114.4 | 1.9 | 112.3 | Y175 S189 L190 E191 | Y175-R187 HydrophobicContact CD1-CB 4.2Å; Y175-R187 HydrophobicContact CE1-CB 3.96Å; Y175-R187 VanDerWaalsContact CE2-N 3.35Å; R187-S189 PolarHBondContact O-N 3.15Å; R187-L190 WeakPolarHBondContact O-CB 3.44Å; R187-L190 PolarHBondContact O-N 3.29Å; R187-L190 VanDerWaalsContact O-N 3.1Å; R187-E191 PolarHBondContact O-N 2.82Å |
| 188 | C | 81.3 | Confident | 83.2 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.3 | -32.7 | -179.7 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | E191 S192 | C188-E191 PolarHBondContact O-N 3.1Å; C188-S192 WeakPolarHBondContact O-CB 3.37Å; C188-S192 PolarHBondContact O-N 3.38Å; C188-S192 PolarHBondContact O-OG 3.14Å |
| 189 | S | 85.3 | Confident | 83.4 | Confident | 39 Ų | 39 | 73 Ų | 73 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 174 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | Q186 R187 H193 | Q186-S189 WeakPolarHBondContact O-CB 3.39Å; Q186-S189 PolarHBondContact O-N 2.74Å; R187-S189 PolarHBondContact O-N 3.15Å; S189-H193 VanDerWaalsContact O-CB 3.3Å; S189-H193 WeakPolarHBondContact O-CB 3.32Å; S189-H193 PolarHBondContact O-N 3.43Å |
| 190 | L | 85.8 | Confident | 83.1 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 13% | 0.131 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 173.8 | 171.7 | 63.5 | 0 | 0 | 0 | 111.3 | C177 F184 Q186 R187 S192 H193 L194 | C177-L190 HydrophobicContact CB-CD1 3.73Å; F184-L190 HydrophobicContact CB-CB 4.37Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.75Å; F184-L190 HydrophobicContact CD2-CG 4.4Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.24Å; Q186-L190 PolarHBondContact O-N 3.33Å; R187-L190 WeakPolarHBondContact O-CB 3.44Å; R187-L190 PolarHBondContact O-N 3.29Å; R187-L190 VanDerWaalsContact O-N 3.1Å; L190-S192 PolarHBondContact O-N 2.56Å; L190-H193 WeakPolarHBondContact O-CB 3.35Å; L190-H193 PolarHBondContact O-N 2.76Å; L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CG 3.99Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 2.93Å |
| 191 | E | 84.6 | Confident | 82.1 | Confident | 103 Ų | 103 | 74.6 Ų | 74.6 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 180 | -173.5 | 174.6 | 175.8 | 0 | 0 | 112 | R187 C188 H193 L194 K195 | R187-E191 PolarHBondContact O-N 2.82Å; C188-E191 PolarHBondContact O-N 3.1Å; E191-H193 VanDerWaalsContact C-N 3.31Å; E191-H193 PolarHBondContact O-N 3.35Å; E191-L194 PolarHBondContact O-N 3.11Å; E191-K195 WeakPolarHBondContact O-CB 3.32Å; E191-K195 PolarHBondContact O-N 2.89Å |
| 192 | S | 87 | Confident | 81.1 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 43% | 0.427 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.6 | -61 | 0 | 0 | 0 | 0 | 111.7 | C188 L190 K196 | C188-S192 WeakPolarHBondContact O-CB 3.37Å; C188-S192 PolarHBondContact O-N 3.38Å; C188-S192 PolarHBondContact O-OG 3.14Å; L190-S192 PolarHBondContact O-N 2.56Å; S192-K196 VanDerWaalsContact O-CB 3.28Å; S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 VanDerWaalsContact O-CG 3.25Å; S192-K196 WeakPolarHBondContact O-CG 3.25Å; S192-K196 PolarHBondContact O-N 3.48Å |
| 193 | H | 88.1 | Confident | 79.9 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 11% | 0.106 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 175.7 | 163.3 | 75.5 | 0 | 0 | 0 | 112 | C177 C180 F184 S189 L190 E191 K195 K196 I197 H198 | C177-H193 PolarHBondContact SG-NE2 2.61Å; C177-H193 VanDerWaalsContact SG-NE2 3.37Å; C180-H193 VanDerWaalsContact SG-CE1 3.52Å; C180-H193 PolarHBondContact SG-NE2 3.09Å; F184-H193 HydrophobicContact CE1-CB 3.94Å; F184-H193 HydrophobicContact CE2-CB 3.99Å; F184-H193 AromaticContact CE2-CD2 3.55Å; F184-H193 AromaticContact CE2-CG 3.72Å; F184-H193 HydrophobicContact CZ-CB 3.44Å; F184-H193 VanDerWaalsContact CZ-CB 3.44Å; F184-H193 AromaticContact CZ-CD2 3.58Å; F184-H193 AromaticContact CZ-CG 3.25Å; F184-H193 AromaticContact CZ-ND1 3.68Å; S189-H193 VanDerWaalsContact O-CB 3.3Å; S189-H193 WeakPolarHBondContact O-CB 3.32Å; S189-H193 PolarHBondContact O-N 3.43Å; L190-H193 WeakPolarHBondContact O-CB 3.35Å; L190-H193 PolarHBondContact O-N 2.76Å; E191-H193 VanDerWaalsContact C-N 3.31Å; E191-H193 PolarHBondContact O-N 3.35Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.2Å; H193-K196 PolarHBondContact O-N 2.81Å; H193-I197 WeakPolarHBondContact ND1-CG1 3.23Å; H193-I197 VanDerWaalsContact O-CB 3.28Å; H193-I197 WeakPolarHBondContact O-CB 3.32Å; H193-I197 WeakPolarHBondContact O-CG1 3.34Å; H193-I197 PolarHBondContact O-N 2.91Å; H193-H198 AromaticContact CE1-NE2 3.65Å; H193-H198 AromaticContact NE2-CD2 3.54Å; H193-H198 AromaticContact NE2-NE2 3.25Å; H193-H198 PolarHBondContact NE2-NE2 3.38Å |
| 194 | L | 85.2 | Confident | 78.2 | Confident | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.052 | 41% | 0.413 | C | S | . | . | I | π-helix | trans | -59.8 | -44.5 | 177.7 | -72.9 | 169.1 | 0 | 0 | 0 | 111.2 | C177 V179 L190 E191 H198 G199 V200 Q202 | C177-L194 VanDerWaalsContact SG-CD2 3.58Å; V179-L194 HydrophobicContact CG2-CD2 4.42Å; L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CG 3.99Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 2.93Å; E191-L194 PolarHBondContact O-N 3.11Å; L194-H198 CarbonylContact O-C 3.18Å; L194-H198 WeakPolarHBondContact O-CA 3.4Å; L194-H198 WeakPolarHBondContact O-CB 3.43Å; L194-H198 PolarHBondContact O-N 2.99Å; L194-G199 PolarHBondContact O-N 3.5Å; L194-V200 CarbonylContact C-O 3.6Å; L194-V200 PolarHBondContact O-N 2.9Å; L194-Q202 HydrophobicContact CD1-CB 4.27Å |
| 195 | K | 87.5 | Confident | 76.3 | Confident | 135 Ų | 135 | 86.1 Ų | 86.1 | 59% | 0.587 | 44% | 0.443 | S | S | * | . | I | π-helix | trans | -63.9 | -46.7 | 177.8 | -171.7 | 176.6 | -174.2 | 174.5 | 0 | 112.2 | E191 H193 G199 | E191-K195 WeakPolarHBondContact O-CB 3.32Å; E191-K195 PolarHBondContact O-N 2.89Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.2Å; K195-G199 WeakPolarHBondContact O-CA 3.38Å; K195-G199 PolarHBondContact O-N 3.19Å |
| 196 | K | 88.8 | Confident | 75.1 | Confident | 174 Ų | 174 | 89.3 Ų | 89.3 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | I | π-helix | trans | -78.1 | -37.4 | -173.7 | -71.4 | -179 | 178.9 | -172.1 | 0 | 113.7 | S192 H193 | S192-K196 VanDerWaalsContact O-CB 3.28Å; S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 VanDerWaalsContact O-CG 3.25Å; S192-K196 WeakPolarHBondContact O-CG 3.25Å; S192-K196 PolarHBondContact O-N 3.48Å; H193-K196 PolarHBondContact O-N 2.81Å |
| 197 | I | 88.7 | Confident | 73.6 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | I | π-helix | trans | -100.5 | -36.5 | -170.9 | -54.2 | -56.4 | 0 | 0 | 0 | 111.8 | H193 | H193-I197 WeakPolarHBondContact ND1-CG1 3.23Å; H193-I197 VanDerWaalsContact O-CB 3.28Å; H193-I197 WeakPolarHBondContact O-CB 3.32Å; H193-I197 WeakPolarHBondContact O-CG1 3.34Å; H193-I197 PolarHBondContact O-N 2.91Å |
| 198 | H | 84.1 | Confident | 72.2 | Confident | 51 Ų | 51 | 97 Ų | 97 | 24% | 0.236 | 49% | 0.49 | C | S | . | . | I | π-helix | trans | -109.6 | -10.4 | -174.3 | -60.4 | -61 | 0 | 0 | 0 | 113.2 | V179 C180 H193 L194 V200 | V179-H198 VanDerWaalsContact CG1-CE1 3.5Å; V179-H198 WeakPolarHBondContact CG1-CE1 3.4Å; V179-H198 WeakPolarHBondContact CG1-ND1 3.46Å; C180-H198 PolarHBondContact SG-NE2 3.17Å; H193-H198 AromaticContact CE1-NE2 3.65Å; H193-H198 AromaticContact NE2-CD2 3.54Å; H193-H198 AromaticContact NE2-NE2 3.25Å; H193-H198 PolarHBondContact NE2-NE2 3.38Å; L194-H198 CarbonylContact O-C 3.18Å; L194-H198 WeakPolarHBondContact O-CA 3.4Å; L194-H198 WeakPolarHBondContact O-CB 3.43Å; L194-H198 PolarHBondContact O-N 2.99Å; H198-V200 HydrophobicContact CB-CB 4.43Å; H198-V200 HydrophobicContact CB-CG2 3.95Å; H198-V200 WeakPolarHBondContact O-CG2 3.38Å; H198-V200 PolarHBondContact O-N 3.42Å; H198-V200 VanDerWaalsContact O-N 3.1Å |
| 199 | G | 82.6 | Confident | 70.4 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 67% | 0.67 | 51% | 0.512 | S | S | * | . | trans | 64.6 | 8.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L194 K195 | L194-G199 PolarHBondContact O-N 3.5Å; K195-G199 WeakPolarHBondContact O-CA 3.38Å; K195-G199 PolarHBondContact O-N 3.19Å | ||
| 200 | V | 73.3 | Confident | 68.8 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | trans | -91.3 | 127.3 | -175.7 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | L194 H198 | L194-V200 CarbonylContact C-O 3.6Å; L194-V200 PolarHBondContact O-N 2.9Å; H198-V200 HydrophobicContact CB-CB 4.43Å; H198-V200 HydrophobicContact CB-CG2 3.95Å; H198-V200 WeakPolarHBondContact O-CG2 3.38Å; H198-V200 PolarHBondContact O-N 3.42Å; H198-V200 VanDerWaalsContact O-N 3.1Å | ||
| 201 | Q | 64.2 | Low | 67.5 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | trans | -95.6 | 94.3 | 164.3 | -70.2 | -73.8 | -69.4 | 0 | 0 | 107.5 | Q203 | Q201-Q203 PolarHBondContact O-N 2.99Š| ||
| 202 | Q | 58.8 | Low | 66.5 | Low | 111 Ų | 111 | 113 Ų | 113 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | trans | -77.1 | 114.3 | 179.2 | -144.5 | -163 | 84.5 | 0 | 0 | 109.9 | L194 | L194-Q202 HydrophobicContact CD1-CB 4.27Š| ||
| 203 | Q | 54.8 | Low | 65.6 | Low | 139 Ų | 139 | 111.3 Ų | 111.3 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | trans | -100.1 | 155.4 | 164.3 | -59.6 | -157.3 | 5.2 | 0 | 0 | 109.5 | Q201 | Q201-Q203 PolarHBondContact O-N 2.99Š| ||
| 204 | Y | 44.2 | Very low | 64.6 | Low | 214 Ų | 214 | 112.6 Ų | 112.6 | 84% | 0.839 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 73 | 122.6 | 174.5 | 38.5 | -87.7 | 0 | 0 | 0 | 122.1 | ||
| 205 | A | 41.6 | Very low | 63.7 | Low | 91 Ų | 91 | 116 Ų | 116 | 75% | 0.752 | 55% | 0.548 | S | S | * | . | trans | 62.5 | 60.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | K207 | A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.1Å | ||
| 206 | Y | 51.1 | Low | 62.9 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | trans | -65.8 | 98 | 151.4 | -179.7 | -99 | 0 | 0 | 0 | 108.8 | Q208 | Y206-Q208 PolarHBondContact O-N 2.68Š| ||
| 207 | K | 47.7 | Very low | 61.9 | Low | 194 Ų | 194 | 109.1 Ų | 109.1 | 84% | 0.843 | 52% | 0.521 | S | S | * | . | trans | -59.8 | 106.9 | 169.1 | -81 | 179.6 | 179.6 | 173.3 | 0 | 107.6 | A205 R209 | A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.1Å; K207-R209 PolarHBondContact O-N 2.72Å | ||
| 208 | Q | 51.2 | Low | 60.8 | Low | 160 Ų | 160 | 107.8 Ų | 107.8 | 75% | 0.748 | 52% | 0.516 | S | S | * | . | trans | -49 | 105 | 175.1 | -62.9 | 179.5 | 24 | 0 | 0 | 110 | Y206 R210 | Y206-Q208 PolarHBondContact O-N 2.68Å; Q208-R210 PolarHBondContact O-N 2.77Å | ||
| 209 | R | 43.6 | Very low | 60.1 | Low | 216 Ų | 216 | 108.5 Ų | 108.5 | 82% | 0.815 | 53% | 0.526 | S | S | * | . | trans | -75 | 91.8 | 131.3 | -68.1 | -152 | -175 | -167.6 | 4.8 | 103.8 | K207 D211 | K207-R209 PolarHBondContact O-N 2.72Å; R209-D211 PolarHBondContact O-N 2.88Å | ||
| 210 | R | 52.3 | Low | 59.3 | Low | 195 Ų | 195 | 106.2 Ų | 106.2 | 74% | 0.736 | 50% | 0.502 | S | S | * | . | trans | -34.6 | 127.6 | 170.3 | -176.8 | 174.8 | 174.8 | 168.9 | -1.9 | 106.3 | Q208 K212 | Q208-R210 PolarHBondContact O-N 2.77Å; R210-K212 HydrophobicContact CG-CB 4.45Å; R210-K212 WeakPolarHBondContact O-CA 3.41Å; R210-K212 VanDerWaalsContact O-CB 3.32Å; R210-K212 WeakPolarHBondContact O-CB 3.31Å; R210-K212 PolarHBondContact O-N 3.17Å | ||
| 211 | D | 58.7 | Low | 59.1 | Low | 45 Ų | 45 | 107.5 Ų | 107.5 | 24% | 0.241 | 50% | 0.501 | C | S | . | . | trans | -57.6 | 64.6 | 175.1 | -68.6 | -43.1 | 0 | 0 | 0 | 110.2 | R167 Y175 R209 L213 | R167-D211 IonicContact CZ-OD1 2.87Å; R167-D211 IonicContact CZ-OD2 2.72Å; R167-D211 IonicContact NH2-OD1 3.62Å; R167-D211 PolarHBondContact NH2-OD1 3.33Å; R167-D211 IonicContact NH2-OD2 3.9Å; R167-D211 PolarHBondContact NH2-OD2 2.85Å; Y175-D211 PolarHBondContact OH-OD2 3.3Å; R209-D211 PolarHBondContact O-N 2.88Å; D211-L213 VanDerWaalsContact C-N 3.33Å; D211-L213 PolarHBondContact O-N 2.91Å | ||
| 212 | K | 63.3 | Low | 59.1 | Low | 99 Ų | 99 | 103 Ų | 103 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | trans | -99 | 79.4 | -170 | -169.3 | 174.7 | 176.4 | -157.8 | 0 | 104 | R210 Y214 | R210-K212 HydrophobicContact CG-CB 4.45Å; R210-K212 WeakPolarHBondContact O-CA 3.41Å; R210-K212 VanDerWaalsContact O-CB 3.32Å; R210-K212 WeakPolarHBondContact O-CB 3.31Å; R210-K212 PolarHBondContact O-N 3.17Å; K212-Y214 HydrophobicContact CB-CE2 4.26Å; K212-Y214 HydrophobicContact CD-CE1 4.19Å; K212-Y214 HydrophobicContact CD-CE2 4.04Å; K212-Y214 WeakPolarHBondContact CD-OH 3.5Å; K212-Y214 WeakPolarHBondContact CE-OH 3.06Å; K212-Y214 HydrophobicContact CG-CD2 4.37Å; K212-Y214 HydrophobicContact CG-CE1 4.45Å; K212-Y214 HydrophobicContact CG-CE2 3.86Å; K212-Y214 PolarHBondContact NZ-OH 3.33Å; K212-Y214 WeakPolarHBondContact O-CD2 3.34Å; K212-Y214 WeakPolarHBondContact O-CE2 3.38Å; K212-Y214 PolarHBondContact O-N 2.77Å | ||
| 213 | L | 67.9 | Low | 59.3 | Low | 25 Ų | 25 | 97.8 Ų | 97.8 | 13% | 0.131 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 125.2 | 162.3 | -59 | 177.1 | 0 | 0 | 0 | 106.7 | K163 D211 G223 | K163-L213 HydrophobicContact CB-CD1 3.99Å; K163-L213 HydrophobicContact CG-CD1 4.07Å; D211-L213 VanDerWaalsContact C-N 3.33Å; D211-L213 PolarHBondContact O-N 2.91Å; L213-G223 CarbonylContact C-O 3.42Å; L213-G223 WeakPolarHBondContact CA-O 3.25Å |
| 214 | Y | 66.4 | Low | 59.4 | Low | 51 Ų | 51 | 94 Ų | 94 | 20% | 0.2 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.6 | 177.2 | -74.1 | -92.7 | 0 | 0 | 0 | 107.5 | K212 T222 G223 Q226 L229 | K212-Y214 HydrophobicContact CB-CE2 4.26Å; K212-Y214 HydrophobicContact CD-CE1 4.19Å; K212-Y214 HydrophobicContact CD-CE2 4.04Å; K212-Y214 WeakPolarHBondContact CD-OH 3.5Å; K212-Y214 WeakPolarHBondContact CE-OH 3.06Å; K212-Y214 HydrophobicContact CG-CD2 4.37Å; K212-Y214 HydrophobicContact CG-CE1 4.45Å; K212-Y214 HydrophobicContact CG-CE2 3.86Å; K212-Y214 PolarHBondContact NZ-OH 3.33Å; K212-Y214 WeakPolarHBondContact O-CD2 3.34Å; K212-Y214 WeakPolarHBondContact O-CE2 3.38Å; K212-Y214 PolarHBondContact O-N 2.77Å; Y214-T222 CarbonylContact O-C 2.94Å; Y214-T222 VanDerWaalsContact O-CA 3.3Å; Y214-T222 WeakPolarHBondContact O-CA 3.3Å; Y214-G223 PolarHBondContact N-O 3.38Å; Y214-G223 PolarHBondContact O-N 3.37Å; Y214-Q226 HydrophobicContact CD1-CB 4.14Å; Y214-Q226 HydrophobicContact CD1-CG 4.23Å; Y214-Q226 HydrophobicContact CD2-CB 4.49Å; Y214-Q226 HydrophobicContact CE1-CB 3.79Å; Y214-Q226 HydrophobicContact CE1-CG 3.96Å; Y214-Q226 HydrophobicContact CE2-CB 4.17Å; Y214-Q226 HydrophobicContact CG-CB 4.47Å; Y214-L229 HydrophobicContact CD1-CD2 4.48Å |
| 215 | V | 67 | Low | 60.4 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 49% | 0.485 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134 | -176.4 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | Y221 T222 | V215-Y221 CarbonylContact C-O 3.52Å; V215-Y221 VanDerWaalsContact CA-O 3.3Å; V215-Y221 WeakPolarHBondContact CA-O 3.34Å; V215-T222 HydrophobicContact CB-CG2 4.42Å; V215-T222 HydrophobicContact CG1-CG2 4.18Å; V215-T222 HydrophobicContact CG2-CG2 3.89Å |
| 216 | C | 70.3 | Confident | 61.6 | Low | 3 Ų | 3 | 85 Ų | 85 | 2% | 0.02 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 125.2 | 170.3 | -176 | 0 | 0 | 0 | 0 | 109.1 | D218 C219 G220 Y221 L229 | C216-D218 VanDerWaalsContact C-N 3.26Å; C216-D218 PolarHBondContact O-N 3.27Å; C216-C219 VanDerWaalsContact SG-SG 3.61Å; C216-G220 WeakPolarHBondContact O-CA 3.3Å; C216-G220 PolarHBondContact O-N 3.25Å; C216-Y221 PolarHBondContact N-O 2.93Å; C216-L229 VanDerWaalsContact CA-CD1 3.48Å; C216-L229 HydrophobicContact CB-CD1 3.51Å |
| 217 | E | 67.6 | Low | 62.3 | Low | 162 Ų | 162 | 81.9 Ų | 81.9 | 76% | 0.757 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -22.6 | 179.3 | -65.5 | 177.6 | 172.1 | 0 | 0 | 112 | ||
| 218 | D | 66.6 | Low | 63.3 | Low | 85 Ų | 85 | 75 Ų | 75 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -30.6 | -175.6 | -58.8 | -48.1 | 0 | 0 | 0 | 113.1 | C216 S240 | C216-D218 VanDerWaalsContact C-N 3.26Å; C216-D218 PolarHBondContact O-N 3.27Å; D218-S240 WeakPolarHBondContact OD2-CB 3.39Å; D218-S240 PolarHBondContact OD2-OG 3.3Å |
| 219 | C | 69.5 | Low | 64.5 | Low | 66 Ų | 66 | 67.6 Ų | 67.6 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139 | -1.8 | -176.5 | 72.4 | 0 | 0 | 0 | 0 | 115.2 | C216 Y221 H232 H237 | C216-C219 VanDerWaalsContact SG-SG 3.61Å; C219-Y221 VanDerWaalsContact C-N 3.27Å; C219-Y221 PolarHBondContact O-N 3.37Å; C219-Y221 VanDerWaalsContact SG-CB 3.51Å; C219-Y221 PolarHBondContact SG-N 2.87Å; C219-Y221 VanDerWaalsContact SG-N 3.45Å; C219-H232 VanDerWaalsContact SG-CE1 3.51Å; C219-H232 PolarHBondContact SG-NE2 3.25Å; C219-H237 WeakPolarHBondContact CB-NE2 3.46Å; C219-H237 PolarHBondContact SG-NE2 2.92Å; C219-H237 VanDerWaalsContact SG-NE2 3.38Å |
| 220 | G | 66.4 | Low | 65.9 | Low | 17 Ų | 17 | 59.1 Ų | 59.1 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | trans | 75.8 | 7.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C216 T222 | C216-G220 WeakPolarHBondContact O-CA 3.3Å; C216-G220 PolarHBondContact O-N 3.25Å; G220-T222 PolarHBondContact O-N 3.47Å | ||
| 221 | Y | 68.9 | Low | 67 | Low | 87 Ų | 87 | 54.7 Ų | 54.7 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | trans | -55.5 | 133.8 | 173.2 | 171.9 | -95.3 | 0 | 0 | 0 | 111.5 | V215 C216 C219 L229 H232 | V215-Y221 CarbonylContact C-O 3.52Å; V215-Y221 VanDerWaalsContact CA-O 3.3Å; V215-Y221 WeakPolarHBondContact CA-O 3.34Å; C216-Y221 PolarHBondContact N-O 2.93Å; C219-Y221 VanDerWaalsContact C-N 3.27Å; C219-Y221 PolarHBondContact O-N 3.37Å; C219-Y221 VanDerWaalsContact SG-CB 3.51Å; C219-Y221 PolarHBondContact SG-N 2.87Å; C219-Y221 VanDerWaalsContact SG-N 3.45Å; Y221-L229 HydrophobicContact CD1-CD1 4.25Å; Y221-H232 WeakPolarHBondContact CB-NE2 3.42Å; Y221-H232 HydrophobicContact CD1-CB 3.62Å; Y221-H232 AromaticContact CD1-CD2 3.51Å; Y221-H232 AromaticContact CD1-CG 3.3Å; Y221-H232 AromaticContact CD1-ND1 3.82Å; Y221-H232 AromaticContact CD2-ND1 3.76Å; Y221-H232 HydrophobicContact CE1-CB 3.53Å; Y221-H232 AromaticContact CE1-CG 3.73Å; Y221-H232 HydrophobicContact CG-CB 4.26Å; Y221-H232 AromaticContact CG-CD2 3.68Å; Y221-H232 AromaticContact CG-CE1 3.71Å; Y221-H232 AromaticContact CG-CG 3.52Å; Y221-H232 AromaticContact CG-ND1 3.54Å; Y221-H232 AromaticContact CG-NE2 3.8Å | ||
| 222 | T | 62.5 | Low | 68 | Low | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 113.5 | -179.7 | 65.4 | 0 | 0 | 0 | 0 | 112 | V166 Y214 V215 G220 | V166-T222 WeakPolarHBondContact CG1-OG1 3.4Å; Y214-T222 CarbonylContact O-C 2.94Å; Y214-T222 VanDerWaalsContact O-CA 3.3Å; Y214-T222 WeakPolarHBondContact O-CA 3.3Å; V215-T222 HydrophobicContact CB-CG2 4.42Å; V215-T222 HydrophobicContact CG1-CG2 4.18Å; V215-T222 HydrophobicContact CG2-CG2 3.89Å; G220-T222 PolarHBondContact O-N 3.47Å |
| 223 | G | 63.2 | Low | 68.4 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 148 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L213 Y214 T225 | L213-G223 CarbonylContact C-O 3.42Å; L213-G223 WeakPolarHBondContact CA-O 3.25Å; Y214-G223 PolarHBondContact N-O 3.38Å; Y214-G223 PolarHBondContact O-N 3.37Å; G223-T225 VanDerWaalsContact C-N 3.3Å |
| 224 | P | 56.6 | Low | 68.8 | Low | 61 Ų | 61 | 52 Ų | 52 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.9 | -21.7 | 175.2 | 21 | -23.5 | 0 | 0 | 0 | 113.7 | I172 D228 | I172-P224 HydrophobicContact CD1-CB 4.02Å; I172-P224 HydrophobicContact CD1-CG 3.95Å; P224-D228 VanDerWaalsContact CD-OD2 3.23Å; P224-D228 WeakPolarHBondContact CD-OD2 3.45Å; P224-D228 VanDerWaalsContact CG-OD2 3.24Å; P224-D228 WeakPolarHBondContact CG-OD2 3.5Å |
| 225 | T | 65.6 | Low | 69.2 | Low | 49 Ų | 49 | 54.1 Ų | 54.1 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -129.4 | 165.9 | 177.3 | 73 | 0 | 0 | 0 | 0 | 112.4 | G223 E227 D228 L229 | G223-T225 VanDerWaalsContact C-N 3.3Å; T225-E227 PolarHBondContact OG1-N 2.97Å; T225-D228 WeakPolarHBondContact CB-OD2 3.38Å; T225-D228 PolarHBondContact N-OD2 2.72Å; T225-D228 PolarHBondContact O-N 2.95Å; T225-D228 PolarHBondContact OG1-N 3.17Å; T225-D228 VanDerWaalsContact OG1-N 3.11Å; T225-D228 PolarHBondContact OG1-OD2 3.32Å; T225-L229 PolarHBondContact O-N 3.39Å |
| 226 | Q | 67.8 | Low | 69.6 | Low | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.1 | -27.5 | 173.5 | -165.2 | 171 | -49.7 | 0 | 0 | 111.4 | Y214 Y230 L250 | Y214-Q226 HydrophobicContact CD1-CB 4.14Å; Y214-Q226 HydrophobicContact CD1-CG 4.23Å; Y214-Q226 HydrophobicContact CD2-CB 4.49Å; Y214-Q226 HydrophobicContact CE1-CB 3.79Å; Y214-Q226 HydrophobicContact CE1-CG 3.96Å; Y214-Q226 HydrophobicContact CE2-CB 4.17Å; Y214-Q226 HydrophobicContact CG-CB 4.47Å; Q226-Y230 WeakPolarHBondContact O-CB 3.39Å; Q226-Y230 PolarHBondContact O-N 2.95Å; Q226-L250 HydrophobicContact CB-CD1 4.21Å; Q226-L250 HydrophobicContact CG-CD1 4.08Å; Q226-L250 HydrophobicContact CG-CD2 4.2Å |
| 227 | E | 65.5 | Low | 70 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 171.5 | -93.9 | 114.5 | 152.1 | 0 | 0 | 112.1 | T225 L229 Y230 L231 L250 L254 K257 | T225-E227 PolarHBondContact OG1-N 2.97Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.98Å; E227-Y230 WeakPolarHBondContact O-CB 3.1Å; E227-Y230 PolarHBondContact O-N 2.82Å; E227-Y230 VanDerWaalsContact O-N 3.15Å; E227-L231 WeakPolarHBondContact O-CG 3.46Å; E227-L231 PolarHBondContact O-N 3.49Å; E227-L250 HydrophobicContact CG-CD2 4.22Å; E227-L254 HydrophobicContact CG-CD1 4.39Å; E227-L254 HydrophobicContact CG-CD2 3.86Å; E227-L254 HydrophobicContact CG-CG 4.29Å; E227-K257 IonicContact OE1-NZ 3.97Å; E227-K257 PolarHBondContact OE1-NZ 2.95Å |
| 228 | D | 69.3 | Low | 70 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 179.4 | -55 | -49.3 | 0 | 0 | 0 | 111.4 | P224 T225 Y230 H232 | P224-D228 VanDerWaalsContact CD-OD2 3.23Å; P224-D228 WeakPolarHBondContact CD-OD2 3.45Å; P224-D228 VanDerWaalsContact CG-OD2 3.24Å; P224-D228 WeakPolarHBondContact CG-OD2 3.5Å; T225-D228 WeakPolarHBondContact CB-OD2 3.38Å; T225-D228 PolarHBondContact N-OD2 2.72Å; T225-D228 PolarHBondContact O-N 2.95Å; T225-D228 PolarHBondContact OG1-N 3.17Å; T225-D228 VanDerWaalsContact OG1-N 3.11Å; T225-D228 PolarHBondContact OG1-OD2 3.32Å; D228-Y230 VanDerWaalsContact C-N 3.33Å; D228-H232 VanDerWaalsContact O-CB 3.3Å; D228-H232 WeakPolarHBondContact O-CB 3.34Å; D228-H232 PolarHBondContact O-N 3.18Å |
| 229 | L | 76.3 | Confident | 69.9 | Low | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.4 | 179.7 | 61 | 0 | 0 | 0 | 111.3 | Y214 C216 Y221 T225 E227 H232 V233 F242 | Y214-L229 HydrophobicContact CD1-CD2 4.48Å; C216-L229 VanDerWaalsContact CA-CD1 3.48Å; C216-L229 HydrophobicContact CB-CD1 3.51Å; Y221-L229 HydrophobicContact CD1-CD1 4.25Å; T225-L229 PolarHBondContact O-N 3.39Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.98Å; L229-H232 PolarHBondContact O-N 3.45Å; L229-V233 HydrophobicContact CD1-CG2 3.99Å; L229-V233 HydrophobicContact CG-CG2 4.34Å; L229-V233 WeakPolarHBondContact O-CB 3.25Å; L229-V233 VanDerWaalsContact O-CG2 3.22Å; L229-V233 WeakPolarHBondContact O-CG2 3.28Å; L229-V233 PolarHBondContact O-N 3.07Å; L229-F242 HydrophobicContact CD2-CE1 3.96Å; L229-F242 HydrophobicContact CD2-CE2 4.09Å; L229-F242 HydrophobicContact CD2-CZ 3.41Å; L229-F242 VanDerWaalsContact CD2-CZ 3.41Å; L229-F242 HydrophobicContact CG-CE1 4.01Å; L229-F242 HydrophobicContact CG-CZ 3.99Å |
| 230 | Y | 72.5 | Confident | 69.9 | Low | 39 Ų | 39 | 48.6 Ų | 48.6 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 177.5 | 178.9 | -93.5 | 0 | 0 | 0 | 112.4 | Q226 E227 D228 H232 V233 N234 L243 L250 L254 | Q226-Y230 WeakPolarHBondContact O-CB 3.39Å; Q226-Y230 PolarHBondContact O-N 2.95Å; E227-Y230 WeakPolarHBondContact O-CB 3.1Å; E227-Y230 PolarHBondContact O-N 2.82Å; E227-Y230 VanDerWaalsContact O-N 3.15Å; D228-Y230 VanDerWaalsContact C-N 3.33Å; Y230-H232 VanDerWaalsContact C-N 3.3Å; Y230-H232 PolarHBondContact O-N 3.37Å; Y230-V233 PolarHBondContact O-N 3.34Å; Y230-N234 VanDerWaalsContact O-CB 3.24Å; Y230-N234 WeakPolarHBondContact O-CB 3.5Å; Y230-N234 PolarHBondContact O-N 3.14Å; Y230-L243 HydrophobicContact CD2-CD2 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 3.57Å; Y230-L250 HydrophobicContact CG-CD2 4.13Å; Y230-L254 HydrophobicContact CD1-CD1 4.09Å; Y230-L254 HydrophobicContact CE1-CD1 4.2Å |
| 231 | L | 74.5 | Confident | 69.6 | Low | 102 Ų | 102 | 50.9 Ų | 50.9 | 53% | 0.534 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.4 | -74.8 | 171 | 0 | 0 | 0 | 111.7 | E227 S235 | E227-L231 WeakPolarHBondContact O-CG 3.46Å; E227-L231 PolarHBondContact O-N 3.49Å; L231-S235 WeakPolarHBondContact O-CB 3.41Å; L231-S235 PolarHBondContact O-N 3.35Å; L231-S235 VanDerWaalsContact O-N 3.11Å; L231-S235 PolarHBondContact O-OG 2.89Å |
| 232 | H | 79.7 | Confident | 69.1 | Low | 32 Ų | 32 | 48.6 Ų | 48.6 | 15% | 0.148 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -51.6 | 174.4 | 167.8 | 76.6 | 0 | 0 | 0 | 111.6 | C219 Y221 D228 L229 Y230 N234 S235 A236 H237 | C219-H232 VanDerWaalsContact SG-CE1 3.51Å; C219-H232 PolarHBondContact SG-NE2 3.25Å; Y221-H232 WeakPolarHBondContact CB-NE2 3.42Å; Y221-H232 HydrophobicContact CD1-CB 3.62Å; Y221-H232 AromaticContact CD1-CD2 3.51Å; Y221-H232 AromaticContact CD1-CG 3.3Å; Y221-H232 AromaticContact CD1-ND1 3.82Å; Y221-H232 AromaticContact CD2-ND1 3.76Å; Y221-H232 HydrophobicContact CE1-CB 3.53Å; Y221-H232 AromaticContact CE1-CG 3.73Å; Y221-H232 HydrophobicContact CG-CB 4.26Å; Y221-H232 AromaticContact CG-CD2 3.68Å; Y221-H232 AromaticContact CG-CE1 3.71Å; Y221-H232 AromaticContact CG-CG 3.52Å; Y221-H232 AromaticContact CG-ND1 3.54Å; Y221-H232 AromaticContact CG-NE2 3.8Å; D228-H232 VanDerWaalsContact O-CB 3.3Å; D228-H232 WeakPolarHBondContact O-CB 3.34Å; D228-H232 PolarHBondContact O-N 3.18Å; L229-H232 PolarHBondContact O-N 3.45Å; Y230-H232 VanDerWaalsContact C-N 3.3Å; Y230-H232 PolarHBondContact O-N 3.37Å; H232-N234 VanDerWaalsContact C-N 3.31Å; H232-N234 PolarHBondContact O-N 3.28Å; H232-S235 PolarHBondContact O-N 3.31Å; H232-S235 PolarHBondContact O-OG 3.09Å; H232-A236 VanDerWaalsContact O-CB 3.31Å; H232-A236 WeakPolarHBondContact O-CB 3.39Å; H232-A236 PolarHBondContact O-N 2.61Å; H232-H237 AromaticContact NE2-CD2 3.83Å; H232-H237 AromaticContact NE2-NE2 3.67Å |
| 233 | V | 73.4 | Confident | 69 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | -179.5 | 177.4 | 0 | 0 | 0 | 0 | 111 | L229 Y230 S235 H237 F242 L243 | L229-V233 HydrophobicContact CD1-CG2 3.99Å; L229-V233 HydrophobicContact CG-CG2 4.34Å; L229-V233 WeakPolarHBondContact O-CB 3.25Å; L229-V233 VanDerWaalsContact O-CG2 3.22Å; L229-V233 WeakPolarHBondContact O-CG2 3.28Å; L229-V233 PolarHBondContact O-N 3.07Å; Y230-V233 PolarHBondContact O-N 3.34Å; V233-S235 VanDerWaalsContact C-N 3.34Å; V233-S235 PolarHBondContact O-N 3.49Å; V233-H237 HydrophobicContact CG1-CB 4.15Å; V233-H237 CarbonylContact O-C 3.59Å; V233-H237 WeakPolarHBondContact O-CA 3.42Å; V233-H237 WeakPolarHBondContact O-CB 3.28Å; V233-H237 PolarHBondContact O-N 2.93Å; V233-F242 HydrophobicContact CB-CD1 4.22Å; V233-F242 HydrophobicContact CG1-CB 4.25Å; V233-F242 HydrophobicContact CG1-CD1 4.07Å; V233-F242 HydrophobicContact CG2-CD1 3.91Å; V233-F242 HydrophobicContact CG2-CE1 4.29Å; V233-L243 HydrophobicContact CB-CD2 4.21Å; V233-L243 HydrophobicContact CG1-CD1 4.12Å; V233-L243 HydrophobicContact CG1-CD2 3.84Å; V233-L243 HydrophobicContact CG1-CG 3.65Å |
| 234 | N | 76.3 | Confident | 68.9 | Low | 81 Ų | 81 | 56.9 Ų | 56.9 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.2 | -30.4 | 179.4 | -166.6 | 58.6 | 0 | 0 | 0 | 113.3 | Y230 H232 L243 | Y230-N234 VanDerWaalsContact O-CB 3.24Å; Y230-N234 WeakPolarHBondContact O-CB 3.5Å; Y230-N234 PolarHBondContact O-N 3.14Å; H232-N234 VanDerWaalsContact C-N 3.31Å; H232-N234 PolarHBondContact O-N 3.28Å; N234-L243 HydrophobicContact CB-CD2 4.11Å |
| 235 | S | 74.3 | Confident | 69 | Low | 94 Ų | 94 | 62 Ų | 62 | 66% | 0.657 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -90.8 | -41.7 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | L231 H232 V233 | L231-S235 WeakPolarHBondContact O-CB 3.41Å; L231-S235 PolarHBondContact O-N 3.35Å; L231-S235 VanDerWaalsContact O-N 3.11Å; L231-S235 PolarHBondContact O-OG 2.89Å; H232-S235 PolarHBondContact O-N 3.31Å; H232-S235 PolarHBondContact O-OG 3.09Å; V233-S235 VanDerWaalsContact C-N 3.34Å; V233-S235 PolarHBondContact O-N 3.49Å |
| 236 | A | 74.1 | Confident | 68.8 | Low | 50 Ų | 50 | 60.9 Ų | 60.9 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -91.3 | -24.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H232 | H232-A236 VanDerWaalsContact O-CB 3.31Å; H232-A236 WeakPolarHBondContact O-CB 3.39Å; H232-A236 PolarHBondContact O-N 2.61Å |
| 237 | H | 80.2 | Confident | 68.5 | Low | 49 Ų | 49 | 60 Ų | 60 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | trans | -138.5 | 60.1 | -175 | -51.6 | -57.5 | 0 | 0 | 0 | 112.5 | C219 H232 V233 G239 S240 | C219-H237 WeakPolarHBondContact CB-NE2 3.46Å; C219-H237 PolarHBondContact SG-NE2 2.92Å; C219-H237 VanDerWaalsContact SG-NE2 3.38Å; H232-H237 AromaticContact NE2-CD2 3.83Å; H232-H237 AromaticContact NE2-NE2 3.67Å; V233-H237 HydrophobicContact CG1-CB 4.15Å; V233-H237 CarbonylContact O-C 3.59Å; V233-H237 WeakPolarHBondContact O-CA 3.42Å; V233-H237 WeakPolarHBondContact O-CB 3.28Å; V233-H237 PolarHBondContact O-N 2.93Å; H237-G239 PolarHBondContact O-N 2.62Å; H237-S240 WeakPolarHBondContact O-CB 3.37Å; H237-S240 PolarHBondContact O-N 2.73Å | ||
| 238 | P | 65.8 | Low | 68.2 | Low | 105 Ų | 105 | 67 Ų | 67 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -5.5 | -171.4 | 23.8 | -34 | 0 | 0 | 0 | 115.6 | ||
| 239 | G | 65.1 | Low | 67.5 | Low | 65 Ų | 65 | 73 Ų | 73 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 4.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | H237 | H237-G239 PolarHBondContact O-N 2.62Š|
| 240 | S | 69.6 | Low | 66.9 | Low | 11 Ų | 11 | 73.6 Ų | 73.6 | 8% | 0.077 | 40% | 0.398 | C | S | . | . | trans | -60.5 | 141.3 | -174.7 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | D218 H237 F242 L243 | D218-S240 WeakPolarHBondContact OD2-CB 3.39Å; D218-S240 PolarHBondContact OD2-OG 3.3Å; H237-S240 WeakPolarHBondContact O-CB 3.37Å; H237-S240 PolarHBondContact O-N 2.73Å; S240-F242 PolarHBondContact O-N 3.46Å; S240-F242 VanDerWaalsContact O-N 3.1Å; S240-F242 WeakPolarHBondContact OG-CB 3.45Å; S240-F242 PolarHBondContact OG-N 2.92Å; S240-L243 PolarHBondContact O-N 3.1Å | ||
| 241 | S | 61.3 | Low | 66.4 | Low | 66 Ų | 66 | 73 Ų | 73 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -18.9 | 174.4 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | K244 K245 | S241-K244 PolarHBondContact O-N 2.93Å; S241-K245 PolarHBondContact O-N 2.85Å |
| 242 | F | 57.3 | Low | 65.7 | Low | 38 Ų | 38 | 71 Ų | 71 | 17% | 0.167 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 175.3 | -171.2 | -96.9 | 0 | 0 | 0 | 112.1 | L229 V233 S240 K244 K245 T246 | L229-F242 HydrophobicContact CD2-CE1 3.96Å; L229-F242 HydrophobicContact CD2-CE2 4.09Å; L229-F242 HydrophobicContact CD2-CZ 3.41Å; L229-F242 VanDerWaalsContact CD2-CZ 3.41Å; L229-F242 HydrophobicContact CG-CE1 4.01Å; L229-F242 HydrophobicContact CG-CZ 3.99Å; V233-F242 HydrophobicContact CB-CD1 4.22Å; V233-F242 HydrophobicContact CG1-CB 4.25Å; V233-F242 HydrophobicContact CG1-CD1 4.07Å; V233-F242 HydrophobicContact CG2-CD1 3.91Å; V233-F242 HydrophobicContact CG2-CE1 4.29Å; S240-F242 PolarHBondContact O-N 3.46Å; S240-F242 VanDerWaalsContact O-N 3.1Å; S240-F242 WeakPolarHBondContact OG-CB 3.45Å; S240-F242 PolarHBondContact OG-N 2.92Å; F242-K244 VanDerWaalsContact C-N 3.25Å; F242-K244 PolarHBondContact O-N 3.49Å; F242-K245 PolarHBondContact O-N 2.95Å; F242-T246 HydrophobicContact CD1-CG2 3.93Å; F242-T246 HydrophobicContact CD2-CG2 4.38Å; F242-T246 HydrophobicContact CE1-CG2 3.53Å; F242-T246 HydrophobicContact CE2-CG2 4Å; F242-T246 HydrophobicContact CG-CG2 4.34Å; F242-T246 HydrophobicContact CZ-CG2 3.56Å; F242-T246 PolarHBondContact O-N 3.46Å; F242-T246 PolarHBondContact O-OG1 2.94Å |
| 243 | L | 59.8 | Low | 64.6 | Low | 23 Ų | 23 | 73.9 Ų | 73.9 | 12% | 0.12 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 178.6 | -64.3 | 171.8 | 0 | 0 | 0 | 112 | Y230 V233 N234 S240 K245 S247 | Y230-L243 HydrophobicContact CD2-CD2 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 3.57Å; V233-L243 HydrophobicContact CB-CD2 4.21Å; V233-L243 HydrophobicContact CG1-CD1 4.12Å; V233-L243 HydrophobicContact CG1-CD2 3.84Å; V233-L243 HydrophobicContact CG1-CG 3.65Å; N234-L243 HydrophobicContact CB-CD2 4.11Å; S240-L243 PolarHBondContact O-N 3.1Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 3.35Å; L243-S247 WeakPolarHBondContact O-CB 3.45Å |
| 244 | K | 61.3 | Low | 63.9 | Low | 167 Ų | 167 | 76 Ų | 76 | 73% | 0.726 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.6 | -29.3 | 176 | -60.5 | -180 | -176.3 | 175.7 | 0 | 112 | S241 F242 | S241-K244 PolarHBondContact O-N 2.93Å; F242-K244 VanDerWaalsContact C-N 3.25Å; F242-K244 PolarHBondContact O-N 3.49Å |
| 245 | K | 58.8 | Low | 63.1 | Low | 169 Ų | 169 | 78.6 Ų | 78.6 | 74% | 0.735 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -91.7 | -32 | -178.9 | -68.6 | 173.8 | -176.6 | 170.2 | 0 | 113.6 | S241 F242 L243 | S241-K245 PolarHBondContact O-N 2.85Å; F242-K245 PolarHBondContact O-N 2.95Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 3.35Å |
| 246 | T | 61.3 | Low | 62.2 | Low | 24 Ų | 24 | 75.7 Ų | 75.7 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -88.9 | 0.9 | -175.5 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | F242 | F242-T246 HydrophobicContact CD1-CG2 3.93Å; F242-T246 HydrophobicContact CD2-CG2 4.38Å; F242-T246 HydrophobicContact CE1-CG2 3.53Å; F242-T246 HydrophobicContact CE2-CG2 4Å; F242-T246 HydrophobicContact CG-CG2 4.34Å; F242-T246 HydrophobicContact CZ-CG2 3.56Å; F242-T246 PolarHBondContact O-N 3.46Å; F242-T246 PolarHBondContact O-OG1 2.94Å |
| 247 | S | 62.4 | Low | 61.3 | Low | 47 Ų | 47 | 79 Ų | 79 | 33% | 0.329 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.8 | -41.7 | -158.3 | 60.1 | 0 | 0 | 0 | 0 | 116.5 | L243 A251 | L243-S247 WeakPolarHBondContact O-CB 3.45Å; S247-A251 WeakPolarHBondContact O-CB 3.4Å; S247-A251 PolarHBondContact O-N 3.34Å |
| 248 | K | 59.1 | Low | 59.8 | Low | 192 Ų | 192 | 82.8 Ų | 82.8 | 84% | 0.835 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.3 | -45.2 | -166.3 | -72.5 | -177 | 179.9 | 178.4 | 0 | 115.1 | A252 | K248-A252 WeakPolarHBondContact O-CB 3.31Å; K248-A252 PolarHBondContact O-N 3.44Å |
| 249 | K | 54.8 | Low | 59.1 | Low | 177 Ų | 177 | 82 Ų | 82 | 77% | 0.77 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -83.5 | -37.4 | -172 | -164.9 | 169.9 | -176.5 | 173.3 | 0 | 112.9 | L253 | K249-L253 WeakPolarHBondContact O-CD1 3.48Å; K249-L253 PolarHBondContact O-N 2.85Å |
| 250 | L | 63.5 | Low | 58.5 | Low | 15 Ų | 15 | 81.9 Ų | 81.9 | 8% | 0.079 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -80.9 | -36.2 | -179.5 | -144.2 | 88.5 | 0 | 0 | 0 | 111.9 | Q226 E227 Y230 L253 L254 | Q226-L250 HydrophobicContact CB-CD1 4.21Å; Q226-L250 HydrophobicContact CG-CD1 4.08Å; Q226-L250 HydrophobicContact CG-CD2 4.2Å; E227-L250 HydrophobicContact CG-CD2 4.22Å; Y230-L250 HydrophobicContact CG-CD2 4.13Å; L250-L253 PolarHBondContact O-N 3.1Å; L250-L254 WeakPolarHBondContact O-CG 3.26Å; L250-L254 PolarHBondContact O-N 3.43Å; L250-L254 VanDerWaalsContact O-N 3.1Å |
| 251 | A | 61.7 | Low | 57.5 | Low | 27 Ų | 27 | 83.4 Ų | 83.4 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S247 L253 L254 Q255 | S247-A251 WeakPolarHBondContact O-CB 3.4Å; S247-A251 PolarHBondContact O-N 3.34Å; A251-L253 PolarHBondContact O-N 2.93Å; A251-L254 PolarHBondContact O-N 3.02Å; A251-Q255 WeakPolarHBondContact O-CG 3.27Å; A251-Q255 PolarHBondContact O-N 3.27Å |
| 252 | A | 59.1 | Low | 56.9 | Low | 58 Ų | 58 | 86.8 Ų | 86.8 | 48% | 0.479 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K248 L254 G256 | K248-A252 WeakPolarHBondContact O-CB 3.31Å; K248-A252 PolarHBondContact O-N 3.44Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.24Å; A252-G256 PolarHBondContact O-N 2.98Å |
| 253 | L | 58.5 | Low | 56.6 | Low | 93 Ų | 93 | 91.7 Ų | 91.7 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -31.5 | 175.1 | -95.6 | 153.9 | 0 | 0 | 0 | 113.1 | K249 L250 A251 K257 | K249-L253 WeakPolarHBondContact O-CD1 3.48Å; K249-L253 PolarHBondContact O-N 2.85Å; L250-L253 PolarHBondContact O-N 3.1Å; A251-L253 PolarHBondContact O-N 2.93Å; L253-K257 WeakPolarHBondContact O-CG 3.16Å |
| 254 | L | 58.6 | Low | 56.3 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 24% | 0.241 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -80.2 | -38.9 | 177.4 | -74.8 | 170.6 | 0 | 0 | 0 | 112.3 | E227 Y230 L250 A251 A252 G256 K257 L258 | E227-L254 HydrophobicContact CG-CD1 4.39Å; E227-L254 HydrophobicContact CG-CD2 3.86Å; E227-L254 HydrophobicContact CG-CG 4.29Å; Y230-L254 HydrophobicContact CD1-CD1 4.09Å; Y230-L254 HydrophobicContact CE1-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.26Å; L250-L254 PolarHBondContact O-N 3.43Å; L250-L254 VanDerWaalsContact O-N 3.1Å; A251-L254 PolarHBondContact O-N 3.02Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.24Å; L254-G256 VanDerWaalsContact C-N 3.34Å; L254-G256 PolarHBondContact O-N 3.34Å; L254-K257 PolarHBondContact O-N 2.79Å; L254-L258 PolarHBondContact O-N 3.01Å |
| 255 | Q | 58.2 | Low | 55.7 | Low | 135 Ų | 135 | 93.9 Ų | 93.9 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 175.3 | -74.8 | 177 | -26 | 0 | 0 | 111.9 | A251 K257 L258 T259 | A251-Q255 WeakPolarHBondContact O-CG 3.27Å; A251-Q255 PolarHBondContact O-N 3.27Å; Q255-K257 PolarHBondContact O-N 3.36Å; Q255-L258 PolarHBondContact O-N 2.85Å; Q255-T259 PolarHBondContact O-N 3.45Å; Q255-T259 PolarHBondContact O-OG1 3.1Å |
| 256 | G | 56 | Low | 55.4 | Low | 33 Ų | 33 | 88.9 Ų | 88.9 | 34% | 0.34 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.9 | -29.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | A252 L254 T259 S260 | A252-G256 PolarHBondContact O-N 2.98Å; L254-G256 VanDerWaalsContact C-N 3.34Å; L254-G256 PolarHBondContact O-N 3.34Å; G256-T259 PolarHBondContact O-OG1 3.22Å; G256-S260 PolarHBondContact O-N 3.18Å; G256-S260 PolarHBondContact O-OG 2.87Å |
| 257 | K | 54.9 | Low | 55 | Low | 118 Ų | 118 | 90.7 Ų | 90.7 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -34 | 176.9 | -72.3 | 173.1 | -176.2 | 170.2 | 0 | 112.4 | E227 L253 L254 Q255 A261 | E227-K257 IonicContact OE1-NZ 3.97Å; E227-K257 PolarHBondContact OE1-NZ 2.95Å; L253-K257 WeakPolarHBondContact O-CG 3.16Å; L254-K257 PolarHBondContact O-N 2.79Å; Q255-K257 PolarHBondContact O-N 3.36Å; K257-A261 WeakPolarHBondContact O-CB 3.47Å; K257-A261 PolarHBondContact O-N 3.44Å; K257-A261 VanDerWaalsContact O-N 3.13Å |
| 258 | L | 48.3 | Very low | 54.5 | Low | 130 Ų | 130 | 93.3 Ų | 93.3 | 68% | 0.681 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.9 | -37.3 | 175.7 | -76.9 | 162 | 0 | 0 | 0 | 111.7 | L254 Q255 H262 | L254-L258 PolarHBondContact O-N 3.01Å; Q255-L258 PolarHBondContact O-N 2.85Å; L258-H262 PolarHBondContact O-N 3.05Å; L258-H262 VanDerWaalsContact O-N 3.08Å |
| 259 | T | 51.2 | Low | 54 | Low | 88 Ų | 88 | 87.1 Ų | 87.1 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.5 | -36.9 | 178.6 | 53.3 | 0 | 0 | 0 | 0 | 113 | Q255 G256 H262 Q263 | Q255-T259 PolarHBondContact O-N 3.45Å; Q255-T259 PolarHBondContact O-OG1 3.1Å; G256-T259 PolarHBondContact O-OG1 3.22Å; T259-H262 PolarHBondContact O-N 2.92Å; T259-Q263 PolarHBondContact O-N 3.12Å; T259-Q263 VanDerWaalsContact O-N 3.09Å |
| 260 | S | 53.6 | Low | 53.9 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 174 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | G256 H262 Q263 E264 | G256-S260 PolarHBondContact O-N 3.18Å; G256-S260 PolarHBondContact O-OG 2.87Å; S260-H262 VanDerWaalsContact C-N 3.25Å; S260-H262 PolarHBondContact O-N 3.26Å; S260-Q263 PolarHBondContact O-N 3.07Å; S260-E264 PolarHBondContact O-N 3.1Å; S260-E264 VanDerWaalsContact O-N 3.08Å |
| 261 | A | 47.2 | Very low | 53.5 | Low | 43 Ų | 43 | 89.5 Ų | 89.5 | 36% | 0.355 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -27.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K257 N265 | K257-A261 WeakPolarHBondContact O-CB 3.47Å; K257-A261 PolarHBondContact O-N 3.44Å; K257-A261 VanDerWaalsContact O-N 3.13Å; A261-N265 PolarHBondContact O-N 3.23Å; A261-N265 PolarHBondContact O-ND2 3.12Å |
| 262 | H | 49.5 | Very low | 53.1 | Low | 137 Ų | 137 | 95.7 Ų | 95.7 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.1 | -39.8 | 174.9 | -139.5 | 52 | 0 | 0 | 0 | 111.8 | L258 T259 S260 N265 T266 | L258-H262 PolarHBondContact O-N 3.05Å; L258-H262 VanDerWaalsContact O-N 3.08Å; T259-H262 PolarHBondContact O-N 2.92Å; S260-H262 VanDerWaalsContact C-N 3.25Å; S260-H262 PolarHBondContact O-N 3.26Å; H262-N265 PolarHBondContact O-N 2.9Å; H262-T266 WeakPolarHBondContact O-CG2 3.5Å; H262-T266 PolarHBondContact O-N 3.32Å; H262-T266 PolarHBondContact O-OG1 3.24Å; H262-T266 VanDerWaalsContact O-OG1 3.05Å |
| 263 | Q | 51.7 | Low | 53 | Low | 142 Ų | 142 | 101.3 Ų | 101.3 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 175.2 | -91.6 | 179.1 | -26.7 | 0 | 0 | 113.3 | T259 S260 T266 S267 | T259-Q263 PolarHBondContact O-N 3.12Å; T259-Q263 VanDerWaalsContact O-N 3.09Å; S260-Q263 PolarHBondContact O-N 3.07Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.39Å; Q263-T266 PolarHBondContact O-OG1 2.75Å; Q263-S267 PolarHBondContact O-N 3.46Å; Q263-S267 PolarHBondContact O-OG 2.81Å |
| 264 | E | 51.9 | Low | 52.7 | Low | 132 Ų | 132 | 106.2 Ų | 106.2 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.5 | -33.3 | 178.3 | -70.8 | 179.8 | 153 | 0 | 0 | 112.6 | S260 S267 L268 | S260-E264 PolarHBondContact O-N 3.1Å; S260-E264 VanDerWaalsContact O-N 3.08Å; E264-S267 WeakPolarHBondContact CA-OG 3.35Å; E264-S267 PolarHBondContact O-OG 3.34Å; E264-L268 WeakPolarHBondContact O-CG 3.43Å; E264-L268 PolarHBondContact O-N 2.76Å |
| 265 | N | 49.1 | Very low | 52.3 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.5 | -34.8 | 175.5 | -81.3 | -56.4 | 0 | 0 | 0 | 112.6 | A261 H262 S267 L268 S269 | A261-N265 PolarHBondContact O-N 3.23Å; A261-N265 PolarHBondContact O-ND2 3.12Å; H262-N265 PolarHBondContact O-N 2.9Å; N265-S267 VanDerWaalsContact C-N 3.34Å; N265-L268 PolarHBondContact O-N 3.25Å; N265-S269 PolarHBondContact O-N 3.19Å; N265-S269 PolarHBondContact O-OG 3.36Å |
| 266 | T | 53.4 | Low | 52 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.6 | -33.4 | 174.8 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | H262 Q263 S269 E270 | H262-T266 WeakPolarHBondContact O-CG2 3.5Å; H262-T266 PolarHBondContact O-N 3.32Å; H262-T266 PolarHBondContact O-OG1 3.24Å; H262-T266 VanDerWaalsContact O-OG1 3.05Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.39Å; Q263-T266 PolarHBondContact O-OG1 2.75Å; T266-S269 PolarHBondContact O-OG 2.78Å; T266-E270 WeakPolarHBondContact O-CG 3.32Å; T266-E270 PolarHBondContact O-N 3.28Å |
| 267 | S | 53.2 | Low | 51.7 | Low | 61 Ų | 61 | 118.9 Ų | 118.9 | 43% | 0.427 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -71.4 | -30.3 | 176.3 | 46.9 | 0 | 0 | 0 | 0 | 113.7 | Q263 E264 N265 E271 | Q263-S267 PolarHBondContact O-N 3.46Å; Q263-S267 PolarHBondContact O-OG 2.81Å; E264-S267 WeakPolarHBondContact CA-OG 3.35Å; E264-S267 PolarHBondContact O-OG 3.34Å; N265-S267 VanDerWaalsContact C-N 3.34Å; S267-E271 PolarHBondContact O-N 3.36Å |
| 268 | L | 50.1 | Low | 51.6 | Low | 103 Ų | 103 | 118.9 Ų | 118.9 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.2 | -36.1 | 178.1 | -72.5 | 168.8 | 0 | 0 | 0 | 112.1 | E264 N265 E271 E272 | E264-L268 WeakPolarHBondContact O-CG 3.43Å; E264-L268 PolarHBondContact O-N 2.76Å; N265-L268 PolarHBondContact O-N 3.25Å; L268-E271 PolarHBondContact O-N 2.75Å; L268-E272 PolarHBondContact O-N 3.16Å |
| 269 | S | 48.7 | Very low | 51.8 | Low | 61 Ų | 61 | 118.3 Ų | 118.3 | 43% | 0.427 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68 | -34.3 | 175.1 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | N265 T266 E271 E273 | N265-S269 PolarHBondContact O-N 3.19Å; N265-S269 PolarHBondContact O-OG 3.36Å; T266-S269 PolarHBondContact O-OG 2.78Å; S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 3.26Å; S269-E273 PolarHBondContact O-N 2.84Å |
| 270 | E | 54.3 | Low | 51.8 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76.7 | -12.9 | 178.5 | -70.7 | 179.2 | 166.3 | 0 | 0 | 113.9 | T266 R274 | T266-E270 WeakPolarHBondContact O-CG 3.32Å; T266-E270 PolarHBondContact O-N 3.28Å; E270-R274 PolarHBondContact O-NE 3.06Å; E270-R274 PolarHBondContact O-NH2 2.91Å |
| 271 | E | 54.7 | Low | 51.7 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -94.8 | -28.4 | 175.7 | -145.9 | -178.9 | 154.3 | 0 | 0 | 111.8 | S267 L268 S269 | S267-E271 PolarHBondContact O-N 3.36Å; L268-E271 PolarHBondContact O-N 2.75Å; S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 3.26Å |
| 272 | E | 54 | Low | 52 | Low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.3 | -30.3 | 172 | -80.3 | -173.5 | 131.8 | 0 | 0 | 113.4 | L268 R274 | L268-E272 PolarHBondContact O-N 3.16Å; E272-R274 PolarHBondContact O-N 3.29Å |
| 273 | E | 55 | Low | 52.2 | Low | 175 Ų | 175 | 129.3 Ų | 129.3 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -0.4 | 174.9 | -72.6 | -171.4 | 146.5 | 0 | 0 | 114.1 | S269 | S269-E273 PolarHBondContact O-N 2.84Š|
| 274 | R | 53.5 | Low | 52.2 | Low | 197 Ų | 197 | 128.3 Ų | 128.3 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 6.5 | -175.4 | -131.8 | -177.6 | -62.8 | -117.6 | -0.7 | 114.5 | E270 E272 | E270-R274 PolarHBondContact O-NE 3.06Å; E270-R274 PolarHBondContact O-NH2 2.91Å; E272-R274 PolarHBondContact O-N 3.29Å |
| 275 | K | 48.8 | Very low | 52.3 | Low | 242 Ų | 242 | 127.9 Ų | 127.9 | 100% | 1.052 | 62% | 0.62 | S | S | * | * | trans | -113.8 | 0 | 173.7 | -76.4 | -180 | 180 | 170 | 0 | 110.6 |
Retrieved 275 of 275 residues in 305.6 ms
(Link to these results)