| 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 | 43.3 | Very low | 64 | Low | 248 Ų | 248 | 146.2 Ų | 146.2 | 100% | 1.222 | 86% | 0.859 | S | S | * | * | 0 | 104.7 | 0 | -69.3 | -79 | -151.5 | 0 | 0 | 107.3 | |||||
| 2 | A | 48.7 | Very low | 65.8 | Low | 105 Ų | 105 | 150.3 Ų | 150.3 | 87% | 0.868 | 86% | 0.858 | S | S | * | * | trans | -94.9 | 123.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | A | 50.3 | Low | 67.5 | Low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 85% | 0.851 | S | S | * | * | trans | -84.5 | 113.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T5 | A3-T5 PolarHBondContact O-N 3.23Š| ||
| 4 | S | 57.9 | Low | 69.2 | Low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -67.9 | 112 | 171.3 | -78 | 0 | 0 | 0 | 0 | 110.1 | A6 | S4-A6 PolarHBondContact O-N 3.26Š| ||
| 5 | T | 60.1 | Low | 70.6 | Confident | 137 Ų | 137 | 146.9 Ų | 146.9 | 84% | 0.84 | 85% | 0.85 | S | S | * | * | trans | -78.5 | 99.1 | 168.3 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | A3 S7 | A3-T5 PolarHBondContact O-N 3.23Å; T5-S7 PolarHBondContact O-N 3.21Å | ||
| 6 | A | 61.8 | Low | 71.6 | Confident | 85 Ų | 85 | 148.8 Ų | 148.8 | 70% | 0.702 | 85% | 0.845 | S | S | * | * | trans | -69 | 108.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S4 H8 | S4-A6 PolarHBondContact O-N 3.26Å; A6-H8 PolarHBondContact O-N 3.19Å | ||
| 7 | S | 68.6 | Low | 72.4 | Confident | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -68.3 | 110.6 | 174 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | T5 R9 | T5-S7 PolarHBondContact O-N 3.21Å; S7-R9 PolarHBondContact O-N 3.48Å | ||
| 8 | H | 73.5 | Confident | 72.3 | Confident | 179 Ų | 179 | 148.5 Ų | 148.5 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.9 | 174 | -90.6 | -80.6 | 0 | 0 | 0 | 110 | A6 | A6-H8 PolarHBondContact O-N 3.19Š|
| 9 | R | 78.3 | Confident | 71.6 | Confident | 228 Ų | 228 | 146.4 Ų | 146.4 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 141.4 | 173.6 | -66.1 | -178.2 | -174.1 | -108.8 | 2.9 | 109.8 | S7 | S7-R9 PolarHBondContact O-N 3.48Š|
| 10 | P | 78.4 | Confident | 70.9 | Confident | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.2 | 177.2 | 23.6 | -31.7 | 0 | 0 | 0 | 111.5 | ||
| 11 | I | 82.9 | Confident | 70 | Confident | 171 Ų | 171 | 141.9 Ų | 141.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 126.1 | 178.3 | -58.6 | 171.9 | 0 | 0 | 0 | 108.5 | ||
| 12 | K | 85.9 | Confident | 70.4 | Confident | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 120.1 | 177.4 | -59.2 | 170.2 | -178.8 | -176.8 | 0 | 108.6 | ||
| 13 | G | 88.3 | Confident | 70.6 | Confident | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 160.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 14 | I | 90.9 | Very high | 70.7 | Confident | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -102.8 | -5 | 177.7 | 62.8 | 168.8 | 0 | 0 | 0 | 114.1 | K16 | I14-K16 PolarHBondContact O-N 2.84Å; I14-K16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | L | 90.4 | Very high | 69.7 | Low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -69.3 | 109.5 | 177.6 | -177.3 | 64.3 | 0 | 0 | 0 | 109.2 | ||||
| 16 | K | 86.6 | Confident | 69 | Low | 177 Ų | 177 | 140.5 Ų | 140.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -107 | 118.3 | 176.6 | -62.8 | 154.1 | -174.9 | 175.7 | 0 | 107.6 | I14 | I14-K16 PolarHBondContact O-N 2.84Å; I14-K16 VanDerWaalsContact O-N 3.15Å | ||
| 17 | N | 85.3 | Confident | 67.9 | Low | 87 Ų | 87 | 140.8 Ų | 140.8 | 47% | 0.465 | 78% | 0.781 | S | S | . | * | trans | -97.3 | 139.9 | 168 | 58.5 | -13.6 | 0 | 0 | 0 | 109 | T19 S20 | N17-T19 PolarHBondContact O-N 2.92Å; N17-T19 VanDerWaalsContact O-N 3.08Å; N17-S20 PolarHBondContact ND2-OG 3.4Å; N17-S20 WeakPolarHBondContact OD1-CB 3.28Å; N17-S20 PolarHBondContact OD1-OG 3.21Å | ||
| 18 | K | 69.8 | Low | 66.6 | Low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -1.5 | -177.2 | -60.2 | 174.2 | 70.8 | 173.7 | 0 | 113.3 | ||
| 19 | T | 60 | Low | 65.1 | Low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -9.8 | -172 | 55.3 | 0 | 0 | 0 | 0 | 114.8 | N17 | N17-T19 PolarHBondContact O-N 2.92Å; N17-T19 VanDerWaalsContact O-N 3.08Å |
| 20 | S | 56.5 | Low | 63.7 | Low | 74 Ų | 74 | 135 Ų | 135 | 52% | 0.517 | 78% | 0.782 | S | S | . | * | G | 310 helix | trans | -92 | -0.2 | -175.2 | -75.3 | 0 | 0 | 0 | 0 | 115.7 | N17 T22 | N17-S20 PolarHBondContact ND2-OG 3.4Å; N17-S20 WeakPolarHBondContact OD1-CB 3.28Å; N17-S20 PolarHBondContact OD1-OG 3.21Å; S20-T22 PolarHBondContact O-N 3.34Å |
| 21 | T | 53.6 | Low | 61.9 | Low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -75.2 | -5.7 | 179 | -49.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 22 | T | 50.5 | Low | 60 | Low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -100.6 | 3 | -177.9 | 60.8 | 0 | 0 | 0 | 0 | 115.4 | S20 | S20-T22 PolarHBondContact O-N 3.34Š|
| 23 | S | 53.9 | Low | 58.2 | Low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -117 | 56.1 | -179.9 | -161 | 0 | 0 | 0 | 0 | 112.6 | ||
| 24 | S | 51.8 | Low | 56 | Low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -159.7 | 125.1 | 151.3 | -154.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 25 | M | 36.7 | Very low | 54.1 | Low | 185 Ų | 185 | 133.1 Ų | 133.1 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | 85.6 | 82.7 | 179 | -53.4 | -166.9 | 168.4 | 0 | 0 | 116.4 | ||||
| 26 | V | 44.6 | Very low | 52.3 | Low | 149 Ų | 149 | 131.4 Ų | 131.4 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | trans | -69.7 | 119 | 145.2 | -75 | 0 | 0 | 0 | 0 | 109 | ||||
| 27 | A | 38.6 | Very low | 50.6 | Low | 92 Ų | 92 | 128.8 Ų | 128.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | 177.2 | 102.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 28 | S | 42.3 | Very low | 49 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | 65.6 | 126.2 | 145 | -64.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 29 | A | 42.3 | Very low | 48.1 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | trans | 94.7 | 107.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 30 | E | 48.4 | Very low | 47.9 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | 20 | 110.8 | 155 | -72.2 | 178.7 | 116.6 | 0 | 0 | 120 | ||||
| 31 | Q | 40 | Very low | 47.9 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | -156.8 | 153.3 | 141.4 | -88.4 | -42.8 | -76.2 | 0 | 0 | 110.6 | ||||
| 32 | P | 44.6 | Very low | 48.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 154.7 | -165.8 | 30.8 | -34.6 | 0 | 0 | 0 | 111.7 | G34 | P32-G34 PolarHBondContact O-N 3.13Š| ||
| 33 | R | 47.4 | Very low | 50 | Low | 254 Ų | 254 | 134.1 Ų | 134.1 | 96% | 0.958 | 75% | 0.752 | S | S | * | * | trans | -55.4 | 95.4 | 178.2 | -64.9 | 178.2 | 172.7 | -143.2 | -1.7 | 110.4 | S35 | R33-S35 PolarHBondContact O-N 3Š| ||
| 34 | G | 42.2 | Very low | 51.5 | Low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | trans | -59.8 | 122.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | P32 V36 | P32-G34 PolarHBondContact O-N 3.13Å; G34-V36 PolarHBondContact O-N 3.41Å | ||
| 35 | S | 50.3 | Low | 53.5 | Low | 72 Ų | 72 | 136.1 Ų | 136.1 | 50% | 0.503 | 75% | 0.75 | S | S | . | * | trans | -58.6 | 135.8 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | R33 D37 E38 | R33-S35 PolarHBondContact O-N 3Å; S35-D37 PolarHBondContact O-N 3.33Å; S35-E38 PolarHBondContact O-N 2.97Å; S35-E38 VanDerWaalsContact O-N 3.13Å | ||
| 36 | V | 52.1 | Low | 56.3 | Low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -5.4 | 171 | -102.9 | 0 | 0 | 0 | 0 | 113.7 | G34 | G34-V36 PolarHBondContact O-N 3.41Š|
| 37 | D | 51.7 | Low | 58.8 | Low | 121 Ų | 121 | 137.7 Ų | 137.7 | 65% | 0.647 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -25.1 | 178.5 | -158.5 | 52.7 | 0 | 0 | 0 | 112.7 | S35 E39 | S35-D37 PolarHBondContact O-N 3.33Å; D37-E39 VanDerWaalsContact C-N 3.35Å; D37-E39 PolarHBondContact O-N 2.87Å |
| 38 | E | 51.3 | Low | 61.5 | Low | 133 Ų | 133 | 138.2 Ų | 138.2 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -8.5 | -171.7 | -156.6 | 163.3 | -171.4 | 0 | 0 | 114.1 | S35 S41 | S35-E38 PolarHBondContact O-N 2.97Å; S35-E38 VanDerWaalsContact O-N 3.13Å; E38-S41 PolarHBondContact O-OG 3.44Å |
| 39 | E | 52.3 | Low | 63.9 | Low | 150 Ų | 150 | 138.1 Ų | 138.1 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -20.3 | 176.5 | -163.9 | 170.7 | -173.4 | 0 | 0 | 113.3 | D37 S41 | D37-E39 VanDerWaalsContact C-N 3.35Å; D37-E39 PolarHBondContact O-N 2.87Å; E39-S41 PolarHBondContact O-N 3.13Å |
| 40 | L | 55.3 | Low | 66.3 | Low | 129 Ų | 129 | 140.1 Ų | 140.1 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -73.4 | -16 | 177.8 | -45.2 | -179.6 | 0 | 0 | 0 | 112.1 | K42 | L40-K42 PolarHBondContact O-N 3.12Š|
| 41 | S | 56.7 | Low | 68.3 | Low | 87 Ų | 87 | 135.8 Ų | 135.8 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -83.7 | -1.9 | -171.5 | 64.1 | 0 | 0 | 0 | 0 | 115.3 | E38 E39 | E38-S41 PolarHBondContact O-OG 3.44Å; E39-S41 PolarHBondContact O-N 3.13Å |
| 42 | K | 66.1 | Low | 70.6 | Confident | 170 Ų | 170 | 130.7 Ų | 130.7 | 74% | 0.739 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -97 | -1.1 | -166.7 | -64.3 | 178.2 | -175.7 | 173.3 | 0 | 115.8 | L40 | L40-K42 PolarHBondContact O-N 3.12Š|
| 43 | K | 81.1 | Confident | 72.6 | Confident | 176 Ų | 176 | 131 Ų | 131 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | trans | -146.1 | 122.6 | 168.1 | 55.8 | 161.6 | 92.9 | -149.8 | 0 | 110.8 | ||||
| 44 | S | 85.7 | Confident | 74.4 | Confident | 109 Ų | 109 | 122.4 Ų | 122.4 | 76% | 0.762 | 64% | 0.644 | S | S | * | * | trans | -88.4 | 149 | 165.8 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 45 | Q | 94.1 | Very high | 76.4 | Confident | 147 Ų | 147 | 123.9 Ų | 123.9 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | trans | -64.9 | 135 | 167.7 | 178.7 | 174.4 | -37.7 | 0 | 0 | 108.9 | ||||
| 46 | K | 95.4 | Very high | 77.5 | Confident | 184 Ų | 184 | 127.6 Ų | 127.6 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | trans | -131.8 | 146.9 | 175.6 | -61.4 | -176.1 | 73 | -156.3 | 0 | 108.8 | ||||
| 47 | W | 96.1 | Very high | 78.1 | Confident | 184 Ų | 184 | 126.3 Ų | 126.3 | 70% | 0.697 | 63% | 0.629 | S | S | * | * | trans | -91.4 | 150.7 | 171.7 | -61.5 | 109.5 | 0 | 0 | 0 | 110.6 | ||||
| 48 | D | 96.4 | Very high | 78.6 | Confident | 103 Ų | 103 | 123 Ų | 123 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | trans | -92.4 | 93.2 | 171.6 | 179 | 8.9 | 0 | 0 | 0 | 108.6 | M50 N51 I52 | D48-M50 PolarHBondContact O-N 3.41Å; D48-M50 VanDerWaalsContact O-N 3.11Å; D48-M50 PolarHBondContact OD1-N 2.93Å; D48-N51 HydrophobicContact CB-CB 4Å; D48-N51 WeakPolarHBondContact O-CA 3.18Å; D48-N51 WeakPolarHBondContact O-CB 3.37Å; D48-N51 PolarHBondContact O-N 3.11Å; D48-I52 PolarHBondContact O-N 2.94Å; D48-I52 VanDerWaalsContact O-N 3.12Å | ||
| 49 | E | 93.5 | Very high | 78.8 | Confident | 123 Ų | 123 | 121.8 Ų | 121.8 | 58% | 0.575 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56.8 | -29.1 | -175.8 | -54 | -55.1 | 151.5 | 0 | 0 | 112.7 | I52 L53 | E49-I52 PolarHBondContact O-N 2.77Å; E49-L53 WeakPolarHBondContact O-CB 3.29Å; E49-L53 VanDerWaalsContact O-CG 3.29Å; E49-L53 WeakPolarHBondContact O-CG 3.48Å; E49-L53 PolarHBondContact O-N 2.98Å |
| 50 | M | 92 | Very high | 79 | Confident | 138 Ų | 138 | 122.2 Ų | 122.2 | 68% | 0.68 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.6 | -35.9 | 176.4 | -170.6 | 61.4 | 62.5 | 0 | 0 | 111.7 | D48 A54 | D48-M50 PolarHBondContact O-N 3.41Å; D48-M50 VanDerWaalsContact O-N 3.11Å; D48-M50 PolarHBondContact OD1-N 2.93Å; M50-A54 VanDerWaalsContact O-CB 3.28Å; M50-A54 WeakPolarHBondContact O-CB 3.24Å; M50-A54 PolarHBondContact O-N 2.78Å |
| 51 | N | 89.9 | Confident | 79.3 | Confident | 90 Ų | 90 | 121.3 Ų | 121.3 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.4 | -38.8 | 174.4 | -179.6 | -104.8 | 0 | 0 | 0 | 111.9 | D48 A54 T55 | D48-N51 HydrophobicContact CB-CB 4Å; D48-N51 WeakPolarHBondContact O-CA 3.18Å; D48-N51 WeakPolarHBondContact O-CB 3.37Å; D48-N51 PolarHBondContact O-N 3.11Å; N51-A54 PolarHBondContact O-N 2.95Å; N51-T55 PolarHBondContact O-N 3.44Å; N51-T55 PolarHBondContact O-OG1 3.31Å |
| 52 | I | 89.2 | Confident | 79.4 | Confident | 71 Ų | 71 | 122.2 Ų | 122.2 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.4 | -52 | 174.8 | -55.9 | -54.2 | 0 | 0 | 0 | 109.6 | D48 E49 A54 T55 Y56 | D48-I52 PolarHBondContact O-N 2.94Å; D48-I52 VanDerWaalsContact O-N 3.12Å; E49-I52 PolarHBondContact O-N 2.77Å; I52-A54 VanDerWaalsContact C-N 3.32Å; I52-A54 PolarHBondContact O-N 2.85Å; I52-T55 PolarHBondContact O-N 3.29Å; I52-T55 VanDerWaalsContact O-N 3.13Å; I52-T55 PolarHBondContact O-OG1 3.33Å; I52-T55 VanDerWaalsContact O-OG1 3.13Å; I52-Y56 WeakPolarHBondContact O-CB 3.49Å; I52-Y56 PolarHBondContact O-N 3.18Å |
| 53 | L | 85.7 | Confident | 79 | Confident | 113 Ų | 113 | 119.5 Ų | 119.5 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60 | -38.6 | 177.8 | -70.5 | 170.5 | 0 | 0 | 0 | 113.1 | E49 T55 Y56 | E49-L53 WeakPolarHBondContact O-CB 3.29Å; E49-L53 VanDerWaalsContact O-CG 3.29Å; E49-L53 WeakPolarHBondContact O-CG 3.48Å; E49-L53 PolarHBondContact O-N 2.98Å; L53-T55 PolarHBondContact O-N 3.48Å; L53-Y56 PolarHBondContact O-N 3.15Å |
| 54 | A | 85.1 | Confident | 78 | Confident | 73 Ų | 73 | 113.2 Ų | 113.2 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.8 | -25.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | M50 N51 I52 | M50-A54 VanDerWaalsContact O-CB 3.28Å; M50-A54 WeakPolarHBondContact O-CB 3.24Å; M50-A54 PolarHBondContact O-N 2.78Å; N51-A54 PolarHBondContact O-N 2.95Å; I52-A54 VanDerWaalsContact C-N 3.32Å; I52-A54 PolarHBondContact O-N 2.85Å |
| 55 | T | 84.1 | Confident | 76.6 | Confident | 94 Ų | 94 | 112.5 Ų | 112.5 | 58% | 0.577 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -100.3 | -16.6 | 179.2 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | N51 I52 L53 H57 | N51-T55 PolarHBondContact O-N 3.44Å; N51-T55 PolarHBondContact O-OG1 3.31Å; I52-T55 PolarHBondContact O-N 3.29Å; I52-T55 VanDerWaalsContact O-N 3.13Å; I52-T55 PolarHBondContact O-OG1 3.33Å; I52-T55 VanDerWaalsContact O-OG1 3.13Å; L53-T55 PolarHBondContact O-N 3.48Å; T55-H57 PolarHBondContact O-N 3.15Å |
| 56 | Y | 73.4 | Confident | 75 | Confident | 151 Ų | 151 | 112.8 Ų | 112.8 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -84.3 | 107.2 | 176.9 | -168.7 | -107.6 | 0 | 0 | 0 | 110.3 | I52 L53 | I52-Y56 WeakPolarHBondContact O-CB 3.49Å; I52-Y56 PolarHBondContact O-N 3.18Å; L53-Y56 PolarHBondContact O-N 3.15Å |
| 57 | H | 65.4 | Low | 73.6 | Confident | 106 Ų | 106 | 113.4 Ų | 113.4 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 55.3 | 76.1 | -177.4 | -52.2 | 121.8 | 0 | 0 | 0 | 115.1 | T55 A59 | T55-H57 PolarHBondContact O-N 3.15Å; H57-A59 PolarHBondContact O-N 3.35Å |
| 58 | P | 62.3 | Low | 72.1 | Confident | 52 Ų | 52 | 110.6 Ų | 110.6 | 34% | 0.338 | 58% | 0.584 | S | S | . | * | trans | -54.8 | 136.5 | 174.2 | -19.5 | 30.4 | 0 | 0 | 0 | 111 | D60 K61 | P58-D60 PolarHBondContact O-N 3.46Å; P58-K61 PolarHBondContact O-N 3.28Å | ||
| 59 | A | 55.4 | Low | 70.7 | Confident | 107 Ų | 107 | 113.5 Ų | 113.5 | 88% | 0.884 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -24.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H57 K61 | H57-A59 PolarHBondContact O-N 3.35Å; A59-K61 VanDerWaalsContact C-N 3.33Å |
| 60 | D | 57.1 | Low | 69.9 | Low | 159 Ų | 159 | 114.3 Ų | 114.3 | 85% | 0.85 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 4.1 | 179.7 | -55.7 | -29.1 | 0 | 0 | 0 | 113.6 | P58 | P58-D60 PolarHBondContact O-N 3.46Š|
| 61 | K | 59.8 | Low | 69.1 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 48% | 0.483 | 61% | 0.606 | S | S | . | * | trans | -134.7 | 77.8 | -174.8 | -61.9 | -174.7 | -173.6 | 175.2 | 0 | 110.5 | P58 A59 Y63 | P58-K61 PolarHBondContact O-N 3.28Å; A59-K61 VanDerWaalsContact C-N 3.33Å; K61-Y63 HydrophobicContact CB-CD2 4.19Å; K61-Y63 HydrophobicContact CB-CE2 3.82Å; K61-Y63 HydrophobicContact CD-CE1 4.33Å; K61-Y63 HydrophobicContact CD-CE2 4.26Å; K61-Y63 WeakPolarHBondContact CD-OH 3.24Å; K61-Y63 PolarHBondContact O-N 2.96Å | ||
| 62 | D | 58.9 | Low | 68.3 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 56% | 0.561 | 62% | 0.616 | S | S | * | * | trans | -76.5 | 97.5 | 153.6 | -176.7 | 15 | 0 | 0 | 0 | 107.2 | G64 L65 | D62-G64 PolarHBondContact O-N 3.39Å; D62-L65 WeakPolarHBondContact OD1-CB 3.34Å; D62-L65 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 63 | Y | 58.7 | Low | 67.4 | Low | 114 Ų | 114 | 114.5 Ų | 114.5 | 45% | 0.447 | 63% | 0.625 | S | S | . | * | trans | -69.8 | 83.2 | -178.5 | -71.7 | -81 | 0 | 0 | 0 | 109.7 | K61 | K61-Y63 HydrophobicContact CB-CD2 4.19Å; K61-Y63 HydrophobicContact CB-CE2 3.82Å; K61-Y63 HydrophobicContact CD-CE1 4.33Å; K61-Y63 HydrophobicContact CD-CE2 4.26Å; K61-Y63 WeakPolarHBondContact CD-OH 3.24Å; K61-Y63 PolarHBondContact O-N 2.96Å | ||
| 64 | G | 60.5 | Low | 67.3 | Low | 44 Ų | 44 | 115.1 Ų | 115.1 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | S | Bend | trans | 96.2 | -1.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | D62 M66 | D62-G64 PolarHBondContact O-N 3.39Å; G64-M66 VanDerWaalsContact C-N 3.33Å; G64-M66 PolarHBondContact O-N 3.13Å |
| 65 | L | 54.9 | Low | 66.2 | Low | 93 Ų | 93 | 122.1 Ų | 122.1 | 49% | 0.487 | 65% | 0.648 | S | S | . | * | trans | -89.5 | 15.6 | 178.1 | -102.7 | 84.6 | 0 | 0 | 0 | 115 | D62 K67 | D62-L65 WeakPolarHBondContact OD1-CB 3.34Å; D62-L65 WeakPolarHBondContact OD2-CB 3.39Å; L65-K67 PolarHBondContact O-N 2.84Å | ||
| 66 | M | 61.1 | Low | 65.1 | Low | 153 Ų | 153 | 123.5 Ų | 123.5 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | -63.7 | 102.5 | 169.5 | -97.4 | -172.6 | 65.1 | 0 | 0 | 109.9 | G64 I68 | G64-M66 VanDerWaalsContact C-N 3.33Å; G64-M66 PolarHBondContact O-N 3.13Å; M66-I68 VanDerWaalsContact C-N 3.34Å; M66-I68 PolarHBondContact O-N 2.68Å | ||
| 67 | K | 66.3 | Low | 64 | Low | 198 Ų | 198 | 120.4 Ų | 120.4 | 86% | 0.861 | 65% | 0.649 | S | S | * | * | trans | -64.8 | 99.1 | 160.3 | -52.5 | -65.3 | -81.9 | -173.2 | 0 | 106.1 | L65 D69 | L65-K67 PolarHBondContact O-N 2.84Å; K67-D69 PolarHBondContact O-N 3.24Å | ||
| 68 | I | 65.2 | Low | 63.3 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | -64.2 | 126.5 | 167 | -40.6 | 173.4 | 0 | 0 | 0 | 104.9 | M66 E70 | M66-I68 VanDerWaalsContact C-N 3.34Å; M66-I68 PolarHBondContact O-N 2.68Å; I68-E70 HydrophobicContact CB-CG 4.45Å; I68-E70 PolarHBondContact O-N 3.08Å | ||
| 69 | D | 66.8 | Low | 62.6 | Low | 164 Ų | 164 | 128.5 Ų | 128.5 | 88% | 0.877 | 69% | 0.686 | S | S | * | * | trans | -73.6 | 72.7 | 177.3 | -153.1 | 13.1 | 0 | 0 | 0 | 107.8 | K67 | K67-D69 PolarHBondContact O-N 3.24Š| ||
| 70 | E | 76.1 | Confident | 62 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | trans | -63.4 | 129.2 | 173 | -68.5 | -174.6 | -175 | 0 | 0 | 107.2 | I68 S72 | I68-E70 HydrophobicContact CB-CG 4.45Å; I68-E70 PolarHBondContact O-N 3.08Å; E70-S72 PolarHBondContact O-N 3.5Å | ||
| 71 | P | 75.1 | Confident | 61.9 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -55.2 | 130.4 | 177.9 | 23.1 | -32.4 | 0 | 0 | 0 | 108.7 | T73 | P71-T73 PolarHBondContact O-N 2.99Š| ||
| 72 | S | 74.4 | Confident | 61.2 | Low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | -45 | 112.4 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 110 | E70 | E70-S72 PolarHBondContact O-N 3.5Š| ||
| 73 | T | 70.2 | Confident | 60.8 | Low | 91 Ų | 91 | 130.4 Ų | 130.4 | 56% | 0.558 | 70% | 0.697 | S | S | * | * | trans | -64.4 | 134.3 | 173.7 | 59.9 | 0 | 0 | 0 | 0 | 107 | P71 Y75 H76 | P71-T73 PolarHBondContact O-N 2.99Å; T73-Y75 PolarHBondContact O-N 3.03Å; T73-H76 PolarHBondContact O-N 3.19Å | ||
| 74 | P | 81.7 | Confident | 60.1 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 5.4 | -170.7 | -29.5 | 35.5 | 0 | 0 | 0 | 118 | ||
| 75 | Y | 62.2 | Low | 59.6 | Low | 221 Ų | 221 | 135.1 Ų | 135.1 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 12.1 | -179 | -69 | -78.9 | 0 | 0 | 0 | 114.6 | T73 S77 | T73-Y75 PolarHBondContact O-N 3.03Å; Y75-S77 PolarHBondContact O-N 2.8Å; Y75-S77 VanDerWaalsContact O-N 3.08Å |
| 76 | H | 61 | Low | 59 | Low | 122 Ų | 122 | 136.7 Ų | 136.7 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | trans | -81.5 | 88.5 | 176.3 | -163.8 | 55.7 | 0 | 0 | 0 | 112.2 | T73 M78 | T73-H76 PolarHBondContact O-N 3.19Å; H76-M78 WeakPolarHBondContact CD2-CE 3.32Å; H76-M78 VanDerWaalsContact CD2-SD 3.53Å; H76-M78 WeakPolarHBondContact NE2-CE 3.17Å; H76-M78 PolarHBondContact NE2-SD 3.08Å | ||
| 77 | S | 50.4 | Low | 58.2 | Low | 87 Ų | 87 | 134.6 Ų | 134.6 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -88.8 | 106.6 | 171.2 | 167.7 | 0 | 0 | 0 | 0 | 109.9 | Y75 M79 | Y75-S77 PolarHBondContact O-N 2.8Å; Y75-S77 VanDerWaalsContact O-N 3.08Å; S77-M79 PolarHBondContact O-N 3.46Å | ||
| 78 | M | 51.7 | Low | 56.8 | Low | 153 Ų | 153 | 131.9 Ų | 131.9 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | trans | -66.5 | 93.6 | 165.9 | -44.4 | -69.7 | -169.8 | 0 | 0 | 108.9 | H76 | H76-M78 WeakPolarHBondContact CD2-CE 3.32Å; H76-M78 VanDerWaalsContact CD2-SD 3.53Å; H76-M78 WeakPolarHBondContact NE2-CE 3.17Å; H76-M78 PolarHBondContact NE2-SD 3.08Å | ||
| 79 | M | 47.4 | Very low | 55.9 | Low | 175 Ų | 175 | 130.9 Ų | 130.9 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | -99.7 | 129.8 | 152.7 | -67.5 | -79 | -162 | 0 | 0 | 104.4 | S77 | S77-M79 PolarHBondContact O-N 3.46Š| ||
| 80 | G | 43.2 | Very low | 54.7 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | cis | -170.7 | 153.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | D82 | G80-D82 PolarHBondContact O-N 2.88Š| ||
| 81 | D | 55.1 | Low | 53.1 | Low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -72.8 | 111.7 | 172.8 | -175.6 | 35.8 | 0 | 0 | 0 | 109.2 | ||||
| 82 | D | 44 | Very low | 51.9 | Low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -147 | 116 | 155.3 | 63 | 14.3 | 0 | 0 | 0 | 108.5 | G80 | G80-D82 PolarHBondContact O-N 2.88Š| ||
| 83 | E | 51.5 | Low | 50.9 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | 50.5 | 91.2 | 77.4 | -58.2 | -69.8 | -177.9 | 0 | 0 | 112 | |||||
| 84 | D | 43.4 | Very low | 50.2 | Low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -176.1 | 126.3 | 120.5 | -93.5 | -32.2 | 0 | 0 | 0 | 113.5 | |||||
| 85 | A | 50.5 | Low | 49.3 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -67.4 | 133 | 165 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 86 | C | 42.8 | Very low | 50 | Low | 125 Ų | 125 | 127.3 Ų | 127.3 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -134.1 | 79.4 | 156.4 | -156.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 87 | S | 44.5 | Very low | 50.7 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -77.5 | 154.8 | 151.5 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 88 | D | 36.5 | Very low | 52 | Low | 140 Ų | 140 | 128 Ų | 128 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | 88.5 | 129.4 | 171.3 | -124.1 | 16.4 | 0 | 0 | 0 | 113.3 | ||||
| 89 | T | 46.2 | Very low | 53.5 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | cis | -161.5 | 119.8 | 28 | 43.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 90 | E | 40.6 | Very low | 55.1 | Low | 193 Ų | 193 | 119.9 Ų | 119.9 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -101.2 | 99.4 | 157.9 | -165.7 | 171.2 | 130.7 | 0 | 0 | 107.8 | T92 | E90-T92 PolarHBondContact O-N 3.32Å; E90-T92 VanDerWaalsContact O-N 3.16Å | ||
| 91 | T | 42.5 | Very low | 57.1 | Low | 115 Ų | 115 | 119.5 Ų | 119.5 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -45.2 | 115.5 | 171 | 22.3 | 0 | 0 | 0 | 0 | 110.9 | E93 | T91-E93 PolarHBondContact O-N 3.36Š| ||
| 92 | T | 50.5 | Low | 58.4 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 91% | 0.908 | 69% | 0.689 | S | S | * | * | trans | -63.6 | 79.3 | 160.1 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | E90 A94 | E90-T92 PolarHBondContact O-N 3.32Å; E90-T92 VanDerWaalsContact O-N 3.16Å; T92-A94 PolarHBondContact O-N 2.99Å | ||
| 93 | E | 53.4 | Low | 60.3 | Low | 165 Ų | 165 | 118.9 Ų | 118.9 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | trans | -77.6 | 112.5 | 172.7 | -161.9 | -179.2 | -165 | 0 | 0 | 108 | T91 M95 | T91-E93 PolarHBondContact O-N 3.36Å; E93-M95 PolarHBondContact O-N 3.06Å | ||
| 94 | A | 56.1 | Low | 61.7 | Low | 93 Ų | 93 | 117.2 Ų | 117.2 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -59.5 | 112.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | T92 A96 | T92-A94 PolarHBondContact O-N 2.99Å; A94-A96 PolarHBondContact O-N 3.02Å | ||
| 95 | M | 61.2 | Low | 63.7 | Low | 123 Ų | 123 | 112.6 Ų | 112.6 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | trans | -63.4 | 100.2 | 177.8 | -75.8 | -174.4 | 150.1 | 0 | 0 | 110.7 | E93 L100 | E93-M95 PolarHBondContact O-N 3.06Å; M95-L100 HydrophobicContact CB-CD1 4.23Å | ||
| 96 | A | 78.4 | Confident | 65.1 | Low | 41 Ų | 41 | 111.7 Ų | 111.7 | 34% | 0.339 | 65% | 0.65 | S | S | . | * | trans | -63.8 | 144 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | A94 D98 I99 L100 | A94-A96 PolarHBondContact O-N 3.02Å; A96-D98 PolarHBondContact O-N 3.25Å; A96-D98 VanDerWaalsContact O-N 3.14Å; A96-I99 HydrophobicContact CB-CD1 4Å; A96-I99 HydrophobicContact CB-CG1 4.17Å; A96-I99 WeakPolarHBondContact O-CB 3.4Å; A96-I99 PolarHBondContact O-N 2.83Å; A96-L100 PolarHBondContact O-N 3.16Å | ||
| 97 | P | 75.1 | Confident | 66.5 | Low | 101 Ų | 101 | 108.2 Ų | 108.2 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58.6 | -30.3 | -176 | 19.5 | -30.6 | 0 | 0 | 0 | 113.5 | I99 L100 A101 | P97-I99 VanDerWaalsContact C-N 3.33Å; P97-I99 PolarHBondContact O-N 3.02Å; P97-L100 WeakPolarHBondContact O-CB 3.39Å; P97-L100 PolarHBondContact O-N 3.42Å; P97-A101 PolarHBondContact O-N 2.95Å |
| 98 | D | 78.6 | Confident | 68 | Low | 124 Ų | 124 | 111.1 Ų | 111.1 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.6 | -30.8 | 177.4 | -62 | -17 | 0 | 0 | 0 | 112.8 | A96 K102 | A96-D98 PolarHBondContact O-N 3.25Å; A96-D98 VanDerWaalsContact O-N 3.14Å; D98-K102 PolarHBondContact O-N 3.15Å; D98-K102 VanDerWaalsContact O-N 3.11Å |
| 99 | I | 82.3 | Confident | 69.3 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 40% | 0.395 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.1 | -38.8 | 174.8 | -56.9 | 174 | 0 | 0 | 0 | 109.3 | A96 P97 K102 K103 | A96-I99 HydrophobicContact CB-CD1 4Å; A96-I99 HydrophobicContact CB-CG1 4.17Å; A96-I99 WeakPolarHBondContact O-CB 3.4Å; A96-I99 PolarHBondContact O-N 2.83Å; P97-I99 VanDerWaalsContact C-N 3.33Å; P97-I99 PolarHBondContact O-N 3.02Å; I99-K102 PolarHBondContact O-N 3.05Å; I99-K103 HydrophobicContact CG2-CD 4.49Å; I99-K103 WeakPolarHBondContact O-CG 3.45Å; I99-K103 PolarHBondContact O-N 3.42Å |
| 100 | L | 81.3 | Confident | 70.3 | Confident | 80 Ų | 80 | 109.5 Ų | 109.5 | 42% | 0.419 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.9 | -46.8 | 174.1 | -108.6 | 143.8 | 0 | 0 | 0 | 111.7 | M95 A96 P97 K102 K103 L104 | M95-L100 HydrophobicContact CB-CD1 4.23Å; A96-L100 PolarHBondContact O-N 3.16Å; P97-L100 WeakPolarHBondContact O-CB 3.39Å; P97-L100 PolarHBondContact O-N 3.42Å; L100-K102 PolarHBondContact O-N 2.94Å; L100-K103 PolarHBondContact O-N 3.39Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.45Å |
| 101 | A | 84.5 | Confident | 71.4 | Confident | 58 Ų | 58 | 108.3 Ų | 108.3 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.8 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P97 K103 L104 A105 | P97-A101 PolarHBondContact O-N 2.95Å; A101-K103 VanDerWaalsContact C-N 3.35Å; A101-K103 PolarHBondContact O-N 2.9Å; A101-L104 PolarHBondContact O-N 3.3Å; A101-A105 WeakPolarHBondContact O-CB 3.32Å; A101-A105 PolarHBondContact O-N 3.36Å |
| 102 | K | 83.6 | Confident | 72.3 | Confident | 166 Ų | 166 | 107.8 Ų | 107.8 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.2 | -39.7 | 174.3 | -82.9 | 178.8 | 177.3 | 174.5 | 0 | 112.7 | D98 I99 L100 A106 | D98-K102 PolarHBondContact O-N 3.15Å; D98-K102 VanDerWaalsContact O-N 3.11Å; I99-K102 PolarHBondContact O-N 3.05Å; L100-K102 PolarHBondContact O-N 2.94Å; K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 2.95Å |
| 103 | K | 82.8 | Confident | 72.5 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 54% | 0.535 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.5 | -40.5 | 177 | -77 | -179.9 | 170.9 | -175.7 | 0 | 112.1 | I99 L100 A101 A106 A107 | I99-K103 HydrophobicContact CG2-CD 4.49Å; I99-K103 WeakPolarHBondContact O-CG 3.45Å; I99-K103 PolarHBondContact O-N 3.42Å; L100-K103 PolarHBondContact O-N 3.39Å; A101-K103 VanDerWaalsContact C-N 3.35Å; A101-K103 PolarHBondContact O-N 2.9Å; K103-A106 PolarHBondContact O-N 3.24Å; K103-A107 PolarHBondContact O-N 3.25Å; K103-A107 VanDerWaalsContact O-N 3.14Å |
| 104 | L | 82 | Confident | 72.5 | Confident | 118 Ų | 118 | 109.1 Ų | 109.1 | 62% | 0.618 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.4 | -45.8 | 176.4 | -70 | 173 | 0 | 0 | 0 | 111.7 | L100 A101 A106 A107 E108 | L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.45Å; A101-L104 PolarHBondContact O-N 3.3Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.49Å; L104-A107 PolarHBondContact O-N 2.78Å; L104-A107 VanDerWaalsContact O-N 3.08Å; L104-E108 PolarHBondContact O-N 2.86Å; L104-E108 VanDerWaalsContact O-N 3.11Å |
| 105 | A | 84.8 | Confident | 72.1 | Confident | 63 Ų | 63 | 114.9 Ų | 114.9 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.6 | -34.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A101 A107 | A101-A105 WeakPolarHBondContact O-CB 3.32Å; A101-A105 PolarHBondContact O-N 3.36Å; A105-A107 VanDerWaalsContact C-N 3.31Å; A105-A107 PolarHBondContact O-N 3.4Å |
| 106 | A | 79.6 | Confident | 71.3 | Confident | 79 Ų | 79 | 112.9 Ų | 112.9 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.7 | -25.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K102 K103 L104 | K102-A106 WeakPolarHBondContact O-CB 3.45Å; K102-A106 PolarHBondContact O-N 2.95Å; K103-A106 PolarHBondContact O-N 3.24Å; L104-A106 VanDerWaalsContact C-N 3.29Å; L104-A106 PolarHBondContact O-N 3.49Å |
| 107 | A | 73.1 | Confident | 69.5 | Low | 52 Ų | 52 | 117.4 Ų | 117.4 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -88.2 | -14.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K103 L104 A105 G109 L110 | K103-A107 PolarHBondContact O-N 3.25Å; K103-A107 VanDerWaalsContact O-N 3.14Å; L104-A107 PolarHBondContact O-N 2.78Å; L104-A107 VanDerWaalsContact O-N 3.08Å; A105-A107 VanDerWaalsContact C-N 3.31Å; A105-A107 PolarHBondContact O-N 3.4Å; A107-G109 PolarHBondContact O-N 2.7Å; A107-L110 PolarHBondContact O-N 3.03Å; A107-L110 VanDerWaalsContact O-N 3.14Å |
| 108 | E | 74.1 | Confident | 68.3 | Low | 171 Ų | 171 | 121.9 Ų | 121.9 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -2 | -174.7 | -164.6 | 170.9 | -177.1 | 0 | 0 | 114.8 | L104 | L104-E108 PolarHBondContact O-N 2.86Å; L104-E108 VanDerWaalsContact O-N 3.11Å |
| 109 | G | 65.7 | Low | 66.7 | Low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 2.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | A107 | A107-G109 PolarHBondContact O-N 2.7Š|
| 110 | L | 66.5 | Low | 64.6 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -91.8 | 116.7 | 177.5 | -63.7 | 176 | 0 | 0 | 0 | 108.4 | A107 | A107-L110 PolarHBondContact O-N 3.03Å; A107-L110 VanDerWaalsContact O-N 3.14Å |
| 111 | E | 62.7 | Low | 63 | Low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 141.8 | 171.2 | -77.2 | -136.2 | 129 | 0 | 0 | 109.8 | K113 | E111-K113 PolarHBondContact O-N 2.91Š|
| 112 | P | 61.2 | Low | 61.3 | Low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 122.1 | 176.9 | -24.9 | 32.7 | 0 | 0 | 0 | 110.1 | Y114 | P112-Y114 PolarHBondContact O-N 3.03Š|
| 113 | K | 56.6 | Low | 59.3 | Low | 154 Ų | 154 | 120 Ų | 120 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -55.4 | 6.5 | 177.3 | -88.3 | 179.3 | 170.6 | -172.4 | 0 | 115.3 | E111 R115 I116 | E111-K113 PolarHBondContact O-N 2.91Å; K113-R115 PolarHBondContact O-N 2.79Å; K113-R115 VanDerWaalsContact O-N 3.13Å; K113-I116 PolarHBondContact O-N 3.06Å |
| 114 | Y | 52.6 | Low | 57.6 | Low | 186 Ų | 186 | 122.5 Ų | 122.5 | 73% | 0.729 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -52.8 | -31.6 | 174.4 | 138.9 | -105 | 0 | 0 | 0 | 112.5 | P112 I116 | P112-Y114 PolarHBondContact O-N 3.03Å; Y114-I116 VanDerWaalsContact C-N 3.33Å; Y114-I116 PolarHBondContact O-N 2.94Å |
| 115 | R | 48.6 | Very low | 56.1 | Low | 215 Ų | 215 | 124.1 Ų | 124.1 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -79.8 | -9.8 | 179.7 | -150.4 | 169.9 | -159.1 | 171.4 | 5 | 115 | K113 | K113-R115 PolarHBondContact O-N 2.79Å; K113-R115 VanDerWaalsContact O-N 3.13Å |
| 116 | I | 43.9 | Very low | 54.4 | Low | 81 Ų | 81 | 121.6 Ų | 121.6 | 42% | 0.415 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.8 | -7.1 | -179.8 | -42.8 | -179.1 | 0 | 0 | 0 | 111 | K113 Y114 E118 Q119 E120 | K113-I116 PolarHBondContact O-N 3.06Å; Y114-I116 VanDerWaalsContact C-N 3.33Å; Y114-I116 PolarHBondContact O-N 2.94Å; I116-E118 PolarHBondContact O-N 3.29Å; I116-E118 VanDerWaalsContact O-N 3.13Å; I116-Q119 PolarHBondContact O-N 2.89Å; I116-E120 WeakPolarHBondContact CB-OE1 3.4Å; I116-E120 HydrophobicContact CG2-CG 4.17Å; I116-E120 WeakPolarHBondContact CG2-OE1 3.27Å; I116-E120 WeakPolarHBondContact O-CG 3.42Å; I116-E120 PolarHBondContact O-N 3.28Å |
| 117 | Q | 40.6 | Very low | 53.3 | Low | 136 Ų | 136 | 121.7 Ų | 121.7 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -23 | -175.7 | -161.9 | 167.4 | 25.2 | 0 | 0 | 114.3 | Q119 S121 | Q117-Q119 VanDerWaalsContact C-N 3.26Å; Q117-Q119 PolarHBondContact O-N 3.5Å; Q117-S121 PolarHBondContact O-N 2.89Å |
| 118 | E | 49.6 | Very low | 52.8 | Low | 195 Ų | 195 | 126.6 Ų | 126.6 | 91% | 0.911 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.1 | -20.1 | 175 | -64.9 | -169.4 | 173.4 | 0 | 0 | 113.2 | I116 | I116-E118 PolarHBondContact O-N 3.29Å; I116-E118 VanDerWaalsContact O-N 3.13Å |
| 119 | Q | 45.2 | Very low | 52.4 | Low | 176 Ų | 176 | 121.3 Ų | 121.3 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -99.1 | -19.2 | -177.4 | -161.5 | 172 | -34.1 | 0 | 0 | 113.3 | I116 Q117 | I116-Q119 PolarHBondContact O-N 2.89Å; Q117-Q119 VanDerWaalsContact C-N 3.26Å; Q117-Q119 PolarHBondContact O-N 3.5Å |
| 120 | E | 38.7 | Very low | 53 | Low | 104 Ų | 104 | 119.5 Ų | 119.5 | 49% | 0.486 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -113.6 | -1.3 | -175.7 | 28.9 | -178.8 | 115.5 | 0 | 0 | 114.4 | I116 S122 G123 | I116-E120 WeakPolarHBondContact CB-OE1 3.4Å; I116-E120 HydrophobicContact CG2-CG 4.17Å; I116-E120 WeakPolarHBondContact CG2-OE1 3.27Å; I116-E120 WeakPolarHBondContact O-CG 3.42Å; I116-E120 PolarHBondContact O-N 3.28Å; E120-S122 PolarHBondContact O-N 3.43Å; E120-G123 PolarHBondContact O-N 2.71Å |
| 121 | S | 46.5 | Very low | 53.7 | Low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -3.5 | 172.8 | -170.6 | 0 | 0 | 0 | 0 | 114.3 | Q117 | Q117-S121 PolarHBondContact O-N 2.89Š|
| 122 | S | 49.1 | Very low | 54.4 | Low | 48 Ų | 48 | 116 Ų | 116 | 34% | 0.336 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -1.5 | 173.9 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | E120 D126 | E120-S122 PolarHBondContact O-N 3.43Å; S122-D126 WeakPolarHBondContact O-CB 3.47Å |
| 123 | G | 42.3 | Very low | 55.3 | Low | 39 Ų | 39 | 113.7 Ų | 113.7 | 40% | 0.402 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -80.7 | -41.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E120 S127 | E120-G123 PolarHBondContact O-N 2.71Å; G123-S127 PolarHBondContact O-OG 3.1Å; G123-S127 VanDerWaalsContact O-OG 3.05Å |
| 124 | E | 46.2 | Very low | 56.6 | Low | 176 Ų | 176 | 111.2 Ų | 111.2 | 82% | 0.822 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -87.4 | -47.9 | -164.6 | -167.6 | 160.6 | -174.2 | 0 | 0 | 113.3 | D126 | E124-D126 PolarHBondContact O-N 2.66Š|
| 125 | E | 50.1 | Low | 58.2 | Low | 152 Ų | 152 | 105.9 Ų | 105.9 | 71% | 0.71 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10 | 179.1 | -68.5 | -172.7 | 158.6 | 0 | 0 | 114.8 | ||
| 126 | D | 50.6 | Low | 60.1 | Low | 9 Ų | 9 | 101.9 Ų | 101.9 | 5% | 0.048 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -4.2 | -172.3 | -151.4 | 37.5 | 0 | 0 | 0 | 111.1 | S122 E124 L129 R134 | S122-D126 WeakPolarHBondContact O-CB 3.47Å; E124-D126 PolarHBondContact O-N 2.66Å; D126-L129 WeakPolarHBondContact OD1-CD1 3.47Å; D126-R134 VanDerWaalsContact CG-NE 3.31Å; D126-R134 PolarHBondContact O-NH1 3.18Å; D126-R134 IonicContact OD1-NE 3.96Å; D126-R134 WeakPolarHBondContact OD2-CG 3.31Å; D126-R134 IonicContact OD2-CZ 3.19Å; D126-R134 IonicContact OD2-NE 2.7Å; D126-R134 PolarHBondContact OD2-NE 3.34Å; D126-R134 IonicContact OD2-NH2 3.03Å; D126-R134 PolarHBondContact OD2-NH2 2.97Å |
| 127 | S | 56.3 | Low | 62.1 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -79.1 | -27.4 | 178.3 | -63.6 | 0 | 0 | 0 | 0 | 113 | G123 | G123-S127 PolarHBondContact O-OG 3.1Å; G123-S127 VanDerWaalsContact O-OG 3.05Å |
| 128 | D | 61.9 | Low | 64.5 | Low | 156 Ų | 156 | 101.2 Ų | 101.2 | 83% | 0.834 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -90.3 | -4.6 | 177.5 | -66 | -26.9 | 0 | 0 | 0 | 113.1 | ||
| 129 | L | 65.8 | Low | 66.7 | Low | 59 Ų | 59 | 95.8 Ų | 95.8 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -85.7 | 145.8 | -178.5 | -65 | -176.8 | 0 | 0 | 0 | 111.9 | D126 E133 K137 | D126-L129 WeakPolarHBondContact OD1-CD1 3.47Å; L129-E133 HydrophobicContact CB-CB 4.27Å; L129-K137 HydrophobicContact CD1-CD 4.2Å |
| 130 | S | 79.1 | Confident | 69 | Low | 35 Ų | 35 | 93.3 Ų | 93.3 | 25% | 0.245 | 48% | 0.477 | C | S | . | . | trans | -58.1 | 147 | 168.7 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | E132 E133 R134 | S130-E132 PolarHBondContact O-N 2.96Å; S130-E133 WeakPolarHBondContact CB-OE2 3.38Å; S130-E133 PolarHBondContact N-OE2 3.37Å; S130-E133 PolarHBondContact O-N 3.26Å; S130-R134 PolarHBondContact O-N 2.86Å | ||
| 131 | P | 80.2 | Confident | 71.7 | Confident | 113 Ų | 113 | 91.6 Ų | 91.6 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -54 | -29.8 | 176.3 | 21.3 | -34.2 | 0 | 0 | 0 | 113.4 | E135 | P131-E135 PolarHBondContact O-N 2.96Å |
| 132 | E | 77.9 | Confident | 74.1 | Confident | 118 Ų | 118 | 92.4 Ų | 92.4 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.3 | -41.7 | 176.3 | -174.5 | 175.8 | 173.3 | 0 | 0 | 112.7 | S130 R134 E135 K136 | S130-E132 PolarHBondContact O-N 2.96Å; E132-R134 VanDerWaalsContact C-N 3.34Å; E132-E135 PolarHBondContact O-N 3.1Å; E132-K136 PolarHBondContact O-N 2.99Å |
| 133 | E | 80.4 | Confident | 76.4 | Confident | 57 Ų | 57 | 97.5 Ų | 97.5 | 27% | 0.266 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 179.1 | -66.1 | 175.8 | 129.6 | 0 | 0 | 111.4 | L129 S130 E135 K136 K137 | L129-E133 HydrophobicContact CB-CB 4.27Å; S130-E133 WeakPolarHBondContact CB-OE2 3.38Å; S130-E133 PolarHBondContact N-OE2 3.37Å; S130-E133 PolarHBondContact O-N 3.26Å; E133-E135 PolarHBondContact O-N 3.3Å; E133-K136 PolarHBondContact O-N 3.26Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 PolarHBondContact O-N 3.48Å |
| 134 | R | 83.3 | Confident | 79 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 38% | 0.381 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 173.5 | -173.8 | 168.3 | -146.7 | 146.2 | 9 | 112 | D126 S130 E132 K137 R138 | D126-R134 VanDerWaalsContact CG-NE 3.31Å; D126-R134 PolarHBondContact O-NH1 3.18Å; D126-R134 IonicContact OD1-NE 3.96Å; D126-R134 WeakPolarHBondContact OD2-CG 3.31Å; D126-R134 IonicContact OD2-CZ 3.19Å; D126-R134 IonicContact OD2-NE 2.7Å; D126-R134 PolarHBondContact OD2-NE 3.34Å; D126-R134 IonicContact OD2-NH2 3.03Å; D126-R134 PolarHBondContact OD2-NH2 2.97Å; S130-R134 PolarHBondContact O-N 2.86Å; E132-R134 VanDerWaalsContact C-N 3.34Å; R134-K137 PolarHBondContact O-N 3.28Å; R134-R138 WeakPolarHBondContact O-CB 3.09Å; R134-R138 PolarHBondContact O-N 3.14Å |
| 135 | E | 86.9 | Confident | 81.4 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 35% | 0.346 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.8 | -178.9 | 53.8 | -144.5 | 0 | 0 | 111.4 | P131 E132 E133 K137 R138 Q139 | P131-E135 PolarHBondContact O-N 2.96Å; E132-E135 PolarHBondContact O-N 3.1Å; E133-E135 PolarHBondContact O-N 3.3Å; E135-K137 PolarHBondContact O-N 3.5Å; E135-R138 VanDerWaalsContact CD-NH2 3.3Å; E135-R138 WeakPolarHBondContact O-CB 3.33Å; E135-R138 PolarHBondContact O-N 3.13Å; E135-R138 IonicContact OE1-CZ 3.22Å; E135-R138 IonicContact OE1-NE 3.1Å; E135-R138 PolarHBondContact OE1-NE 3.47Å; E135-R138 VanDerWaalsContact OE1-NE 3.1Å; E135-R138 IonicContact OE1-NH2 2.66Å; E135-R138 PolarHBondContact OE1-NH2 2.98Å; E135-R138 IonicContact OE2-CZ 3.12Å; E135-R138 IonicContact OE2-NE 2.96Å; E135-R138 PolarHBondContact OE2-NE 2.92Å; E135-R138 IonicContact OE2-NH1 3.92Å; E135-R138 IonicContact OE2-NH2 3.18Å; E135-R138 PolarHBondContact OE2-NH2 2.98Å; E135-Q139 VanDerWaalsContact O-CG 3.32Å; E135-Q139 WeakPolarHBondContact O-CG 3.18Å; E135-Q139 PolarHBondContact O-N 3.06Å; E135-Q139 WeakPolarHBondContact OE1-CG 3.4Å; E135-Q139 PolarHBondContact OE1-NE2 3.4Å |
| 136 | K | 87 | Confident | 83.7 | Confident | 131 Ų | 131 | 101 Ų | 101 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 176.1 | -172.4 | 177 | -176.7 | 171.3 | 0 | 112.4 | E132 E133 Q139 F140 | E132-K136 PolarHBondContact O-N 2.99Å; E133-K136 PolarHBondContact O-N 3.26Å; K136-Q139 PolarHBondContact O-N 3.17Å; K136-F140 WeakPolarHBondContact O-CB 3.47Å; K136-F140 PolarHBondContact O-N 3.04Å |
| 137 | K | 86.1 | Confident | 85.9 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 25% | 0.248 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174 | -175.3 | 179.9 | 178.7 | -178.9 | 0 | 110.6 | L129 E133 R134 E135 Q139 F140 E141 | L129-K137 HydrophobicContact CD1-CD 4.2Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 PolarHBondContact O-N 3.48Å; R134-K137 PolarHBondContact O-N 3.28Å; E135-K137 PolarHBondContact O-N 3.5Å; K137-Q139 PolarHBondContact O-N 3.39Å; K137-F140 WeakPolarHBondContact O-CB 3.33Å; K137-F140 PolarHBondContact O-N 3.44Å; K137-F140 VanDerWaalsContact O-N 3.15Å; K137-E141 WeakPolarHBondContact CE-OE1 3.5Å; K137-E141 WeakPolarHBondContact O-CG 3.33Å; K137-E141 PolarHBondContact O-N 2.72Å |
| 138 | R | 91.7 | Very high | 87.9 | Confident | 147 Ų | 147 | 109.7 Ų | 109.7 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.3 | -46.9 | 175.2 | -170.7 | -170 | 77.2 | 151.1 | 0.1 | 112.3 | R134 E135 E141 M142 | R134-R138 WeakPolarHBondContact O-CB 3.09Å; R134-R138 PolarHBondContact O-N 3.14Å; E135-R138 VanDerWaalsContact CD-NH2 3.3Å; E135-R138 WeakPolarHBondContact O-CB 3.33Å; E135-R138 PolarHBondContact O-N 3.13Å; E135-R138 IonicContact OE1-CZ 3.22Å; E135-R138 IonicContact OE1-NE 3.1Å; E135-R138 PolarHBondContact OE1-NE 3.47Å; E135-R138 VanDerWaalsContact OE1-NE 3.1Å; E135-R138 IonicContact OE1-NH2 2.66Å; E135-R138 PolarHBondContact OE1-NH2 2.98Å; E135-R138 IonicContact OE2-CZ 3.12Å; E135-R138 IonicContact OE2-NE 2.96Å; E135-R138 PolarHBondContact OE2-NE 2.92Å; E135-R138 IonicContact OE2-NH1 3.92Å; E135-R138 IonicContact OE2-NH2 3.18Å; E135-R138 PolarHBondContact OE2-NH2 2.98Å; R138-E141 PolarHBondContact O-N 3.07Å; R138-M142 WeakPolarHBondContact O-CB 3.31Å; R138-M142 PolarHBondContact O-N 3.11Å |
| 139 | Q | 95.1 | Very high | 89.6 | Confident | 80 Ų | 80 | 106.7 Ų | 106.7 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.3 | -69 | -61 | -25.5 | 0 | 0 | 111.8 | E135 K136 K137 M142 K143 | E135-Q139 VanDerWaalsContact O-CG 3.32Å; E135-Q139 WeakPolarHBondContact O-CG 3.18Å; E135-Q139 PolarHBondContact O-N 3.06Å; E135-Q139 WeakPolarHBondContact OE1-CG 3.4Å; E135-Q139 PolarHBondContact OE1-NE2 3.4Å; K136-Q139 PolarHBondContact O-N 3.17Å; K137-Q139 PolarHBondContact O-N 3.39Å; Q139-M142 PolarHBondContact O-N 3.01Å; Q139-K143 WeakPolarHBondContact O-CB 3.44Å; Q139-K143 PolarHBondContact O-N 3.37Å |
| 140 | F | 94.7 | Very high | 91 | Very high | 125 Ų | 125 | 108.8 Ų | 108.8 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.4 | 174.8 | -98.9 | 0 | 0 | 0 | 111.7 | K136 K137 K143 R144 | K136-F140 WeakPolarHBondContact O-CB 3.47Å; K136-F140 PolarHBondContact O-N 3.04Å; K137-F140 WeakPolarHBondContact O-CB 3.33Å; K137-F140 PolarHBondContact O-N 3.44Å; K137-F140 VanDerWaalsContact O-N 3.15Å; F140-K143 PolarHBondContact O-N 2.95Å; F140-R144 VanDerWaalsContact O-CB 3.27Å; F140-R144 WeakPolarHBondContact O-CB 3.07Å; F140-R144 PolarHBondContact O-N 3.13Å |
| 141 | E | 95.1 | Very high | 91.8 | Very high | 67 Ų | 67 | 109.7 Ų | 109.7 | 31% | 0.313 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.5 | -73.8 | 178.4 | -172 | 0 | 0 | 112.1 | K137 R138 K143 R144 K145 | K137-E141 WeakPolarHBondContact CE-OE1 3.5Å; K137-E141 WeakPolarHBondContact O-CG 3.33Å; K137-E141 PolarHBondContact O-N 2.72Å; R138-E141 PolarHBondContact O-N 3.07Å; E141-K143 PolarHBondContact O-N 3.36Å; E141-R144 PolarHBondContact O-N 3.17Å; E141-K145 WeakPolarHBondContact O-CB 3.39Å; E141-K145 PolarHBondContact O-N 3.03Å |
| 142 | M | 96.5 | Very high | 92.6 | Very high | 115 Ų | 115 | 111.1 Ų | 111.1 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 174.8 | -174.3 | 176.9 | 67.5 | 0 | 0 | 111.3 | R138 Q139 K145 L146 | R138-M142 WeakPolarHBondContact O-CB 3.31Å; R138-M142 PolarHBondContact O-N 3.11Å; Q139-M142 PolarHBondContact O-N 3.01Å; M142-K145 PolarHBondContact O-N 3.44Å; M142-L146 WeakPolarHBondContact O-CB 3.49Å; M142-L146 PolarHBondContact O-N 3.08Å |
| 143 | K | 97.2 | Very high | 93.5 | Very high | 156 Ų | 156 | 109.5 Ų | 109.5 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 176.5 | -173.9 | 177.1 | -178.6 | 177.9 | 0 | 111.7 | Q139 F140 E141 K145 L146 H147 | Q139-K143 WeakPolarHBondContact O-CB 3.44Å; Q139-K143 PolarHBondContact O-N 3.37Å; F140-K143 PolarHBondContact O-N 2.95Å; E141-K143 PolarHBondContact O-N 3.36Å; K143-K145 VanDerWaalsContact C-N 3.35Å; K143-L146 PolarHBondContact O-N 3.41Å; K143-H147 VanDerWaalsContact O-CB 3.31Å; K143-H147 WeakPolarHBondContact O-CB 3Å; K143-H147 PolarHBondContact O-N 3.14Å |
| 144 | R | 97.3 | Very high | 94.4 | Very high | 123 Ų | 123 | 110.7 Ų | 110.7 | 46% | 0.464 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.3 | -177.9 | 178.8 | 66.9 | -177.5 | -2.9 | 110.9 | F140 E141 L146 H147 Y148 | F140-R144 VanDerWaalsContact O-CB 3.27Å; F140-R144 WeakPolarHBondContact O-CB 3.07Å; F140-R144 PolarHBondContact O-N 3.13Å; E141-R144 PolarHBondContact O-N 3.17Å; R144-L146 VanDerWaalsContact C-N 3.33Å; R144-L146 PolarHBondContact O-N 3.47Å; R144-H147 PolarHBondContact O-N 3.49Å; R144-Y148 HydrophobicContact CG-CD2 3.67Å; R144-Y148 HydrophobicContact CG-CE2 3.74Å; R144-Y148 WeakPolarHBondContact O-CD2 3.49Å; R144-Y148 PolarHBondContact O-N 2.84Å; R144-Y148 VanDerWaalsContact O-N 3.1Å |
| 145 | K | 97.1 | Very high | 95 | Very high | 178 Ų | 178 | 114 Ų | 114 | 77% | 0.774 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 176.8 | -179.1 | 177.6 | 179.7 | 176.5 | 0 | 112.1 | E141 M142 K143 | E141-K145 WeakPolarHBondContact O-CB 3.39Å; E141-K145 PolarHBondContact O-N 3.03Å; M142-K145 PolarHBondContact O-N 3.44Å; K143-K145 VanDerWaalsContact C-N 3.35Å |
| 146 | L | 96.8 | Very high | 95.5 | Very high | 138 Ų | 138 | 114.8 Ų | 114.8 | 72% | 0.723 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.7 | -35.1 | 176.8 | -177 | 63.4 | 0 | 0 | 0 | 112.3 | M142 K143 R144 | M142-L146 WeakPolarHBondContact O-CB 3.49Å; M142-L146 PolarHBondContact O-N 3.08Å; K143-L146 PolarHBondContact O-N 3.41Å; R144-L146 VanDerWaalsContact C-N 3.33Å; R144-L146 PolarHBondContact O-N 3.47Å |
| 147 | H | 97.9 | Very high | 96 | Very high | 121 Ų | 121 | 110.7 Ų | 110.7 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.4 | -47.2 | -176.2 | -177.9 | 59.1 | 0 | 0 | 0 | 112.8 | K143 R144 N149 | K143-H147 VanDerWaalsContact O-CB 3.31Å; K143-H147 WeakPolarHBondContact O-CB 3Å; K143-H147 PolarHBondContact O-N 3.14Å; R144-H147 PolarHBondContact O-N 3.49Å; H147-N149 VanDerWaalsContact C-N 3.33Å; H147-N149 PolarHBondContact O-N 3.11Å |
| 148 | Y | 97.8 | Very high | 96.5 | Very high | 152 Ų | 152 | 116.1 Ų | 116.1 | 60% | 0.596 | 55% | 0.55 | S | S | * | . | trans | -83 | 77.6 | -176.9 | -69.2 | -62 | 0 | 0 | 0 | 111.5 | R144 E150 | R144-Y148 HydrophobicContact CG-CD2 3.67Å; R144-Y148 HydrophobicContact CG-CE2 3.74Å; R144-Y148 WeakPolarHBondContact O-CD2 3.49Å; R144-Y148 PolarHBondContact O-N 2.84Å; R144-Y148 VanDerWaalsContact O-N 3.1Å; Y148-E150 WeakPolarHBondContact CA-OE2 3.43Å | ||
| 149 | N | 96.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 115.3 Ų | 115.3 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | trans | -111 | 9.1 | 179.9 | 70.7 | 5.9 | 0 | 0 | 0 | 113.7 | H147 G151 L152 | H147-N149 VanDerWaalsContact C-N 3.33Å; H147-N149 PolarHBondContact O-N 3.11Å; N149-G151 PolarHBondContact O-N 3.41Å; N149-L152 VanDerWaalsContact O-CB 3.31Å; N149-L152 WeakPolarHBondContact O-CB 3.36Å; N149-L152 PolarHBondContact O-N 2.96Å | ||
| 150 | E | 96.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 115.9 Ų | 115.9 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57 | -30.8 | -172.7 | -60.9 | 87.7 | 163.4 | 0 | 0 | 112.3 | Y148 L152 N153 I154 | Y148-E150 WeakPolarHBondContact CA-OE2 3.43Å; E150-L152 PolarHBondContact O-N 3.19Å; E150-N153 PolarHBondContact O-N 2.84Å; E150-I154 WeakPolarHBondContact O-CG1 3.45Å; E150-I154 PolarHBondContact O-N 3.43Å |
| 151 | G | 96.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 115.3 Ų | 115.3 | 57% | 0.567 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -52.4 | -34.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N149 N153 | N149-G151 PolarHBondContact O-N 3.41Å; G151-N153 VanDerWaalsContact C-N 3.3Å; G151-N153 PolarHBondContact O-N 3.14Å |
| 152 | L | 96.6 | Very high | 96.9 | Very high | 142 Ų | 142 | 115.9 Ų | 115.9 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -37.5 | 178.8 | -177.6 | 60.9 | 0 | 0 | 0 | 111.9 | N149 E150 | N149-L152 VanDerWaalsContact O-CB 3.31Å; N149-L152 WeakPolarHBondContact O-CB 3.36Å; N149-L152 PolarHBondContact O-N 2.96Å; E150-L152 PolarHBondContact O-N 3.19Å |
| 153 | N | 96.6 | Very high | 96.8 | Very high | 85 Ų | 85 | 116.3 Ų | 116.3 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -93.1 | -4.9 | -172.1 | -67 | -20 | 0 | 0 | 0 | 113.4 | E150 G151 K155 L156 A157 | E150-N153 PolarHBondContact O-N 2.84Å; G151-N153 VanDerWaalsContact C-N 3.3Å; G151-N153 PolarHBondContact O-N 3.14Å; N153-K155 VanDerWaalsContact C-N 3.32Å; N153-K155 PolarHBondContact O-N 3.41Å; N153-L156 PolarHBondContact O-N 2.9Å; N153-A157 WeakPolarHBondContact O-CB 3.49Å; N153-A157 PolarHBondContact O-N 3.03Å |
| 154 | I | 98.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 114 Ų | 114 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -55.7 | -44.3 | -176.7 | -67.6 | 177.9 | 0 | 0 | 0 | 112.1 | E150 R158 | E150-I154 WeakPolarHBondContact O-CG1 3.45Å; E150-I154 PolarHBondContact O-N 3.43Å; I154-R158 VanDerWaalsContact O-CG 3.31Å; I154-R158 WeakPolarHBondContact O-CG 3.46Å; I154-R158 PolarHBondContact O-N 3.49Å |
| 155 | K | 97.3 | Very high | 96.3 | Very high | 169 Ų | 169 | 114 Ų | 114 | 74% | 0.735 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.7 | -44.5 | -179.2 | -69.3 | -179.7 | -177.6 | 175.9 | 0 | 111.7 | N153 R158 Q159 | N153-K155 VanDerWaalsContact C-N 3.32Å; N153-K155 PolarHBondContact O-N 3.41Å; K155-R158 PolarHBondContact O-N 2.91Å; K155-Q159 WeakPolarHBondContact O-CG 3.38Å; K155-Q159 PolarHBondContact O-N 3.11Å |
| 156 | L | 97 | Very high | 95.5 | Very high | 92 Ų | 92 | 110.5 Ų | 110.5 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.9 | -45.1 | 178 | 178.2 | 61 | 0 | 0 | 0 | 111 | N153 R158 Q159 L160 | N153-L156 PolarHBondContact O-N 2.9Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 3.22Å; L156-Q159 WeakPolarHBondContact O-CB 3.35Å; L156-Q159 PolarHBondContact O-N 3.27Å; L156-Q159 VanDerWaalsContact O-N 3.14Å; L156-L160 HydrophobicContact CD1-CG 4.41Å; L156-L160 HydrophobicContact CG-CD1 4.26Å; L156-L160 WeakPolarHBondContact O-CG 3.24Å; L156-L160 PolarHBondContact O-N 3.42Å |
| 157 | A | 97.4 | Very high | 94 | Very high | 45 Ų | 45 | 108.6 Ų | 108.6 | 37% | 0.372 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N153 Q159 L160 I161 | N153-A157 WeakPolarHBondContact O-CB 3.49Å; N153-A157 PolarHBondContact O-N 3.03Å; A157-Q159 VanDerWaalsContact C-N 3.35Å; A157-Q159 PolarHBondContact O-N 3.06Å; A157-L160 PolarHBondContact O-N 3.32Å; A157-I161 WeakPolarHBondContact O-CD1 3.38Å; A157-I161 VanDerWaalsContact O-CG1 3.24Å; A157-I161 WeakPolarHBondContact O-CG1 3.31Å; A157-I161 PolarHBondContact O-N 3.14Å |
| 158 | R | 97.5 | Very high | 92.1 | Very high | 171 Ų | 171 | 109.4 Ų | 109.4 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.6 | -43.9 | 173.9 | -73 | 173.8 | -174.2 | -169.1 | 1.8 | 112 | I154 K155 L156 I161 S162 | I154-R158 VanDerWaalsContact O-CG 3.31Å; I154-R158 WeakPolarHBondContact O-CG 3.46Å; I154-R158 PolarHBondContact O-N 3.49Å; K155-R158 PolarHBondContact O-N 2.91Å; L156-R158 VanDerWaalsContact C-N 3.33Å; L156-R158 PolarHBondContact O-N 3.22Å; R158-I161 PolarHBondContact O-N 3Å; R158-S162 PolarHBondContact O-N 3.03Å; R158-S162 PolarHBondContact O-OG 3.3Å; R158-S162 VanDerWaalsContact O-OG 3.11Å |
| 159 | Q | 96.9 | Very high | 90.2 | Very high | 130 Ų | 130 | 108.7 Ų | 108.7 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -42.4 | 177.6 | -73.1 | 177.1 | -19.3 | 0 | 0 | 112.3 | K155 L156 A157 S162 K163 | K155-Q159 WeakPolarHBondContact O-CG 3.38Å; K155-Q159 PolarHBondContact O-N 3.11Å; L156-Q159 WeakPolarHBondContact O-CB 3.35Å; L156-Q159 PolarHBondContact O-N 3.27Å; L156-Q159 VanDerWaalsContact O-N 3.14Å; A157-Q159 VanDerWaalsContact C-N 3.35Å; A157-Q159 PolarHBondContact O-N 3.06Å; Q159-S162 PolarHBondContact O-N 3Å; Q159-K163 WeakPolarHBondContact O-CB 3.48Å; Q159-K163 PolarHBondContact O-N 3.37Å |
| 160 | L | 96.5 | Very high | 88.1 | Confident | 92 Ų | 92 | 109.5 Ų | 109.5 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62 | -45.4 | 175.7 | -70.3 | 172.7 | 0 | 0 | 0 | 111.2 | L156 A157 S162 K163 D164 | L156-L160 HydrophobicContact CD1-CG 4.41Å; L156-L160 HydrophobicContact CG-CD1 4.26Å; L156-L160 WeakPolarHBondContact O-CG 3.24Å; L156-L160 PolarHBondContact O-N 3.42Å; A157-L160 PolarHBondContact O-N 3.32Å; L160-S162 VanDerWaalsContact C-N 3.33Å; L160-S162 PolarHBondContact O-N 3.07Å; L160-K163 PolarHBondContact O-N 3.47Å; L160-D164 WeakPolarHBondContact O-CB 3.38Å; L160-D164 PolarHBondContact O-N 2.95Å |
| 161 | I | 95.8 | Very high | 86.1 | Confident | 113 Ų | 113 | 114 Ų | 114 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.9 | -42.5 | 175.2 | -65.8 | 162.1 | 0 | 0 | 0 | 111.1 | A157 R158 K163 L165 | A157-I161 WeakPolarHBondContact O-CD1 3.38Å; A157-I161 VanDerWaalsContact O-CG1 3.24Å; A157-I161 WeakPolarHBondContact O-CG1 3.31Å; A157-I161 PolarHBondContact O-N 3.14Å; R158-I161 PolarHBondContact O-N 3Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.5Å; I161-L165 WeakPolarHBondContact O-CB 3.49Å; I161-L165 PolarHBondContact O-N 3.19Å |
| 162 | S | 95.8 | Very high | 84 | Confident | 79 Ų | 79 | 119.7 Ų | 119.7 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.6 | -38.2 | 176.6 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | R158 Q159 L160 H166 | R158-S162 PolarHBondContact O-N 3.03Å; R158-S162 PolarHBondContact O-OG 3.3Å; R158-S162 VanDerWaalsContact O-OG 3.11Å; Q159-S162 PolarHBondContact O-N 3Å; L160-S162 VanDerWaalsContact C-N 3.33Å; L160-S162 PolarHBondContact O-N 3.07Å; S162-H166 WeakPolarHBondContact O-CB 3.43Å; S162-H166 PolarHBondContact O-N 3.34Å |
| 163 | K | 94.2 | Very high | 81.6 | Confident | 124 Ų | 124 | 121 Ų | 121 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.9 | -49.7 | 176.3 | -175.9 | -176.7 | 173.4 | -175.3 | 0 | 111.2 | Q159 L160 I161 L165 H166 D167 | Q159-K163 WeakPolarHBondContact O-CB 3.48Å; Q159-K163 PolarHBondContact O-N 3.37Å; L160-K163 PolarHBondContact O-N 3.47Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 3.5Å; K163-L165 PolarHBondContact O-N 3.12Å; K163-H166 PolarHBondContact O-N 2.89Å; K163-D167 WeakPolarHBondContact CE-OD2 3.48Å; K163-D167 PolarHBondContact O-N 2.96Å |
| 164 | D | 92.9 | Very high | 79.4 | Confident | 107 Ų | 107 | 125.6 Ų | 125.6 | 57% | 0.572 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.3 | -32.7 | 179 | -73.2 | 3.2 | 0 | 0 | 0 | 111.5 | L160 | L160-D164 WeakPolarHBondContact O-CB 3.38Å; L160-D164 PolarHBondContact O-N 2.95Å |
| 165 | L | 90.7 | Very high | 77 | Confident | 123 Ų | 123 | 129.4 Ų | 129.4 | 64% | 0.644 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78.9 | -23.8 | 176.2 | -162.4 | 68.7 | 0 | 0 | 0 | 113.7 | I161 K163 | I161-L165 WeakPolarHBondContact O-CB 3.49Å; I161-L165 PolarHBondContact O-N 3.19Å; K163-L165 PolarHBondContact O-N 3.12Å |
| 166 | H | 80.9 | Confident | 74.1 | Confident | 105 Ų | 105 | 127.7 Ų | 127.7 | 49% | 0.486 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -90.8 | -30.4 | -179.8 | -166.8 | 50.7 | 0 | 0 | 0 | 112.6 | S162 K163 D168 E169 | S162-H166 WeakPolarHBondContact O-CB 3.43Å; S162-H166 PolarHBondContact O-N 3.34Å; K163-H166 PolarHBondContact O-N 2.89Å; H166-D168 PolarHBondContact O-N 3.2Å; H166-D168 VanDerWaalsContact O-N 3.12Å; H166-E169 PolarHBondContact O-N 2.89Å |
| 167 | D | 63.9 | Low | 71.7 | Confident | 98 Ų | 98 | 127.8 Ų | 127.8 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.3 | -14.4 | 173.8 | -92 | -11.7 | 0 | 0 | 0 | 112.3 | K163 | K163-D167 WeakPolarHBondContact CE-OD2 3.48Å; K163-D167 PolarHBondContact O-N 2.96Å |
| 168 | D | 59.3 | Low | 69.1 | Low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -9.2 | 172.5 | -72.5 | -28.9 | 0 | 0 | 0 | 113.7 | H166 | H166-D168 PolarHBondContact O-N 3.2Å; H166-D168 VanDerWaalsContact O-N 3.12Å |
| 169 | E | 56.7 | Low | 66.4 | Low | 137 Ų | 137 | 129 Ų | 129 | 64% | 0.64 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -7.9 | -179.3 | -65.8 | -168.9 | 166.2 | 0 | 0 | 113.7 | H166 E171 | H166-E169 PolarHBondContact O-N 2.89Å; E169-E171 PolarHBondContact O-N 3.04Å |
| 170 | D | 54.1 | Low | 63.6 | Low | 110 Ų | 110 | 131.4 Ų | 131.4 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 23.3 | -175.2 | -77.3 | -19.8 | 0 | 0 | 0 | 114.7 | ||
| 171 | E | 53.1 | Low | 61 | Low | 197 Ų | 197 | 131.7 Ų | 131.7 | 92% | 0.921 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -1.5 | 162.1 | -87.1 | -169.2 | 178.2 | 0 | 0 | 113.9 | E169 | E169-E171 PolarHBondContact O-N 3.04Š|
| 172 | E | 52 | Low | 58.2 | Low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -143 | 84.7 | 170 | -82.9 | -163 | 169.5 | 0 | 0 | 112.2 | ||
| 173 | M | 46.7 | Very low | 55.6 | Low | 170 Ų | 170 | 136.1 Ų | 136.1 | 84% | 0.837 | 73% | 0.725 | S | S | * | * | trans | 158.7 | 74.1 | 137.9 | -86.6 | -147.6 | -61.5 | 0 | 0 | 111.8 | E175 | M173-E175 PolarHBondContact O-N 3.41Š| ||
| 174 | L | 51.1 | Low | 53 | Low | 182 Ų | 182 | 137.1 Ų | 137.1 | 95% | 0.953 | 74% | 0.742 | S | S | * | * | trans | -89.6 | 75 | 147 | -79.5 | 170.8 | 0 | 0 | 0 | 109.1 | ||||
| 175 | E | 46.8 | Very low | 50.9 | Low | 161 Ų | 161 | 140.9 Ų | 140.9 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -173.4 | 99.1 | 153.5 | -118.4 | 174.5 | 174.9 | 0 | 0 | 111.2 | M173 | M173-E175 PolarHBondContact O-N 3.41Š| ||
| 176 | T | 37.7 | Very low | 48.8 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | 167 | 118.2 | 111 | 41 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 177 | A | 46.1 | Very low | 47.1 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 15.4 | 123.9 | 146 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 178 | D | 42.5 | Very low | 46.4 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | 77.7 | 125.8 | 124.7 | -149.7 | 20.7 | 0 | 0 | 0 | 118.9 | |||||
| 179 | G | 39.8 | Very low | 45.8 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 164 | 69.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 180 | E | 38.8 | Very low | 44.9 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 32.5 | 116.5 | 145.8 | -81.6 | 176.8 | 108.3 | 0 | 0 | 120.8 | ||||
| 181 | S | 42.3 | Very low | 44.2 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | 41.1 | 113 | 115.6 | 152.8 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 182 | M | 36.6 | Very low | 43.7 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | -174.9 | 122.4 | 119.3 | -102.2 | -161.9 | 172.7 | 0 | 0 | 114.2 | |||||
| 183 | N | 40.5 | Very low | 43.5 | Very low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | trans | 64 | 92 | 143.1 | -49.7 | -40.2 | 0 | 0 | 0 | 120.1 | ||||
| 184 | T | 41.6 | Very low | 43.1 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -85.7 | 98.8 | 150.3 | 49 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 185 | E | 47.3 | Very low | 42.5 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 133.1 | 170.1 | -70 | -171.2 | 138.4 | 0 | 0 | 110.9 | S187 | E185-S187 PolarHBondContact O-N 3.5Š| ||
| 186 | E | 47.1 | Very low | 42.3 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 105.3 | -171.2 | -166.4 | -166.9 | 141.6 | 0 | 0 | 111.3 | N188 | E186-N188 PolarHBondContact O-N 3.06Å; E186-N188 PolarHBondContact OE1-ND2 3.36Å | ||
| 187 | S | 45.6 | Very low | 42.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -91.5 | 92.8 | 169.7 | -152.2 | 0 | 0 | 0 | 0 | 109.8 | E185 Q189 | E185-S187 PolarHBondContact O-N 3.5Å; S187-Q189 PolarHBondContact O-N 3.13Å | ||
| 188 | N | 49.4 | Very low | 42.3 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 101.4 | 170.1 | -87.2 | -78.2 | 0 | 0 | 0 | 110.5 | E186 | E186-N188 PolarHBondContact O-N 3.06Å; E186-N188 PolarHBondContact OE1-ND2 3.36Å | ||
| 189 | Q | 47 | Very low | 42.4 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -106.5 | 106.6 | 159.1 | -68 | -164.7 | 8.8 | 0 | 0 | 108.6 | S187 S191 | S187-Q189 PolarHBondContact O-N 3.13Å; Q189-S191 PolarHBondContact O-N 2.79Å; Q189-S191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | G | 37.6 | Very low | 42.8 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -56.1 | 113.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 191 | S | 39.7 | Very low | 43.2 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -77.6 | 114.7 | 161.7 | -73.7 | 0 | 0 | 0 | 0 | 108.5 | Q189 | Q189-S191 PolarHBondContact O-N 2.79Å; Q189-S191 VanDerWaalsContact O-N 3.13Å | ||
| 192 | T | 42.1 | Very low | 43.3 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -87.6 | 125.5 | 161.3 | 48.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | P | 46.7 | Very low | 43.8 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 141.1 | 174.3 | 30.9 | -30.8 | 0 | 0 | 0 | 110.8 | D195 | P193-D195 PolarHBondContact O-N 3.38Š| ||
| 194 | S | 38.8 | Very low | 44.1 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 72% | 0.72 | 84% | 0.835 | S | S | * | * | trans | -34.4 | 118.5 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 195 | D | 39.8 | Very low | 44.3 | Very low | 171 Ų | 171 | 152 Ų | 152 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | trans | -99.5 | 103.6 | 166.7 | -122 | -11.1 | 0 | 0 | 0 | 109.7 | P193 | P193-D195 PolarHBondContact O-N 3.38Š| ||
| 196 | Q | 40.9 | Very low | 44.1 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 69% | 0.692 | 83% | 0.831 | S | S | * | * | trans | -104.1 | 129 | 173.7 | -137.5 | -179.2 | 64.6 | 0 | 0 | 107.4 | ||||
| 197 | Q | 41.4 | Very low | 44 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | trans | 72.6 | 113.4 | 161.6 | -58.4 | 175 | -9.9 | 0 | 0 | 118.2 | ||||
| 198 | Q | 43 | Very low | 43.9 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | -147 | 85.7 | 122.3 | -70.6 | -154.3 | -12.1 | 0 | 0 | 110.8 | |||||
| 199 | N | 45.1 | Very low | 43.5 | Very low | 159 Ų | 159 | 153.3 Ų | 153.3 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | trans | -91.2 | 89.9 | 160.5 | -59.9 | -9 | 0 | 0 | 0 | 107.7 | ||||
| 200 | K | 47.4 | Very low | 43.3 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.826 | 85% | 0.852 | S | S | * | * | trans | -172.2 | 138.7 | 153.6 | -123.8 | 168.9 | -175.5 | -174.8 | 0 | 113.4 | ||||
| 201 | L | 47.1 | Very low | 43.7 | Very low | 161 Ų | 161 | 157.6 Ų | 157.6 | 84% | 0.843 | 86% | 0.855 | S | S | * | * | trans | 87.7 | 88.9 | 160.6 | -48.2 | 177.4 | 0 | 0 | 0 | 117 | ||||
| 202 | R | 44.3 | Very low | 44 | Very low | 240 Ų | 240 | 160.6 Ų | 160.6 | 91% | 0.906 | 86% | 0.858 | S | S | * | * | -150.9 | 83.8 | 125.3 | -150.5 | 170.5 | 175.2 | -161.6 | -2.8 | 111.4 | |||||
| 203 | S | 48.4 | Very low | 44.1 | Very low | 118 Ų | 118 | 162.7 Ų | 162.7 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | trans | -98.3 | 118.7 | 150.8 | -75.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 204 | S | 46.8 | Very low | 43.9 | Very low | 184 Ų | 184 | 166.6 Ų | 166.6 | 100% | 1.287 | 87% | 0.867 | S | S | * | * | trans | 158.1 | 0 | 154.6 | -76.4 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 204 of 204 residues in 93.9 ms
(Link to these results)