| 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 | 33.5 | Very low | 39.5 | Very low | 227 Ų | 227 | 146 Ų | 146 | 100% | 1.118 | 80% | 0.801 | S | S | * | * | 0 | 101.7 | 0 | -72 | 158.9 | 166.2 | 0 | 0 | 107.4 | |||||
| 2 | D | 38.1 | Very low | 39.2 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | cis | -152.1 | 157 | 0.2 | -97.9 | -63.9 | 0 | 0 | 0 | 113.5 | ||||
| 3 | S | 39.7 | Very low | 38.9 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | 47.3 | 125.4 | 155.6 | -63.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 4 | R | 38.9 | Very low | 38.5 | Very low | 239 Ų | 239 | 132.4 Ų | 132.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | 51.4 | 143.4 | 75.6 | -79.7 | -177.2 | 155.6 | 168.2 | -6.3 | 113.7 | |||||
| 5 | S | 43.4 | Very low | 38.4 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | cis | 170.6 | 135.4 | -13.8 | 177.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 6 | Q | 46 | Very low | 38.1 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -155 | 154.3 | 163.4 | -120.9 | 157.5 | -5.8 | 0 | 0 | 112.6 | ||||
| 7 | N | 39.3 | Very low | 37.7 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -96.4 | -160.6 | -172.7 | -56.3 | -12.5 | 0 | 0 | 0 | 108.2 | ||||
| 8 | D | 36.8 | Very low | 37.5 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | cis | -154.5 | 163.5 | 23.9 | -81 | -67.8 | 0 | 0 | 0 | 111.2 | ||||
| 9 | S | 40.5 | Very low | 37.3 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | 145.6 | 146.6 | 155.6 | -69.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | D | 39.1 | Very low | 37.7 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | cis | -164.4 | 168.3 | -28.8 | -168.7 | 5.7 | 0 | 0 | 0 | 106.5 | ||||
| 11 | G | 39.4 | Very low | 37.4 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 118 | 91.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 12 | G | 35.7 | Very low | 37.3 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | 62.4 | 129.6 | 128.2 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 13 | G | 35.3 | Very low | 37.2 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -145.1 | 165.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 14 | G | 32.7 | Very low | 36.7 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 142.5 | 155.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 15 | R | 37 | Very low | 36.5 | Very low | 213 Ų | 213 | 128.3 Ų | 128.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | cis | -166.9 | 142.1 | -8.2 | -129.2 | 179.6 | -178.6 | -145.2 | -0 | 110.6 | ||||
| 16 | H | 33.9 | Very low | 36 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | 63.4 | 147.3 | 159 | -54.7 | -40.3 | 0 | 0 | 0 | 120.3 | ||||
| 17 | G | 32.3 | Very low | 35.3 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 159.8 | 24 | 162.5 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 18 | V | 32.6 | Very low | 35 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | 29.4 | 123.7 | 155.3 | -177.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 19 | L | 34.4 | Very low | 34.8 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | -161.4 | 157 | 128.4 | -126.4 | 89.1 | 0 | 0 | 0 | 110.8 | |||||
| 20 | P | 45.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -106.3 | 179.5 | -164.4 | 41.3 | -36.3 | 0 | 0 | 0 | 116.8 | ||||
| 21 | S | 31.4 | Very low | 33.9 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 165.4 | -171.5 | -40.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 22 | L | 32.1 | Very low | 33.7 | Very low | 184 Ų | 184 | 131.3 Ų | 131.3 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -123.1 | 130.7 | 147.3 | -148.8 | 84.3 | 0 | 0 | 0 | 109.6 | ||||
| 23 | T | 35.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -139.7 | 137.3 | -179.8 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 24 | G | 29.1 | Very low | 33.2 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 172.7 | 116.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 25 | L | 36.1 | Very low | 33.1 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -157.5 | 104.4 | 177.4 | -164.4 | 174.3 | 0 | 0 | 0 | 109.5 | ||||
| 26 | A | 31.9 | Very low | 33 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -163.2 | 99.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 27 | N | 30.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | 39.2 | 132.2 | 121.9 | -78.9 | 3.9 | 0 | 0 | 0 | 124.8 | |||||
| 28 | M | 34.3 | Very low | 32.6 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | trans | 72 | 153.4 | 149 | -58.5 | -51.4 | 129.8 | 0 | 0 | 119.4 | ||||
| 29 | A | 33 | Very low | 32.6 | Very low | 73 Ų | 73 | 145.4 Ų | 145.4 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | cis | -170 | -176.8 | -20.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 30 | H | 31.5 | Very low | 32.6 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | 69 | 155.2 | 175.5 | -77.4 | -91.9 | 0 | 0 | 0 | 116.9 | ||||
| 31 | D | 29.3 | Very low | 32.3 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | cis | -164.8 | 159.4 | -22.5 | -170.1 | 13 | 0 | 0 | 0 | 109.2 | ||||
| 32 | E | 34.3 | Very low | 32.6 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 161.5 | 127.9 | 157 | -99.4 | -82.2 | 92.9 | 0 | 0 | 109.4 | ||||
| 33 | G | 29.7 | Very low | 33.2 | Very low | 68 Ų | 68 | 144.2 Ų | 144.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -127.2 | 139.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 34 | R | 29.9 | Very low | 33.8 | Very low | 264 Ų | 264 | 142.9 Ų | 142.9 | 100% | 0.996 | 77% | 0.765 | S | S | * | * | trans | -142.1 | 146.2 | 164 | -147.2 | 162.6 | -167 | 140 | 5.3 | 112.5 | ||||
| 35 | A | 30.8 | Very low | 34.9 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -117.7 | 174.8 | -158.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 36 | R | 35.8 | Very low | 35.7 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | 83.2 | 139.4 | 170.3 | -50 | 169.3 | 73.3 | 171.3 | 5.7 | 114.8 | ||||
| 37 | S | 29.9 | Very low | 36.9 | Very low | 77 Ų | 77 | 143.7 Ų | 143.7 | 54% | 0.538 | 75% | 0.749 | S | S | . | * | cis | -173.1 | 160.2 | -16.8 | 42.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 38 | W | 28 | Very low | 38 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | 99.4 | 138.4 | 157.8 | -56.1 | 122.6 | 0 | 0 | 0 | 120.6 | ||||
| 39 | L | 33 | Very low | 39 | Very low | 166 Ų | 166 | 140 Ų | 140 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | trans | 68.3 | 104.3 | 155.8 | -65.8 | 160.6 | 0 | 0 | 0 | 119.4 | ||||
| 40 | R | 34.3 | Very low | 40 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | trans | -108.7 | 120.4 | 158 | 174.2 | 179.4 | -173 | -152.2 | 0.4 | 109.9 | T43 | R40-T43 PolarHBondContact NH2-O 3.03Å; R40-T43 PolarHBondContact NH2-OG1 2.97Å | ||
| 41 | P | 38.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 156.9 | 150.6 | -18 | 34 | 0 | 0 | 0 | 111.5 | T43 | P41-T43 PolarHBondContact O-N 3.29Š|
| 42 | H | 37.7 | Very low | 42.3 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -82 | 119.9 | -164.2 | -63.8 | -104.2 | 0 | 0 | 0 | 113.6 | ||
| 43 | T | 45 | Very low | 43.3 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 129.3 | 152.1 | 40.3 | 0 | 0 | 0 | 0 | 109.3 | R40 P41 | R40-T43 PolarHBondContact NH2-O 3.03Å; R40-T43 PolarHBondContact NH2-OG1 2.97Å; P41-T43 PolarHBondContact O-N 3.29Å |
| 44 | P | 48.1 | Very low | 44.4 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 148.1 | 173.2 | 29.2 | -34.1 | 0 | 0 | 0 | 110.4 | V46 | P44-V46 PolarHBondContact O-N 2.89Š|
| 45 | P | 52.3 | Low | 45.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 124.4 | 178.8 | 29.3 | -33.3 | 0 | 0 | 0 | 110.6 | L47 | P45-L47 PolarHBondContact O-N 2.94Š|
| 46 | V | 51.3 | Low | 46 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 89% | 0.885 | 70% | 0.701 | S | S | * | * | trans | -72.1 | 114.6 | 165 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | P44 | P44-V46 PolarHBondContact O-N 2.89Š| ||
| 47 | L | 56.9 | Low | 46.6 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 53% | 0.534 | 69% | 0.689 | S | S | . | * | trans | -72.4 | 151.5 | 180 | -57.4 | -177.8 | 0 | 0 | 0 | 110.9 | P45 | P45-L47 PolarHBondContact O-N 2.94Š| ||
| 48 | S | 55.2 | Low | 47.5 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | trans | -71.8 | 154.5 | -179.6 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | D50 Q51 | S48-D50 PolarHBondContact O-N 3.16Å; S48-D50 VanDerWaalsContact O-N 3.1Å; S48-Q51 WeakPolarHBondContact O-CB 3.28Å; S48-Q51 PolarHBondContact O-N 3.14Å | ||
| 49 | L | 55.1 | Low | 48.5 | Very low | 146 Ų | 146 | 121.2 Ų | 121.2 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -58.1 | -30.3 | -170.1 | -134.5 | 75.6 | 0 | 0 | 0 | 113.9 | Q51 I52 | L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q51 PolarHBondContact O-N 2.88Å; L49-I52 HydrophobicContact CD1-CD1 4.22Å; L49-I52 WeakPolarHBondContact O-CB 3.13Å; L49-I52 PolarHBondContact O-N 2.88Å |
| 50 | D | 53.1 | Low | 49.5 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -70.6 | -27.9 | -179.9 | -57.4 | -59.9 | 0 | 0 | 0 | 113 | S48 I52 R53 | S48-D50 PolarHBondContact O-N 3.16Å; S48-D50 VanDerWaalsContact O-N 3.1Å; D50-I52 PolarHBondContact O-N 3.43Å; D50-R53 PolarHBondContact O-N 2.04Å; D50-R53 VanDerWaalsContact O-N 3.14Å |
| 51 | Q | 54.9 | Low | 50.3 | Low | 103 Ų | 103 | 124.5 Ų | 124.5 | 48% | 0.481 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -70.3 | -23.7 | 179.1 | -155.2 | 163.5 | 13.4 | 0 | 0 | 111.9 | S48 L49 R53 | S48-Q51 WeakPolarHBondContact O-CB 3.28Å; S48-Q51 PolarHBondContact O-N 3.14Å; L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q51 PolarHBondContact O-N 2.88Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.26Å |
| 52 | I | 54.6 | Low | 51 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 59% | 0.59 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -68 | -27.7 | 174 | -52.3 | 176.1 | 0 | 0 | 0 | 111.2 | L49 D50 I54 | L49-I52 HydrophobicContact CD1-CD1 4.22Å; L49-I52 WeakPolarHBondContact O-CB 3.13Å; L49-I52 PolarHBondContact O-N 2.88Å; D50-I52 PolarHBondContact O-N 3.43Å; I52-I54 PolarHBondContact O-N 2.81Å |
| 53 | R | 54.7 | Low | 51.6 | Low | 218 Ų | 218 | 121.8 Ų | 121.8 | 82% | 0.823 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.9 | -14.9 | -175.1 | -159.2 | -178 | -66.3 | -126.3 | 2.3 | 114 | D50 Q51 | D50-R53 PolarHBondContact O-N 2.04Å; D50-R53 VanDerWaalsContact O-N 3.14Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.26Å |
| 54 | I | 52.7 | Low | 51.9 | Low | 154 Ų | 154 | 119.8 Ų | 119.8 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -20.6 | 179.2 | -57.8 | -179.9 | 0 | 0 | 0 | 111.3 | I52 G56 | I52-I54 PolarHBondContact O-N 2.81Å; I54-G56 PolarHBondContact O-N 3.33Å |
| 55 | S | 47.3 | Very low | 51.7 | Low | 95 Ų | 95 | 121.2 Ų | 121.2 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -74.8 | 72.1 | 165.4 | -64 | 0 | 0 | 0 | 0 | 111.2 | G57 | S55-G57 PolarHBondContact O-N 3.48Š|
| 56 | G | 49 | Very low | 51.3 | Low | 68 Ų | 68 | 121.6 Ų | 121.6 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | -55.3 | 122.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | I54 S58 | I54-G56 PolarHBondContact O-N 3.33Å; G56-S58 PolarHBondContact O-N 3.26Å | ||
| 57 | G | 48 | Very low | 50.7 | Low | 62 Ų | 62 | 119.3 Ų | 119.3 | 64% | 0.639 | 69% | 0.692 | S | S | * | * | trans | -68 | 96.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S55 N59 | S55-G57 PolarHBondContact O-N 3.48Å; G57-N59 VanDerWaalsContact C-N 3.33Å; G57-N59 PolarHBondContact O-N 3.45Å; G57-N59 PolarHBondContact O-OD1 2.87Å | ||
| 58 | S | 48 | Very low | 49.7 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | trans | -73.5 | 90.2 | 166.2 | -166.8 | 0 | 0 | 0 | 0 | 108.5 | G56 E60 | G56-S58 PolarHBondContact O-N 3.26Å; S58-E60 PolarHBondContact O-N 2.96Å | ||
| 59 | N | 48.8 | Very low | 48.8 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | trans | -80.1 | 80.2 | -174.9 | -66.4 | -12 | 0 | 0 | 0 | 110.4 | G57 Y61 T62 | G57-N59 VanDerWaalsContact C-N 3.33Å; G57-N59 PolarHBondContact O-N 3.45Å; G57-N59 PolarHBondContact O-OD1 2.87Å; N59-Y61 PolarHBondContact O-N 2.81Å; N59-T62 PolarHBondContact O-N 3.19Å; N59-T62 PolarHBondContact O-OG1 3.31Å | ||
| 60 | E | 54.9 | Low | 47.7 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 5.7 | -178.6 | -159.4 | 163.1 | 107.3 | 0 | 0 | 114.7 | S58 | S58-E60 PolarHBondContact O-N 2.96Š|
| 61 | Y | 50.1 | Low | 46.7 | Very low | 232 Ų | 232 | 129.5 Ų | 129.5 | 91% | 0.91 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -2.7 | 170.7 | -147.6 | -95.8 | 0 | 0 | 0 | 113.8 | N59 | N59-Y61 PolarHBondContact O-N 2.81Š|
| 62 | T | 53.6 | Low | 46 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -18 | 175.4 | 37 | 0 | 0 | 0 | 0 | 114.4 | N59 G64 | N59-T62 PolarHBondContact O-N 3.19Å; N59-T62 PolarHBondContact O-OG1 3.31Å; T62-G64 PolarHBondContact O-N 3.29Å |
| 63 | D | 49.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 60% | 0.599 | 77% | 0.765 | S | S | * | * | trans | -87.1 | 102.1 | -176.5 | -68.7 | -70.9 | 0 | 0 | 0 | 112.3 | ||||
| 64 | G | 50.7 | Low | 43.8 | Very low | 54 Ų | 54 | 125.6 Ų | 125.6 | 56% | 0.557 | 77% | 0.765 | S | S | * | * | trans | -63 | 158.8 | 163 | 0 | 0 | 0 | 0 | 0 | 111.7 | T62 S66 | T62-G64 PolarHBondContact O-N 3.29Å; G64-S66 PolarHBondContact O-N 3.39Å | ||
| 65 | P | 44.6 | Very low | 42.9 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -56.7 | 122.1 | -169.7 | 22.7 | -34.3 | 0 | 0 | 0 | 112.3 | A67 | P65-A67 PolarHBondContact O-N 3.31Å; P65-A67 VanDerWaalsContact O-N 3.14Å |
| 66 | S | 43.3 | Very low | 42.3 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -63.9 | 110.8 | -164.8 | -48.8 | 0 | 0 | 0 | 0 | 113.4 | G64 | G64-S66 PolarHBondContact O-N 3.39Š| ||
| 67 | A | 38.8 | Very low | 41.5 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 136.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P65 | P65-A67 PolarHBondContact O-N 3.31Å; P65-A67 VanDerWaalsContact O-N 3.14Å |
| 68 | A | 36 | Very low | 40.5 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 150 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 69 | Q | 36 | Very low | 39.7 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139 | 173.9 | -72.2 | -169.7 | -30.1 | 0 | 0 | 113 | ||
| 70 | R | 31.8 | Very low | 38.8 | Very low | 247 Ų | 247 | 145.6 Ų | 145.6 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -141.5 | 109.1 | 153.1 | -78.6 | -168.5 | 174.5 | 169 | -0.7 | 111.8 | ||||
| 71 | S | 33.5 | Very low | 37.6 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -121.8 | 138.1 | 150.4 | -62 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 72 | P | 39.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -137.6 | -171.3 | 78.3 | 42.6 | -27 | 0 | 0 | 0 | 111.2 | |||||
| 73 | A | 30.6 | Very low | 35.5 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | cis | -152.3 | 170.5 | 15.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 74 | T | 32.2 | Very low | 34.6 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -83.2 | 128.9 | 179.4 | -43.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 75 | Q | 34 | Very low | 33.6 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -179.1 | 152 | 153 | -106.2 | 153.7 | 102 | 0 | 0 | 109.5 | ||||
| 76 | Q | 34.9 | Very low | 32.9 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | cis | -148.6 | 151.3 | -3.3 | -162.7 | 171 | 5.6 | 0 | 0 | 110.2 | ||||
| 77 | R | 32.3 | Very low | 32.3 | Very low | 225 Ų | 225 | 141.6 Ų | 141.6 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | -85.6 | 125.8 | 175.8 | 174.1 | -172.6 | -179.4 | -172.2 | 2.4 | 110.4 | ||||
| 78 | K | 28 | Very low | 32.1 | Very low | 167 Ų | 167 | 148 Ų | 148 | 73% | 0.726 | 81% | 0.805 | S | S | * | * | trans | -131 | 127.3 | 155.5 | -167.2 | 175.7 | -177.9 | -172 | 0 | 111 | E80 | K78-E80 WeakPolarHBondContact CE-OE2 3.39Å; K78-E80 IonicContact NZ-OE2 2.77Å; K78-E80 PolarHBondContact NZ-OE2 3.04Å | ||
| 79 | T | 31.1 | Very low | 31.9 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 69% | 0.693 | 81% | 0.809 | S | S | * | * | trans | -126.3 | 114.1 | 171.7 | -55.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 80 | E | 29.2 | Very low | 31.6 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -137.6 | 170.3 | 162.9 | -71.7 | -168.4 | 131 | 0 | 0 | 108.7 | K78 | K78-E80 WeakPolarHBondContact CE-OE2 3.39Å; K78-E80 IonicContact NZ-OE2 2.77Å; K78-E80 PolarHBondContact NZ-OE2 3.04Å | ||
| 81 | M | 30 | Very low | 31.5 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -138.7 | 175.9 | -145.5 | -176.7 | -177.2 | 157.2 | 0 | 0 | 111.7 | ||||
| 82 | V | 31.1 | Very low | 31.4 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 67% | 0.673 | 81% | 0.807 | S | S | * | * | trans | 96 | 90.9 | 160.2 | -170.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 83 | T | 28.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | 57.7 | 116.1 | 122.3 | -45.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 84 | S | 30 | Very low | 31 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | -172.6 | 131.7 | 110 | -80.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 85 | T | 29.9 | Very low | 30.9 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -16.7 | 139 | 152.4 | -48.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 86 | G | 29.8 | Very low | 31.2 | Very low | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | trans | 148.3 | 115.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 87 | S | 31.5 | Very low | 31.4 | Very low | 134 Ų | 134 | 151.4 Ų | 151.4 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | 73 | 163.2 | 147.2 | -64.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 88 | R | 34 | Very low | 31.5 | Very low | 233 Ų | 233 | 149.1 Ų | 149.1 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -120.5 | 147.1 | -168 | -58.5 | 149.1 | 59.7 | -177.8 | 0.8 | 110.7 | ||||
| 89 | T | 31.4 | Very low | 32.2 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -165.1 | 162.5 | 139.7 | 16 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 90 | N | 30 | Very low | 32.4 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 155.3 | 177.7 | -64.9 | -5.6 | 0 | 0 | 0 | 112 | ||||
| 91 | G | 29.3 | Very low | 32.9 | Very low | 79 Ų | 79 | 144.1 Ų | 144.1 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -160.6 | 131.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 92 | Q | 31.4 | Very low | 33.4 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -98.9 | 135 | 172.5 | -79.6 | 169.8 | -117 | 0 | 0 | 110.1 | ||||
| 93 | Q | 30.4 | Very low | 34.1 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -172.6 | 114.2 | 145.8 | -104.2 | 164.7 | -16.9 | 0 | 0 | 106 | ||||
| 94 | E | 32.4 | Very low | 34.6 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 72.9 | 109.3 | 73.3 | -69.1 | 177.4 | 147.2 | 0 | 0 | 112.9 | |||||
| 95 | T | 29.3 | Very low | 35.2 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -144 | 88.8 | 167.9 | 29 | 0 | 0 | 0 | 0 | 109 | E97 | T95-E97 PolarHBondContact O-N 2.79Š| ||
| 96 | E | 40.3 | Very low | 35.6 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -101.5 | 54.7 | -170.2 | -161.2 | -170.3 | 152.7 | 0 | 0 | 112.9 | ||||
| 97 | E | 39 | Very low | 35.9 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -125.4 | -16.2 | -176.9 | -70.2 | -158.9 | 106.5 | 0 | 0 | 116.6 | T95 V99 | T95-E97 PolarHBondContact O-N 2.79Å; E97-V99 PolarHBondContact O-N 3.47Å | ||
| 98 | E | 35 | Very low | 36.2 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -83.5 | -7.4 | -172.9 | -147.4 | 178.6 | 105.5 | 0 | 0 | 115.1 | ||
| 99 | V | 41.8 | Very low | 36.4 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -83.4 | -28.7 | -173.7 | 179.2 | 0 | 0 | 0 | 0 | 113.4 | E97 N101 | E97-V99 PolarHBondContact O-N 3.47Å; V99-N101 PolarHBondContact O-N 3.16Å |
| 100 | S | 36.7 | Very low | 36.9 | Very low | 90 Ų | 90 | 145 Ų | 145 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -70.3 | -31.6 | -167.2 | -160.8 | 0 | 0 | 0 | 0 | 114.2 | N102 | S100-N102 PolarHBondContact O-N 3.35Å |
| 101 | N | 39.8 | Very low | 37.2 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -72.9 | -27.4 | -170.7 | -70.7 | -41.5 | 0 | 0 | 0 | 114.4 | V99 | V99-N101 PolarHBondContact O-N 3.16Å |
| 102 | N | 40.9 | Very low | 37.5 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -78 | -28.1 | -177.1 | -79.7 | -65.8 | 0 | 0 | 0 | 113.6 | S100 R104 | S100-N102 PolarHBondContact O-N 3.35Å; N102-R104 PolarHBondContact O-N 3.39Å |
| 103 | L | 44.4 | Very low | 37.4 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -64.3 | -26.6 | 178.2 | -88.7 | 161.8 | 0 | 0 | 0 | 113.3 | N105 | L103-N105 PolarHBondContact O-N 3.32Å |
| 104 | R | 39.8 | Very low | 37.5 | Very low | 215 Ų | 215 | 145.2 Ų | 145.2 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -76.9 | -19.1 | -174.1 | -156.4 | 169.3 | -172.3 | 169.1 | 2.5 | 114.2 | N102 | N102-R104 PolarHBondContact O-N 3.39Å |
| 105 | N | 41.4 | Very low | 37.6 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -86.2 | -26 | 179.8 | -88.9 | -37.8 | 0 | 0 | 0 | 114.2 | L103 Y107 | L103-N105 PolarHBondContact O-N 3.32Å; N105-Y107 VanDerWaalsContact C-N 3.33Å; N105-Y107 PolarHBondContact O-N 3.48Å |
| 106 | L | 38.9 | Very low | 37.9 | Very low | 136 Ų | 136 | 142 Ų | 142 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -71.5 | -25.2 | 178.1 | -84.8 | 98.4 | 0 | 0 | 0 | 113.6 | S108 | L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.14Å |
| 107 | Y | 36.9 | Very low | 37.7 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -16.3 | -177 | -117.6 | -86.8 | 0 | 0 | 0 | 114.3 | N105 V109 | N105-Y107 VanDerWaalsContact C-N 3.33Å; N105-Y107 PolarHBondContact O-N 3.48Å; Y107-V109 PolarHBondContact O-N 3.41Å |
| 108 | S | 37.9 | Very low | 37.9 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7 | -171 | -56.5 | 0 | 0 | 0 | 0 | 115 | L106 | L106-S108 VanDerWaalsContact C-N 3.31Å; L106-S108 PolarHBondContact O-N 3.14Å |
| 109 | V | 38.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -104.3 | -10.5 | -168.7 | -177.6 | 0 | 0 | 0 | 0 | 113.3 | Y107 | Y107-V109 PolarHBondContact O-N 3.41Š|
| 110 | T | 40.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -104.2 | 1.5 | -169 | -32.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 111 | H | 37.8 | Very low | 36.8 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -115.5 | 70.8 | -176.2 | -104.4 | -85.7 | 0 | 0 | 0 | 113.9 | ||||
| 112 | Q | 34.3 | Very low | 36.5 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 94% | 0.944 | 75% | 0.748 | S | S | * | * | trans | -142.2 | 52 | 160.7 | -156.8 | 169.7 | 97.1 | 0 | 0 | 112.2 | ||||
| 113 | G | 30.2 | Very low | 35.9 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 114 | N | 32.6 | Very low | 35.2 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 142.6 | -175.8 | -168.5 | 31.2 | 0 | 0 | 0 | 112.2 | ||
| 115 | A | 34.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 145.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 116 | N | 34.4 | Very low | 34.2 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -172.1 | 124.9 | 147.6 | -95.8 | -33.6 | 0 | 0 | 0 | 111 | ||||
| 117 | A | 36.4 | Very low | 33.7 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -132.9 | 154.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 118 | P | 44.5 | Very low | 33.4 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | -151 | 148.7 | 96.1 | 31.5 | -10.8 | 0 | 0 | 0 | 118 | |||||
| 119 | I | 31.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | trans | 68.6 | 104 | 134.1 | -59.6 | 169.7 | 0 | 0 | 0 | 120.6 | ||||
| 120 | S | 27.3 | Very low | 32.7 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | 43.8 | 132.6 | 122.2 | -169.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 121 | S | 30 | Very low | 32.5 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | 174.4 | 133 | 98.6 | -74.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 122 | R | 33.8 | Very low | 32.3 | Very low | 208 Ų | 208 | 130.2 Ų | 130.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 62.1 | 164.5 | 154.6 | -61.3 | -176.8 | 117.1 | 159.7 | -2 | 117.3 | ||||
| 123 | E | 29.6 | Very low | 31.9 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -163.2 | 172.6 | -29.8 | -103.4 | 162.1 | -172.3 | 0 | 0 | 105.1 | ||||
| 124 | G | 28.3 | Very low | 32.2 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 120.1 | 91.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 125 | M | 31.2 | Very low | 32.2 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | -49.7 | 139.5 | 165.5 | -173.5 | 71.9 | 110.1 | 0 | 0 | 117.5 | ||||
| 126 | S | 29.1 | Very low | 32 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | 74.4 | 147.2 | 144.7 | -77.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 127 | Q | 29 | Very low | 31.9 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 89 | 168.2 | 141.6 | -82.3 | 174 | 55.8 | 0 | 0 | 121.3 | ||||
| 128 | S | 31.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -149.6 | 130.2 | -147.2 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 129 | S | 31.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -174 | 131.1 | 162.7 | 31.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 130 | S | 30 | Very low | 32 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | cis | 86.7 | 132.1 | 47.8 | 76.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 131 | V | 35.1 | Very low | 32.5 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 80.2 | 131.5 | 159.7 | -62.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 132 | E | 33.9 | Very low | 33 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | 66.3 | 105.9 | 155.8 | -51.4 | -36.2 | 73.8 | 0 | 0 | 126.6 | ||||
| 133 | D | 27.2 | Very low | 32.9 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | 70.4 | 169.4 | 113.4 | -149.9 | 14.1 | 0 | 0 | 0 | 123.8 | |||||
| 134 | S | 34.6 | Very low | 33.1 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | 97 | 71.4 | 166.5 | -62.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 135 | Q | 34.5 | Very low | 33.2 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | 26.3 | 156.7 | 126.9 | -53.3 | -172.9 | 30.6 | 0 | 0 | 124.4 | |||||
| 136 | S | 29.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 82 | 158.9 | 167.3 | 88 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 137 | S | 31 | Very low | 33.8 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | cis | -147.3 | 165 | 4.7 | -165.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 138 | V | 36.5 | Very low | 34.3 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 140.3 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 139 | R | 43.7 | Very low | 34.7 | Very low | 248 Ų | 248 | 126.5 Ų | 126.5 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -135.9 | 129.5 | 153 | -72 | -164.6 | 174.1 | -172.6 | -1.5 | 112.3 | ||||
| 140 | T | 35.5 | Very low | 35.2 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -97.6 | 154.6 | 167.9 | 44.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | S | 37.8 | Very low | 35.6 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -150.3 | 131.4 | 165.2 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 142 | A | 39.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | trans | -128.4 | 152.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 143 | G | 30.7 | Very low | 35.7 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -177.2 | 130.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 144 | S | 34.7 | Very low | 36 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | trans | -136.7 | 143.1 | -175.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 145 | G | 31.1 | Very low | 36.4 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | 163.2 | 127.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 146 | S | 32.4 | Very low | 36.6 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | 73.1 | 126.3 | 63.3 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 147 | S | 38.8 | Very low | 37 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | cis | -156 | 175.8 | -7.6 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 148 | G | 39.4 | Very low | 37.8 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | -116 | 168.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 149 | Q | 40.3 | Very low | 38.4 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -158.6 | 128.7 | 166.9 | -104.7 | 169.1 | 76.5 | 0 | 0 | 108.8 | ||||
| 150 | R | 41.2 | Very low | 38.5 | Very low | 214 Ų | 214 | 127 Ų | 127 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | 67.1 | 137.5 | 101.1 | -69.7 | -168.3 | 167.9 | -156.7 | -4.2 | 115 | |||||
| 151 | L | 39.9 | Very low | 38.9 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | cis | -162.6 | -172.4 | -0.2 | -125.5 | 174.4 | 0 | 0 | 0 | 111.7 | ||||
| 152 | L | 40.2 | Very low | 39.2 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 75.6 | 161 | 174 | -49 | -176.3 | 0 | 0 | 0 | 115.2 | ||||
| 153 | G | 30.5 | Very low | 39.4 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | cis | -144.8 | -73.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 154 | G | 32.4 | Very low | 40 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 132.8 | -170.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 155 | P | 44.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | cis | -117.5 | -165 | -5.5 | 41.9 | -29 | 0 | 0 | 0 | 113 | ||||
| 156 | A | 39 | Very low | 41.1 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -72 | 148.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 157 | N | 37.7 | Very low | 41.1 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -136.3 | 140.1 | 135.9 | -167.5 | 8 | 0 | 0 | 0 | 108.7 | ||||
| 158 | S | 46.7 | Very low | 41.3 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -103.2 | 117.7 | -170.9 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 159 | Y | 50.2 | Low | 41.2 | Very low | 184 Ų | 184 | 145 Ų | 145 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -132.2 | 128.3 | 161.5 | 64.6 | -82.8 | 0 | 0 | 0 | 109.5 | I161 | Y159-I161 HydrophobicContact CD2-CG1 3.97Å; Y159-I161 HydrophobicContact CE2-CD1 3.8Å; Y159-I161 HydrophobicContact CE2-CG1 3.73Å; Y159-I161 PolarHBondContact O-N 2.95Å; Y159-I161 VanDerWaalsContact O-N 3.14Å | ||
| 160 | E | 45 | Very low | 41 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 106 | -176.8 | -70.5 | -175.8 | 100.6 | 0 | 0 | 111 | I162 | E160-I162 HydrophobicContact CB-CG1 4.29Å; E160-I162 PolarHBondContact O-N 3.43Å | ||
| 161 | I | 43.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 62% | 0.621 | 78% | 0.778 | S | S | * | * | trans | -82.1 | 92.1 | 162.7 | -57.8 | 175.3 | 0 | 0 | 0 | 107 | Y159 R163 | Y159-I161 HydrophobicContact CD2-CG1 3.97Å; Y159-I161 HydrophobicContact CE2-CD1 3.8Å; Y159-I161 HydrophobicContact CE2-CG1 3.73Å; Y159-I161 PolarHBondContact O-N 2.95Å; Y159-I161 VanDerWaalsContact O-N 3.14Å; I161-R163 HydrophobicContact CG2-CB 4.41Å; I161-R163 PolarHBondContact O-N 3.42Å | ||
| 162 | I | 45.1 | Very low | 41.3 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | trans | -67.6 | 81.2 | 175.4 | -58.1 | 177.5 | 0 | 0 | 0 | 109.1 | E160 N164 | E160-I162 HydrophobicContact CB-CG1 4.29Å; E160-I162 PolarHBondContact O-N 3.43Å; I162-N164 PolarHBondContact O-N 2.82Å | ||
| 163 | R | 43.1 | Very low | 41.2 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -91.5 | 86.8 | 179.7 | -161.5 | -171.8 | -149.9 | -175.7 | 12.1 | 109.3 | I161 Q165 | I161-R163 HydrophobicContact CG2-CB 4.41Å; I161-R163 PolarHBondContact O-N 3.42Å; R163-Q165 HydrophobicContact CG-CG 4.24Å; R163-Q165 PolarHBondContact O-N 3.36Å | ||
| 164 | N | 44.9 | Very low | 42.2 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 61.1 | 173.2 | -71.8 | -1.7 | 0 | 0 | 0 | 112 | I162 | I162-N164 PolarHBondContact O-N 2.82Š| ||
| 165 | Q | 43.1 | Very low | 42.3 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 60% | 0.603 | 79% | 0.792 | S | S | * | * | trans | -74.4 | 130.1 | 161.9 | -87.3 | -173.7 | -35.6 | 0 | 0 | 108.9 | R163 K167 | R163-Q165 HydrophobicContact CG-CG 4.24Å; R163-Q165 PolarHBondContact O-N 3.36Å; Q165-K167 PolarHBondContact O-N 3.33Å; Q165-K167 VanDerWaalsContact O-N 3.14Å | ||
| 166 | P | 44.7 | Very low | 42 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -55.8 | 121 | 167.9 | -24.7 | 34.8 | 0 | 0 | 0 | 109.7 | R168 | P166-R168 PolarHBondContact O-N 3.21Š| ||
| 167 | K | 33.5 | Very low | 42.2 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -55.4 | 112.3 | -178.6 | -179.1 | 176 | -179.3 | 178.1 | 0 | 109.7 | Q165 A169 | Q165-K167 PolarHBondContact O-N 3.33Å; Q165-K167 VanDerWaalsContact O-N 3.14Å; K167-A169 PolarHBondContact O-N 3.37Å | ||
| 168 | R | 43 | Very low | 42.8 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 126.7 | 161 | -74.8 | -169.4 | 172.8 | -179.7 | -1.5 | 107.2 | P166 | P166-R168 PolarHBondContact O-N 3.21Š|
| 169 | A | 37.2 | Very low | 42.9 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 127.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | K167 | K167-A169 PolarHBondContact O-N 3.37Š|
| 170 | D | 35 | Very low | 42.6 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 169.2 | 175.9 | -71.1 | -62.8 | 0 | 0 | 0 | 111.5 | E172 | D170-E172 PolarHBondContact O-N 2.94Å; D170-E172 VanDerWaalsContact O-N 3.11Å |
| 171 | S | 45.2 | Very low | 42.8 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | -75.5 | 99.3 | -179.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 172 | E | 41.7 | Very low | 43.2 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | trans | -80.2 | 136.5 | 160.7 | -78 | -162.5 | 109.1 | 0 | 0 | 111.7 | D170 L174 | D170-E172 PolarHBondContact O-N 2.94Å; D170-E172 VanDerWaalsContact O-N 3.11Å; E172-L174 PolarHBondContact O-N 2.91Å | ||
| 173 | E | 39.4 | Very low | 43.7 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -61.3 | 118.5 | -167.8 | -169.2 | 169.9 | 100.3 | 0 | 0 | 114.9 | K175 | E173-K175 PolarHBondContact O-N 2.81Š| ||
| 174 | L | 50.8 | Low | 44.6 | Very low | 170 Ų | 170 | 146 Ų | 146 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 28.5 | 52.7 | 146.2 | -66.6 | 174.2 | 0 | 0 | 0 | 119.3 | E172 P176 | E172-L174 PolarHBondContact O-N 2.91Å; L174-P176 WeakPolarHBondContact O-CD 3.12Å | ||
| 175 | K | 34.3 | Very low | 45.9 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -78.1 | 119.7 | 162.8 | -159 | 165.8 | -170.4 | 169.6 | 0 | 110 | E173 L177 | E173-K175 PolarHBondContact O-N 2.81Å; K175-L177 PolarHBondContact O-N 2.96Å | ||
| 176 | P | 37.8 | Very low | 47.4 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | trans | -76 | 95.1 | -170 | 29 | -35.2 | 0 | 0 | 0 | 112.5 | L174 N178 | L174-P176 WeakPolarHBondContact O-CD 3.12Å; P176-N178 HydrophobicContact CB-CB 4.49Å; P176-N178 PolarHBondContact O-N 2.94Å | ||
| 177 | L | 44.6 | Very low | 49.1 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 23.4 | 168.7 | -72.3 | 167 | 0 | 0 | 0 | 114 | K175 | K175-L177 PolarHBondContact O-N 2.96Š|
| 178 | N | 49.9 | Very low | 51.6 | Low | 106 Ų | 106 | 140.9 Ų | 140.9 | 57% | 0.567 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.4 | -172.6 | -70.3 | -43.4 | 0 | 0 | 0 | 114.1 | P176 R182 | P176-N178 HydrophobicContact CB-CB 4.49Å; P176-N178 PolarHBondContact O-N 2.94Å; N178-R182 VanDerWaalsContact O-CD 3.28Å; N178-R182 WeakPolarHBondContact O-CD 3.27Å; N178-R182 VanDerWaalsContact O-CG 3.24Å; N178-R182 WeakPolarHBondContact O-CG 3.24Å |
| 179 | A | 47.5 | Very low | 53.6 | Low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -64.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y181 R182 | A179-Y181 VanDerWaalsContact C-N 3.32Å; A179-Y181 PolarHBondContact O-N 3.3Å; A179-R182 PolarHBondContact O-N 3.42Å |
| 180 | E | 45.8 | Very low | 55.9 | Low | 143 Ų | 143 | 134.5 Ų | 134.5 | 67% | 0.668 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.3 | -28.3 | -170.8 | -155.3 | -157 | 105.6 | 0 | 0 | 113.7 | K184 | E180-K184 WeakPolarHBondContact O-CE 3.42Å; E180-K184 IonicContact OE1-NZ 3.33Å; E180-K184 PolarHBondContact OE1-NZ 3.42Å |
| 181 | Y | 49.2 | Very low | 58.1 | Low | 133 Ų | 133 | 131 Ų | 131 | 52% | 0.522 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -75.7 | -23.3 | 177.3 | -122.8 | -76.8 | 0 | 0 | 0 | 113.5 | A179 H185 | A179-Y181 VanDerWaalsContact C-N 3.32Å; A179-Y181 PolarHBondContact O-N 3.3Å; Y181-H185 PolarHBondContact O-CD2 2.96Å |
| 182 | R | 50.8 | Low | 60 | Low | 193 Ų | 193 | 126.9 Ų | 126.9 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.9 | -31.8 | -176.5 | -82.9 | -175.1 | 172 | -116.9 | -3.9 | 113.4 | N178 A179 H185 | N178-R182 VanDerWaalsContact O-CD 3.28Å; N178-R182 WeakPolarHBondContact O-CD 3.27Å; N178-R182 VanDerWaalsContact O-CG 3.24Å; N178-R182 WeakPolarHBondContact O-CG 3.24Å; A179-R182 PolarHBondContact O-N 3.42Å; R182-H185 PolarHBondContact O-N 3.49Å |
| 183 | D | 55.1 | Low | 61.9 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 66% | 0.663 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.7 | -30.9 | -176.7 | -158.2 | 23.1 | 0 | 0 | 0 | 112.5 | H185 S186 | D183-H185 PolarHBondContact O-N 3.11Å; D183-S186 WeakPolarHBondContact O-CB 3.4Å; D183-S186 PolarHBondContact O-N 2.85Å |
| 184 | K | 62.4 | Low | 64.1 | Low | 101 Ų | 101 | 117 Ų | 117 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59 | -20.5 | 174.4 | -61.8 | 173.1 | -168.4 | 171.3 | 0 | 113 | E180 C197 | E180-K184 WeakPolarHBondContact O-CE 3.42Å; E180-K184 IonicContact OE1-NZ 3.33Å; E180-K184 PolarHBondContact OE1-NZ 3.42Å; K184-C197 VanDerWaalsContact O-CB 3.31Å; K184-C197 WeakPolarHBondContact O-CB 3.34Å |
| 185 | H | 73.1 | Confident | 65.9 | Low | 68 Ų | 68 | 109.8 Ų | 109.8 | 32% | 0.315 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.5 | 6.6 | 175.8 | -56.2 | -53.9 | 0 | 0 | 0 | 114.7 | Y181 R182 D183 K187 C195 C197 E199 | Y181-H185 PolarHBondContact O-CD2 2.96Å; R182-H185 PolarHBondContact O-N 3.49Å; D183-H185 PolarHBondContact O-N 3.11Å; H185-K187 PolarHBondContact O-N 2.89Å; H185-C195 VanDerWaalsContact CA-SG 3.56Å; H185-C195 PolarHBondContact O-SG 3.29Å; H185-C197 PolarHBondContact ND1-SG 2.92Å; H185-E199 IonicContact CE1-OE2 2.66Å |
| 186 | S | 74.3 | Confident | 68.5 | Low | 75 Ų | 75 | 105.5 Ų | 105.5 | 52% | 0.524 | 53% | 0.533 | S | S | . | . | trans | -60.4 | -42.7 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 113.6 | D183 R188 | D183-S186 WeakPolarHBondContact O-CB 3.4Å; D183-S186 PolarHBondContact O-N 2.85Å; S186-R188 PolarHBondContact O-N 2.76Å | ||
| 187 | K | 79.5 | Confident | 70.8 | Confident | 170 Ų | 170 | 101.6 Ų | 101.6 | 74% | 0.739 | 51% | 0.507 | S | S | * | . | trans | -71.9 | 94 | -177 | -65 | -176.2 | -178.1 | 178.8 | 0 | 112 | H185 K196 | H185-K187 PolarHBondContact O-N 2.89Å; K187-K196 WeakPolarHBondContact O-CB 3.09Å; K187-K196 PolarHBondContact O-N 3.45Å | ||
| 188 | R | 86 | Confident | 72.6 | Confident | 180 Ų | 180 | 98.9 Ų | 98.9 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -88.1 | 173.1 | 172.1 | -64.4 | 179.3 | -171.5 | 176.4 | 2.7 | 112.2 | S186 R194 K196 | S186-R188 PolarHBondContact O-N 2.76Å; R188-R194 WeakPolarHBondContact CA-O 3.01Å; R188-K196 WeakPolarHBondContact O-CD 3.47Å; R188-K196 VanDerWaalsContact O-CE 3.28Å; R188-K196 WeakPolarHBondContact O-CE 3.45Å; R188-K196 PolarHBondContact O-NZ 3.44Å |
| 189 | C | 85.7 | Confident | 74.3 | Confident | 12 Ų | 12 | 97.4 Ų | 97.4 | 8% | 0.081 | 49% | 0.491 | C | S | . | . | trans | -107.7 | 125.6 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | S191 C192 G193 R194 K196 C302 | C189-S191 VanDerWaalsContact C-N 3.26Å; C189-S191 PolarHBondContact O-N 3.47Å; C189-S191 PolarHBondContact SG-OG 3.01Å; C189-S191 VanDerWaalsContact SG-OG 3.33Å; C189-C192 PolarHBondContact O-N 2.7Å; C189-G193 WeakPolarHBondContact O-CA 3.19Å; C189-G193 PolarHBondContact O-N 3.26Å; C189-R194 PolarHBondContact N-O 3.29Å; C189-K196 VanDerWaalsContact CA-CE 3.48Å; C189-K196 HydrophobicContact CB-CD 4.31Å; C189-K196 HydrophobicContact CB-CG 4.02Å; C189-C302 HydrophobicContact CB-CB 3.94Å; C189-C302 WeakPolarHBondContact CB-SG 2.9Å | ||
| 190 | E | 85.1 | Confident | 76.1 | Confident | 168 Ų | 168 | 93.9 Ų | 93.9 | 79% | 0.785 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.1 | -177.7 | -53.2 | 97.8 | -93.1 | 0 | 0 | 113.4 | K196 | E190-K196 IonicContact OE1-NZ 2.85Å; E190-K196 PolarHBondContact OE1-NZ 3.25Å |
| 191 | S | 82.3 | Confident | 78 | Confident | 77 Ų | 77 | 89.8 Ų | 89.8 | 54% | 0.538 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -18.5 | -178.6 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | C189 C304 | C189-S191 VanDerWaalsContact C-N 3.26Å; C189-S191 PolarHBondContact O-N 3.47Å; C189-S191 PolarHBondContact SG-OG 3.01Å; C189-S191 VanDerWaalsContact SG-OG 3.33Å; S191-C304 PolarHBondContact OG-SG 2.99Å |
| 192 | C | 84 | Confident | 79.7 | Confident | 44 Ų | 44 | 88.7 Ų | 88.7 | 30% | 0.297 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -8.4 | -170.3 | 96.5 | 0 | 0 | 0 | 0 | 114.8 | C189 R194 C302 | C189-C192 PolarHBondContact O-N 2.7Å; C192-R194 PolarHBondContact O-N 3.38Å; C192-R194 VanDerWaalsContact SG-CB 3.58Å; C192-R194 PolarHBondContact SG-N 2.06Å; C192-R194 VanDerWaalsContact SG-N 3.43Å; C192-C302 WeakPolarHBondContact CB-SG 3.45Å; C192-C302 WeakPolarHBondContact SG-CB 3.42Å; C192-C302 CovalentContact SG-SG 2.04Å; C192-C302 PolarHBondContact SG-SG 3.09Å |
| 193 | G | 81.3 | Confident | 81.3 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 51% | 0.505 | 44% | 0.437 | S | S | . | . | trans | 70 | -27.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | C189 | C189-G193 WeakPolarHBondContact O-CA 3.19Å; C189-G193 PolarHBondContact O-N 3.26Å | ||
| 194 | R | 86.8 | Confident | 82.8 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -68.3 | 158.4 | -177.2 | -52.8 | -177.5 | -173.4 | -157.1 | 0.2 | 112.6 | R188 C189 C192 R299 G301 C302 | R188-R194 WeakPolarHBondContact CA-O 3.01Å; C189-R194 PolarHBondContact N-O 3.29Å; C192-R194 PolarHBondContact O-N 3.38Å; C192-R194 VanDerWaalsContact SG-CB 3.58Å; C192-R194 PolarHBondContact SG-N 2.06Å; C192-R194 VanDerWaalsContact SG-N 3.43Å; R194-R299 PolarHBondContact NH1-O 3.49Å; R194-G301 WeakPolarHBondContact CD-O 3.29Å; R194-C302 HydrophobicContact CB-CB 4.08Å |
| 195 | C | 89.4 | Confident | 83.9 | Confident | 19 Ų | 19 | 80.4 Ų | 80.4 | 13% | 0.128 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 145.2 | 180 | -167.3 | 0 | 0 | 0 | 0 | 112.7 | H185 C197 C200 G301 C302 | H185-C195 VanDerWaalsContact CA-SG 3.56Å; H185-C195 PolarHBondContact O-SG 3.29Å; C195-C197 PolarHBondContact SG-N 2.81Å; C195-C197 VanDerWaalsContact SG-N 3.41Å; C195-C200 HydrophobicContact CB-CB 4.19Å; C195-C200 VanDerWaalsContact CB-SG 3.59Å; C195-C200 PolarHBondContact SG-SG 3.38Å; C195-G301 CarbonylContact O-C 3.56Å; C195-G301 VanDerWaalsContact O-CA 3.29Å; C195-G301 WeakPolarHBondContact O-CA 3.49Å; C195-C302 PolarHBondContact O-N 2.96Å |
| 196 | K | 86.9 | Confident | 84.4 | Confident | 99 Ų | 99 | 79.1 Ų | 79.1 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | trans | -98 | 5.7 | 175.3 | -63.2 | 170.9 | 172.7 | 145.3 | 0 | 113 | K187 R188 C189 E190 | K187-K196 WeakPolarHBondContact O-CB 3.09Å; K187-K196 PolarHBondContact O-N 3.45Å; R188-K196 WeakPolarHBondContact O-CD 3.47Å; R188-K196 VanDerWaalsContact O-CE 3.28Å; R188-K196 WeakPolarHBondContact O-CE 3.45Å; R188-K196 PolarHBondContact O-NZ 3.44Å; C189-K196 VanDerWaalsContact CA-CE 3.48Å; C189-K196 HydrophobicContact CB-CD 4.31Å; C189-K196 HydrophobicContact CB-CG 4.02Å; E190-K196 IonicContact OE1-NZ 2.85Å; E190-K196 PolarHBondContact OE1-NZ 3.25Å | ||
| 197 | C | 86.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 79.7 Ų | 79.7 | 10% | 0.101 | 43% | 0.426 | C | S | . | . | trans | -60.7 | 156.7 | -178.2 | 93 | 0 | 0 | 0 | 0 | 112.2 | K184 H185 C195 C200 V201 | K184-C197 VanDerWaalsContact O-CB 3.31Å; K184-C197 WeakPolarHBondContact O-CB 3.34Å; H185-C197 PolarHBondContact ND1-SG 2.92Å; C195-C197 PolarHBondContact SG-N 2.81Å; C195-C197 VanDerWaalsContact SG-N 3.41Å; C197-C200 HydrophobicContact CB-CB 4.13Å; C197-C200 WeakPolarHBondContact CB-SG 3.07Å; C197-C200 CarbonylContact O-C 3.42Å; C197-C200 VanDerWaalsContact O-CB 3.28Å; C197-C200 WeakPolarHBondContact O-CB 3.44Å; C197-C200 PolarHBondContact O-N 3.44Å; C197-C200 WeakPolarHBondContact SG-CB 3.5Å; C197-C200 PolarHBondContact SG-N 2.84Å; C197-C200 CovalentContact SG-SG 2.06Å; C197-C200 PolarHBondContact SG-SG 2.93Å; C197-V201 WeakPolarHBondContact O-CA 3.28Å; C197-V201 PolarHBondContact O-N 3Å | ||
| 198 | S | 82.8 | Confident | 85.4 | Confident | 98 Ų | 98 | 74.8 Ų | 74.8 | 69% | 0.685 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | -178.8 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | C200 V201 Q202 | S198-C200 VanDerWaalsContact C-N 3.27Å; S198-C200 PolarHBondContact O-N 3.16Å; S198-V201 CarbonylContact O-C 3.55Å; S198-V201 WeakPolarHBondContact O-CA 3.36Å; S198-V201 PolarHBondContact O-N 3.39Å; S198-Q202 PolarHBondContact O-N 2.79Å |
| 199 | E | 86.1 | Confident | 85.3 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 176.9 | -59.4 | 159.4 | -150.2 | 0 | 0 | 112.6 | H185 R204 | H185-E199 IonicContact CE1-OE2 2.66Å; E199-R204 PolarHBondContact O-NH2 3.47Å |
| 200 | C | 84.9 | Confident | 85.3 | Confident | 9 Ų | 9 | 74.7 Ų | 74.7 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73 | -37.6 | 171.7 | -44.8 | 0 | 0 | 0 | 0 | 110.4 | C195 C197 S198 Q202 R299 G301 | C195-C200 HydrophobicContact CB-CB 4.19Å; C195-C200 VanDerWaalsContact CB-SG 3.59Å; C195-C200 PolarHBondContact SG-SG 3.38Å; C197-C200 HydrophobicContact CB-CB 4.13Å; C197-C200 WeakPolarHBondContact CB-SG 3.07Å; C197-C200 CarbonylContact O-C 3.42Å; C197-C200 VanDerWaalsContact O-CB 3.28Å; C197-C200 WeakPolarHBondContact O-CB 3.44Å; C197-C200 PolarHBondContact O-N 3.44Å; C197-C200 WeakPolarHBondContact SG-CB 3.5Å; C197-C200 PolarHBondContact SG-N 2.84Å; C197-C200 CovalentContact SG-SG 2.06Å; C197-C200 PolarHBondContact SG-SG 2.93Å; S198-C200 VanDerWaalsContact C-N 3.27Å; S198-C200 PolarHBondContact O-N 3.16Å; C200-Q202 VanDerWaalsContact C-N 3.28Å; C200-Q202 PolarHBondContact O-N 2.68Å; C200-R299 WeakPolarHBondContact O-CG 3.19Å; C200-G301 VanDerWaalsContact O-CA 3.31Å; C200-G301 WeakPolarHBondContact O-CA 3.3Å; C200-G301 PolarHBondContact O-N 3.05Å |
| 201 | V | 85 | Confident | 85.2 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.1 | -28.6 | 180 | -171.4 | 0 | 0 | 0 | 0 | 114 | C197 S198 R299 C302 | C197-V201 WeakPolarHBondContact O-CA 3.28Å; C197-V201 PolarHBondContact O-N 3Å; S198-V201 CarbonylContact O-C 3.55Å; S198-V201 WeakPolarHBondContact O-CA 3.36Å; S198-V201 PolarHBondContact O-N 3.39Å; V201-R299 PolarHBondContact O-NH1 3.17Å; V201-C302 WeakPolarHBondContact CG2-O 3.46Å |
| 202 | Q | 85.4 | Confident | 85.2 | Confident | 109 Ų | 109 | 71.5 Ų | 71.5 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -81.9 | 139.8 | -160.9 | -164.5 | 173.6 | 11.3 | 0 | 0 | 112.4 | S198 C200 R204 | S198-Q202 PolarHBondContact O-N 2.79Å; C200-Q202 VanDerWaalsContact C-N 3.28Å; C200-Q202 PolarHBondContact O-N 2.68Å; Q202-R204 PolarHBondContact O-N 3.33Å |
| 203 | P | 84.5 | Confident | 85.1 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | trans | -58.6 | 132.2 | 169.7 | -21.3 | 32 | 0 | 0 | 0 | 111.7 | A205 D295 | P203-A205 PolarHBondContact O-N 2.71Å; P203-D295 VanDerWaalsContact CA-OD1 3.31Å; P203-D295 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 204 | R | 85.9 | Confident | 85.2 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 33% | 0.328 | 43% | 0.429 | S | S | . | . | trans | -89.6 | 104.6 | 175 | -66.7 | -57.3 | -173.4 | -154.2 | -5.2 | 110.6 | E199 Q202 Q291 Y294 D295 A298 R299 | E199-R204 PolarHBondContact O-NH2 3.47Å; Q202-R204 PolarHBondContact O-N 3.33Å; R204-Q291 PolarHBondContact O-NE2 2.92Å; R204-Y294 HydrophobicContact CB-CD1 4.41Å; R204-Y294 HydrophobicContact CB-CE1 4.06Å; R204-Y294 WeakPolarHBondContact O-CD1 3.42Å; R204-D295 PolarHBondContact N-OD1 3.24Å; R204-A298 HydrophobicContact CB-CB 4.49Å; R204-R299 HydrophobicContact CG-CB 4.49Å | ||
| 205 | A | 85.5 | Confident | 85 | Confident | 73 Ų | 73 | 80.4 Ų | 80.4 | 60% | 0.603 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 147.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | P203 Q291 Y294 | P203-A205 PolarHBondContact O-N 2.71Å; A205-Q291 VanDerWaalsContact CA-OE1 3.28Å; A205-Y294 VanDerWaalsContact O-CE1 3.3Å; A205-Y294 WeakPolarHBondContact O-CE1 3.21Å |
| 206 | L | 84.8 | Confident | 84.6 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 21% | 0.209 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 141.8 | 172.1 | -72.4 | 168.6 | 0 | 0 | 0 | 110.3 | S208 P220 Q291 Y294 | L206-S208 PolarHBondContact O-N 2.95Å; L206-P220 HydrophobicContact CB-CG 4.01Å; L206-P220 HydrophobicContact CD1-CB 4.21Å; L206-P220 HydrophobicContact CD1-CG 4.09Å; L206-Q291 HydrophobicContact CD1-CB 3.99Å; L206-Q291 HydrophobicContact CG-CB 4.17Å; L206-Y294 HydrophobicContact CD2-CD1 4.07Å; L206-Y294 HydrophobicContact CD2-CD2 4.42Å; L206-Y294 HydrophobicContact CD2-CG 3.82Å |
| 207 | P | 85.1 | Confident | 84.6 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 137.9 | -179.9 | 27.5 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 208 | S | 88.3 | Confident | 84.5 | Confident | 67 Ų | 67 | 83.4 Ų | 83.4 | 47% | 0.469 | 47% | 0.47 | S | S | . | . | trans | -109.7 | 148.3 | 165.1 | 57 | 0 | 0 | 0 | 0 | 109.4 | L206 C218 | L206-S208 PolarHBondContact O-N 2.95Å; S208-C218 CarbonylContact C-O 3.57Å; S208-C218 VanDerWaalsContact CA-O 3.26Å; S208-C218 WeakPolarHBondContact CA-O 3.37Å; S208-C218 WeakPolarHBondContact CB-O 3.31Å | ||
| 209 | C | 84.3 | Confident | 84.9 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.4 | -174.9 | 57.3 | 0 | 0 | 0 | 0 | 111.6 | M211 C218 | C209-M211 HydrophobicContact CB-CE 3.93Å; C209-M211 VanDerWaalsContact SG-CE 3.53Å; C209-C218 PolarHBondContact N-O 3.07Å; C209-C218 WeakPolarHBondContact O-CB 3.39Å; C209-C218 PolarHBondContact O-N 2.92Å |
| 210 | W | 85.8 | Confident | 85 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.2 | 179 | -74.9 | 100 | 0 | 0 | 0 | 110.9 | L217 | W210-L217 HydrophobicContact CD2-CB 4.22Å; W210-L217 HydrophobicContact CD2-CD1 4.02Å; W210-L217 HydrophobicContact CE3-CB 3.99Å; W210-L217 HydrophobicContact CG-CD1 4.23Å; W210-L217 HydrophobicContact CH2-CB 3.96Å; W210-L217 HydrophobicContact CZ2-CB 4.17Å; W210-L217 HydrophobicContact CZ2-CD1 4.28Å; W210-L217 HydrophobicContact CZ2-CD2 4.29Å; W210-L217 HydrophobicContact CZ2-CG 4.48Å; W210-L217 HydrophobicContact CZ3-CB 3.87Å |
| 211 | M | 83.4 | Confident | 85.3 | Confident | 97 Ų | 97 | 81.2 Ų | 81.2 | 48% | 0.478 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 175 | -176.9 | -67.2 | -63.7 | 154.7 | 0 | 0 | 111.3 | C209 G213 Q214 R215 C216 C218 | C209-M211 HydrophobicContact CB-CE 3.93Å; C209-M211 VanDerWaalsContact SG-CE 3.53Å; M211-G213 PolarHBondContact O-N 3.1Å; M211-G213 VanDerWaalsContact O-N 3.1Å; M211-Q214 PolarHBondContact O-N 2.79Å; M211-R215 PolarHBondContact O-N 2.87Å; M211-R215 VanDerWaalsContact O-N 3.09Å; M211-C216 HydrophobicContact CB-CB 4.42Å; M211-C216 PolarHBondContact N-O 3.37Å; M211-C216 PolarHBondContact O-N 3.29Å; M211-C216 VanDerWaalsContact O-N 3.1Å; M211-C218 HydrophobicContact CG-CB 4.25Å |
| 212 | C | 82.3 | Confident | 85.4 | Confident | 80 Ų | 80 | 82.5 Ų | 82.5 | 54% | 0.541 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 24.8 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 114.8 | R215 C216 | C212-R215 HydrophobicContact CB-CB 4.35Å; C212-R215 PolarHBondContact O-NE 2.77Å; C212-R215 PolarHBondContact O-NH2 3.03Å; C212-C216 HydrophobicContact CB-CB 4.28Å |
| 213 | G | 81.9 | Confident | 85.6 | Confident | 66 Ų | 66 | 80 Ų | 80 | 68% | 0.68 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 57.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M211 R215 | M211-G213 PolarHBondContact O-N 3.1Å; M211-G213 VanDerWaalsContact O-N 3.1Å; G213-R215 PolarHBondContact O-N 2.84Å |
| 214 | Q | 82.8 | Confident | 86 | Confident | 136 Ų | 136 | 77.1 Ų | 77.1 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 22.2 | -177.9 | -53.7 | -63.7 | -39.6 | 0 | 0 | 114.8 | M211 | M211-Q214 PolarHBondContact O-N 2.79Š|
| 215 | R | 82.3 | Confident | 86.2 | Confident | 199 Ų | 199 | 74.1 Ų | 74.1 | 75% | 0.751 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -20.6 | -179.3 | -71.8 | -176.6 | -66.6 | 167.6 | 0.3 | 114.5 | M211 C212 G213 | M211-R215 PolarHBondContact O-N 2.87Å; M211-R215 VanDerWaalsContact O-N 3.09Å; C212-R215 HydrophobicContact CB-CB 4.35Å; C212-R215 PolarHBondContact O-NE 2.77Å; C212-R215 PolarHBondContact O-NH2 3.03Å; G213-R215 PolarHBondContact O-N 2.84Å |
| 216 | C | 82.7 | Confident | 86.3 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 114 | -178.3 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | M211 C212 C218 | M211-C216 HydrophobicContact CB-CB 4.42Å; M211-C216 PolarHBondContact N-O 3.37Å; M211-C216 PolarHBondContact O-N 3.29Å; M211-C216 VanDerWaalsContact O-N 3.1Å; C212-C216 HydrophobicContact CB-CB 4.28Å; C216-C218 PolarHBondContact O-N 2.95Å |
| 217 | L | 86.1 | Confident | 86.4 | Confident | 75 Ų | 75 | 78.6 Ų | 78.6 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 101.8 | 171.8 | -179 | 58.5 | 0 | 0 | 0 | 109.7 | W210 S219 | W210-L217 HydrophobicContact CD2-CB 4.22Å; W210-L217 HydrophobicContact CD2-CD1 4.02Å; W210-L217 HydrophobicContact CE3-CB 3.99Å; W210-L217 HydrophobicContact CG-CD1 4.23Å; W210-L217 HydrophobicContact CH2-CB 3.96Å; W210-L217 HydrophobicContact CZ2-CB 4.17Å; W210-L217 HydrophobicContact CZ2-CD1 4.28Å; W210-L217 HydrophobicContact CZ2-CD2 4.29Å; W210-L217 HydrophobicContact CZ2-CG 4.48Å; W210-L217 HydrophobicContact CZ3-CB 3.87Å; L217-S219 PolarHBondContact O-N 3.49Å |
| 218 | C | 85.4 | Confident | 86.7 | Confident | 60 Ų | 60 | 75 Ų | 75 | 41% | 0.405 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 104.6 | 170.5 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | S208 C209 M211 C216 | S208-C218 CarbonylContact C-O 3.57Å; S208-C218 VanDerWaalsContact CA-O 3.26Å; S208-C218 WeakPolarHBondContact CA-O 3.37Å; S208-C218 WeakPolarHBondContact CB-O 3.31Å; C209-C218 PolarHBondContact N-O 3.07Å; C209-C218 WeakPolarHBondContact O-CB 3.39Å; C209-C218 PolarHBondContact O-N 2.92Å; M211-C218 HydrophobicContact CG-CB 4.25Å; C216-C218 PolarHBondContact O-N 2.95Å |
| 219 | S | 89.6 | Confident | 86.8 | Confident | 23 Ų | 23 | 73.3 Ų | 73.3 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | trans | -113.6 | 151.3 | 165.5 | 72.9 | 0 | 0 | 0 | 0 | 110.1 | L217 D221 K222 A223 | L217-S219 PolarHBondContact O-N 3.49Å; S219-D221 VanDerWaalsContact C-N 3.27Å; S219-D221 PolarHBondContact O-N 3.5Å; S219-K222 PolarHBondContact O-N 3.37Å; S219-K222 WeakPolarHBondContact OG-CG 3.28Å; S219-K222 PolarHBondContact OG-N 3.49Å; S219-A223 PolarHBondContact O-N 2.77Å | ||
| 220 | P | 89.9 | Confident | 87.1 | Confident | 40 Ų | 40 | 70.6 Ų | 70.6 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.3 | -38.7 | 179.3 | -27 | 36.4 | 0 | 0 | 0 | 113.2 | L206 K222 A223 V224 L287 | L206-P220 HydrophobicContact CB-CG 4.01Å; L206-P220 HydrophobicContact CD1-CB 4.21Å; L206-P220 HydrophobicContact CD1-CG 4.09Å; P220-K222 PolarHBondContact O-N 2.91Å; P220-A223 PolarHBondContact O-N 2.93Å; P220-V224 PolarHBondContact O-N 2.84Å; P220-L287 HydrophobicContact CB-CD2 3.43Å; P220-L287 VanDerWaalsContact CB-CD2 3.43Å |
| 221 | D | 90.1 | Very high | 87.1 | Confident | 72 Ų | 72 | 66.3 Ų | 66.3 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 172.5 | -77.1 | -88.5 | 0 | 0 | 0 | 113 | S219 V224 E225 K284 | S219-D221 VanDerWaalsContact C-N 3.27Å; S219-D221 PolarHBondContact O-N 3.5Å; D221-V224 PolarHBondContact O-N 3.2Å; D221-E225 WeakPolarHBondContact O-CG 3.15Å; D221-E225 PolarHBondContact O-N 3.44Å; D221-K284 IonicContact OD1-NZ 2.64Å; D221-K284 PolarHBondContact OD1-NZ 3.4Å |
| 222 | K | 88.6 | Confident | 87.4 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 37% | 0.365 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 178.9 | -70.6 | -69.5 | 166 | -165.7 | 0 | 111.9 | S219 P220 V224 E225 Y226 | S219-K222 PolarHBondContact O-N 3.37Å; S219-K222 WeakPolarHBondContact OG-CG 3.28Å; S219-K222 PolarHBondContact OG-N 3.49Å; P220-K222 PolarHBondContact O-N 2.91Å; K222-V224 VanDerWaalsContact C-N 3.3Å; K222-V224 PolarHBondContact O-N 3.4Å; K222-E225 IonicContact NZ-OE2 3.63Å; K222-E225 PolarHBondContact NZ-OE2 2.88Å; K222-E225 PolarHBondContact O-N 3.46Å; K222-Y226 HydrophobicContact CB-CD2 4.3Å; K222-Y226 HydrophobicContact CB-CE2 4.07Å; K222-Y226 HydrophobicContact CD-CE2 4.18Å; K222-Y226 WeakPolarHBondContact O-CD2 3.35Å; K222-Y226 PolarHBondContact O-N 3.45Å |
| 223 | A | 89.4 | Confident | 87.6 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S219 P220 G227 | S219-A223 PolarHBondContact O-N 2.77Å; P220-A223 PolarHBondContact O-N 2.93Å; A223-G227 PolarHBondContact O-N 3.04Å |
| 224 | V | 91.6 | Very high | 88 | Confident | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 173.6 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | P220 D221 K222 Y226 G227 T228 Y280 L287 | P220-V224 PolarHBondContact O-N 2.84Å; D221-V224 PolarHBondContact O-N 3.2Å; K222-V224 VanDerWaalsContact C-N 3.3Å; K222-V224 PolarHBondContact O-N 3.4Å; V224-Y226 VanDerWaalsContact C-N 3.32Å; V224-Y226 PolarHBondContact O-N 3.48Å; V224-G227 PolarHBondContact O-N 3.14Å; V224-T228 HydrophobicContact CG1-CG2 4.08Å; V224-T228 WeakPolarHBondContact O-CB 3.31Å; V224-T228 WeakPolarHBondContact O-CG2 3.2Å; V224-T228 PolarHBondContact O-N 3.06Å; V224-T228 PolarHBondContact O-OG1 3.24Å; V224-Y280 HydrophobicContact CG1-CD2 3.98Å; V224-Y280 HydrophobicContact CG1-CE2 4.43Å; V224-L287 HydrophobicContact CB-CD1 3.97Å; V224-L287 HydrophobicContact CG2-CD1 3.6Å; V224-L287 HydrophobicContact CG2-CD2 4.29Å; V224-L287 HydrophobicContact CG2-CG 3.87Å |
| 225 | E | 89.8 | Confident | 88.1 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 179.9 | -75.3 | -169.2 | 159.8 | 0 | 0 | 113.8 | D221 K222 V230 C231 K234 Y280 | D221-E225 WeakPolarHBondContact O-CG 3.15Å; D221-E225 PolarHBondContact O-N 3.44Å; K222-E225 IonicContact NZ-OE2 3.63Å; K222-E225 PolarHBondContact NZ-OE2 2.88Å; K222-E225 PolarHBondContact O-N 3.46Å; E225-V230 PolarHBondContact O-N 3.3Å; E225-V230 VanDerWaalsContact O-N 3.11Å; E225-C231 PolarHBondContact O-N 3.1Å; E225-K234 IonicContact OE1-NZ 2.95Å; E225-K234 PolarHBondContact OE1-NZ 3.39Å; E225-K234 IonicContact OE2-NZ 3.47Å; E225-K234 PolarHBondContact OE2-NZ 3.33Å; E225-K234 VanDerWaalsContact OE2-NZ 3.15Å; E225-Y280 HydrophobicContact CG-CE2 4.37Å |
| 226 | Y | 88.3 | Confident | 88.3 | Confident | 149 Ų | 149 | 48.4 Ų | 48.4 | 58% | 0.584 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -79.4 | -45.9 | 175.2 | -65.4 | -60.4 | 0 | 0 | 0 | 112.1 | K222 V224 T228 C229 C231 | K222-Y226 HydrophobicContact CB-CD2 4.3Å; K222-Y226 HydrophobicContact CB-CE2 4.07Å; K222-Y226 HydrophobicContact CD-CE2 4.18Å; K222-Y226 WeakPolarHBondContact O-CD2 3.35Å; K222-Y226 PolarHBondContact O-N 3.45Å; V224-Y226 VanDerWaalsContact C-N 3.32Å; V224-Y226 PolarHBondContact O-N 3.48Å; Y226-T228 VanDerWaalsContact C-N 3.26Å; Y226-T228 PolarHBondContact O-N 3.14Å; Y226-C229 PolarHBondContact O-N 2.96Å; Y226-C231 HydrophobicContact CD1-CB 3.72Å; Y226-C231 HydrophobicContact CE1-CB 3.96Å |
| 227 | G | 87.7 | Confident | 88.5 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.8 | -21.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A223 V224 | A223-G227 PolarHBondContact O-N 3.04Å; V224-G227 PolarHBondContact O-N 3.14Å |
| 228 | T | 91.1 | Very high | 88.3 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 16.7 | 177.2 | 62.8 | 0 | 0 | 0 | 0 | 113 | V224 Y226 V230 C276 L277 C279 Y280 | V224-T228 HydrophobicContact CG1-CG2 4.08Å; V224-T228 WeakPolarHBondContact O-CB 3.31Å; V224-T228 WeakPolarHBondContact O-CG2 3.2Å; V224-T228 PolarHBondContact O-N 3.06Å; V224-T228 PolarHBondContact O-OG1 3.24Å; Y226-T228 VanDerWaalsContact C-N 3.26Å; Y226-T228 PolarHBondContact O-N 3.14Å; T228-V230 PolarHBondContact O-N 3.27Å; T228-C276 VanDerWaalsContact CB-O 3.3Å; T228-C276 WeakPolarHBondContact CB-O 3.48Å; T228-C276 CarbonylContact O-C 3.46Å; T228-L277 PolarHBondContact O-N 2.89Å; T228-C279 HydrophobicContact CG2-CB 4.01Å; T228-Y280 WeakPolarHBondContact OG1-CD2 3.38Å |
| 229 | C | 89.3 | Confident | 88.2 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 13.9 | 176.5 | -42.6 | 0 | 0 | 0 | 0 | 115.1 | Y226 C231 C232 C274 C276 L277 | Y226-C229 PolarHBondContact O-N 2.96Å; C229-C231 PolarHBondContact O-N 3.26Å; C229-C232 VanDerWaalsContact O-CB 3.27Å; C229-C232 WeakPolarHBondContact O-CB 3.5Å; C229-C232 PolarHBondContact O-N 3.09Å; C229-C274 HydrophobicContact CB-CB 4.34Å; C229-C276 HydrophobicContact CB-CB 4.14Å; C229-C276 WeakPolarHBondContact CB-SG 3.27Å; C229-C276 WeakPolarHBondContact SG-CB 3.31Å; C229-C276 CovalentContact SG-SG 2.05Å; C229-C276 PolarHBondContact SG-SG 3.28Å; C229-L277 HydrophobicContact CB-CD1 3.76Å |
| 230 | V | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.6 | -21.6 | 178.9 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | E225 T228 C232 L233 K234 P252 F253 Y280 | E225-V230 PolarHBondContact O-N 3.3Å; E225-V230 VanDerWaalsContact O-N 3.11Å; T228-V230 PolarHBondContact O-N 3.27Å; V230-C232 PolarHBondContact O-N 2.93Å; V230-L233 PolarHBondContact O-N 3.33Å; V230-K234 WeakPolarHBondContact O-CG 3.43Å; V230-K234 PolarHBondContact O-N 2.97Å; V230-P252 HydrophobicContact CG1-CG 4.46Å; V230-F253 HydrophobicContact CG1-CE2 4.37Å; V230-F253 HydrophobicContact CG2-CE2 4.33Å; V230-F253 HydrophobicContact CG2-CZ 4.21Å; V230-Y280 HydrophobicContact CB-CD2 4.26Å; V230-Y280 HydrophobicContact CB-CE2 4.44Å; V230-Y280 HydrophobicContact CG1-CE2 4.27Å; V230-Y280 HydrophobicContact CG2-CD1 4.28Å; V230-Y280 HydrophobicContact CG2-CD2 3.58Å; V230-Y280 HydrophobicContact CG2-CE2 4.12Å; V230-Y280 HydrophobicContact CG2-CG 3.64Å |
| 231 | C | 87.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -53.5 | -39.1 | 163.9 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | E225 Y226 C229 K234 G235 | E225-C231 PolarHBondContact O-N 3.1Å; Y226-C231 HydrophobicContact CD1-CB 3.72Å; Y226-C231 HydrophobicContact CE1-CB 3.96Å; C229-C231 PolarHBondContact O-N 3.26Å; C231-K234 PolarHBondContact O-N 3.34Å; C231-G235 PolarHBondContact O-N 3.39Å |
| 232 | C | 87.9 | Confident | 85.2 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 46% | 0.459 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 178.2 | -55 | 0 | 0 | 0 | 0 | 111.4 | C229 V230 K234 G235 I236 | C229-C232 VanDerWaalsContact O-CB 3.27Å; C229-C232 WeakPolarHBondContact O-CB 3.5Å; C229-C232 PolarHBondContact O-N 3.09Å; V230-C232 PolarHBondContact O-N 2.93Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 3.22Å; C232-G235 PolarHBondContact O-N 3.21Å; C232-I236 WeakPolarHBondContact O-CG1 3.29Å; C232-I236 PolarHBondContact O-N 3.28Å |
| 233 | L | 88.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 171 | -85 | 177.3 | 0 | 0 | 0 | 111.8 | V230 G235 I236 F237 F253 I267 C270 L277 | V230-L233 PolarHBondContact O-N 3.33Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 3.47Å; L233-I236 PolarHBondContact O-N 2.93Å; L233-F237 HydrophobicContact CD2-CE2 4.13Å; L233-F237 WeakPolarHBondContact O-CB 3.17Å; L233-F237 WeakPolarHBondContact O-CD2 3.31Å; L233-F237 PolarHBondContact O-N 2.93Å; L233-F253 HydrophobicContact CD1-CE1 4.25Å; L233-F253 HydrophobicContact CD1-CZ 3.88Å; L233-I267 HydrophobicContact CD1-CG1 4.45Å; L233-I267 HydrophobicContact CD2-CG1 4.15Å; L233-C270 HydrophobicContact CD2-CB 3.73Å; L233-C270 HydrophobicContact CG-CB 4.41Å; L233-L277 HydrophobicContact CD1-CD2 3.56Å; L233-L277 HydrophobicContact CD1-CG 3.92Å; L233-L277 HydrophobicContact CD2-CD2 4.25Å; L233-L277 HydrophobicContact CG-CD2 3.85Å; L233-L277 HydrophobicContact CG-CG 4.4Å |
| 234 | K | 88.5 | Confident | 82.4 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.6 | -67.9 | -151.7 | 175.4 | 76.6 | 0 | 111.7 | E225 V230 C231 C232 F237 Y238 A249 | E225-K234 IonicContact OE1-NZ 2.95Å; E225-K234 PolarHBondContact OE1-NZ 3.39Å; E225-K234 IonicContact OE2-NZ 3.47Å; E225-K234 PolarHBondContact OE2-NZ 3.33Å; E225-K234 VanDerWaalsContact OE2-NZ 3.15Å; V230-K234 WeakPolarHBondContact O-CG 3.43Å; V230-K234 PolarHBondContact O-N 2.97Å; C231-K234 PolarHBondContact O-N 3.34Å; C232-K234 VanDerWaalsContact C-N 3.34Å; C232-K234 PolarHBondContact O-N 3.22Å; K234-F237 PolarHBondContact O-N 3.38Å; K234-Y238 WeakPolarHBondContact O-CB 3.26Å; K234-Y238 PolarHBondContact O-N 3.08Å; K234-A249 WeakPolarHBondContact CD-O 3.45Å; K234-A249 VanDerWaalsContact CE-O 3.29Å; K234-A249 WeakPolarHBondContact CE-O 3.08Å; K234-A249 VanDerWaalsContact CG-O 3.26Å; K234-A249 WeakPolarHBondContact CG-O 3.34Å |
| 235 | G | 86.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C231 C232 L233 Y238 H239 | C231-G235 PolarHBondContact O-N 3.39Å; C232-G235 PolarHBondContact O-N 3.21Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 3.47Å; G235-Y238 WeakPolarHBondContact O-CB 3.38Å; G235-Y238 PolarHBondContact O-N 2.05Å; G235-H239 PolarHBondContact O-CD2 3Å; G235-H239 VanDerWaalsContact O-CD2 3.23Å; G235-H239 PolarHBondContact O-N 2.6Å |
| 236 | I | 85.9 | Confident | 79.5 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 33% | 0.328 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -46 | 174.8 | -67 | 165.4 | 0 | 0 | 0 | 110.1 | C232 L233 Y238 H239 C240 T266 C270 | C232-I236 WeakPolarHBondContact O-CG1 3.29Å; C232-I236 PolarHBondContact O-N 3.28Å; L233-I236 PolarHBondContact O-N 2.93Å; I236-Y238 VanDerWaalsContact C-N 3.29Å; I236-Y238 PolarHBondContact O-N 2.91Å; I236-H239 PolarHBondContact O-N 3.38Å; I236-C240 WeakPolarHBondContact O-CB 3.45Å; I236-C240 PolarHBondContact O-N 2.66Å; I236-C240 PolarHBondContact O-SG 3.14Å; I236-C240 VanDerWaalsContact O-SG 3.34Å; I236-T266 HydrophobicContact CG2-CG2 3.82Å; I236-C270 VanDerWaalsContact CD1-SG 3.59Å |
| 237 | F | 85.8 | Confident | 78.4 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.9 | -28.8 | 176.8 | -77.1 | -48.3 | 0 | 0 | 0 | 113.8 | L233 K234 S241 C248 A249 P252 R263 T266 I267 | L233-F237 HydrophobicContact CD2-CE2 4.13Å; L233-F237 WeakPolarHBondContact O-CB 3.17Å; L233-F237 WeakPolarHBondContact O-CD2 3.31Å; L233-F237 PolarHBondContact O-N 2.93Å; K234-F237 PolarHBondContact O-N 3.38Å; F237-S241 WeakPolarHBondContact O-CB 3.41Å; F237-S241 PolarHBondContact O-N 3.07Å; F237-S241 VanDerWaalsContact O-N 3.08Å; F237-C248 WeakPolarHBondContact CD1-SG 3.4Å; F237-A249 HydrophobicContact CB-CB 4.35Å; F237-P252 HydrophobicContact CD2-CB 3.81Å; F237-P252 HydrophobicContact CE2-CB 3.66Å; F237-R263 HydrophobicContact CE1-CB 4.07Å; F237-R263 HydrophobicContact CE1-CG 4.17Å; F237-R263 HydrophobicContact CZ-CB 4.06Å; F237-T266 HydrophobicContact CE1-CG2 4.16Å; F237-T266 HydrophobicContact CZ-CG2 4.23Å; F237-I267 HydrophobicContact CE2-CD1 4.36Å; F237-I267 HydrophobicContact CE2-CG1 4.09Å; F237-I267 HydrophobicContact CZ-CD1 4.18Å; F237-I267 HydrophobicContact CZ-CG1 3.94Å |
| 238 | Y | 83.5 | Confident | 77.3 | Confident | 164 Ų | 164 | 67 Ų | 67 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.9 | -46.9 | 171.5 | -179.9 | -107.2 | 0 | 0 | 0 | 111.6 | K234 G235 I236 S241 | K234-Y238 WeakPolarHBondContact O-CB 3.26Å; K234-Y238 PolarHBondContact O-N 3.08Å; G235-Y238 WeakPolarHBondContact O-CB 3.38Å; G235-Y238 PolarHBondContact O-N 2.05Å; I236-Y238 VanDerWaalsContact C-N 3.29Å; I236-Y238 PolarHBondContact O-N 2.91Å; Y238-S241 PolarHBondContact O-N 3.02Å |
| 239 | H | 83.1 | Confident | 76.2 | Confident | 156 Ų | 156 | 67.5 Ų | 67.5 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -75.2 | -21.2 | 178.1 | -71.3 | -62.8 | 0 | 0 | 0 | 114.8 | G235 I236 | G235-H239 PolarHBondContact O-CD2 3Å; G235-H239 VanDerWaalsContact O-CD2 3.23Å; G235-H239 PolarHBondContact O-N 2.6Å; I236-H239 PolarHBondContact O-N 3.38Å |
| 240 | C | 73.3 | Confident | 75.3 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.1 | 173 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | I236 | I236-C240 WeakPolarHBondContact O-CB 3.45Å; I236-C240 PolarHBondContact O-N 2.66Å; I236-C240 PolarHBondContact O-SG 3.14Å; I236-C240 VanDerWaalsContact O-SG 3.34Å |
| 241 | S | 71.8 | Confident | 74.4 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | trans | -76.7 | 129.6 | 164.2 | -154 | 0 | 0 | 0 | 0 | 108.7 | F237 Y238 D243 D246 | F237-S241 WeakPolarHBondContact O-CB 3.41Å; F237-S241 PolarHBondContact O-N 3.07Å; F237-S241 VanDerWaalsContact O-N 3.08Å; Y238-S241 PolarHBondContact O-N 3.02Å; S241-D243 PolarHBondContact OG-O 3.47Å; S241-D246 WeakPolarHBondContact OG-CB 3.2Å | ||
| 242 | N | 61.2 | Low | 73.6 | Confident | 153 Ų | 153 | 75.9 Ų | 75.9 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -94.6 | -1.5 | 178.4 | -159.7 | 104.4 | 0 | 0 | 0 | 111.9 | ||
| 243 | D | 59 | Low | 72.8 | Confident | 96 Ų | 96 | 75.7 Ų | 75.7 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -157.7 | 146.3 | -167 | -156.6 | 42.3 | 0 | 0 | 0 | 108.1 | S241 | S241-D243 PolarHBondContact OG-O 3.47Š|
| 244 | D | 59.2 | Low | 72 | Confident | 158 Ų | 158 | 77 Ų | 77 | 85% | 0.845 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.2 | -178.8 | 50.4 | -57 | 0 | 0 | 0 | 114.2 | D246 | D244-D246 VanDerWaalsContact C-N 3.31Å; D244-D246 PolarHBondContact O-N 3.28Å |
| 245 | E | 57.1 | Low | 70.8 | Confident | 154 Ų | 154 | 79.1 Ų | 79.1 | 72% | 0.72 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30.5 | 168.2 | -66.7 | -69.9 | 153.6 | 0 | 0 | 112.8 | T247 | E245-T247 PolarHBondContact O-N 2.74Å; E245-T247 PolarHBondContact O-OG1 2.73Å |
| 246 | D | 63 | Low | 69.8 | Low | 49 Ų | 49 | 82.8 Ų | 82.8 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | trans | -71.9 | 95.4 | -178.2 | -122.7 | -15.3 | 0 | 0 | 0 | 109.3 | S241 D244 C248 | S241-D246 WeakPolarHBondContact OG-CB 3.2Å; D244-D246 VanDerWaalsContact C-N 3.31Å; D244-D246 PolarHBondContact O-N 3.28Å; D246-C248 HydrophobicContact CB-CB 4.45Å; D246-C248 PolarHBondContact O-N 2.76Å | ||
| 247 | T | 66.6 | Low | 68.9 | Low | 65 Ų | 65 | 81.9 Ų | 81.9 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 46.5 | -179.6 | -31.6 | 0 | 0 | 0 | 0 | 112.6 | E245 D250 Q257 | E245-T247 PolarHBondContact O-N 2.74Å; E245-T247 PolarHBondContact O-OG1 2.73Å; T247-D250 HydrophobicContact CG2-CB 4.33Å; T247-Q257 PolarHBondContact O-NE2 3.15Å |
| 248 | C | 63.9 | Low | 67.9 | Low | 11 Ų | 11 | 85 Ų | 85 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -45.4 | -163.7 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | F237 D246 K251 R263 | F237-C248 WeakPolarHBondContact CD1-SG 3.4Å; D246-C248 HydrophobicContact CB-CB 4.45Å; D246-C248 PolarHBondContact O-N 2.76Å; C248-K251 CarbonylContact O-C 3.59Å; C248-R263 PolarHBondContact O-NH2 3.46Å; C248-R263 PolarHBondContact SG-NH1 3.33Å |
| 249 | A | 67.5 | Low | 67.2 | Low | 23 Ų | 23 | 84.2 Ų | 84.2 | 19% | 0.19 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K234 F237 P252 | K234-A249 WeakPolarHBondContact CD-O 3.45Å; K234-A249 VanDerWaalsContact CE-O 3.29Å; K234-A249 WeakPolarHBondContact CE-O 3.08Å; K234-A249 VanDerWaalsContact CG-O 3.26Å; K234-A249 WeakPolarHBondContact CG-O 3.34Å; F237-A249 HydrophobicContact CB-CB 4.35Å; A249-P252 WeakPolarHBondContact O-CD 3.44Å |
| 250 | D | 71.3 | Confident | 66.9 | Low | 116 Ų | 116 | 79 Ų | 79 | 62% | 0.62 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -37.4 | 179.2 | -73.9 | -43.4 | 0 | 0 | 0 | 113 | T247 P252 | T247-D250 HydrophobicContact CG2-CB 4.33Å; D250-P252 VanDerWaalsContact C-CD 3.42Å; D250-P252 WeakPolarHBondContact O-CD 3.46Å |
| 251 | K | 71.2 | Confident | 67.2 | Low | 128 Ų | 128 | 79.7 Ų | 79.7 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | trans | -126.8 | 63.4 | -173.6 | -67.4 | 164.4 | -173.5 | 151.3 | 0 | 110.1 | C248 F253 S254 R263 | C248-K251 CarbonylContact O-C 3.59Å; K251-F253 PolarHBondContact O-N 3.33Å; K251-F253 VanDerWaalsContact O-N 3.11Å; K251-S254 WeakPolarHBondContact O-CB 3.1Å; K251-S254 PolarHBondContact O-N 3.18Å; K251-R263 PolarHBondContact O-NH2 3Å; K251-R263 VanDerWaalsContact O-NH2 3.07Å | ||
| 252 | P | 70.2 | Confident | 67.7 | Low | 5 Ų | 5 | 82.2 Ų | 82.2 | 3% | 0.032 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -45.1 | -174.5 | 14.8 | -28.4 | 0 | 0 | 0 | 112.1 | V230 F237 A249 D250 S254 R263 | V230-P252 HydrophobicContact CG1-CG 4.46Å; F237-P252 HydrophobicContact CD2-CB 3.81Å; F237-P252 HydrophobicContact CE2-CB 3.66Å; A249-P252 WeakPolarHBondContact O-CD 3.44Å; D250-P252 VanDerWaalsContact C-CD 3.42Å; D250-P252 WeakPolarHBondContact O-CD 3.46Å; P252-S254 VanDerWaalsContact C-N 3.35Å; P252-S254 PolarHBondContact O-N 3.11Å; P252-R263 PolarHBondContact O-NH2 3.34Å |
| 253 | F | 70.9 | Confident | 68.8 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 11.9 | -178.4 | -51 | -79.7 | 0 | 0 | 0 | 115.9 | V230 L233 K251 I267 Y280 | V230-F253 HydrophobicContact CG1-CE2 4.37Å; V230-F253 HydrophobicContact CG2-CE2 4.33Å; V230-F253 HydrophobicContact CG2-CZ 4.21Å; L233-F253 HydrophobicContact CD1-CE1 4.25Å; L233-F253 HydrophobicContact CD1-CZ 3.88Å; K251-F253 PolarHBondContact O-N 3.33Å; K251-F253 VanDerWaalsContact O-N 3.11Å; F253-I267 HydrophobicContact CD1-CD1 4.24Å; F253-I267 HydrophobicContact CD1-CG2 4.48Å; F253-I267 HydrophobicContact CE1-CG2 4.15Å; F253-Y280 HydrophobicContact CD2-CD1 4.15Å; F253-Y280 AromaticContact CD2-CE1 3.62Å; F253-Y280 HydrophobicContact CD2-CE1 3.62Å; F253-Y280 AromaticContact CE2-CD1 3.41Å; F253-Y280 HydrophobicContact CE2-CD1 3.41Å; F253-Y280 VanDerWaalsContact CE2-CD1 3.41Å; F253-Y280 AromaticContact CE2-CE1 3.21Å; F253-Y280 HydrophobicContact CE2-CE1 3.21Å; F253-Y280 HydrophobicContact CE2-CG 4.32Å; F253-Y280 AromaticContact CE2-CZ 3.98Å; F253-Y280 AromaticContact CZ-CD1 3.72Å; F253-Y280 HydrophobicContact CZ-CD1 3.72Å; F253-Y280 HydrophobicContact CZ-CE1 4.02Å; F253-Y280 HydrophobicContact CZ-CG 4.46Å |
| 254 | S | 73.7 | Confident | 70.1 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 22% | 0.217 | 41% | 0.413 | C | S | . | . | trans | -78 | 137.2 | 175.3 | -169 | 0 | 0 | 0 | 0 | 112.1 | K251 P252 S256 | K251-S254 WeakPolarHBondContact O-CB 3.1Å; K251-S254 PolarHBondContact O-N 3.18Å; P252-S254 VanDerWaalsContact C-N 3.35Å; P252-S254 PolarHBondContact O-N 3.11Å; S254-S256 PolarHBondContact OG-N 2.98Å; S254-S256 PolarHBondContact OG-OG 3.45Å | ||
| 255 | C | 62.9 | Low | 71.4 | Confident | 84 Ų | 84 | 73 Ų | 73 | 57% | 0.568 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -96 | 0 | 174.1 | -159.4 | 0 | 0 | 0 | 0 | 113.4 | W264 | C255-W264 HydrophobicContact CB-CZ2 4.4Š|
| 256 | S | 64.6 | Low | 72.9 | Confident | 106 Ų | 106 | 67.1 Ų | 67.1 | 74% | 0.741 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -91.6 | 10.5 | -171.3 | 74 | 0 | 0 | 0 | 0 | 115.3 | S254 | S254-S256 PolarHBondContact OG-N 2.98Å; S254-S256 PolarHBondContact OG-OG 3.45Å |
| 257 | Q | 66.7 | Low | 74.1 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 21% | 0.206 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -114.8 | 162.8 | -174.7 | -79.3 | 171.1 | -19.9 | 0 | 0 | 111.1 | T247 | T247-Q257 PolarHBondContact O-NE2 3.15Š|
| 258 | S | 64.6 | Low | 75.1 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 162.9 | 170.3 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | C260 | S258-C260 PolarHBondContact O-N 2.7Š|
| 259 | R | 70.6 | Confident | 76.3 | Confident | 146 Ų | 146 | 73 Ų | 73 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 23 | 175.5 | -45.9 | 173.3 | 81 | -176.8 | 3.7 | 114.2 | C261 V262 R263 | R259-C261 VanDerWaalsContact C-N 3.29Å; R259-C261 PolarHBondContact O-N 2.82Å; R259-C261 VanDerWaalsContact O-N 3.11Å; R259-V262 WeakPolarHBondContact O-CB 3.05Å; R259-V262 PolarHBondContact O-N 3.15Å; R259-R263 PolarHBondContact O-N 3.14Å |
| 260 | C | 75.3 | Confident | 77.2 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 31% | 0.311 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -48.3 | -42.6 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | S258 V262 R263 W264 | S258-C260 PolarHBondContact O-N 2.7Å; C260-V262 VanDerWaalsContact C-N 3.35Å; C260-V262 PolarHBondContact O-N 2.69Å; C260-R263 WeakPolarHBondContact O-CB 3.39Å; C260-R263 PolarHBondContact O-N 3.2Å; C260-W264 PolarHBondContact O-N 2.98Å |
| 261 | C | 79.9 | Confident | 78 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 64% | 0.642 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.2 | -43.4 | 177.6 | -57 | 0 | 0 | 0 | 0 | 112.7 | R259 R263 W264 T265 | R259-C261 VanDerWaalsContact C-N 3.29Å; R259-C261 PolarHBondContact O-N 2.82Å; R259-C261 VanDerWaalsContact O-N 3.11Å; C261-R263 VanDerWaalsContact C-N 3.34Å; C261-W264 PolarHBondContact O-N 3.29Å; C261-T265 PolarHBondContact O-N 3.23Å; C261-T265 PolarHBondContact O-OG1 2.99Å |
| 262 | V | 82.6 | Confident | 78.8 | Confident | 79 Ų | 79 | 68 Ų | 68 | 48% | 0.479 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 178.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | R259 C260 W264 T265 T266 | R259-V262 WeakPolarHBondContact O-CB 3.05Å; R259-V262 PolarHBondContact O-N 3.15Å; C260-V262 VanDerWaalsContact C-N 3.35Å; C260-V262 PolarHBondContact O-N 2.69Å; V262-W264 PolarHBondContact O-N 2.91Å; V262-T265 PolarHBondContact O-N 3.38Å; V262-T265 PolarHBondContact O-OG1 3.2Å; V262-T266 WeakPolarHBondContact O-CB 3.1Å; V262-T266 PolarHBondContact O-N 3.42Å; V262-T266 PolarHBondContact O-OG1 3.15Å |
| 263 | R | 83.8 | Confident | 79.5 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 5% | 0.045 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.7 | -53.2 | 171.5 | 68.1 | 93.2 | 10.4 | 111.5 | F237 C248 K251 P252 R259 C260 C261 T266 I267 | F237-R263 HydrophobicContact CE1-CB 4.07Å; F237-R263 HydrophobicContact CE1-CG 4.17Å; F237-R263 HydrophobicContact CZ-CB 4.06Å; C248-R263 PolarHBondContact O-NH2 3.46Å; C248-R263 PolarHBondContact SG-NH1 3.33Å; K251-R263 PolarHBondContact O-NH2 3Å; K251-R263 VanDerWaalsContact O-NH2 3.07Å; P252-R263 PolarHBondContact O-NH2 3.34Å; R259-R263 PolarHBondContact O-N 3.14Å; C260-R263 WeakPolarHBondContact O-CB 3.39Å; C260-R263 PolarHBondContact O-N 3.2Å; C261-R263 VanDerWaalsContact C-N 3.34Å; R263-T266 PolarHBondContact O-N 3.17Å; R263-I267 WeakPolarHBondContact O-CB 3.44Å; R263-I267 WeakPolarHBondContact O-CD1 3.3Å; R263-I267 VanDerWaalsContact O-CG1 3.24Å; R263-I267 WeakPolarHBondContact O-CG1 3.36Å; R263-I267 PolarHBondContact O-N 2.92Å |
| 264 | W | 86.6 | Confident | 80.2 | Confident | 110 Ų | 110 | 72.2 Ų | 72.2 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 179.5 | -74.2 | 115.5 | 0 | 0 | 0 | 112.2 | C255 C260 C261 V262 I267 M268 | C255-W264 HydrophobicContact CB-CZ2 4.4Å; C260-W264 PolarHBondContact O-N 2.98Å; C261-W264 PolarHBondContact O-N 3.29Å; V262-W264 PolarHBondContact O-N 2.91Å; W264-I267 HydrophobicContact CE3-CD1 4.35Å; W264-I267 PolarHBondContact O-N 3.13Å; W264-M268 WeakPolarHBondContact O-CB 3.45Å; W264-M268 VanDerWaalsContact O-CG 3.28Å; W264-M268 WeakPolarHBondContact O-CG 3.05Å; W264-M268 PolarHBondContact O-N 3.44Å |
| 265 | T | 86.8 | Confident | 80.8 | Confident | 92 Ų | 92 | 75.1 Ų | 75.1 | 56% | 0.564 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | 173.4 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | C261 V262 I267 M268 F269 | C261-T265 PolarHBondContact O-N 3.23Å; C261-T265 PolarHBondContact O-OG1 2.99Å; V262-T265 PolarHBondContact O-N 3.38Å; V262-T265 PolarHBondContact O-OG1 3.2Å; T265-I267 PolarHBondContact O-N 2.88Å; T265-M268 PolarHBondContact O-N 2.96Å; T265-F269 VanDerWaalsContact O-CB 3.32Å; T265-F269 WeakPolarHBondContact O-CB 3.4Å; T265-F269 PolarHBondContact O-N 3.07Å |
| 266 | T | 87.6 | Confident | 82.1 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 18% | 0.184 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 172 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | I236 F237 V262 R263 F269 C270 | I236-T266 HydrophobicContact CG2-CG2 3.82Å; F237-T266 HydrophobicContact CE1-CG2 4.16Å; F237-T266 HydrophobicContact CZ-CG2 4.23Å; V262-T266 WeakPolarHBondContact O-CB 3.1Å; V262-T266 PolarHBondContact O-N 3.42Å; V262-T266 PolarHBondContact O-OG1 3.15Å; R263-T266 PolarHBondContact O-N 3.17Å; T266-F269 PolarHBondContact O-N 3.3Å; T266-C270 WeakPolarHBondContact O-CB 3.22Å; T266-C270 PolarHBondContact O-N 3.36Å; T266-C270 PolarHBondContact O-SG 2.92Å |
| 267 | I | 88.5 | Confident | 83.1 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.046 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.8 | -70.1 | 161.3 | 0 | 0 | 0 | 111.3 | L233 F237 F253 R263 W264 T265 S271 | L233-I267 HydrophobicContact CD1-CG1 4.45Å; L233-I267 HydrophobicContact CD2-CG1 4.15Å; F237-I267 HydrophobicContact CE2-CD1 4.36Å; F237-I267 HydrophobicContact CE2-CG1 4.09Å; F237-I267 HydrophobicContact CZ-CD1 4.18Å; F237-I267 HydrophobicContact CZ-CG1 3.94Å; F253-I267 HydrophobicContact CD1-CD1 4.24Å; F253-I267 HydrophobicContact CD1-CG2 4.48Å; F253-I267 HydrophobicContact CE1-CG2 4.15Å; R263-I267 WeakPolarHBondContact O-CB 3.44Å; R263-I267 WeakPolarHBondContact O-CD1 3.3Å; R263-I267 VanDerWaalsContact O-CG1 3.24Å; R263-I267 WeakPolarHBondContact O-CG1 3.36Å; R263-I267 PolarHBondContact O-N 2.92Å; W264-I267 HydrophobicContact CE3-CD1 4.35Å; W264-I267 PolarHBondContact O-N 3.13Å; T265-I267 PolarHBondContact O-N 2.88Å; I267-S271 WeakPolarHBondContact O-CB 3.47Å; I267-S271 PolarHBondContact O-N 3.35Å; I267-S271 PolarHBondContact O-OG 3.23Å |
| 268 | M | 87.9 | Confident | 84.1 | Confident | 111 Ų | 111 | 74.3 Ų | 74.3 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 177 | -72.8 | -61.2 | -64.7 | 0 | 0 | 111.7 | W264 T265 S271 L272 | W264-M268 WeakPolarHBondContact O-CB 3.45Å; W264-M268 VanDerWaalsContact O-CG 3.28Å; W264-M268 WeakPolarHBondContact O-CG 3.05Å; W264-M268 PolarHBondContact O-N 3.44Å; T265-M268 PolarHBondContact O-N 2.96Å; M268-S271 WeakPolarHBondContact O-CB 3.49Å; M268-S271 PolarHBondContact O-N 3.5Å; M268-S271 VanDerWaalsContact O-N 3.15Å; M268-L272 PolarHBondContact O-N 2.91Å; M268-L272 VanDerWaalsContact O-N 3.15Å |
| 269 | F | 89.9 | Confident | 85.3 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 177.1 | -178.3 | -108.2 | 0 | 0 | 0 | 112 | T265 T266 S271 L272 L273 | T265-F269 VanDerWaalsContact O-CB 3.32Å; T265-F269 WeakPolarHBondContact O-CB 3.4Å; T265-F269 PolarHBondContact O-N 3.07Å; T266-F269 PolarHBondContact O-N 3.3Å; F269-S271 PolarHBondContact O-N 3.11Å; F269-L272 PolarHBondContact O-N 2.88Å; F269-L272 VanDerWaalsContact O-N 3.17Å; F269-L273 HydrophobicContact CD1-CD1 4.05Å; F269-L273 HydrophobicContact CE1-CD1 3.52Å; F269-L273 HydrophobicContact CE1-CG 4.43Å; F269-L273 HydrophobicContact CZ-CD1 3.82Å; F269-L273 HydrophobicContact CZ-CG 4.43Å; F269-L273 PolarHBondContact O-N 3.45Å |
| 270 | C | 86.4 | Confident | 86.2 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 8% | 0.081 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 174.9 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | L233 I236 T266 L272 L273 C274 L277 | L233-C270 HydrophobicContact CD2-CB 3.73Å; L233-C270 HydrophobicContact CG-CB 4.41Å; I236-C270 VanDerWaalsContact CD1-SG 3.59Å; T266-C270 WeakPolarHBondContact O-CB 3.22Å; T266-C270 PolarHBondContact O-N 3.36Å; T266-C270 PolarHBondContact O-SG 2.92Å; C270-L272 VanDerWaalsContact C-N 3.33Å; C270-L273 PolarHBondContact O-N 3.34Å; C270-C274 WeakPolarHBondContact O-CA 3.5Å; C270-C274 VanDerWaalsContact O-CB 3.3Å; C270-C274 WeakPolarHBondContact O-CB 3.4Å; C270-C274 PolarHBondContact O-N 2.84Å; C270-L277 HydrophobicContact CB-CD2 3.67Å |
| 271 | S | 88 | Confident | 86.8 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.2 | -29.4 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 113 | I267 M268 F269 C274 | I267-S271 WeakPolarHBondContact O-CB 3.47Å; I267-S271 PolarHBondContact O-N 3.35Å; I267-S271 PolarHBondContact O-OG 3.23Å; M268-S271 WeakPolarHBondContact O-CB 3.49Å; M268-S271 PolarHBondContact O-N 3.5Å; M268-S271 VanDerWaalsContact O-N 3.15Å; F269-S271 PolarHBondContact O-N 3.11Å; S271-C274 CarbonylContact O-C 3.57Å |
| 272 | L | 86.6 | Confident | 87.3 | Confident | 138 Ų | 138 | 71.1 Ų | 71.1 | 72% | 0.723 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -72.9 | -39.8 | 173.3 | -65.5 | 171.2 | 0 | 0 | 0 | 111.7 | M268 F269 C270 | M268-L272 PolarHBondContact O-N 2.91Å; M268-L272 VanDerWaalsContact O-N 3.15Å; F269-L272 PolarHBondContact O-N 2.88Å; F269-L272 VanDerWaalsContact O-N 3.17Å; C270-L272 VanDerWaalsContact C-N 3.33Å |
| 273 | L | 85.9 | Confident | 87.7 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 60% | 0.602 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.4 | -34.4 | 176.9 | -64.1 | 179.3 | 0 | 0 | 0 | 113.1 | F269 C270 | F269-L273 HydrophobicContact CD1-CD1 4.05Å; F269-L273 HydrophobicContact CE1-CD1 3.52Å; F269-L273 HydrophobicContact CE1-CG 4.43Å; F269-L273 HydrophobicContact CZ-CD1 3.82Å; F269-L273 HydrophobicContact CZ-CG 4.43Å; F269-L273 PolarHBondContact O-N 3.45Å; C270-L273 PolarHBondContact O-N 3.34Å |
| 274 | C | 84.9 | Confident | 88 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 28% | 0.284 | 37% | 0.368 | S | S | . | . | trans | -131.5 | 80.6 | -171.6 | -70.3 | 0 | 0 | 0 | 0 | 109.9 | C229 C270 S271 C276 L277 | C229-C274 HydrophobicContact CB-CB 4.34Å; C270-C274 WeakPolarHBondContact O-CA 3.5Å; C270-C274 VanDerWaalsContact O-CB 3.3Å; C270-C274 WeakPolarHBondContact O-CB 3.4Å; C270-C274 PolarHBondContact O-N 2.84Å; S271-C274 CarbonylContact O-C 3.57Å; C274-C276 PolarHBondContact O-N 3.37Å; C274-L277 HydrophobicContact CB-CD1 3.8Å; C274-L277 WeakPolarHBondContact O-CB 3.44Å; C274-L277 PolarHBondContact O-N 3.45Å | ||
| 275 | P | 86.3 | Confident | 88.2 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -60.5 | -17.7 | -178.1 | 23.2 | -34.1 | 0 | 0 | 0 | 113.7 | L277 W278 | P275-L277 PolarHBondContact O-N 2.88Å; P275-L277 VanDerWaalsContact O-N 3.14Å; P275-W278 PolarHBondContact O-N 3.27Å; P275-W278 VanDerWaalsContact O-N 3.07Å |
| 276 | C | 89.6 | Confident | 88.4 | Confident | 32 Ų | 32 | 66 Ų | 66 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -50.8 | -27.7 | 166.4 | 41.3 | 0 | 0 | 0 | 0 | 114 | T228 C229 C274 W278 C279 | T228-C276 VanDerWaalsContact CB-O 3.3Å; T228-C276 WeakPolarHBondContact CB-O 3.48Å; T228-C276 CarbonylContact O-C 3.46Å; C229-C276 HydrophobicContact CB-CB 4.14Å; C229-C276 WeakPolarHBondContact CB-SG 3.27Å; C229-C276 WeakPolarHBondContact SG-CB 3.31Å; C229-C276 CovalentContact SG-SG 2.05Å; C229-C276 PolarHBondContact SG-SG 3.28Å; C274-C276 PolarHBondContact O-N 3.37Å; C276-W278 VanDerWaalsContact C-N 3.3Å; C276-W278 PolarHBondContact O-N 3.4Å; C276-C279 WeakPolarHBondContact O-CB 3.44Å; C276-C279 PolarHBondContact O-N 3Å; C276-C279 VanDerWaalsContact O-N 3.08Å |
| 277 | L | 87.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -59.1 | -38.5 | 174.9 | -94.2 | 60.7 | 0 | 0 | 0 | 112.4 | T228 C229 L233 C270 C274 P275 C279 Y280 | T228-L277 PolarHBondContact O-N 2.89Å; C229-L277 HydrophobicContact CB-CD1 3.76Å; L233-L277 HydrophobicContact CD1-CD2 3.56Å; L233-L277 HydrophobicContact CD1-CG 3.92Å; L233-L277 HydrophobicContact CD2-CD2 4.25Å; L233-L277 HydrophobicContact CG-CD2 3.85Å; L233-L277 HydrophobicContact CG-CG 4.4Å; C270-L277 HydrophobicContact CB-CD2 3.67Å; C274-L277 HydrophobicContact CB-CD1 3.8Å; C274-L277 WeakPolarHBondContact O-CB 3.44Å; C274-L277 PolarHBondContact O-N 3.45Å; P275-L277 PolarHBondContact O-N 2.88Å; P275-L277 VanDerWaalsContact O-N 3.14Å; L277-C279 PolarHBondContact O-N 3.01Å; L277-Y280 WeakPolarHBondContact O-CB 3.33Å; L277-Y280 PolarHBondContact O-N 2.96Å |
| 278 | W | 86.3 | Confident | 88.8 | Confident | 179 Ų | 179 | 68.3 Ų | 68.3 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -66.9 | -23.5 | 178.8 | -73.7 | 9.9 | 0 | 0 | 0 | 111.9 | P275 C276 Y280 P282 | P275-W278 PolarHBondContact O-N 3.27Å; P275-W278 VanDerWaalsContact O-N 3.07Å; C276-W278 VanDerWaalsContact C-N 3.3Å; C276-W278 PolarHBondContact O-N 3.4Å; W278-Y280 VanDerWaalsContact C-N 3.29Å; W278-Y280 PolarHBondContact O-N 2.98Å; W278-P282 WeakPolarHBondContact O-CD 3.47Å |
| 279 | C | 90.1 | Very high | 88.9 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -76 | -11.4 | 172.9 | -57 | 0 | 0 | 0 | 0 | 113.6 | T228 C276 L277 P282 G283 | T228-C279 HydrophobicContact CG2-CB 4.01Å; C276-C279 WeakPolarHBondContact O-CB 3.44Å; C276-C279 PolarHBondContact O-N 3Å; C276-C279 VanDerWaalsContact O-N 3.08Å; L277-C279 PolarHBondContact O-N 3.01Å; C279-P282 WeakPolarHBondContact O-CD 3.44Å; C279-P282 WeakPolarHBondContact O-CG 3.3Å; C279-G283 WeakPolarHBondContact O-CA 3.29Å; C279-G283 PolarHBondContact O-N 3.07Å |
| 280 | Y | 90.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 177.5 | 177.5 | -108.5 | 0 | 0 | 0 | 112.9 | V224 E225 T228 V230 F253 L277 W278 G283 K284 | V224-Y280 HydrophobicContact CG1-CD2 3.98Å; V224-Y280 HydrophobicContact CG1-CE2 4.43Å; E225-Y280 HydrophobicContact CG-CE2 4.37Å; T228-Y280 WeakPolarHBondContact OG1-CD2 3.38Å; V230-Y280 HydrophobicContact CB-CD2 4.26Å; V230-Y280 HydrophobicContact CB-CE2 4.44Å; V230-Y280 HydrophobicContact CG1-CE2 4.27Å; V230-Y280 HydrophobicContact CG2-CD1 4.28Å; V230-Y280 HydrophobicContact CG2-CD2 3.58Å; V230-Y280 HydrophobicContact CG2-CE2 4.12Å; V230-Y280 HydrophobicContact CG2-CG 3.64Å; F253-Y280 HydrophobicContact CD2-CD1 4.15Å; F253-Y280 AromaticContact CD2-CE1 3.62Å; F253-Y280 HydrophobicContact CD2-CE1 3.62Å; F253-Y280 AromaticContact CE2-CD1 3.41Å; F253-Y280 HydrophobicContact CE2-CD1 3.41Å; F253-Y280 VanDerWaalsContact CE2-CD1 3.41Å; F253-Y280 AromaticContact CE2-CE1 3.21Å; F253-Y280 HydrophobicContact CE2-CE1 3.21Å; F253-Y280 HydrophobicContact CE2-CG 4.32Å; F253-Y280 AromaticContact CE2-CZ 3.98Å; F253-Y280 AromaticContact CZ-CD1 3.72Å; F253-Y280 HydrophobicContact CZ-CD1 3.72Å; F253-Y280 HydrophobicContact CZ-CE1 4.02Å; F253-Y280 HydrophobicContact CZ-CG 4.46Å; L277-Y280 WeakPolarHBondContact O-CB 3.33Å; L277-Y280 PolarHBondContact O-N 2.96Å; W278-Y280 VanDerWaalsContact C-N 3.29Å; W278-Y280 PolarHBondContact O-N 2.98Å; Y280-G283 PolarHBondContact O-N 2.94Å; Y280-K284 HydrophobicContact CD2-CG 4.15Å; Y280-K284 HydrophobicContact CE1-CG 4.13Å; Y280-K284 HydrophobicContact CE2-CD 4.29Å; Y280-K284 HydrophobicContact CE2-CG 3.74Å; Y280-K284 WeakPolarHBondContact O-CB 3.2Å; Y280-K284 WeakPolarHBondContact O-CG 3.49Å; Y280-K284 PolarHBondContact O-N 3.39Å; Y280-K284 VanDerWaalsContact OH-CE 3.31Å; Y280-K284 WeakPolarHBondContact OH-CE 3.32Å |
| 281 | L | 88.4 | Confident | 89.2 | Confident | 116 Ų | 116 | 68.7 Ų | 68.7 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63 | -54.6 | 179.8 | -78.1 | 77.9 | 0 | 0 | 0 | 112.3 | G283 K284 G285 | L281-G283 VanDerWaalsContact C-N 3.31Å; L281-G283 PolarHBondContact O-N 3.5Å; L281-K284 PolarHBondContact O-N 2.93Å; L281-G285 PolarHBondContact O-N 3.31Å |
| 282 | P | 90.1 | Very high | 89.2 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 174.6 | 26.5 | -33.4 | 0 | 0 | 0 | 111.7 | W278 C279 G285 C286 | W278-P282 WeakPolarHBondContact O-CD 3.47Å; C279-P282 WeakPolarHBondContact O-CD 3.44Å; C279-P282 WeakPolarHBondContact O-CG 3.3Å; P282-G285 CarbonylContact O-C 3.53Å; P282-G285 WeakPolarHBondContact O-CA 3.37Å; P282-G285 PolarHBondContact O-N 3.03Å; P282-G285 VanDerWaalsContact O-N 3.14Å; P282-C286 WeakPolarHBondContact O-CB 3.42Å; P282-C286 PolarHBondContact O-N 2.96Å; P282-C286 PolarHBondContact O-SG 3.02Å |
| 283 | G | 89.7 | Confident | 89.3 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 17% | 0.165 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | C279 Y280 L281 G285 C286 L287 | C279-G283 WeakPolarHBondContact O-CA 3.29Å; C279-G283 PolarHBondContact O-N 3.07Å; Y280-G283 PolarHBondContact O-N 2.94Å; L281-G283 VanDerWaalsContact C-N 3.31Å; L281-G283 PolarHBondContact O-N 3.5Å; G283-G285 VanDerWaalsContact C-N 3.34Å; G283-G285 PolarHBondContact O-N 3.39Å; G283-C286 PolarHBondContact O-N 3.42Å; G283-L287 WeakPolarHBondContact O-CG 3.44Å; G283-L287 PolarHBondContact O-N 2.88Å |
| 284 | K | 90.9 | Very high | 89.5 | Confident | 59 Ų | 59 | 67 Ų | 67 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 172.5 | -79.8 | -78.8 | 177.8 | 170.9 | 0 | 112.4 | D221 Y280 L281 L287 A288 | D221-K284 IonicContact OD1-NZ 2.64Å; D221-K284 PolarHBondContact OD1-NZ 3.4Å; Y280-K284 HydrophobicContact CD2-CG 4.15Å; Y280-K284 HydrophobicContact CE1-CG 4.13Å; Y280-K284 HydrophobicContact CE2-CD 4.29Å; Y280-K284 HydrophobicContact CE2-CG 3.74Å; Y280-K284 WeakPolarHBondContact O-CB 3.2Å; Y280-K284 WeakPolarHBondContact O-CG 3.49Å; Y280-K284 PolarHBondContact O-N 3.39Å; Y280-K284 VanDerWaalsContact OH-CE 3.31Å; Y280-K284 WeakPolarHBondContact OH-CE 3.32Å; L281-K284 PolarHBondContact O-N 2.93Å; K284-L287 PolarHBondContact O-N 3.29Å; K284-A288 WeakPolarHBondContact O-CB 3.26Å; K284-A288 PolarHBondContact O-N 3.04Å |
| 285 | G | 91.3 | Very high | 89.6 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L281 P282 G283 L287 A288 M289 | L281-G285 PolarHBondContact O-N 3.31Å; P282-G285 CarbonylContact O-C 3.53Å; P282-G285 WeakPolarHBondContact O-CA 3.37Å; P282-G285 PolarHBondContact O-N 3.03Å; P282-G285 VanDerWaalsContact O-N 3.14Å; G283-G285 VanDerWaalsContact C-N 3.34Å; G283-G285 PolarHBondContact O-N 3.39Å; G285-L287 PolarHBondContact O-N 3.19Å; G285-A288 PolarHBondContact O-N 3.43Å; G285-M289 WeakPolarHBondContact O-CG 3.47Å; G285-M289 PolarHBondContact O-N 3.46Å |
| 286 | C | 91.1 | Very high | 89.6 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 51% | 0.514 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | P282 G283 A288 M289 C290 | P282-C286 WeakPolarHBondContact O-CB 3.42Å; P282-C286 PolarHBondContact O-N 2.96Å; P282-C286 PolarHBondContact O-SG 3.02Å; G283-C286 PolarHBondContact O-N 3.42Å; C286-A288 PolarHBondContact O-N 3.5Å; C286-M289 PolarHBondContact O-N 3.33Å; C286-C290 WeakPolarHBondContact O-CB 3.33Å; C286-C290 PolarHBondContact O-N 3.47Å; C286-C290 PolarHBondContact O-SG 3.37Å |
| 287 | L | 91.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 173.5 | -73 | -175.8 | 0 | 0 | 0 | 112 | P220 V224 G283 K284 G285 M289 C290 Q291 | P220-L287 HydrophobicContact CB-CD2 3.43Å; P220-L287 VanDerWaalsContact CB-CD2 3.43Å; V224-L287 HydrophobicContact CB-CD1 3.97Å; V224-L287 HydrophobicContact CG2-CD1 3.6Å; V224-L287 HydrophobicContact CG2-CD2 4.29Å; V224-L287 HydrophobicContact CG2-CG 3.87Å; G283-L287 WeakPolarHBondContact O-CG 3.44Å; G283-L287 PolarHBondContact O-N 2.88Å; K284-L287 PolarHBondContact O-N 3.29Å; G285-L287 PolarHBondContact O-N 3.19Å; L287-M289 VanDerWaalsContact C-N 3.33Å; L287-M289 PolarHBondContact O-N 3.31Å; L287-C290 PolarHBondContact O-N 2.76Å; L287-Q291 WeakPolarHBondContact O-CB 3.49Å; L287-Q291 PolarHBondContact O-N 3.08Å |
| 288 | A | 92 | Very high | 89.3 | Confident | 63 Ų | 63 | 71 Ų | 71 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K284 G285 C286 C292 | K284-A288 WeakPolarHBondContact O-CB 3.26Å; K284-A288 PolarHBondContact O-N 3.04Å; G285-A288 PolarHBondContact O-N 3.43Å; C286-A288 PolarHBondContact O-N 3.5Å; A288-C292 VanDerWaalsContact O-CB 3.29Å; A288-C292 WeakPolarHBondContact O-CB 3.43Å; A288-C292 PolarHBondContact O-N 3.38Å |
| 289 | M | 91.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 64 Ų | 64 | 65% | 0.65 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.7 | -48.5 | 174 | -70.4 | -173.5 | 72.4 | 0 | 0 | 112 | G285 C286 L287 Q291 C292 C293 | G285-M289 WeakPolarHBondContact O-CG 3.47Å; G285-M289 PolarHBondContact O-N 3.46Å; C286-M289 PolarHBondContact O-N 3.33Å; L287-M289 VanDerWaalsContact C-N 3.33Å; L287-M289 PolarHBondContact O-N 3.31Å; M289-Q291 VanDerWaalsContact C-N 3.3Å; M289-Q291 PolarHBondContact O-N 2.68Å; M289-C292 WeakPolarHBondContact O-CB 3.24Å; M289-C292 PolarHBondContact O-N 2.95Å; M289-C292 VanDerWaalsContact O-N 3.16Å; M289-C293 WeakPolarHBondContact O-CB 3.19Å; M289-C293 PolarHBondContact O-N 3.39Å; M289-C293 PolarHBondContact O-SG 3.45Å; M289-C293 VanDerWaalsContact O-SG 3.36Å |
| 290 | C | 89.8 | Confident | 88.9 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 175.3 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | C286 L287 C293 Y294 | C286-C290 WeakPolarHBondContact O-CB 3.33Å; C286-C290 PolarHBondContact O-N 3.47Å; C286-C290 PolarHBondContact O-SG 3.37Å; L287-C290 PolarHBondContact O-N 2.76Å; C290-C293 PolarHBondContact O-N 3.11Å; C290-Y294 WeakPolarHBondContact O-CB 3.45Å; C290-Y294 PolarHBondContact O-N 3.28Å |
| 291 | Q | 92.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.5 | 176.5 | 57.8 | 91.4 | 0 | 0 | 111.8 | R204 A205 L206 L287 M289 D295 | R204-Q291 PolarHBondContact O-NE2 2.92Å; A205-Q291 VanDerWaalsContact CA-OE1 3.28Å; L206-Q291 HydrophobicContact CD1-CB 3.99Å; L206-Q291 HydrophobicContact CG-CB 4.17Å; L287-Q291 WeakPolarHBondContact O-CB 3.49Å; L287-Q291 PolarHBondContact O-N 3.08Å; M289-Q291 VanDerWaalsContact C-N 3.3Å; M289-Q291 PolarHBondContact O-N 2.68Å; Q291-D295 WeakPolarHBondContact O-CB 3.49Å; Q291-D295 PolarHBondContact O-N 3.49Å |
| 292 | C | 87.6 | Confident | 88.7 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -51.2 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 111 | A288 M289 Y294 D295 Q296 | A288-C292 VanDerWaalsContact O-CB 3.29Å; A288-C292 WeakPolarHBondContact O-CB 3.43Å; A288-C292 PolarHBondContact O-N 3.38Å; M289-C292 WeakPolarHBondContact O-CB 3.24Å; M289-C292 PolarHBondContact O-N 2.95Å; M289-C292 VanDerWaalsContact O-N 3.16Å; C292-Y294 VanDerWaalsContact C-N 3.35Å; C292-Y294 PolarHBondContact O-N 3.43Å; C292-D295 PolarHBondContact O-N 2.9Å; C292-Q296 VanDerWaalsContact O-CD 3.32Å; C292-Q296 WeakPolarHBondContact O-CG 3.33Å; C292-Q296 PolarHBondContact O-N 3.27Å; C292-Q296 PolarHBondContact SG-NE2 3.37Å |
| 293 | C | 88.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 60 Ų | 60 | 52% | 0.52 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | M289 C290 Q296 V297 | M289-C293 WeakPolarHBondContact O-CB 3.19Å; M289-C293 PolarHBondContact O-N 3.39Å; M289-C293 PolarHBondContact O-SG 3.45Å; M289-C293 VanDerWaalsContact O-SG 3.36Å; C290-C293 PolarHBondContact O-N 3.11Å; C293-Q296 WeakPolarHBondContact O-CB 3.41Å; C293-Q296 PolarHBondContact O-N 3.06Å; C293-V297 PolarHBondContact O-N 2.92Å |
| 294 | Y | 89.6 | Confident | 88 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.5 | -177.4 | -104.3 | 0 | 0 | 0 | 111.7 | R204 A205 L206 C290 C292 Q296 V297 A298 | R204-Y294 HydrophobicContact CB-CD1 4.41Å; R204-Y294 HydrophobicContact CB-CE1 4.06Å; R204-Y294 WeakPolarHBondContact O-CD1 3.42Å; A205-Y294 VanDerWaalsContact O-CE1 3.3Å; A205-Y294 WeakPolarHBondContact O-CE1 3.21Å; L206-Y294 HydrophobicContact CD2-CD1 4.07Å; L206-Y294 HydrophobicContact CD2-CD2 4.42Å; L206-Y294 HydrophobicContact CD2-CG 3.82Å; C290-Y294 WeakPolarHBondContact O-CB 3.45Å; C290-Y294 PolarHBondContact O-N 3.28Å; C292-Y294 VanDerWaalsContact C-N 3.35Å; C292-Y294 PolarHBondContact O-N 3.43Å; Y294-Q296 VanDerWaalsContact C-N 3.28Å; Y294-Q296 PolarHBondContact O-N 3.39Å; Y294-V297 PolarHBondContact O-N 2.86Å; Y294-V297 VanDerWaalsContact O-N 3.16Å; Y294-A298 HydrophobicContact CD1-CB 4.27Å; Y294-A298 HydrophobicContact CD2-CB 4.18Å; Y294-A298 HydrophobicContact CE1-CB 3.96Å; Y294-A298 HydrophobicContact CE2-CB 3.86Å; Y294-A298 HydrophobicContact CG-CB 4.37Å; Y294-A298 VanDerWaalsContact O-CB 3.27Å; Y294-A298 WeakPolarHBondContact O-CB 3.28Å; Y294-A298 PolarHBondContact O-N 3.42Å |
| 295 | D | 89 | Confident | 87.1 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.1 | -28.8 | 174.2 | -171.9 | 47.6 | 0 | 0 | 0 | 112.7 | P203 R204 Q291 C292 V297 R299 | P203-D295 VanDerWaalsContact CA-OD1 3.31Å; P203-D295 WeakPolarHBondContact CA-OD1 3.32Å; R204-D295 PolarHBondContact N-OD1 3.24Å; Q291-D295 WeakPolarHBondContact O-CB 3.49Å; Q291-D295 PolarHBondContact O-N 3.49Å; C292-D295 PolarHBondContact O-N 2.9Å; D295-V297 VanDerWaalsContact C-N 3.27Å; D295-V297 PolarHBondContact O-N 3.31Å; D295-R299 WeakPolarHBondContact O-CB 3.45Å; D295-R299 IonicContact OD1-CZ 3.7Å; D295-R299 IonicContact OD1-NE 2.68Å; D295-R299 PolarHBondContact OD1-NE 3.14Å; D295-R299 IonicContact OD1-NH2 3.36Å; D295-R299 PolarHBondContact OD1-NH2 3.35Å; D295-R299 IonicContact OD2-CZ 2.73Å; D295-R299 IonicContact OD2-NE 2.7Å; D295-R299 PolarHBondContact OD2-NE 2.76Å; D295-R299 IonicContact OD2-NH2 3.15Å; D295-R299 PolarHBondContact OD2-NH2 3.01Å |
| 296 | Q | 85.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -34 | 174.2 | -49.6 | -41.6 | 13.3 | 0 | 0 | 112.8 | C292 C293 Y294 | C292-Q296 VanDerWaalsContact O-CD 3.32Å; C292-Q296 WeakPolarHBondContact O-CG 3.33Å; C292-Q296 PolarHBondContact O-N 3.27Å; C292-Q296 PolarHBondContact SG-NE2 3.37Å; C293-Q296 WeakPolarHBondContact O-CB 3.41Å; C293-Q296 PolarHBondContact O-N 3.06Å; Y294-Q296 VanDerWaalsContact C-N 3.28Å; Y294-Q296 PolarHBondContact O-N 3.39Å |
| 297 | V | 85.8 | Confident | 83.8 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -100.9 | -47.4 | -169.7 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | C293 Y294 D295 R299 | C293-V297 PolarHBondContact O-N 2.92Å; Y294-V297 PolarHBondContact O-N 2.86Å; Y294-V297 VanDerWaalsContact O-N 3.16Å; D295-V297 VanDerWaalsContact C-N 3.27Å; D295-V297 PolarHBondContact O-N 3.31Å; V297-R299 VanDerWaalsContact C-N 3.34Å; V297-R299 PolarHBondContact O-N 3.39Å |
| 298 | A | 85.4 | Confident | 81.9 | Confident | 40 Ų | 40 | 80 Ų | 80 | 33% | 0.331 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -78.7 | -12.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R204 Y294 P300 | R204-A298 HydrophobicContact CB-CB 4.49Å; Y294-A298 HydrophobicContact CD1-CB 4.27Å; Y294-A298 HydrophobicContact CD2-CB 4.18Å; Y294-A298 HydrophobicContact CE1-CB 3.96Å; Y294-A298 HydrophobicContact CE2-CB 3.86Å; Y294-A298 HydrophobicContact CG-CB 4.37Å; Y294-A298 VanDerWaalsContact O-CB 3.27Å; Y294-A298 WeakPolarHBondContact O-CB 3.28Å; Y294-A298 PolarHBondContact O-N 3.42Å; A298-P300 WeakPolarHBondContact O-CD 3.45Å |
| 299 | R | 86 | Confident | 79.9 | Confident | 32 Ų | 32 | 84 Ų | 84 | 12% | 0.121 | 46% | 0.459 | C | S | . | . | trans | -84.4 | 118.7 | -179.8 | -166.8 | -159.1 | -71.7 | -147.4 | -3.6 | 112.1 | R194 C200 V201 R204 D295 V297 | R194-R299 PolarHBondContact NH1-O 3.49Å; C200-R299 WeakPolarHBondContact O-CG 3.19Å; V201-R299 PolarHBondContact O-NH1 3.17Å; R204-R299 HydrophobicContact CG-CB 4.49Å; D295-R299 WeakPolarHBondContact O-CB 3.45Å; D295-R299 IonicContact OD1-CZ 3.7Å; D295-R299 IonicContact OD1-NE 2.68Å; D295-R299 PolarHBondContact OD1-NE 3.14Å; D295-R299 IonicContact OD1-NH2 3.36Å; D295-R299 PolarHBondContact OD1-NH2 3.35Å; D295-R299 IonicContact OD2-CZ 2.73Å; D295-R299 IonicContact OD2-NE 2.7Å; D295-R299 PolarHBondContact OD2-NE 2.76Å; D295-R299 IonicContact OD2-NH2 3.15Å; D295-R299 PolarHBondContact OD2-NH2 3.01Å; V297-R299 VanDerWaalsContact C-N 3.34Å; V297-R299 PolarHBondContact O-N 3.39Å | ||
| 300 | P | 82.2 | Confident | 77.7 | Confident | 79 Ų | 79 | 83.6 Ų | 83.6 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | trans | -80.2 | -18.3 | -177.9 | 32.5 | -36.3 | 0 | 0 | 0 | 114.2 | A298 | A298-P300 WeakPolarHBondContact O-CD 3.45Š| ||
| 301 | G | 86.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 91.4 Ų | 91.4 | 0% | 0 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -77 | 173.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R194 C195 C200 | R194-G301 WeakPolarHBondContact CD-O 3.29Å; C195-G301 CarbonylContact O-C 3.56Å; C195-G301 VanDerWaalsContact O-CA 3.29Å; C195-G301 WeakPolarHBondContact O-CA 3.49Å; C200-G301 VanDerWaalsContact O-CA 3.31Å; C200-G301 WeakPolarHBondContact O-CA 3.3Å; C200-G301 PolarHBondContact O-N 3.05Å |
| 302 | C | 86.6 | Confident | 73.5 | Confident | 12 Ų | 12 | 93.9 Ų | 93.9 | 8% | 0.081 | 51% | 0.505 | C | S | . | . | trans | -73.8 | 154.1 | 177.2 | -157.1 | 0 | 0 | 0 | 0 | 112.7 | C189 C192 R194 C195 V201 C304 | C189-C302 HydrophobicContact CB-CB 3.94Å; C189-C302 WeakPolarHBondContact CB-SG 2.9Å; C192-C302 WeakPolarHBondContact CB-SG 3.45Å; C192-C302 WeakPolarHBondContact SG-CB 3.42Å; C192-C302 CovalentContact SG-SG 2.04Å; C192-C302 PolarHBondContact SG-SG 3.09Å; R194-C302 HydrophobicContact CB-CB 4.08Å; C195-C302 PolarHBondContact O-N 2.96Å; V201-C302 WeakPolarHBondContact CG2-O 3.46Å; C302-C304 VanDerWaalsContact SG-SG 3.67Å | ||
| 303 | R | 82.8 | Confident | 71.4 | Confident | 120 Ų | 120 | 99.1 Ų | 99.1 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | trans | -134.3 | 13.5 | -173.7 | -65 | -179.6 | 55.2 | -133.2 | -18.3 | 114 | K305 | R303-K305 PolarHBondContact O-N 3.23Š| ||
| 304 | C | 83.3 | Confident | 69.3 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | trans | -70.8 | 122.4 | -178.5 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | S191 C302 N306 | S191-C304 PolarHBondContact OG-SG 2.99Å; C302-C304 VanDerWaalsContact SG-SG 3.67Å; C304-N306 PolarHBondContact O-N 3.45Å | ||
| 305 | K | 73 | Confident | 67 | Low | 205 Ų | 205 | 103.2 Ų | 103.2 | 89% | 0.891 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -83.7 | 103.7 | 168.9 | -67.8 | -176 | 177.1 | -175.8 | 0 | 108.9 | R303 | R303-K305 PolarHBondContact O-N 3.23Š|
| 306 | N | 56.7 | Low | 64.5 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | trans | 62.8 | 132 | -173.1 | -61.5 | -37.5 | 0 | 0 | 0 | 115 | C304 | C304-N306 PolarHBondContact O-N 3.45Š| ||
| 307 | P | 54.5 | Low | 62.4 | Low | 102 Ų | 102 | 115.2 Ų | 115.2 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -85.3 | -7.6 | 177.9 | 34.6 | -35.5 | 0 | 0 | 0 | 113.8 | L309 | P307-L309 PolarHBondContact O-N 3.14Š|
| 308 | T | 53.3 | Low | 60.1 | Low | 125 Ų | 125 | 114.6 Ų | 114.6 | 77% | 0.767 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -89.1 | 3.4 | -159.9 | 25.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 309 | L | 50 | Low | 57.9 | Low | 147 Ų | 147 | 118.1 Ų | 118.1 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -143.7 | 133.9 | 178.2 | -113.3 | 165.2 | 0 | 0 | 0 | 114.3 | P307 | P307-L309 PolarHBondContact O-N 3.14Š|
| 310 | T | 44.4 | Very low | 55.8 | Low | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | 54.7 | 75.4 | 163.9 | 37.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 311 | R | 44.4 | Very low | 53.8 | Low | 236 Ų | 236 | 128.2 Ų | 128.2 | 89% | 0.891 | 68% | 0.68 | S | S | * | * | 34.5 | 103.8 | 109.8 | -162.2 | -178.4 | -161 | -179.6 | 6.1 | 116.9 | |||||
| 312 | C | 48.7 | Very low | 51.5 | Low | 109 Ų | 109 | 136 Ų | 136 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | 59.7 | 78.2 | 148.2 | -56.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 313 | L | 44.6 | Very low | 49.4 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | -114.3 | 71.8 | 145.3 | -82.9 | 173.1 | 0 | 0 | 0 | 110.7 | ||||
| 314 | I | 44.7 | Very low | 47.4 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -91.1 | 115.7 | 154.9 | -62.1 | 174.4 | 0 | 0 | 0 | 105.9 | K316 | I314-K316 VanDerWaalsContact C-N 3.34Å; I314-K316 PolarHBondContact O-N 3.49Å | ||
| 315 | P | 39.8 | Very low | 45.5 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -67.3 | 93.8 | 171 | -17.3 | 31.8 | 0 | 0 | 0 | 109.2 | L317 | P315-L317 PolarHBondContact O-N 3.38Å; P315-L317 VanDerWaalsContact O-N 3.14Å | ||
| 316 | K | 38 | Very low | 44.3 | Very low | 190 Ų | 190 | 151 Ų | 151 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -69.9 | 105.7 | 166.5 | -76.5 | -168.3 | 174.7 | -174.3 | 0 | 107.6 | I314 | I314-K316 VanDerWaalsContact C-N 3.34Å; I314-K316 PolarHBondContact O-N 3.49Å | ||
| 317 | L | 39.8 | Very low | 43.7 | Very low | 150 Ų | 150 | 152 Ų | 152 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -56.6 | 131.7 | 166.6 | -77.5 | 87.7 | 0 | 0 | 0 | 108.5 | P315 S319 | P315-L317 PolarHBondContact O-N 3.38Å; P315-L317 VanDerWaalsContact O-N 3.14Å; L317-S319 PolarHBondContact O-N 3.35Å; L317-S319 VanDerWaalsContact O-N 3.16Å | ||
| 318 | P | 36.8 | Very low | 43.1 | Very low | 114 Ų | 114 | 154.6 Ų | 154.6 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | trans | -67.4 | 116 | 175.4 | 27.3 | -32.8 | 0 | 0 | 0 | 109.3 | V320 | P318-V320 PolarHBondContact O-N 3.48Š| ||
| 319 | S | 40.7 | Very low | 42.5 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -70.6 | 91.3 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | L317 K321 | L317-S319 PolarHBondContact O-N 3.35Å; L317-S319 VanDerWaalsContact O-N 3.16Å; S319-K321 PolarHBondContact O-N 3.03Å | ||
| 320 | V | 41.7 | Very low | 42.1 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -65.2 | 94.8 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | P318 L322 | P318-V320 PolarHBondContact O-N 3.48Å; V320-L322 VanDerWaalsContact C-N 3.31Å; V320-L322 PolarHBondContact O-N 3.1Å | ||
| 321 | K | 39.9 | Very low | 42 | Very low | 198 Ų | 198 | 158.9 Ų | 158.9 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -70.7 | 88.6 | 168.1 | -77.1 | -169.9 | 174.9 | -175.2 | 0 | 108.9 | S319 K323 | S319-K321 PolarHBondContact O-N 3.03Å; K321-K323 PolarHBondContact O-N 2.93Å | ||
| 322 | L | 39 | Very low | 41.8 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | trans | -64.4 | 106.9 | 169.5 | -169.9 | 66.2 | 0 | 0 | 0 | 108.7 | V320 R324 | V320-L322 VanDerWaalsContact C-N 3.31Å; V320-L322 PolarHBondContact O-N 3.1Å; L322-R324 PolarHBondContact O-N 2.64Å | ||
| 323 | K | 41.8 | Very low | 41.3 | Very low | 192 Ų | 192 | 156.9 Ų | 156.9 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -71.9 | 113.9 | -177.6 | -171 | -178.6 | -178.9 | -173.3 | 0 | 108.7 | K321 | K321-K323 PolarHBondContact O-N 2.93Š| ||
| 324 | R | 40 | Very low | 41 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -62 | 128.6 | 173.8 | -166 | -176.2 | -68.6 | -178.3 | -2.1 | 108.7 | L322 | L322-R324 PolarHBondContact O-N 2.64Š| ||
| 325 | P | 44.9 | Very low | 40.7 | Very low | 113 Ų | 113 | 157 Ų | 157 | 73% | 0.734 | 84% | 0.84 | S | S | * | * | trans | -68.4 | 168.3 | 170.5 | 30.1 | -34 | 0 | 0 | 0 | 110.9 | ||||
| 326 | S | 46.7 | Very low | 40.8 | Very low | 188 Ų | 188 | 161.2 Ų | 161.2 | 100% | 1.315 | 85% | 0.851 | S | S | * | * | trans | -79.6 | 0 | 177.4 | -169.9 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 326 of 326 residues in 400.6 ms
(Link to these results)