| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.2 | Very low | 48.7 | Very low | 249 Ų | 249 | 143.2 Ų | 143.2 | 100% | 1.227 | 81% | 0.814 | S | S | * | * | 0 | 97.8 | 0 | -97.3 | 177.1 | -109 | 0 | 0 | 109.2 | |||||
| 2 | A | 42.8 | Very low | 48.6 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | trans | -171.8 | 75.9 | 164 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | A | 52.7 | Low | 48.5 | Very low | 90 Ų | 90 | 158.2 Ų | 158.2 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | trans | -139.9 | 60.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | L | 48.9 | Very low | 48.5 | Very low | 167 Ų | 167 | 159.5 Ų | 159.5 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -145.7 | 39.8 | -176.8 | -67.2 | 176.8 | 0 | 0 | 0 | 112.6 | ||||
| 5 | A | 49.6 | Very low | 48.5 | Very low | 94 Ų | 94 | 158.3 Ų | 158.3 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -136.2 | 19.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 6 | S | 50.3 | Low | 47.9 | Very low | 107 Ų | 107 | 161.3 Ų | 161.3 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -117.6 | -7.5 | -174.5 | -37.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 7 | S | 47.9 | Very low | 47.3 | Very low | 82 Ų | 82 | 160.8 Ų | 160.8 | 57% | 0.573 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -97.2 | -15 | -170.8 | 41 | 0 | 0 | 0 | 0 | 115.1 | I9 | S7-I9 PolarHBondContact O-N 3.46Š|
| 8 | L | 50.9 | Low | 47.1 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -4.2 | -175.9 | -81.6 | 166.7 | 0 | 0 | 0 | 115.4 | ||
| 9 | I | 52.3 | Low | 46.6 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 80% | 0.795 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -13 | -178.6 | -61.2 | 174.5 | 0 | 0 | 0 | 112.3 | S7 | S7-I9 PolarHBondContact O-N 3.46Š|
| 10 | R | 51.1 | Low | 46.2 | Very low | 220 Ų | 220 | 156.6 Ų | 156.6 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -95.3 | -14.5 | 179.6 | -79.9 | -176 | 176.1 | -175.7 | -1.5 | 115.4 | R12 | R10-R12 PolarHBondContact O-N 3.45Š|
| 11 | Q | 45.8 | Very low | 46.1 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 73% | 0.729 | 83% | 0.828 | S | S | * | * | G | 310 helix | trans | -81.4 | -6.7 | -177.4 | -82.1 | -176 | -33.1 | 0 | 0 | 115.4 | R13 | Q11-R13 VanDerWaalsContact C-N 3.35Å; Q11-R13 PolarHBondContact O-N 3.1Å |
| 12 | R | 47.8 | Very low | 45.9 | Very low | 243 Ų | 243 | 156 Ų | 156 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | G | 310 helix | trans | -90.1 | 16.1 | 179.1 | -87.1 | -119.8 | -176.5 | 171.9 | 1 | 114.8 | R10 | R10-R12 PolarHBondContact O-N 3.45Š|
| 13 | R | 47.4 | Very low | 45.8 | Very low | 238 Ų | 238 | 159 Ų | 159 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | G | 310 helix | trans | -120.1 | -2.4 | 178.3 | -83.3 | -171 | -178.9 | 178.1 | 1.1 | 116.9 | Q11 | Q11-R13 VanDerWaalsContact C-N 3.35Å; Q11-R13 PolarHBondContact O-N 3.1Å |
| 14 | E | 48.3 | Very low | 45.4 | Very low | 177 Ų | 177 | 162.6 Ų | 162.6 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -122.8 | 20 | -171.6 | -76.1 | -178.9 | 174.8 | 0 | 0 | 116.2 | ||
| 15 | V | 48 | Very low | 44.8 | Very low | 142 Ų | 142 | 159.4 Ų | 159.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -130 | 80.2 | 168.5 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 16 | K | 39.4 | Very low | 44.8 | Very low | 205 Ų | 205 | 160.2 Ų | 160.2 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -161.4 | 97.7 | 149.9 | -158.2 | 162.9 | -176.1 | 173.1 | 0 | 111.2 | ||||
| 17 | D | 37.4 | Very low | 44.7 | Very low | 154 Ų | 154 | 164.7 Ų | 164.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -127 | 165.5 | 159.9 | -108.5 | -30.2 | 0 | 0 | 0 | 107.6 | ||||
| 18 | P | 44.5 | Very low | 44.7 | Very low | 106 Ų | 106 | 172.6 Ų | 172.6 | 69% | 0.688 | 83% | 0.834 | S | S | * | * | cis | -127.5 | -174.1 | -39.6 | 28.3 | -7.7 | 0 | 0 | 0 | 110.7 | ||||
| 19 | Q | 37.9 | Very low | 44.7 | Very low | 196 Ų | 196 | 174.9 Ų | 174.9 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | 67 | 96.4 | 167.9 | -72.4 | -176 | -25.2 | 0 | 0 | 118.9 | ||||
| 20 | A | 37.8 | Very low | 44.4 | Very low | 96 Ų | 96 | 173.6 Ų | 173.6 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -142.7 | 109.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R22 | A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | N | 45 | Very low | 43.8 | Very low | 153 Ų | 153 | 168.7 Ų | 168.7 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -45.9 | 106.7 | 173 | -168.8 | 11.2 | 0 | 0 | 0 | 110.9 | ||||
| 22 | R | 39.3 | Very low | 44 | Very low | 239 Ų | 239 | 167 Ų | 167 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -113.3 | 102.3 | 172.3 | -133.2 | 179.7 | -169.7 | -177.4 | 3.3 | 109 | A20 | A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.1Å | ||
| 23 | Q | 38.9 | Very low | 44.5 | Very low | 170 Ų | 170 | 165.9 Ų | 165.9 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | -54.7 | 135.4 | 176.7 | -67.6 | 176.2 | -17.7 | 0 | 0 | 111 | A25 | Q23-A25 PolarHBondContact O-N 3.27Š| ||
| 24 | I | 44.5 | Very low | 44.4 | Very low | 167 Ų | 167 | 159.9 Ų | 159.9 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | -62.2 | 116.9 | 174.8 | -65.5 | 161 | 0 | 0 | 0 | 108.1 | S26 | I24-S26 PolarHBondContact O-N 3.12Å; I24-S26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | A | 37.5 | Very low | 44.7 | Very low | 99 Ų | 99 | 158.9 Ų | 158.9 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -63.8 | 114.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q23 | Q23-A25 PolarHBondContact O-N 3.27Š| ||
| 26 | S | 48.8 | Very low | 44.8 | Very low | 111 Ų | 111 | 160.8 Ų | 160.8 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | trans | -64.4 | 152.1 | 176.1 | 57.6 | 0 | 0 | 0 | 0 | 111.6 | I24 | I24-S26 PolarHBondContact O-N 3.12Å; I24-S26 VanDerWaalsContact O-N 3.12Å | ||
| 27 | K | 48.8 | Very low | 45.7 | Very low | 201 Ų | 201 | 154.9 Ų | 154.9 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -42.7 | 133.6 | -177.6 | -61.1 | -174.1 | 176.6 | -176.7 | 0 | 112.9 | K29 | K27-K29 PolarHBondContact O-N 3.24Š| ||
| 28 | R | 46.9 | Very low | 46.4 | Very low | 249 Ų | 249 | 154.8 Ų | 154.8 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121.1 | 170.4 | -70.6 | -177.8 | 178.4 | 176.2 | -0.5 | 109.6 | ||
| 29 | K | 51.6 | Low | 46.9 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 143.6 | 170.9 | -71.3 | -177.7 | 177.7 | 179.4 | 0 | 110.2 | K27 | K27-K29 PolarHBondContact O-N 3.24Š|
| 30 | P | 46.4 | Very low | 47.6 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69 | 136.2 | 172.2 | -12.5 | 27.5 | 0 | 0 | 0 | 111 | ||
| 31 | C | 38.9 | Very low | 48.2 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 146.3 | 175.3 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 32 | P | 49.1 | Very low | 48.5 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.7 | 179.8 | 29.1 | -31.6 | 0 | 0 | 0 | 111.8 | S34 | P32-S34 PolarHBondContact O-N 3.41Š|
| 33 | K | 57.6 | Low | 49.3 | Very low | 220 Ų | 220 | 145.7 Ų | 145.7 | 96% | 0.957 | 76% | 0.763 | S | S | * | * | trans | -66.6 | 108.2 | 171.1 | -70.2 | 177.2 | 177.8 | 174.7 | 0 | 108.8 | ||||
| 34 | S | 46.6 | Very low | 50 | Low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | -107.9 | 140.6 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | P32 | P32-S34 PolarHBondContact O-N 3.41Š| ||
| 35 | N | 54.5 | Low | 50.5 | Low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.9 | -170.5 | -71.8 | -44.6 | 0 | 0 | 0 | 112.9 | S37 | N35-S37 PolarHBondContact O-N 3.12Š|
| 36 | K | 49.5 | Very low | 51.2 | Low | 182 Ų | 182 | 142.2 Ų | 142.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 119.4 | 180 | -62.1 | 179.5 | -179.4 | 177.7 | 0 | 109.9 | ||
| 37 | S | 57.6 | Low | 51.5 | Low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 152.6 | 174.3 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | N35 C39 Q40 | N35-S37 PolarHBondContact O-N 3.12Å; S37-C39 PolarHBondContact O-N 2.94Å; S37-Q40 PolarHBondContact O-N 3.27Å; S37-Q40 VanDerWaalsContact O-N 3.12Å |
| 38 | L | 53.9 | Low | 51.7 | Low | 151 Ų | 151 | 137.2 Ų | 137.2 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -16.3 | -176.1 | -141.3 | 105.7 | 0 | 0 | 0 | 113.9 | Q40 | L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.18Å |
| 39 | C | 54.4 | Low | 51.9 | Low | 87 Ų | 87 | 133.7 Ų | 133.7 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.7 | -11.4 | 178.6 | -68 | 0 | 0 | 0 | 0 | 114.4 | S37 | S37-C39 PolarHBondContact O-N 2.94Å |
| 40 | Q | 51.5 | Low | 52 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 51% | 0.505 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -86.3 | -20.6 | -179.1 | -129.6 | 172.7 | 15.6 | 0 | 0 | 113.8 | S37 L38 | S37-Q40 PolarHBondContact O-N 3.27Å; S37-Q40 VanDerWaalsContact O-N 3.12Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.18Å |
| 41 | K | 50.9 | Low | 52.1 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -82.5 | -28.6 | -179.6 | -71 | -177.1 | 178.1 | -179.7 | 0 | 113.1 | I45 | K41-I45 WeakPolarHBondContact O-CG1 3.3Å |
| 42 | Q | 51.9 | Low | 52.6 | Low | 133 Ų | 133 | 137.1 Ų | 137.1 | 62% | 0.621 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.3 | -30.5 | 177.6 | -91.9 | 164.8 | -9 | 0 | 0 | 113.5 | L44 I45 L46 | Q42-L44 PolarHBondContact O-N 3.02Å; Q42-I45 PolarHBondContact O-N 3.26Å; Q42-L46 PolarHBondContact O-N 3.48Å |
| 43 | I | 56.4 | Low | 52.6 | Low | 104 Ų | 104 | 137 Ų | 137 | 53% | 0.533 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -64.2 | -41 | 177.2 | -67.3 | 169.9 | 0 | 0 | 0 | 111.1 | I45 L46 I47 | I43-I45 VanDerWaalsContact C-N 3.32Å; I43-I45 PolarHBondContact O-N 3.04Å; I43-L46 PolarHBondContact O-N 2.85Å; I43-I47 HydrophobicContact CG2-CD1 3.8Å; I43-I47 WeakPolarHBondContact O-CD1 3.26Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 3.09Å; I43-I47 VanDerWaalsContact O-N 3.1Å |
| 44 | L | 53.6 | Low | 52.4 | Low | 126 Ų | 126 | 129.6 Ų | 129.6 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -68.5 | -30 | 177.3 | -80.3 | 161.2 | 0 | 0 | 0 | 113 | Q42 S48 | Q42-L44 PolarHBondContact O-N 3.02Å; L44-S48 PolarHBondContact O-N 3.2Å; L44-S48 PolarHBondContact O-OG 3.1Å |
| 45 | I | 54.8 | Low | 52.6 | Low | 100 Ų | 100 | 129.9 Ų | 129.9 | 51% | 0.513 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -74.5 | -31.8 | 175.1 | -66.5 | 171.1 | 0 | 0 | 0 | 111.2 | K41 Q42 I43 S48 | K41-I45 WeakPolarHBondContact O-CG1 3.3Å; Q42-I45 PolarHBondContact O-N 3.26Å; I43-I45 VanDerWaalsContact C-N 3.32Å; I43-I45 PolarHBondContact O-N 3.04Å; I45-S48 VanDerWaalsContact CA-OG 3.3Å; I45-S48 WeakPolarHBondContact CA-OG 3.31Å; I45-S48 PolarHBondContact O-OG 3.06Å |
| 46 | L | 51.8 | Low | 52.6 | Low | 137 Ų | 137 | 133.4 Ų | 133.4 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -69.8 | -38.6 | 174.2 | -133.2 | 88.1 | 0 | 0 | 0 | 111.8 | Q42 I43 S48 | Q42-L46 PolarHBondContact O-N 3.48Å; I43-L46 PolarHBondContact O-N 2.85Å; L46-S48 VanDerWaalsContact C-N 3.34Å |
| 47 | I | 55.3 | Low | 52.8 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 59% | 0.59 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -73.3 | -26.7 | 179.7 | -61.5 | 163.8 | 0 | 0 | 0 | 111.7 | I43 | I43-I47 HydrophobicContact CG2-CD1 3.8Å; I43-I47 WeakPolarHBondContact O-CD1 3.26Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.47Å; I43-I47 PolarHBondContact O-N 3.09Å; I43-I47 VanDerWaalsContact O-N 3.1Å |
| 48 | S | 53.2 | Low | 52.6 | Low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -6.6 | 179.5 | 41.3 | 0 | 0 | 0 | 0 | 114.7 | L44 I45 L46 | L44-S48 PolarHBondContact O-N 3.2Å; L44-S48 PolarHBondContact O-OG 3.1Å; I45-S48 VanDerWaalsContact CA-OG 3.3Å; I45-S48 WeakPolarHBondContact CA-OG 3.31Å; I45-S48 PolarHBondContact O-OG 3.06Å; L46-S48 VanDerWaalsContact C-N 3.34Å |
| 49 | K | 51.4 | Low | 52.6 | Low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 4.3 | 174.8 | -77.7 | -173.4 | 176.8 | 177.6 | 0 | 114.7 | R51 | K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.28Å |
| 50 | V | 51.6 | Low | 52.6 | Low | 110 Ų | 110 | 143 Ų | 143 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -76.5 | 92.4 | 166 | -168.5 | 0 | 0 | 0 | 0 | 107.5 | L52 | V50-L52 PolarHBondContact O-N 3.18Š|
| 51 | R | 48.9 | Very low | 53.2 | Low | 230 Ų | 230 | 146.4 Ų | 146.4 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | -50.1 | 106.8 | 170.8 | -163.9 | -179.9 | -141.9 | 137.8 | 1.3 | 108.1 | K49 C53 | K49-R51 VanDerWaalsContact C-N 3.31Å; K49-R51 PolarHBondContact O-N 3.28Å; R51-C53 PolarHBondContact O-N 3.45Å | ||
| 52 | L | 49.6 | Very low | 53.7 | Low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | -62.4 | 78.2 | 165.8 | -85.1 | 148.3 | 0 | 0 | 0 | 108.3 | V50 G54 | V50-L52 PolarHBondContact O-N 3.18Å; L52-G54 PolarHBondContact O-N 2.99Å | ||
| 53 | C | 48.8 | Very low | 54.2 | Low | 117 Ų | 117 | 152 Ų | 152 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -76.7 | 101.4 | 171.9 | -169 | 0 | 0 | 0 | 0 | 108.1 | R51 | R51-C53 PolarHBondContact O-N 3.45Š| ||
| 54 | G | 54.1 | Low | 54.8 | Low | 64 Ų | 64 | 152.4 Ų | 152.4 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | trans | 65.7 | 74.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | L52 R56 | L52-G54 PolarHBondContact O-N 2.99Å; G54-R56 PolarHBondContact O-N 3.28Å | ||
| 55 | S | 50.3 | Low | 55.5 | Low | 118 Ų | 118 | 151.1 Ų | 151.1 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -91.1 | 85.7 | 147.6 | -64.7 | 0 | 0 | 0 | 0 | 107.8 | G57 | S55-G57 PolarHBondContact O-N 3.14Å; S55-G57 VanDerWaalsContact O-N 3.16Å | ||
| 56 | R | 55.8 | Low | 56.3 | Low | 231 Ų | 231 | 150.4 Ų | 150.4 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -43.7 | 125.4 | 153.3 | -70.6 | 176.2 | -176.7 | 166.6 | 0.9 | 105.6 | G54 R58 | G54-R56 PolarHBondContact O-N 3.28Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.07Å | ||
| 57 | G | 52.5 | Low | 57.9 | Low | 78 Ų | 78 | 149.9 Ų | 149.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -49.5 | 101.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | S55 K59 | S55-G57 PolarHBondContact O-N 3.14Å; S55-G57 VanDerWaalsContact O-N 3.16Å; G57-K59 VanDerWaalsContact C-N 3.33Å; G57-K59 PolarHBondContact O-N 2.76Å | ||
| 58 | R | 53.4 | Low | 59.7 | Low | 240 Ų | 240 | 146.1 Ų | 146.1 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -58.9 | 110.8 | 163.8 | -83.7 | -177.4 | 175.3 | 176.2 | -1.8 | 102.2 | R56 M60 | R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.07Å; R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.95Å | ||
| 59 | K | 53.1 | Low | 61.7 | Low | 200 Ų | 200 | 148.8 Ų | 148.8 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | trans | -40.4 | 115.3 | 154.7 | -98.3 | -178.9 | 174.4 | 177.6 | 0 | 103.9 | G57 E61 | G57-K59 VanDerWaalsContact C-N 3.33Å; G57-K59 PolarHBondContact O-N 2.76Å; K59-E61 PolarHBondContact O-N 2.82Å | ||
| 60 | M | 56.1 | Low | 63.9 | Low | 184 Ų | 184 | 140.7 Ų | 140.7 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | trans | -61 | 94.5 | 173.7 | -165.6 | 174.7 | 167.7 | 0 | 0 | 103.5 | R58 K62 | R58-M60 VanDerWaalsContact C-N 3.34Å; R58-M60 PolarHBondContact O-N 2.95Å; M60-K62 PolarHBondContact O-N 3.4Å | ||
| 61 | E | 62.9 | Low | 66.1 | Low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | trans | -57.3 | 109 | 178.1 | -171.7 | 174 | -177.8 | 0 | 0 | 103.9 | K59 R63 | K59-E61 PolarHBondContact O-N 2.82Å; E61-R63 PolarHBondContact O-N 2.91Å | ||
| 62 | K | 62.2 | Low | 68.5 | Low | 191 Ų | 191 | 127.3 Ų | 127.3 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 117.3 | 179.3 | -89.6 | -175 | 174.8 | -177.1 | 0 | 105.1 | M60 | M60-K62 PolarHBondContact O-N 3.4Š|
| 63 | R | 63.2 | Low | 70.8 | Confident | 229 Ų | 229 | 119.1 Ų | 119.1 | 86% | 0.864 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 128 | 173.9 | -138.5 | 177.4 | -170.3 | 164.6 | 1.7 | 106.2 | E61 E65 | E61-R63 PolarHBondContact O-N 2.91Å; R63-E65 PolarHBondContact O-N 3.45Å; R63-E65 VanDerWaalsContact O-N 3.11Å |
| 64 | P | 68.2 | Low | 73.2 | Confident | 111 Ų | 111 | 116.6 Ų | 116.6 | 72% | 0.721 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 127 | 179 | 18.8 | -29.6 | 0 | 0 | 0 | 107.5 | ||
| 65 | E | 68.4 | Low | 75.3 | Confident | 100 Ų | 100 | 113.6 Ų | 113.6 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 143.3 | -178.4 | -69 | -168.6 | 155.3 | 0 | 0 | 109.4 | R63 Q67 R207 | R63-E65 PolarHBondContact O-N 3.45Å; R63-E65 VanDerWaalsContact O-N 3.11Å; E65-Q67 WeakPolarHBondContact O-CG 3.49Å; E65-Q67 PolarHBondContact O-N 3.24Å; E65-R207 VanDerWaalsContact CD-NH2 3.34Å; E65-R207 IonicContact OE1-CZ 3.46Å; E65-R207 IonicContact OE1-NE 3.67Å; E65-R207 IonicContact OE1-NH2 2.69Å; E65-R207 PolarHBondContact OE1-NH2 3.07Å; E65-R207 WeakPolarHBondContact OE2-CD 3.35Å; E65-R207 IonicContact OE2-CZ 3.16Å; E65-R207 IonicContact OE2-NE 2.69Å; E65-R207 PolarHBondContact OE2-NE 2.96Å; E65-R207 IonicContact OE2-NH2 3.26Å; E65-R207 PolarHBondContact OE2-NH2 3.09Å |
| 66 | P | 71.1 | Confident | 77.6 | Confident | 84 Ų | 84 | 111.3 Ų | 111.3 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | trans | -56.9 | 113.3 | 179.3 | 22 | -30.7 | 0 | 0 | 0 | 109.3 | ||||
| 67 | Q | 86.2 | Confident | 79.6 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.9 | 176.2 | -60.9 | -173.6 | 2.3 | 0 | 0 | 108.9 | E65 M205 Y206 | E65-Q67 WeakPolarHBondContact O-CG 3.49Å; E65-Q67 PolarHBondContact O-N 3.24Å; Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.4Å; Q67-Y206 CarbonylContact C-O 3.58Å; Q67-Y206 WeakPolarHBondContact CA-O 3.27Å |
| 68 | L | 92.8 | Very high | 81.8 | Confident | 37 Ų | 37 | 102.4 Ų | 102.4 | 19% | 0.194 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.6 | 174.2 | -59.5 | 173.7 | 0 | 0 | 0 | 108.9 | G70 I107 P108 M205 Y206 E208 | L68-G70 PolarHBondContact O-N 2.82Å; L68-I107 HydrophobicContact CB-CG2 4.35Å; L68-I107 HydrophobicContact CD1-CG2 3.76Å; L68-P108 HydrophobicContact CB-CG 4.39Å; L68-P108 WeakPolarHBondContact CD1-O 3.45Å; L68-M205 WeakPolarHBondContact O-CA 3.38Å; L68-Y206 PolarHBondContact N-O 3.29Å; L68-Y206 PolarHBondContact O-N 3.29Å; L68-E208 HydrophobicContact CD1-CB 4.09Å; L68-E208 HydrophobicContact CD1-CG 4.24Å; L68-E208 HydrophobicContact CG-CB 4.47Å |
| 69 | K | 95.8 | Very high | 83.9 | Confident | 147 Ų | 147 | 93.4 Ų | 93.4 | 64% | 0.639 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 101.1 | 174.3 | -173.8 | 178.5 | -177.7 | 179.1 | 0 | 109.4 | P108 V203 M205 | K69-P108 VanDerWaalsContact O-CG 3.3Å; K69-P108 WeakPolarHBondContact O-CG 3.48Å; K69-V203 HydrophobicContact CD-CG1 4.33Å; K69-V203 VanDerWaalsContact CE-CG1 3.44Å; K69-V203 HydrophobicContact CG-CG1 3.89Å; K69-M205 HydrophobicContact CB-CE 4.29Å; K69-M205 HydrophobicContact CB-SD 3.9Å; K69-M205 HydrophobicContact CG-SD 4Å |
| 70 | G | 96.9 | Very high | 86 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -164.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L68 L106 A204 | L68-G70 PolarHBondContact O-N 2.82Å; G70-L106 VanDerWaalsContact CA-O 3.3Å; G70-L106 WeakPolarHBondContact CA-O 3.3Å; G70-A204 PolarHBondContact N-O 3.28Å; G70-A204 PolarHBondContact O-N 2.97Å; G70-A204 VanDerWaalsContact O-N 3.09Å |
| 71 | I | 97.9 | Very high | 88.1 | Confident | 49 Ų | 49 | 77 Ų | 77 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.6 | 177.5 | 63.6 | 176.3 | 0 | 0 | 0 | 111.4 | T73 L106 L200 E202 V203 Y206 | I71-T73 HydrophobicContact CD1-CG2 4.2Å; I71-T73 HydrophobicContact CG1-CG2 4.3Å; I71-L106 HydrophobicContact CD1-CB 4.41Å; I71-L106 HydrophobicContact CD1-CD2 4.47Å; I71-L106 HydrophobicContact CG1-CB 3.73Å; I71-L106 PolarHBondContact N-O 2.75Å; I71-L106 VanDerWaalsContact N-O 3.12Å; I71-L106 PolarHBondContact O-N 2.95Å; I71-L200 HydrophobicContact CB-CD1 3.66Å; I71-L200 HydrophobicContact CD1-CD1 4.15Å; I71-L200 HydrophobicContact CG1-CD1 4.44Å; I71-L200 HydrophobicContact CG2-CD1 3.7Å; I71-E202 CarbonylContact C-O 3.51Å; I71-E202 WeakPolarHBondContact CA-O 3.38Å; I71-V203 HydrophobicContact CG2-CG2 4.3Å; I71-Y206 PolarHBondContact O-OH 3.39Å |
| 72 | V | 98.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.3 | 160.4 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | Q103 F104 T119 I201 E202 A204 Y206 | V72-Q103 HydrophobicContact CG1-CB 4.49Å; V72-F104 CarbonylContact C-O 3.58Å; V72-F104 WeakPolarHBondContact CA-O 3.31Å; V72-T119 HydrophobicContact CG1-CG2 4.04Å; V72-I201 HydrophobicContact CB-CB 4.43Å; V72-I201 HydrophobicContact CG1-CB 4.32Å; V72-I201 HydrophobicContact CG1-CD1 4.08Å; V72-I201 WeakPolarHBondContact O-CB 3.47Å; V72-I201 PolarHBondContact O-N 3.26Å; V72-E202 HydrophobicContact CB-CG 3.79Å; V72-E202 HydrophobicContact CG2-CG 3.82Å; V72-E202 PolarHBondContact N-O 2.86Å; V72-E202 PolarHBondContact O-N 3.5Å; V72-A204 HydrophobicContact CG2-CB 4.26Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å |
| 73 | T | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.5 | -175.1 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | I71 L75 F104 L106 K199 | I71-T73 HydrophobicContact CD1-CG2 4.2Å; I71-T73 HydrophobicContact CG1-CG2 4.3Å; T73-L75 HydrophobicContact CG2-CD2 4.14Å; T73-F104 PolarHBondContact N-O 2.71Å; T73-F104 PolarHBondContact O-N 2.91Å; T73-L106 HydrophobicContact CG2-CB 4.31Å; T73-L106 HydrophobicContact CG2-CD1 3.66Å; T73-L106 HydrophobicContact CG2-CD2 4Å; T73-L106 HydrophobicContact CG2-CG 4.19Å; T73-K199 WeakPolarHBondContact CA-O 3.4Å; T73-K199 PolarHBondContact OG1-N 2.95Å; T73-K199 PolarHBondContact OG1-O 3.29Å |
| 74 | R | 98.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 24% | 0.242 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 146 | 160 | -51.5 | -180 | 178 | -178.7 | -8 | 109.3 | Y82 E97 L102 P198 K199 I201 | R74-Y82 HydrophobicContact CB-CD1 3.87Å; R74-Y82 HydrophobicContact CB-CE1 4.03Å; R74-E97 PolarHBondContact NH1-O 3.45Å; R74-L102 WeakPolarHBondContact CA-O 3.4Å; R74-L102 HydrophobicContact CG-CB 4.18Å; R74-P198 WeakPolarHBondContact O-CA 3.12Å; R74-K199 HydrophobicContact CB-CB 4.35Å; R74-K199 PolarHBondContact N-O 3.33Å; R74-K199 PolarHBondContact O-N 3.41Å; R74-I201 HydrophobicContact CG-CD1 3.86Å; R74-I201 HydrophobicContact CG-CG1 4.5Å |
| 75 | L | 98.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 101.9 | 178.9 | -65 | 177.4 | 0 | 0 | 0 | 109.8 | T73 Y82 L83 L106 I116 Y157 F196 P198 | T73-L75 HydrophobicContact CG2-CD2 4.14Å; L75-Y82 WeakPolarHBondContact O-CA 3.34Å; L75-L83 HydrophobicContact CB-CB 4.15Å; L75-L83 HydrophobicContact CD1-CD2 4.01Å; L75-L83 PolarHBondContact O-N 3.09Å; L75-L106 HydrophobicContact CD1-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD2 4.4Å; L75-I116 HydrophobicContact CD1-CD1 4.26Å; L75-I116 HydrophobicContact CD1-CG2 4.17Å; L75-Y157 HydrophobicContact CD2-CE2 4.1Å; L75-F196 HydrophobicContact CB-CD1 4.1Å; L75-P198 HydrophobicContact CD2-CB 4.3Å; L75-P198 HydrophobicContact CD2-CG 4.29Å |
| 76 | Y | 98.6 | Very high | 96 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 113.7 | -178.4 | -177.1 | -107.1 | 0 | 0 | 0 | 111.2 | G80 Y82 F196 L197 | Y76-G80 WeakPolarHBondContact OH-CA 3.14Å; Y76-Y82 HydrophobicContact CD2-CD1 4Å; Y76-Y82 AromaticContact CD2-CD2 3.88Å; Y76-Y82 HydrophobicContact CD2-CD2 3.88Å; Y76-Y82 AromaticContact CD2-CE1 3.82Å; Y76-Y82 HydrophobicContact CD2-CE1 3.82Å; Y76-Y82 AromaticContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CG 4.06Å; Y76-Y82 AromaticContact CD2-CZ 3.66Å; Y76-Y82 HydrophobicContact CE2-CD2 4.31Å; Y76-Y82 AromaticContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CG-CE1 4.29Å; Y76-F196 CarbonylContact O-C 3.59Å; Y76-F196 WeakPolarHBondContact O-CA 3.43Å; Y76-L197 PolarHBondContact N-O 2.97Å; Y76-L197 PolarHBondContact O-N 2.83Å |
| 77 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 141.4 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 111 | H79 G80 F81 I175 H195 F196 | C77-H79 PolarHBondContact O-N 2.9Å; C77-H79 PolarHBondContact SG-N 2.94Å; C77-G80 PolarHBondContact O-N 2.85Å; C77-F81 WeakPolarHBondContact CB-O 3.39Å; C77-F81 PolarHBondContact N-O 2.8Å; C77-I175 HydrophobicContact CB-CB 4.38Å; C77-I175 HydrophobicContact CB-CD1 4.1Å; C77-H195 CarbonylContact C-O 3.48Å; C77-H195 WeakPolarHBondContact CA-O 3.18Å; C77-F196 HydrophobicContact CB-CD1 4.06Å; C77-F196 HydrophobicContact CB-CE1 3.82Å; C77-F196 HydrophobicContact CB-CZ 4.44Å |
| 78 | R | 98 | Very high | 97.7 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 46% | 0.457 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26.9 | 174.9 | -178.7 | 178.9 | -176.4 | 180 | 4.8 | 113.4 | G80 Y154 H195 | R78-G80 PolarHBondContact O-N 3.37Å; R78-Y154 HydrophobicContact CB-CD1 4.49Å; R78-Y154 HydrophobicContact CB-CE1 3.86Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.5Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 WeakPolarHBondContact CG-OH 3.2Å; R78-Y154 PolarHBondContact NE-OH 3Å; R78-H195 HydrophobicContact CB-CB 3.76Å; R78-H195 PolarHBondContact N-O 2.81Å; R78-H195 PolarHBondContact NH1-CE1 3.37Å; R78-H195 PolarHBondContact NH1-ND1 2.89Å |
| 79 | H | 98.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 0.4 | 175.9 | -69.2 | 165.8 | 0 | 0 | 0 | 114.5 | C77 F81 I175 N176 A193 | C77-H79 PolarHBondContact O-N 2.9Å; C77-H79 PolarHBondContact SG-N 2.94Å; H79-F81 HydrophobicContact CB-CD2 4.23Å; H79-F81 WeakPolarHBondContact O-CD2 3.46Å; H79-F81 WeakPolarHBondContact O-CE2 3.44Å; H79-I175 PolarHBondContact ND1-O 2.89Å; H79-N176 PolarHBondContact ND1-O 2.8Å; H79-A193 VanDerWaalsContact CE1-CA 3.4Å; H79-A193 WeakPolarHBondContact CE1-CA 3.37Å; H79-A193 PolarHBondContact CE1-N 2.68Å; H79-A193 PolarHBondContact NE2-N 3.42Å |
| 80 | G | 98.2 | Very high | 97.8 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 20.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y76 C77 R78 | Y76-G80 WeakPolarHBondContact OH-CA 3.14Å; C77-G80 PolarHBondContact O-N 2.85Å; R78-G80 PolarHBondContact O-N 3.37Å |
| 81 | F | 98.7 | Very high | 97.8 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.6 | -176.9 | -61.2 | -91.4 | 0 | 0 | 0 | 110.7 | C77 H79 G93 T94 K95 I175 R177 | C77-F81 WeakPolarHBondContact CB-O 3.39Å; C77-F81 PolarHBondContact N-O 2.8Å; H79-F81 HydrophobicContact CB-CD2 4.23Å; H79-F81 WeakPolarHBondContact O-CD2 3.46Å; H79-F81 WeakPolarHBondContact O-CE2 3.44Å; F81-G93 WeakPolarHBondContact CD1-O 3.46Å; F81-T94 CarbonylContact C-O 3.58Å; F81-T94 WeakPolarHBondContact CA-O 3.42Å; F81-K95 HydrophobicContact CD1-CG 3.77Å; F81-K95 HydrophobicContact CE1-CD 4.21Å; F81-K95 HydrophobicContact CE1-CG 3.81Å; F81-I175 HydrophobicContact CB-CG2 4.45Å; F81-R177 WeakPolarHBondContact CE2-O 3.38Å |
| 82 | Y | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137.7 | 163.8 | -67.5 | -90.2 | 0 | 0 | 0 | 109.7 | R74 L75 Y76 Q84 G93 T94 E97 L102 K199 | R74-Y82 HydrophobicContact CB-CD1 3.87Å; R74-Y82 HydrophobicContact CB-CE1 4.03Å; L75-Y82 WeakPolarHBondContact O-CA 3.34Å; Y76-Y82 HydrophobicContact CD2-CD1 4Å; Y76-Y82 AromaticContact CD2-CD2 3.88Å; Y76-Y82 HydrophobicContact CD2-CD2 3.88Å; Y76-Y82 AromaticContact CD2-CE1 3.82Å; Y76-Y82 HydrophobicContact CD2-CE1 3.82Å; Y76-Y82 AromaticContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CE2 3.64Å; Y76-Y82 HydrophobicContact CD2-CG 4.06Å; Y76-Y82 AromaticContact CD2-CZ 3.66Å; Y76-Y82 HydrophobicContact CE2-CD2 4.31Å; Y76-Y82 AromaticContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CE2-CE2 3.93Å; Y76-Y82 HydrophobicContact CG-CE1 4.29Å; Y82-Q84 PolarHBondContact O-N 3.06Å; Y82-G93 CarbonylContact O-C 3.53Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.48Å; Y82-T94 PolarHBondContact N-O 3.1Å; Y82-T94 PolarHBondContact O-N 3.03Å; Y82-E97 HydrophobicContact CD2-CG 4.44Å; Y82-E97 HydrophobicContact CE2-CB 4.35Å; Y82-E97 HydrophobicContact CE2-CG 3.63Å; Y82-E97 WeakPolarHBondContact CE2-OE1 3.42Å; Y82-E97 VanDerWaalsContact CZ-OE1 3.31Å; Y82-E97 PolarHBondContact OH-OE1 2.9Å; Y82-L102 HydrophobicContact CD1-CD1 4.44Å; Y82-L102 HydrophobicContact CD2-CD1 4.41Å; Y82-L102 HydrophobicContact CG-CD1 4.06Å; Y82-K199 HydrophobicContact CE1-CD 3.95Å; Y82-K199 PolarHBondContact OH-NZ 3.48Å |
| 83 | L | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 134.7 | 164 | -174.2 | 66.7 | 0 | 0 | 0 | 108.7 | L75 F104 I175 V181 | L75-L83 HydrophobicContact CB-CB 4.15Å; L75-L83 HydrophobicContact CD1-CD2 4.01Å; L75-L83 PolarHBondContact O-N 3.09Å; L83-F104 HydrophobicContact CB-CE2 4.21Å; L83-F104 HydrophobicContact CB-CZ 4.46Å; L83-F104 HydrophobicContact CD2-CE1 4.46Å; L83-F104 HydrophobicContact CD2-CE2 4.26Å; L83-F104 HydrophobicContact CD2-CZ 4.01Å; L83-F104 HydrophobicContact CG-CE2 4.18Å; L83-F104 HydrophobicContact CG-CZ 3.93Å; L83-F104 WeakPolarHBondContact O-CE2 3.46Å; L83-I175 HydrophobicContact CB-CD1 4.27Å; L83-I175 HydrophobicContact CD1-CD1 4.07Å; L83-V181 HydrophobicContact CD1-CG2 4.19Å |
| 84 | Q | 97.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142 | 178.3 | -176.6 | 172.7 | 11.9 | 0 | 0 | 109.3 | Y82 L86 M91 E92 T94 S99 F101 L102 | Y82-Q84 PolarHBondContact O-N 3.06Å; Q84-L86 HydrophobicContact CG-CD2 4.07Å; Q84-L86 VanDerWaalsContact NE2-CD2 3.28Å; Q84-M91 WeakPolarHBondContact O-CA 3.47Å; Q84-E92 PolarHBondContact N-O 3.42Å; Q84-E92 PolarHBondContact O-N 2.94Å; Q84-E92 VanDerWaalsContact O-N 3.11Å; Q84-T94 HydrophobicContact CB-CG2 4.02Å; Q84-T94 HydrophobicContact CG-CG2 4.45Å; Q84-S99 PolarHBondContact NE2-OG 2.94Å; Q84-F101 HydrophobicContact CG-CB 3.63Å; Q84-L102 HydrophobicContact CB-CD2 3.79Å; Q84-L102 HydrophobicContact CG-CD2 4.04Å |
| 85 | M | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.7 | 169.5 | -177.8 | -177.7 | -64.3 | 0 | 0 | 109.8 | T90 M91 F101 F104 S118 T121 L123 V125 T135 | M85-T90 WeakPolarHBondContact CA-O 3.31Å; M85-M91 HydrophobicContact CB-CG 4.49Å; M85-M91 HydrophobicContact CE-CG 4.14Å; M85-M91 HydrophobicContact CE-SD 3.97Å; M85-M91 HydrophobicContact CG-CG 4.34Å; M85-F101 PolarHBondContact N-O 2.76Å; M85-F101 WeakPolarHBondContact O-CB 3.47Å; M85-F104 HydrophobicContact CB-CE1 4.04Å; M85-F104 HydrophobicContact CB-CZ 4.14Å; M85-F104 HydrophobicContact CE-CE1 4.27Å; M85-S118 WeakPolarHBondContact SD-CB 3.28Å; M85-T121 PolarHBondContact SD-OG1 3.43Å; M85-T121 VanDerWaalsContact SD-OG1 3.35Å; M85-L123 HydrophobicContact SD-CB 3.76Å; M85-L123 HydrophobicContact SD-CD1 4.44Å; M85-V125 HydrophobicContact CE-CG2 3.66Å; M85-T135 HydrophobicContact CE-CG2 3.53Å; M85-T135 HydrophobicContact CG-CG2 4.17Å; M85-T135 HydrophobicContact SD-CG2 3.76Å |
| 86 | L | 97.6 | Very high | 97.7 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.199 | 24% | 0.239 | C | C | . | . | trans | -75.8 | 161.6 | -179.4 | -64.8 | -179.4 | 0 | 0 | 0 | 111.8 | Q84 D88 G89 T90 F101 | Q84-L86 HydrophobicContact CG-CD2 4.07Å; Q84-L86 VanDerWaalsContact NE2-CD2 3.28Å; L86-D88 WeakPolarHBondContact CB-OD1 3.32Å; L86-D88 PolarHBondContact O-N 3.17Å; L86-G89 PolarHBondContact O-N 3.44Å; L86-T90 HydrophobicContact CD1-CG2 4.4Å; L86-T90 PolarHBondContact N-O 2.92Å; L86-F101 HydrophobicContact CD2-CD2 4.27Å | ||
| 87 | P | 96.7 | Very high | 97.6 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 57% | 0.571 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.3 | 180 | -26.1 | 35.1 | 0 | 0 | 0 | 115.2 | G89 F101 | P87-G89 PolarHBondContact O-N 3.34Å; P87-F101 HydrophobicContact CG-CD1 4.4Å; P87-F101 HydrophobicContact CG-CE1 3.49Å; P87-F101 VanDerWaalsContact CG-CE1 3.49Å; P87-F101 HydrophobicContact CG-CE2 4.44Å; P87-F101 HydrophobicContact CG-CZ 3.51Å |
| 88 | D | 96 | Very high | 97.4 | Very high | 114 Ų | 114 | 52.8 Ų | 52.8 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.3 | 176.4 | 67.3 | -19.5 | 0 | 0 | 0 | 113.1 | L86 T90 | L86-D88 WeakPolarHBondContact CB-OD1 3.32Å; L86-D88 PolarHBondContact O-N 3.17Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 VanDerWaalsContact OD1-CB 3.22Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 3.18Å; D88-T90 PolarHBondContact OD1-OG1 2.95Å; D88-T90 WeakPolarHBondContact OD2-CB 3.41Å; D88-T90 PolarHBondContact OD2-OG1 3.17Å |
| 89 | G | 94.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 85.8 | -0.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L86 P87 M91 T135 | L86-G89 PolarHBondContact O-N 3.44Å; P87-G89 PolarHBondContact O-N 3.34Å; G89-M91 PolarHBondContact O-N 3.16Å; G89-T135 WeakPolarHBondContact O-CG2 3.44Å |
| 90 | T | 97.3 | Very high | 97 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | trans | -67 | 131 | 177.5 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | M85 L86 D88 | M85-T90 WeakPolarHBondContact CA-O 3.31Å; L86-T90 HydrophobicContact CD1-CG2 4.4Å; L86-T90 PolarHBondContact N-O 2.92Å; D88-T90 VanDerWaalsContact C-N 3.32Å; D88-T90 VanDerWaalsContact OD1-CB 3.22Å; D88-T90 WeakPolarHBondContact OD1-CB 3.32Å; D88-T90 PolarHBondContact OD1-N 3.18Å; D88-T90 PolarHBondContact OD1-OG1 2.95Å; D88-T90 WeakPolarHBondContact OD2-CB 3.41Å; D88-T90 PolarHBondContact OD2-OG1 3.17Å | ||
| 91 | M | 97.4 | Very high | 97 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126 | 174.6 | -69.1 | -174.5 | -70 | 0 | 0 | 110.5 | Q84 M85 G89 V125 L133 Y134 T135 V181 | Q84-M91 WeakPolarHBondContact O-CA 3.47Å; M85-M91 HydrophobicContact CB-CG 4.49Å; M85-M91 HydrophobicContact CE-CG 4.14Å; M85-M91 HydrophobicContact CE-SD 3.97Å; M85-M91 HydrophobicContact CG-CG 4.34Å; G89-M91 PolarHBondContact O-N 3.16Å; M91-V125 HydrophobicContact CE-CG1 4.46Å; M91-V125 HydrophobicContact SD-CB 4.34Å; M91-V125 HydrophobicContact SD-CG1 3.91Å; M91-V125 HydrophobicContact SD-CG2 3.91Å; M91-L133 HydrophobicContact CE-CB 3.63Å; M91-Y134 VanDerWaalsContact CE-C 3.48Å; M91-Y134 WeakPolarHBondContact CE-O 3.24Å; M91-T135 HydrophobicContact CE-CG2 4.22Å; M91-T135 HydrophobicContact CG-CG2 3.98Å; M91-T135 HydrophobicContact SD-CG2 4.1Å; M91-V181 HydrophobicContact CB-CG2 4.1Å; M91-V181 VanDerWaalsContact O-CG2 3.24Å; M91-V181 WeakPolarHBondContact O-CG2 3.15Å |
| 92 | E | 97.5 | Very high | 97 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 175.7 | -180 | 64.9 | 179.4 | -173 | 0 | 0 | 111.6 | Q84 | Q84-E92 PolarHBondContact N-O 3.42Å; Q84-E92 PolarHBondContact O-N 2.94Å; Q84-E92 VanDerWaalsContact O-N 3.11Å |
| 93 | G | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 125.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | F81 Y82 G179 | F81-G93 WeakPolarHBondContact CD1-O 3.46Å; Y82-G93 CarbonylContact O-C 3.53Å; Y82-G93 VanDerWaalsContact O-CA 3.25Å; Y82-G93 WeakPolarHBondContact O-CA 3.48Å; G93-G179 WeakPolarHBondContact CA-O 3.44Å; G93-G179 PolarHBondContact N-O 3.47Å |
| 94 | T | 98.2 | Very high | 97 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 155.8 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 112.1 | F81 Y82 Q84 D96 L102 | F81-T94 CarbonylContact C-O 3.58Å; F81-T94 WeakPolarHBondContact CA-O 3.42Å; Y82-T94 PolarHBondContact N-O 3.1Å; Y82-T94 PolarHBondContact O-N 3.03Å; Q84-T94 HydrophobicContact CB-CG2 4.02Å; Q84-T94 HydrophobicContact CG-CG2 4.45Å; T94-D96 PolarHBondContact OG1-N 3.32Å; T94-D96 VanDerWaalsContact OG1-N 3.16Å; T94-L102 HydrophobicContact CG2-CD2 3.47Å; T94-L102 VanDerWaalsContact CG2-CD2 3.47Å |
| 95 | K | 97.8 | Very high | 97 | Very high | 148 Ų | 148 | 50.8 Ų | 50.8 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | trans | -95.3 | -11.5 | 170 | -65.6 | -178.3 | 179.6 | 175.1 | 0 | 112.5 | F81 E97 | F81-K95 HydrophobicContact CD1-CG 3.77Å; F81-K95 HydrophobicContact CE1-CD 4.21Å; F81-K95 HydrophobicContact CE1-CG 3.81Å; K95-E97 PolarHBondContact O-N 3.3Å; K95-E97 VanDerWaalsContact O-N 3.13Å | ||
| 96 | D | 96.9 | Very high | 97 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | trans | -72.2 | 103.8 | 179.1 | 173.3 | 22.2 | 0 | 0 | 0 | 110.2 | T94 S98 S99 L102 | T94-D96 PolarHBondContact OG1-N 3.32Å; T94-D96 VanDerWaalsContact OG1-N 3.16Å; D96-S98 PolarHBondContact O-N 2.9Å; D96-S98 WeakPolarHBondContact OD1-CB 3.3Å; D96-S98 PolarHBondContact OD1-N 2.84Å; D96-S98 PolarHBondContact OD1-OG 3.39Å; D96-S98 PolarHBondContact OD2-OG 3.27Å; D96-S99 PolarHBondContact OD2-N 3.45Å; D96-L102 WeakPolarHBondContact O-CD1 3.37Å | ||
| 97 | E | 95.7 | Very high | 97 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -14 | 179.6 | -48.5 | -154.2 | 134.3 | 0 | 0 | 113.8 | R74 Y82 K95 | R74-E97 PolarHBondContact NH1-O 3.45Å; Y82-E97 HydrophobicContact CD2-CG 4.44Å; Y82-E97 HydrophobicContact CE2-CB 4.35Å; Y82-E97 HydrophobicContact CE2-CG 3.63Å; Y82-E97 WeakPolarHBondContact CE2-OE1 3.42Å; Y82-E97 VanDerWaalsContact CZ-OE1 3.31Å; Y82-E97 PolarHBondContact OH-OE1 2.9Å; K95-E97 PolarHBondContact O-N 3.3Å; K95-E97 VanDerWaalsContact O-N 3.13Å |
| 98 | S | 94.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 47.5 Ų | 47.5 | 71% | 0.713 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -13.9 | -178.7 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | D96 S100 | D96-S98 PolarHBondContact O-N 2.9Å; D96-S98 WeakPolarHBondContact OD1-CB 3.3Å; D96-S98 PolarHBondContact OD1-N 2.84Å; D96-S98 PolarHBondContact OD1-OG 3.39Å; D96-S98 PolarHBondContact OD2-OG 3.27Å; S98-S100 PolarHBondContact O-N 2.81Å |
| 99 | S | 94.8 | Very high | 97.1 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -56.2 | 130.3 | 178.4 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | Q84 D96 F101 L102 | Q84-S99 PolarHBondContact NE2-OG 2.94Å; D96-S99 PolarHBondContact OD2-N 3.45Å; S99-F101 PolarHBondContact O-N 3.18Å; S99-F101 PolarHBondContact OG-N 3.09Å; S99-L102 WeakPolarHBondContact O-CG 3.26Å | ||
| 100 | S | 94.3 | Very high | 97.2 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -73.9 | -12.7 | 177.9 | 81.9 | 0 | 0 | 0 | 0 | 112.9 | S98 L102 K120 | S98-S100 PolarHBondContact O-N 2.81Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 3.38Å; S100-K120 WeakPolarHBondContact O-CE 3.31Å; S100-K120 VanDerWaalsContact O-CG 3.22Å; S100-K120 WeakPolarHBondContact O-CG 3.13Å |
| 101 | F | 97.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -89 | 8.5 | -175.4 | -60.6 | -65.8 | 0 | 0 | 0 | 114.3 | Q84 M85 L86 P87 S99 K120 | Q84-F101 HydrophobicContact CG-CB 3.63Å; M85-F101 PolarHBondContact N-O 2.76Å; M85-F101 WeakPolarHBondContact O-CB 3.47Å; L86-F101 HydrophobicContact CD2-CD2 4.27Å; P87-F101 HydrophobicContact CG-CD1 4.4Å; P87-F101 HydrophobicContact CG-CE1 3.49Å; P87-F101 VanDerWaalsContact CG-CE1 3.49Å; P87-F101 HydrophobicContact CG-CE2 4.44Å; P87-F101 HydrophobicContact CG-CZ 3.51Å; S99-F101 PolarHBondContact O-N 3.18Å; S99-F101 PolarHBondContact OG-N 3.09Å; F101-K120 HydrophobicContact CD1-CB 4.01Å; F101-K120 HydrophobicContact CD1-CG 4.09Å; F101-K120 HydrophobicContact CE1-CB 4.27Å; F101-K120 HydrophobicContact CE1-CG 4.49Å |
| 102 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -91.5 | -5.9 | -179.5 | -51.7 | -178.5 | 0 | 0 | 0 | 113.8 | R74 Y82 Q84 T94 D96 S99 S100 F104 | R74-L102 WeakPolarHBondContact CA-O 3.4Å; R74-L102 HydrophobicContact CG-CB 4.18Å; Y82-L102 HydrophobicContact CD1-CD1 4.44Å; Y82-L102 HydrophobicContact CD2-CD1 4.41Å; Y82-L102 HydrophobicContact CG-CD1 4.06Å; Q84-L102 HydrophobicContact CB-CD2 3.79Å; Q84-L102 HydrophobicContact CG-CD2 4.04Å; T94-L102 HydrophobicContact CG2-CD2 3.47Å; T94-L102 VanDerWaalsContact CG2-CD2 3.47Å; D96-L102 WeakPolarHBondContact O-CD1 3.37Å; S99-L102 WeakPolarHBondContact O-CG 3.26Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-L102 PolarHBondContact O-N 3.38Å; L102-F104 VanDerWaalsContact O-CD2 3.3Å; L102-F104 WeakPolarHBondContact O-CD2 3.49Å; L102-F104 WeakPolarHBondContact O-CE2 3.29Å |
| 103 | Q | 98.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | trans | -90.7 | 125.6 | -172.6 | -67.3 | -176.9 | -26.7 | 0 | 0 | 110.1 | V72 T119 I201 | V72-Q103 HydrophobicContact CG1-CB 4.49Å; Q103-T119 HydrophobicContact CB-CG2 3.95Å; Q103-T119 WeakPolarHBondContact CB-OG1 3.5Å; Q103-T119 PolarHBondContact O-N 2.98Å; Q103-T119 PolarHBondContact O-OG1 3.24Å; Q103-I201 HydrophobicContact CG-CD1 3.74Å | ||
| 104 | F | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140 | 178 | -62.3 | -87.6 | 0 | 0 | 0 | 111.3 | V72 T73 L83 M85 L102 L106 I116 Q117 V125 | V72-F104 CarbonylContact C-O 3.58Å; V72-F104 WeakPolarHBondContact CA-O 3.31Å; T73-F104 PolarHBondContact N-O 2.71Å; T73-F104 PolarHBondContact O-N 2.91Å; L83-F104 HydrophobicContact CB-CE2 4.21Å; L83-F104 HydrophobicContact CB-CZ 4.46Å; L83-F104 HydrophobicContact CD2-CE1 4.46Å; L83-F104 HydrophobicContact CD2-CE2 4.26Å; L83-F104 HydrophobicContact CD2-CZ 4.01Å; L83-F104 HydrophobicContact CG-CE2 4.18Å; L83-F104 HydrophobicContact CG-CZ 3.93Å; L83-F104 WeakPolarHBondContact O-CE2 3.46Å; M85-F104 HydrophobicContact CB-CE1 4.04Å; M85-F104 HydrophobicContact CB-CZ 4.14Å; M85-F104 HydrophobicContact CE-CE1 4.27Å; L102-F104 VanDerWaalsContact O-CD2 3.3Å; L102-F104 WeakPolarHBondContact O-CD2 3.49Å; L102-F104 WeakPolarHBondContact O-CE2 3.29Å; F104-L106 HydrophobicContact CB-CD1 4.27Å; F104-I116 HydrophobicContact CB-CG2 4.02Å; F104-I116 HydrophobicContact CD1-CG2 3.73Å; F104-I116 HydrophobicContact CG-CG2 4.02Å; F104-Q117 CarbonylContact C-O 3.53Å; F104-Q117 WeakPolarHBondContact CA-O 3.41Å; F104-V125 HydrophobicContact CE1-CG2 4.45Å |
| 105 | N | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 117.6 | 161.7 | -59.9 | -41.7 | 0 | 0 | 0 | 108.4 | I107 I116 Q117 T119 Y206 | N105-I107 HydrophobicContact CB-CD1 4.19Å; N105-I107 HydrophobicContact CB-CG1 3.98Å; N105-I116 WeakPolarHBondContact O-CA 3.36Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.5Å; N105-Q117 PolarHBondContact ND2-OE1 3.21Å; N105-Q117 PolarHBondContact O-N 3.12Å; N105-T119 WeakPolarHBondContact OD1-CG2 3.3Å; N105-Y206 HydrophobicContact CB-CE1 3.66Å; N105-Y206 WeakPolarHBondContact CB-OH 3.08Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.22Å; N105-Y206 PolarHBondContact OD1-OH 3.19Å |
| 106 | L | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 101.4 | 167.1 | -105.2 | 65.3 | 0 | 0 | 0 | 108.4 | G70 I71 T73 L75 F104 I116 Y157 | G70-L106 VanDerWaalsContact CA-O 3.3Å; G70-L106 WeakPolarHBondContact CA-O 3.3Å; I71-L106 HydrophobicContact CD1-CB 4.41Å; I71-L106 HydrophobicContact CD1-CD2 4.47Å; I71-L106 HydrophobicContact CG1-CB 3.73Å; I71-L106 PolarHBondContact N-O 2.75Å; I71-L106 VanDerWaalsContact N-O 3.12Å; I71-L106 PolarHBondContact O-N 2.95Å; T73-L106 HydrophobicContact CG2-CB 4.31Å; T73-L106 HydrophobicContact CG2-CD1 3.66Å; T73-L106 HydrophobicContact CG2-CD2 4Å; T73-L106 HydrophobicContact CG2-CG 4.19Å; L75-L106 HydrophobicContact CD1-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD1 4.32Å; L75-L106 HydrophobicContact CD2-CD2 4.4Å; F104-L106 HydrophobicContact CB-CD1 4.27Å; L106-I116 HydrophobicContact CD1-CB 4.42Å; L106-I116 HydrophobicContact CD1-CG1 3.98Å; L106-I116 HydrophobicContact CD1-CG2 4.04Å; L106-I116 HydrophobicContact CG-CG1 4.43Å; L106-Y157 HydrophobicContact CD2-CE1 4.33Å; L106-Y157 WeakPolarHBondContact CD2-OH 3.39Å |
| 107 | I | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119 | -172.8 | -52.2 | 174 | 0 | 0 | 0 | 108.4 | L68 N105 V109 V114 A115 Y206 P209 | L68-I107 HydrophobicContact CB-CG2 4.35Å; L68-I107 HydrophobicContact CD1-CG2 3.76Å; N105-I107 HydrophobicContact CB-CD1 4.19Å; N105-I107 HydrophobicContact CB-CG1 3.98Å; I107-V109 HydrophobicContact CG2-CG1 4.21Å; I107-V109 PolarHBondContact O-N 2.82Å; I107-V114 CarbonylContact O-C 3.57Å; I107-V114 VanDerWaalsContact O-CA 3.28Å; I107-V114 WeakPolarHBondContact O-CA 3.47Å; I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 2.75Å; I107-A115 PolarHBondContact O-N 3.03Å; I107-Y206 HydrophobicContact CD1-CD1 3.91Å; I107-Y206 HydrophobicContact CD1-CE1 4.39Å; I107-Y206 HydrophobicContact CD1-CG 4.08Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 3.98Å; I107-Y206 HydrophobicContact CG1-CE1 4.28Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.84Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.31Å; I107-P209 HydrophobicContact CD1-CG 4.46Å; I107-P209 HydrophobicContact CG2-CG 4.4Å |
| 108 | P | 97.9 | Very high | 97.5 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 29% | 0.292 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 110.9 | 178.3 | 29.5 | -33.3 | 0 | 0 | 0 | 110.2 | L68 K69 | L68-P108 HydrophobicContact CB-CG 4.39Å; L68-P108 WeakPolarHBondContact CD1-O 3.45Å; K69-P108 VanDerWaalsContact O-CG 3.3Å; K69-P108 WeakPolarHBondContact O-CG 3.48Å |
| 109 | V | 97.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 11.4 | -178.3 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | I107 I113 A115 F139 K144 P209 | I107-V109 HydrophobicContact CG2-CG1 4.21Å; I107-V109 PolarHBondContact O-N 2.82Å; V109-I113 HydrophobicContact CG2-CB 4.38Å; V109-I113 HydrophobicContact CG2-CG2 3.74Å; V109-I113 PolarHBondContact N-O 2.86Å; V109-A115 HydrophobicContact CG1-CB 3.93Å; V109-A115 HydrophobicContact CG2-CB 4.44Å; V109-F139 HydrophobicContact CB-CZ 4.04Å; V109-F139 HydrophobicContact CG1-CE1 4.45Å; V109-F139 HydrophobicContact CG1-CE2 4.36Å; V109-F139 HydrophobicContact CG1-CZ 3.82Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; V109-K144 HydrophobicContact CG2-CG 4.18Å; V109-P209 HydrophobicContact CG1-CG 4.38Å |
| 110 | G | 96.3 | Very high | 97.8 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 38% | 0.381 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | 176.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | R112 I113 | G110-R112 PolarHBondContact O-N 2.97Å; G110-I113 PolarHBondContact N-O 3.2Å; G110-I113 PolarHBondContact O-N 2.97Å; G110-I113 VanDerWaalsContact O-N 3.09Å |
| 111 | L | 96.6 | Very high | 97.9 | Very high | 162 Ų | 162 | 40.3 Ų | 40.3 | 85% | 0.848 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 108.5 | 177.4 | 179.8 | 64.3 | 0 | 0 | 0 | 110.3 | I113 | L111-I113 PolarHBondContact O-N 3.18Š|
| 112 | R | 97.4 | Very high | 97.9 | Very high | 152 Ų | 152 | 39 Ų | 39 | 57% | 0.574 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.1 | -174.9 | -57.1 | -61.7 | -171.3 | 175.8 | 0.9 | 113.4 | G110 K146 E147 | G110-R112 PolarHBondContact O-N 2.97Å; R112-K146 CarbonylContact O-C 3.59Å; R112-K146 VanDerWaalsContact O-CA 3.31Å; R112-K146 WeakPolarHBondContact O-CA 3.38Å; R112-E147 HydrophobicContact CB-CG 4.27Å; R112-E147 IonicContact NH1-OE1 3.55Å; R112-E147 WeakPolarHBondContact O-CG 3.37Å; R112-E147 PolarHBondContact O-N 3.48Å |
| 113 | I | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.4 | 174.9 | -56.5 | 174.2 | 0 | 0 | 0 | 107.7 | V109 G110 L111 K144 F145 I160 | V109-I113 HydrophobicContact CG2-CB 4.38Å; V109-I113 HydrophobicContact CG2-CG2 3.74Å; V109-I113 PolarHBondContact N-O 2.86Å; G110-I113 PolarHBondContact N-O 3.2Å; G110-I113 PolarHBondContact O-N 2.97Å; G110-I113 VanDerWaalsContact O-N 3.09Å; L111-I113 PolarHBondContact O-N 3.18Å; I113-K144 HydrophobicContact CG2-CB 3.82Å; I113-K144 HydrophobicContact CG2-CG 4.35Å; I113-F145 CarbonylContact C-O 3.56Å; I113-F145 WeakPolarHBondContact CA-O 3.41Å; I113-I160 HydrophobicContact CD1-CG2 4.3Å; I113-I160 HydrophobicContact CG1-CG2 4.37Å; I113-I160 HydrophobicContact CG2-CG2 4.27Å |
| 114 | V | 98.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.4 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | I107 I116 F145 E147 Y157 | I107-V114 CarbonylContact O-C 3.57Å; I107-V114 VanDerWaalsContact O-CA 3.28Å; I107-V114 WeakPolarHBondContact O-CA 3.47Å; V114-I116 HydrophobicContact CG2-CG1 4.31Å; V114-F145 HydrophobicContact CG2-CB 4.47Å; V114-F145 PolarHBondContact N-O 3.26Å; V114-F145 PolarHBondContact O-N 2.69Å; V114-E147 HydrophobicContact CG1-CG 4.08Å; V114-E147 HydrophobicContact CG2-CB 4.4Å; V114-Y157 HydrophobicContact CG2-CD1 3.86Å; V114-Y157 HydrophobicContact CG2-CE1 3.83Å |
| 115 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I107 V109 Y124 F139 | I107-A115 HydrophobicContact CB-CB 4.38Å; I107-A115 PolarHBondContact N-O 2.75Å; I107-A115 PolarHBondContact O-N 3.03Å; V109-A115 HydrophobicContact CG1-CB 3.93Å; V109-A115 HydrophobicContact CG2-CB 4.44Å; A115-Y124 HydrophobicContact CB-CD1 4.22Å; A115-Y124 HydrophobicContact CB-CE1 4.2Å; A115-F139 HydrophobicContact CB-CD2 4.14Å; A115-F139 HydrophobicContact CB-CE2 3.57Å; A115-F139 HydrophobicContact CB-CZ 4.38Å |
| 116 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.3 | 177.7 | -55.5 | 173.4 | 0 | 0 | 0 | 106.6 | L75 F104 N105 L106 V114 Y124 V125 F145 Y157 I173 | L75-I116 HydrophobicContact CD1-CD1 4.26Å; L75-I116 HydrophobicContact CD1-CG2 4.17Å; F104-I116 HydrophobicContact CB-CG2 4.02Å; F104-I116 HydrophobicContact CD1-CG2 3.73Å; F104-I116 HydrophobicContact CG-CG2 4.02Å; N105-I116 WeakPolarHBondContact O-CA 3.36Å; L106-I116 HydrophobicContact CD1-CB 4.42Å; L106-I116 HydrophobicContact CD1-CG1 3.98Å; L106-I116 HydrophobicContact CD1-CG2 4.04Å; L106-I116 HydrophobicContact CG-CG1 4.43Å; V114-I116 HydrophobicContact CG2-CG1 4.31Å; I116-Y124 WeakPolarHBondContact O-CA 3.28Å; I116-V125 HydrophobicContact CB-CB 4.2Å; I116-V125 HydrophobicContact CB-CG2 4.12Å; I116-V125 HydrophobicContact CG2-CB 4.45Å; I116-V125 HydrophobicContact CG2-CG2 3.83Å; I116-V125 PolarHBondContact O-N 2.88Å; I116-F145 HydrophobicContact CD1-CD2 4.23Å; I116-F145 HydrophobicContact CG1-CD2 4.45Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CG 4.25Å; I116-I173 HydrophobicContact CD1-CD1 3.86Å |
| 117 | Q | 98.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.3 | -177.4 | -171.6 | -166.1 | 32.3 | 0 | 0 | 109.9 | F104 N105 G122 L123 Y124 | F104-Q117 CarbonylContact C-O 3.53Å; F104-Q117 WeakPolarHBondContact CA-O 3.41Å; N105-Q117 HydrophobicContact CB-CB 4.24Å; N105-Q117 PolarHBondContact N-O 3.5Å; N105-Q117 PolarHBondContact ND2-OE1 3.21Å; N105-Q117 PolarHBondContact O-N 3.12Å; Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.49Å; Q117-L123 CarbonylContact C-O 3.55Å; Q117-L123 WeakPolarHBondContact CA-O 3.32Å; Q117-L123 WeakPolarHBondContact CG-O 3.46Å; Q117-Y124 HydrophobicContact CB-CD1 3.77Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.48Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.96Å; Q117-Y124 HydrophobicContact CG-CG 4.38Å |
| 118 | S | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.9 | 172.5 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | M85 K120 T121 G122 L123 | M85-S118 WeakPolarHBondContact SD-CB 3.28Å; S118-K120 PolarHBondContact O-N 2.93Å; S118-K120 PolarHBondContact OG-N 2.9Å; S118-T121 WeakPolarHBondContact CB-OG1 3.43Å; S118-T121 PolarHBondContact OG-N 2.85Å; S118-T121 PolarHBondContact OG-OG1 3.17Å; S118-G122 WeakPolarHBondContact O-CA 3.32Å; S118-G122 PolarHBondContact O-N 3.31Å; S118-L123 PolarHBondContact N-O 3.1Å |
| 119 | T | 97.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.3 | 175.7 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | V72 Q103 N105 | V72-T119 HydrophobicContact CG1-CG2 4.04Å; Q103-T119 HydrophobicContact CB-CG2 3.95Å; Q103-T119 WeakPolarHBondContact CB-OG1 3.5Å; Q103-T119 PolarHBondContact O-N 2.98Å; Q103-T119 PolarHBondContact O-OG1 3.24Å; N105-T119 WeakPolarHBondContact OD1-CG2 3.3Å |
| 120 | K | 97.1 | Very high | 98 | Very high | 107 Ų | 107 | 44.4 Ų | 44.4 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -44.8 | -175.7 | -63.6 | -55.3 | -173.9 | -179.5 | 0 | 113 | S100 F101 S118 | S100-K120 WeakPolarHBondContact O-CE 3.31Å; S100-K120 VanDerWaalsContact O-CG 3.22Å; S100-K120 WeakPolarHBondContact O-CG 3.13Å; F101-K120 HydrophobicContact CD1-CB 4.01Å; F101-K120 HydrophobicContact CD1-CG 4.09Å; F101-K120 HydrophobicContact CE1-CB 4.27Å; F101-K120 HydrophobicContact CE1-CG 4.49Å; S118-K120 PolarHBondContact O-N 2.93Å; S118-K120 PolarHBondContact OG-N 2.9Å |
| 121 | T | 96.9 | Very high | 98 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -18.6 | -176.1 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | M85 S118 L123 | M85-T121 PolarHBondContact SD-OG1 3.43Å; M85-T121 VanDerWaalsContact SD-OG1 3.35Å; S118-T121 WeakPolarHBondContact CB-OG1 3.43Å; S118-T121 PolarHBondContact OG-N 2.85Å; S118-T121 PolarHBondContact OG-OG1 3.17Å; T121-L123 PolarHBondContact O-N 3.04Å; T121-L123 PolarHBondContact OG1-N 2.75Å |
| 122 | G | 97.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | trans | 72.1 | 0.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | Q117 S118 | Q117-G122 WeakPolarHBondContact CG-O 3.47Å; Q117-G122 PolarHBondContact NE2-O 3.49Å; S118-G122 WeakPolarHBondContact O-CA 3.32Å; S118-G122 PolarHBondContact O-N 3.31Å | ||
| 123 | L | 98.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 142.8 | 179.1 | -58.5 | 174.4 | 0 | 0 | 0 | 111.1 | M85 Q117 S118 T121 T135 E137 | M85-L123 HydrophobicContact SD-CB 3.76Å; M85-L123 HydrophobicContact SD-CD1 4.44Å; Q117-L123 CarbonylContact C-O 3.55Å; Q117-L123 WeakPolarHBondContact CA-O 3.32Å; Q117-L123 WeakPolarHBondContact CG-O 3.46Å; S118-L123 PolarHBondContact N-O 3.1Å; T121-L123 PolarHBondContact O-N 3.04Å; T121-L123 PolarHBondContact OG1-N 2.75Å; L123-T135 HydrophobicContact CD1-CG2 4.45Å; L123-E137 HydrophobicContact CD2-CB 4.23Å; L123-E137 HydrophobicContact CD2-CG 3.46Å; L123-E137 VanDerWaalsContact CD2-CG 3.46Å |
| 124 | Y | 98.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142 | 171.9 | -66.2 | -83.7 | 0 | 0 | 0 | 110.9 | A115 I116 Q117 T135 S136 F139 | A115-Y124 HydrophobicContact CB-CD1 4.22Å; A115-Y124 HydrophobicContact CB-CE1 4.2Å; I116-Y124 WeakPolarHBondContact O-CA 3.28Å; Q117-Y124 HydrophobicContact CB-CD1 3.77Å; Q117-Y124 HydrophobicContact CB-CE1 3.78Å; Q117-Y124 HydrophobicContact CB-CG 4.48Å; Q117-Y124 HydrophobicContact CG-CD1 4.05Å; Q117-Y124 HydrophobicContact CG-CE1 3.96Å; Q117-Y124 HydrophobicContact CG-CG 4.38Å; Y124-T135 CarbonylContact O-C 3.5Å; Y124-T135 VanDerWaalsContact O-CA 3.3Å; Y124-T135 WeakPolarHBondContact O-CA 3.35Å; Y124-S136 PolarHBondContact N-O 3.37Å; Y124-S136 PolarHBondContact O-N 3.42Å; Y124-F139 HydrophobicContact CD1-CD2 4.16Å; Y124-F139 HydrophobicContact CD2-CB 4.36Å; Y124-F139 HydrophobicContact CE1-CB 4.48Å; Y124-F139 HydrophobicContact CE1-CD2 4.09Å; Y124-F139 HydrophobicContact CE2-CB 3.97Å |
| 125 | V | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134 | 161.8 | -178 | 0 | 0 | 0 | 0 | 107.6 | M85 M91 F104 I116 L133 C143 F145 I173 | M85-V125 HydrophobicContact CE-CG2 3.66Å; M91-V125 HydrophobicContact CE-CG1 4.46Å; M91-V125 HydrophobicContact SD-CB 4.34Å; M91-V125 HydrophobicContact SD-CG1 3.91Å; M91-V125 HydrophobicContact SD-CG2 3.91Å; F104-V125 HydrophobicContact CE1-CG2 4.45Å; I116-V125 HydrophobicContact CB-CB 4.2Å; I116-V125 HydrophobicContact CB-CG2 4.12Å; I116-V125 HydrophobicContact CG2-CB 4.45Å; I116-V125 HydrophobicContact CG2-CG2 3.83Å; I116-V125 PolarHBondContact O-N 2.88Å; V125-L133 HydrophobicContact CG1-CD2 4.24Å; V125-C143 WeakPolarHBondContact O-CA 3.4Å; V125-F145 HydrophobicContact CB-CE2 4.25Å; V125-F145 HydrophobicContact CG1-CE2 4.05Å; V125-F145 HydrophobicContact CG1-CZ 4.05Å; V125-F145 VanDerWaalsContact O-CE2 3.31Å; V125-F145 WeakPolarHBondContact O-CE2 3.4Å; V125-I173 HydrophobicContact CG1-CD1 4.15Å |
| 126 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L133 Y134 E142 | A126-L133 WeakPolarHBondContact O-CA 3.5Å; A126-L133 WeakPolarHBondContact O-CD2 3.47Å; A126-Y134 HydrophobicContact CB-CD1 3.99Å; A126-Y134 HydrophobicContact CB-CD2 4.26Å; A126-Y134 HydrophobicContact CB-CE1 3.46Å; A126-Y134 VanDerWaalsContact CB-CE1 3.46Å; A126-Y134 HydrophobicContact CB-CE2 3.75Å; A126-Y134 HydrophobicContact CB-CG 4.36Å; A126-Y134 PolarHBondContact N-O 3.22Å; A126-Y134 PolarHBondContact O-N 2.85Å; A126-E142 WeakPolarHBondContact CA-O 3.23Å; A126-E142 HydrophobicContact CB-CB 4.27Å |
| 127 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.3 | 175.7 | -173.7 | 179.2 | -67.5 | 0 | 0 | 109.9 | Y132 L133 E142 F145 Y162 W171 I173 | M127-Y132 WeakPolarHBondContact CA-O 2.98Å; M127-L133 HydrophobicContact CB-CD2 3.78Å; M127-L133 HydrophobicContact CE-CD2 3.58Å; M127-L133 HydrophobicContact CE-CG 4.14Å; M127-L133 HydrophobicContact CG-CD2 4.17Å; M127-E142 PolarHBondContact N-O 3.11Å; M127-E142 VanDerWaalsContact N-O 3.1Å; M127-E142 WeakPolarHBondContact O-CB 3.25Å; M127-F145 HydrophobicContact CB-CE1 4.01Å; M127-F145 HydrophobicContact CB-CZ 4.25Å; M127-F145 HydrophobicContact CE-CE1 4.38Å; M127-Y162 WeakPolarHBondContact O-CD2 3.46Å; M127-Y162 WeakPolarHBondContact O-CE2 3.29Å; M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.21Å; M127-I173 HydrophobicContact CE-CG1 4.49Å |
| 128 | N | 98.2 | Very high | 98 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | trans | -83.5 | 173 | -179.3 | 74 | 10.6 | 0 | 0 | 0 | 113.4 | E130 G131 Y132 Y134 E142 Y162 | N128-E130 PolarHBondContact O-N 3.16Å; N128-E130 VanDerWaalsContact O-N 3.17Å; N128-E130 PolarHBondContact OD1-N 2.79Å; N128-E130 VanDerWaalsContact OD1-N 3.15Å; N128-G131 WeakPolarHBondContact O-CA 3.33Å; N128-G131 PolarHBondContact O-N 3.38Å; N128-G131 PolarHBondContact OD1-N 2.72Å; N128-Y132 PolarHBondContact N-O 3.05Å; N128-Y132 PolarHBondContact OD1-N 3.16Å; N128-Y132 PolarHBondContact OD1-O 2.89Å; N128-Y134 HydrophobicContact CB-CD1 4.04Å; N128-Y134 HydrophobicContact CB-CE1 3.82Å; N128-E142 WeakPolarHBondContact CA-OE1 3.32Å; N128-Y162 VanDerWaalsContact O-CD2 3.24Å; N128-Y162 WeakPolarHBondContact O-CD2 3.43Å; N128-Y162 WeakPolarHBondContact O-CE2 3.37Å | ||
| 129 | S | 97.9 | Very high | 98 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.4 | -179.8 | 63.7 | 0 | 0 | 0 | 0 | 115.1 | Y162 W171 | S129-Y162 VanDerWaalsContact CA-CZ 3.48Å; S129-Y162 VanDerWaalsContact N-CE2 3.34Å; S129-W171 VanDerWaalsContact O-CH2 3.23Å; S129-W171 WeakPolarHBondContact O-CH2 3.39Å; S129-W171 VanDerWaalsContact O-CZ3 3.25Å; S129-W171 WeakPolarHBondContact O-CZ3 3.36Å |
| 130 | E | 97.8 | Very high | 98 | Very high | 109 Ų | 109 | 47 Ų | 47 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -20.2 | 174 | -59.9 | -174 | 173.5 | 0 | 0 | 111.9 | N128 Y132 W171 K183 | N128-E130 PolarHBondContact O-N 3.16Å; N128-E130 VanDerWaalsContact O-N 3.17Å; N128-E130 PolarHBondContact OD1-N 2.79Å; N128-E130 VanDerWaalsContact OD1-N 3.15Å; E130-Y132 HydrophobicContact CB-CD2 3.77Å; E130-Y132 HydrophobicContact CB-CE2 4.07Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.23Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.17Å; E130-W171 VanDerWaalsContact C-CZ3 3.5Å; E130-K183 WeakPolarHBondContact O-CE 3.4Å; E130-K183 PolarHBondContact O-NZ 2.89Å |
| 131 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 99.4 | 9.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N128 W171 K183 G184 | N128-G131 WeakPolarHBondContact O-CA 3.33Å; N128-G131 PolarHBondContact O-N 3.38Å; N128-G131 PolarHBondContact OD1-N 2.72Å; G131-W171 VanDerWaalsContact CA-CE3 3.44Å; G131-W171 VanDerWaalsContact N-CZ3 3.26Å; G131-K183 CarbonylContact O-C 3.46Å; G131-K183 WeakPolarHBondContact O-CA 3.41Å; G131-K183 VanDerWaalsContact O-CG 3.29Å; G131-K183 WeakPolarHBondContact O-CG 3.49Å; G131-G184 PolarHBondContact O-N 3.2Å |
| 132 | Y | 98.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 41.9 Ų | 41.9 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | trans | -75.6 | 137.4 | 172.1 | -66.9 | -71.1 | 0 | 0 | 0 | 110 | M127 N128 E130 K183 | M127-Y132 WeakPolarHBondContact CA-O 2.98Å; N128-Y132 PolarHBondContact N-O 3.05Å; N128-Y132 PolarHBondContact OD1-N 3.16Å; N128-Y132 PolarHBondContact OD1-O 2.89Å; E130-Y132 HydrophobicContact CB-CD2 3.77Å; E130-Y132 HydrophobicContact CB-CE2 4.07Å; E130-Y132 WeakPolarHBondContact OE2-CD2 3.23Å; E130-Y132 WeakPolarHBondContact OE2-CE2 3.17Å; Y132-K183 HydrophobicContact CD1-CD 4.36Å; Y132-K183 HydrophobicContact CD1-CG 4.11Å; Y132-K183 HydrophobicContact CE1-CD 3.99Å; Y132-K183 HydrophobicContact CE1-CG 4.18Å; Y132-K183 HydrophobicContact CE2-CD 4.47Å | ||
| 133 | L | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 135.9 | 167.7 | -72.5 | 175.7 | 0 | 0 | 0 | 108.8 | M91 V125 A126 M127 F145 I173 V181 | M91-L133 HydrophobicContact CE-CB 3.63Å; V125-L133 HydrophobicContact CG1-CD2 4.24Å; A126-L133 WeakPolarHBondContact O-CA 3.5Å; A126-L133 WeakPolarHBondContact O-CD2 3.47Å; M127-L133 HydrophobicContact CB-CD2 3.78Å; M127-L133 HydrophobicContact CE-CD2 3.58Å; M127-L133 HydrophobicContact CE-CG 4.14Å; M127-L133 HydrophobicContact CG-CD2 4.17Å; L133-F145 HydrophobicContact CD2-CE1 4.42Å; L133-F145 HydrophobicContact CD2-CZ 4.31Å; L133-I173 HydrophobicContact CD1-CB 4.26Å; L133-I173 HydrophobicContact CD1-CG1 4.19Å; L133-I173 HydrophobicContact CD1-CG2 3.91Å; L133-I173 HydrophobicContact CD2-CG1 4.07Å; L133-V181 HydrophobicContact CB-CG1 3.96Å; L133-V181 HydrophobicContact CD1-CG1 3.5Å; L133-V181 VanDerWaalsContact CD1-CG1 3.5Å; L133-V181 HydrophobicContact CG-CG1 4.25Å |
| 134 | Y | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 171.2 | 178.6 | 74.6 | -84.1 | 0 | 0 | 0 | 109.8 | M91 A126 N128 E142 | M91-Y134 VanDerWaalsContact CE-C 3.48Å; M91-Y134 WeakPolarHBondContact CE-O 3.24Å; A126-Y134 HydrophobicContact CB-CD1 3.99Å; A126-Y134 HydrophobicContact CB-CD2 4.26Å; A126-Y134 HydrophobicContact CB-CE1 3.46Å; A126-Y134 VanDerWaalsContact CB-CE1 3.46Å; A126-Y134 HydrophobicContact CB-CE2 3.75Å; A126-Y134 HydrophobicContact CB-CG 4.36Å; A126-Y134 PolarHBondContact N-O 3.22Å; A126-Y134 PolarHBondContact O-N 2.85Å; N128-Y134 HydrophobicContact CB-CD1 4.04Å; N128-Y134 HydrophobicContact CB-CE1 3.82Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.27Å; Y134-E142 PolarHBondContact OH-OE2 3.27Å |
| 135 | T | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 40 Ų | 40 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 135.2 | 177.7 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | M85 G89 M91 L123 Y124 | M85-T135 HydrophobicContact CE-CG2 3.53Å; M85-T135 HydrophobicContact CG-CG2 4.17Å; M85-T135 HydrophobicContact SD-CG2 3.76Å; G89-T135 WeakPolarHBondContact O-CG2 3.44Å; M91-T135 HydrophobicContact CE-CG2 4.22Å; M91-T135 HydrophobicContact CG-CG2 3.98Å; M91-T135 HydrophobicContact SD-CG2 4.1Å; L123-T135 HydrophobicContact CD1-CG2 4.45Å; Y124-T135 CarbonylContact O-C 3.5Å; Y124-T135 VanDerWaalsContact O-CA 3.3Å; Y124-T135 WeakPolarHBondContact O-CA 3.35Å |
| 136 | S | 98.1 | Very high | 98.2 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.7 | -179.8 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | Y124 H138 | Y124-S136 PolarHBondContact N-O 3.37Å; Y124-S136 PolarHBondContact O-N 3.42Å; S136-H138 WeakPolarHBondContact CB-O 3.29Å; S136-H138 PolarHBondContact OG-N 3.17Å; S136-H138 PolarHBondContact OG-O 3.15Å |
| 137 | E | 96.9 | Very high | 98.2 | Very high | 149 Ų | 149 | 46.4 Ų | 46.4 | 70% | 0.696 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -68.9 | -39 | 170.9 | -70 | -179.6 | -175.5 | 0 | 0 | 111.4 | L123 | L123-E137 HydrophobicContact CD2-CB 4.23Å; L123-E137 HydrophobicContact CD2-CG 3.46Å; L123-E137 VanDerWaalsContact CD2-CG 3.46Å |
| 138 | H | 97.1 | Very high | 98.1 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 46% | 0.463 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -95.3 | 145.5 | -178.9 | -62.2 | -58.2 | 0 | 0 | 0 | 111.7 | S136 T140 H212 | S136-H138 WeakPolarHBondContact CB-O 3.29Å; S136-H138 PolarHBondContact OG-N 3.17Å; S136-H138 PolarHBondContact OG-O 3.15Å; H138-T140 HydrophobicContact CB-CG2 4.46Å; H138-T140 PolarHBondContact O-N 3.16Å; H138-H212 HydrophobicContact CB-CB 4.02Å; H138-H212 AromaticContact ND1-CD2 3.95Å; H138-H212 AromaticContact ND1-CE1 3.98Å; H138-H212 AromaticContact ND1-NE2 3.75Å |
| 139 | F | 97.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 107.6 | 172.8 | 178.4 | -115.3 | 0 | 0 | 0 | 109.8 | V109 A115 Y124 C143 K144 P209 L211 H212 | V109-F139 HydrophobicContact CB-CZ 4.04Å; V109-F139 HydrophobicContact CG1-CE1 4.45Å; V109-F139 HydrophobicContact CG1-CE2 4.36Å; V109-F139 HydrophobicContact CG1-CZ 3.82Å; V109-F139 HydrophobicContact CG2-CZ 4.02Å; A115-F139 HydrophobicContact CB-CD2 4.14Å; A115-F139 HydrophobicContact CB-CE2 3.57Å; A115-F139 HydrophobicContact CB-CZ 4.38Å; Y124-F139 HydrophobicContact CD1-CD2 4.16Å; Y124-F139 HydrophobicContact CD2-CB 4.36Å; Y124-F139 HydrophobicContact CE1-CB 4.48Å; Y124-F139 HydrophobicContact CE1-CD2 4.09Å; Y124-F139 HydrophobicContact CE2-CB 3.97Å; F139-C143 HydrophobicContact CD2-CB 3.64Å; F139-C143 HydrophobicContact CE2-CB 3.81Å; F139-K144 HydrophobicContact CE2-CG 4.04Å; F139-K144 HydrophobicContact CZ-CD 4.24Å; F139-K144 VanDerWaalsContact CZ-CE 3.45Å; F139-K144 HydrophobicContact CZ-CG 3.73Å; F139-P209 HydrophobicContact CB-CB 3.77Å; F139-P209 HydrophobicContact CD1-CB 3.54Å; F139-P209 HydrophobicContact CD2-CB 4.27Å; F139-P209 HydrophobicContact CE1-CB 4.13Å; F139-P209 HydrophobicContact CG-CB 3.59Å; F139-L211 HydrophobicContact CD1-CB 4.5Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.83Å; F139-L211 CarbonylContact O-C 3.58Å; F139-L211 WeakPolarHBondContact O-CA 3.24Å; F139-H212 PolarHBondContact O-N 2.93Å |
| 140 | T | 98.1 | Very high | 98 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | trans | -112 | 168.5 | -180 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | H138 E142 C143 H212 | H138-T140 HydrophobicContact CB-CG2 4.46Å; H138-T140 PolarHBondContact O-N 3.16Å; T140-E142 PolarHBondContact O-N 2.72Å; T140-E142 VanDerWaalsContact O-N 3.17Å; T140-E142 PolarHBondContact OG1-N 2.94Å; T140-C143 PolarHBondContact N-SG 2.71Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 VanDerWaalsContact O-CB 3.28Å; T140-C143 WeakPolarHBondContact O-CB 2.84Å; T140-C143 PolarHBondContact O-N 2.89Å; T140-C143 PolarHBondContact OG1-SG 2.83Å; T140-C143 VanDerWaalsContact OG1-SG 3.34Å; T140-H212 WeakPolarHBondContact CA-O 3.41Å; T140-H212 HydrophobicContact CG2-CB 4.44Å | ||
| 141 | P | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -53.8 | -29.3 | 169.7 | -30 | 37.5 | 0 | 0 | 0 | 114.4 | C143 K144 L161 L211 H212 | P141-C143 PolarHBondContact O-N 2.88Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 2.9Å; P141-L161 HydrophobicContact CB-CD1 3.86Å; P141-L161 HydrophobicContact CB-CD2 4.38Å; P141-L211 HydrophobicContact CG-CD1 4.12Å; P141-H212 VanDerWaalsContact CD-O 3.29Å; P141-H212 WeakPolarHBondContact CD-O 3.22Å |
| 142 | E | 98.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -70.9 | -16 | 176.7 | -67.6 | -169.3 | 153.5 | 0 | 0 | 113.5 | A126 M127 N128 Y134 T140 K144 L161 Y162 V214 | A126-E142 WeakPolarHBondContact CA-O 3.23Å; A126-E142 HydrophobicContact CB-CB 4.27Å; M127-E142 PolarHBondContact N-O 3.11Å; M127-E142 VanDerWaalsContact N-O 3.1Å; M127-E142 WeakPolarHBondContact O-CB 3.25Å; N128-E142 WeakPolarHBondContact CA-OE1 3.32Å; Y134-E142 WeakPolarHBondContact CE1-OE2 3.27Å; Y134-E142 PolarHBondContact OH-OE2 3.27Å; T140-E142 PolarHBondContact O-N 2.72Å; T140-E142 VanDerWaalsContact O-N 3.17Å; T140-E142 PolarHBondContact OG1-N 2.94Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-L161 HydrophobicContact CG-CD1 3.87Å; E142-Y162 HydrophobicContact CG-CE2 3.96Å; E142-Y162 PolarHBondContact OE1-OH 3.42Å; E142-V214 HydrophobicContact CG-CG2 4.01Å |
| 143 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -82.9 | -3.6 | 176 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | V125 F139 T140 P141 F145 | V125-C143 WeakPolarHBondContact O-CA 3.4Å; F139-C143 HydrophobicContact CD2-CB 3.64Å; F139-C143 HydrophobicContact CE2-CB 3.81Å; T140-C143 PolarHBondContact N-SG 2.71Å; T140-C143 VanDerWaalsContact N-SG 3.42Å; T140-C143 VanDerWaalsContact O-CB 3.28Å; T140-C143 WeakPolarHBondContact O-CB 2.84Å; T140-C143 PolarHBondContact O-N 2.89Å; T140-C143 PolarHBondContact OG1-SG 2.83Å; T140-C143 VanDerWaalsContact OG1-SG 3.34Å; P141-C143 PolarHBondContact O-N 2.88Å; C143-F145 WeakPolarHBondContact O-CD2 3.36Å |
| 144 | K | 98.7 | Very high | 97 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.1 | -175.6 | -66 | -179.5 | 179.8 | 179.3 | 0 | 110.5 | V109 I113 F139 P141 E142 I160 | V109-K144 HydrophobicContact CG2-CG 4.18Å; I113-K144 HydrophobicContact CG2-CB 3.82Å; I113-K144 HydrophobicContact CG2-CG 4.35Å; F139-K144 HydrophobicContact CE2-CG 4.04Å; F139-K144 HydrophobicContact CZ-CD 4.24Å; F139-K144 VanDerWaalsContact CZ-CE 3.45Å; F139-K144 HydrophobicContact CZ-CG 3.73Å; P141-K144 WeakPolarHBondContact O-CB 3.48Å; P141-K144 PolarHBondContact O-N 2.9Å; E142-K144 VanDerWaalsContact C-N 3.28Å; K144-I160 HydrophobicContact CB-CD1 3.45Å; K144-I160 VanDerWaalsContact CB-CD1 3.45Å; K144-I160 HydrophobicContact CB-CG1 3.82Å; K144-I160 HydrophobicContact CB-CG2 4.46Å; K144-I160 HydrophobicContact CD-CD1 3.69Å; K144-I160 HydrophobicContact CG-CD1 4.19Å; K144-I160 PolarHBondContact O-N 2.93Å |
| 145 | F | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.9 | 176.9 | -61 | -80.8 | 0 | 0 | 0 | 111.3 | I113 V114 I116 V125 M127 L133 C143 E147 S158 I173 | I113-F145 CarbonylContact C-O 3.56Å; I113-F145 WeakPolarHBondContact CA-O 3.41Å; V114-F145 HydrophobicContact CG2-CB 4.47Å; V114-F145 PolarHBondContact N-O 3.26Å; V114-F145 PolarHBondContact O-N 2.69Å; I116-F145 HydrophobicContact CD1-CD2 4.23Å; I116-F145 HydrophobicContact CG1-CD2 4.45Å; V125-F145 HydrophobicContact CB-CE2 4.25Å; V125-F145 HydrophobicContact CG1-CE2 4.05Å; V125-F145 HydrophobicContact CG1-CZ 4.05Å; V125-F145 VanDerWaalsContact O-CE2 3.31Å; V125-F145 WeakPolarHBondContact O-CE2 3.4Å; M127-F145 HydrophobicContact CB-CE1 4.01Å; M127-F145 HydrophobicContact CB-CZ 4.25Å; M127-F145 HydrophobicContact CE-CE1 4.38Å; L133-F145 HydrophobicContact CD2-CE1 4.42Å; L133-F145 HydrophobicContact CD2-CZ 4.31Å; C143-F145 WeakPolarHBondContact O-CD2 3.36Å; F145-E147 PolarHBondContact O-N 2.89Å; F145-S158 CarbonylContact C-O 3.59Å; F145-S158 VanDerWaalsContact CA-O 3.32Å; F145-S158 WeakPolarHBondContact CA-O 3.49Å; F145-I173 HydrophobicContact CD1-CD1 3.79Å; F145-I173 HydrophobicContact CD1-CG1 3.97Å; F145-I173 HydrophobicContact CD2-CD1 4.13Å; F145-I173 HydrophobicContact CE1-CD1 3.73Å; F145-I173 HydrophobicContact CE1-CG1 3.77Å; F145-I173 HydrophobicContact CE2-CD1 4.06Å; F145-I173 HydrophobicContact CG-CD1 3.99Å; F145-I173 HydrophobicContact CZ-CD1 3.87Å; F145-I173 HydrophobicContact CZ-CG1 4.28Å |
| 146 | K | 98.7 | Very high | 97 | Very high | 90 Ų | 90 | 54.5 Ų | 54.5 | 39% | 0.391 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 117.7 | 167.5 | -177.4 | 176.2 | -175.6 | 172.1 | 0 | 109 | R112 Y157 S158 I160 | R112-K146 CarbonylContact O-C 3.59Å; R112-K146 VanDerWaalsContact O-CA 3.31Å; R112-K146 WeakPolarHBondContact O-CA 3.38Å; K146-Y157 WeakPolarHBondContact O-CA 3.45Å; K146-S158 PolarHBondContact N-O 2.69Å; K146-S158 PolarHBondContact O-N 2.86Å; K146-I160 HydrophobicContact CB-CG2 4.06Å |
| 147 | E | 98 | Very high | 97.1 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.7 | 170.2 | 55.2 | 163.1 | -148.8 | 0 | 0 | 110.8 | R112 V114 F145 V155 T156 Y157 | R112-E147 HydrophobicContact CB-CG 4.27Å; R112-E147 IonicContact NH1-OE1 3.55Å; R112-E147 WeakPolarHBondContact O-CG 3.37Å; R112-E147 PolarHBondContact O-N 3.48Å; V114-E147 HydrophobicContact CG1-CG 4.08Å; V114-E147 HydrophobicContact CG2-CB 4.4Å; F145-E147 PolarHBondContact O-N 2.89Å; E147-V155 HydrophobicContact CB-CG1 4.09Å; E147-T156 CarbonylContact C-O 3.52Å; E147-T156 WeakPolarHBondContact CA-O 3.18Å; E147-Y157 HydrophobicContact CB-CD1 3.93Å; E147-Y157 HydrophobicContact CB-CE1 3.78Å |
| 148 | C | 97.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 47 Ų | 47 | 25% | 0.25 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.7 | 176.3 | -76 | 0 | 0 | 0 | 0 | 110.4 | T156 | C148-T156 PolarHBondContact N-O 3.43Å; C148-T156 PolarHBondContact O-N 2.72Å; C148-T156 PolarHBondContact O-OG1 2.81Å |
| 149 | V | 97.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 42.3 Ų | 42.3 | 52% | 0.515 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.2 | 168.9 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | Y154 | V149-Y154 CarbonylContact C-O 3.5Å; V149-Y154 WeakPolarHBondContact CA-O 3.39Å |
| 150 | F | 95.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 10% | 0.101 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.8 | 176.4 | -175.4 | -104.1 | 0 | 0 | 0 | 109.9 | N152 Y153 Y154 T156 K189 T190 H195 | F150-N152 PolarHBondContact O-N 2.59Å; F150-Y153 PolarHBondContact O-N 2.96Å; F150-Y153 VanDerWaalsContact O-N 3.14Å; F150-Y154 PolarHBondContact N-O 2.76Å; F150-Y154 PolarHBondContact O-N 2.88Å; F150-Y154 VanDerWaalsContact O-N 3.07Å; F150-T156 HydrophobicContact CB-CG2 3.93Å; F150-K189 HydrophobicContact CD2-CD 4.34Å; F150-K189 HydrophobicContact CD2-CG 4.06Å; F150-K189 HydrophobicContact CE2-CG 4.28Å; F150-T190 HydrophobicContact CE2-CG2 4.32Å; F150-T190 HydrophobicContact CZ-CG2 4.17Å; F150-H195 AromaticContact CD1-CE1 3.38Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.39Å; F150-H195 AromaticContact CD1-NE2 3.43Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.39Å; F150-H195 AromaticContact CE1-CE1 3.27Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.5Å; F150-H195 AromaticContact CE1-NE2 3.4Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.31Å |
| 151 | E | 92.8 | Very high | 97.2 | Very high | 134 Ų | 134 | 47.9 Ų | 47.9 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 31.3 | -178.6 | -67 | 174.4 | 174.9 | 0 | 0 | 113.5 | Y153 | E151-Y153 PolarHBondContact O-N 2.77Š|
| 152 | N | 88.4 | Confident | 97.2 | Very high | 158 Ų | 158 | 48.8 Ų | 48.8 | 85% | 0.845 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 12 | -178.6 | -58.8 | -31.3 | 0 | 0 | 0 | 116.3 | F150 | F150-N152 PolarHBondContact O-N 2.59Š|
| 153 | Y | 91.9 | Very high | 97.2 | Very high | 139 Ų | 139 | 53.2 Ų | 53.2 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | -40.4 | -175.4 | -174.6 | -94.3 | 0 | 0 | 0 | 113.4 | F150 E151 | F150-Y153 PolarHBondContact O-N 2.96Å; F150-Y153 VanDerWaalsContact O-N 3.14Å; E151-Y153 PolarHBondContact O-N 2.77Å |
| 154 | Y | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 56.4 Ų | 56.4 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 155.7 | -177.2 | -62.4 | -71.7 | 0 | 0 | 0 | 111.7 | R78 V149 F150 H195 | R78-Y154 HydrophobicContact CB-CD1 4.49Å; R78-Y154 HydrophobicContact CB-CE1 3.86Å; R78-Y154 VanDerWaalsContact CD-CZ 3.49Å; R78-Y154 WeakPolarHBondContact CD-OH 3.5Å; R78-Y154 HydrophobicContact CG-CE1 4Å; R78-Y154 WeakPolarHBondContact CG-OH 3.2Å; R78-Y154 PolarHBondContact NE-OH 3Å; V149-Y154 CarbonylContact C-O 3.5Å; V149-Y154 WeakPolarHBondContact CA-O 3.39Å; F150-Y154 PolarHBondContact N-O 2.76Å; F150-Y154 PolarHBondContact O-N 2.88Å; F150-Y154 VanDerWaalsContact O-N 3.07Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.05Å; Y154-H195 AromaticContact CD2-CG 3.92Å; Y154-H195 AromaticContact CD2-ND1 3.31Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.31Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.42Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.68Å; Y154-H195 HydrophobicContact CG-CB 3.58Å; Y154-H195 AromaticContact CG-CG 3.89Å; Y154-H195 AromaticContact CG-ND1 3.78Å |
| 155 | V | 98.6 | Very high | 96.9 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.4 | 167.6 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | E147 Y157 F196 P198 | E147-V155 HydrophobicContact CB-CG1 4.09Å; V155-Y157 HydrophobicContact CB-CE2 4.41Å; V155-Y157 HydrophobicContact CG1-CD1 4.5Å; V155-Y157 HydrophobicContact CG1-CE1 3.85Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; V155-F196 PolarHBondContact N-O 2.96Å; V155-F196 PolarHBondContact O-N 3.46Å; V155-P198 HydrophobicContact CB-CG 4.33Å; V155-P198 HydrophobicContact CG2-CG 4Å |
| 156 | T | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 140.1 | 174.2 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | E147 C148 F150 K189 A194 | E147-T156 CarbonylContact C-O 3.52Å; E147-T156 WeakPolarHBondContact CA-O 3.18Å; C148-T156 PolarHBondContact N-O 3.43Å; C148-T156 PolarHBondContact O-N 2.72Å; C148-T156 PolarHBondContact O-OG1 2.81Å; F150-T156 HydrophobicContact CB-CG2 3.93Å; T156-K189 HydrophobicContact CG2-CG 4.39Å; T156-A194 HydrophobicContact CG2-CB 4.39Å; T156-A194 WeakPolarHBondContact CG2-O 3.4Å |
| 157 | Y | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.5 | 178.1 | -59.6 | -77.8 | 0 | 0 | 0 | 109.2 | L75 L106 V114 I116 K146 E147 V155 Y172 I173 F196 P198 | L75-Y157 HydrophobicContact CD2-CE2 4.1Å; L106-Y157 HydrophobicContact CD2-CE1 4.33Å; L106-Y157 WeakPolarHBondContact CD2-OH 3.39Å; V114-Y157 HydrophobicContact CG2-CD1 3.86Å; V114-Y157 HydrophobicContact CG2-CE1 3.83Å; I116-Y157 HydrophobicContact CD1-CD1 4.2Å; I116-Y157 HydrophobicContact CD1-CG 4.25Å; K146-Y157 WeakPolarHBondContact O-CA 3.45Å; E147-Y157 HydrophobicContact CB-CD1 3.93Å; E147-Y157 HydrophobicContact CB-CE1 3.78Å; V155-Y157 HydrophobicContact CB-CE2 4.41Å; V155-Y157 HydrophobicContact CG1-CD1 4.5Å; V155-Y157 HydrophobicContact CG1-CE1 3.85Å; V155-Y157 HydrophobicContact CG1-CE2 4.01Å; Y157-Y172 CarbonylContact O-C 3.58Å; Y157-Y172 VanDerWaalsContact O-CA 3.3Å; Y157-Y172 WeakPolarHBondContact O-CA 3.45Å; Y157-I173 PolarHBondContact O-N 2.86Å; Y157-F196 HydrophobicContact CD2-CD2 4.16Å; Y157-F196 HydrophobicContact CD2-CG 4.47Å; Y157-F196 HydrophobicContact CE2-CB 4.02Å; Y157-F196 HydrophobicContact CE2-CD2 4.49Å; Y157-F196 HydrophobicContact CE2-CG 4.38Å; Y157-P198 WeakPolarHBondContact OH-CG 3.3Å |
| 158 | S | 98.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.028 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145 | 180 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | F145 K146 I160 W171 | F145-S158 CarbonylContact C-O 3.59Å; F145-S158 VanDerWaalsContact CA-O 3.32Å; F145-S158 WeakPolarHBondContact CA-O 3.49Å; K146-S158 PolarHBondContact N-O 2.69Å; K146-S158 PolarHBondContact O-N 2.86Å; S158-I160 PolarHBondContact O-N 3.45Å; S158-W171 CarbonylContact C-O 3.5Å; S158-W171 WeakPolarHBondContact CA-O 3.46Å; S158-W171 VanDerWaalsContact CB-O 3.26Å; S158-W171 WeakPolarHBondContact CB-O 3.41Å |
| 159 | S | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 136.3 | 171.2 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | L161 Y162 W171 | S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 2.84Å; S159-L161 VanDerWaalsContact OG-N 3.17Å; S159-Y162 PolarHBondContact OG-N 3.21Å; S159-W171 PolarHBondContact N-O 3.36Å |
| 160 | I | 98.3 | Very high | 96.6 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -23.9 | 172.5 | 67.6 | 165.1 | 0 | 0 | 0 | 112.1 | I113 K144 K146 S158 | I113-I160 HydrophobicContact CD1-CG2 4.3Å; I113-I160 HydrophobicContact CG1-CG2 4.37Å; I113-I160 HydrophobicContact CG2-CG2 4.27Å; K144-I160 HydrophobicContact CB-CD1 3.45Å; K144-I160 VanDerWaalsContact CB-CD1 3.45Å; K144-I160 HydrophobicContact CB-CG1 3.82Å; K144-I160 HydrophobicContact CB-CG2 4.46Å; K144-I160 HydrophobicContact CD-CD1 3.69Å; K144-I160 HydrophobicContact CG-CD1 4.19Å; K144-I160 PolarHBondContact O-N 2.93Å; K146-I160 HydrophobicContact CB-CG2 4.06Å; S158-I160 PolarHBondContact O-N 3.45Å |
| 161 | L | 97.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -41.6 | -175.4 | -58.5 | 179 | 0 | 0 | 0 | 112.2 | P141 E142 S159 | P141-L161 HydrophobicContact CB-CD1 3.86Å; P141-L161 HydrophobicContact CB-CD2 4.38Å; E142-L161 HydrophobicContact CG-CD1 3.87Å; S159-L161 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact OG-N 2.84Å; S159-L161 VanDerWaalsContact OG-N 3.17Å |
| 162 | Y | 98.4 | Very high | 97 | Very high | 51 Ų | 51 | 62.2 Ų | 62.2 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.6 | -164 | -54.7 | -54.5 | 0 | 0 | 0 | 113.3 | M127 N128 S129 E142 S159 W171 | M127-Y162 WeakPolarHBondContact O-CD2 3.46Å; M127-Y162 WeakPolarHBondContact O-CE2 3.29Å; N128-Y162 VanDerWaalsContact O-CD2 3.24Å; N128-Y162 WeakPolarHBondContact O-CD2 3.43Å; N128-Y162 WeakPolarHBondContact O-CE2 3.37Å; S129-Y162 VanDerWaalsContact CA-CZ 3.48Å; S129-Y162 VanDerWaalsContact N-CE2 3.34Å; E142-Y162 HydrophobicContact CG-CE2 3.96Å; E142-Y162 PolarHBondContact OE1-OH 3.42Å; S159-Y162 PolarHBondContact OG-N 3.21Å; Y162-W171 VanDerWaalsContact CB-CE3 3.42Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.25Å; Y162-W171 PolarHBondContact O-N 3.07Å |
| 163 | R | 98.1 | Very high | 97.5 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.7 | -177.6 | -54 | -173.3 | 165.3 | -101.1 | -15.2 | 109 | T165 R169 | R163-T165 PolarHBondContact O-N 2.82Å; R163-R169 CarbonylContact C-O 3.57Å; R163-R169 WeakPolarHBondContact CA-O 3.42Å |
| 164 | Q | 97.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | trans | -64.4 | 121.3 | 171.3 | -165.6 | 74.4 | 39.7 | 0 | 0 | 109.8 | Q166 S167 G168 R169 | Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.79Å; Q164-S167 WeakPolarHBondContact CB-OG 3.44Å; Q164-S167 WeakPolarHBondContact CG-OG 3.42Å; Q164-G168 VanDerWaalsContact O-CA 3.31Å; Q164-G168 WeakPolarHBondContact O-CA 3.45Å; Q164-G168 PolarHBondContact O-N 3.34Å; Q164-R169 HydrophobicContact CB-CB 4.17Å; Q164-R169 PolarHBondContact N-O 3.23Å | ||
| 165 | T | 94.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 46.5 Ų | 46.5 | 87% | 0.871 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -42.5 | -175 | -44.9 | 0 | 0 | 0 | 0 | 113.2 | R163 | R163-T165 PolarHBondContact O-N 2.82Š|
| 166 | Q | 94.8 | Very high | 97.9 | Very high | 190 Ų | 190 | 46.7 Ų | 46.7 | 89% | 0.888 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -43.2 | -175.3 | -65 | 178.5 | 7.2 | 0 | 0 | 113.2 | Q164 | Q164-Q166 VanDerWaalsContact C-N 3.33Å; Q164-Q166 PolarHBondContact O-N 2.79Å |
| 167 | S | 96.4 | Very high | 97.8 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 57% | 0.566 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -7.9 | -173.3 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | Q164 R169 | Q164-S167 WeakPolarHBondContact CB-OG 3.44Å; Q164-S167 WeakPolarHBondContact CG-OG 3.42Å; S167-R169 PolarHBondContact O-N 2.87Å; S167-R169 VanDerWaalsContact O-N 3.09Å; S167-R169 WeakPolarHBondContact OG-CB 3.33Å |
| 168 | G | 96.9 | Very high | 97.8 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | trans | 67.1 | 4.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q164 A170 | Q164-G168 VanDerWaalsContact O-CA 3.31Å; Q164-G168 WeakPolarHBondContact O-CA 3.45Å; Q164-G168 PolarHBondContact O-N 3.34Å; G168-A170 PolarHBondContact O-N 2.8Å | ||
| 169 | R | 97.6 | Very high | 97.7 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -64 | 123.1 | -177.6 | -178.7 | 178 | 60.6 | 83.3 | -1.1 | 110.4 | R163 Q164 S167 N185 V187 | R163-R169 CarbonylContact C-O 3.57Å; R163-R169 WeakPolarHBondContact CA-O 3.42Å; Q164-R169 HydrophobicContact CB-CB 4.17Å; Q164-R169 PolarHBondContact N-O 3.23Å; S167-R169 PolarHBondContact O-N 2.87Å; S167-R169 VanDerWaalsContact O-N 3.09Å; S167-R169 WeakPolarHBondContact OG-CB 3.33Å; R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.04Å; R169-V187 PolarHBondContact NH1-O 3.13Å |
| 170 | A | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 155.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G168 Y172 | G168-A170 PolarHBondContact O-N 2.8Å; A170-Y172 HydrophobicContact CB-CE2 3.75Å; A170-Y172 VanDerWaalsContact O-CD2 3.29Å; A170-Y172 WeakPolarHBondContact O-CD2 3.4Å; A170-Y172 WeakPolarHBondContact O-CE2 3.18Å |
| 171 | W | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.5 | 170.4 | -64.1 | 1 | 0 | 0 | 0 | 109.5 | M127 S129 E130 G131 S158 S159 Y162 G184 N185 | M127-W171 HydrophobicContact SD-CB 3.77Å; M127-W171 HydrophobicContact SD-CE3 4.21Å; S129-W171 VanDerWaalsContact O-CH2 3.23Å; S129-W171 WeakPolarHBondContact O-CH2 3.39Å; S129-W171 VanDerWaalsContact O-CZ3 3.25Å; S129-W171 WeakPolarHBondContact O-CZ3 3.36Å; E130-W171 VanDerWaalsContact C-CZ3 3.5Å; G131-W171 VanDerWaalsContact CA-CE3 3.44Å; G131-W171 VanDerWaalsContact N-CZ3 3.26Å; S158-W171 CarbonylContact C-O 3.5Å; S158-W171 WeakPolarHBondContact CA-O 3.46Å; S158-W171 VanDerWaalsContact CB-O 3.26Å; S158-W171 WeakPolarHBondContact CB-O 3.41Å; S159-W171 PolarHBondContact N-O 3.36Å; Y162-W171 VanDerWaalsContact CB-CE3 3.42Å; Y162-W171 HydrophobicContact CG-CE3 4.35Å; Y162-W171 HydrophobicContact CG-CZ3 4.25Å; Y162-W171 PolarHBondContact O-N 3.07Å; W171-G184 WeakPolarHBondContact CA-O 3.24Å; W171-N185 HydrophobicContact CD2-CB 3.77Å; W171-N185 VanDerWaalsContact CE2-CB 3.42Å; W171-N185 HydrophobicContact CE3-CB 4.43Å; W171-N185 HydrophobicContact CG-CB 4.05Å; W171-N185 HydrophobicContact CH2-CB 4.46Å; W171-N185 HydrophobicContact CZ2-CB 3.8Å |
| 172 | Y | 98.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 65 Ų | 65 | 9% | 0.09 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.6 | -168.8 | -64.4 | -94.9 | 0 | 0 | 0 | 111.5 | Y157 A170 G184 V187 K189 | Y157-Y172 CarbonylContact O-C 3.58Å; Y157-Y172 VanDerWaalsContact O-CA 3.3Å; Y157-Y172 WeakPolarHBondContact O-CA 3.45Å; A170-Y172 HydrophobicContact CB-CE2 3.75Å; A170-Y172 VanDerWaalsContact O-CD2 3.29Å; A170-Y172 WeakPolarHBondContact O-CD2 3.4Å; A170-Y172 WeakPolarHBondContact O-CE2 3.18Å; Y172-G184 PolarHBondContact N-O 2.87Å; Y172-G184 VanDerWaalsContact N-O 3.17Å; Y172-G184 VanDerWaalsContact O-CA 3.23Å; Y172-G184 WeakPolarHBondContact O-CA 3.32Å; Y172-V187 WeakPolarHBondContact O-CB 3.34Å; Y172-K189 HydrophobicContact CE1-CB 4.14Å; Y172-K189 HydrophobicContact CE1-CG 4.11Å; Y172-K189 HydrophobicContact CE2-CB 3.94Å |
| 173 | I | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | trans | -61.7 | 138.6 | 161 | -59.5 | -178.9 | 0 | 0 | 0 | 107.7 | I116 V125 M127 L133 F145 Y157 F196 | I116-I173 HydrophobicContact CD1-CD1 3.86Å; V125-I173 HydrophobicContact CG1-CD1 4.15Å; M127-I173 HydrophobicContact CE-CG1 4.49Å; L133-I173 HydrophobicContact CD1-CB 4.26Å; L133-I173 HydrophobicContact CD1-CG1 4.19Å; L133-I173 HydrophobicContact CD1-CG2 3.91Å; L133-I173 HydrophobicContact CD2-CG1 4.07Å; F145-I173 HydrophobicContact CD1-CD1 3.79Å; F145-I173 HydrophobicContact CD1-CG1 3.97Å; F145-I173 HydrophobicContact CD2-CD1 4.13Å; F145-I173 HydrophobicContact CE1-CD1 3.73Å; F145-I173 HydrophobicContact CE1-CG1 3.77Å; F145-I173 HydrophobicContact CE2-CD1 4.06Å; F145-I173 HydrophobicContact CG-CD1 3.99Å; F145-I173 HydrophobicContact CZ-CD1 3.87Å; F145-I173 HydrophobicContact CZ-CG1 4.28Å; Y157-I173 PolarHBondContact O-N 2.86Å; I173-F196 HydrophobicContact CB-CE2 4.47Å; I173-F196 HydrophobicContact CG2-CE2 4.08Å; I173-F196 HydrophobicContact CG2-CZ 3.91Å | ||
| 174 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -166.9 | 156.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | M182 A193 | G174-M182 PolarHBondContact O-N 3.36Å; G174-A193 CarbonylContact C-O 3.56Å; G174-A193 WeakPolarHBondContact CA-O 3.34Å | ||
| 175 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 134.2 | 178.2 | -56.2 | 175.7 | 0 | 0 | 0 | 108 | C77 H79 F81 L83 G179 Q180 V181 A193 F196 | C77-I175 HydrophobicContact CB-CB 4.38Å; C77-I175 HydrophobicContact CB-CD1 4.1Å; H79-I175 PolarHBondContact ND1-O 2.89Å; F81-I175 HydrophobicContact CB-CG2 4.45Å; L83-I175 HydrophobicContact CB-CD1 4.27Å; L83-I175 HydrophobicContact CD1-CD1 4.07Å; I175-G179 VanDerWaalsContact CG2-C 3.48Å; I175-Q180 CarbonylContact C-O 3.59Å; I175-Q180 WeakPolarHBondContact CA-O 3.38Å; I175-V181 HydrophobicContact CG1-CG2 4.47Å; I175-A193 PolarHBondContact N-O 2.91Å; I175-A193 VanDerWaalsContact N-O 3.16Å; I175-A193 WeakPolarHBondContact O-CA 3.35Å; I175-A193 WeakPolarHBondContact O-CB 3.36Å; I175-F196 HydrophobicContact CD1-CE1 4.07Å; I175-F196 HydrophobicContact CD1-CZ 4.46Å; I175-F196 HydrophobicContact CG1-CE1 4.35Å; I175-F196 HydrophobicContact CG1-CZ 4.24Å |
| 176 | N | 98.3 | Very high | 98 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | trans | -73.7 | -171.7 | 177.4 | 72.6 | 6.3 | 0 | 0 | 0 | 111.3 | H79 D178 G179 Q180 M182 | H79-N176 PolarHBondContact ND1-O 2.8Å; N176-D178 PolarHBondContact ND2-OD2 2.48Å; N176-D178 WeakPolarHBondContact OD1-CA 3.4Å; N176-D178 PolarHBondContact OD1-N 2.98Å; N176-G179 PolarHBondContact OD1-N 3.09Å; N176-G179 VanDerWaalsContact OD1-N 3.07Å; N176-Q180 PolarHBondContact N-O 2.92Å; N176-Q180 PolarHBondContact ND2-OE1 3.43Å; N176-Q180 PolarHBondContact OD1-N 2.92Å; N176-Q180 PolarHBondContact OD1-O 3.23Å; N176-M182 HydrophobicContact CB-CG 3.78Å; N176-M182 HydrophobicContact CB-SD 3.69Å | ||
| 177 | R | 98.2 | Very high | 98.2 | Very high | 199 Ų | 199 | 51.7 Ų | 51.7 | 75% | 0.751 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.5 | 179.3 | -68.3 | -176.9 | 176.4 | -136.8 | 0.3 | 113.2 | F81 | F81-R177 WeakPolarHBondContact CE2-O 3.38Š|
| 178 | D | 97.9 | Very high | 98.2 | Very high | 123 Ų | 123 | 53 Ų | 53 | 66% | 0.658 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | 4 | -178.2 | -46.9 | -54.7 | 0 | 0 | 0 | 111.8 | N176 | N176-D178 PolarHBondContact ND2-OD2 2.48Å; N176-D178 WeakPolarHBondContact OD1-CA 3.4Å; N176-D178 PolarHBondContact OD1-N 2.98Å |
| 179 | G | 97.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 82.9 | 6.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G93 I175 N176 | G93-G179 WeakPolarHBondContact CA-O 3.44Å; G93-G179 PolarHBondContact N-O 3.47Å; I175-G179 VanDerWaalsContact CG2-C 3.48Å; N176-G179 PolarHBondContact OD1-N 3.09Å; N176-G179 VanDerWaalsContact OD1-N 3.07Å |
| 180 | Q | 98.3 | Very high | 98.3 | Very high | 122 Ų | 122 | 55.8 Ų | 55.8 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | B | Isolated β-bridge | trans | -91 | 140.7 | -179.1 | -56.4 | 170.3 | -24.2 | 0 | 0 | 111.6 | I175 N176 | I175-Q180 CarbonylContact C-O 3.59Å; I175-Q180 WeakPolarHBondContact CA-O 3.38Å; N176-Q180 PolarHBondContact N-O 2.92Å; N176-Q180 PolarHBondContact ND2-OE1 3.43Å; N176-Q180 PolarHBondContact OD1-N 2.92Å; N176-Q180 PolarHBondContact OD1-O 3.23Å |
| 181 | V | 98.3 | Very high | 98.3 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 136.4 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | L83 M91 L133 I175 | L83-V181 HydrophobicContact CD1-CG2 4.19Å; M91-V181 HydrophobicContact CB-CG2 4.1Å; M91-V181 VanDerWaalsContact O-CG2 3.24Å; M91-V181 WeakPolarHBondContact O-CG2 3.15Å; L133-V181 HydrophobicContact CB-CG1 3.96Å; L133-V181 HydrophobicContact CD1-CG1 3.5Å; L133-V181 VanDerWaalsContact CD1-CG1 3.5Å; L133-V181 HydrophobicContact CG-CG1 4.25Å; I175-V181 HydrophobicContact CG1-CG2 4.47Å |
| 182 | M | 98.4 | Very high | 98.2 | Very high | 41 Ų | 41 | 61 Ų | 61 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 149.8 | -175.8 | -63.4 | -176.7 | 71.2 | 0 | 0 | 112.4 | G174 N176 G184 R186 V187 A193 | G174-M182 PolarHBondContact O-N 3.36Å; N176-M182 HydrophobicContact CB-CG 3.78Å; N176-M182 HydrophobicContact CB-SD 3.69Å; M182-G184 PolarHBondContact O-N 2.89Å; M182-R186 HydrophobicContact CE-CB 4.26Å; M182-V187 HydrophobicContact CB-CG2 3.54Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.2Å; M182-A193 HydrophobicContact SD-CB 3.79Å |
| 183 | K | 98.4 | Very high | 98.2 | Very high | 48 Ų | 48 | 60.3 Ų | 60.3 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.6 | 166.3 | -155.9 | 179.6 | -155 | -158.7 | 0 | 110.4 | E130 G131 Y132 N185 R186 V187 | E130-K183 WeakPolarHBondContact O-CE 3.4Å; E130-K183 PolarHBondContact O-NZ 2.89Å; G131-K183 CarbonylContact O-C 3.46Å; G131-K183 WeakPolarHBondContact O-CA 3.41Å; G131-K183 VanDerWaalsContact O-CG 3.29Å; G131-K183 WeakPolarHBondContact O-CG 3.49Å; Y132-K183 HydrophobicContact CD1-CD 4.36Å; Y132-K183 HydrophobicContact CD1-CG 4.11Å; Y132-K183 HydrophobicContact CE1-CD 3.99Å; Y132-K183 HydrophobicContact CE1-CG 4.18Å; Y132-K183 HydrophobicContact CE2-CD 4.47Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 VanDerWaalsContact CD-OD1 3.27Å; K183-N185 WeakPolarHBondContact CD-OD1 3.33Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.3Å; K183-N185 PolarHBondContact O-N 2.88Å; K183-N185 VanDerWaalsContact O-N 3.16Å; K183-R186 HydrophobicContact CB-CG 4.25Å; K183-R186 WeakPolarHBondContact O-CA 3.47Å; K183-R186 WeakPolarHBondContact O-CB 3.19Å; K183-R186 PolarHBondContact O-N 3.44Å; K183-V187 PolarHBondContact O-N 2.8Å |
| 184 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G131 W171 Y172 M182 R186 V187 | G131-G184 PolarHBondContact O-N 3.2Å; W171-G184 WeakPolarHBondContact CA-O 3.24Å; Y172-G184 PolarHBondContact N-O 2.87Å; Y172-G184 VanDerWaalsContact N-O 3.17Å; Y172-G184 VanDerWaalsContact O-CA 3.23Å; Y172-G184 WeakPolarHBondContact O-CA 3.32Å; M182-G184 PolarHBondContact O-N 2.89Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 3.3Å; G184-V187 PolarHBondContact O-N 3.37Å |
| 185 | N | 98.2 | Very high | 98.2 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23 | 174.8 | 70.3 | -24.3 | 0 | 0 | 0 | 113.3 | R169 W171 K183 | R169-N185 PolarHBondContact NH1-O 3.04Å; R169-N185 PolarHBondContact NH2-O 3.04Å; W171-N185 HydrophobicContact CD2-CB 3.77Å; W171-N185 VanDerWaalsContact CE2-CB 3.42Å; W171-N185 HydrophobicContact CE3-CB 4.43Å; W171-N185 HydrophobicContact CG-CB 4.05Å; W171-N185 HydrophobicContact CH2-CB 4.46Å; W171-N185 HydrophobicContact CZ2-CB 3.8Å; K183-N185 VanDerWaalsContact C-N 3.26Å; K183-N185 VanDerWaalsContact CD-OD1 3.27Å; K183-N185 WeakPolarHBondContact CD-OD1 3.33Å; K183-N185 VanDerWaalsContact CG-OD1 3.24Å; K183-N185 WeakPolarHBondContact CG-OD1 3.3Å; K183-N185 PolarHBondContact O-N 2.88Å; K183-N185 VanDerWaalsContact O-N 3.16Å |
| 186 | R | 98.2 | Very high | 98.2 | Very high | 183 Ų | 183 | 60.1 Ų | 60.1 | 69% | 0.691 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.8 | 176.3 | -61.4 | 176.1 | 68.5 | -179.1 | 0.5 | 112.4 | M182 K183 G184 | M182-R186 HydrophobicContact CE-CB 4.26Å; K183-R186 HydrophobicContact CB-CG 4.25Å; K183-R186 WeakPolarHBondContact O-CA 3.47Å; K183-R186 WeakPolarHBondContact O-CB 3.19Å; K183-R186 PolarHBondContact O-N 3.44Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 3.3Å |
| 187 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | trans | -80.6 | 130.3 | 178.5 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | R169 Y172 M182 K183 G184 A193 A194 | R169-V187 PolarHBondContact NH1-O 3.13Å; Y172-V187 WeakPolarHBondContact O-CB 3.34Å; M182-V187 HydrophobicContact CB-CG2 3.54Å; M182-V187 HydrophobicContact CG-CG2 4.43Å; M182-V187 HydrophobicContact SD-CG2 4.2Å; K183-V187 PolarHBondContact O-N 2.8Å; G184-V187 PolarHBondContact O-N 3.37Å; V187-A193 HydrophobicContact CG1-CB 4.34Å; V187-A194 HydrophobicContact CG1-CB 3.54Å | ||
| 188 | K | 97.9 | Very high | 98.2 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | trans | -113.7 | 137.5 | 179.9 | -65.5 | -177.8 | -178.5 | -178.1 | 0 | 109.6 | T190 K191 A194 | K188-T190 PolarHBondContact O-N 3.21Å; K188-T190 VanDerWaalsContact O-N 3.09Å; K188-K191 HydrophobicContact CB-CB 4.32Å; K188-K191 HydrophobicContact CB-CG 3.82Å; K188-K191 HydrophobicContact CD-CG 4.46Å; K188-K191 PolarHBondContact O-N 2.79Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å | ||
| 189 | K | 97.8 | Very high | 98.2 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -37.7 | 179.7 | -168.8 | 179.9 | 178.9 | -176 | 0 | 113.8 | F150 T156 Y172 K191 H195 | F150-K189 HydrophobicContact CD2-CD 4.34Å; F150-K189 HydrophobicContact CD2-CG 4.06Å; F150-K189 HydrophobicContact CE2-CG 4.28Å; T156-K189 HydrophobicContact CG2-CG 4.39Å; Y172-K189 HydrophobicContact CE1-CB 4.14Å; Y172-K189 HydrophobicContact CE1-CG 4.11Å; Y172-K189 HydrophobicContact CE2-CB 3.94Å; K189-K191 VanDerWaalsContact C-N 3.32Å; K189-H195 PolarHBondContact O-NE2 2.84Å |
| 190 | T | 97.1 | Very high | 98.1 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.7 | -176.1 | 55.6 | 0 | 0 | 0 | 0 | 114 | F150 K188 | F150-T190 HydrophobicContact CE2-CG2 4.32Å; F150-T190 HydrophobicContact CZ-CG2 4.17Å; K188-T190 PolarHBondContact O-N 3.21Å; K188-T190 VanDerWaalsContact O-N 3.09Å |
| 191 | K | 98.2 | Very high | 98.1 | Very high | 125 Ų | 125 | 54 Ų | 54 | 54% | 0.543 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -107.8 | 140.9 | -178.2 | -63.5 | -62.2 | -176.5 | -175.8 | 0 | 109.4 | K188 K189 A193 A194 H195 | K188-K191 HydrophobicContact CB-CB 4.32Å; K188-K191 HydrophobicContact CB-CG 3.82Å; K188-K191 HydrophobicContact CD-CG 4.46Å; K188-K191 PolarHBondContact O-N 2.79Å; K189-K191 VanDerWaalsContact C-N 3.32Å; K191-A193 PolarHBondContact O-N 3.16Å; K191-A194 PolarHBondContact O-N 2.89Å; K191-H195 PolarHBondContact O-CD2 3.11Å; K191-H195 PolarHBondContact O-NE2 2.69Å |
| 192 | G | 97.9 | Very high | 98 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -53 | -25.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A194 H195 | G192-A194 PolarHBondContact O-N 3.35Å; G192-H195 WeakPolarHBondContact O-CB 3.25Å; G192-H195 PolarHBondContact O-N 3.44Å |
| 193 | A | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -55.1 | -32.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H79 G174 I175 M182 V187 K191 | H79-A193 VanDerWaalsContact CE1-CA 3.4Å; H79-A193 WeakPolarHBondContact CE1-CA 3.37Å; H79-A193 PolarHBondContact CE1-N 2.68Å; H79-A193 PolarHBondContact NE2-N 3.42Å; G174-A193 CarbonylContact C-O 3.56Å; G174-A193 WeakPolarHBondContact CA-O 3.34Å; I175-A193 PolarHBondContact N-O 2.91Å; I175-A193 VanDerWaalsContact N-O 3.16Å; I175-A193 WeakPolarHBondContact O-CA 3.35Å; I175-A193 WeakPolarHBondContact O-CB 3.36Å; M182-A193 HydrophobicContact SD-CB 3.79Å; V187-A193 HydrophobicContact CG1-CB 4.34Å; K191-A193 PolarHBondContact O-N 3.16Å |
| 194 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -88.1 | -7.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T156 V187 K188 K191 G192 F196 | T156-A194 HydrophobicContact CG2-CB 4.39Å; T156-A194 WeakPolarHBondContact CG2-O 3.4Å; V187-A194 HydrophobicContact CG1-CB 3.54Å; K188-A194 WeakPolarHBondContact O-CB 3.21Å; K191-A194 PolarHBondContact O-N 2.89Å; G192-A194 PolarHBondContact O-N 3.35Å; A194-F196 WeakPolarHBondContact O-CD2 3.46Å |
| 195 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -96.6 | 113.2 | -166.2 | -66 | -165.9 | 0 | 0 | 0 | 109.7 | C77 R78 F150 Y154 K189 K191 G192 | C77-H195 CarbonylContact C-O 3.48Å; C77-H195 WeakPolarHBondContact CA-O 3.18Å; R78-H195 HydrophobicContact CB-CB 3.76Å; R78-H195 PolarHBondContact N-O 2.81Å; R78-H195 PolarHBondContact NH1-CE1 3.37Å; R78-H195 PolarHBondContact NH1-ND1 2.89Å; F150-H195 AromaticContact CD1-CE1 3.38Å; F150-H195 WeakPolarHBondContact CD1-CE1 3.39Å; F150-H195 AromaticContact CD1-NE2 3.43Å; F150-H195 WeakPolarHBondContact CD1-NE2 3.39Å; F150-H195 AromaticContact CE1-CE1 3.27Å; F150-H195 WeakPolarHBondContact CE1-CE1 3.5Å; F150-H195 AromaticContact CE1-NE2 3.4Å; F150-H195 WeakPolarHBondContact CE1-NE2 3.31Å; Y154-H195 HydrophobicContact CD1-CB 3.7Å; Y154-H195 HydrophobicContact CD2-CB 4.05Å; Y154-H195 AromaticContact CD2-CG 3.92Å; Y154-H195 AromaticContact CD2-ND1 3.31Å; Y154-H195 VanDerWaalsContact CD2-ND1 3.31Å; Y154-H195 WeakPolarHBondContact CD2-ND1 3.42Å; Y154-H195 HydrophobicContact CE1-CB 4.27Å; Y154-H195 AromaticContact CE2-ND1 3.68Å; Y154-H195 HydrophobicContact CG-CB 3.58Å; Y154-H195 AromaticContact CG-CG 3.89Å; Y154-H195 AromaticContact CG-ND1 3.78Å; K189-H195 PolarHBondContact O-NE2 2.84Å; K191-H195 PolarHBondContact O-CD2 3.11Å; K191-H195 PolarHBondContact O-NE2 2.69Å; G192-H195 WeakPolarHBondContact O-CB 3.25Å; G192-H195 PolarHBondContact O-N 3.44Å | ||
| 196 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.7 | 177.4 | -66 | -93.5 | 0 | 0 | 0 | 111 | L75 Y76 C77 V155 Y157 I173 I175 A194 | L75-F196 HydrophobicContact CB-CD1 4.1Å; Y76-F196 CarbonylContact O-C 3.59Å; Y76-F196 WeakPolarHBondContact O-CA 3.43Å; C77-F196 HydrophobicContact CB-CD1 4.06Å; C77-F196 HydrophobicContact CB-CE1 3.82Å; C77-F196 HydrophobicContact CB-CZ 4.44Å; V155-F196 PolarHBondContact N-O 2.96Å; V155-F196 PolarHBondContact O-N 3.46Å; Y157-F196 HydrophobicContact CD2-CD2 4.16Å; Y157-F196 HydrophobicContact CD2-CG 4.47Å; Y157-F196 HydrophobicContact CE2-CB 4.02Å; Y157-F196 HydrophobicContact CE2-CD2 4.49Å; Y157-F196 HydrophobicContact CE2-CG 4.38Å; I173-F196 HydrophobicContact CB-CE2 4.47Å; I173-F196 HydrophobicContact CG2-CE2 4.08Å; I173-F196 HydrophobicContact CG2-CZ 3.91Å; I175-F196 HydrophobicContact CD1-CE1 4.07Å; I175-F196 HydrophobicContact CD1-CZ 4.46Å; I175-F196 HydrophobicContact CG1-CE1 4.35Å; I175-F196 HydrophobicContact CG1-CZ 4.24Å; A194-F196 WeakPolarHBondContact O-CD2 3.46Å |
| 197 | L | 98.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 61.9 Ų | 61.9 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 108.3 | 169.6 | -177.7 | 64 | 0 | 0 | 0 | 107.9 | Y76 K199 | Y76-L197 PolarHBondContact N-O 2.97Å; Y76-L197 PolarHBondContact O-N 2.83Å; L197-K199 PolarHBondContact O-N 3.33Å |
| 198 | P | 97.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 114.6 | 172.3 | -20.5 | 34 | 0 | 0 | 0 | 110 | R74 L75 V155 Y157 L200 | R74-P198 WeakPolarHBondContact O-CA 3.12Å; L75-P198 HydrophobicContact CD2-CB 4.3Å; L75-P198 HydrophobicContact CD2-CG 4.29Å; V155-P198 HydrophobicContact CB-CG 4.33Å; V155-P198 HydrophobicContact CG2-CG 4Å; Y157-P198 WeakPolarHBondContact OH-CG 3.3Å; P198-L200 PolarHBondContact O-N 3.27Å |
| 199 | K | 97.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 63 Ų | 63 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 95.1 | 171.2 | -59.1 | -161.4 | -175.7 | -177.1 | 0 | 108.6 | T73 R74 Y82 L197 I201 | T73-K199 WeakPolarHBondContact CA-O 3.4Å; T73-K199 PolarHBondContact OG1-N 2.95Å; T73-K199 PolarHBondContact OG1-O 3.29Å; R74-K199 HydrophobicContact CB-CB 4.35Å; R74-K199 PolarHBondContact N-O 3.33Å; R74-K199 PolarHBondContact O-N 3.41Å; Y82-K199 HydrophobicContact CE1-CD 3.95Å; Y82-K199 PolarHBondContact OH-NZ 3.48Å; L197-K199 PolarHBondContact O-N 3.33Å; K199-I201 PolarHBondContact O-N 2.61Å |
| 200 | L | 97 | Very high | 96.1 | Very high | 108 Ų | 108 | 63.2 Ų | 63.2 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 133.6 | -179.7 | 178.7 | 64.1 | 0 | 0 | 0 | 110.7 | I71 P198 E202 | I71-L200 HydrophobicContact CB-CD1 3.66Å; I71-L200 HydrophobicContact CD1-CD1 4.15Å; I71-L200 HydrophobicContact CG1-CD1 4.44Å; I71-L200 HydrophobicContact CG2-CD1 3.7Å; P198-L200 PolarHBondContact O-N 3.27Å; L200-E202 WeakPolarHBondContact CD1-O 3.35Å |
| 201 | I | 97.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -59.7 | 169.5 | -62.9 | 166 | 0 | 0 | 0 | 108.3 | V72 R74 Q103 K199 | V72-I201 HydrophobicContact CB-CB 4.43Å; V72-I201 HydrophobicContact CG1-CB 4.32Å; V72-I201 HydrophobicContact CG1-CD1 4.08Å; V72-I201 WeakPolarHBondContact O-CB 3.47Å; V72-I201 PolarHBondContact O-N 3.26Å; R74-I201 HydrophobicContact CG-CD1 3.86Å; R74-I201 HydrophobicContact CG-CG1 4.5Å; Q103-I201 HydrophobicContact CG-CD1 3.74Å; K199-I201 PolarHBondContact O-N 2.61Å |
| 202 | E | 97.1 | Very high | 95.2 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 165.2 | -179.6 | 61.5 | 179.3 | -172.1 | 0 | 0 | 112 | I71 V72 L200 | I71-E202 CarbonylContact C-O 3.51Å; I71-E202 WeakPolarHBondContact CA-O 3.38Å; V72-E202 HydrophobicContact CB-CG 3.79Å; V72-E202 HydrophobicContact CG2-CG 3.82Å; V72-E202 PolarHBondContact N-O 2.86Å; V72-E202 PolarHBondContact O-N 3.5Å; L200-E202 WeakPolarHBondContact CD1-O 3.35Å |
| 203 | V | 97.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 67 Ų | 67 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.9 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | K69 I71 | K69-V203 HydrophobicContact CD-CG1 4.33Å; K69-V203 VanDerWaalsContact CE-CG1 3.44Å; K69-V203 HydrophobicContact CG-CG1 3.89Å; I71-V203 HydrophobicContact CG2-CG2 4.3Å |
| 204 | A | 95.3 | Very high | 93.3 | Very high | 22 Ų | 22 | 69.7 Ų | 69.7 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 151.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G70 V72 Y206 | G70-A204 PolarHBondContact N-O 3.28Å; G70-A204 PolarHBondContact O-N 2.97Å; G70-A204 VanDerWaalsContact O-N 3.09Å; V72-A204 HydrophobicContact CG2-CB 4.26Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.73Å; A204-Y206 WeakPolarHBondContact O-CE2 3.05Å |
| 205 | M | 95.3 | Very high | 91.6 | Very high | 103 Ų | 103 | 73.8 Ų | 73.8 | 51% | 0.507 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.3 | 174.1 | -60.3 | -57.1 | -63.6 | 0 | 0 | 109 | Q67 L68 K69 | Q67-M205 HydrophobicContact CB-CB 4.44Å; Q67-M205 HydrophobicContact CB-CE 3.4Å; L68-M205 WeakPolarHBondContact O-CA 3.38Å; K69-M205 HydrophobicContact CB-CE 4.29Å; K69-M205 HydrophobicContact CB-SD 3.9Å; K69-M205 HydrophobicContact CG-SD 4Å |
| 206 | Y | 94.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 82.8 Ų | 82.8 | 11% | 0.11 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.5 | -179.3 | -59.8 | -82.6 | 0 | 0 | 0 | 110.3 | Q67 L68 I71 V72 N105 I107 A204 | Q67-Y206 CarbonylContact C-O 3.58Å; Q67-Y206 WeakPolarHBondContact CA-O 3.27Å; L68-Y206 PolarHBondContact N-O 3.29Å; L68-Y206 PolarHBondContact O-N 3.29Å; I71-Y206 PolarHBondContact O-OH 3.39Å; V72-Y206 WeakPolarHBondContact CG2-OH 3.39Å; N105-Y206 HydrophobicContact CB-CE1 3.66Å; N105-Y206 WeakPolarHBondContact CB-OH 3.08Å; N105-Y206 VanDerWaalsContact CG-OH 3.31Å; N105-Y206 WeakPolarHBondContact OD1-CE1 3.22Å; N105-Y206 PolarHBondContact OD1-OH 3.19Å; I107-Y206 HydrophobicContact CD1-CD1 3.91Å; I107-Y206 HydrophobicContact CD1-CE1 4.39Å; I107-Y206 HydrophobicContact CD1-CG 4.08Å; I107-Y206 HydrophobicContact CG1-CD1 4Å; I107-Y206 HydrophobicContact CG1-CD2 3.98Å; I107-Y206 HydrophobicContact CG1-CE1 4.28Å; I107-Y206 HydrophobicContact CG1-CE2 4.25Å; I107-Y206 HydrophobicContact CG1-CG 3.84Å; I107-Y206 HydrophobicContact CG2-CD2 4.44Å; I107-Y206 HydrophobicContact CG2-CG 4.31Å; A204-Y206 HydrophobicContact CB-CE1 4.39Å; A204-Y206 HydrophobicContact CB-CE2 3.73Å; A204-Y206 WeakPolarHBondContact O-CE2 3.05Å |
| 207 | R | 92.4 | Very high | 86.8 | Confident | 172 Ų | 172 | 91.6 Ų | 91.6 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.5 | 162.8 | -169.4 | 179.7 | -170 | -174.1 | 4.1 | 109 | E65 P209 | E65-R207 VanDerWaalsContact CD-NH2 3.34Å; E65-R207 IonicContact OE1-CZ 3.46Å; E65-R207 IonicContact OE1-NE 3.67Å; E65-R207 IonicContact OE1-NH2 2.69Å; E65-R207 PolarHBondContact OE1-NH2 3.07Å; E65-R207 WeakPolarHBondContact OE2-CD 3.35Å; E65-R207 IonicContact OE2-CZ 3.16Å; E65-R207 IonicContact OE2-NE 2.69Å; E65-R207 PolarHBondContact OE2-NE 2.96Å; E65-R207 IonicContact OE2-NH2 3.26Å; E65-R207 PolarHBondContact OE2-NH2 3.09Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.46Å |
| 208 | E | 90.5 | Very high | 83.8 | Confident | 116 Ų | 116 | 93.8 Ų | 93.8 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 122.2 | 170.6 | -172.9 | 167.6 | -169 | 0 | 0 | 110.8 | L68 | L68-E208 HydrophobicContact CD1-CB 4.09Å; L68-E208 HydrophobicContact CD1-CG 4.24Å; L68-E208 HydrophobicContact CG-CB 4.47Å |
| 209 | P | 91.7 | Very high | 81.3 | Confident | 18 Ų | 18 | 97.2 Ų | 97.2 | 12% | 0.117 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 136.5 | 178.5 | -23 | 34.6 | 0 | 0 | 0 | 111.8 | I107 V109 F139 R207 L211 | I107-P209 HydrophobicContact CD1-CG 4.46Å; I107-P209 HydrophobicContact CG2-CG 4.4Å; V109-P209 HydrophobicContact CG1-CG 4.38Å; F139-P209 HydrophobicContact CB-CB 3.77Å; F139-P209 HydrophobicContact CD1-CB 3.54Å; F139-P209 HydrophobicContact CD2-CB 4.27Å; F139-P209 HydrophobicContact CE1-CB 4.13Å; F139-P209 HydrophobicContact CG-CB 3.59Å; R207-P209 VanDerWaalsContact O-CD 3.31Å; R207-P209 WeakPolarHBondContact O-CD 3.46Å; P209-L211 PolarHBondContact O-N 3.39Å |
| 210 | S | 88.9 | Confident | 78.5 | Confident | 84 Ų | 84 | 99.5 Ų | 99.5 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 121 | 176.3 | 45.5 | 0 | 0 | 0 | 0 | 111 | H212 | S210-H212 PolarHBondContact O-CE1 2.93Å; S210-H212 PolarHBondContact O-N 3.22Å; S210-H212 PolarHBondContact O-ND1 2.89Å; S210-H212 PolarHBondContact OG-CE1 3.23Å |
| 211 | L | 89.4 | Confident | 75.9 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 56% | 0.555 | S | S | . | * | B | Isolated β-bridge | trans | -73.1 | 124.9 | 179.9 | -168.5 | 67.3 | 0 | 0 | 0 | 110.5 | F139 P141 P209 | F139-L211 HydrophobicContact CD1-CB 4.5Å; F139-L211 HydrophobicContact CD1-CD1 3.91Å; F139-L211 HydrophobicContact CE1-CD1 3.83Å; F139-L211 CarbonylContact O-C 3.58Å; F139-L211 WeakPolarHBondContact O-CA 3.24Å; P141-L211 HydrophobicContact CG-CD1 4.12Å; P209-L211 PolarHBondContact O-N 3.39Å |
| 212 | H | 87.3 | Confident | 73.2 | Confident | 71 Ų | 71 | 111.6 Ų | 111.6 | 33% | 0.329 | 58% | 0.578 | S | S | . | * | trans | -110.6 | 145.9 | 174.2 | -65.7 | 69.1 | 0 | 0 | 0 | 110 | H138 F139 T140 P141 S210 | H138-H212 HydrophobicContact CB-CB 4.02Å; H138-H212 AromaticContact ND1-CD2 3.95Å; H138-H212 AromaticContact ND1-CE1 3.98Å; H138-H212 AromaticContact ND1-NE2 3.75Å; F139-H212 PolarHBondContact O-N 2.93Å; T140-H212 WeakPolarHBondContact CA-O 3.41Å; T140-H212 HydrophobicContact CG2-CB 4.44Å; P141-H212 VanDerWaalsContact CD-O 3.29Å; P141-H212 WeakPolarHBondContact CD-O 3.22Å; S210-H212 PolarHBondContact O-CE1 2.93Å; S210-H212 PolarHBondContact O-N 3.22Å; S210-H212 PolarHBondContact O-ND1 2.89Å; S210-H212 PolarHBondContact OG-CE1 3.23Å | ||
| 213 | D | 81.9 | Confident | 70.5 | Confident | 149 Ų | 149 | 112.2 Ų | 112.2 | 80% | 0.797 | 59% | 0.59 | S | S | * | * | trans | -72.1 | 145 | 174.4 | -66.9 | -41 | 0 | 0 | 0 | 110.6 | A215 | D213-A215 PolarHBondContact O-N 3Š| ||
| 214 | V | 74.1 | Confident | 67.6 | Low | 64 Ų | 64 | 113.8 Ų | 113.8 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | trans | -71.4 | 114.5 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 106.7 | E142 E216 | E142-V214 HydrophobicContact CG-CG2 4.01Å; V214-E216 PolarHBondContact O-N 3.38Å; V214-E216 VanDerWaalsContact O-N 3.09Å | ||
| 215 | A | 62.2 | Low | 64.9 | Low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | trans | -63.6 | 113.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | D213 Q217 | D213-A215 PolarHBondContact O-N 3Å; A215-Q217 PolarHBondContact O-N 3.4Å | ||
| 216 | E | 50.1 | Low | 62 | Low | 189 Ų | 189 | 124.3 Ų | 124.3 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | trans | -61.8 | 104.5 | 167.6 | -74 | -173.6 | 168.1 | 0 | 0 | 107.8 | V214 S218 | V214-E216 PolarHBondContact O-N 3.38Å; V214-E216 VanDerWaalsContact O-N 3.09Å; E216-S218 PolarHBondContact O-N 2.71Å | ||
| 217 | Q | 47.5 | Very low | 59.2 | Low | 186 Ų | 186 | 127.9 Ų | 127.9 | 87% | 0.869 | 68% | 0.681 | S | S | * | * | trans | -66.5 | 92.2 | 168.4 | -69.5 | -175.7 | 15.6 | 0 | 0 | 107.5 | A215 | A215-Q217 PolarHBondContact O-N 3.4Š| ||
| 218 | S | 34.8 | Very low | 56.4 | Low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | -53.6 | 138.4 | 167.5 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | E216 | E216-S218 PolarHBondContact O-N 2.71Š| ||
| 219 | P | 45.1 | Very low | 53.7 | Low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | trans | -59.8 | 144.3 | 177.1 | 22.4 | -30.3 | 0 | 0 | 0 | 109.7 | R221 | P219-R221 PolarHBondContact O-N 2.97Š| ||
| 220 | P | 40.1 | Very low | 51 | Low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -57.1 | 115.9 | -178.7 | 21.7 | -31.2 | 0 | 0 | 0 | 109.1 | K222 | P220-K222 PolarHBondContact O-N 3.06Š| ||
| 221 | R | 40.6 | Very low | 48.9 | Very low | 238 Ų | 238 | 132.7 Ų | 132.7 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | -56.8 | 109.2 | 174.8 | -167.3 | 178.5 | -166.8 | -163.8 | 3.6 | 107.5 | P219 T223 | P219-R221 PolarHBondContact O-N 2.97Å; R221-T223 PolarHBondContact O-N 3.25Å | ||
| 222 | K | 42 | Very low | 46.2 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -54.6 | 115.1 | 168.4 | -68.8 | 180 | 179.8 | 177.8 | 0 | 107.2 | P220 | P220-K222 PolarHBondContact O-N 3.06Š| ||
| 223 | T | 40.2 | Very low | 43.9 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -62.3 | 131.5 | 169 | 42.2 | 0 | 0 | 0 | 0 | 108.3 | R221 K225 | R221-T223 PolarHBondContact O-N 3.25Å; T223-K225 PolarHBondContact O-N 3.39Å | ||
| 224 | P | 36.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -67.8 | 128.1 | 173.7 | -13 | 27.4 | 0 | 0 | 0 | 109 | T226 | P224-T226 PolarHBondContact O-N 3.29Š| ||
| 225 | K | 38.3 | Very low | 39.6 | Very low | 212 Ų | 212 | 141.7 Ų | 141.7 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | trans | -65.8 | 114.5 | 164 | -66.2 | 179.5 | 178.3 | -178.9 | 0 | 107.8 | T223 | T223-K225 PolarHBondContact O-N 3.39Š| ||
| 226 | T | 34.4 | Very low | 38 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -100.9 | 125.4 | 161.5 | 36.8 | 0 | 0 | 0 | 0 | 109.1 | P224 | P224-T226 PolarHBondContact O-N 3.29Š| ||
| 227 | S | 35 | Very low | 37.3 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -71.2 | 166.3 | 177.7 | 46.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 228 | S | 34.1 | Very low | 36.6 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 66.9 | 134.7 | 164.3 | 56.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 229 | D | 33 | Very low | 36.5 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | cis | -163.7 | 153.4 | 24.5 | -148.8 | -7.8 | 0 | 0 | 0 | 108.5 | ||||
| 230 | S | 36.5 | Very low | 36.2 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -97.2 | 156.4 | 169.8 | -56 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 231 | P | 44 | Very low | 35.9 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -155.1 | 151 | 84.3 | 33.1 | -10.1 | 0 | 0 | 0 | 118.6 | |||||
| 232 | V | 33.8 | Very low | 35.7 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | 61.7 | 116.6 | 130.9 | -174.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 233 | L | 37.2 | Very low | 35.4 | Very low | 154 Ų | 154 | 141 Ų | 141 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | 177.2 | 120.5 | 114.7 | -94.1 | 166.2 | 0 | 0 | 0 | 114.4 | |||||
| 234 | N | 33.1 | Very low | 35.2 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 31.6 | 126.4 | 137.6 | -103 | 0.7 | 0 | 0 | 0 | 122.9 | ||||
| 235 | N | 32.4 | Very low | 35.3 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 174.6 | 121.4 | 91 | -104.2 | -13.4 | 0 | 0 | 0 | 114.7 | |||||
| 236 | G | 30.5 | Very low | 35.4 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | 51.6 | 118.6 | 127.3 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 237 | K | 34.2 | Very low | 35.9 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | 171.9 | 110.6 | 117.5 | -98.8 | 174.8 | 177.8 | 175.7 | 0 | 109.7 | |||||
| 238 | K | 34.1 | Very low | 36.4 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | 86.7 | 107.8 | 93.6 | -91.5 | -162.2 | 176.1 | -168 | 0 | 114.9 | |||||
| 239 | E | 31.2 | Very low | 36.5 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | 33 | 128.8 | 136.2 | -66.8 | 176.7 | 132.6 | 0 | 0 | 121.3 | ||||
| 240 | A | 38.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | -163 | 136.3 | 112.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 241 | Q | 34.3 | Very low | 36.7 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | trans | -72.2 | 150.5 | 176.8 | -64.3 | 165.7 | -8.6 | 0 | 0 | 112.1 | ||||
| 242 | S | 36.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | -163.2 | 136 | 124.8 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 243 | K | 36.1 | Very low | 36.5 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 82% | 0.817 | 84% | 0.842 | S | S | * | * | trans | -58 | 156.3 | 172.9 | -60.7 | 160.6 | 177.2 | 175.9 | 0 | 108.8 | ||||
| 244 | T | 35.4 | Very low | 36.4 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | 170.6 | 132.6 | 69.5 | -40.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 245 | K | 38.5 | Very low | 36.7 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 88% | 0.878 | 85% | 0.853 | S | S | * | * | 155.9 | 127 | 117.3 | -90 | -171.5 | 176.7 | 177.8 | 0 | 112.6 | |||||
| 246 | T | 39.7 | Very low | 37 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 86% | 0.859 | 86% | 0.857 | S | S | * | * | trans | -85.7 | 142.1 | 179.9 | -32.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 247 | S | 45.7 | Very low | 37.5 | Very low | 110 Ų | 110 | 159.2 Ų | 159.2 | 77% | 0.769 | 87% | 0.868 | S | S | * | * | trans | 170.2 | 119 | 139.7 | 54.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 248 | S | 45.6 | Very low | 37.8 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 100% | 1.357 | 87% | 0.868 | S | S | * | * | cis | -149.5 | 0 | 34.7 | -65.5 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 248 of 248 residues in 122.1 ms
(Link to these results)