| 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 | 30.9 | Very low | 31.9 | Very low | 236 Ų | 236 | 165.2 Ų | 165.2 | 100% | 1.163 | 83% | 0.826 | S | S | * | * | 0 | 129.2 | 0 | -126.2 | 166.8 | 179.3 | 0 | 0 | 107.2 | |||||
| 2 | L | 32.4 | Very low | 31.6 | Very low | 154 Ų | 154 | 161.5 Ų | 161.5 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | cis | -162.3 | 154.7 | -20.7 | -123.2 | 156.4 | 0 | 0 | 0 | 104.2 | ||||
| 3 | R | 34.2 | Very low | 31.5 | Very low | 217 Ų | 217 | 167.4 Ų | 167.4 | 82% | 0.819 | 83% | 0.831 | S | S | * | * | trans | -47.3 | 158 | -179.1 | -74.9 | 171.2 | 169.7 | 167.3 | -5 | 117 | ||||
| 4 | K | 33.7 | Very low | 31.5 | Very low | 196 Ų | 196 | 164.4 Ų | 164.4 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | 165.5 | 117.6 | 113.9 | -88.6 | -179.9 | -179.7 | -174.2 | 0 | 108.8 | |||||
| 5 | D | 35.9 | Very low | 31.1 | Very low | 145 Ų | 145 | 167.7 Ų | 167.7 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | 72.2 | 132.2 | 78.6 | -85.8 | -53.9 | 0 | 0 | 0 | 116.8 | |||||
| 6 | C | 30.5 | Very low | 31.4 | Very low | 109 Ų | 109 | 165.6 Ų | 165.6 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | 109.6 | 113.2 | 148.3 | -101.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 7 | D | 30.4 | Very low | 31.3 | Very low | 133 Ų | 133 | 167.9 Ų | 167.9 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | 72.3 | 119.9 | 130.9 | -92.7 | -48.3 | 0 | 0 | 0 | 122.8 | ||||
| 8 | Q | 30.6 | Very low | 31.1 | Very low | 176 Ų | 176 | 170.6 Ų | 170.6 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -160 | 115.6 | 133.6 | -137.9 | 123.9 | 32.2 | 0 | 0 | 114.1 | ||||
| 9 | T | 31.6 | Very low | 31.7 | Very low | 118 Ų | 118 | 167.8 Ų | 167.8 | 72% | 0.724 | 82% | 0.822 | S | S | * | * | trans | -51.4 | 140.8 | 151.7 | 30.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 10 | F | 30 | Very low | 31.5 | Very low | 201 Ų | 201 | 171 Ų | 171 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -154.7 | 146.5 | 148.3 | -114.5 | -81.9 | 0 | 0 | 0 | 114 | ||||
| 11 | V | 30.4 | Very low | 31.3 | Very low | 132 Ų | 132 | 174.9 Ų | 174.9 | 80% | 0.8 | 83% | 0.83 | S | S | * | * | trans | -93.4 | 153.8 | -164.4 | 172.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | C | 29.2 | Very low | 31.3 | Very low | 121 Ų | 121 | 175 Ų | 175 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -52.2 | 152 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 13 | R | 29.9 | Very low | 31.1 | Very low | 238 Ų | 238 | 177 Ų | 177 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -156.1 | 146.6 | 142.3 | -138.4 | 169.2 | 179.5 | 168.3 | -0.9 | 114.5 | ||||
| 14 | D | 30.8 | Very low | 30.7 | Very low | 126 Ų | 126 | 173.5 Ų | 173.5 | 67% | 0.674 | 82% | 0.818 | S | S | * | * | trans | -51.6 | 158.7 | -170.6 | -64.1 | -93 | 0 | 0 | 0 | 120.9 | ||||
| 15 | F | 26.7 | Very low | 30.9 | Very low | 213 Ų | 213 | 171 Ų | 171 | 93% | 0.934 | 82% | 0.819 | S | S | * | * | trans | -152.5 | 134.3 | 132.2 | -128.3 | -92.4 | 0 | 0 | 0 | 113.2 | ||||
| 16 | I | 34.5 | Very low | 30.8 | Very low | 134 Ų | 134 | 169.2 Ų | 169.2 | 69% | 0.687 | 82% | 0.818 | S | S | * | * | trans | -101 | 138.4 | -176.2 | -62.9 | 175.1 | 0 | 0 | 0 | 110.6 | ||||
| 17 | K | 30 | Very low | 31 | Very low | 206 Ų | 206 | 175.3 Ų | 175.3 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | 168 | 135.1 | 125.4 | -94.6 | -176.9 | 179.4 | 174.2 | 0 | 114.3 | |||||
| 18 | Y | 28.2 | Very low | 31 | Very low | 216 Ų | 216 | 179.4 Ų | 179.4 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -78.9 | 172.7 | 173.9 | -96.9 | -81 | 0 | 0 | 0 | 112.6 | ||||
| 19 | P | 42.6 | Very low | 31.1 | Very low | 118 Ų | 118 | 178.6 Ų | 178.6 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | cis | -148.6 | 158.2 | 41.6 | 37.3 | -13 | 0 | 0 | 0 | 121.9 | ||||
| 20 | R | 28.3 | Very low | 31.4 | Very low | 231 Ų | 231 | 180 Ų | 180 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | 29.4 | 126.6 | 149.1 | -68 | -174.3 | 175.3 | -175.1 | 0.5 | 122.4 | ||||
| 21 | R | 26.8 | Very low | 31.6 | Very low | 253 Ų | 253 | 177.8 Ų | 177.8 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | -151.1 | 141.3 | 118.6 | -92.7 | -171.9 | -167.5 | -166.7 | 3.1 | 111.2 | |||||
| 22 | R | 30.5 | Very low | 31.8 | Very low | 238 Ų | 238 | 175.6 Ų | 175.6 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -66.3 | 143.7 | -174.9 | -71 | 174.3 | 175.1 | 163.2 | -2.6 | 112.6 | ||||
| 23 | F | 27.7 | Very low | 32.1 | Very low | 196 Ų | 196 | 175.7 Ų | 175.7 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | -174.7 | 131.2 | 126.5 | -110.9 | -80.6 | 0 | 0 | 0 | 112.6 | |||||
| 24 | N | 27.1 | Very low | 32.3 | Very low | 144 Ų | 144 | 170.5 Ų | 170.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 55.8 | 86.9 | 158.8 | -88.2 | -12.8 | 0 | 0 | 0 | 122.4 | S26 | N24-S26 PolarHBondContact O-N 3.24Š| ||
| 25 | T | 36.5 | Very low | 32.5 | Very low | 142 Ų | 142 | 167.1 Ų | 167.1 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 100 | 152.9 | 12 | 0 | 0 | 0 | 0 | 111.1 | ||
| 26 | S | 34.5 | Very low | 33 | Very low | 108 Ų | 108 | 161 Ų | 161 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | -6 | 155 | -98.6 | 0 | 0 | 0 | 0 | 116 | N24 | N24-S26 PolarHBondContact O-N 3.24Š|
| 27 | R | 35.8 | Very low | 33.5 | Very low | 237 Ų | 237 | 163.9 Ų | 163.9 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -100.6 | -7.8 | 178.1 | -94.3 | -175.6 | 177.8 | -173.6 | -0.3 | 116.2 | ||
| 28 | R | 30.5 | Very low | 33.9 | Very low | 219 Ų | 219 | 159.5 Ų | 159.5 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -96.5 | -13.1 | -176.8 | -83.8 | -172.2 | 178.1 | -169.1 | -0.2 | 116 | T32 | R28-T32 PolarHBondContact O-OG1 3.49Š|
| 29 | Q | 30.9 | Very low | 34.3 | Very low | 159 Ų | 159 | 153 Ų | 153 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -81 | -21.7 | 179.3 | -94 | 179 | -9 | 0 | 0 | 114.4 | ||
| 30 | L | 38.2 | Very low | 34 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -82.2 | -23 | 176.9 | -95.3 | 135.7 | 0 | 0 | 0 | 113.5 | ||
| 31 | Q | 35.2 | Very low | 34.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -85.5 | -24.7 | -179.7 | -137.7 | 165.6 | 7.3 | 0 | 0 | 112.5 | ||
| 32 | T | 34.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 53% | 0.534 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -79.4 | -34.9 | 175.2 | 8.3 | 0 | 0 | 0 | 0 | 112.4 | R28 M34 V36 | R28-T32 PolarHBondContact O-OG1 3.49Å; T32-M34 VanDerWaalsContact C-N 3.29Å; T32-M34 PolarHBondContact O-N 3.28Å; T32-V36 VanDerWaalsContact O-CG2 3.27Å; T32-V36 WeakPolarHBondContact O-CG2 3.46Å; T32-V36 PolarHBondContact O-N 3.01Å |
| 33 | N | 33.8 | Very low | 35.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.2 | -20.1 | 179.7 | -83.5 | -16.3 | 0 | 0 | 0 | 114.4 | ||
| 34 | M | 35.5 | Very low | 36 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 64% | 0.635 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -90.1 | -32.4 | 178.7 | -162.1 | 164.9 | 149.2 | 0 | 0 | 112.6 | T32 R37 L38 | T32-M34 VanDerWaalsContact C-N 3.29Å; T32-M34 PolarHBondContact O-N 3.28Å; M34-R37 PolarHBondContact O-N 3.38Å; M34-L38 PolarHBondContact O-N 3.39Å |
| 35 | A | 34.5 | Very low | 36.5 | Very low | 55 Ų | 55 | 124.9 Ų | 124.9 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.3 | -33.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R37 L38 C39 | A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 2.91Å; A35-L38 PolarHBondContact O-N 2.91Å; A35-C39 PolarHBondContact O-N 3.27Å; A35-C39 VanDerWaalsContact O-N 3.14Å; A35-C39 PolarHBondContact O-SG 3.46Å |
| 36 | V | 37.8 | Very low | 36.5 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.6 | -37.3 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | T32 C39 D40 | T32-V36 VanDerWaalsContact O-CG2 3.27Å; T32-V36 WeakPolarHBondContact O-CG2 3.46Å; T32-V36 PolarHBondContact O-N 3.01Å; V36-C39 PolarHBondContact O-N 3.14Å; V36-D40 PolarHBondContact O-N 3.4Å; V36-D40 VanDerWaalsContact O-N 3.08Å |
| 37 | R | 44.6 | Very low | 36.7 | Very low | 195 Ų | 195 | 128 Ų | 128 | 74% | 0.736 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.2 | -27.3 | 178.9 | -71.9 | -85.1 | 179.2 | 157.8 | -5.1 | 114.1 | M34 A35 | M34-R37 PolarHBondContact O-N 3.38Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 2.91Å |
| 38 | L | 37.4 | Very low | 36.4 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 59% | 0.592 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.4 | -30.9 | 173.2 | -87.4 | 154.8 | 0 | 0 | 0 | 112.1 | M34 A35 A42 | M34-L38 PolarHBondContact O-N 3.39Å; A35-L38 PolarHBondContact O-N 2.91Å; L38-A42 PolarHBondContact O-N 3.34Å |
| 39 | C | 36.5 | Very low | 36.3 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.5 | -28.3 | 173 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | A35 V36 A42 S43 | A35-C39 PolarHBondContact O-N 3.27Å; A35-C39 VanDerWaalsContact O-N 3.14Å; A35-C39 PolarHBondContact O-SG 3.46Å; V36-C39 PolarHBondContact O-N 3.14Å; C39-A42 PolarHBondContact O-N 3.08Å; C39-S43 WeakPolarHBondContact O-CB 3.38Å; C39-S43 PolarHBondContact O-N 3.38Å; C39-S43 PolarHBondContact O-OG 3.46Å |
| 40 | D | 36.7 | Very low | 36.2 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 47% | 0.465 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.1 | -39.2 | 174.7 | -106.7 | -68.4 | 0 | 0 | 0 | 112.2 | V36 S43 L44 | V36-D40 PolarHBondContact O-N 3.4Å; V36-D40 VanDerWaalsContact O-N 3.08Å; D40-S43 PolarHBondContact O-N 3.14Å; D40-L44 WeakPolarHBondContact O-CB 3.4Å; D40-L44 PolarHBondContact O-N 2.85Å |
| 41 | V | 43.8 | Very low | 35.7 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.8 | -35.9 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | S43 L45 | V41-S43 VanDerWaalsContact C-N 3.33Å; V41-L45 PolarHBondContact O-N 2.78Å |
| 42 | A | 35.5 | Very low | 35.5 | Very low | 52 Ų | 52 | 115.6 Ų | 115.6 | 43% | 0.43 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73.3 | -21.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L38 C39 | L38-A42 PolarHBondContact O-N 3.34Å; C39-A42 PolarHBondContact O-N 3.08Å |
| 43 | S | 36.7 | Very low | 35.2 | Very low | 70 Ų | 70 | 120 Ų | 120 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -89.2 | -31.4 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | C39 D40 V41 L45 R46 | C39-S43 WeakPolarHBondContact O-CB 3.38Å; C39-S43 PolarHBondContact O-N 3.38Å; C39-S43 PolarHBondContact O-OG 3.46Å; D40-S43 PolarHBondContact O-N 3.14Å; V41-S43 VanDerWaalsContact C-N 3.33Å; S43-L45 PolarHBondContact O-N 3.24Å; S43-R46 PolarHBondContact O-N 3.48Å; S43-R46 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 38.8 | Very low | 35 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 71% | 0.707 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.7 | -20.1 | 171.9 | -87.4 | 158.1 | 0 | 0 | 0 | 113.5 | D40 | D40-L44 WeakPolarHBondContact O-CB 3.4Å; D40-L44 PolarHBondContact O-N 2.85Å |
| 45 | L | 39 | Very low | 34.5 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 80% | 0.796 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -2.2 | 171.9 | -77.4 | 166.4 | 0 | 0 | 0 | 113.8 | V41 S43 | V41-L45 PolarHBondContact O-N 2.78Å; S43-L45 PolarHBondContact O-N 3.24Å |
| 46 | R | 35.8 | Very low | 34.2 | Very low | 218 Ų | 218 | 128.5 Ų | 128.5 | 82% | 0.823 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -123.5 | 6.6 | -174.4 | -143.6 | -179.3 | -66.6 | -104.3 | 0.5 | 115.3 | S43 | S43-R46 PolarHBondContact O-N 3.48Å; S43-R46 VanDerWaalsContact O-N 3.14Å |
| 47 | S | 39.3 | Very low | 33.7 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -144.7 | 108.5 | 170.5 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 48 | G | 28.2 | Very low | 32.8 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | 166.5 | 60.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W50 | G48-W50 PolarHBondContact O-N 2.93Š| ||
| 49 | S | 30 | Very low | 32.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | trans | -66.3 | 110.4 | 166.9 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 50 | W | 27.6 | Very low | 31.8 | Very low | 251 Ų | 251 | 131.9 Ų | 131.9 | 95% | 0.951 | 73% | 0.734 | S | S | * | * | trans | -128.2 | 112.8 | 158.8 | -84.9 | -22.5 | 0 | 0 | 0 | 109.3 | G48 | G48-W50 PolarHBondContact O-N 2.93Š| ||
| 51 | A | 28.2 | Very low | 31.3 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -62.9 | 149.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | E53 | A51-E53 PolarHBondContact O-N 3.31Š| ||
| 52 | P | 31.1 | Very low | 30.4 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | trans | -79.6 | 118.4 | 173.5 | 31.2 | -29.2 | 0 | 0 | 0 | 109.2 | ||||
| 53 | E | 29 | Very low | 30 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -104.1 | 138.1 | 160.9 | -80.8 | -151.3 | 112 | 0 | 0 | 111.2 | A51 | A51-E53 PolarHBondContact O-N 3.31Š| ||
| 54 | P | 29.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | trans | -86.3 | 135.7 | -173.5 | 33.8 | -32.2 | 0 | 0 | 0 | 111.3 | T56 | P54-T56 PolarHBondContact O-N 2.98Š| ||
| 55 | W | 25.1 | Very low | 28.8 | Very low | 263 Ų | 263 | 142.8 Ų | 142.8 | 100% | 0.996 | 79% | 0.79 | S | S | * | * | trans | -78.8 | 105.7 | 160.8 | -77.9 | 69.1 | 0 | 0 | 0 | 108.5 | ||||
| 56 | T | 26.8 | Very low | 28.1 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -111.2 | 147.3 | 163 | 47 | 0 | 0 | 0 | 0 | 108.7 | P54 | P54-T56 PolarHBondContact O-N 2.98Š| ||
| 57 | G | 27.3 | Very low | 27.5 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | 115.7 | 132.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 58 | Q | 25.7 | Very low | 26.8 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | cis | -168.8 | 151.4 | -6.4 | -143.8 | 143.3 | -11.5 | 0 | 0 | 109 | ||||
| 59 | V | 25.3 | Very low | 26.7 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -76.8 | 141.4 | 171.6 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | I | 28.7 | Very low | 26.4 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -125.2 | 124.1 | 151.4 | -65.7 | -173.3 | 0 | 0 | 0 | 107.7 | ||||
| 61 | A | 25.7 | Very low | 27 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | trans | -109.9 | 146.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 62 | T | 25.4 | Very low | 26.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -150.9 | 103 | 155.9 | 41.6 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 63 | M | 27.1 | Very low | 26.7 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | 47.4 | 134 | 89.4 | -66.5 | 177.1 | 171.6 | 0 | 0 | 113.1 | |||||
| 64 | E | 25.3 | Very low | 26.6 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -173.9 | 163.6 | -6.2 | -116.2 | -172.1 | 114.8 | 0 | 0 | 106.5 | ||||
| 65 | T | 25.1 | Very low | 26.5 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 154.8 | 94.7 | 147.9 | -59.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 66 | Q | 23.9 | Very low | 26.6 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | 84.2 | 124.3 | 80.1 | -75.9 | -68.1 | -2.2 | 0 | 0 | 116.8 | |||||
| 67 | L | 24.1 | Very low | 26.7 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 84.7 | 114.8 | 151.6 | -60.2 | 166.8 | 0 | 0 | 0 | 122.5 | ||||
| 68 | S | 23.9 | Very low | 26.8 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | 133.6 | 129.1 | 106.3 | -158.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 69 | N | 26.5 | Very low | 26.8 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 72.9 | 126.2 | 148.4 | -62.5 | -10.5 | 0 | 0 | 0 | 122.8 | ||||
| 70 | G | 23 | Very low | 27.5 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -73 | -159.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 71 | P | 40.6 | Very low | 27.4 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -140.9 | 174.4 | 20.6 | 38.8 | -17.2 | 0 | 0 | 0 | 117.6 | ||||
| 72 | T | 26 | Very low | 27.5 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 35.9 | 132.7 | 141.2 | -162.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 73 | C | 26.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | -160.8 | 122.2 | 115.7 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 74 | N | 26.9 | Very low | 28 | Very low | 137 Ų | 137 | 124.2 Ų | 124.2 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -69.8 | 151.5 | 164.9 | -72.8 | -15.8 | 0 | 0 | 0 | 111 | ||||
| 75 | N | 27.3 | Very low | 28.3 | Very low | 167 Ų | 167 | 124.3 Ų | 124.3 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | -157 | 136.5 | 120.8 | -117 | -14.8 | 0 | 0 | 0 | 114.1 | |||||
| 76 | T | 26.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -87.4 | 148.4 | -174.2 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 77 | S | 29.8 | Very low | 29 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 173.7 | 110.9 | 125.9 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 78 | N | 28.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 122.1 Ų | 122.1 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | 61 | 125.1 | 127.8 | -63.6 | -8.8 | 0 | 0 | 0 | 122.9 | |||||
| 79 | G | 26 | Very low | 29.8 | Very low | 73 Ų | 73 | 122.2 Ų | 122.2 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -75.7 | -153.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 80 | P | 39.3 | Very low | 30.3 | Very low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | -144.8 | 155.6 | 51.3 | 31.3 | -7.6 | 0 | 0 | 0 | 119 | |||||
| 81 | S | 27.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | 60.8 | 118.3 | 129.2 | -46.3 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 82 | T | 28.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 67.8 | 122.1 | 125.1 | 59.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 83 | I | 31.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 127 Ų | 127 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -154.5 | 125.8 | 117.4 | -89.4 | 142.8 | 0 | 0 | 0 | 108.6 | |||||
| 84 | S | 30.3 | Very low | 31.8 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -57.4 | 139.2 | 165.9 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 85 | N | 32.2 | Very low | 32.6 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -152.4 | 114 | 141.9 | -94.6 | -24 | 0 | 0 | 0 | 110.7 | ||||
| 86 | N | 36.2 | Very low | 33.6 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -73.4 | 118.7 | 169.2 | -154.5 | 22.2 | 0 | 0 | 0 | 107.3 | ||||
| 87 | C | 28.8 | Very low | 34.8 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | -137.3 | 89.6 | 165.1 | 52 | 0 | 0 | 0 | 0 | 109.6 | S89 | C87-S89 PolarHBondContact O-N 3.32Š| ||
| 88 | S | 33.2 | Very low | 35.9 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -57 | 117.7 | 157.9 | -54.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 89 | S | 30.4 | Very low | 37.4 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -138.4 | 126.9 | 159.7 | -72.8 | 0 | 0 | 0 | 0 | 106.9 | C87 V91 | C87-S89 PolarHBondContact O-N 3.32Å; S89-V91 PolarHBondContact O-N 2.86Å | ||
| 90 | P | 38.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | trans | -69.6 | 108 | -178.7 | 28.1 | -29.9 | 0 | 0 | 0 | 107.7 | E92 | P90-E92 PolarHBondContact O-N 3.37Š| ||
| 91 | V | 32.3 | Very low | 42 | Very low | 131 Ų | 131 | 114.4 Ų | 114.4 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | trans | -68.9 | 93.7 | 162.1 | -92.2 | 0 | 0 | 0 | 0 | 107 | S89 S93 | S89-V91 PolarHBondContact O-N 2.86Å; V91-S93 VanDerWaalsContact C-N 3.28Å; V91-S93 PolarHBondContact O-N 3.33Å; V91-S93 PolarHBondContact O-OG 3.14Å; V91-S93 VanDerWaalsContact O-OG 3.11Å | ||
| 92 | E | 37.6 | Very low | 45 | Very low | 188 Ų | 188 | 112.2 Ų | 112.2 | 88% | 0.879 | 66% | 0.662 | S | S | * | * | trans | -48 | 92.6 | 166.9 | -168.2 | 168.8 | 103.8 | 0 | 0 | 109 | P90 G94 | P90-E92 PolarHBondContact O-N 3.37Å; E92-G94 PolarHBondContact O-N 3.19Å | ||
| 93 | S | 35.1 | Very low | 48 | Very low | 119 Ų | 119 | 106.2 Ų | 106.2 | 83% | 0.832 | 63% | 0.626 | S | S | * | * | trans | -80.7 | 61.4 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 108.4 | V91 | V91-S93 VanDerWaalsContact C-N 3.28Å; V91-S93 PolarHBondContact O-N 3.33Å; V91-S93 PolarHBondContact O-OG 3.14Å; V91-S93 VanDerWaalsContact O-OG 3.11Å | ||
| 94 | G | 41.5 | Very low | 50.8 | Low | 52 Ų | 52 | 100.3 Ų | 100.3 | 54% | 0.536 | 60% | 0.595 | S | S | . | * | trans | -88.7 | 137.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E92 | E92-G94 PolarHBondContact O-N 3.19Š| ||
| 95 | S | 44.1 | Very low | 53.7 | Low | 98 Ų | 98 | 95.6 Ų | 95.6 | 69% | 0.685 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 90.6 | 47.5 | 162.6 | 77.4 | 0 | 0 | 0 | 0 | 120.9 | ||
| 96 | I | 49.5 | Very low | 56.5 | Low | 139 Ų | 139 | 90.6 Ų | 90.6 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -124.8 | -19.3 | 154.8 | -62 | -173 | 0 | 0 | 0 | 113.1 | ||
| 97 | E | 51.2 | Low | 58.9 | Low | 153 Ų | 153 | 89.7 Ų | 89.7 | 72% | 0.715 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -28.4 | -177.4 | -62.1 | -154.8 | 125.9 | 0 | 0 | 114.3 | S99 K100 | E97-S99 PolarHBondContact O-N 3.48Å; E97-K100 PolarHBondContact O-N 3.14Å |
| 98 | D | 53 | Low | 61.8 | Low | 109 Ų | 109 | 84.4 Ų | 84.4 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -16 | 176.8 | -58 | -71.4 | 0 | 0 | 0 | 113.6 | K100 T101 N102 | D98-K100 VanDerWaalsContact C-N 3.33Å; D98-T101 PolarHBondContact O-OG1 3.22Å; D98-N102 PolarHBondContact O-ND2 2.96Å |
| 99 | S | 59.9 | Low | 64.3 | Low | 50 Ų | 50 | 79.4 Ų | 79.4 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -81.8 | -10 | 177.6 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | E97 | E97-S99 PolarHBondContact O-N 3.48Å |
| 100 | K | 74.1 | Confident | 66.9 | Low | 109 Ų | 109 | 80.5 Ų | 80.5 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -96.5 | -17.3 | -179.3 | -66.7 | -179.2 | -176.8 | 173.9 | 0 | 113.6 | E97 D98 P152 A155 Y176 | E97-K100 PolarHBondContact O-N 3.14Å; D98-K100 VanDerWaalsContact C-N 3.33Å; K100-P152 HydrophobicContact CB-CB 4.03Å; K100-A155 WeakPolarHBondContact O-CB 3.41Å; K100-Y176 HydrophobicContact CB-CE1 4.35Å; K100-Y176 WeakPolarHBondContact O-CE1 3.37Å |
| 101 | T | 87.1 | Confident | 69.1 | Low | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.104 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -87.3 | -29.4 | 177.8 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | D98 N148 Y149 P152 | D98-T101 PolarHBondContact O-OG1 3.22Å; T101-N148 VanDerWaalsContact CB-OD1 3.25Å; T101-N148 WeakPolarHBondContact CB-OD1 3.27Å; T101-N148 PolarHBondContact O-OD1 3.44Å; T101-N148 PolarHBondContact OG1-OD1 2.78Å; T101-Y149 WeakPolarHBondContact CB-O 3.47Å; T101-Y149 PolarHBondContact O-N 3.27Å; T101-P152 HydrophobicContact CG2-CB 3.83Å; T101-P152 HydrophobicContact CG2-CG 4.34Å |
| 102 | N | 90.7 | Very high | 71.7 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.1 | -178.1 | -74.3 | -76.3 | 0 | 0 | 0 | 111.4 | D98 N148 Y176 A177 | D98-N102 PolarHBondContact O-ND2 2.96Å; N102-N148 WeakPolarHBondContact CA-OD1 3.3Å; N102-N148 PolarHBondContact N-OD1 3.3Å; N102-N148 PolarHBondContact ND2-OD1 2.96Å; N102-N148 WeakPolarHBondContact OD1-CB 3.31Å; N102-N148 PolarHBondContact OD1-OD1 3.15Å; N102-Y176 CarbonylContact O-C 3.46Å; N102-A177 HydrophobicContact CB-CB 3.96Å; N102-A177 PolarHBondContact O-N 2.95Å |
| 103 | L | 91.3 | Very high | 74.2 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 144.4 | 177.7 | -56.5 | -171 | 0 | 0 | 0 | 111.5 | F121 F146 V147 Y149 A155 A158 I159 V174 S175 Y176 A177 | L103-F121 HydrophobicContact CD1-CE1 4.45Å; L103-F146 CarbonylContact O-C 3.57Å; L103-F146 VanDerWaalsContact O-CA 3.29Å; L103-F146 WeakPolarHBondContact O-CA 3.21Å; L103-V147 WeakPolarHBondContact CA-O 3.37Å; L103-V147 WeakPolarHBondContact CB-O 3.46Å; L103-V147 PolarHBondContact N-O 3.29Å; L103-V147 PolarHBondContact O-N 3.26Å; L103-Y149 HydrophobicContact CD1-CD2 4Å; L103-Y149 HydrophobicContact CD1-CE2 3.64Å; L103-Y149 HydrophobicContact CG-CD2 4.33Å; L103-Y149 HydrophobicContact CG-CE2 4.41Å; L103-A155 HydrophobicContact CD1-CB 4.26Å; L103-A155 HydrophobicContact CD2-CB 4.03Å; L103-A155 HydrophobicContact CG-CB 4.13Å; L103-A158 HydrophobicContact CD1-CB 3.93Å; L103-I159 HydrophobicContact CD1-CG1 4.1Å; L103-I159 HydrophobicContact CD2-CD1 3.48Å; L103-I159 VanDerWaalsContact CD2-CD1 3.48Å; L103-I159 HydrophobicContact CD2-CG1 3.72Å; L103-V174 HydrophobicContact CB-CG1 4.42Å; L103-V174 HydrophobicContact CD1-CG1 3.93Å; L103-S175 WeakPolarHBondContact CA-O 3.11Å; L103-Y176 HydrophobicContact CD2-CD1 3.72Å; L103-Y176 HydrophobicContact CD2-CE1 4.07Å; L103-Y176 HydrophobicContact CD2-CG 4.44Å; L103-A177 VanDerWaalsContact C-CB 3.46Å |
| 104 | I | 91.1 | Very high | 76.7 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 16% | 0.164 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.7 | 168.1 | -172.2 | 173.2 | 0 | 0 | 0 | 109.1 | Y144 F146 S175 A177 | I104-Y144 HydrophobicContact CD1-CD2 4.47Å; I104-F146 HydrophobicContact CB-CD1 4.08Å; I104-F146 HydrophobicContact CB-CE1 3.98Å; I104-F146 HydrophobicContact CD1-CE1 3.71Å; I104-F146 HydrophobicContact CD1-CZ 3.95Å; I104-F146 HydrophobicContact CG1-CD1 4.15Å; I104-F146 HydrophobicContact CG1-CE1 3.81Å; I104-F146 HydrophobicContact CG1-CZ 4.33Å; I104-S175 WeakPolarHBondContact CG2-O 3.43Å; I104-S175 VanDerWaalsContact CG2-OG 3.3Å; I104-S175 WeakPolarHBondContact CG2-OG 3.29Å; I104-S175 PolarHBondContact N-O 2.77Å; I104-S175 PolarHBondContact O-N 2.84Å; I104-A177 HydrophobicContact CB-CB 4Å; I104-A177 HydrophobicContact CG2-CB 4.44Å |
| 105 | V | 91.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110.4 | 178.5 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | L108 L117 F121 Y144 G145 V147 I172 K173 V174 | V105-L108 HydrophobicContact CB-CD1 4.19Å; V105-L108 HydrophobicContact CB-CG 4.46Å; V105-L108 HydrophobicContact CG1-CD1 4.11Å; V105-L108 HydrophobicContact CG1-CD2 3.7Å; V105-L108 HydrophobicContact CG1-CG 3.89Å; V105-L117 HydrophobicContact CG1-CD1 4.42Å; V105-L117 HydrophobicContact CG2-CD1 4.45Å; V105-F121 HydrophobicContact CB-CZ 4.33Å; V105-F121 HydrophobicContact CG1-CE2 4.29Å; V105-F121 HydrophobicContact CG1-CZ 4.04Å; V105-F121 HydrophobicContact CG2-CE1 3.85Å; V105-F121 HydrophobicContact CG2-CE2 3.85Å; V105-F121 HydrophobicContact CG2-CZ 3.31Å; V105-Y144 CarbonylContact O-C 3.52Å; V105-Y144 WeakPolarHBondContact O-CA 3.28Å; V105-Y144 WeakPolarHBondContact O-CB 3.36Å; V105-G145 PolarHBondContact N-O 3.45Å; V105-G145 PolarHBondContact O-N 2.73Å; V105-V147 HydrophobicContact CG2-CG2 4.21Å; V105-I172 HydrophobicContact CG1-CB 4.27Å; V105-I172 HydrophobicContact CG1-CD1 4.31Å; V105-K173 WeakPolarHBondContact CA-O 3.33Å; V105-V174 HydrophobicContact CG1-CG2 4.26Å; V105-V174 HydrophobicContact CG2-CG1 4.49Å; V105-V174 HydrophobicContact CG2-CG2 4.5Å |
| 106 | N | 89.8 | Confident | 81.3 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 158.6 | 178.2 | -75.4 | -55 | 0 | 0 | 0 | 111.3 | I172 K173 | N106-I172 WeakPolarHBondContact O-CA 3.16Å; N106-K173 HydrophobicContact CB-CB 4.37Å; N106-K173 PolarHBondContact N-O 3.39Å; N106-K173 PolarHBondContact O-N 2.94Å |
| 107 | Y | 87.9 | Confident | 83.3 | Confident | 138 Ų | 138 | 59.9 Ų | 59.9 | 54% | 0.541 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 65.9 | 32.4 | 177.8 | -50.8 | -75.2 | 0 | 0 | 0 | 114.6 | G143 K170 T171 K173 | Y107-G143 PolarHBondContact N-O 3.45Å; Y107-K170 VanDerWaalsContact O-CB 3.28Å; Y107-K170 WeakPolarHBondContact O-CB 3.29Å; Y107-K170 VanDerWaalsContact O-CD 3.29Å; Y107-K170 WeakPolarHBondContact O-CD 3.28Å; Y107-T171 WeakPolarHBondContact CB-O 3.38Å; Y107-K173 HydrophobicContact CD2-CB 3.85Å; Y107-K173 HydrophobicContact CE2-CB 4.15Å; Y107-K173 HydrophobicContact CE2-CD 4.43Å |
| 108 | L | 89 | Confident | 85.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -66.1 | 143.6 | 170.8 | -66.7 | 167.5 | 0 | 0 | 0 | 110.8 | V105 M112 L117 L132 G143 L167 K170 I172 | V105-L108 HydrophobicContact CB-CD1 4.19Å; V105-L108 HydrophobicContact CB-CG 4.46Å; V105-L108 HydrophobicContact CG1-CD1 4.11Å; V105-L108 HydrophobicContact CG1-CD2 3.7Å; V105-L108 HydrophobicContact CG1-CG 3.89Å; L108-M112 HydrophobicContact CD2-CE 4.35Å; L108-M112 HydrophobicContact CD2-SD 3.64Å; L108-L117 HydrophobicContact CD1-CD1 4Å; L108-L117 HydrophobicContact CD1-CD2 4.24Å; L108-L117 HydrophobicContact CD2-CD1 3.9Å; L108-L132 HydrophobicContact CD1-CD1 3.7Å; L108-G143 PolarHBondContact N-O 2.8Å; L108-G143 WeakPolarHBondContact O-CA 3.42Å; L108-L167 HydrophobicContact CD2-CD1 4.44Å; L108-K170 PolarHBondContact O-NZ 3.49Å; L108-K170 VanDerWaalsContact O-NZ 3.09Å; L108-I172 HydrophobicContact CD2-CG2 3.85Å | ||
| 109 | P | 85.9 | Confident | 87.1 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | trans | -71.2 | 147.5 | 174.1 | 26.8 | -25.3 | 0 | 0 | 0 | 110.3 | N111 M112 L167 | P109-N111 VanDerWaalsContact C-N 3.27Å; P109-N111 WeakPolarHBondContact CB-OD1 3.47Å; P109-N111 PolarHBondContact O-N 3.39Å; P109-M112 HydrophobicContact CG-CB 4.02Å; P109-M112 HydrophobicContact CG-SD 4.21Å; P109-M112 VanDerWaalsContact O-CB 3.26Å; P109-M112 WeakPolarHBondContact O-CB 3.49Å; P109-M112 PolarHBondContact O-N 3.43Å; P109-M112 VanDerWaalsContact O-N 3.1Å; P109-L167 HydrophobicContact CG-CB 4.19Å | ||
| 110 | Q | 84.3 | Confident | 88.5 | Confident | 120 Ų | 120 | 56.9 Ų | 56.9 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -27.9 | -170.7 | -81.7 | -175.8 | -0.5 | 0 | 0 | 113.4 | M112 S141 | Q110-M112 PolarHBondContact O-N 3.3Å; Q110-S141 PolarHBondContact O-OG 2.77Å |
| 111 | N | 85.2 | Confident | 89.3 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.9 | 175.8 | 58.9 | -5.6 | 0 | 0 | 0 | 113.3 | P109 Q168 | P109-N111 VanDerWaalsContact C-N 3.27Å; P109-N111 WeakPolarHBondContact CB-OD1 3.47Å; P109-N111 PolarHBondContact O-N 3.39Å; N111-Q168 VanDerWaalsContact ND2-CD 3.34Å; N111-Q168 PolarHBondContact ND2-NE2 3.49Å; N111-Q168 PolarHBondContact ND2-OE1 2.92Å; N111-Q168 PolarHBondContact OD1-NE2 3.28Å; N111-Q168 PolarHBondContact OD1-OE1 3.31Å; N111-Q168 VanDerWaalsContact OD1-OE1 3.08Å |
| 112 | M | 86.1 | Confident | 89.5 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | trans | -70.9 | 135.5 | -178.1 | -164.3 | 158.9 | 177.5 | 0 | 0 | 111.2 | L108 P109 Q110 E116 L117 L120 L132 L167 | L108-M112 HydrophobicContact CD2-CE 4.35Å; L108-M112 HydrophobicContact CD2-SD 3.64Å; P109-M112 HydrophobicContact CG-CB 4.02Å; P109-M112 HydrophobicContact CG-SD 4.21Å; P109-M112 VanDerWaalsContact O-CB 3.26Å; P109-M112 WeakPolarHBondContact O-CB 3.49Å; P109-M112 PolarHBondContact O-N 3.43Å; P109-M112 VanDerWaalsContact O-N 3.1Å; Q110-M112 PolarHBondContact O-N 3.3Å; M112-E116 VanDerWaalsContact CA-OE2 3.3Å; M112-E116 WeakPolarHBondContact CA-OE2 3.47Å; M112-E116 HydrophobicContact CE-CB 4.13Å; M112-E116 HydrophobicContact CG-CB 4.16Å; M112-E116 WeakPolarHBondContact CG-OE2 3.24Å; M112-L117 HydrophobicContact CE-CB 4.21Å; M112-L117 HydrophobicContact CE-CD1 4.25Å; M112-L120 HydrophobicContact CE-CD1 3.26Å; M112-L132 VanDerWaalsContact O-CD2 3.27Å; M112-L132 WeakPolarHBondContact O-CD2 3.33Å; M112-L167 HydrophobicContact CE-CD1 3.9Å; M112-L167 HydrophobicContact SD-CD1 3.58Å; M112-L167 VanDerWaalsContact SD-CD1 3.58Å | ||
| 113 | T | 89.9 | Confident | 89.5 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | trans | -97.2 | 166.5 | 179.3 | 82.9 | 0 | 0 | 0 | 0 | 112.4 | E115 E116 L117 | T113-E115 VanDerWaalsContact C-N 3.28Å; T113-E115 WeakPolarHBondContact CB-OE2 2.89Å; T113-E115 PolarHBondContact OG1-N 2.83Å; T113-E115 PolarHBondContact OG1-OE2 3.33Å; T113-E116 PolarHBondContact N-OE2 3.11Å; T113-E116 WeakPolarHBondContact OG1-CG 3.19Å; T113-E116 PolarHBondContact OG1-N 3.27Å; T113-L117 PolarHBondContact O-N 2.81Å; T113-L117 VanDerWaalsContact O-N 3.11Å | ||
| 114 | Q | 88.8 | Confident | 89.5 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 178.1 | -177.5 | 171.3 | -68.1 | 0 | 0 | 110.9 | L117 K118 C130 L132 | Q114-L117 PolarHBondContact O-N 3.05Å; Q114-K118 WeakPolarHBondContact O-CB 3.47Å; Q114-K118 PolarHBondContact O-N 3.06Å; Q114-C130 PolarHBondContact NE2-O 3.4Å; Q114-L132 HydrophobicContact CB-CB 3.94Å; Q114-L132 HydrophobicContact CG-CB 4.27Å; Q114-L132 VanDerWaalsContact OE1-N 3.1Å |
| 115 | E | 90.6 | Very high | 89.4 | Confident | 122 Ų | 122 | 56.4 Ų | 56.4 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.9 | -40.8 | 179 | -54.9 | 71.6 | -149.9 | 0 | 0 | 110.9 | T113 K118 S119 | T113-E115 VanDerWaalsContact C-N 3.28Å; T113-E115 WeakPolarHBondContact CB-OE2 2.89Å; T113-E115 PolarHBondContact OG1-N 2.83Å; T113-E115 PolarHBondContact OG1-OE2 3.33Å; E115-K118 PolarHBondContact O-N 3.06Å; E115-S119 PolarHBondContact O-N 3.17Å |
| 116 | E | 90.6 | Very high | 89.5 | Confident | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 173.5 | -69.8 | 176.4 | 153.9 | 0 | 0 | 111.4 | M112 T113 K118 S119 L120 | M112-E116 VanDerWaalsContact CA-OE2 3.3Å; M112-E116 WeakPolarHBondContact CA-OE2 3.47Å; M112-E116 HydrophobicContact CE-CB 4.13Å; M112-E116 HydrophobicContact CG-CB 4.16Å; M112-E116 WeakPolarHBondContact CG-OE2 3.24Å; T113-E116 PolarHBondContact N-OE2 3.11Å; T113-E116 WeakPolarHBondContact OG1-CG 3.19Å; T113-E116 PolarHBondContact OG1-N 3.27Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.48Å; E116-S119 PolarHBondContact O-N 3.34Å; E116-L120 WeakPolarHBondContact O-CB 3.17Å; E116-L120 PolarHBondContact O-N 2.91Å |
| 117 | L | 91.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 174.8 | -175.1 | 70.7 | 0 | 0 | 0 | 110.9 | V105 L108 M112 T113 Q114 L120 F121 L132 V147 | V105-L117 HydrophobicContact CG1-CD1 4.42Å; V105-L117 HydrophobicContact CG2-CD1 4.45Å; L108-L117 HydrophobicContact CD1-CD1 4Å; L108-L117 HydrophobicContact CD1-CD2 4.24Å; L108-L117 HydrophobicContact CD2-CD1 3.9Å; M112-L117 HydrophobicContact CE-CB 4.21Å; M112-L117 HydrophobicContact CE-CD1 4.25Å; T113-L117 PolarHBondContact O-N 2.81Å; T113-L117 VanDerWaalsContact O-N 3.11Å; Q114-L117 PolarHBondContact O-N 3.05Å; L117-L120 PolarHBondContact O-N 3.09Å; L117-F121 HydrophobicContact CD1-CD2 3.73Å; L117-F121 HydrophobicContact CD1-CE2 3.52Å; L117-F121 HydrophobicContact CG-CD2 4.25Å; L117-F121 HydrophobicContact CG-CE2 4.47Å; L117-F121 WeakPolarHBondContact O-CD2 3.25Å; L117-F121 PolarHBondContact O-N 3.05Å; L117-F121 VanDerWaalsContact O-N 3.1Å; L117-L132 HydrophobicContact CD2-CD1 4.38Å; L117-V147 HydrophobicContact CD2-CG2 4.16Å; L117-V147 HydrophobicContact CG-CG2 4.27Å |
| 118 | K | 91.6 | Very high | 89.8 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 48% | 0.478 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 178.1 | -166.2 | -178.3 | -176.4 | 178 | 0 | 111.8 | Q114 E115 E116 G122 I127 C130 | Q114-K118 WeakPolarHBondContact O-CB 3.47Å; Q114-K118 PolarHBondContact O-N 3.06Å; E115-K118 PolarHBondContact O-N 3.06Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.48Å; K118-G122 WeakPolarHBondContact O-CA 3.36Å; K118-G122 PolarHBondContact O-N 3.05Å; K118-I127 HydrophobicContact CG-CD1 3.96Å; K118-I127 VanDerWaalsContact O-CD1 3.28Å; K118-I127 WeakPolarHBondContact O-CD1 3.49Å; K118-C130 HydrophobicContact CB-CB 4.46Å; K118-C130 HydrophobicContact CG-CB 4.45Å |
| 119 | S | 91.4 | Very high | 89.7 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 177.6 | -82.9 | 0 | 0 | 0 | 0 | 112.7 | E115 E116 G122 S123 | E115-S119 PolarHBondContact O-N 3.17Å; E116-S119 PolarHBondContact O-N 3.34Å; S119-G122 PolarHBondContact O-N 3.01Å; S119-S123 PolarHBondContact O-N 3.18Å; S119-S123 PolarHBondContact O-OG 3.46Å |
| 120 | L | 90.5 | Very high | 89.9 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 178.7 | -93.1 | 153.9 | 0 | 0 | 0 | 112 | M112 E116 L117 L167 | M112-L120 HydrophobicContact CE-CD1 3.26Å; E116-L120 WeakPolarHBondContact O-CB 3.17Å; E116-L120 PolarHBondContact O-N 2.91Å; L117-L120 PolarHBondContact O-N 3.09Å; L120-L167 HydrophobicContact CD1-CD1 4.4Å |
| 121 | F | 91.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -77.3 | -28.1 | -179.4 | -78.9 | -98.9 | 0 | 0 | 0 | 112.2 | L103 V105 L117 S123 I124 I127 V147 Y149 A158 L162 V174 | L103-F121 HydrophobicContact CD1-CE1 4.45Å; V105-F121 HydrophobicContact CB-CZ 4.33Å; V105-F121 HydrophobicContact CG1-CE2 4.29Å; V105-F121 HydrophobicContact CG1-CZ 4.04Å; V105-F121 HydrophobicContact CG2-CE1 3.85Å; V105-F121 HydrophobicContact CG2-CE2 3.85Å; V105-F121 HydrophobicContact CG2-CZ 3.31Å; L117-F121 HydrophobicContact CD1-CD2 3.73Å; L117-F121 HydrophobicContact CD1-CE2 3.52Å; L117-F121 HydrophobicContact CG-CD2 4.25Å; L117-F121 HydrophobicContact CG-CE2 4.47Å; L117-F121 WeakPolarHBondContact O-CD2 3.25Å; L117-F121 PolarHBondContact O-N 3.05Å; L117-F121 VanDerWaalsContact O-N 3.1Å; F121-S123 PolarHBondContact O-N 2.86Å; F121-I124 PolarHBondContact O-N 2.7Å; F121-I124 VanDerWaalsContact O-N 3.15Å; F121-I127 HydrophobicContact CB-CD1 3.62Å; F121-I127 HydrophobicContact CB-CG1 4.43Å; F121-V147 HydrophobicContact CB-CG1 4.03Å; F121-V147 HydrophobicContact CB-CG2 4.48Å; F121-V147 HydrophobicContact CD1-CB 4.39Å; F121-V147 HydrophobicContact CD1-CG1 4.19Å; F121-V147 HydrophobicContact CD1-CG2 4.21Å; F121-V147 HydrophobicContact CD2-CG2 4.33Å; F121-V147 HydrophobicContact CG-CG1 4.25Å; F121-V147 HydrophobicContact CG-CG2 4.07Å; F121-Y149 WeakPolarHBondContact CA-OH 3.29Å; F121-Y149 VanDerWaalsContact CB-OH 3.31Å; F121-Y149 WeakPolarHBondContact CB-OH 3.45Å; F121-Y149 HydrophobicContact CD1-CE2 4.16Å; F121-Y149 WeakPolarHBondContact CD1-OH 3.47Å; F121-Y149 PolarHBondContact O-OH 3.15Å; F121-A158 HydrophobicContact CD1-CB 4.3Å; F121-L162 HydrophobicContact CD1-CD1 3.65Å; F121-L162 HydrophobicContact CD2-CD1 4.16Å; F121-L162 HydrophobicContact CE1-CD1 3.62Å; F121-L162 HydrophobicContact CE2-CD1 4.14Å; F121-L162 HydrophobicContact CG-CD1 3.92Å; F121-L162 HydrophobicContact CZ-CB 4.44Å; F121-L162 HydrophobicContact CZ-CD1 3.86Å; F121-V174 HydrophobicContact CE1-CG1 3.94Å; F121-V174 HydrophobicContact CE1-CG2 4.17Å; F121-V174 HydrophobicContact CZ-CG1 4.31Å; F121-V174 HydrophobicContact CZ-CG2 3.78Å |
| 122 | G | 90.6 | Very high | 90.5 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.8 | -15.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K118 S119 I124 G125 | K118-G122 WeakPolarHBondContact O-CA 3.36Å; K118-G122 PolarHBondContact O-N 3.05Å; S119-G122 PolarHBondContact O-N 3.01Å; G122-I124 VanDerWaalsContact C-N 3.27Å; G122-G125 WeakPolarHBondContact CA-O 3.32Å |
| 123 | S | 90.8 | Very high | 90.5 | Very high | 99 Ų | 99 | 62.3 Ų | 62.3 | 69% | 0.692 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.7 | 172.5 | -58 | 0 | 0 | 0 | 0 | 112.8 | S119 F121 | S119-S123 PolarHBondContact O-N 3.18Å; S119-S123 PolarHBondContact O-OG 3.46Å; F121-S123 PolarHBondContact O-N 2.86Å |
| 124 | I | 91.4 | Very high | 90.4 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -38 | -179.8 | -57.8 | -62.8 | 0 | 0 | 0 | 111.9 | F121 G122 K157 A158 T161 L162 | F121-I124 PolarHBondContact O-N 2.7Å; F121-I124 VanDerWaalsContact O-N 3.15Å; G122-I124 VanDerWaalsContact C-N 3.27Å; I124-K157 HydrophobicContact CG2-CB 3.82Å; I124-A158 HydrophobicContact CB-CB 4.35Å; I124-A158 HydrophobicContact CG1-CB 4.43Å; I124-A158 HydrophobicContact CG2-CB 3.99Å; I124-T161 HydrophobicContact CD1-CG2 4.17Å; I124-L162 HydrophobicContact CG1-CD1 3.94Å; I124-L162 HydrophobicContact CG1-CG 4.29Å |
| 125 | G | 89.6 | Confident | 90.1 | Very high | 14 Ų | 14 | 64.7 Ų | 64.7 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -174.5 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G122 I127 | G122-G125 WeakPolarHBondContact CA-O 3.32Å; G125-I127 PolarHBondContact O-N 2.97Å |
| 126 | E | 92.3 | Very high | 89.5 | Confident | 138 Ų | 138 | 68.9 Ų | 68.9 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | trans | -76.1 | 122.7 | -176.6 | -167.7 | 171.6 | 178.5 | 0 | 0 | 111.6 | Y149 V150 | E126-Y149 VanDerWaalsContact O-CD1 3.31Å; E126-Y149 WeakPolarHBondContact O-CD1 3.44Å; E126-V150 HydrophobicContact CB-CB 4.48Å; E126-V150 HydrophobicContact CB-CG2 4.17Å; E126-V150 HydrophobicContact CG-CG2 3.9Å; E126-V150 PolarHBondContact O-N 3Å | ||
| 127 | I | 92.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.3 | -180 | -60.8 | 171.9 | 0 | 0 | 0 | 109 | K118 F121 G125 S129 C130 V147 N148 Y149 | K118-I127 HydrophobicContact CG-CD1 3.96Å; K118-I127 VanDerWaalsContact O-CD1 3.28Å; K118-I127 WeakPolarHBondContact O-CD1 3.49Å; F121-I127 HydrophobicContact CB-CD1 3.62Å; F121-I127 HydrophobicContact CB-CG1 4.43Å; G125-I127 PolarHBondContact O-N 2.97Å; I127-S129 VanDerWaalsContact CG2-C 3.49Å; I127-S129 WeakPolarHBondContact CG2-O 3.33Å; I127-C130 HydrophobicContact CG2-CB 4.1Å; I127-V147 HydrophobicContact CD1-CG1 4.05Å; I127-V147 HydrophobicContact CG1-CG1 4.02Å; I127-V147 HydrophobicContact CG2-CG1 3.96Å; I127-N148 WeakPolarHBondContact CG2-O 3.46Å; I127-Y149 HydrophobicContact CG1-CD1 4.38Å; I127-Y149 HydrophobicContact CG1-CE1 4.01Å |
| 128 | E | 90.9 | Very high | 88.3 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 61% | 0.607 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -46.5 | 170.8 | -168.8 | -166.7 | -158.8 | 0 | 0 | 110.7 | N148 V150 | E128-N148 PolarHBondContact N-O 3.18Å; E128-N148 PolarHBondContact OE2-ND2 3.23Å; E128-V150 HydrophobicContact CB-CG2 3.89Å |
| 129 | S | 88 | Confident | 87.6 | Confident | 67 Ų | 67 | 72.1 Ų | 72.1 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 137.1 | -178.4 | -173 | 0 | 0 | 0 | 0 | 112.1 | I127 V147 N148 | I127-S129 VanDerWaalsContact CG2-C 3.49Å; I127-S129 WeakPolarHBondContact CG2-O 3.33Å; S129-V147 CarbonylContact O-C 3.57Å; S129-V147 WeakPolarHBondContact O-CA 3.48Å; S129-N148 PolarHBondContact N-O 2.85Å; S129-N148 VanDerWaalsContact N-O 3.15Å; S129-N148 PolarHBondContact O-N 3.35Å |
| 130 | C | 90.3 | Very high | 87 | Confident | 15 Ų | 15 | 73.2 Ų | 73.2 | 10% | 0.101 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.5 | 169.9 | 63.5 | 0 | 0 | 0 | 0 | 109.5 | Q114 K118 I127 F146 | Q114-C130 PolarHBondContact NE2-O 3.4Å; K118-C130 HydrophobicContact CB-CB 4.46Å; K118-C130 HydrophobicContact CG-CB 4.45Å; I127-C130 HydrophobicContact CG2-CB 4.1Å; C130-F146 CarbonylContact C-O 3.46Å; C130-F146 WeakPolarHBondContact CA-O 3.39Å |
| 131 | K | 89.9 | Confident | 86.7 | Confident | 133 Ų | 133 | 71.1 Ų | 71.1 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 111.6 | 179.8 | -174.5 | 172.3 | -175.9 | 169.4 | 0 | 110.2 | G145 F146 | K131-G145 CarbonylContact O-C 3.51Å; K131-G145 VanDerWaalsContact O-CA 3.29Å; K131-G145 WeakPolarHBondContact O-CA 3.3Å; K131-F146 PolarHBondContact N-O 3.18Å; K131-F146 PolarHBondContact O-N 3.03Å |
| 132 | L | 90.6 | Very high | 86.4 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.058 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.3 | 170 | -174.8 | 65.6 | 0 | 0 | 0 | 109 | L108 M112 Q114 L117 R134 | L108-L132 HydrophobicContact CD1-CD1 3.7Å; M112-L132 VanDerWaalsContact O-CD2 3.27Å; M112-L132 WeakPolarHBondContact O-CD2 3.33Å; Q114-L132 HydrophobicContact CB-CB 3.94Å; Q114-L132 HydrophobicContact CG-CB 4.27Å; Q114-L132 VanDerWaalsContact OE1-N 3.1Å; L117-L132 HydrophobicContact CD2-CD1 4.38Å; L132-R134 PolarHBondContact O-N 2.78Å |
| 133 | V | 87.4 | Confident | 86.1 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.8 | -179.5 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | L142 Y144 F146 | V133-L142 HydrophobicContact CB-CD1 4.46Å; V133-L142 HydrophobicContact CG1-CD1 3.65Å; V133-L142 HydrophobicContact CG1-CG 4.44Å; V133-L142 PolarHBondContact O-N 2.96Å; V133-Y144 HydrophobicContact CB-CD2 4.13Å; V133-Y144 HydrophobicContact CB-CE1 4.41Å; V133-Y144 HydrophobicContact CB-CE2 3.71Å; V133-Y144 HydrophobicContact CG1-CE2 4.08Å; V133-Y144 HydrophobicContact CG2-CD2 3.83Å; V133-Y144 HydrophobicContact CG2-CE2 3.44Å; V133-Y144 VanDerWaalsContact CG2-CE2 3.44Å; V133-Y144 PolarHBondContact N-O 2.9Å; V133-F146 HydrophobicContact CG2-CD2 3.75Å; V133-F146 HydrophobicContact CG2-CE2 3.64Å |
| 134 | R | 87.1 | Confident | 86.1 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 42% | 0.415 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.5 | 175.2 | -61.2 | -176.8 | 173.3 | 169.9 | 2.1 | 109.6 | L132 K136 Q140 | L132-R134 PolarHBondContact O-N 2.78Å; R134-K136 PolarHBondContact O-N 3.46Å; R134-Q140 CarbonylContact C-O 3.53Å; R134-Q140 VanDerWaalsContact CA-O 3.28Å; R134-Q140 WeakPolarHBondContact CA-O 3.48Å |
| 135 | D | 83.2 | Confident | 86.1 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | trans | -59.7 | 128 | 170.2 | 179.2 | 11.3 | 0 | 0 | 0 | 108.9 | I137 T138 G139 Q140 L142 | D135-I137 PolarHBondContact O-N 3.1Å; D135-I137 PolarHBondContact OD1-N 3.4Å; D135-I137 VanDerWaalsContact OD1-N 3.12Å; D135-T138 WeakPolarHBondContact CB-OG1 3.36Å; D135-T138 WeakPolarHBondContact OD2-CB 3.45Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.31Å; D135-T138 PolarHBondContact OD2-N 3.35Å; D135-T138 PolarHBondContact OD2-OG1 2.93Å; D135-G139 WeakPolarHBondContact O-CA 3.31Å; D135-G139 PolarHBondContact O-N 2.88Å; D135-Q140 PolarHBondContact N-O 3.23Å; D135-L142 HydrophobicContact CB-CD2 3.98Å | ||
| 136 | K | 77.5 | Confident | 86.2 | Confident | 211 Ų | 211 | 73 Ų | 73 | 92% | 0.917 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.9 | -178 | -65.7 | -175.3 | 177.4 | -170.9 | 0 | 112.2 | R134 | R134-K136 PolarHBondContact O-N 3.46Š|
| 137 | I | 77.6 | Confident | 86.3 | Confident | 131 Ų | 131 | 66.5 Ų | 66.5 | 67% | 0.672 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -53.8 | -175.4 | -55.1 | 174.8 | 0 | 0 | 0 | 110.5 | D135 T272 | D135-I137 PolarHBondContact O-N 3.1Å; D135-I137 PolarHBondContact OD1-N 3.4Å; D135-I137 VanDerWaalsContact OD1-N 3.12Å; I137-T272 HydrophobicContact CD1-CG2 3.81Å |
| 138 | T | 79 | Confident | 86.2 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 52% | 0.515 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -12.1 | -175.6 | 63 | 0 | 0 | 0 | 0 | 113.6 | D135 Q140 | D135-T138 WeakPolarHBondContact CB-OG1 3.36Å; D135-T138 WeakPolarHBondContact OD2-CB 3.45Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.31Å; D135-T138 PolarHBondContact OD2-N 3.35Å; D135-T138 PolarHBondContact OD2-OG1 2.93Å; T138-Q140 PolarHBondContact O-N 3.43Å; T138-Q140 VanDerWaalsContact O-N 3.13Å; T138-Q140 PolarHBondContact OG1-N 2.97Å |
| 139 | G | 78.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | trans | 67.8 | 1.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D135 | D135-G139 WeakPolarHBondContact O-CA 3.31Å; D135-G139 PolarHBondContact O-N 2.88Å | ||
| 140 | Q | 78.6 | Confident | 86.5 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | trans | -75.2 | 141.9 | -178.2 | -66.7 | -169 | 2.4 | 0 | 0 | 111.4 | R134 D135 T138 L142 | R134-Q140 CarbonylContact C-O 3.53Å; R134-Q140 VanDerWaalsContact CA-O 3.28Å; R134-Q140 WeakPolarHBondContact CA-O 3.48Å; D135-Q140 PolarHBondContact N-O 3.23Å; T138-Q140 PolarHBondContact O-N 3.43Å; T138-Q140 VanDerWaalsContact O-N 3.13Å; T138-Q140 PolarHBondContact OG1-N 2.97Å; Q140-L142 PolarHBondContact O-N 3.05Å | ||
| 141 | S | 84.2 | Confident | 86.5 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126.9 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | Q110 G143 | Q110-S141 PolarHBondContact O-OG 2.77Å; S141-G143 PolarHBondContact O-N 2.84Å; S141-G143 VanDerWaalsContact O-N 3.11Å |
| 142 | L | 83.5 | Confident | 86.6 | Confident | 87 Ų | 87 | 60 Ų | 60 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 1.3 | 175.1 | -63.9 | -179.1 | 0 | 0 | 0 | 112.6 | V133 D135 Q140 Y144 | V133-L142 HydrophobicContact CB-CD1 4.46Å; V133-L142 HydrophobicContact CG1-CD1 3.65Å; V133-L142 HydrophobicContact CG1-CG 4.44Å; V133-L142 PolarHBondContact O-N 2.96Å; D135-L142 HydrophobicContact CB-CD2 3.98Å; Q140-L142 PolarHBondContact O-N 3.05Å; L142-Y144 VanDerWaalsContact C-N 3.3Å; L142-Y144 HydrophobicContact CB-CD1 3.72Å; L142-Y144 HydrophobicContact CB-CE1 3.42Å; L142-Y144 VanDerWaalsContact CB-CE1 3.42Å; L142-Y144 HydrophobicContact CD1-CE1 3.77Å; L142-Y144 HydrophobicContact CG-CE1 4.24Å; L142-Y144 PolarHBondContact O-N 2.82Å |
| 143 | G | 85.8 | Confident | 86.6 | Confident | 8 Ų | 8 | 67 Ų | 67 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | 19.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y107 L108 S141 | Y107-G143 PolarHBondContact N-O 3.45Å; L108-G143 PolarHBondContact N-O 2.8Å; L108-G143 WeakPolarHBondContact O-CA 3.42Å; S141-G143 PolarHBondContact O-N 2.84Å; S141-G143 VanDerWaalsContact O-N 3.11Å |
| 144 | Y | 89.9 | Confident | 86.9 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 29% | 0.286 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.6 | 169.2 | 69.3 | -85.6 | 0 | 0 | 0 | 111.7 | I104 V105 V133 L142 F146 | I104-Y144 HydrophobicContact CD1-CD2 4.47Å; V105-Y144 CarbonylContact O-C 3.52Å; V105-Y144 WeakPolarHBondContact O-CA 3.28Å; V105-Y144 WeakPolarHBondContact O-CB 3.36Å; V133-Y144 HydrophobicContact CB-CD2 4.13Å; V133-Y144 HydrophobicContact CB-CE1 4.41Å; V133-Y144 HydrophobicContact CB-CE2 3.71Å; V133-Y144 HydrophobicContact CG1-CE2 4.08Å; V133-Y144 HydrophobicContact CG2-CD2 3.83Å; V133-Y144 HydrophobicContact CG2-CE2 3.44Å; V133-Y144 VanDerWaalsContact CG2-CE2 3.44Å; V133-Y144 PolarHBondContact N-O 2.9Å; L142-Y144 VanDerWaalsContact C-N 3.3Å; L142-Y144 HydrophobicContact CB-CD1 3.72Å; L142-Y144 HydrophobicContact CB-CE1 3.42Å; L142-Y144 VanDerWaalsContact CB-CE1 3.42Å; L142-Y144 HydrophobicContact CD1-CE1 3.77Å; L142-Y144 HydrophobicContact CG-CE1 4.24Å; L142-Y144 PolarHBondContact O-N 2.82Å; Y144-F146 HydrophobicContact CD2-CE2 4.12Å; Y144-F146 HydrophobicContact CD2-CZ 4.39Å; Y144-F146 AromaticContact CE2-CE2 3.86Å; Y144-F146 HydrophobicContact CE2-CE2 3.86Å; Y144-F146 HydrophobicContact CE2-CZ 4.2Å |
| 145 | G | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 165.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | V105 K131 | V105-G145 PolarHBondContact N-O 3.45Å; V105-G145 PolarHBondContact O-N 2.73Å; K131-G145 CarbonylContact O-C 3.51Å; K131-G145 VanDerWaalsContact O-CA 3.29Å; K131-G145 WeakPolarHBondContact O-CA 3.3Å |
| 146 | F | 92.3 | Very high | 87.4 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.5 | 175.8 | -62.8 | -83.6 | 0 | 0 | 0 | 109.6 | L103 I104 C130 K131 V133 Y144 A177 | L103-F146 CarbonylContact O-C 3.57Å; L103-F146 VanDerWaalsContact O-CA 3.29Å; L103-F146 WeakPolarHBondContact O-CA 3.21Å; I104-F146 HydrophobicContact CB-CD1 4.08Å; I104-F146 HydrophobicContact CB-CE1 3.98Å; I104-F146 HydrophobicContact CD1-CE1 3.71Å; I104-F146 HydrophobicContact CD1-CZ 3.95Å; I104-F146 HydrophobicContact CG1-CD1 4.15Å; I104-F146 HydrophobicContact CG1-CE1 3.81Å; I104-F146 HydrophobicContact CG1-CZ 4.33Å; C130-F146 CarbonylContact C-O 3.46Å; C130-F146 WeakPolarHBondContact CA-O 3.39Å; K131-F146 PolarHBondContact N-O 3.18Å; K131-F146 PolarHBondContact O-N 3.03Å; V133-F146 HydrophobicContact CG2-CD2 3.75Å; V133-F146 HydrophobicContact CG2-CE2 3.64Å; Y144-F146 HydrophobicContact CD2-CE2 4.12Å; Y144-F146 HydrophobicContact CD2-CZ 4.39Å; Y144-F146 AromaticContact CE2-CE2 3.86Å; Y144-F146 HydrophobicContact CE2-CE2 3.86Å; Y144-F146 HydrophobicContact CE2-CZ 4.2Å; F146-A177 HydrophobicContact CD1-CB 3.91Å; F146-A177 HydrophobicContact CE1-CB 4.19Å |
| 147 | V | 93.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 120.2 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 107 | L103 V105 L117 F121 I127 S129 Y149 | L103-V147 WeakPolarHBondContact CA-O 3.37Å; L103-V147 WeakPolarHBondContact CB-O 3.46Å; L103-V147 PolarHBondContact N-O 3.29Å; L103-V147 PolarHBondContact O-N 3.26Å; V105-V147 HydrophobicContact CG2-CG2 4.21Å; L117-V147 HydrophobicContact CD2-CG2 4.16Å; L117-V147 HydrophobicContact CG-CG2 4.27Å; F121-V147 HydrophobicContact CB-CG1 4.03Å; F121-V147 HydrophobicContact CB-CG2 4.48Å; F121-V147 HydrophobicContact CD1-CB 4.39Å; F121-V147 HydrophobicContact CD1-CG1 4.19Å; F121-V147 HydrophobicContact CD1-CG2 4.21Å; F121-V147 HydrophobicContact CD2-CG2 4.33Å; F121-V147 HydrophobicContact CG-CG1 4.25Å; F121-V147 HydrophobicContact CG-CG2 4.07Å; I127-V147 HydrophobicContact CD1-CG1 4.05Å; I127-V147 HydrophobicContact CG1-CG1 4.02Å; I127-V147 HydrophobicContact CG2-CG1 3.96Å; S129-V147 CarbonylContact O-C 3.57Å; S129-V147 WeakPolarHBondContact O-CA 3.48Å; V147-Y149 HydrophobicContact CG1-CD2 4.22Å; V147-Y149 HydrophobicContact CG1-CE2 3.87Å |
| 148 | N | 92.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.4 | 171.8 | -160.7 | 24.2 | 0 | 0 | 0 | 109 | T101 N102 I127 E128 S129 | T101-N148 VanDerWaalsContact CB-OD1 3.25Å; T101-N148 WeakPolarHBondContact CB-OD1 3.27Å; T101-N148 PolarHBondContact O-OD1 3.44Å; T101-N148 PolarHBondContact OG1-OD1 2.78Å; N102-N148 WeakPolarHBondContact CA-OD1 3.3Å; N102-N148 PolarHBondContact N-OD1 3.3Å; N102-N148 PolarHBondContact ND2-OD1 2.96Å; N102-N148 WeakPolarHBondContact OD1-CB 3.31Å; N102-N148 PolarHBondContact OD1-OD1 3.15Å; I127-N148 WeakPolarHBondContact CG2-O 3.46Å; E128-N148 PolarHBondContact N-O 3.18Å; E128-N148 PolarHBondContact OE2-ND2 3.23Å; S129-N148 PolarHBondContact N-O 2.85Å; S129-N148 VanDerWaalsContact N-O 3.15Å; S129-N148 PolarHBondContact O-N 3.35Å |
| 149 | Y | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 153 | 172.7 | -78.8 | -87.4 | 0 | 0 | 0 | 110.8 | T101 L103 F121 E126 I127 V147 D151 D154 A155 A158 | T101-Y149 WeakPolarHBondContact CB-O 3.47Å; T101-Y149 PolarHBondContact O-N 3.27Å; L103-Y149 HydrophobicContact CD1-CD2 4Å; L103-Y149 HydrophobicContact CD1-CE2 3.64Å; L103-Y149 HydrophobicContact CG-CD2 4.33Å; L103-Y149 HydrophobicContact CG-CE2 4.41Å; F121-Y149 WeakPolarHBondContact CA-OH 3.29Å; F121-Y149 VanDerWaalsContact CB-OH 3.31Å; F121-Y149 WeakPolarHBondContact CB-OH 3.45Å; F121-Y149 HydrophobicContact CD1-CE2 4.16Å; F121-Y149 WeakPolarHBondContact CD1-OH 3.47Å; F121-Y149 PolarHBondContact O-OH 3.15Å; E126-Y149 VanDerWaalsContact O-CD1 3.31Å; E126-Y149 WeakPolarHBondContact O-CD1 3.44Å; I127-Y149 HydrophobicContact CG1-CD1 4.38Å; I127-Y149 HydrophobicContact CG1-CE1 4.01Å; V147-Y149 HydrophobicContact CG1-CD2 4.22Å; V147-Y149 HydrophobicContact CG1-CE2 3.87Å; Y149-D151 VanDerWaalsContact C-N 3.34Å; Y149-D151 WeakPolarHBondContact CB-O 3.37Å; Y149-D154 HydrophobicContact CD1-CB 3.88Å; Y149-D154 HydrophobicContact CE1-CB 4.29Å; Y149-D154 HydrophobicContact CG-CB 4.43Å; Y149-A155 HydrophobicContact CD2-CB 3.73Å; Y149-A155 HydrophobicContact CG-CB 4.15Å; Y149-A158 HydrophobicContact CE2-CB 3.73Å; Y149-A158 WeakPolarHBondContact OH-CB 3.3Å |
| 150 | V | 90.8 | Very high | 90.2 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -65.9 | -44.8 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | E126 E128 | E126-V150 HydrophobicContact CB-CB 4.48Å; E126-V150 HydrophobicContact CB-CG2 4.17Å; E126-V150 HydrophobicContact CG-CG2 3.9Å; E126-V150 PolarHBondContact O-N 3Å; E128-V150 HydrophobicContact CB-CG2 3.89Å |
| 151 | D | 91.2 | Very high | 90.7 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -104 | 131.3 | -178.3 | -76.6 | -54.8 | 0 | 0 | 0 | 113.2 | Y149 K153 D154 A155 | Y149-D151 VanDerWaalsContact C-N 3.34Å; Y149-D151 WeakPolarHBondContact CB-O 3.37Å; D151-K153 PolarHBondContact O-N 2.86Å; D151-D154 HydrophobicContact CB-CB 4.33Å; D151-D154 PolarHBondContact O-N 2.73Å; D151-A155 PolarHBondContact O-N 2.63Å |
| 152 | P | 90.7 | Very high | 91 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -26 | 177.2 | 25.6 | -33.2 | 0 | 0 | 0 | 112.6 | K100 T101 D154 A155 E156 | K100-P152 HydrophobicContact CB-CB 4.03Å; T101-P152 HydrophobicContact CG2-CB 3.83Å; T101-P152 HydrophobicContact CG2-CG 4.34Å; P152-D154 VanDerWaalsContact C-N 3.32Å; P152-A155 PolarHBondContact O-N 3.03Å; P152-E156 PolarHBondContact O-N 3.36Å; P152-E156 VanDerWaalsContact O-N 3.14Å |
| 153 | K | 91.4 | Very high | 91.4 | Very high | 156 Ų | 156 | 53 Ų | 53 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.8 | -37.3 | 176.3 | -65.3 | 179.2 | -178.5 | 175.2 | 0 | 111.5 | D151 K157 | D151-K153 PolarHBondContact O-N 2.86Å; K153-K157 WeakPolarHBondContact O-CG 3.35Å; K153-K157 PolarHBondContact O-N 3.42Å; K153-K157 VanDerWaalsContact O-N 3.14Å |
| 154 | D | 92.8 | Very high | 91.5 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.7 | -33.4 | 179.5 | -68.9 | -16.2 | 0 | 0 | 0 | 111.4 | Y149 D151 P152 E156 K157 A158 | Y149-D154 HydrophobicContact CD1-CB 3.88Å; Y149-D154 HydrophobicContact CE1-CB 4.29Å; Y149-D154 HydrophobicContact CG-CB 4.43Å; D151-D154 HydrophobicContact CB-CB 4.33Å; D151-D154 PolarHBondContact O-N 2.73Å; P152-D154 VanDerWaalsContact C-N 3.32Å; D154-E156 PolarHBondContact O-N 2.84Å; D154-K157 PolarHBondContact O-N 2.96Å; D154-K157 IonicContact OD1-NZ 3.27Å; D154-K157 PolarHBondContact OD1-NZ 2.95Å; D154-A158 VanDerWaalsContact O-CB 3.31Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.11Å |
| 155 | A | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K100 L103 Y149 D151 P152 A158 I159 | K100-A155 WeakPolarHBondContact O-CB 3.41Å; L103-A155 HydrophobicContact CD1-CB 4.26Å; L103-A155 HydrophobicContact CD2-CB 4.03Å; L103-A155 HydrophobicContact CG-CB 4.13Å; Y149-A155 HydrophobicContact CD2-CB 3.73Å; Y149-A155 HydrophobicContact CG-CB 4.15Å; D151-A155 PolarHBondContact O-N 2.63Å; P152-A155 PolarHBondContact O-N 3.03Å; A155-A158 PolarHBondContact O-N 3.37Å; A155-I159 WeakPolarHBondContact O-CG1 3.26Å; A155-I159 PolarHBondContact O-N 3.48Å |
| 156 | E | 91.2 | Very high | 91.2 | Very high | 108 Ų | 108 | 63.5 Ų | 63.5 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 175.8 | -174.7 | 175 | -119.7 | 0 | 0 | 112.1 | P152 D154 A158 I159 N160 Y176 | P152-E156 PolarHBondContact O-N 3.36Å; P152-E156 VanDerWaalsContact O-N 3.14Å; D154-E156 PolarHBondContact O-N 2.84Å; E156-A158 VanDerWaalsContact C-N 3.25Å; E156-A158 PolarHBondContact O-N 3.33Å; E156-I159 PolarHBondContact O-N 3.48Å; E156-N160 PolarHBondContact O-N 3.45Å; E156-N160 PolarHBondContact O-OD1 2.97Å; E156-Y176 WeakPolarHBondContact CB-OH 3.47Å |
| 157 | K | 92.6 | Very high | 90.9 | Very high | 111 Ų | 111 | 61.4 Ų | 61.4 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 174 | -71.9 | 174.3 | -168.5 | 161.7 | 0 | 112.1 | I124 K153 D154 N160 T161 | I124-K157 HydrophobicContact CG2-CB 3.82Å; K153-K157 WeakPolarHBondContact O-CG 3.35Å; K153-K157 PolarHBondContact O-N 3.42Å; K153-K157 VanDerWaalsContact O-N 3.14Å; D154-K157 PolarHBondContact O-N 2.96Å; D154-K157 IonicContact OD1-NZ 3.27Å; D154-K157 PolarHBondContact OD1-NZ 2.95Å; K157-N160 PolarHBondContact O-N 3.44Å; K157-T161 VanDerWaalsContact O-CB 3.3Å; K157-T161 WeakPolarHBondContact O-CB 3.48Å; K157-T161 PolarHBondContact O-N 3.03Å; K157-T161 PolarHBondContact O-OG1 3.33Å |
| 158 | A | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L103 F121 I124 Y149 D154 A155 E156 L162 | L103-A158 HydrophobicContact CD1-CB 3.93Å; F121-A158 HydrophobicContact CD1-CB 4.3Å; I124-A158 HydrophobicContact CB-CB 4.35Å; I124-A158 HydrophobicContact CG1-CB 4.43Å; I124-A158 HydrophobicContact CG2-CB 3.99Å; Y149-A158 HydrophobicContact CE2-CB 3.73Å; Y149-A158 WeakPolarHBondContact OH-CB 3.3Å; D154-A158 VanDerWaalsContact O-CB 3.31Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.11Å; A155-A158 PolarHBondContact O-N 3.37Å; E156-A158 VanDerWaalsContact C-N 3.25Å; E156-A158 PolarHBondContact O-N 3.33Å; A158-L162 HydrophobicContact CB-CD1 4.34Å; A158-L162 WeakPolarHBondContact O-CA 3.48Å; A158-L162 WeakPolarHBondContact O-CB 3.37Å; A158-L162 PolarHBondContact O-N 3.47Å |
| 159 | I | 92.4 | Very high | 90 | Very high | 19 Ų | 19 | 72.3 Ų | 72.3 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -51.4 | 171.9 | -65.9 | 161.7 | 0 | 0 | 0 | 110.1 | L103 A155 E156 T161 N163 V174 Y176 | L103-I159 HydrophobicContact CD1-CG1 4.1Å; L103-I159 HydrophobicContact CD2-CD1 3.48Å; L103-I159 VanDerWaalsContact CD2-CD1 3.48Å; L103-I159 HydrophobicContact CD2-CG1 3.72Å; A155-I159 WeakPolarHBondContact O-CG1 3.26Å; A155-I159 PolarHBondContact O-N 3.48Å; E156-I159 PolarHBondContact O-N 3.48Å; I159-T161 PolarHBondContact O-N 3.16Å; I159-N163 HydrophobicContact CG2-CB 4.4Å; I159-N163 WeakPolarHBondContact O-CB 3.17Å; I159-N163 PolarHBondContact O-N 3.36Å; I159-V174 HydrophobicContact CG1-CG1 3.9Å; I159-Y176 HydrophobicContact CD1-CD1 3.74Å; I159-Y176 HydrophobicContact CD1-CD2 3.67Å; I159-Y176 HydrophobicContact CD1-CE1 3.46Å; I159-Y176 VanDerWaalsContact CD1-CE1 3.46Å; I159-Y176 HydrophobicContact CD1-CE2 3.41Å; I159-Y176 VanDerWaalsContact CD1-CE2 3.41Å; I159-Y176 HydrophobicContact CD1-CG 3.84Å |
| 160 | N | 92 | Very high | 89.6 | Confident | 131 Ų | 131 | 75.7 Ų | 75.7 | 70% | 0.701 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.7 | -29.3 | -174.7 | -73.8 | 19.2 | 0 | 0 | 0 | 113.1 | E156 K157 | E156-N160 PolarHBondContact O-N 3.45Å; E156-N160 PolarHBondContact O-OD1 2.97Å; K157-N160 PolarHBondContact O-N 3.44Å |
| 161 | T | 90 | Very high | 89.5 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 55% | 0.546 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -95.8 | -40.8 | -175.6 | -47.7 | 0 | 0 | 0 | 0 | 113.1 | I124 K157 I159 | I124-T161 HydrophobicContact CD1-CG2 4.17Å; K157-T161 VanDerWaalsContact O-CB 3.3Å; K157-T161 WeakPolarHBondContact O-CB 3.48Å; K157-T161 PolarHBondContact O-N 3.03Å; K157-T161 PolarHBondContact O-OG1 3.33Å; I159-T161 PolarHBondContact O-N 3.16Å |
| 162 | L | 89.9 | Confident | 89.6 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -98.8 | -16.2 | -172.1 | -57.5 | 173.8 | 0 | 0 | 0 | 113.2 | F121 I124 A158 G164 L165 I172 V174 | F121-L162 HydrophobicContact CD1-CD1 3.65Å; F121-L162 HydrophobicContact CD2-CD1 4.16Å; F121-L162 HydrophobicContact CE1-CD1 3.62Å; F121-L162 HydrophobicContact CE2-CD1 4.14Å; F121-L162 HydrophobicContact CG-CD1 3.92Å; F121-L162 HydrophobicContact CZ-CB 4.44Å; F121-L162 HydrophobicContact CZ-CD1 3.86Å; I124-L162 HydrophobicContact CG1-CD1 3.94Å; I124-L162 HydrophobicContact CG1-CG 4.29Å; A158-L162 HydrophobicContact CB-CD1 4.34Å; A158-L162 WeakPolarHBondContact O-CA 3.48Å; A158-L162 WeakPolarHBondContact O-CB 3.37Å; A158-L162 PolarHBondContact O-N 3.47Å; L162-G164 PolarHBondContact O-N 2.79Å; L162-L165 HydrophobicContact CD2-CD1 3.97Å; L162-L165 VanDerWaalsContact O-CB 3.24Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 3.03Å; L162-L165 VanDerWaalsContact O-N 3.17Å; L162-I172 WeakPolarHBondContact O-CD1 3.17Å; L162-V174 HydrophobicContact CB-CG2 4.14Å |
| 163 | N | 91.6 | Very high | 89.5 | Confident | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 125.6 | 174.6 | -175.8 | 38.3 | 0 | 0 | 0 | 110.6 | I159 K173 V174 | I159-N163 HydrophobicContact CG2-CB 4.4Å; I159-N163 WeakPolarHBondContact O-CB 3.17Å; I159-N163 PolarHBondContact O-N 3.36Å; N163-K173 WeakPolarHBondContact OD1-CA 3.48Å; N163-V174 HydrophobicContact CB-CB 4.13Å; N163-V174 PolarHBondContact OD1-N 2.96Å; N163-V174 VanDerWaalsContact OD1-N 3.09Å; N163-V174 PolarHBondContact OD1-O 3.06Å |
| 164 | G | 87.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 4.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L162 R166 T171 I172 | L162-G164 PolarHBondContact O-N 2.79Å; G164-R166 PolarHBondContact O-N 3.49Å; G164-T171 VanDerWaalsContact C-CG2 3.45Å; G164-T171 WeakPolarHBondContact O-CG2 3.37Å; G164-I172 WeakPolarHBondContact CA-O 3.45Å; G164-I172 PolarHBondContact N-O 3.37Å |
| 165 | L | 88.1 | Confident | 89.4 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | trans | -69 | 132.1 | 178.1 | -169.7 | 141.4 | 0 | 0 | 0 | 110.7 | L162 L167 T171 I172 | L162-L165 HydrophobicContact CD2-CD1 3.97Å; L162-L165 VanDerWaalsContact O-CB 3.24Å; L162-L165 WeakPolarHBondContact O-CB 3.44Å; L162-L165 PolarHBondContact O-N 3.03Å; L162-L165 VanDerWaalsContact O-N 3.17Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.26Å; L165-L167 HydrophobicContact CD2-CG 3.62Å; L165-L167 PolarHBondContact O-N 3.37Å; L165-T171 WeakPolarHBondContact O-CA 3.46Å; L165-I172 HydrophobicContact CB-CD1 4.11Å; L165-I172 HydrophobicContact CB-CG1 3.9Å; L165-I172 VanDerWaalsContact O-CG1 3.32Å; L165-I172 WeakPolarHBondContact O-CG1 3.45Å; L165-I172 PolarHBondContact O-N 3.33Å | ||
| 166 | R | 88.2 | Confident | 89.3 | Confident | 197 Ų | 197 | 71.6 Ų | 71.6 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 109.3 | -178.4 | -159.8 | 167.5 | 94.9 | -167.7 | 7.1 | 110.8 | G164 K170 | G164-R166 PolarHBondContact O-N 3.49Å; R166-K170 CarbonylContact C-O 3.5Å |
| 167 | L | 86 | Confident | 88.9 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 110 | 173.3 | -64.6 | -176.5 | 0 | 0 | 0 | 109.9 | L108 P109 M112 L120 L165 T169 K170 I172 | L108-L167 HydrophobicContact CD2-CD1 4.44Å; P109-L167 HydrophobicContact CG-CB 4.19Å; M112-L167 HydrophobicContact CE-CD1 3.9Å; M112-L167 HydrophobicContact SD-CD1 3.58Å; M112-L167 VanDerWaalsContact SD-CD1 3.58Å; L120-L167 HydrophobicContact CD1-CD1 4.4Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.26Å; L165-L167 HydrophobicContact CD2-CG 3.62Å; L165-L167 PolarHBondContact O-N 3.37Å; L167-T169 PolarHBondContact O-N 3.29Å; L167-K170 CarbonylContact C-O 3.59Å; L167-K170 PolarHBondContact N-O 2.78Å; L167-K170 PolarHBondContact O-N 3.33Å; L167-I172 HydrophobicContact CB-CG2 4.35Å; L167-I172 HydrophobicContact CD1-CD1 4.36Å; L167-I172 HydrophobicContact CD1-CG2 3.61Å; L167-I172 HydrophobicContact CG-CG2 4.01Å |
| 168 | Q | 81.9 | Confident | 88.1 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -106.9 | -179.7 | -56.2 | 172.3 | 0.9 | 0 | 0 | 112 | N111 | N111-Q168 VanDerWaalsContact ND2-CD 3.34Å; N111-Q168 PolarHBondContact ND2-NE2 3.49Å; N111-Q168 PolarHBondContact ND2-OE1 2.92Å; N111-Q168 PolarHBondContact OD1-NE2 3.28Å; N111-Q168 PolarHBondContact OD1-OE1 3.31Å; N111-Q168 VanDerWaalsContact OD1-OE1 3.08Å |
| 169 | T | 83.8 | Confident | 86.9 | Confident | 132 Ų | 132 | 70.2 Ų | 70.2 | 81% | 0.81 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -0.1 | -179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | L167 | L167-T169 PolarHBondContact O-N 3.29Š|
| 170 | K | 86 | Confident | 85.3 | Confident | 72 Ų | 72 | 73 Ų | 73 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.5 | -177.2 | -61.5 | -171.5 | -174.8 | 179.9 | 0 | 111.6 | Y107 L108 R166 L167 | Y107-K170 VanDerWaalsContact O-CB 3.28Å; Y107-K170 WeakPolarHBondContact O-CB 3.29Å; Y107-K170 VanDerWaalsContact O-CD 3.29Å; Y107-K170 WeakPolarHBondContact O-CD 3.28Å; L108-K170 PolarHBondContact O-NZ 3.49Å; L108-K170 VanDerWaalsContact O-NZ 3.09Å; R166-K170 CarbonylContact C-O 3.5Å; L167-K170 CarbonylContact C-O 3.59Å; L167-K170 PolarHBondContact N-O 2.78Å; L167-K170 PolarHBondContact O-N 3.33Å |
| 171 | T | 88.9 | Confident | 83.7 | Confident | 73 Ų | 73 | 69 Ų | 69 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.1 | 171.3 | -52.4 | 0 | 0 | 0 | 0 | 108 | Y107 G164 L165 | Y107-T171 WeakPolarHBondContact CB-O 3.38Å; G164-T171 VanDerWaalsContact C-CG2 3.45Å; G164-T171 WeakPolarHBondContact O-CG2 3.37Å; L165-T171 WeakPolarHBondContact O-CA 3.46Å |
| 172 | I | 91.3 | Very high | 82 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | trans | -73.1 | 143.4 | -178.7 | 63.2 | 164.7 | 0 | 0 | 0 | 110.4 | V105 N106 L108 L162 G164 L165 L167 V174 | V105-I172 HydrophobicContact CG1-CB 4.27Å; V105-I172 HydrophobicContact CG1-CD1 4.31Å; N106-I172 WeakPolarHBondContact O-CA 3.16Å; L108-I172 HydrophobicContact CD2-CG2 3.85Å; L162-I172 WeakPolarHBondContact O-CD1 3.17Å; G164-I172 WeakPolarHBondContact CA-O 3.45Å; G164-I172 PolarHBondContact N-O 3.37Å; L165-I172 HydrophobicContact CB-CD1 4.11Å; L165-I172 HydrophobicContact CB-CG1 3.9Å; L165-I172 VanDerWaalsContact O-CG1 3.32Å; L165-I172 WeakPolarHBondContact O-CG1 3.45Å; L165-I172 PolarHBondContact O-N 3.33Å; L167-I172 HydrophobicContact CB-CG2 4.35Å; L167-I172 HydrophobicContact CD1-CD1 4.36Å; L167-I172 HydrophobicContact CD1-CG2 3.61Å; L167-I172 HydrophobicContact CG-CG2 4.01Å; I172-V174 HydrophobicContact CD1-CG2 4.13Å | ||
| 173 | K | 90.1 | Very high | 80.4 | Confident | 94 Ų | 94 | 71.2 Ų | 71.2 | 41% | 0.409 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.7 | 173.7 | -179.1 | 173 | 177.4 | 171.7 | 0 | 108.8 | V105 N106 Y107 N163 | V105-K173 WeakPolarHBondContact CA-O 3.33Å; N106-K173 HydrophobicContact CB-CB 4.37Å; N106-K173 PolarHBondContact N-O 3.39Å; N106-K173 PolarHBondContact O-N 2.94Å; Y107-K173 HydrophobicContact CD2-CB 3.85Å; Y107-K173 HydrophobicContact CE2-CB 4.15Å; Y107-K173 HydrophobicContact CE2-CD 4.43Å; N163-K173 WeakPolarHBondContact OD1-CA 3.48Å |
| 174 | V | 91.6 | Very high | 79 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131 | 178.7 | -170 | 0 | 0 | 0 | 0 | 108 | L103 V105 F121 I159 L162 N163 I172 | L103-V174 HydrophobicContact CB-CG1 4.42Å; L103-V174 HydrophobicContact CD1-CG1 3.93Å; V105-V174 HydrophobicContact CG1-CG2 4.26Å; V105-V174 HydrophobicContact CG2-CG1 4.49Å; V105-V174 HydrophobicContact CG2-CG2 4.5Å; F121-V174 HydrophobicContact CE1-CG1 3.94Å; F121-V174 HydrophobicContact CE1-CG2 4.17Å; F121-V174 HydrophobicContact CZ-CG1 4.31Å; F121-V174 HydrophobicContact CZ-CG2 3.78Å; I159-V174 HydrophobicContact CG1-CG1 3.9Å; L162-V174 HydrophobicContact CB-CG2 4.14Å; N163-V174 HydrophobicContact CB-CB 4.13Å; N163-V174 PolarHBondContact OD1-N 2.96Å; N163-V174 VanDerWaalsContact OD1-N 3.09Å; N163-V174 PolarHBondContact OD1-O 3.06Å; I172-V174 HydrophobicContact CD1-CG2 4.13Å |
| 175 | S | 89.4 | Confident | 77.7 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 27% | 0.266 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.7 | 177.7 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | L103 I104 A177 | L103-S175 WeakPolarHBondContact CA-O 3.11Å; I104-S175 WeakPolarHBondContact CG2-O 3.43Å; I104-S175 VanDerWaalsContact CG2-OG 3.3Å; I104-S175 WeakPolarHBondContact CG2-OG 3.29Å; I104-S175 PolarHBondContact N-O 2.77Å; I104-S175 PolarHBondContact O-N 2.84Å; S175-A177 PolarHBondContact O-N 2.76Å |
| 176 | Y | 89.9 | Confident | 76.7 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 35% | 0.349 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 127.6 | 171.8 | -65 | -72.1 | 0 | 0 | 0 | 110.7 | K100 N102 L103 E156 I159 | K100-Y176 HydrophobicContact CB-CE1 4.35Å; K100-Y176 WeakPolarHBondContact O-CE1 3.37Å; N102-Y176 CarbonylContact O-C 3.46Å; L103-Y176 HydrophobicContact CD2-CD1 3.72Å; L103-Y176 HydrophobicContact CD2-CE1 4.07Å; L103-Y176 HydrophobicContact CD2-CG 4.44Å; E156-Y176 WeakPolarHBondContact CB-OH 3.47Å; I159-Y176 HydrophobicContact CD1-CD1 3.74Å; I159-Y176 HydrophobicContact CD1-CD2 3.67Å; I159-Y176 HydrophobicContact CD1-CE1 3.46Å; I159-Y176 VanDerWaalsContact CD1-CE1 3.46Å; I159-Y176 HydrophobicContact CD1-CE2 3.41Å; I159-Y176 VanDerWaalsContact CD1-CE2 3.41Å; I159-Y176 HydrophobicContact CD1-CG 3.84Å |
| 177 | A | 82.8 | Confident | 76.4 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 137.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | N102 L103 I104 F146 S175 | N102-A177 HydrophobicContact CB-CB 3.96Å; N102-A177 PolarHBondContact O-N 2.95Å; L103-A177 VanDerWaalsContact C-CB 3.46Å; I104-A177 HydrophobicContact CB-CB 4Å; I104-A177 HydrophobicContact CG2-CB 4.44Å; F146-A177 HydrophobicContact CD1-CB 3.91Å; F146-A177 HydrophobicContact CE1-CB 4.19Å; S175-A177 PolarHBondContact O-N 2.76Å |
| 178 | R | 75.6 | Confident | 76.5 | Confident | 95 Ų | 95 | 64 Ų | 64 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 142.8 | 171.9 | -80.7 | -178.2 | 170.2 | -176.4 | -5.8 | 110.8 | S180 D236 | R178-S180 PolarHBondContact O-N 2.69Å; R178-D236 VanDerWaalsContact CZ-CG 3.41Å; R178-D236 IonicContact CZ-OD1 2.83Å; R178-D236 IonicContact CZ-OD2 3.54Å; R178-D236 VanDerWaalsContact CZ-OD2 3.24Å; R178-D236 IonicContact NH1-OD1 2.75Å; R178-D236 PolarHBondContact NH1-OD1 3.13Å; R178-D236 IonicContact NH1-OD2 3.25Å; R178-D236 PolarHBondContact NH1-OD2 3.3Å; R178-D236 VanDerWaalsContact NH1-OD2 3.17Å; R178-D236 VanDerWaalsContact NH2-CG 3.32Å; R178-D236 IonicContact NH2-OD1 3.86Å; R178-D236 IonicContact NH2-OD2 2.58Å; R178-D236 PolarHBondContact NH2-OD2 2.84Å |
| 179 | P | 67.3 | Low | 76.9 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 126.5 | 168.3 | 23 | -31.1 | 0 | 0 | 0 | 108.2 | S181 I184 | P179-S181 PolarHBondContact O-N 3.17Å; P179-I184 WeakPolarHBondContact O-CD1 3.27Å |
| 180 | S | 59.3 | Low | 77.2 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | trans | -72.8 | 78 | -179.9 | 164.6 | 0 | 0 | 0 | 0 | 109.6 | R178 R185 | R178-S180 PolarHBondContact O-N 2.69Å; S180-R185 PolarHBondContact OG-NE 3.06Å; S180-R185 PolarHBondContact OG-NH2 2.82Å | ||
| 181 | S | 58.2 | Low | 77.3 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | trans | -76.5 | 145.5 | 166.6 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | P179 S183 I184 | P179-S181 PolarHBondContact O-N 3.17Å; S181-S183 PolarHBondContact O-N 2.58Å; S181-S183 VanDerWaalsContact O-N 3.09Å; S181-S183 PolarHBondContact OG-OG 2.85Å; S181-S183 VanDerWaalsContact OG-OG 3.07Å; S181-I184 PolarHBondContact O-N 2.83Å; S181-I184 WeakPolarHBondContact OG-CD1 3.06Å; S181-I184 WeakPolarHBondContact OG-CG1 3.26Å | ||
| 182 | A | 54.7 | Low | 77.3 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 71% | 0.711 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -56.4 | -25.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 | A182-I184 VanDerWaalsContact C-N 3.27Å; A182-I184 PolarHBondContact O-N 3.18Å |
| 183 | S | 55.7 | Low | 76.9 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -71 | -10.7 | 175.9 | 46.8 | 0 | 0 | 0 | 0 | 115.1 | S181 R238 | S181-S183 PolarHBondContact O-N 2.58Å; S181-S183 VanDerWaalsContact O-N 3.09Å; S181-S183 PolarHBondContact OG-OG 2.85Å; S181-S183 VanDerWaalsContact OG-OG 3.07Å; S183-R238 VanDerWaalsContact O-CB 3.25Å; S183-R238 WeakPolarHBondContact O-CB 3.31Å; S183-R238 PolarHBondContact O-N 2.83Å; S183-R238 VanDerWaalsContact O-N 3.09Å |
| 184 | I | 62.2 | Low | 76.7 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -101.1 | -13 | -179 | -59.4 | 169 | 0 | 0 | 0 | 112.1 | P179 S181 A182 D186 | P179-I184 WeakPolarHBondContact O-CD1 3.27Å; S181-I184 PolarHBondContact O-N 2.83Å; S181-I184 WeakPolarHBondContact OG-CD1 3.06Å; S181-I184 WeakPolarHBondContact OG-CG1 3.26Å; A182-I184 VanDerWaalsContact C-N 3.27Å; A182-I184 PolarHBondContact O-N 3.18Å; I184-D186 PolarHBondContact O-N 3.09Å |
| 185 | R | 61.5 | Low | 76.2 | Confident | 145 Ų | 145 | 47 Ų | 47 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -19.9 | -173 | -66.9 | -171.6 | 179.7 | -168.2 | 2.8 | 114.6 | S180 | S180-R185 PolarHBondContact OG-NE 3.06Å; S180-R185 PolarHBondContact OG-NH2 2.82Å |
| 186 | D | 67.4 | Low | 75.8 | Confident | 55 Ų | 55 | 52.8 Ų | 52.8 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 24.6 | -175.4 | -58.1 | -30.2 | 0 | 0 | 0 | 113.1 | I184 N188 R238 F264 Q270 | I184-D186 PolarHBondContact O-N 3.09Å; D186-N188 VanDerWaalsContact C-N 3.26Å; D186-N188 PolarHBondContact O-N 2.81Å; D186-R238 IonicContact OD2-CZ 3.24Å; D186-R238 IonicContact OD2-NH1 2.69Å; D186-R238 PolarHBondContact OD2-NH1 2.77Å; D186-F264 VanDerWaalsContact O-CD1 3.24Å; D186-F264 WeakPolarHBondContact O-CD1 3.19Å; D186-F264 WeakPolarHBondContact O-CE1 3.33Å; D186-Q270 PolarHBondContact OD1-NE2 2.96Å; D186-Q270 VanDerWaalsContact OD1-NE2 3.11Å |
| 187 | A | 81.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -88.8 | 14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F235 A241 | A187-F235 HydrophobicContact CB-CB 4.25Å; A187-F235 WeakPolarHBondContact CB-O 3.44Å; A187-F235 PolarHBondContact O-N 3.36Å; A187-A241 HydrophobicContact CB-CB 4.45Å | ||
| 188 | N | 87.9 | Confident | 75.5 | Confident | 31 Ų | 31 | 55 Ų | 55 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.6 | 177.6 | -64.2 | -16.3 | 0 | 0 | 0 | 109.3 | D186 I233 R234 A265 | D186-N188 VanDerWaalsContact C-N 3.26Å; D186-N188 PolarHBondContact O-N 2.81Å; N188-I233 CarbonylContact C-O 3.6Å; N188-R234 WeakPolarHBondContact OD1-CB 3.3Å; N188-R234 WeakPolarHBondContact OD1-CD 3.41Å; N188-R234 WeakPolarHBondContact OD1-CG 3.41Å; N188-R234 PolarHBondContact OD1-NE 3.44Å; N188-A265 HydrophobicContact CB-CB 3.88Å; N188-A265 PolarHBondContact O-N 2.81Å |
| 189 | L | 89.4 | Confident | 76 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.6 | 176.4 | -58.1 | -170.7 | 0 | 0 | 0 | 110.8 | F207 F232 I233 F235 A241 A244 I245 V262 K263 F264 | L189-F207 HydrophobicContact CD1-CE1 4.45Å; L189-F232 WeakPolarHBondContact O-CA 3.49Å; L189-I233 HydrophobicContact CB-CB 4.48Å; L189-I233 PolarHBondContact N-O 3.33Å; L189-I233 PolarHBondContact O-N 2.88Å; L189-F235 HydrophobicContact CD1-CD2 3.76Å; L189-F235 HydrophobicContact CD1-CE2 3.48Å; L189-F235 VanDerWaalsContact CD1-CE2 3.48Å; L189-F235 HydrophobicContact CG-CD2 4.13Å; L189-F235 HydrophobicContact CG-CE2 4.29Å; L189-A241 HydrophobicContact CD1-CB 4.19Å; L189-A241 HydrophobicContact CD2-CB 3.87Å; L189-A241 HydrophobicContact CG-CB 4.06Å; L189-A244 HydrophobicContact CD1-CB 4.01Å; L189-I245 HydrophobicContact CD1-CG1 4.2Å; L189-I245 HydrophobicContact CD2-CD1 3.48Å; L189-I245 VanDerWaalsContact CD2-CD1 3.48Å; L189-I245 HydrophobicContact CD2-CG1 3.72Å; L189-V262 HydrophobicContact CB-CG1 4.24Å; L189-V262 HydrophobicContact CD1-CG1 3.71Å; L189-V262 HydrophobicContact CG-CG1 4.44Å; L189-K263 CarbonylContact C-O 3.56Å; L189-K263 VanDerWaalsContact CA-O 3.31Å; L189-K263 WeakPolarHBondContact CA-O 3.48Å; L189-F264 HydrophobicContact CD2-CD1 3.88Å; L189-F264 HydrophobicContact CD2-CE1 4.11Å |
| 190 | Y | 90.1 | Very high | 77 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.3 | 167.1 | 175.4 | -93 | 0 | 0 | 0 | 107.9 | V230 F232 V262 K263 | Y190-V230 HydrophobicContact CD2-CG1 4.05Å; Y190-V230 HydrophobicContact CE2-CG1 3.25Å; Y190-V230 WeakPolarHBondContact OH-CG2 3.34Å; Y190-F232 HydrophobicContact CD2-CD1 4.39Å; Y190-F232 AromaticContact CD2-CE1 3.68Å; Y190-F232 HydrophobicContact CD2-CE1 3.68Å; Y190-F232 HydrophobicContact CD2-CE2 4.43Å; Y190-F232 AromaticContact CD2-CZ 3.71Å; Y190-F232 HydrophobicContact CD2-CZ 3.71Å; Y190-F232 HydrophobicContact CE2-CZ 4.12Å; Y190-V262 WeakPolarHBondContact O-CA 3.24Å; Y190-K263 PolarHBondContact N-O 3.08Å; Y190-K263 PolarHBondContact O-N 3.11Å |
| 191 | V | 89.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 120.9 | -179.2 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | L194 L203 F207 V230 G231 I233 I260 T261 V262 | V191-L194 HydrophobicContact CB-CD1 4.32Å; V191-L194 HydrophobicContact CG1-CD1 3.97Å; V191-L194 HydrophobicContact CG1-CD2 3.76Å; V191-L194 HydrophobicContact CG1-CG 3.86Å; V191-L203 HydrophobicContact CG1-CD1 4.42Å; V191-F207 HydrophobicContact CB-CZ 4.45Å; V191-F207 HydrophobicContact CG1-CE2 4.21Å; V191-F207 HydrophobicContact CG1-CZ 3.89Å; V191-F207 HydrophobicContact CG2-CE1 4.05Å; V191-F207 HydrophobicContact CG2-CE2 4.28Å; V191-F207 HydrophobicContact CG2-CZ 3.62Å; V191-V230 CarbonylContact O-C 3.56Å; V191-V230 VanDerWaalsContact O-CA 3.29Å; V191-V230 WeakPolarHBondContact O-CA 3.45Å; V191-G231 PolarHBondContact N-O 3.45Å; V191-G231 PolarHBondContact O-N 2.97Å; V191-I233 HydrophobicContact CG2-CD1 3.88Å; V191-I233 HydrophobicContact CG2-CG1 4.17Å; V191-I260 HydrophobicContact CG1-CG2 3.48Å; V191-I260 VanDerWaalsContact CG1-CG2 3.48Å; V191-T261 CarbonylContact C-O 3.59Å; V191-T261 WeakPolarHBondContact CA-O 3.45Å; V191-V262 HydrophobicContact CG1-CG2 4.39Å; V191-V262 HydrophobicContact CG2-CG1 4.37Å |
| 192 | S | 88.4 | Confident | 79.8 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 162.5 | 174.7 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | G229 I260 T261 | S192-G229 CarbonylContact C-O 3.27Å; S192-G229 WeakPolarHBondContact CA-O 3.5Å; S192-I260 CarbonylContact O-C 3.45Å; S192-I260 WeakPolarHBondContact O-CA 3.38Å; S192-T261 PolarHBondContact N-O 3.36Å; S192-T261 PolarHBondContact O-N 2.98Å; S192-T261 WeakPolarHBondContact OG-CB 3.49Å |
| 193 | G | 82.9 | Confident | 81.4 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | trans | 79.9 | 22.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G229 | G193-G229 PolarHBondContact N-O 2.9Š| ||
| 194 | L | 85.1 | Confident | 83 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -74.3 | 141.1 | 173.2 | -65 | 172.2 | 0 | 0 | 0 | 110.2 | V191 L203 G229 I260 | V191-L194 HydrophobicContact CB-CD1 4.32Å; V191-L194 HydrophobicContact CG1-CD1 3.97Å; V191-L194 HydrophobicContact CG1-CD2 3.76Å; V191-L194 HydrophobicContact CG1-CG 3.86Å; L194-L203 HydrophobicContact CD1-CD1 3.77Å; L194-L203 HydrophobicContact CD1-CD2 4.09Å; L194-L203 HydrophobicContact CD2-CD1 3.73Å; L194-L203 HydrophobicContact CG-CD1 4.43Å; L194-G229 PolarHBondContact N-O 3.1Å; L194-G229 WeakPolarHBondContact O-CA 3.37Å; L194-I260 HydrophobicContact CD2-CD1 3.95Å; L194-I260 HydrophobicContact CD2-CG1 4.09Å | ||
| 195 | P | 82 | Confident | 84.2 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | trans | -64.1 | 148.3 | 176.1 | 15.2 | -15.5 | 0 | 0 | 0 | 110.9 | T197 M198 A256 | P195-T197 PolarHBondContact O-N 3.36Å; P195-M198 HydrophobicContact CG-CB 3.92Å; P195-M198 HydrophobicContact CG-SD 4.31Å; P195-M198 WeakPolarHBondContact O-CB 3.5Å; P195-M198 PolarHBondContact O-N 2.69Å; P195-A256 HydrophobicContact CB-CB 4.26Å; P195-A256 HydrophobicContact CG-CB 4.1Å | ||
| 196 | K | 81.7 | Confident | 85.4 | Confident | 158 Ų | 158 | 58.5 Ų | 58.5 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.4 | -178.5 | -65.9 | -178.4 | 179 | -178.7 | 0 | 112.9 | M198 V226 S227 | K196-M198 VanDerWaalsContact C-N 3.35Å; K196-V226 HydrophobicContact CB-CG1 4.48Å; K196-V226 HydrophobicContact CD-CG1 3.96Å; K196-V226 HydrophobicContact CG-CG1 4.37Å; K196-S227 WeakPolarHBondContact O-CB 3.16Å; K196-S227 PolarHBondContact O-OG 3.33Å |
| 197 | T | 82.1 | Confident | 86.3 | Confident | 118 Ų | 118 | 55.9 Ų | 55.9 | 72% | 0.724 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -13.1 | 175.7 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | P195 T199 | P195-T197 PolarHBondContact O-N 3.36Å; T197-T199 PolarHBondContact O-N 3.48Å |
| 198 | M | 83.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | trans | -66 | 125.6 | -177.1 | -163 | 75 | 175.2 | 0 | 0 | 110.9 | P195 K196 E202 I218 | P195-M198 HydrophobicContact CG-CB 3.92Å; P195-M198 HydrophobicContact CG-SD 4.31Å; P195-M198 WeakPolarHBondContact O-CB 3.5Å; P195-M198 PolarHBondContact O-N 2.69Å; K196-M198 VanDerWaalsContact C-N 3.35Å; M198-E202 VanDerWaalsContact CE-C 3.45Å; M198-E202 HydrophobicContact CE-CB 3.49Å; M198-E202 VanDerWaalsContact CE-CB 3.49Å; M198-E202 HydrophobicContact CG-CB 4.46Å; M198-E202 HydrophobicContact SD-CB 3.86Å; M198-I218 WeakPolarHBondContact O-CD1 3.31Å | ||
| 199 | T | 87.5 | Confident | 86.7 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | trans | -91.6 | 159.7 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | T197 K201 E202 L203 I218 | T197-T199 PolarHBondContact O-N 3.48Å; T199-K201 PolarHBondContact O-N 3.1Å; T199-E202 PolarHBondContact N-OE2 3.33Å; T199-E202 PolarHBondContact O-N 2.96Å; T199-E202 VanDerWaalsContact OG1-CD 3.23Å; T199-E202 VanDerWaalsContact OG1-CG 3.26Å; T199-E202 WeakPolarHBondContact OG1-CG 3.5Å; T199-E202 PolarHBondContact OG1-N 3.06Å; T199-E202 PolarHBondContact OG1-OE2 2.79Å; T199-L203 PolarHBondContact O-N 2.97Å; T199-I218 VanDerWaalsContact C-CD1 3.42Å | ||
| 200 | Q | 87.2 | Confident | 86.5 | Confident | 98 Ų | 98 | 65.8 Ų | 65.8 | 46% | 0.458 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.2 | -37.3 | 176.7 | -179.8 | -177.5 | -9.1 | 0 | 0 | 112 | L203 E204 S216 I218 | Q200-L203 WeakPolarHBondContact O-CB 3.43Å; Q200-L203 PolarHBondContact O-N 2.84Å; Q200-E204 WeakPolarHBondContact O-CB 3.43Å; Q200-E204 PolarHBondContact O-N 3.46Å; Q200-S216 WeakPolarHBondContact CG-OG 3.47Å; Q200-S216 PolarHBondContact NE2-O 3.35Å; Q200-S216 PolarHBondContact NE2-OG 3.32Å; Q200-I218 HydrophobicContact CB-CD1 4.44Å |
| 201 | K | 88.1 | Confident | 86.3 | Confident | 162 Ų | 162 | 62.6 Ų | 62.6 | 70% | 0.704 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | 179.8 | -172.8 | -179.3 | 178.2 | -176 | 0 | 111.8 | T199 L203 E204 Q205 | T199-K201 PolarHBondContact O-N 3.1Å; K201-L203 VanDerWaalsContact C-N 3.31Å; K201-L203 PolarHBondContact O-N 2.95Å; K201-E204 PolarHBondContact O-N 3.19Å; K201-Q205 WeakPolarHBondContact O-CB 3.24Å; K201-Q205 PolarHBondContact O-N 3.37Å |
| 202 | E | 87.8 | Confident | 86.2 | Confident | 89 Ų | 89 | 70.7 Ų | 70.7 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 175.5 | -69.1 | 162.8 | 158.2 | 0 | 0 | 111.1 | M198 T199 E204 Q205 L206 | M198-E202 VanDerWaalsContact CE-C 3.45Å; M198-E202 HydrophobicContact CE-CB 3.49Å; M198-E202 VanDerWaalsContact CE-CB 3.49Å; M198-E202 HydrophobicContact CG-CB 4.46Å; M198-E202 HydrophobicContact SD-CB 3.86Å; T199-E202 PolarHBondContact N-OE2 3.33Å; T199-E202 PolarHBondContact O-N 2.96Å; T199-E202 VanDerWaalsContact OG1-CD 3.23Å; T199-E202 VanDerWaalsContact OG1-CG 3.26Å; T199-E202 WeakPolarHBondContact OG1-CG 3.5Å; T199-E202 PolarHBondContact OG1-N 3.06Å; T199-E202 PolarHBondContact OG1-OE2 2.79Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.19Å; E202-Q205 PolarHBondContact O-N 2.83Å; E202-L206 WeakPolarHBondContact O-CB 3.1Å; E202-L206 PolarHBondContact O-N 2.84Å |
| 203 | L | 87.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.4 | -178.6 | 68.3 | 0 | 0 | 0 | 110.7 | V191 L194 T199 Q200 K201 L206 F207 I218 I233 | V191-L203 HydrophobicContact CG1-CD1 4.42Å; L194-L203 HydrophobicContact CD1-CD1 3.77Å; L194-L203 HydrophobicContact CD1-CD2 4.09Å; L194-L203 HydrophobicContact CD2-CD1 3.73Å; L194-L203 HydrophobicContact CG-CD1 4.43Å; T199-L203 PolarHBondContact O-N 2.97Å; Q200-L203 WeakPolarHBondContact O-CB 3.43Å; Q200-L203 PolarHBondContact O-N 2.84Å; K201-L203 VanDerWaalsContact C-N 3.31Å; K201-L203 PolarHBondContact O-N 2.95Å; L203-L206 PolarHBondContact O-N 2.7Å; L203-F207 HydrophobicContact CD1-CD2 3.79Å; L203-F207 HydrophobicContact CD1-CE2 3.56Å; L203-F207 HydrophobicContact CG-CD2 4.39Å; L203-F207 VanDerWaalsContact O-CD2 3.31Å; L203-F207 WeakPolarHBondContact O-CD2 3.47Å; L203-F207 PolarHBondContact O-N 3.47Å; L203-I218 HydrophobicContact CB-CD1 4.35Å; L203-I218 HydrophobicContact CD2-CD1 4.27Å; L203-I218 HydrophobicContact CD2-CG1 3.82Å; L203-I233 HydrophobicContact CD1-CD1 3.89Å; L203-I233 HydrophobicContact CD2-CD1 4Å; L203-I233 HydrophobicContact CD2-CG1 4Å; L203-I233 HydrophobicContact CG-CD1 3.72Å; L203-I233 HydrophobicContact CG-CG1 4.24Å |
| 204 | E | 89.6 | Confident | 86.3 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 176.5 | -168.2 | 168.9 | 136.7 | 0 | 0 | 111.5 | Q200 K201 E202 L206 F207 S208 I213 S216 | Q200-E204 WeakPolarHBondContact O-CB 3.43Å; Q200-E204 PolarHBondContact O-N 3.46Å; K201-E204 PolarHBondContact O-N 3.19Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 3.19Å; E204-L206 PolarHBondContact O-N 3.4Å; E204-F207 PolarHBondContact O-N 2.8Å; E204-S208 WeakPolarHBondContact O-CA 3.19Å; E204-S208 WeakPolarHBondContact O-CB 3.38Å; E204-S208 PolarHBondContact O-N 3.48Å; E204-S208 PolarHBondContact O-OG 3.4Å; E204-I213 HydrophobicContact CB-CD1 4.34Å; E204-I213 HydrophobicContact CG-CB 4.45Å; E204-I213 HydrophobicContact CG-CD1 3.76Å; E204-I213 HydrophobicContact CG-CG2 4.46Å; E204-I213 WeakPolarHBondContact O-CD1 3.39Å; E204-S216 PolarHBondContact OE2-OG 3.37Å |
| 205 | Q | 88.1 | Confident | 86.3 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 179.4 | -171.7 | 175.1 | -27.6 | 0 | 0 | 113 | K201 E202 S208 | K201-Q205 WeakPolarHBondContact O-CB 3.24Å; K201-Q205 PolarHBondContact O-N 3.37Å; E202-Q205 PolarHBondContact O-N 2.83Å; Q205-S208 PolarHBondContact O-OG 3.21Å |
| 206 | L | 86.1 | Confident | 86.6 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 177.1 | -174.5 | 70.7 | 0 | 0 | 0 | 111.5 | E202 L203 E204 Q209 L248 I260 | E202-L206 WeakPolarHBondContact O-CB 3.1Å; E202-L206 PolarHBondContact O-N 2.84Å; L203-L206 PolarHBondContact O-N 2.7Å; E204-L206 PolarHBondContact O-N 3.4Å; L206-Q209 WeakPolarHBondContact O-CG 3.07Å; L206-L248 HydrophobicContact CD1-CD2 4.44Å; L206-L248 HydrophobicContact CD2-CD2 4.48Å; L206-L248 HydrophobicContact CG-CD1 4.46Å; L206-L248 HydrophobicContact CG-CD2 4.25Å; L206-I260 HydrophobicContact CD2-CD1 4.08Å |
| 207 | F | 87.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -87.2 | -19.7 | -176.3 | -80.7 | -101.2 | 0 | 0 | 0 | 113.1 | L189 V191 L203 E204 Q209 Y210 I213 I233 F235 A244 L248 V262 | L189-F207 HydrophobicContact CD1-CE1 4.45Å; V191-F207 HydrophobicContact CB-CZ 4.45Å; V191-F207 HydrophobicContact CG1-CE2 4.21Å; V191-F207 HydrophobicContact CG1-CZ 3.89Å; V191-F207 HydrophobicContact CG2-CE1 4.05Å; V191-F207 HydrophobicContact CG2-CE2 4.28Å; V191-F207 HydrophobicContact CG2-CZ 3.62Å; L203-F207 HydrophobicContact CD1-CD2 3.79Å; L203-F207 HydrophobicContact CD1-CE2 3.56Å; L203-F207 HydrophobicContact CG-CD2 4.39Å; L203-F207 VanDerWaalsContact O-CD2 3.31Å; L203-F207 WeakPolarHBondContact O-CD2 3.47Å; L203-F207 PolarHBondContact O-N 3.47Å; E204-F207 PolarHBondContact O-N 2.8Å; F207-Q209 PolarHBondContact O-N 3.07Å; F207-Q209 VanDerWaalsContact O-N 3.16Å; F207-Y210 PolarHBondContact O-N 2.83Å; F207-Y210 VanDerWaalsContact O-N 3.1Å; F207-I213 HydrophobicContact CB-CD1 3.68Å; F207-I233 HydrophobicContact CB-CD1 3.74Å; F207-I233 HydrophobicContact CD1-CD1 3.5Å; F207-I233 VanDerWaalsContact CD1-CD1 3.5Å; F207-I233 HydrophobicContact CD2-CD1 3.31Å; F207-I233 HydrophobicContact CE1-CD1 3.82Å; F207-I233 HydrophobicContact CE2-CD1 3.65Å; F207-I233 HydrophobicContact CG-CD1 3.21Å; F207-I233 HydrophobicContact CZ-CD1 3.89Å; F207-F235 HydrophobicContact CB-CZ 3.92Å; F207-F235 HydrophobicContact CD1-CE2 4.01Å; F207-F235 AromaticContact CD1-CZ 3.97Å; F207-F235 HydrophobicContact CD1-CZ 3.97Å; F207-F235 HydrophobicContact CG-CZ 4.46Å; F207-F235 WeakPolarHBondContact O-CE1 3.29Å; F207-F235 WeakPolarHBondContact O-CZ 3.19Å; F207-A244 HydrophobicContact CD1-CB 4.22Å; F207-L248 HydrophobicContact CD1-CD1 3.44Å; F207-L248 VanDerWaalsContact CD1-CD1 3.44Å; F207-L248 HydrophobicContact CD2-CD1 3.82Å; F207-L248 HydrophobicContact CE1-CB 4.48Å; F207-L248 HydrophobicContact CE1-CD1 3.39Å; F207-L248 HydrophobicContact CE2-CD1 3.77Å; F207-L248 HydrophobicContact CG-CD1 3.68Å; F207-L248 HydrophobicContact CZ-CB 4.42Å; F207-L248 HydrophobicContact CZ-CD1 3.56Å; F207-V262 HydrophobicContact CE1-CG1 3.9Å; F207-V262 HydrophobicContact CE1-CG2 3.95Å; F207-V262 HydrophobicContact CZ-CG1 4.36Å; F207-V262 HydrophobicContact CZ-CG2 3.68Å |
| 208 | S | 89.1 | Confident | 87.3 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 44% | 0.441 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.7 | -178.6 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | E204 Q205 Y210 | E204-S208 WeakPolarHBondContact O-CA 3.19Å; E204-S208 WeakPolarHBondContact O-CB 3.38Å; E204-S208 PolarHBondContact O-N 3.48Å; E204-S208 PolarHBondContact O-OG 3.4Å; Q205-S208 PolarHBondContact O-OG 3.21Å; S208-Y210 VanDerWaalsContact C-N 3.28Å; S208-Y210 PolarHBondContact O-N 3.49Å |
| 209 | Q | 87.2 | Confident | 87.5 | Confident | 128 Ų | 128 | 73.1 Ų | 73.1 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.5 | 175.9 | 77.8 | 95.8 | 90.4 | 0 | 0 | 112.5 | L206 F207 | L206-Q209 WeakPolarHBondContact O-CG 3.07Å; F207-Q209 PolarHBondContact O-N 3.07Å; F207-Q209 VanDerWaalsContact O-N 3.16Å |
| 210 | Y | 86.8 | Confident | 87.5 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 18% | 0.184 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -16.5 | -178.8 | -63.1 | -85.2 | 0 | 0 | 0 | 112.9 | F207 S208 A244 L248 | F207-Y210 PolarHBondContact O-N 2.83Å; F207-Y210 VanDerWaalsContact O-N 3.1Å; S208-Y210 VanDerWaalsContact C-N 3.28Å; S208-Y210 PolarHBondContact O-N 3.49Å; Y210-A244 HydrophobicContact CD1-CB 4.37Å; Y210-A244 HydrophobicContact CD2-CB 4.24Å; Y210-A244 HydrophobicContact CG-CB 3.83Å; Y210-L248 HydrophobicContact CD2-CD1 3.63Å; Y210-L248 HydrophobicContact CD2-CG 4.01Å; Y210-L248 HydrophobicContact CE2-CD1 3.32Å; Y210-L248 HydrophobicContact CE2-CD2 3.57Å; Y210-L248 HydrophobicContact CE2-CG 3.25Å; Y210-L248 WeakPolarHBondContact OH-CD2 3.36Å |
| 211 | G | 85.9 | Confident | 87.4 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 167.7 | -179 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I213 | G211-I213 PolarHBondContact O-N 3.11Š|
| 212 | R | 86.8 | Confident | 86.9 | Confident | 169 Ų | 169 | 73 Ų | 73 | 64% | 0.638 | 36% | 0.355 | S | S | * | . | trans | -82.7 | 115.1 | -177.5 | -174.2 | -176.4 | -71 | -146.6 | 2.3 | 109.8 | F235 D236 E240 | R212-F235 CarbonylContact O-C 3.58Å; R212-D236 HydrophobicContact CB-CB 4.02Å; R212-D236 WeakPolarHBondContact O-CB 3.32Å; R212-D236 PolarHBondContact O-N 3.06Å; R212-E240 PolarHBondContact N-OE2 3.48Å | ||
| 213 | I | 89.6 | Confident | 86.7 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 14% | 0.138 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 133.1 | 177.3 | -60.4 | 168.7 | 0 | 0 | 0 | 110 | E204 F207 G211 I233 F235 | E204-I213 HydrophobicContact CB-CD1 4.34Å; E204-I213 HydrophobicContact CG-CB 4.45Å; E204-I213 HydrophobicContact CG-CD1 3.76Å; E204-I213 HydrophobicContact CG-CG2 4.46Å; E204-I213 WeakPolarHBondContact O-CD1 3.39Å; F207-I213 HydrophobicContact CB-CD1 3.68Å; G211-I213 PolarHBondContact O-N 3.11Å; I213-I233 HydrophobicContact CD1-CG2 4.24Å; I213-I233 HydrophobicContact CG1-CG2 4.03Å; I213-I233 HydrophobicContact CG2-CG2 3.94Å; I213-F235 HydrophobicContact CG1-CD1 4.32Å; I213-F235 HydrophobicContact CG1-CE1 3.91Å; I213-F235 HydrophobicContact CG1-CZ 4.23Å |
| 214 | I | 84.6 | Confident | 86.4 | Confident | 69 Ų | 69 | 79.4 Ų | 79.4 | 35% | 0.354 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -43.1 | 178.3 | -54.5 | -54 | 0 | 0 | 0 | 111.2 | R234 D236 | I214-R234 HydrophobicContact CB-CB 4.5Å; I214-R234 HydrophobicContact CB-CG 4.24Å; I214-R234 PolarHBondContact N-O 2.92Å; I214-D236 HydrophobicContact CD1-CB 4.08Å; I214-D236 HydrophobicContact CG1-CB 4.32Å |
| 215 | T | 84 | Confident | 85.9 | Confident | 69 Ų | 69 | 77.9 Ų | 77.9 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 127 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | I233 R234 | T215-I233 CarbonylContact O-C 3.56Å; T215-I233 WeakPolarHBondContact O-CA 3.45Å; T215-R234 PolarHBondContact N-O 3.22Å; T215-R234 PolarHBondContact O-N 3.05Å; T215-R234 VanDerWaalsContact OG1-CB 3.24Å; T215-R234 WeakPolarHBondContact OG1-CB 3.03Å |
| 216 | S | 88.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.9 | 164.6 | 57 | 0 | 0 | 0 | 0 | 108.2 | Q200 E204 F232 | Q200-S216 WeakPolarHBondContact CG-OG 3.47Å; Q200-S216 PolarHBondContact NE2-O 3.35Å; Q200-S216 PolarHBondContact NE2-OG 3.32Å; E204-S216 PolarHBondContact OE2-OG 3.37Å; S216-F232 CarbonylContact C-O 3.55Å |
| 217 | R | 87.6 | Confident | 85.5 | Confident | 166 Ų | 166 | 72.8 Ų | 72.8 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 131.2 | 171.2 | -177.8 | 175.2 | 175.2 | 178.3 | -1.5 | 110.5 | G231 F232 | R217-G231 CarbonylContact O-C 3.54Å; R217-G231 WeakPolarHBondContact O-CA 3.16Å; R217-F232 PolarHBondContact N-O 3.07Å; R217-F232 PolarHBondContact O-N 3Å |
| 218 | I | 89.9 | Confident | 85.3 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 11% | 0.113 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.1 | 169.5 | -63.2 | -177.3 | 0 | 0 | 0 | 109.1 | M198 T199 Q200 L203 V220 | M198-I218 WeakPolarHBondContact O-CD1 3.31Å; T199-I218 VanDerWaalsContact C-CD1 3.42Å; Q200-I218 HydrophobicContact CB-CD1 4.44Å; L203-I218 HydrophobicContact CB-CD1 4.35Å; L203-I218 HydrophobicContact CD2-CD1 4.27Å; L203-I218 HydrophobicContact CD2-CG1 3.82Å; I218-V220 PolarHBondContact O-N 3.19Å |
| 219 | L | 87.3 | Confident | 85.1 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 28% | 0.277 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 114.6 | 171.3 | -92 | 65.8 | 0 | 0 | 0 | 108.6 | R228 V230 F232 | L219-R228 HydrophobicContact CB-CB 4.46Å; L219-R228 WeakPolarHBondContact O-CB 3.2Å; L219-R228 PolarHBondContact O-N 2.99Å; L219-V230 HydrophobicContact CB-CB 4.5Å; L219-V230 PolarHBondContact N-O 3.46Å; L219-F232 HydrophobicContact CD1-CD2 3.33Å; L219-F232 HydrophobicContact CD1-CE2 3.33Å; L219-F232 HydrophobicContact CD2-CE2 3.99Å; L219-F232 HydrophobicContact CG-CE2 4.31Å |
| 220 | V | 87.3 | Confident | 85.1 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 143.7 | 167.6 | -63.1 | 0 | 0 | 0 | 0 | 109 | I218 Q222 | I218-V220 PolarHBondContact O-N 3.19Å; V220-Q222 PolarHBondContact O-N 2.89Å |
| 221 | D | 85.1 | Confident | 85.3 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | trans | -68.1 | 127.7 | 170.2 | -178.9 | 22.4 | 0 | 0 | 0 | 108.9 | V223 T224 G225 V226 R228 | D221-V223 VanDerWaalsContact C-N 3.26Å; D221-V223 PolarHBondContact O-N 3.38Å; D221-T224 WeakPolarHBondContact CB-OG1 3.21Å; D221-T224 WeakPolarHBondContact OD2-CG2 3.35Å; D221-T224 PolarHBondContact OD2-OG1 3.16Å; D221-G225 WeakPolarHBondContact O-CA 3.43Å; D221-G225 PolarHBondContact O-N 2.94Å; D221-V226 WeakPolarHBondContact CB-O 3.39Å; D221-V226 PolarHBondContact N-O 3.23Å; D221-R228 HydrophobicContact CB-CG 4.01Å | ||
| 222 | Q | 79.6 | Confident | 85.6 | Confident | 193 Ų | 193 | 73.9 Ų | 73.9 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.8 | -170.2 | -162.2 | 133.7 | 29.9 | 0 | 0 | 112.3 | V220 | V220-Q222 PolarHBondContact O-N 2.89Š|
| 223 | V | 82.4 | Confident | 85.8 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -48.2 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | D221 | D221-V223 VanDerWaalsContact C-N 3.26Å; D221-V223 PolarHBondContact O-N 3.38Å |
| 224 | T | 81.6 | Confident | 85.7 | Confident | 88 Ų | 88 | 69 Ų | 69 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -14.3 | -173.9 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | D221 V226 | D221-T224 WeakPolarHBondContact CB-OG1 3.21Å; D221-T224 WeakPolarHBondContact OD2-CG2 3.35Å; D221-T224 PolarHBondContact OD2-OG1 3.16Å; T224-V226 PolarHBondContact O-N 3.47Å; T224-V226 PolarHBondContact OG1-N 2.91Å |
| 225 | G | 79 | Confident | 85.9 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | trans | 71.3 | 0 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | D221 | D221-G225 WeakPolarHBondContact O-CA 3.43Å; D221-G225 PolarHBondContact O-N 2.94Å | ||
| 226 | V | 81.3 | Confident | 85.8 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | trans | -84.3 | 138.4 | -175.1 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | K196 D221 T224 R228 | K196-V226 HydrophobicContact CB-CG1 4.48Å; K196-V226 HydrophobicContact CD-CG1 3.96Å; K196-V226 HydrophobicContact CG-CG1 4.37Å; D221-V226 WeakPolarHBondContact CB-O 3.39Å; D221-V226 PolarHBondContact N-O 3.23Å; T224-V226 PolarHBondContact O-N 3.47Å; T224-V226 PolarHBondContact OG1-N 2.91Å; V226-R228 PolarHBondContact O-N 3.49Å | ||
| 227 | S | 84 | Confident | 85.6 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 15% | 0.154 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 128 | 173.3 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | K196 G229 | K196-S227 WeakPolarHBondContact O-CB 3.16Å; K196-S227 PolarHBondContact O-OG 3.33Å; S227-G229 PolarHBondContact O-N 3.32Å; S227-G229 VanDerWaalsContact O-N 3.13Å |
| 228 | R | 83.4 | Confident | 85.4 | Confident | 169 Ų | 169 | 66 Ų | 66 | 64% | 0.638 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 4.4 | 176.6 | -64.5 | -173.3 | 65 | 138.8 | 0.6 | 113.3 | L219 D221 V226 V230 | L219-R228 HydrophobicContact CB-CB 4.46Å; L219-R228 WeakPolarHBondContact O-CB 3.2Å; L219-R228 PolarHBondContact O-N 2.99Å; D221-R228 HydrophobicContact CB-CG 4.01Å; V226-R228 PolarHBondContact O-N 3.49Å; R228-V230 PolarHBondContact O-N 2.97Å |
| 229 | G | 84.2 | Confident | 85.3 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 9% | 0.093 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.1 | 19.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S192 G193 L194 S227 | S192-G229 CarbonylContact C-O 3.27Å; S192-G229 WeakPolarHBondContact CA-O 3.5Å; G193-G229 PolarHBondContact N-O 2.9Å; L194-G229 PolarHBondContact N-O 3.1Å; L194-G229 WeakPolarHBondContact O-CA 3.37Å; S227-G229 PolarHBondContact O-N 3.32Å; S227-G229 VanDerWaalsContact O-N 3.13Å |
| 230 | V | 88.6 | Confident | 85.3 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.6 | -178.1 | 176.1 | 0 | 0 | 0 | 0 | 109.7 | Y190 V191 L219 R228 F232 | Y190-V230 HydrophobicContact CD2-CG1 4.05Å; Y190-V230 HydrophobicContact CE2-CG1 3.25Å; Y190-V230 WeakPolarHBondContact OH-CG2 3.34Å; V191-V230 CarbonylContact O-C 3.56Å; V191-V230 VanDerWaalsContact O-CA 3.29Å; V191-V230 WeakPolarHBondContact O-CA 3.45Å; L219-V230 HydrophobicContact CB-CB 4.5Å; L219-V230 PolarHBondContact N-O 3.46Å; R228-V230 PolarHBondContact O-N 2.97Å; V230-F232 HydrophobicContact CG1-CE2 4.4Å |
| 231 | G | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V191 R217 | V191-G231 PolarHBondContact N-O 3.45Å; V191-G231 PolarHBondContact O-N 2.97Å; R217-G231 CarbonylContact O-C 3.54Å; R217-G231 WeakPolarHBondContact O-CA 3.16Å |
| 232 | F | 91.3 | Very high | 85.5 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.4 | 172 | -68.7 | -89.5 | 0 | 0 | 0 | 108.9 | L189 Y190 S216 R217 L219 V230 A265 | L189-F232 WeakPolarHBondContact O-CA 3.49Å; Y190-F232 HydrophobicContact CD2-CD1 4.39Å; Y190-F232 AromaticContact CD2-CE1 3.68Å; Y190-F232 HydrophobicContact CD2-CE1 3.68Å; Y190-F232 HydrophobicContact CD2-CE2 4.43Å; Y190-F232 AromaticContact CD2-CZ 3.71Å; Y190-F232 HydrophobicContact CD2-CZ 3.71Å; Y190-F232 HydrophobicContact CE2-CZ 4.12Å; S216-F232 CarbonylContact C-O 3.55Å; R217-F232 PolarHBondContact N-O 3.07Å; R217-F232 PolarHBondContact O-N 3Å; L219-F232 HydrophobicContact CD1-CD2 3.33Å; L219-F232 HydrophobicContact CD1-CE2 3.33Å; L219-F232 HydrophobicContact CD2-CE2 3.99Å; L219-F232 HydrophobicContact CG-CE2 4.31Å; V230-F232 HydrophobicContact CG1-CE2 4.4Å; F232-A265 HydrophobicContact CD1-CB 4.03Å; F232-A265 HydrophobicContact CE1-CB 4.12Å |
| 233 | I | 90.9 | Very high | 85.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.9 | 177.4 | -58.4 | 178 | 0 | 0 | 0 | 107.5 | N188 L189 V191 L203 F207 I213 T215 F235 | N188-I233 CarbonylContact C-O 3.6Å; L189-I233 HydrophobicContact CB-CB 4.48Å; L189-I233 PolarHBondContact N-O 3.33Å; L189-I233 PolarHBondContact O-N 2.88Å; V191-I233 HydrophobicContact CG2-CD1 3.88Å; V191-I233 HydrophobicContact CG2-CG1 4.17Å; L203-I233 HydrophobicContact CD1-CD1 3.89Å; L203-I233 HydrophobicContact CD2-CD1 4Å; L203-I233 HydrophobicContact CD2-CG1 4Å; L203-I233 HydrophobicContact CG-CD1 3.72Å; L203-I233 HydrophobicContact CG-CG1 4.24Å; F207-I233 HydrophobicContact CB-CD1 3.74Å; F207-I233 HydrophobicContact CD1-CD1 3.5Å; F207-I233 VanDerWaalsContact CD1-CD1 3.5Å; F207-I233 HydrophobicContact CD2-CD1 3.31Å; F207-I233 HydrophobicContact CE1-CD1 3.82Å; F207-I233 HydrophobicContact CE2-CD1 3.65Å; F207-I233 HydrophobicContact CG-CD1 3.21Å; F207-I233 HydrophobicContact CZ-CD1 3.89Å; I213-I233 HydrophobicContact CD1-CG2 4.24Å; I213-I233 HydrophobicContact CG1-CG2 4.03Å; I213-I233 HydrophobicContact CG2-CG2 3.94Å; T215-I233 CarbonylContact O-C 3.56Å; T215-I233 WeakPolarHBondContact O-CA 3.45Å; I233-F235 HydrophobicContact CG2-CD2 4Å; I233-F235 HydrophobicContact CG2-CE2 3.67Å; I233-F235 HydrophobicContact CG2-CZ 4.24Å |
| 234 | R | 87.8 | Confident | 86.2 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.4 | 172.3 | -179.4 | 168.5 | -170.1 | 166.4 | 3.5 | 108.8 | N188 I214 T215 | N188-R234 WeakPolarHBondContact OD1-CB 3.3Å; N188-R234 WeakPolarHBondContact OD1-CD 3.41Å; N188-R234 WeakPolarHBondContact OD1-CG 3.41Å; N188-R234 PolarHBondContact OD1-NE 3.44Å; I214-R234 HydrophobicContact CB-CB 4.5Å; I214-R234 HydrophobicContact CB-CG 4.24Å; I214-R234 PolarHBondContact N-O 2.92Å; T215-R234 PolarHBondContact N-O 3.22Å; T215-R234 PolarHBondContact O-N 3.05Å; T215-R234 VanDerWaalsContact OG1-CB 3.24Å; T215-R234 WeakPolarHBondContact OG1-CB 3.03Å |
| 235 | F | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 162.5 | 171.7 | -78.8 | -86.1 | 0 | 0 | 0 | 111.6 | A187 L189 F207 R212 I213 I233 E240 A241 A244 | A187-F235 HydrophobicContact CB-CB 4.25Å; A187-F235 WeakPolarHBondContact CB-O 3.44Å; A187-F235 PolarHBondContact O-N 3.36Å; L189-F235 HydrophobicContact CD1-CD2 3.76Å; L189-F235 HydrophobicContact CD1-CE2 3.48Å; L189-F235 VanDerWaalsContact CD1-CE2 3.48Å; L189-F235 HydrophobicContact CG-CD2 4.13Å; L189-F235 HydrophobicContact CG-CE2 4.29Å; F207-F235 HydrophobicContact CB-CZ 3.92Å; F207-F235 HydrophobicContact CD1-CE2 4.01Å; F207-F235 AromaticContact CD1-CZ 3.97Å; F207-F235 HydrophobicContact CD1-CZ 3.97Å; F207-F235 HydrophobicContact CG-CZ 4.46Å; F207-F235 WeakPolarHBondContact O-CE1 3.29Å; F207-F235 WeakPolarHBondContact O-CZ 3.19Å; R212-F235 CarbonylContact O-C 3.58Å; I213-F235 HydrophobicContact CG1-CD1 4.32Å; I213-F235 HydrophobicContact CG1-CE1 3.91Å; I213-F235 HydrophobicContact CG1-CZ 4.23Å; I233-F235 HydrophobicContact CG2-CD2 4Å; I233-F235 HydrophobicContact CG2-CE2 3.67Å; I233-F235 HydrophobicContact CG2-CZ 4.24Å; F235-E240 HydrophobicContact CD1-CB 4.12Å; F235-A241 HydrophobicContact CB-CB 4.05Å; F235-A241 HydrophobicContact CD2-CB 3.89Å; F235-A241 HydrophobicContact CG-CB 4.19Å; F235-A244 HydrophobicContact CE2-CB 3.86Å; F235-A244 HydrophobicContact CZ-CB 3.8Å |
| 236 | D | 82.4 | Confident | 86.8 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -63 | -51.1 | 171.5 | -169.7 | -14.9 | 0 | 0 | 0 | 110.4 | R178 R212 I214 | R178-D236 VanDerWaalsContact CZ-CG 3.41Å; R178-D236 IonicContact CZ-OD1 2.83Å; R178-D236 IonicContact CZ-OD2 3.54Å; R178-D236 VanDerWaalsContact CZ-OD2 3.24Å; R178-D236 IonicContact NH1-OD1 2.75Å; R178-D236 PolarHBondContact NH1-OD1 3.13Å; R178-D236 IonicContact NH1-OD2 3.25Å; R178-D236 PolarHBondContact NH1-OD2 3.3Å; R178-D236 VanDerWaalsContact NH1-OD2 3.17Å; R178-D236 VanDerWaalsContact NH2-CG 3.32Å; R178-D236 IonicContact NH2-OD1 3.86Å; R178-D236 IonicContact NH2-OD2 2.58Å; R178-D236 PolarHBondContact NH2-OD2 2.84Å; R212-D236 HydrophobicContact CB-CB 4.02Å; R212-D236 WeakPolarHBondContact O-CB 3.32Å; R212-D236 PolarHBondContact O-N 3.06Å; I214-D236 HydrophobicContact CD1-CB 4.08Å; I214-D236 HydrophobicContact CG1-CB 4.32Å |
| 237 | R | 84 | Confident | 86.8 | Confident | 142 Ų | 142 | 56.3 Ų | 56.3 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -118.7 | 144.1 | -176 | -67.2 | -176.9 | -85.1 | -164.9 | -4 | 111 | V239 E240 A241 | R237-V239 VanDerWaalsContact C-N 3.28Å; R237-V239 PolarHBondContact O-N 2.83Å; R237-E240 HydrophobicContact CB-CB 4.48Å; R237-E240 HydrophobicContact CB-CG 4.08Å; R237-E240 IonicContact CZ-OE1 3.19Å; R237-E240 VanDerWaalsContact CZ-OE1 3.25Å; R237-E240 IonicContact NE-OE1 2.78Å; R237-E240 PolarHBondContact NE-OE1 3.09Å; R237-E240 IonicContact NH2-OE1 2.84Å; R237-E240 PolarHBondContact NH2-OE1 2.76Å; R237-E240 PolarHBondContact O-N 2.7Å; R237-A241 PolarHBondContact O-N 3.39Å |
| 238 | R | 84.6 | Confident | 86.7 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 33% | 0.328 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 173.1 | -179.3 | -177.8 | -175.5 | 140.1 | 6.8 | 112.4 | S183 D186 E240 A241 E242 F264 | S183-R238 VanDerWaalsContact O-CB 3.25Å; S183-R238 WeakPolarHBondContact O-CB 3.31Å; S183-R238 PolarHBondContact O-N 2.83Å; S183-R238 VanDerWaalsContact O-N 3.09Å; D186-R238 IonicContact OD2-CZ 3.24Å; D186-R238 IonicContact OD2-NH1 2.69Å; D186-R238 PolarHBondContact OD2-NH1 2.77Å; R238-E240 VanDerWaalsContact C-N 3.35Å; R238-E240 PolarHBondContact O-N 2.74Å; R238-A241 CarbonylContact O-C 3.56Å; R238-A241 WeakPolarHBondContact O-CA 3.25Å; R238-A241 VanDerWaalsContact O-CB 3.26Å; R238-A241 WeakPolarHBondContact O-CB 3.45Å; R238-A241 PolarHBondContact O-N 2.79Å; R238-E242 HydrophobicContact CG-CG 4.42Å; R238-E242 WeakPolarHBondContact O-CG 3.28Å; R238-E242 PolarHBondContact O-N 3.5Å; R238-F264 HydrophobicContact CG-CE1 4.25Å; R238-F264 HydrophobicContact CG-CZ 4.34Å |
| 239 | V | 86.8 | Confident | 86.5 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 179.8 | -179 | 0 | 0 | 0 | 0 | 110.9 | R237 A241 E242 E243 | R237-V239 VanDerWaalsContact C-N 3.28Å; R237-V239 PolarHBondContact O-N 2.83Å; V239-A241 VanDerWaalsContact C-N 3.26Å; V239-A241 PolarHBondContact O-N 3.43Å; V239-E242 WeakPolarHBondContact O-CB 3.26Å; V239-E242 PolarHBondContact O-N 3.34Å; V239-E243 PolarHBondContact O-N 2.99Å |
| 240 | E | 89.1 | Confident | 85.8 | Confident | 20 Ų | 20 | 54 Ų | 54 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 175.1 | -65.2 | 172.5 | -174.7 | 0 | 0 | 111.4 | R212 F235 R237 R238 E243 A244 | R212-E240 PolarHBondContact N-OE2 3.48Å; F235-E240 HydrophobicContact CD1-CB 4.12Å; R237-E240 HydrophobicContact CB-CB 4.48Å; R237-E240 HydrophobicContact CB-CG 4.08Å; R237-E240 IonicContact CZ-OE1 3.19Å; R237-E240 VanDerWaalsContact CZ-OE1 3.25Å; R237-E240 IonicContact NE-OE1 2.78Å; R237-E240 PolarHBondContact NE-OE1 3.09Å; R237-E240 IonicContact NH2-OE1 2.84Å; R237-E240 PolarHBondContact NH2-OE1 2.76Å; R237-E240 PolarHBondContact O-N 2.7Å; R238-E240 VanDerWaalsContact C-N 3.35Å; R238-E240 PolarHBondContact O-N 2.74Å; E240-E243 PolarHBondContact O-N 3.09Å; E240-A244 WeakPolarHBondContact O-CB 3.19Å; E240-A244 PolarHBondContact O-N 2.85Å |
| 241 | A | 87.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A187 L189 F235 R237 R238 V239 A244 I245 F264 | A187-A241 HydrophobicContact CB-CB 4.45Å; L189-A241 HydrophobicContact CD1-CB 4.19Å; L189-A241 HydrophobicContact CD2-CB 3.87Å; L189-A241 HydrophobicContact CG-CB 4.06Å; F235-A241 HydrophobicContact CB-CB 4.05Å; F235-A241 HydrophobicContact CD2-CB 3.89Å; F235-A241 HydrophobicContact CG-CB 4.19Å; R237-A241 PolarHBondContact O-N 3.39Å; R238-A241 CarbonylContact O-C 3.56Å; R238-A241 WeakPolarHBondContact O-CA 3.25Å; R238-A241 VanDerWaalsContact O-CB 3.26Å; R238-A241 WeakPolarHBondContact O-CB 3.45Å; R238-A241 PolarHBondContact O-N 2.79Å; V239-A241 VanDerWaalsContact C-N 3.26Å; V239-A241 PolarHBondContact O-N 3.43Å; A241-A244 PolarHBondContact O-N 2.77Å; A241-I245 VanDerWaalsContact O-CG1 3.3Å; A241-I245 WeakPolarHBondContact O-CG1 3.37Å; A241-I245 PolarHBondContact O-N 2.92Å; A241-F264 HydrophobicContact CB-CE1 4.34Å |
| 242 | E | 88.2 | Confident | 83.6 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.5 | -72.4 | 175.8 | 120.5 | 0 | 0 | 111.9 | R238 V239 A244 I245 K246 F264 | R238-E242 HydrophobicContact CG-CG 4.42Å; R238-E242 WeakPolarHBondContact O-CG 3.28Å; R238-E242 PolarHBondContact O-N 3.5Å; V239-E242 WeakPolarHBondContact O-CB 3.26Å; V239-E242 PolarHBondContact O-N 3.34Å; E242-A244 VanDerWaalsContact C-N 3.35Å; E242-I245 PolarHBondContact O-N 3.37Å; E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 3.13Å; E242-F264 HydrophobicContact CG-CE2 4.19Å; E242-F264 HydrophobicContact CG-CZ 3.51Å |
| 243 | E | 87.9 | Confident | 82.2 | Confident | 110 Ų | 110 | 62 Ų | 62 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 174.9 | -67.7 | -173.7 | 111.9 | 0 | 0 | 111.3 | V239 E240 I245 K246 G247 | V239-E243 PolarHBondContact O-N 2.99Å; E240-E243 PolarHBondContact O-N 3.09Å; E243-I245 PolarHBondContact O-N 3.23Å; E243-K246 PolarHBondContact O-N 3.06Å; E243-G247 PolarHBondContact O-N 3.18Å |
| 244 | A | 88.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L189 F207 Y210 F235 E240 A241 E242 G247 L248 | L189-A244 HydrophobicContact CD1-CB 4.01Å; F207-A244 HydrophobicContact CD1-CB 4.22Å; Y210-A244 HydrophobicContact CD1-CB 4.37Å; Y210-A244 HydrophobicContact CD2-CB 4.24Å; Y210-A244 HydrophobicContact CG-CB 3.83Å; F235-A244 HydrophobicContact CE2-CB 3.86Å; F235-A244 HydrophobicContact CZ-CB 3.8Å; E240-A244 WeakPolarHBondContact O-CB 3.19Å; E240-A244 PolarHBondContact O-N 2.85Å; A241-A244 PolarHBondContact O-N 2.77Å; E242-A244 VanDerWaalsContact C-N 3.35Å; A244-G247 PolarHBondContact O-N 3.28Å; A244-L248 WeakPolarHBondContact O-CB 3.36Å; A244-L248 PolarHBondContact O-N 3.29Å |
| 245 | I | 88.1 | Confident | 79 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 174 | -68.8 | 160.6 | 0 | 0 | 0 | 110.2 | L189 A241 E242 E243 G247 N249 V262 F264 | L189-I245 HydrophobicContact CD1-CG1 4.2Å; L189-I245 HydrophobicContact CD2-CD1 3.48Å; L189-I245 VanDerWaalsContact CD2-CD1 3.48Å; L189-I245 HydrophobicContact CD2-CG1 3.72Å; A241-I245 VanDerWaalsContact O-CG1 3.3Å; A241-I245 WeakPolarHBondContact O-CG1 3.37Å; A241-I245 PolarHBondContact O-N 2.92Å; E242-I245 PolarHBondContact O-N 3.37Å; E243-I245 PolarHBondContact O-N 3.23Å; I245-G247 VanDerWaalsContact C-N 3.32Å; I245-G247 PolarHBondContact O-N 2.79Å; I245-N249 HydrophobicContact CG2-CB 4.39Å; I245-N249 WeakPolarHBondContact O-CB 2.91Å; I245-N249 PolarHBondContact O-N 3.41Å; I245-N249 VanDerWaalsContact O-N 3.13Å; I245-V262 HydrophobicContact CG1-CB 4.42Å; I245-V262 HydrophobicContact CG1-CG1 3.78Å; I245-F264 HydrophobicContact CD1-CD1 4.13Å; I245-F264 HydrophobicContact CD1-CD2 3.67Å; I245-F264 HydrophobicContact CD1-CE1 3.96Å; I245-F264 HydrophobicContact CD1-CE2 3.49Å; I245-F264 VanDerWaalsContact CD1-CE2 3.49Å; I245-F264 HydrophobicContact CD1-CG 4Å; I245-F264 HydrophobicContact CD1-CZ 3.67Å |
| 246 | K | 85.9 | Confident | 77.7 | Confident | 180 Ų | 180 | 68.3 Ų | 68.3 | 78% | 0.783 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.2 | -36.1 | -178.4 | -74.3 | 176.4 | -179.1 | 178.5 | 0 | 112.9 | E242 E243 | E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 3.13Å; E243-K246 PolarHBondContact O-N 3.06Å |
| 247 | G | 81 | Confident | 76.6 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -86.8 | -36.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | E243 A244 I245 | E243-G247 PolarHBondContact O-N 3.18Å; A244-G247 PolarHBondContact O-N 3.28Å; I245-G247 VanDerWaalsContact C-N 3.32Å; I245-G247 PolarHBondContact O-N 2.79Å |
| 248 | L | 80.9 | Confident | 75.7 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -104.2 | -17.2 | -172.4 | -66.6 | 174.7 | 0 | 0 | 0 | 114.1 | L206 F207 Y210 A244 C250 Q251 V262 | L206-L248 HydrophobicContact CD1-CD2 4.44Å; L206-L248 HydrophobicContact CD2-CD2 4.48Å; L206-L248 HydrophobicContact CG-CD1 4.46Å; L206-L248 HydrophobicContact CG-CD2 4.25Å; F207-L248 HydrophobicContact CD1-CD1 3.44Å; F207-L248 VanDerWaalsContact CD1-CD1 3.44Å; F207-L248 HydrophobicContact CD2-CD1 3.82Å; F207-L248 HydrophobicContact CE1-CB 4.48Å; F207-L248 HydrophobicContact CE1-CD1 3.39Å; F207-L248 HydrophobicContact CE2-CD1 3.77Å; F207-L248 HydrophobicContact CG-CD1 3.68Å; F207-L248 HydrophobicContact CZ-CB 4.42Å; F207-L248 HydrophobicContact CZ-CD1 3.56Å; Y210-L248 HydrophobicContact CD2-CD1 3.63Å; Y210-L248 HydrophobicContact CD2-CG 4.01Å; Y210-L248 HydrophobicContact CE2-CD1 3.32Å; Y210-L248 HydrophobicContact CE2-CD2 3.57Å; Y210-L248 HydrophobicContact CE2-CG 3.25Å; Y210-L248 WeakPolarHBondContact OH-CD2 3.36Å; A244-L248 WeakPolarHBondContact O-CB 3.36Å; A244-L248 PolarHBondContact O-N 3.29Å; L248-C250 PolarHBondContact O-N 3.48Å; L248-Q251 WeakPolarHBondContact O-CB 3.38Å; L248-Q251 PolarHBondContact O-N 3.13Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; L248-V262 HydrophobicContact CB-CG2 3.99Å |
| 249 | N | 81.1 | Confident | 75.4 | Confident | 59 Ų | 59 | 72 Ų | 72 | 32% | 0.316 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 131.5 | 178.3 | -172.4 | 44.5 | 0 | 0 | 0 | 110.2 | I245 Q251 T261 V262 | I245-N249 HydrophobicContact CG2-CB 4.39Å; I245-N249 WeakPolarHBondContact O-CB 2.91Å; I245-N249 PolarHBondContact O-N 3.41Å; I245-N249 VanDerWaalsContact O-N 3.13Å; N249-Q251 VanDerWaalsContact C-N 3.28Å; N249-Q251 PolarHBondContact O-N 2.92Å; N249-T261 WeakPolarHBondContact OD1-CA 3.45Å; N249-V262 HydrophobicContact CB-CB 4.27Å; N249-V262 PolarHBondContact OD1-N 3.28Å; N249-V262 PolarHBondContact OD1-O 2.75Å |
| 250 | C | 68.1 | Low | 75.3 | Confident | 90 Ų | 90 | 67.9 Ų | 67.9 | 61% | 0.608 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 10 | -173.1 | -58.6 | 0 | 0 | 0 | 0 | 115.9 | L248 I260 | L248-C250 PolarHBondContact O-N 3.48Å; C250-I260 WeakPolarHBondContact CA-O 3.47Å; C250-I260 PolarHBondContact N-O 3.46Å |
| 251 | Q | 70.4 | Confident | 75.1 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | trans | -79.6 | 133.7 | 174.1 | -155.9 | 177.5 | 27.1 | 0 | 0 | 110.6 | L248 N249 P253 I260 | L248-Q251 WeakPolarHBondContact O-CB 3.38Å; L248-Q251 PolarHBondContact O-N 3.13Å; L248-Q251 VanDerWaalsContact O-N 3.16Å; N249-Q251 VanDerWaalsContact C-N 3.28Å; N249-Q251 PolarHBondContact O-N 2.92Å; Q251-P253 WeakPolarHBondContact O-CD 3.33Å; Q251-I260 PolarHBondContact O-N 3.04Å | ||
| 252 | K | 64 | Low | 75.2 | Confident | 151 Ų | 151 | 68.6 Ų | 68.6 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | trans | -90.4 | 103.1 | 172.9 | -70.6 | -177.7 | -178.4 | -178.7 | 0 | 108.8 | P259 | K252-P259 HydrophobicContact CG-CB 4.04Š| ||
| 253 | P | 60.7 | Low | 75.2 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | trans | -66 | 150.1 | 173.8 | 33.6 | -40.1 | 0 | 0 | 0 | 109 | Q251 G255 A256 I260 | Q251-P253 WeakPolarHBondContact O-CD 3.33Å; P253-G255 PolarHBondContact O-N 2.81Å; P253-A256 HydrophobicContact CG-CB 3.54Å; P253-A256 PolarHBondContact O-N 2.89Å; P253-I260 HydrophobicContact CB-CD1 3.9Å; P253-I260 HydrophobicContact CG-CD1 3.44Å; P253-I260 VanDerWaalsContact CG-CD1 3.44Å; P253-I260 HydrophobicContact CG-CG1 3.72Å | ||
| 254 | P | 55.8 | Low | 75.2 | Confident | 136 Ų | 136 | 69.8 Ų | 69.8 | 88% | 0.883 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 115.5 | 175.8 | 23.7 | -31.3 | 0 | 0 | 0 | 109.5 | ||
| 255 | G | 56.5 | Low | 74.9 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 73% | 0.732 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.8 | -1.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | P253 | P253-G255 PolarHBondContact O-N 2.81Š|
| 256 | A | 60.4 | Low | 74.3 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 16% | 0.157 | 42% | 0.421 | C | S | . | . | trans | -96.5 | 135.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P195 P253 E258 | P195-A256 HydrophobicContact CB-CB 4.26Å; P195-A256 HydrophobicContact CG-CB 4.1Å; P253-A256 HydrophobicContact CG-CB 3.54Å; P253-A256 PolarHBondContact O-N 2.89Å; A256-E258 VanDerWaalsContact C-N 3.31Å; A256-E258 WeakPolarHBondContact CB-O 3.49Å | ||
| 257 | T | 59.6 | Low | 73.1 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 90% | 0.902 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -73.9 | -26.5 | 173 | -37.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 258 | E | 65.3 | Low | 71.8 | Confident | 133 Ų | 133 | 71.9 Ų | 71.9 | 62% | 0.621 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -115.2 | 146.4 | -178.9 | -66.7 | -172 | 121.9 | 0 | 0 | 111.1 | A256 | A256-E258 VanDerWaalsContact C-N 3.31Å; A256-E258 WeakPolarHBondContact CB-O 3.49Å |
| 259 | P | 77.9 | Confident | 70.4 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 34% | 0.344 | 44% | 0.443 | S | S | . | . | trans | -64.6 | 139.8 | 172.6 | 28 | -33.2 | 0 | 0 | 0 | 110.6 | K252 T261 | K252-P259 HydrophobicContact CG-CB 4.04Å; P259-T261 PolarHBondContact O-N 2.91Å | ||
| 260 | I | 84.5 | Confident | 68.9 | Low | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.005 | 44% | 0.443 | C | S | . | . | trans | -64.3 | 129.1 | 172.8 | -65.8 | 169.3 | 0 | 0 | 0 | 108.1 | V191 S192 L194 L206 C250 Q251 P253 V262 | V191-I260 HydrophobicContact CG1-CG2 3.48Å; V191-I260 VanDerWaalsContact CG1-CG2 3.48Å; S192-I260 CarbonylContact O-C 3.45Å; S192-I260 WeakPolarHBondContact O-CA 3.38Å; L194-I260 HydrophobicContact CD2-CD1 3.95Å; L194-I260 HydrophobicContact CD2-CG1 4.09Å; L206-I260 HydrophobicContact CD2-CD1 4.08Å; C250-I260 WeakPolarHBondContact CA-O 3.47Å; C250-I260 PolarHBondContact N-O 3.46Å; Q251-I260 PolarHBondContact O-N 3.04Å; P253-I260 HydrophobicContact CB-CD1 3.9Å; P253-I260 HydrophobicContact CG-CD1 3.44Å; P253-I260 VanDerWaalsContact CG-CD1 3.44Å; P253-I260 HydrophobicContact CG-CG1 3.72Å; I260-V262 HydrophobicContact CG2-CG2 3.75Å | ||
| 261 | T | 85.2 | Confident | 67.9 | Low | 36 Ų | 36 | 79 Ų | 79 | 22% | 0.221 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124 | 170.1 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | V191 S192 N249 P259 K263 | V191-T261 CarbonylContact C-O 3.59Å; V191-T261 WeakPolarHBondContact CA-O 3.45Å; S192-T261 PolarHBondContact N-O 3.36Å; S192-T261 PolarHBondContact O-N 2.98Å; S192-T261 WeakPolarHBondContact OG-CB 3.49Å; N249-T261 WeakPolarHBondContact OD1-CA 3.45Å; P259-T261 PolarHBondContact O-N 2.91Å; T261-K263 HydrophobicContact CG2-CD 4.02Å; T261-K263 HydrophobicContact CG2-CG 4.06Å |
| 262 | V | 89.3 | Confident | 66.9 | Low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.8 | 177.6 | -170.1 | 0 | 0 | 0 | 0 | 108.5 | L189 Y190 V191 F207 I245 L248 N249 I260 | L189-V262 HydrophobicContact CB-CG1 4.24Å; L189-V262 HydrophobicContact CD1-CG1 3.71Å; L189-V262 HydrophobicContact CG-CG1 4.44Å; Y190-V262 WeakPolarHBondContact O-CA 3.24Å; V191-V262 HydrophobicContact CG1-CG2 4.39Å; V191-V262 HydrophobicContact CG2-CG1 4.37Å; F207-V262 HydrophobicContact CE1-CG1 3.9Å; F207-V262 HydrophobicContact CE1-CG2 3.95Å; F207-V262 HydrophobicContact CZ-CG1 4.36Å; F207-V262 HydrophobicContact CZ-CG2 3.68Å; I245-V262 HydrophobicContact CG1-CB 4.42Å; I245-V262 HydrophobicContact CG1-CG1 3.78Å; L248-V262 HydrophobicContact CB-CG2 3.99Å; N249-V262 HydrophobicContact CB-CB 4.27Å; N249-V262 PolarHBondContact OD1-N 3.28Å; N249-V262 PolarHBondContact OD1-O 2.75Å; I260-V262 HydrophobicContact CG2-CG2 3.75Å |
| 263 | K | 88 | Confident | 65.9 | Low | 127 Ų | 127 | 76 Ų | 76 | 55% | 0.552 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 162 | -179.9 | -69.4 | 179.1 | -179.6 | 175.5 | 0 | 110.3 | L189 Y190 T261 A265 | L189-K263 CarbonylContact C-O 3.56Å; L189-K263 VanDerWaalsContact CA-O 3.31Å; L189-K263 WeakPolarHBondContact CA-O 3.48Å; Y190-K263 PolarHBondContact N-O 3.08Å; Y190-K263 PolarHBondContact O-N 3.11Å; T261-K263 HydrophobicContact CG2-CD 4.02Å; T261-K263 HydrophobicContact CG2-CG 4.06Å; K263-A265 PolarHBondContact O-N 3.01Å |
| 264 | F | 88.6 | Confident | 64.9 | Low | 82 Ų | 82 | 82.7 Ų | 82.7 | 36% | 0.36 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 130.6 | 168.9 | -73.5 | -70.9 | 0 | 0 | 0 | 110.9 | D186 L189 R238 A241 E242 I245 | D186-F264 VanDerWaalsContact O-CD1 3.24Å; D186-F264 WeakPolarHBondContact O-CD1 3.19Å; D186-F264 WeakPolarHBondContact O-CE1 3.33Å; L189-F264 HydrophobicContact CD2-CD1 3.88Å; L189-F264 HydrophobicContact CD2-CE1 4.11Å; R238-F264 HydrophobicContact CG-CE1 4.25Å; R238-F264 HydrophobicContact CG-CZ 4.34Å; A241-F264 HydrophobicContact CB-CE1 4.34Å; E242-F264 HydrophobicContact CG-CE2 4.19Å; E242-F264 HydrophobicContact CG-CZ 3.51Å; I245-F264 HydrophobicContact CD1-CD1 4.13Å; I245-F264 HydrophobicContact CD1-CD2 3.67Å; I245-F264 HydrophobicContact CD1-CE1 3.96Å; I245-F264 HydrophobicContact CD1-CE2 3.49Å; I245-F264 VanDerWaalsContact CD1-CE2 3.49Å; I245-F264 HydrophobicContact CD1-CG 4Å; I245-F264 HydrophobicContact CD1-CZ 3.67Å |
| 265 | A | 82.5 | Confident | 64.5 | Low | 20 Ų | 20 | 78.9 Ų | 78.9 | 17% | 0.165 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 130.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N188 F232 K263 N267 | N188-A265 HydrophobicContact CB-CB 3.88Å; N188-A265 PolarHBondContact O-N 2.81Å; F232-A265 HydrophobicContact CD1-CB 4.03Å; F232-A265 HydrophobicContact CE1-CB 4.12Å; K263-A265 PolarHBondContact O-N 3.01Å; A265-N267 PolarHBondContact O-N 3.03Å |
| 266 | N | 75.1 | Confident | 64.2 | Low | 110 Ų | 110 | 81.9 Ų | 81.9 | 59% | 0.588 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 116.4 | 171 | -168.8 | 4.9 | 0 | 0 | 0 | 109.2 | P268 K271 | N266-P268 WeakPolarHBondContact O-CD 3.41Å; N266-K271 WeakPolarHBondContact ND2-CE 3.11Å |
| 267 | N | 61 | Low | 63.3 | Low | 52 Ų | 52 | 87.5 Ų | 87.5 | 28% | 0.278 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 116.9 | 175.1 | -169.1 | -16.6 | 0 | 0 | 0 | 108.9 | A265 S269 Q270 | A265-N267 PolarHBondContact O-N 3.03Å; N267-S269 PolarHBondContact O-N 3.38Å; N267-S269 WeakPolarHBondContact OD1-CB 3.33Å; N267-S269 PolarHBondContact OD1-N 3.12Å; N267-S269 PolarHBondContact OD1-OG 3.3Å; N267-Q270 HydrophobicContact CB-CB 4.41Å; N267-Q270 HydrophobicContact CB-CG 4.34Å; N267-Q270 PolarHBondContact O-N 2.64Å |
| 268 | P | 53.9 | Low | 62.5 | Low | 107 Ų | 107 | 85.8 Ų | 85.8 | 70% | 0.695 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.9 | 177.2 | 23.3 | -33.5 | 0 | 0 | 0 | 112.7 | N266 | N266-P268 WeakPolarHBondContact O-CD 3.41Š|
| 269 | S | 50.1 | Low | 61.4 | Low | 94 Ų | 94 | 87.9 Ų | 87.9 | 66% | 0.657 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20 | 177.6 | -49.3 | 0 | 0 | 0 | 0 | 114.7 | N267 | N267-S269 PolarHBondContact O-N 3.38Å; N267-S269 WeakPolarHBondContact OD1-CB 3.33Å; N267-S269 PolarHBondContact OD1-N 3.12Å; N267-S269 PolarHBondContact OD1-OG 3.3Å |
| 270 | Q | 50.4 | Low | 59.5 | Low | 68 Ų | 68 | 91.8 Ų | 91.8 | 32% | 0.318 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -14.7 | -174.6 | -83.4 | -148.7 | 27.5 | 0 | 0 | 114.7 | D186 N267 T272 S273 | D186-Q270 PolarHBondContact OD1-NE2 2.96Å; D186-Q270 VanDerWaalsContact OD1-NE2 3.11Å; N267-Q270 HydrophobicContact CB-CB 4.41Å; N267-Q270 HydrophobicContact CB-CG 4.34Å; N267-Q270 PolarHBondContact O-N 2.64Å; Q270-T272 PolarHBondContact O-N 3.09Å; Q270-S273 PolarHBondContact O-N 2.95Å; Q270-S273 VanDerWaalsContact O-N 3.09Å |
| 271 | K | 47 | Very low | 57.1 | Low | 138 Ų | 138 | 102.3 Ų | 102.3 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.9 | -177 | -71.9 | -171.2 | 176.4 | -178.1 | 0 | 113.8 | N266 | N266-K271 WeakPolarHBondContact ND2-CE 3.11Š|
| 272 | T | 49.7 | Very low | 54.8 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 55% | 0.546 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -22.6 | -179.7 | -42.5 | 0 | 0 | 0 | 0 | 113.7 | I137 Q270 | I137-T272 HydrophobicContact CD1-CG2 3.81Å; Q270-T272 PolarHBondContact O-N 3.09Å |
| 273 | S | 42.3 | Very low | 51.9 | Low | 94 Ų | 94 | 115 Ų | 115 | 66% | 0.657 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -27.2 | -169.1 | -63.8 | 0 | 0 | 0 | 0 | 115.9 | Q270 | Q270-S273 PolarHBondContact O-N 2.95Å; Q270-S273 VanDerWaalsContact O-N 3.09Å |
| 274 | Q | 40.7 | Very low | 49.8 | Very low | 160 Ų | 160 | 114.8 Ų | 114.8 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -83.1 | -19 | -174.1 | -150.1 | 179.6 | 66.5 | 0 | 0 | 113.6 | L276 | Q274-L276 VanDerWaalsContact C-N 3.27Å; Q274-L276 PolarHBondContact O-N 3.09Å |
| 275 | A | 46.6 | Very low | 47.1 | Very low | 55 Ų | 55 | 118.2 Ų | 118.2 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -73.5 | -12.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 276 | L | 49.4 | Very low | 44.7 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 71% | 0.707 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -93.5 | -20.5 | -175.1 | -79.9 | 163.7 | 0 | 0 | 0 | 114.5 | Q274 | Q274-L276 VanDerWaalsContact C-N 3.27Å; Q274-L276 PolarHBondContact O-N 3.09Å |
| 277 | L | 42.5 | Very low | 42.6 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -93.4 | -18.6 | -169.3 | -150 | 69.7 | 0 | 0 | 0 | 114.7 | Q279 | L277-Q279 PolarHBondContact O-N 3.34Š|
| 278 | S | 41.7 | Very low | 41.3 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -77.8 | -1.1 | 175.5 | -78.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 279 | Q | 44.1 | Very low | 41 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -99.5 | 3.3 | -179.1 | -69.4 | -152.1 | -25.9 | 0 | 0 | 115.4 | L277 | L277-Q279 PolarHBondContact O-N 3.34Š|
| 280 | L | 37.4 | Very low | 40 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -106.4 | 4.9 | -175.7 | -77.1 | 167.9 | 0 | 0 | 0 | 115.9 | ||
| 281 | Y | 33.5 | Very low | 39.8 | Very low | 222 Ų | 222 | 144.9 Ų | 144.9 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -125.9 | 28.2 | -176.2 | -91.7 | -79.6 | 0 | 0 | 0 | 116 | ||
| 282 | Q | 36.3 | Very low | 39.4 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -124.6 | 79.3 | 168.3 | -77.5 | 166.8 | 11.8 | 0 | 0 | 110.4 | ||||
| 283 | S | 30.3 | Very low | 38.7 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -71.1 | 141.7 | 166.9 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 284 | P | 43.5 | Very low | 38.4 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -95.1 | 129.5 | -177.3 | 34.6 | -29 | 0 | 0 | 0 | 111.3 | ||||
| 285 | N | 30.6 | Very low | 38 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -161.1 | 105.6 | 155.9 | -133 | -6 | 0 | 0 | 0 | 112.4 | ||||
| 286 | R | 32.4 | Very low | 37.3 | Very low | 237 Ų | 237 | 153.8 Ų | 153.8 | 89% | 0.894 | 81% | 0.812 | S | S | * | * | 166.1 | 123.2 | 112.4 | -86.6 | -151.7 | 175.9 | -162.8 | 1.1 | 112.3 | |||||
| 287 | R | 32.3 | Very low | 36.7 | Very low | 230 Ų | 230 | 155.1 Ų | 155.1 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -76.7 | 151.7 | 160.9 | -79.9 | -179.4 | 156.9 | 170.2 | -5.2 | 110.5 | ||||
| 288 | Y | 31.8 | Very low | 36 | Very low | 226 Ų | 226 | 158 Ų | 158 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | -170.5 | 157.2 | 108.4 | -112.9 | -98.3 | 0 | 0 | 0 | 111.3 | |||||
| 289 | P | 48.3 | Very low | 35.4 | Very low | 116 Ų | 116 | 159 Ų | 159 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -116.6 | 171.9 | -160.3 | 38.5 | -22.6 | 0 | 0 | 0 | 115.2 | ||||
| 290 | G | 29.7 | Very low | 35 | Very low | 71 Ų | 71 | 160.3 Ų | 160.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 176.7 | 158.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 291 | P | 45 | Very low | 34.5 | Very low | 132 Ų | 132 | 160.1 Ų | 160.1 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | -125.3 | 178.3 | -110.4 | 39.6 | -28.3 | 0 | 0 | 0 | 118.1 | |||||
| 292 | L | 39.7 | Very low | 34.3 | Very low | 170 Ų | 170 | 156.5 Ų | 156.5 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -41.3 | 145.4 | 177 | -84.4 | 73.6 | 0 | 0 | 0 | 117.4 | ||||
| 293 | A | 33.8 | Very low | 34 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -157.8 | 153.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 294 | Q | 37.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -108.6 | 166.5 | -159.7 | -146 | 163.8 | -17.4 | 0 | 0 | 111.2 | ||||
| 295 | Q | 30.7 | Very low | 33.3 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 99.2 | 101.8 | 143.6 | -147.1 | 159.5 | 25.2 | 0 | 0 | 121 | ||||
| 296 | A | 32.6 | Very low | 33.3 | Very low | 82 Ų | 82 | 155.1 Ų | 155.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | 51.6 | 128.2 | 121.9 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 297 | Q | 36.3 | Very low | 33.4 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | 77.6 | 113.2 | 135.7 | -66.9 | -82.7 | -60.3 | 0 | 0 | 120.9 | ||||
| 298 | R | 29.1 | Very low | 33 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | 157.1 | 129.6 | 100.9 | -92.4 | -141.6 | 144.6 | -174.6 | -12.3 | 115 | |||||
| 299 | F | 29.6 | Very low | 32.9 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 58% | 0.575 | 77% | 0.766 | S | S | * | * | trans | 68.4 | 111.4 | 139.4 | -76.4 | -103.7 | 0 | 0 | 0 | 121.3 | ||||
| 300 | R | 33.8 | Very low | 31.8 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | 77.5 | 130.5 | 98.3 | -93.8 | -164.2 | 172.3 | 169.6 | 0.1 | 113 | |||||
| 301 | L | 27.4 | Very low | 31.6 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | -167.3 | 138.5 | 54.5 | -156 | 65.5 | 0 | 0 | 0 | 106.4 | |||||
| 302 | D | 29.3 | Very low | 30.7 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | -160.1 | 153.4 | 79 | -147.6 | -87.1 | 0 | 0 | 0 | 114.3 | |||||
| 303 | N | 29.9 | Very low | 30.1 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | trans | -81.9 | 142.1 | -168.9 | -100.9 | -11.6 | 0 | 0 | 0 | 111.1 | ||||
| 304 | L | 29.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | 65.2 | 110.4 | 77.3 | -104 | 169.9 | 0 | 0 | 0 | 115.4 | |||||
| 305 | L | 30.5 | Very low | 29.3 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | 179.2 | 144.1 | 133.2 | -92.8 | 155.6 | 0 | 0 | 0 | 106.4 | ||||
| 306 | N | 30.9 | Very low | 29.2 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | cis | -170 | 157.2 | -33.2 | 173.6 | 36.5 | 0 | 0 | 0 | 104.2 | ||||
| 307 | M | 33.2 | Very low | 29.7 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -36.2 | 150.1 | 176 | -61.9 | 172 | 167.5 | 0 | 0 | 116.1 | ||||
| 308 | A | 25.3 | Very low | 29.3 | Very low | 77 Ų | 77 | 150.9 Ų | 150.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 176.2 | 148.6 | 97.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 309 | Y | 28.6 | Very low | 29.3 | Very low | 228 Ų | 228 | 145.9 Ų | 145.9 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | 72.7 | 101 | 162.5 | -55.6 | -72.4 | 0 | 0 | 0 | 120.6 | ||||
| 310 | G | 26.1 | Very low | 29.4 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | 53.5 | 139.4 | 110.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 311 | V | 25 | Very low | 29.1 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | 106.7 | 99.7 | 152.4 | -169.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 312 | K | 26.6 | Very low | 29.1 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | 30.3 | 139.8 | 128.3 | -69.8 | -179.4 | 172.1 | 179.2 | 0 | 120.7 | |||||
| 313 | S | 27.3 | Very low | 29 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | 94 | 100.6 | 144.7 | -53.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 314 | R | 26.6 | Very low | 28.9 | Very low | 251 Ų | 251 | 142.9 Ų | 142.9 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | -142.3 | 96.7 | 124.2 | -72 | -150.4 | -125.5 | -141.7 | 6.8 | 111 | |||||
| 315 | F | 26.6 | Very low | 29 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -52.4 | 151.2 | 134.1 | -93.8 | -83.4 | 0 | 0 | 0 | 108 | ||||
| 316 | S | 29.3 | Very low | 28.9 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | cis | 176.4 | -166.3 | 36.6 | -108.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 317 | P | 43.1 | Very low | 28.8 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -123.3 | 177.3 | -40.5 | 29.6 | -8.3 | 0 | 0 | 0 | 109.1 | ||||
| 318 | M | 28.6 | Very low | 28.6 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | 173.8 | 143.7 | 62.7 | -147.7 | 170.7 | -169.1 | 0 | 0 | 109.8 | |||||
| 319 | A | 27.7 | Very low | 28.9 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 62.9 | 107.7 | 148 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 320 | I | 31.8 | Very low | 29.2 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | -168.3 | 104.9 | 92.5 | -171.7 | 156 | 0 | 0 | 0 | 111.5 | |||||
| 321 | D | 27 | Very low | 29.5 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -55.7 | 148.9 | 152.2 | -67.3 | -85.7 | 0 | 0 | 0 | 110.2 | ||||
| 322 | G | 27.6 | Very low | 30 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | cis | 177.1 | 99.9 | 8.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 323 | V | 26.9 | Very low | 30.3 | Very low | 149 Ų | 149 | 128 Ų | 128 | 90% | 0.903 | 76% | 0.76 | S | S | * | * | trans | -91.5 | 109.6 | 166.7 | -41.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 324 | T | 29.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -138.3 | 139.9 | 170.5 | -20.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 325 | S | 31.3 | Very low | 31.2 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 79.1 | 93.3 | 158.7 | 63.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 326 | L | 27.8 | Very low | 32.1 | Very low | 174 Ų | 174 | 114.4 Ų | 114.4 | 91% | 0.911 | 72% | 0.723 | S | S | * | * | -154.5 | 94.6 | 114.7 | -110.3 | 126.8 | 0 | 0 | 0 | 106.3 | |||||
| 327 | A | 28.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | 51.6 | 101.8 | 72 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 328 | G | 29.6 | Very low | 34.9 | Very low | 68 Ų | 68 | 111.1 Ų | 111.1 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | 112.4 | 114.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 329 | I | 31 | Very low | 37.7 | Very low | 158 Ų | 158 | 108.2 Ų | 108.2 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | trans | 86.6 | 94.1 | 150.4 | -48.2 | 159.4 | 0 | 0 | 0 | 114 | ||||
| 330 | N | 35.1 | Very low | 40.6 | Very low | 98 Ų | 98 | 105.3 Ų | 105.3 | 52% | 0.524 | 65% | 0.651 | S | S | . | * | 60.9 | 103.2 | 71.3 | -155.8 | -88.7 | 0 | 0 | 0 | 114.7 | K369 | N330-K369 PolarHBondContact ND2-NZ 3.18Š| |||
| 331 | I | 33.3 | Very low | 43.5 | Very low | 157 Ų | 157 | 97.2 Ų | 97.2 | 81% | 0.805 | 61% | 0.61 | S | S | * | * | trans | -162.6 | 150.5 | 155 | -92.9 | 149.4 | 0 | 0 | 0 | 107.5 | ||||
| 332 | P | 33.9 | Very low | 46.7 | Very low | 99 Ų | 99 | 92.4 Ų | 92.4 | 64% | 0.643 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -89.3 | 149.9 | -154.3 | 33.7 | -24.5 | 0 | 0 | 0 | 112.5 | ||
| 333 | G | 33.1 | Very low | 49.8 | Very low | 52 Ų | 52 | 89.5 Ų | 89.5 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | S | Bend | trans | 111.1 | -1.7 | 163 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 334 | H | 34.8 | Very low | 52.9 | Low | 148 Ų | 148 | 87.4 Ų | 87.4 | 69% | 0.685 | 53% | 0.528 | S | S | * | . | trans | -124.9 | 111.8 | 169.9 | -142.4 | 70.9 | 0 | 0 | 0 | 110.1 | G336 | H334-G336 VanDerWaalsContact C-N 3.33Å; H334-G336 PolarHBondContact O-N 3.33Å | ||
| 335 | A | 39.8 | Very low | 55.8 | Low | 69 Ų | 69 | 83.9 Ų | 83.9 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | trans | -55.9 | 102.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | T337 G338 | A335-T337 PolarHBondContact O-N 2.93Å; A335-G338 WeakPolarHBondContact CB-O 3.27Å | ||
| 336 | G | 44.9 | Very low | 58.6 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -63.5 | 87.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | H334 G338 | H334-G336 VanDerWaalsContact C-N 3.33Å; H334-G336 PolarHBondContact O-N 3.33Å; G336-G338 PolarHBondContact O-N 2.95Å |
| 337 | T | 61.8 | Low | 61.3 | Low | 130 Ų | 130 | 71.6 Ų | 71.6 | 80% | 0.798 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 45.2 | 30.5 | 169.3 | 63.8 | 0 | 0 | 0 | 0 | 115.7 | A335 | A335-T337 PolarHBondContact O-N 2.93Š|
| 338 | G | 70.1 | Confident | 63.9 | Low | 6 Ų | 6 | 69.9 Ų | 69.9 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -165 | 156.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A335 G336 M387 | A335-G338 WeakPolarHBondContact CB-O 3.27Å; G336-G338 PolarHBondContact O-N 2.95Å; G338-M387 CarbonylContact C-O 3.55Å; G338-M387 VanDerWaalsContact C-O 3.27Å; G338-M387 WeakPolarHBondContact CA-O 3.42Å |
| 339 | W | 85.8 | Confident | 66.5 | Low | 118 Ų | 118 | 72.4 Ų | 72.4 | 45% | 0.447 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.1 | -174.4 | -60.5 | 88.4 | 0 | 0 | 0 | 109.9 | T386 M387 Y390 A393 F414 | W339-T386 WeakPolarHBondContact O-CA 3.46Å; W339-M387 PolarHBondContact N-O 3.26Å; W339-M387 PolarHBondContact O-N 3.42Å; W339-Y390 VanDerWaalsContact CD1-CA 3.49Å; W339-Y390 AromaticContact CD2-CD2 3.61Å; W339-Y390 HydrophobicContact CD2-CD2 3.61Å; W339-Y390 HydrophobicContact CD2-CG 4.25Å; W339-Y390 VanDerWaalsContact CE2-CB 3.44Å; W339-Y390 AromaticContact CE2-CD2 3.83Å; W339-Y390 AromaticContact CE3-CD2 3.45Å; W339-Y390 HydrophobicContact CE3-CD2 3.45Å; W339-Y390 VanDerWaalsContact CE3-CD2 3.45Å; W339-Y390 HydrophobicContact CE3-CE2 4.11Å; W339-Y390 HydrophobicContact CE3-CG 4.45Å; W339-Y390 HydrophobicContact CG-CD2 4.33Å; W339-Y390 AromaticContact CH2-CD2 3.7Å; W339-Y390 HydrophobicContact CH2-CD2 3.7Å; W339-Y390 HydrophobicContact CH2-CE2 4.35Å; W339-Y390 HydrophobicContact CH2-CG 4.2Å; W339-Y390 AromaticContact CZ2-CD2 3.89Å; W339-Y390 HydrophobicContact CZ2-CD2 3.89Å; W339-Y390 HydrophobicContact CZ2-CG 4.04Å; W339-Y390 AromaticContact CZ3-CD2 3.49Å; W339-Y390 HydrophobicContact CZ3-CD2 3.49Å; W339-Y390 VanDerWaalsContact CZ3-CD2 3.49Å; W339-Y390 AromaticContact CZ3-CE2 3.93Å; W339-Y390 HydrophobicContact CZ3-CE2 3.93Å; W339-Y390 HydrophobicContact CZ3-CG 4.41Å; W339-A393 HydrophobicContact CB-CB 3.99Å; W339-F414 HydrophobicContact CB-CE1 4.29Å |
| 340 | C | 89.8 | Confident | 69 | Low | 31 Ų | 31 | 65.1 Ų | 65.1 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.6 | -177.7 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | V385 K415 | C340-V385 CarbonylContact C-O 3.54Å; C340-V385 WeakPolarHBondContact CA-O 3.47Å; C340-K415 HydrophobicContact CB-CB 4.06Å; C340-K415 HydrophobicContact CB-CD 4.07Å; C340-K415 VanDerWaalsContact O-CB 3.3Å; C340-K415 WeakPolarHBondContact O-CB 3.38Å; C340-K415 PolarHBondContact O-N 3.07Å; C340-K415 WeakPolarHBondContact SG-CD 3.46Å |
| 341 | I | 92.6 | Very high | 71.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.4 | 176.5 | -52.5 | 175.7 | 0 | 0 | 0 | 107.7 | V343 F359 F384 V385 M387 A393 I397 V412 S413 | I341-V343 HydrophobicContact CG2-CG2 4.41Å; I341-F359 HydrophobicContact CD1-CD1 4.06Å; I341-F359 HydrophobicContact CD1-CE1 3.65Å; I341-F359 HydrophobicContact CG2-CE1 4.09Å; I341-F359 HydrophobicContact CG2-CZ 4.23Å; I341-F384 WeakPolarHBondContact O-CA 3.39Å; I341-V385 HydrophobicContact CB-CB 4.4Å; I341-V385 PolarHBondContact N-O 2.84Å; I341-V385 PolarHBondContact O-N 2.82Å; I341-M387 HydrophobicContact CD1-CG 3.95Å; I341-M387 HydrophobicContact CD1-SD 3.6Å; I341-A393 HydrophobicContact CD1-CB 3.84Å; I341-A393 HydrophobicContact CG1-CB 4.28Å; I341-I397 HydrophobicContact CD1-CD1 4.44Å; I341-I397 HydrophobicContact CD1-CG1 4.23Å; I341-I397 HydrophobicContact CG1-CD1 4.17Å; I341-I397 HydrophobicContact CG1-CG1 4.33Å; I341-I397 HydrophobicContact CG2-CD1 4.24Å; I341-I397 HydrophobicContact CG2-CG1 3.8Å; I341-V412 HydrophobicContact CG2-CG1 3.34Å; I341-S413 CarbonylContact C-O 3.48Å; I341-S413 WeakPolarHBondContact CA-O 3.27Å; I341-S413 WeakPolarHBondContact CG2-O 3.38Å |
| 342 | F | 93.4 | Very high | 74.2 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.4 | 171.6 | 177.6 | -118.4 | 0 | 0 | 0 | 109.3 | Y344 F382 F384 V412 S413 K415 | F342-Y344 HydrophobicContact CE1-CD2 4.07Å; F342-Y344 HydrophobicContact CE1-CG 4.16Å; F342-Y344 AromaticContact CZ-CD2 3.65Å; F342-Y344 HydrophobicContact CZ-CD2 3.65Å; F342-Y344 HydrophobicContact CZ-CG 4.17Å; F342-F382 HydrophobicContact CE2-CB 3.89Å; F342-F382 AromaticContact CE2-CD2 3.73Å; F342-F382 HydrophobicContact CE2-CD2 3.73Å; F342-F382 HydrophobicContact CE2-CG 4.09Å; F342-F382 HydrophobicContact CZ-CB 4.14Å; F342-F382 HydrophobicContact CZ-CD2 4.48Å; F342-F382 HydrophobicContact CZ-CG 4.48Å; F342-F384 AromaticContact CD2-CD1 3.97Å; F342-F384 HydrophobicContact CD2-CD1 3.97Å; F342-F384 AromaticContact CD2-CE1 3.45Å; F342-F384 HydrophobicContact CD2-CE1 3.45Å; F342-F384 VanDerWaalsContact CD2-CE1 3.45Å; F342-F384 AromaticContact CD2-CZ 3.96Å; F342-F384 HydrophobicContact CD2-CZ 3.96Å; F342-F384 HydrophobicContact CE2-CE1 4.08Å; F342-F384 HydrophobicContact CE2-CZ 4.13Å; F342-F384 HydrophobicContact CG-CE1 4.4Å; F342-V412 WeakPolarHBondContact O-CA 3.48Å; F342-S413 PolarHBondContact N-O 2.94Å; F342-S413 PolarHBondContact O-N 2.85Å; F342-K415 HydrophobicContact CB-CB 4.49Å |
| 343 | V | 92.6 | Very high | 76.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.5 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | I341 L346 L355 F359 F382 G383 V385 Q411 V412 | I341-V343 HydrophobicContact CG2-CG2 4.41Å; V343-L346 HydrophobicContact CG1-CD1 4.38Å; V343-L346 HydrophobicContact CG1-CD2 3.84Å; V343-L346 HydrophobicContact CG1-CG 4.1Å; V343-L355 HydrophobicContact CB-CD2 4.42Å; V343-L355 HydrophobicContact CG1-CD2 4.01Å; V343-L355 HydrophobicContact CG2-CD2 4.3Å; V343-F359 HydrophobicContact CG2-CE2 3.89Å; V343-F359 HydrophobicContact CG2-CZ 3.75Å; V343-F382 CarbonylContact O-C 3.57Å; V343-F382 WeakPolarHBondContact O-CA 3.33Å; V343-F382 WeakPolarHBondContact O-CB 3.18Å; V343-G383 PolarHBondContact N-O 2.92Å; V343-G383 PolarHBondContact O-N 2.9Å; V343-V385 HydrophobicContact CG2-CG2 4.12Å; V343-Q411 CarbonylContact C-O 3.52Å; V343-Q411 WeakPolarHBondContact CA-O 3.38Å; V343-V412 HydrophobicContact CG1-CG2 4.28Å; V343-V412 HydrophobicContact CG2-CG1 4.33Å |
| 344 | Y | 91.8 | Very high | 79.5 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 162.3 | -176.7 | -171.5 | -98.6 | 0 | 0 | 0 | 111.2 | F342 G381 F382 Q411 | F342-Y344 HydrophobicContact CE1-CD2 4.07Å; F342-Y344 HydrophobicContact CE1-CG 4.16Å; F342-Y344 AromaticContact CZ-CD2 3.65Å; F342-Y344 HydrophobicContact CZ-CD2 3.65Å; F342-Y344 HydrophobicContact CZ-CG 4.17Å; Y344-G381 CarbonylContact C-O 3.54Å; Y344-F382 HydrophobicContact CD2-CB 3.69Å; Y344-F382 HydrophobicContact CD2-CG 4.46Å; Y344-F382 HydrophobicContact CE2-CB 4.36Å; Y344-Q411 PolarHBondContact N-O 2.83Å; Y344-Q411 PolarHBondContact O-N 3.45Å |
| 345 | N | 90.3 | Very high | 82.2 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 64.4 | 33.9 | -175.3 | -158.7 | 30.7 | 0 | 0 | 0 | 114.4 | G381 V409 | N345-G381 WeakPolarHBondContact CA-O 3.43Å; N345-G381 PolarHBondContact N-O 2.9Å; N345-V409 WeakPolarHBondContact CB-O 3.46Å; N345-V409 PolarHBondContact ND2-O 3.5Å |
| 346 | L | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -65.2 | 152.3 | 172 | -67.8 | 170.7 | 0 | 0 | 0 | 111.2 | V343 A350 L355 V370 G381 R408 L410 | V343-L346 HydrophobicContact CG1-CD1 4.38Å; V343-L346 HydrophobicContact CG1-CD2 3.84Å; V343-L346 HydrophobicContact CG1-CG 4.1Å; L346-A350 HydrophobicContact CB-CB 4.09Å; L346-A350 HydrophobicContact CD2-CB 4.41Å; L346-L355 HydrophobicContact CD1-CD1 4.18Å; L346-L355 HydrophobicContact CD2-CD2 4.04Å; L346-V370 HydrophobicContact CD1-CG1 4.47Å; L346-V370 HydrophobicContact CD1-CG2 4.49Å; L346-G381 PolarHBondContact N-O 3.09Å; L346-R408 PolarHBondContact O-NH1 3.22Å; L346-L410 HydrophobicContact CD2-CD1 4.47Å; L346-L410 HydrophobicContact CD2-CD2 3.78Å; L346-L410 HydrophobicContact CG-CD2 4.5Å | ||
| 347 | A | 85.2 | Confident | 86.8 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 13% | 0.132 | 30% | 0.304 | C | S | . | . | trans | -66.5 | 150 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D349 A350 | A347-D349 WeakPolarHBondContact CB-OD1 3.48Å; A347-D349 PolarHBondContact O-N 2.83Å; A347-D349 VanDerWaalsContact O-N 3.17Å; A347-A350 HydrophobicContact CB-CB 4.1Å; A347-A350 VanDerWaalsContact O-CB 3.25Å; A347-A350 WeakPolarHBondContact O-CB 3.49Å; A347-A350 PolarHBondContact O-N 2.82Å | ||
| 348 | P | 83.4 | Confident | 88.1 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.5 | -178.1 | 27 | -34.4 | 0 | 0 | 0 | 113.6 | C379 | P348-C379 PolarHBondContact O-N 3.31Š|
| 349 | D | 83.4 | Confident | 89.1 | Confident | 121 Ų | 121 | 54 Ų | 54 | 65% | 0.647 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 4 | 175.1 | 61.8 | -41.9 | 0 | 0 | 0 | 113.4 | A347 D351 | A347-D349 WeakPolarHBondContact CB-OD1 3.48Å; A347-D349 PolarHBondContact O-N 2.83Å; A347-D349 VanDerWaalsContact O-N 3.17Å; D349-D351 PolarHBondContact O-N 2.95Å |
| 350 | A | 84.3 | Confident | 89.3 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | trans | -74.8 | 120.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L346 A347 I354 C379 | L346-A350 HydrophobicContact CB-CB 4.09Å; L346-A350 HydrophobicContact CD2-CB 4.41Å; A347-A350 HydrophobicContact CB-CB 4.1Å; A347-A350 VanDerWaalsContact O-CB 3.25Å; A347-A350 WeakPolarHBondContact O-CB 3.49Å; A347-A350 PolarHBondContact O-N 2.82Å; A350-I354 HydrophobicContact CB-CG2 4.37Å; A350-C379 PolarHBondContact O-SG 3.01Å | ||
| 351 | D | 88.1 | Confident | 89.4 | Confident | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 29% | 0.291 | S | S | . | . | trans | -97.9 | 168.1 | -179.2 | -64.5 | -39.7 | 0 | 0 | 0 | 114.1 | D349 S353 I354 R372 | D349-D351 PolarHBondContact O-N 2.95Å; D351-S353 PolarHBondContact O-N 2.77Å; D351-I354 VanDerWaalsContact O-CG2 3.25Å; D351-I354 WeakPolarHBondContact O-CG2 3.29Å; D351-I354 PolarHBondContact O-N 2.95Å; D351-R372 IonicContact OD1-CZ 2.67Å; D351-R372 IonicContact OD1-NH1 2.73Å; D351-R372 PolarHBondContact OD1-NH1 3.34Å; D351-R372 IonicContact OD1-NH2 3.6Å; D351-R372 PolarHBondContact OD1-NH2 2.78Å | ||
| 352 | E | 89.3 | Confident | 89.2 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.2 | -34.2 | 177 | -66.6 | 76.9 | -173 | 0 | 0 | 112.1 | I354 L355 W356 V368 V370 R372 | E352-I354 VanDerWaalsContact C-N 3.27Å; E352-I354 PolarHBondContact O-N 2.67Å; E352-L355 PolarHBondContact O-N 2.73Å; E352-L355 VanDerWaalsContact O-N 3.14Å; E352-W356 PolarHBondContact O-N 2.98Å; E352-V368 HydrophobicContact CB-CG1 3.95Å; E352-V368 HydrophobicContact CG-CG1 4.17Å; E352-V370 HydrophobicContact CG-CB 4.37Å; E352-V370 HydrophobicContact CG-CG2 4.01Å; E352-R372 IonicContact OE1-NE 3.65Å; E352-R372 IonicContact OE1-NH2 3.22Å; E352-R372 IonicContact OE2-CZ 3.79Å; E352-R372 IonicContact OE2-NH2 3.17Å; E352-R372 PolarHBondContact OE2-NH2 3.3Å |
| 353 | S | 89.8 | Confident | 88.9 | Confident | 87 Ų | 87 | 54.9 Ų | 54.9 | 61% | 0.608 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.3 | -37.4 | 179.6 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | D351 L355 W356 Q357 | D351-S353 PolarHBondContact O-N 2.77Å; S353-L355 VanDerWaalsContact C-N 3.34Å; S353-L355 PolarHBondContact O-N 2.81Å; S353-W356 PolarHBondContact O-N 2.82Å; S353-Q357 PolarHBondContact O-N 3.32Å |
| 354 | I | 89.4 | Confident | 88.7 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 30% | 0.297 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -37.3 | -179.7 | -149.8 | 157.1 | 0 | 0 | 0 | 111 | A350 D351 E352 Q357 M358 L405 | A350-I354 HydrophobicContact CB-CG2 4.37Å; D351-I354 VanDerWaalsContact O-CG2 3.25Å; D351-I354 WeakPolarHBondContact O-CG2 3.29Å; D351-I354 PolarHBondContact O-N 2.95Å; E352-I354 VanDerWaalsContact C-N 3.27Å; E352-I354 PolarHBondContact O-N 2.67Å; I354-Q357 PolarHBondContact O-N 2.95Å; I354-M358 WeakPolarHBondContact O-CB 3.08Å; I354-M358 WeakPolarHBondContact O-CG 2.96Å; I354-M358 PolarHBondContact O-N 3.03Å; I354-L405 HydrophobicContact CD1-CD1 3.82Å; I354-L405 HydrophobicContact CD1-CD2 4.09Å; I354-L405 HydrophobicContact CD1-CG 4.4Å; I354-L405 HydrophobicContact CG1-CD1 4.39Å; I354-L405 HydrophobicContact CG2-CD2 4.39Å |
| 355 | L | 90.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.8 | -39 | 176.3 | -68.4 | 176.8 | 0 | 0 | 0 | 111.4 | V343 L346 E352 S353 Q357 M358 F359 V368 V370 V385 | V343-L355 HydrophobicContact CB-CD2 4.42Å; V343-L355 HydrophobicContact CG1-CD2 4.01Å; V343-L355 HydrophobicContact CG2-CD2 4.3Å; L346-L355 HydrophobicContact CD1-CD1 4.18Å; L346-L355 HydrophobicContact CD2-CD2 4.04Å; E352-L355 PolarHBondContact O-N 2.73Å; E352-L355 VanDerWaalsContact O-N 3.14Å; S353-L355 VanDerWaalsContact C-N 3.34Å; S353-L355 PolarHBondContact O-N 2.81Å; L355-Q357 VanDerWaalsContact C-N 3.33Å; L355-Q357 PolarHBondContact O-N 3.21Å; L355-M358 PolarHBondContact O-N 3.02Å; L355-F359 HydrophobicContact CD2-CD2 4.46Å; L355-F359 HydrophobicContact CD2-CE2 4.08Å; L355-F359 WeakPolarHBondContact O-CB 3.42Å; L355-F359 WeakPolarHBondContact O-CD2 3.14Å; L355-F359 PolarHBondContact O-N 3.03Å; L355-V368 HydrophobicContact CB-CG1 3.64Å; L355-V368 HydrophobicContact CD1-CG1 3.72Å; L355-V368 HydrophobicContact CG-CG1 4.32Å; L355-V370 HydrophobicContact CD1-CG2 3.65Å; L355-V385 HydrophobicContact CB-CG2 4.21Å; L355-V385 HydrophobicContact CD1-CG2 4.23Å |
| 356 | W | 91.5 | Very high | 88.5 | Confident | 112 Ų | 112 | 54.2 Ų | 54.2 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 171.9 | -80.8 | 108.6 | 0 | 0 | 0 | 112 | E352 S353 G360 V365 V368 | E352-W356 PolarHBondContact O-N 2.98Å; S353-W356 PolarHBondContact O-N 2.82Å; W356-G360 WeakPolarHBondContact O-CA 3.41Å; W356-G360 PolarHBondContact O-N 3.36Å; W356-V365 HydrophobicContact CD2-CG1 4.22Å; W356-V365 HydrophobicContact CE3-CB 3.66Å; W356-V365 HydrophobicContact CE3-CG1 3.67Å; W356-V365 HydrophobicContact CE3-CG2 4.47Å; W356-V365 HydrophobicContact CH2-CB 4Å; W356-V365 HydrophobicContact CH2-CG1 3.66Å; W356-V365 WeakPolarHBondContact CH2-O 3.18Å; W356-V365 HydrophobicContact CZ2-CG1 4.18Å; W356-V365 HydrophobicContact CZ3-CB 3.31Å; W356-V365 HydrophobicContact CZ3-CG1 3.41Å; W356-V365 VanDerWaalsContact CZ3-CG1 3.41Å; W356-V365 WeakPolarHBondContact CZ3-O 3.37Å; W356-V368 HydrophobicContact CD2-CB 4.49Å; W356-V368 HydrophobicContact CD2-CG2 3.66Å; W356-V368 HydrophobicContact CE3-CG2 4.37Å; W356-V368 HydrophobicContact CG-CG2 3.89Å; W356-V368 HydrophobicContact CZ2-CB 4.28Å; W356-V368 HydrophobicContact CZ2-CG2 3.87Å |
| 357 | Q | 90.1 | Very high | 88.3 | Confident | 155 Ų | 155 | 58.3 Ų | 58.3 | 72% | 0.724 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.1 | -37.3 | 179.9 | -174 | 172.9 | -15.6 | 0 | 0 | 112.6 | S353 I354 L355 P361 | S353-Q357 PolarHBondContact O-N 3.32Å; I354-Q357 PolarHBondContact O-N 2.95Å; L355-Q357 VanDerWaalsContact C-N 3.33Å; L355-Q357 PolarHBondContact O-N 3.21Å; Q357-P361 VanDerWaalsContact O-CD 3.27Å; Q357-P361 WeakPolarHBondContact O-CD 3.25Å |
| 358 | M | 88.7 | Confident | 88.5 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -75.6 | -37.4 | -179.9 | -66.7 | -128.7 | -66.7 | 0 | 0 | 113.2 | I354 L355 F362 L400 Y403 L410 | I354-M358 WeakPolarHBondContact O-CB 3.08Å; I354-M358 WeakPolarHBondContact O-CG 2.96Å; I354-M358 PolarHBondContact O-N 3.03Å; L355-M358 PolarHBondContact O-N 3.02Å; M358-F362 VanDerWaalsContact O-CD2 3.29Å; M358-F362 WeakPolarHBondContact O-CD2 3.46Å; M358-F362 WeakPolarHBondContact O-CE2 3.25Å; M358-L400 HydrophobicContact CB-CD1 4.37Å; M358-L400 HydrophobicContact CB-CD2 4.39Å; M358-L400 HydrophobicContact CE-CD2 4.33Å; M358-L400 HydrophobicContact SD-CD2 4.3Å; M358-Y403 HydrophobicContact CE-CD1 3.81Å; M358-Y403 HydrophobicContact CE-CE1 4.07Å; M358-Y403 HydrophobicContact SD-CD1 3.78Å; M358-Y403 HydrophobicContact SD-CE1 3.46Å; M358-Y403 WeakPolarHBondContact SD-CE1 3.47Å; M358-L410 HydrophobicContact CE-CD1 3.29Å |
| 359 | F | 91.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -89.5 | -20.2 | -178 | -77.2 | -96.1 | 0 | 0 | 0 | 113.8 | I341 V343 L355 F362 V365 V385 M387 A396 L400 V412 | I341-F359 HydrophobicContact CD1-CD1 4.06Å; I341-F359 HydrophobicContact CD1-CE1 3.65Å; I341-F359 HydrophobicContact CG2-CE1 4.09Å; I341-F359 HydrophobicContact CG2-CZ 4.23Å; V343-F359 HydrophobicContact CG2-CE2 3.89Å; V343-F359 HydrophobicContact CG2-CZ 3.75Å; L355-F359 HydrophobicContact CD2-CD2 4.46Å; L355-F359 HydrophobicContact CD2-CE2 4.08Å; L355-F359 WeakPolarHBondContact O-CB 3.42Å; L355-F359 WeakPolarHBondContact O-CD2 3.14Å; L355-F359 PolarHBondContact O-N 3.03Å; F359-F362 PolarHBondContact O-N 3.12Å; F359-F362 VanDerWaalsContact O-N 3.13Å; F359-V365 HydrophobicContact CB-CG2 3.64Å; F359-V385 HydrophobicContact CB-CG1 4.15Å; F359-V385 HydrophobicContact CD1-CG1 4.02Å; F359-V385 HydrophobicContact CD2-CG1 4.34Å; F359-V385 HydrophobicContact CD2-CG2 3.97Å; F359-V385 HydrophobicContact CE2-CG2 3.94Å; F359-V385 HydrophobicContact CG-CG1 3.91Å; F359-V385 HydrophobicContact CG-CG2 4.37Å; F359-V385 HydrophobicContact CZ-CG2 4.33Å; F359-M387 HydrophobicContact CD1-SD 4.04Å; F359-A396 HydrophobicContact CD1-CB 3.88Å; F359-A396 HydrophobicContact CE1-CB 3.98Å; F359-L400 HydrophobicContact CD1-CD1 3.89Å; F359-L400 HydrophobicContact CD2-CD1 3.78Å; F359-L400 HydrophobicContact CE1-CD1 3.69Å; F359-L400 HydrophobicContact CE2-CD1 3.59Å; F359-L400 HydrophobicContact CG-CD1 3.94Å; F359-L400 HydrophobicContact CZ-CD1 3.55Å; F359-V412 HydrophobicContact CE1-CG1 4.27Å; F359-V412 HydrophobicContact CZ-CG1 3.82Å |
| 360 | G | 89.1 | Confident | 89.1 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -56.4 | -40.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W356 F362 G363 | W356-G360 WeakPolarHBondContact O-CA 3.41Å; W356-G360 PolarHBondContact O-N 3.36Å; G360-F362 PolarHBondContact O-N 2.74Å; G360-G363 PolarHBondContact O-N 2.76Å |
| 361 | P | 92.3 | Very high | 89.2 | Confident | 108 Ų | 108 | 55 Ų | 55 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -64.9 | -21.7 | 177.2 | -24.2 | 34.3 | 0 | 0 | 0 | 114.4 | Q357 | Q357-P361 VanDerWaalsContact O-CD 3.27Å; Q357-P361 WeakPolarHBondContact O-CD 3.25Å |
| 362 | F | 89.5 | Confident | 89.3 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 25% | 0.254 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -91.7 | -18.6 | -175.6 | -60.9 | -77.2 | 0 | 0 | 0 | 113.2 | M358 F359 G360 M387 E392 V395 A396 S399 L400 | M358-F362 VanDerWaalsContact O-CD2 3.29Å; M358-F362 WeakPolarHBondContact O-CD2 3.46Å; M358-F362 WeakPolarHBondContact O-CE2 3.25Å; F359-F362 PolarHBondContact O-N 3.12Å; F359-F362 VanDerWaalsContact O-N 3.13Å; G360-F362 PolarHBondContact O-N 2.74Å; F362-M387 HydrophobicContact CB-CE 4.24Å; F362-E392 VanDerWaalsContact O-CB 3.25Å; F362-E392 WeakPolarHBondContact O-CB 3.33Å; F362-E392 WeakPolarHBondContact O-CG 3.3Å; F362-V395 HydrophobicContact CD1-CG1 4.07Å; F362-V395 HydrophobicContact CE1-CG1 4.46Å; F362-A396 HydrophobicContact CB-CB 3.65Å; F362-A396 HydrophobicContact CD1-CB 4.34Å; F362-A396 HydrophobicContact CD2-CB 4.04Å; F362-A396 HydrophobicContact CG-CB 3.75Å; F362-S399 WeakPolarHBondContact CE1-OG 3.39Å; F362-L400 HydrophobicContact CD2-CD1 4.17Å; F362-L400 HydrophobicContact CE2-CD1 3.85Å; F362-L400 HydrophobicContact CE2-CD2 4.06Å; F362-L400 HydrophobicContact CE2-CG 3.87Å; F362-L400 HydrophobicContact CZ-CD2 4.5Å; F362-L400 HydrophobicContact CZ-CG 4.33Å |
| 363 | G | 86.5 | Confident | 89 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 164.1 | 178 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G360 V365 M387 E392 | G360-G363 PolarHBondContact O-N 2.76Å; G363-V365 PolarHBondContact O-N 3.37Å; G363-M387 VanDerWaalsContact CA-CE 3.48Å; G363-E392 WeakPolarHBondContact CA-OE2 3.34Å |
| 364 | A | 87.6 | Confident | 88.4 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | trans | -72.5 | 111.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | T388 E392 | A364-T388 HydrophobicContact CB-CG2 4.18Å; A364-T388 PolarHBondContact O-N 2.97Å; A364-T388 VanDerWaalsContact O-N 3.12Å; A364-E392 PolarHBondContact N-OE2 2.95Å | ||
| 365 | V | 90.1 | Very high | 88 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.2 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | W356 F359 G363 V368 V385 M387 | W356-V365 HydrophobicContact CD2-CG1 4.22Å; W356-V365 HydrophobicContact CE3-CB 3.66Å; W356-V365 HydrophobicContact CE3-CG1 3.67Å; W356-V365 HydrophobicContact CE3-CG2 4.47Å; W356-V365 HydrophobicContact CH2-CB 4Å; W356-V365 HydrophobicContact CH2-CG1 3.66Å; W356-V365 WeakPolarHBondContact CH2-O 3.18Å; W356-V365 HydrophobicContact CZ2-CG1 4.18Å; W356-V365 HydrophobicContact CZ3-CB 3.31Å; W356-V365 HydrophobicContact CZ3-CG1 3.41Å; W356-V365 VanDerWaalsContact CZ3-CG1 3.41Å; W356-V365 WeakPolarHBondContact CZ3-O 3.37Å; F359-V365 HydrophobicContact CB-CG2 3.64Å; G363-V365 PolarHBondContact O-N 3.37Å; V365-V368 HydrophobicContact CG1-CG2 3.56Å; V365-V385 HydrophobicContact CG1-CG1 3.73Å; V365-V385 HydrophobicContact CG2-CG1 4.32Å; V365-M387 HydrophobicContact CG2-CG 4.44Å |
| 366 | T | 88.2 | Confident | 87.6 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 42% | 0.417 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -38 | -179.9 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | T386 T388 | T366-T386 PolarHBondContact N-O 3.18Å; T366-T388 VanDerWaalsContact OG1-CG2 3.29Å; T366-T388 WeakPolarHBondContact OG1-CG2 3.42Å |
| 367 | N | 85.2 | Confident | 86.8 | Confident | 87 Ų | 87 | 67.5 Ų | 67.5 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 142.7 | -175 | -156.2 | -94.4 | 0 | 0 | 0 | 111.7 | V385 T386 | N367-V385 CarbonylContact O-C 3.56Å; N367-V385 WeakPolarHBondContact O-CA 3.16Å; N367-T386 PolarHBondContact N-O 3Å; N367-T386 PolarHBondContact O-N 3.37Å |
| 368 | V | 89.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.6 | 171.7 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | E352 L355 W356 V365 F384 V385 | E352-V368 HydrophobicContact CB-CG1 3.95Å; E352-V368 HydrophobicContact CG-CG1 4.17Å; L355-V368 HydrophobicContact CB-CG1 3.64Å; L355-V368 HydrophobicContact CD1-CG1 3.72Å; L355-V368 HydrophobicContact CG-CG1 4.32Å; W356-V368 HydrophobicContact CD2-CB 4.49Å; W356-V368 HydrophobicContact CD2-CG2 3.66Å; W356-V368 HydrophobicContact CE3-CG2 4.37Å; W356-V368 HydrophobicContact CG-CG2 3.89Å; W356-V368 HydrophobicContact CZ2-CB 4.28Å; W356-V368 HydrophobicContact CZ2-CG2 3.87Å; V365-V368 HydrophobicContact CG1-CG2 3.56Å; V368-F384 CarbonylContact C-O 3.51Å; V368-F384 WeakPolarHBondContact CA-O 3.44Å; V368-V385 HydrophobicContact CG1-CG2 4.42Å; V368-V385 HydrophobicContact CG2-CG1 4.25Å; V368-V385 HydrophobicContact CG2-CG2 4.28Å |
| 369 | K | 88.8 | Confident | 86.1 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 30% | 0.3 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 115.2 | 176.6 | -175.8 | 177.6 | -178.5 | -180 | 0 | 110.6 | N330 I371 G383 F384 | N330-K369 PolarHBondContact ND2-NZ 3.18Å; K369-I371 HydrophobicContact CD-CD1 4.07Å; K369-I371 HydrophobicContact CG-CD1 4.14Å; K369-G383 CarbonylContact O-C 3.54Å; K369-G383 WeakPolarHBondContact O-CA 3.12Å; K369-F384 PolarHBondContact N-O 3.03Å; K369-F384 PolarHBondContact O-N 3.5Å |
| 370 | V | 90.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.8 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 109 | L346 E352 L355 R372 C379 | L346-V370 HydrophobicContact CD1-CG1 4.47Å; L346-V370 HydrophobicContact CD1-CG2 4.49Å; E352-V370 HydrophobicContact CG-CB 4.37Å; E352-V370 HydrophobicContact CG-CG2 4.01Å; L355-V370 HydrophobicContact CD1-CG2 3.65Å; V370-R372 HydrophobicContact CG1-CG 4.37Å; V370-C379 HydrophobicContact CG1-CB 3.96Å |
| 371 | I | 88 | Confident | 85.5 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 17% | 0.169 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119 | 175.9 | -56.3 | -52.9 | 0 | 0 | 0 | 108.6 | K369 K380 F382 F384 | K369-I371 HydrophobicContact CD-CD1 4.07Å; K369-I371 HydrophobicContact CG-CD1 4.14Å; I371-K380 HydrophobicContact CG2-CB 4.48Å; I371-K380 HydrophobicContact CG2-CD 3.82Å; I371-K380 HydrophobicContact CG2-CG 4.27Å; I371-K380 WeakPolarHBondContact O-CB 3.43Å; I371-K380 PolarHBondContact O-N 3.14Å; I371-F382 HydrophobicContact CB-CD2 4.08Å; I371-F382 HydrophobicContact CB-CE1 4.34Å; I371-F382 HydrophobicContact CB-CE2 3.67Å; I371-F382 HydrophobicContact CB-CZ 3.79Å; I371-F382 HydrophobicContact CG1-CD2 3.83Å; I371-F382 HydrophobicContact CG1-CE2 3.37Å; I371-F382 HydrophobicContact CG1-CZ 3.97Å; I371-F382 HydrophobicContact CG2-CE1 4.35Å; I371-F382 HydrophobicContact CG2-CE2 4.08Å; I371-F382 HydrophobicContact CG2-CZ 3.75Å; I371-F382 PolarHBondContact N-O 3.17Å; I371-F384 HydrophobicContact CD1-CD2 4.26Å; I371-F384 HydrophobicContact CD1-CE2 4.07Å; I371-F384 HydrophobicContact CG1-CD2 4.17Å; I371-F384 HydrophobicContact CG1-CE2 3.74Å |
| 372 | R | 88.5 | Confident | 85.4 | Confident | 72 Ų | 72 | 67 Ų | 67 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 152.5 | 178.7 | -59.7 | 176 | -167.8 | -105.6 | 6.1 | 110.5 | D351 E352 V370 K378 C379 | D351-R372 IonicContact OD1-CZ 2.67Å; D351-R372 IonicContact OD1-NH1 2.73Å; D351-R372 PolarHBondContact OD1-NH1 3.34Å; D351-R372 IonicContact OD1-NH2 3.6Å; D351-R372 PolarHBondContact OD1-NH2 2.78Å; E352-R372 IonicContact OE1-NE 3.65Å; E352-R372 IonicContact OE1-NH2 3.22Å; E352-R372 IonicContact OE2-CZ 3.79Å; E352-R372 IonicContact OE2-NH2 3.17Å; E352-R372 PolarHBondContact OE2-NH2 3.3Å; V370-R372 HydrophobicContact CG1-CG 4.37Å; R372-K378 CarbonylContact C-O 3.55Å; R372-K378 VanDerWaalsContact CA-O 3.27Å; R372-K378 WeakPolarHBondContact CA-O 3.49Å; R372-C379 PolarHBondContact NH1-SG 2.8Å |
| 373 | D | 82.8 | Confident | 85.5 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | trans | -73.7 | 134 | 172.3 | -157.6 | -59.5 | 0 | 0 | 0 | 109.5 | N375 N377 K378 K380 | D373-N375 PolarHBondContact O-N 3.02Å; D373-N375 PolarHBondContact OD1-N 2.75Å; D373-N375 VanDerWaalsContact OD1-N 3.09Å; D373-N377 VanDerWaalsContact O-CA 3.27Å; D373-N377 WeakPolarHBondContact O-CA 3.1Å; D373-N377 PolarHBondContact O-N 3.17Å; D373-K378 PolarHBondContact N-O 2.92Å; D373-K380 HydrophobicContact CB-CD 4.45Å; D373-K380 HydrophobicContact CB-CG 4.13Å | ||
| 374 | F | 78.8 | Confident | 85.8 | Confident | 187 Ų | 187 | 65.1 Ų | 65.1 | 82% | 0.82 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.5 | -176.4 | -175 | -101.3 | 0 | 0 | 0 | 112.3 | ||
| 375 | N | 80.4 | Confident | 86.1 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 74% | 0.738 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -30.4 | -176.3 | -60.1 | 139.9 | 0 | 0 | 0 | 113.5 | D373 | D373-N375 PolarHBondContact O-N 3.02Å; D373-N375 PolarHBondContact OD1-N 2.75Å; D373-N375 VanDerWaalsContact OD1-N 3.09Å |
| 376 | T | 81.4 | Confident | 86.1 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -7.9 | -175.9 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | K378 | T376-K378 PolarHBondContact O-N 2.72Å; T376-K378 PolarHBondContact OG1-N 3.39Å |
| 377 | N | 76.3 | Confident | 86.2 | Confident | 120 Ų | 120 | 59.4 Ų | 59.4 | 64% | 0.642 | 29% | 0.292 | S | S | * | . | trans | 53.4 | 8.6 | -170.1 | -78.1 | -75.8 | 0 | 0 | 0 | 114.9 | D373 | D373-N377 VanDerWaalsContact O-CA 3.27Å; D373-N377 WeakPolarHBondContact O-CA 3.1Å; D373-N377 PolarHBondContact O-N 3.17Å | ||
| 378 | K | 79.8 | Confident | 86.3 | Confident | 129 Ų | 129 | 57.8 Ų | 57.8 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | trans | -82.4 | 151.1 | 177.2 | -70 | 179.9 | 178.4 | -74.9 | 0 | 110.6 | R372 D373 T376 K380 | R372-K378 CarbonylContact C-O 3.55Å; R372-K378 VanDerWaalsContact CA-O 3.27Å; R372-K378 WeakPolarHBondContact CA-O 3.49Å; D373-K378 PolarHBondContact N-O 2.92Å; T376-K378 PolarHBondContact O-N 2.72Å; T376-K378 PolarHBondContact OG1-N 3.39Å; K378-K380 PolarHBondContact O-N 2.9Å | ||
| 379 | C | 82.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.081 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.4 | -179.2 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | P348 A350 V370 R372 G381 | P348-C379 PolarHBondContact O-N 3.31Å; A350-C379 PolarHBondContact O-SG 3.01Å; V370-C379 HydrophobicContact CG1-CB 3.96Å; R372-C379 PolarHBondContact NH1-SG 2.8Å; C379-G381 PolarHBondContact O-N 2.74Å |
| 380 | K | 83 | Confident | 86.3 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 9.7 | 176.8 | -57.6 | -169.5 | 81 | 168.5 | 0 | 112.6 | I371 D373 K378 F382 | I371-K380 HydrophobicContact CG2-CB 4.48Å; I371-K380 HydrophobicContact CG2-CD 3.82Å; I371-K380 HydrophobicContact CG2-CG 4.27Å; I371-K380 WeakPolarHBondContact O-CB 3.43Å; I371-K380 PolarHBondContact O-N 3.14Å; D373-K380 HydrophobicContact CB-CD 4.45Å; D373-K380 HydrophobicContact CB-CG 4.13Å; K378-K380 PolarHBondContact O-N 2.9Å; K380-F382 HydrophobicContact CB-CD1 4.1Å; K380-F382 HydrophobicContact CB-CE1 3.76Å; K380-F382 WeakPolarHBondContact O-CD1 3.32Å |
| 381 | G | 86 | Confident | 86.3 | Confident | 8 Ų | 8 | 67.8 Ų | 67.8 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.5 | 11.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y344 N345 L346 C379 | Y344-G381 CarbonylContact C-O 3.54Å; N345-G381 WeakPolarHBondContact CA-O 3.43Å; N345-G381 PolarHBondContact N-O 2.9Å; L346-G381 PolarHBondContact N-O 3.09Å; C379-G381 PolarHBondContact O-N 2.74Å |
| 382 | F | 90.7 | Very high | 86.5 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 23% | 0.232 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156.5 | 177.4 | 68.6 | -86.9 | 0 | 0 | 0 | 113.8 | F342 V343 Y344 I371 K380 F384 | F342-F382 HydrophobicContact CE2-CB 3.89Å; F342-F382 AromaticContact CE2-CD2 3.73Å; F342-F382 HydrophobicContact CE2-CD2 3.73Å; F342-F382 HydrophobicContact CE2-CG 4.09Å; F342-F382 HydrophobicContact CZ-CB 4.14Å; F342-F382 HydrophobicContact CZ-CD2 4.48Å; F342-F382 HydrophobicContact CZ-CG 4.48Å; V343-F382 CarbonylContact O-C 3.57Å; V343-F382 WeakPolarHBondContact O-CA 3.33Å; V343-F382 WeakPolarHBondContact O-CB 3.18Å; Y344-F382 HydrophobicContact CD2-CB 3.69Å; Y344-F382 HydrophobicContact CD2-CG 4.46Å; Y344-F382 HydrophobicContact CE2-CB 4.36Å; I371-F382 HydrophobicContact CB-CD2 4.08Å; I371-F382 HydrophobicContact CB-CE1 4.34Å; I371-F382 HydrophobicContact CB-CE2 3.67Å; I371-F382 HydrophobicContact CB-CZ 3.79Å; I371-F382 HydrophobicContact CG1-CD2 3.83Å; I371-F382 HydrophobicContact CG1-CE2 3.37Å; I371-F382 HydrophobicContact CG1-CZ 3.97Å; I371-F382 HydrophobicContact CG2-CE1 4.35Å; I371-F382 HydrophobicContact CG2-CE2 4.08Å; I371-F382 HydrophobicContact CG2-CZ 3.75Å; I371-F382 PolarHBondContact N-O 3.17Å; K380-F382 HydrophobicContact CB-CD1 4.1Å; K380-F382 HydrophobicContact CB-CE1 3.76Å; K380-F382 WeakPolarHBondContact O-CD1 3.32Å; F382-F384 HydrophobicContact CD2-CE2 4.03Å; F382-F384 HydrophobicContact CD2-CZ 4.2Å; F382-F384 AromaticContact CE2-CE2 3.96Å; F382-F384 HydrophobicContact CE2-CE2 3.96Å; F382-F384 HydrophobicContact CE2-CZ 4.16Å |
| 383 | G | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 173.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V343 K369 | V343-G383 PolarHBondContact N-O 2.92Å; V343-G383 PolarHBondContact O-N 2.9Å; K369-G383 CarbonylContact O-C 3.54Å; K369-G383 WeakPolarHBondContact O-CA 3.12Å |
| 384 | F | 93.2 | Very high | 86.9 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 17% | 0.167 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.2 | -179 | -59.3 | -82.5 | 0 | 0 | 0 | 109.2 | I341 F342 V368 K369 I371 F382 K415 | I341-F384 WeakPolarHBondContact O-CA 3.39Å; F342-F384 AromaticContact CD2-CD1 3.97Å; F342-F384 HydrophobicContact CD2-CD1 3.97Å; F342-F384 AromaticContact CD2-CE1 3.45Å; F342-F384 HydrophobicContact CD2-CE1 3.45Å; F342-F384 VanDerWaalsContact CD2-CE1 3.45Å; F342-F384 AromaticContact CD2-CZ 3.96Å; F342-F384 HydrophobicContact CD2-CZ 3.96Å; F342-F384 HydrophobicContact CE2-CE1 4.08Å; F342-F384 HydrophobicContact CE2-CZ 4.13Å; F342-F384 HydrophobicContact CG-CE1 4.4Å; V368-F384 CarbonylContact C-O 3.51Å; V368-F384 WeakPolarHBondContact CA-O 3.44Å; K369-F384 PolarHBondContact N-O 3.03Å; K369-F384 PolarHBondContact O-N 3.5Å; I371-F384 HydrophobicContact CD1-CD2 4.26Å; I371-F384 HydrophobicContact CD1-CE2 4.07Å; I371-F384 HydrophobicContact CG1-CD2 4.17Å; I371-F384 HydrophobicContact CG1-CE2 3.74Å; F382-F384 HydrophobicContact CD2-CE2 4.03Å; F382-F384 HydrophobicContact CD2-CZ 4.2Å; F382-F384 AromaticContact CE2-CE2 3.96Å; F382-F384 HydrophobicContact CE2-CE2 3.96Å; F382-F384 HydrophobicContact CE2-CZ 4.16Å; F384-K415 HydrophobicContact CD1-CD 4.04Å; F384-K415 HydrophobicContact CE1-CD 4.03Å; F384-K415 HydrophobicContact CE1-CG 4.43Å |
| 385 | V | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.1 | 174 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | C340 I341 V343 L355 F359 V365 N367 V368 M387 | C340-V385 CarbonylContact C-O 3.54Å; C340-V385 WeakPolarHBondContact CA-O 3.47Å; I341-V385 HydrophobicContact CB-CB 4.4Å; I341-V385 PolarHBondContact N-O 2.84Å; I341-V385 PolarHBondContact O-N 2.82Å; V343-V385 HydrophobicContact CG2-CG2 4.12Å; L355-V385 HydrophobicContact CB-CG2 4.21Å; L355-V385 HydrophobicContact CD1-CG2 4.23Å; F359-V385 HydrophobicContact CB-CG1 4.15Å; F359-V385 HydrophobicContact CD1-CG1 4.02Å; F359-V385 HydrophobicContact CD2-CG1 4.34Å; F359-V385 HydrophobicContact CD2-CG2 3.97Å; F359-V385 HydrophobicContact CE2-CG2 3.94Å; F359-V385 HydrophobicContact CG-CG1 3.91Å; F359-V385 HydrophobicContact CG-CG2 4.37Å; F359-V385 HydrophobicContact CZ-CG2 4.33Å; V365-V385 HydrophobicContact CG1-CG1 3.73Å; V365-V385 HydrophobicContact CG2-CG1 4.32Å; N367-V385 CarbonylContact O-C 3.56Å; N367-V385 WeakPolarHBondContact O-CA 3.16Å; V368-V385 HydrophobicContact CG1-CG2 4.42Å; V368-V385 HydrophobicContact CG2-CG1 4.25Å; V368-V385 HydrophobicContact CG2-CG2 4.28Å; V385-M387 HydrophobicContact CG1-CG 4.34Å |
| 386 | T | 90.7 | Very high | 88.2 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120.7 | 176.7 | -52.2 | 0 | 0 | 0 | 0 | 108.1 | W339 T366 N367 | W339-T386 WeakPolarHBondContact O-CA 3.46Å; T366-T386 PolarHBondContact N-O 3.18Å; N367-T386 PolarHBondContact N-O 3Å; N367-T386 PolarHBondContact O-N 3.37Å |
| 387 | M | 89.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 155.3 | 176.9 | -61.8 | -170.1 | 73.3 | 0 | 0 | 110.6 | G338 W339 I341 F359 F362 G363 V365 V385 E392 A393 A396 | G338-M387 CarbonylContact C-O 3.55Å; G338-M387 VanDerWaalsContact C-O 3.27Å; G338-M387 WeakPolarHBondContact CA-O 3.42Å; W339-M387 PolarHBondContact N-O 3.26Å; W339-M387 PolarHBondContact O-N 3.42Å; I341-M387 HydrophobicContact CD1-CG 3.95Å; I341-M387 HydrophobicContact CD1-SD 3.6Å; F359-M387 HydrophobicContact CD1-SD 4.04Å; F362-M387 HydrophobicContact CB-CE 4.24Å; G363-M387 VanDerWaalsContact CA-CE 3.48Å; V365-M387 HydrophobicContact CG2-CG 4.44Å; V385-M387 HydrophobicContact CG1-CG 4.34Å; M387-E392 HydrophobicContact CE-CB 4.09Å; M387-A393 HydrophobicContact CB-CB 4.21Å; M387-A393 HydrophobicContact SD-CB 4.07Å; M387-A396 HydrophobicContact SD-CB 4.01Å |
| 388 | T | 88.4 | Confident | 89.6 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -72 | -39.1 | 179.1 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | A364 T366 | A364-T388 HydrophobicContact CB-CG2 4.18Å; A364-T388 PolarHBondContact O-N 2.97Å; A364-T388 VanDerWaalsContact O-N 3.12Å; T366-T388 VanDerWaalsContact OG1-CG2 3.29Å; T366-T388 WeakPolarHBondContact OG1-CG2 3.42Å |
| 389 | N | 89.4 | Confident | 90.1 | Very high | 74 Ų | 74 | 45 Ų | 45 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | trans | -111 | 146.8 | -170.7 | -65.2 | -31 | 0 | 0 | 0 | 112.7 | E392 A393 | N389-E392 HydrophobicContact CB-CB 4.04Å; N389-E392 HydrophobicContact CB-CG 3.98Å; N389-E392 VanDerWaalsContact ND2-CD 3.3Å; N389-E392 PolarHBondContact ND2-OE1 3.39Å; N389-E392 PolarHBondContact ND2-OE2 3.47Å; N389-A393 VanDerWaalsContact O-CB 3.32Å; N389-A393 WeakPolarHBondContact O-CB 3.39Å; N389-A393 PolarHBondContact O-N 3.37Å | ||
| 390 | Y | 89.4 | Confident | 90.6 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.6 | -50.4 | -179.3 | 177.9 | -107.8 | 0 | 0 | 0 | 111.7 | W339 E392 A393 A394 F414 | W339-Y390 VanDerWaalsContact CD1-CA 3.49Å; W339-Y390 AromaticContact CD2-CD2 3.61Å; W339-Y390 HydrophobicContact CD2-CD2 3.61Å; W339-Y390 HydrophobicContact CD2-CG 4.25Å; W339-Y390 VanDerWaalsContact CE2-CB 3.44Å; W339-Y390 AromaticContact CE2-CD2 3.83Å; W339-Y390 AromaticContact CE3-CD2 3.45Å; W339-Y390 HydrophobicContact CE3-CD2 3.45Å; W339-Y390 VanDerWaalsContact CE3-CD2 3.45Å; W339-Y390 HydrophobicContact CE3-CE2 4.11Å; W339-Y390 HydrophobicContact CE3-CG 4.45Å; W339-Y390 HydrophobicContact CG-CD2 4.33Å; W339-Y390 AromaticContact CH2-CD2 3.7Å; W339-Y390 HydrophobicContact CH2-CD2 3.7Å; W339-Y390 HydrophobicContact CH2-CE2 4.35Å; W339-Y390 HydrophobicContact CH2-CG 4.2Å; W339-Y390 AromaticContact CZ2-CD2 3.89Å; W339-Y390 HydrophobicContact CZ2-CD2 3.89Å; W339-Y390 HydrophobicContact CZ2-CG 4.04Å; W339-Y390 AromaticContact CZ3-CD2 3.49Å; W339-Y390 HydrophobicContact CZ3-CD2 3.49Å; W339-Y390 VanDerWaalsContact CZ3-CD2 3.49Å; W339-Y390 AromaticContact CZ3-CE2 3.93Å; W339-Y390 HydrophobicContact CZ3-CE2 3.93Å; W339-Y390 HydrophobicContact CZ3-CG 4.41Å; Y390-E392 VanDerWaalsContact C-N 3.34Å; Y390-E392 PolarHBondContact O-N 2.93Å; Y390-A393 CarbonylContact O-C 3.59Å; Y390-A393 WeakPolarHBondContact O-CA 3.25Å; Y390-A393 WeakPolarHBondContact O-CB 3.22Å; Y390-A393 PolarHBondContact O-N 3.05Å; Y390-A393 VanDerWaalsContact O-N 3.1Å; Y390-A394 PolarHBondContact O-N 3.33Å; Y390-F414 HydrophobicContact CD2-CE1 4.24Å; Y390-F414 AromaticContact CD2-CZ 3.95Å; Y390-F414 HydrophobicContact CD2-CZ 3.95Å; Y390-F414 HydrophobicContact CE2-CE1 4.11Å; Y390-F414 AromaticContact CE2-CE2 3.96Å; Y390-F414 HydrophobicContact CE2-CE2 3.96Å; Y390-F414 AromaticContact CE2-CZ 3.54Å; Y390-F414 HydrophobicContact CE2-CZ 3.54Å |
| 391 | D | 90.2 | Very high | 91 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.4 | -43.2 | -175.4 | -61.1 | -84.3 | 0 | 0 | 0 | 111.1 | A393 A394 V395 | D391-A393 PolarHBondContact O-N 2.78Å; D391-A394 PolarHBondContact O-N 2.78Å; D391-V395 WeakPolarHBondContact O-CG2 3.27Å; D391-V395 PolarHBondContact O-N 3.26Å |
| 392 | E | 90.8 | Very high | 91.1 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 29% | 0.29 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.2 | -70.4 | 174.6 | -161.6 | 0 | 0 | 112 | F362 G363 A364 M387 N389 Y390 A394 V395 A396 | F362-E392 VanDerWaalsContact O-CB 3.25Å; F362-E392 WeakPolarHBondContact O-CB 3.33Å; F362-E392 WeakPolarHBondContact O-CG 3.3Å; G363-E392 WeakPolarHBondContact CA-OE2 3.34Å; A364-E392 PolarHBondContact N-OE2 2.95Å; M387-E392 HydrophobicContact CE-CB 4.09Å; N389-E392 HydrophobicContact CB-CB 4.04Å; N389-E392 HydrophobicContact CB-CG 3.98Å; N389-E392 VanDerWaalsContact ND2-CD 3.3Å; N389-E392 PolarHBondContact ND2-OE1 3.39Å; N389-E392 PolarHBondContact ND2-OE2 3.47Å; Y390-E392 VanDerWaalsContact C-N 3.34Å; Y390-E392 PolarHBondContact O-N 2.93Å; E392-A394 PolarHBondContact O-N 2.97Å; E392-V395 PolarHBondContact O-N 3.13Å; E392-A396 WeakPolarHBondContact O-CB 3.5Å; E392-A396 PolarHBondContact O-N 3.43Å |
| 393 | A | 90.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W339 I341 M387 N389 Y390 D391 A396 I397 F414 | W339-A393 HydrophobicContact CB-CB 3.99Å; I341-A393 HydrophobicContact CD1-CB 3.84Å; I341-A393 HydrophobicContact CG1-CB 4.28Å; M387-A393 HydrophobicContact CB-CB 4.21Å; M387-A393 HydrophobicContact SD-CB 4.07Å; N389-A393 VanDerWaalsContact O-CB 3.32Å; N389-A393 WeakPolarHBondContact O-CB 3.39Å; N389-A393 PolarHBondContact O-N 3.37Å; Y390-A393 CarbonylContact O-C 3.59Å; Y390-A393 WeakPolarHBondContact O-CA 3.25Å; Y390-A393 WeakPolarHBondContact O-CB 3.22Å; Y390-A393 PolarHBondContact O-N 3.05Å; Y390-A393 VanDerWaalsContact O-N 3.1Å; D391-A393 PolarHBondContact O-N 2.78Å; A393-A396 PolarHBondContact O-N 2.93Å; A393-I397 WeakPolarHBondContact O-CD1 3.38Å; A393-I397 VanDerWaalsContact O-CG1 3.23Å; A393-I397 WeakPolarHBondContact O-CG1 3.29Å; A393-I397 PolarHBondContact O-N 2.97Å; A393-F414 HydrophobicContact CB-CE1 3.89Å; A393-F414 HydrophobicContact CB-CZ 4.22Å |
| 394 | A | 90.6 | Very high | 91.1 | Very high | 33 Ų | 33 | 57.2 Ų | 57.2 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y390 D391 E392 I397 A398 F414 | Y390-A394 PolarHBondContact O-N 3.33Å; D391-A394 PolarHBondContact O-N 2.78Å; E392-A394 PolarHBondContact O-N 2.97Å; A394-I397 PolarHBondContact O-N 3.01Å; A394-A398 WeakPolarHBondContact O-CB 3.23Å; A394-A398 PolarHBondContact O-N 2.85Å; A394-F414 HydrophobicContact CB-CE2 4.43Å; A394-F414 HydrophobicContact CB-CZ 4.17Å |
| 395 | V | 93.2 | Very high | 90.6 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | F362 D391 E392 A398 S399 | F362-V395 HydrophobicContact CD1-CG1 4.07Å; F362-V395 HydrophobicContact CE1-CG1 4.46Å; D391-V395 WeakPolarHBondContact O-CG2 3.27Å; D391-V395 PolarHBondContact O-N 3.26Å; E392-V395 PolarHBondContact O-N 3.13Å; V395-A398 PolarHBondContact O-N 3.46Å; V395-S399 WeakPolarHBondContact O-CB 3.4Å; V395-S399 PolarHBondContact O-N 3.44Å; V395-S399 PolarHBondContact O-OG 2.94Å |
| 396 | A | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F359 F362 M387 E392 A393 S399 L400 | F359-A396 HydrophobicContact CD1-CB 3.88Å; F359-A396 HydrophobicContact CE1-CB 3.98Å; F362-A396 HydrophobicContact CB-CB 3.65Å; F362-A396 HydrophobicContact CD1-CB 4.34Å; F362-A396 HydrophobicContact CD2-CB 4.04Å; F362-A396 HydrophobicContact CG-CB 3.75Å; M387-A396 HydrophobicContact SD-CB 4.01Å; E392-A396 WeakPolarHBondContact O-CB 3.5Å; E392-A396 PolarHBondContact O-N 3.43Å; A393-A396 PolarHBondContact O-N 2.93Å; A396-S399 PolarHBondContact O-N 3.41Å; A396-L400 VanDerWaalsContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CG 3.02Å; A396-L400 PolarHBondContact O-N 3.47Å |
| 397 | I | 93.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 176.2 | -71.5 | 160.8 | 0 | 0 | 0 | 110.6 | I341 A393 A394 S399 L400 N401 V412 F414 | I341-I397 HydrophobicContact CD1-CD1 4.44Å; I341-I397 HydrophobicContact CD1-CG1 4.23Å; I341-I397 HydrophobicContact CG1-CD1 4.17Å; I341-I397 HydrophobicContact CG1-CG1 4.33Å; I341-I397 HydrophobicContact CG2-CD1 4.24Å; I341-I397 HydrophobicContact CG2-CG1 3.8Å; A393-I397 WeakPolarHBondContact O-CD1 3.38Å; A393-I397 VanDerWaalsContact O-CG1 3.23Å; A393-I397 WeakPolarHBondContact O-CG1 3.29Å; A393-I397 PolarHBondContact O-N 2.97Å; A394-I397 PolarHBondContact O-N 3.01Å; I397-S399 PolarHBondContact O-N 3.49Å; I397-L400 PolarHBondContact O-N 3.1Å; I397-N401 WeakPolarHBondContact O-CB 3.36Å; I397-N401 PolarHBondContact O-N 3.26Å; I397-V412 HydrophobicContact CB-CG1 4.41Å; I397-V412 HydrophobicContact CG1-CG1 3.92Å; I397-V412 WeakPolarHBondContact CG2-O 3.46Å; I397-F414 HydrophobicContact CD1-CB 4.48Å; I397-F414 HydrophobicContact CD1-CD1 3.63Å; I397-F414 HydrophobicContact CD1-CD2 3.48Å; I397-F414 VanDerWaalsContact CD1-CD2 3.48Å; I397-F414 HydrophobicContact CD1-CE1 3.56Å; I397-F414 HydrophobicContact CD1-CE2 3.41Å; I397-F414 VanDerWaalsContact CD1-CE2 3.41Å; I397-F414 HydrophobicContact CD1-CG 3.59Å; I397-F414 HydrophobicContact CD1-CZ 3.45Å; I397-F414 VanDerWaalsContact CD1-CZ 3.45Å |
| 398 | A | 91.9 | Very high | 89.7 | Confident | 81 Ų | 81 | 72 Ų | 72 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.2 | -33.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A394 V395 | A394-A398 WeakPolarHBondContact O-CB 3.23Å; A394-A398 PolarHBondContact O-N 2.85Å; V395-A398 PolarHBondContact O-N 3.46Å |
| 399 | S | 91.4 | Very high | 89.8 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -85.9 | -33.2 | -177 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | F362 V395 A396 I397 | F362-S399 WeakPolarHBondContact CE1-OG 3.39Å; V395-S399 WeakPolarHBondContact O-CB 3.4Å; V395-S399 PolarHBondContact O-N 3.44Å; V395-S399 PolarHBondContact O-OG 2.94Å; A396-S399 PolarHBondContact O-N 3.41Å; I397-S399 PolarHBondContact O-N 3.49Å |
| 400 | L | 92 | Very high | 89.9 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -100.2 | -17.1 | -174.4 | -63.9 | 173.8 | 0 | 0 | 0 | 113.5 | M358 F359 F362 A396 I397 G402 Y403 V412 | M358-L400 HydrophobicContact CB-CD1 4.37Å; M358-L400 HydrophobicContact CB-CD2 4.39Å; M358-L400 HydrophobicContact CE-CD2 4.33Å; M358-L400 HydrophobicContact SD-CD2 4.3Å; F359-L400 HydrophobicContact CD1-CD1 3.89Å; F359-L400 HydrophobicContact CD2-CD1 3.78Å; F359-L400 HydrophobicContact CE1-CD1 3.69Å; F359-L400 HydrophobicContact CE2-CD1 3.59Å; F359-L400 HydrophobicContact CG-CD1 3.94Å; F359-L400 HydrophobicContact CZ-CD1 3.55Å; F362-L400 HydrophobicContact CD2-CD1 4.17Å; F362-L400 HydrophobicContact CE2-CD1 3.85Å; F362-L400 HydrophobicContact CE2-CD2 4.06Å; F362-L400 HydrophobicContact CE2-CG 3.87Å; F362-L400 HydrophobicContact CZ-CD2 4.5Å; F362-L400 HydrophobicContact CZ-CG 4.33Å; A396-L400 VanDerWaalsContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CG 3.02Å; A396-L400 PolarHBondContact O-N 3.47Å; I397-L400 PolarHBondContact O-N 3.1Å; L400-G402 PolarHBondContact O-N 3.46Å; L400-Y403 HydrophobicContact CD2-CD2 4.48Å; L400-Y403 HydrophobicContact CD2-CG 4.41Å; L400-Y403 WeakPolarHBondContact O-CB 3.39Å; L400-Y403 PolarHBondContact O-N 3.28Å; L400-V412 HydrophobicContact CB-CG2 3.93Å; L400-V412 WeakPolarHBondContact O-CG2 3.43Å |
| 401 | N | 91.8 | Very high | 90 | Very high | 88 Ų | 88 | 69 Ų | 69 | 47% | 0.471 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 116.6 | 172.4 | -170.5 | 28.7 | 0 | 0 | 0 | 109.6 | I397 Q411 V412 | I397-N401 WeakPolarHBondContact O-CB 3.36Å; I397-N401 PolarHBondContact O-N 3.26Å; N401-Q411 WeakPolarHBondContact OD1-CA 3.48Å; N401-V412 HydrophobicContact CB-CB 4.04Å; N401-V412 VanDerWaalsContact CG-O 3.29Å; N401-V412 PolarHBondContact OD1-N 2.8Å; N401-V412 PolarHBondContact OD1-O 2.88Å |
| 402 | G | 88.9 | Confident | 90.2 | Very high | 43 Ų | 43 | 63.3 Ų | 63.3 | 44% | 0.443 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 2.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L400 V409 L410 | L400-G402 PolarHBondContact O-N 3.46Å; G402-V409 WeakPolarHBondContact O-CG1 3.49Å; G402-L410 WeakPolarHBondContact CA-O 3.47Å; G402-L410 PolarHBondContact N-O 2.97Å |
| 403 | Y | 90.3 | Very high | 90.2 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | trans | -68 | 135.3 | 178.5 | -173.7 | -95 | 0 | 0 | 0 | 111.8 | M358 L400 L405 V409 L410 | M358-Y403 HydrophobicContact CE-CD1 3.81Å; M358-Y403 HydrophobicContact CE-CE1 4.07Å; M358-Y403 HydrophobicContact SD-CD1 3.78Å; M358-Y403 HydrophobicContact SD-CE1 3.46Å; M358-Y403 WeakPolarHBondContact SD-CE1 3.47Å; L400-Y403 HydrophobicContact CD2-CD2 4.48Å; L400-Y403 HydrophobicContact CD2-CG 4.41Å; L400-Y403 WeakPolarHBondContact O-CB 3.39Å; L400-Y403 PolarHBondContact O-N 3.28Å; Y403-L405 HydrophobicContact CD1-CB 4.44Å; Y403-L405 HydrophobicContact CE1-CD1 4.24Å; Y403-V409 WeakPolarHBondContact O-CA 3.49Å; Y403-L410 HydrophobicContact CD1-CD1 4.31Å; Y403-L410 PolarHBondContact O-N 2.89Å | ||
| 404 | R | 89.9 | Confident | 90.3 | Very high | 197 Ų | 197 | 66 Ų | 66 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110.9 | 179.6 | -68.1 | -171.6 | 176.8 | -144.5 | 1.1 | 110.6 | R408 V409 | R404-R408 CarbonylContact C-O 3.55Å; R404-R408 WeakPolarHBondContact CA-O 3.19Å; R404-V409 HydrophobicContact CG-CG2 4.17Å |
| 405 | L | 83.6 | Confident | 90 | Very high | 30 Ų | 30 | 68.4 Ų | 68.4 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 96.2 | 174.7 | -167.9 | 69.5 | 0 | 0 | 0 | 108.9 | I354 Y403 R408 L410 | I354-L405 HydrophobicContact CD1-CD1 3.82Å; I354-L405 HydrophobicContact CD1-CD2 4.09Å; I354-L405 HydrophobicContact CD1-CG 4.4Å; I354-L405 HydrophobicContact CG1-CD1 4.39Å; I354-L405 HydrophobicContact CG2-CD2 4.39Å; Y403-L405 HydrophobicContact CD1-CB 4.44Å; Y403-L405 HydrophobicContact CE1-CD1 4.24Å; L405-R408 PolarHBondContact N-O 3.38Å; L405-R408 PolarHBondContact O-N 3.33Å; L405-L410 HydrophobicContact CB-CD1 4.15Å; L405-L410 HydrophobicContact CB-CD2 4.15Å; L405-L410 HydrophobicContact CB-CG 4.06Å; L405-L410 HydrophobicContact CD2-CD1 4.23Å; L405-L410 HydrophobicContact CD2-CD2 4.31Å |
| 406 | G | 82.3 | Confident | 89.2 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 77% | 0.773 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | -128.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R408 | G406-R408 VanDerWaalsContact C-N 3.29Š|
| 407 | D | 84.8 | Confident | 87.3 | Confident | 169 Ų | 169 | 75.3 Ų | 75.3 | 90% | 0.904 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.3 | 177.5 | -159.7 | -114.9 | 0 | 0 | 0 | 113.2 | ||
| 408 | R | 86.4 | Confident | 85 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 37% | 0.37 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 143.8 | -174.8 | -64.1 | -173.8 | -179.7 | -157.1 | -7.3 | 112 | L346 R404 L405 G406 | L346-R408 PolarHBondContact O-NH1 3.22Å; R404-R408 CarbonylContact C-O 3.55Å; R404-R408 WeakPolarHBondContact CA-O 3.19Å; L405-R408 PolarHBondContact N-O 3.38Å; L405-R408 PolarHBondContact O-N 3.33Å; G406-R408 VanDerWaalsContact C-N 3.29Å |
| 409 | V | 90.9 | Very high | 82.5 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 36% | 0.358 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.7 | 174.1 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | N345 G402 Y403 R404 | N345-V409 WeakPolarHBondContact CB-O 3.46Å; N345-V409 PolarHBondContact ND2-O 3.5Å; G402-V409 WeakPolarHBondContact O-CG1 3.49Å; Y403-V409 WeakPolarHBondContact O-CA 3.49Å; R404-V409 HydrophobicContact CG-CG2 4.17Å |
| 410 | L | 92.6 | Very high | 79.8 | Confident | 2 Ų | 2 | 91.6 Ų | 91.6 | 1% | 0.01 | 48% | 0.478 | C | S | . | . | trans | -71.3 | 141.9 | 179.8 | -58.8 | -173.4 | 0 | 0 | 0 | 111.1 | L346 M358 G402 Y403 L405 V412 | L346-L410 HydrophobicContact CD2-CD1 4.47Å; L346-L410 HydrophobicContact CD2-CD2 3.78Å; L346-L410 HydrophobicContact CG-CD2 4.5Å; M358-L410 HydrophobicContact CE-CD1 3.29Å; G402-L410 WeakPolarHBondContact CA-O 3.47Å; G402-L410 PolarHBondContact N-O 2.97Å; Y403-L410 HydrophobicContact CD1-CD1 4.31Å; Y403-L410 PolarHBondContact O-N 2.89Å; L405-L410 HydrophobicContact CB-CD1 4.15Å; L405-L410 HydrophobicContact CB-CD2 4.15Å; L405-L410 HydrophobicContact CB-CG 4.06Å; L405-L410 HydrophobicContact CD2-CD1 4.23Å; L405-L410 HydrophobicContact CD2-CD2 4.31Å; L410-V412 HydrophobicContact CB-CG2 4.37Å | ||
| 411 | Q | 91.3 | Very high | 77 | Confident | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.2 | 170.5 | -71.4 | -177 | -18.8 | 0 | 0 | 108.6 | V343 Y344 N401 | V343-Q411 CarbonylContact C-O 3.52Å; V343-Q411 WeakPolarHBondContact CA-O 3.38Å; Y344-Q411 PolarHBondContact N-O 2.83Å; Y344-Q411 PolarHBondContact O-N 3.45Å; N401-Q411 WeakPolarHBondContact OD1-CA 3.48Å |
| 412 | V | 93.7 | Very high | 74.2 | Confident | 2 Ų | 2 | 104.8 Ų | 104.8 | 1% | 0.012 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122 | 128.9 | -174.9 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | I341 F342 V343 F359 I397 L400 N401 L410 | I341-V412 HydrophobicContact CG2-CG1 3.34Å; F342-V412 WeakPolarHBondContact O-CA 3.48Å; V343-V412 HydrophobicContact CG1-CG2 4.28Å; V343-V412 HydrophobicContact CG2-CG1 4.33Å; F359-V412 HydrophobicContact CE1-CG1 4.27Å; F359-V412 HydrophobicContact CZ-CG1 3.82Å; I397-V412 HydrophobicContact CB-CG1 4.41Å; I397-V412 HydrophobicContact CG1-CG1 3.92Å; I397-V412 WeakPolarHBondContact CG2-O 3.46Å; L400-V412 HydrophobicContact CB-CG2 3.93Å; L400-V412 WeakPolarHBondContact O-CG2 3.43Å; N401-V412 HydrophobicContact CB-CB 4.04Å; N401-V412 VanDerWaalsContact CG-O 3.29Å; N401-V412 PolarHBondContact OD1-N 2.8Å; N401-V412 PolarHBondContact OD1-O 2.88Å; L410-V412 HydrophobicContact CB-CG2 4.37Å |
| 413 | S | 91.5 | Very high | 73.5 | Confident | 52 Ų | 52 | 107.9 Ų | 107.9 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.9 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | I341 F342 | I341-S413 CarbonylContact C-O 3.48Å; I341-S413 WeakPolarHBondContact CA-O 3.27Å; I341-S413 WeakPolarHBondContact CG2-O 3.38Å; F342-S413 PolarHBondContact N-O 2.94Å; F342-S413 PolarHBondContact O-N 2.85Å |
| 414 | F | 91.9 | Very high | 72.6 | Confident | 65 Ų | 65 | 107.9 Ų | 107.9 | 29% | 0.285 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.9 | 168.6 | -74.5 | -69.3 | 0 | 0 | 0 | 110.4 | W339 Y390 A393 A394 I397 T416 | W339-F414 HydrophobicContact CB-CE1 4.29Å; Y390-F414 HydrophobicContact CD2-CE1 4.24Å; Y390-F414 AromaticContact CD2-CZ 3.95Å; Y390-F414 HydrophobicContact CD2-CZ 3.95Å; Y390-F414 HydrophobicContact CE2-CE1 4.11Å; Y390-F414 AromaticContact CE2-CE2 3.96Å; Y390-F414 HydrophobicContact CE2-CE2 3.96Å; Y390-F414 AromaticContact CE2-CZ 3.54Å; Y390-F414 HydrophobicContact CE2-CZ 3.54Å; A393-F414 HydrophobicContact CB-CE1 3.89Å; A393-F414 HydrophobicContact CB-CZ 4.22Å; A394-F414 HydrophobicContact CB-CE2 4.43Å; A394-F414 HydrophobicContact CB-CZ 4.17Å; I397-F414 HydrophobicContact CD1-CB 4.48Å; I397-F414 HydrophobicContact CD1-CD1 3.63Å; I397-F414 HydrophobicContact CD1-CD2 3.48Å; I397-F414 VanDerWaalsContact CD1-CD2 3.48Å; I397-F414 HydrophobicContact CD1-CE1 3.56Å; I397-F414 HydrophobicContact CD1-CE2 3.41Å; I397-F414 VanDerWaalsContact CD1-CE2 3.41Å; I397-F414 HydrophobicContact CD1-CG 3.59Å; I397-F414 HydrophobicContact CD1-CZ 3.45Å; I397-F414 VanDerWaalsContact CD1-CZ 3.45Å; F414-T416 PolarHBondContact O-N 3.26Å; F414-T416 VanDerWaalsContact O-N 3.09Å |
| 415 | K | 84.4 | Confident | 71.6 | Confident | 85 Ų | 85 | 102.9 Ų | 102.9 | 37% | 0.37 | 57% | 0.566 | S | S | . | * | trans | -64.9 | 112 | 177.1 | -179.7 | 178.7 | 175.1 | 178.1 | 0 | 109.8 | C340 F342 F384 | C340-K415 HydrophobicContact CB-CB 4.06Å; C340-K415 HydrophobicContact CB-CD 4.07Å; C340-K415 VanDerWaalsContact O-CB 3.3Å; C340-K415 WeakPolarHBondContact O-CB 3.38Å; C340-K415 PolarHBondContact O-N 3.07Å; C340-K415 WeakPolarHBondContact SG-CD 3.46Å; F342-K415 HydrophobicContact CB-CB 4.49Å; F384-K415 HydrophobicContact CD1-CD 4.04Å; F384-K415 HydrophobicContact CE1-CD 4.03Å; F384-K415 HydrophobicContact CE1-CG 4.43Å | ||
| 416 | T | 77.1 | Confident | 70.9 | Confident | 119 Ų | 119 | 107.2 Ų | 107.2 | 73% | 0.73 | 59% | 0.59 | S | S | * | * | trans | -81.6 | 133.8 | 172.8 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | F414 K418 | F414-T416 PolarHBondContact O-N 3.26Å; F414-T416 VanDerWaalsContact O-N 3.09Å; T416-K418 PolarHBondContact O-N 2.84Å | ||
| 417 | N | 53.1 | Low | 70.2 | Confident | 107 Ų | 107 | 109.3 Ų | 109.3 | 57% | 0.572 | 58% | 0.578 | S | S | * | * | trans | -77.2 | 112.7 | 166.6 | -83.3 | -48.4 | 0 | 0 | 0 | 107.6 | T419 | N417-T419 PolarHBondContact O-N 2.8Š| ||
| 418 | K | 44.8 | Very low | 69.2 | Low | 193 Ų | 193 | 105.3 Ų | 105.3 | 84% | 0.839 | 56% | 0.556 | S | S | * | * | trans | -65.9 | 98 | 166.1 | -92.4 | -179.3 | 174 | 176.6 | 0 | 108.3 | T416 H420 | T416-K418 PolarHBondContact O-N 2.84Å; K418-H420 PolarHBondContact O-N 3.48Å | ||
| 419 | T | 39.9 | Very low | 68 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | trans | -62.7 | 111.5 | 155.3 | 45.2 | 0 | 0 | 0 | 0 | 106.7 | N417 K421 | N417-T419 PolarHBondContact O-N 2.8Å; T419-K421 PolarHBondContact O-N 3.01Å | ||
| 420 | H | 35.3 | Very low | 66.2 | Low | 185 Ų | 185 | 109.4 Ų | 109.4 | 86% | 0.856 | 59% | 0.586 | S | S | * | * | trans | -55.5 | 114.6 | 167.7 | -101.4 | -102.1 | 0 | 0 | 0 | 107.2 | K418 A422 | K418-H420 PolarHBondContact O-N 3.48Å; H420-A422 PolarHBondContact O-N 3.35Å | ||
| 421 | K | 32.9 | Very low | 64 | Low | 206 Ų | 206 | 118.3 Ų | 118.3 | 90% | 0.896 | 63% | 0.634 | S | S | * | * | trans | -65.7 | 117.9 | 170.8 | -162.3 | 176.7 | -178.8 | -175.7 | 0 | 105.8 | T419 | T419-K421 PolarHBondContact O-N 3.01Š| ||
| 422 | A | 32.5 | Very low | 61.6 | Low | 167 Ų | 167 | 119.1 Ų | 119.1 | 100% | 1.38 | 65% | 0.645 | S | S | * | * | trans | -57.7 | 0 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H420 | H420-A422 PolarHBondContact O-N 3.35Š|
Retrieved 422 of 422 residues in 640.7 ms
(Link to these results)