| 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 | 42.4 | Very low | 35 | Very low | 202 Ų | 202 | 144.6 Ų | 144.6 | 100% | 0.995 | 72% | 0.719 | S | S | * | * | 0 | -67.3 | 0 | -66.6 | -45.2 | -175.1 | 0 | 0 | 113.3 | F3 L4 | M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 2.95Å; M1-F3 VanDerWaalsContact O-N 3.11Å; M1-L4 PolarHBondContact O-N 3.5Å | |||
| 2 | A | 33.6 | Very low | 35.1 | Very low | 84 Ų | 84 | 142.3 Ų | 142.3 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -50.7 | -41.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L4 C5 | A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.37Å; A2-C5 PolarHBondContact O-N 3.4Å |
| 3 | F | 27.9 | Very low | 35 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -68.8 | -16.5 | -179.6 | -88.1 | -87 | 0 | 0 | 0 | 116.3 | M1 S6 | M1-F3 VanDerWaalsContact C-N 3.29Å; M1-F3 PolarHBondContact O-N 2.95Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-S6 PolarHBondContact O-OG 3.17Å |
| 4 | L | 34.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -83.4 | -27.3 | 177.2 | -76.6 | 164.8 | 0 | 0 | 0 | 112.3 | M1 A2 | M1-L4 PolarHBondContact O-N 3.5Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.37Å |
| 5 | C | 32.6 | Very low | 34.4 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 52% | 0.52 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -72 | -39.9 | -179 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | A2 Y7 L9 | A2-C5 PolarHBondContact O-N 3.4Å; C5-Y7 VanDerWaalsContact C-N 3.27Å; C5-Y7 PolarHBondContact O-N 2.67Å; C5-L9 PolarHBondContact O-N 2.92Å |
| 6 | S | 34.4 | Very low | 33.9 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 48% | 0.476 | 74% | 0.737 | S | S | . | * | H | α-helix | trans | -67.7 | -22.1 | 178 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | F3 | F3-S6 PolarHBondContact O-OG 3.17Å |
| 7 | Y | 31.4 | Very low | 33.4 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -79.9 | -43.1 | 179.2 | -155.9 | -92.6 | 0 | 0 | 0 | 111.5 | C5 R10 | C5-Y7 VanDerWaalsContact C-N 3.27Å; C5-Y7 PolarHBondContact O-N 2.67Å; Y7-R10 PolarHBondContact O-N 3.48Å |
| 8 | F | 34.4 | Very low | 33 | Very low | 165 Ų | 165 | 149.1 Ų | 149.1 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -66.2 | -39.9 | 176.4 | -97.8 | -88.5 | 0 | 0 | 0 | 113 | R10 | F8-R10 PolarHBondContact O-N 2.98Å; F8-R10 VanDerWaalsContact O-N 3.17Å |
| 9 | L | 39 | Very low | 32.8 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -5.4 | -178.5 | -76.5 | 168.9 | 0 | 0 | 0 | 114.9 | C5 | C5-L9 PolarHBondContact O-N 2.92Š|
| 10 | R | 36.6 | Very low | 32.4 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -6.3 | -174.6 | -135 | 177.9 | -171.2 | -172.4 | 1.4 | 114.8 | Y7 F8 | Y7-R10 PolarHBondContact O-N 3.48Å; F8-R10 PolarHBondContact O-N 2.98Å; F8-R10 VanDerWaalsContact O-N 3.17Å |
| 11 | N | 37.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -124.7 | 4.5 | -166.5 | -129.7 | 45 | 0 | 0 | 0 | 115.2 | C13 | N11-C13 PolarHBondContact O-N 3.16Š|
| 12 | T | 36.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -98.5 | 80 | 178.2 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | C | 34 | Very low | 31.3 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | -70 | 138.2 | 164.6 | -74.1 | 0 | 0 | 0 | 0 | 111 | N11 F15 | N11-C13 PolarHBondContact O-N 3.16Å; C13-F15 PolarHBondContact O-N 2.71Å | ||
| 14 | S | 33.5 | Very low | 31.3 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 19.8 | 90.4 | 165.2 | -59.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 15 | F | 27.3 | Very low | 30.9 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -104.7 | 105.9 | 148.9 | -92 | -92.2 | 0 | 0 | 0 | 109.4 | C13 F17 | C13-F15 PolarHBondContact O-N 2.71Å; F15-F17 PolarHBondContact O-N 3.33Å | ||
| 16 | Y | 26.5 | Very low | 30.7 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -75.2 | 117.6 | 172.4 | -91 | -95.7 | 0 | 0 | 0 | 110 | H18 | Y16-H18 PolarHBondContact O-N 3.2Š| ||
| 17 | F | 25.8 | Very low | 30.2 | Very low | 190 Ų | 190 | 157.2 Ų | 157.2 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | trans | -78.7 | 95.5 | 171.9 | -106.4 | -91.7 | 0 | 0 | 0 | 110.6 | F15 V19 | F15-F17 PolarHBondContact O-N 3.33Å; F17-V19 PolarHBondContact O-N 3.2Å | ||
| 18 | H | 25.7 | Very low | 30 | Very low | 165 Ų | 165 | 154.2 Ų | 154.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -79.3 | 101 | 166.7 | -109.9 | -81.6 | 0 | 0 | 0 | 110.1 | Y16 N20 | Y16-H18 PolarHBondContact O-N 3.2Å; H18-N20 PolarHBondContact O-N 3.29Å | ||
| 19 | V | 28.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 155.9 Ų | 155.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -82.3 | 90.4 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | F17 L21 | F17-V19 PolarHBondContact O-N 3.2Å; V19-L21 PolarHBondContact O-N 3.08Å | ||
| 20 | N | 25.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 160.4 Ų | 160.4 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 99.3 | 169 | -93.4 | -23.8 | 0 | 0 | 0 | 110.3 | H18 T22 | H18-N20 PolarHBondContact O-N 3.29Å; N20-T22 PolarHBondContact O-N 3.11Å | ||
| 21 | L | 27.4 | Very low | 28.5 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | -88.6 | 68.5 | -177.6 | -167.1 | 79.1 | 0 | 0 | 0 | 112.4 | V19 R23 | V19-L21 PolarHBondContact O-N 3.08Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 HydrophobicContact CG-CG 4.37Å; L21-R23 PolarHBondContact O-N 3.4Å | ||
| 22 | T | 28.9 | Very low | 28 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -76.9 | 72.2 | 174.9 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | N20 H24 | N20-T22 PolarHBondContact O-N 3.11Å; T22-H24 PolarHBondContact O-N 3.4Å | ||
| 23 | R | 29.3 | Very low | 27.6 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 68% | 0.683 | 78% | 0.783 | S | S | * | * | trans | -80.2 | 108.2 | 169.2 | -85 | -172.3 | 168.5 | -173.5 | -5.1 | 111.1 | L21 F25 | L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 HydrophobicContact CG-CG 4.37Å; L21-R23 PolarHBondContact O-N 3.4Å; R23-F25 HydrophobicContact CB-CD2 4.24Å; R23-F25 PolarHBondContact O-N 2.82Å; R23-F25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | H | 27.3 | Very low | 27.5 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -74 | 92.3 | 162.1 | -88.4 | -79.9 | 0 | 0 | 0 | 110.4 | T22 Q26 | T22-H24 PolarHBondContact O-N 3.4Å; H24-Q26 PolarHBondContact O-N 2.96Å | ||
| 25 | F | 26.7 | Very low | 27.4 | Very low | 146 Ų | 146 | 161.3 Ų | 161.3 | 64% | 0.64 | 79% | 0.789 | S | S | * | * | trans | -80.5 | 103 | 166.2 | -94.6 | -75.9 | 0 | 0 | 0 | 110.4 | R23 L27 | R23-F25 HydrophobicContact CB-CD2 4.24Å; R23-F25 PolarHBondContact O-N 2.82Å; R23-F25 VanDerWaalsContact O-N 3.11Å; F25-L27 PolarHBondContact O-N 3.27Å | ||
| 26 | Q | 27.3 | Very low | 27.6 | Very low | 178 Ų | 178 | 161.5 Ų | 161.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -85.3 | 93.4 | 158.9 | -76.5 | -168.1 | -10.3 | 0 | 0 | 109.4 | H24 C28 | H24-Q26 PolarHBondContact O-N 2.96Å; Q26-C28 VanDerWaalsContact C-N 3.34Å; Q26-C28 PolarHBondContact O-N 3.21Å | ||
| 27 | L | 25.5 | Very low | 27.7 | Very low | 151 Ų | 151 | 162 Ų | 162 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -77.2 | 81.7 | 174 | -83.9 | 164 | 0 | 0 | 0 | 110.8 | F25 K29 | F25-L27 PolarHBondContact O-N 3.27Å; L27-K29 VanDerWaalsContact C-N 3.28Å; L27-K29 PolarHBondContact O-N 3.27Å | ||
| 28 | C | 27.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 162.8 Ų | 162.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -66.7 | 87.1 | 165.7 | -82.3 | 0 | 0 | 0 | 0 | 110.2 | Q26 R30 | Q26-C28 VanDerWaalsContact C-N 3.34Å; Q26-C28 PolarHBondContact O-N 3.21Å; C28-R30 PolarHBondContact O-N 2.93Å | ||
| 29 | K | 25.9 | Very low | 27.9 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 92.8 | -177.3 | -159 | 177.7 | -171.4 | -178 | 0 | 110.4 | L27 A31 | L27-K29 VanDerWaalsContact C-N 3.28Å; L27-K29 PolarHBondContact O-N 3.27Å; K29-A31 PolarHBondContact O-N 3.27Å | ||
| 30 | R | 24.3 | Very low | 28.2 | Very low | 233 Ų | 233 | 161.1 Ų | 161.1 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.5 | 171.9 | -158.1 | 172.7 | -168.8 | 154.2 | 1.4 | 108.8 | C28 | C28-R30 PolarHBondContact O-N 2.93Š|
| 31 | A | 27.3 | Very low | 28.1 | Very low | 85 Ų | 85 | 164.5 Ų | 164.5 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 118.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K29 | K29-A31 PolarHBondContact O-N 3.27Š|
| 32 | D | 26.6 | Very low | 27.9 | Very low | 152 Ų | 152 | 163.2 Ų | 163.2 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 135.4 | 177.5 | -62.4 | -55.7 | 0 | 0 | 0 | 111.9 | P34 | D32-P34 WeakPolarHBondContact O-CD 3.49Š|
| 33 | F | 28.4 | Very low | 27.6 | Very low | 201 Ų | 201 | 163.2 Ų | 163.2 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 120.8 | 174.6 | -95.4 | -89 | 0 | 0 | 0 | 111.3 | ||
| 34 | P | 32.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 163.5 | 163.9 | 34.1 | -31.7 | 0 | 0 | 0 | 112.8 | D32 | D32-P34 WeakPolarHBondContact O-CD 3.49Š|
| 35 | L | 31.8 | Very low | 27.1 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 153.6 | -164.5 | -77.9 | 152.4 | 0 | 0 | 0 | 116.5 | ||
| 36 | K | 29.9 | Very low | 27.7 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -22.7 | 136.3 | 165.3 | -63.4 | 169 | 176.4 | 170.7 | 0 | 116.9 | ||||
| 37 | K | 28.5 | Very low | 27.7 | Very low | 215 Ų | 215 | 155.9 Ų | 155.9 | 94% | 0.935 | 82% | 0.821 | S | S | * | * | trans | -152.5 | 172.2 | 140.2 | -112 | 161.9 | -171.2 | 175.8 | 0 | 111.9 | ||||
| 38 | K | 29.1 | Very low | 27.7 | Very low | 207 Ų | 207 | 155.6 Ų | 155.6 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | trans | -92.5 | 160.7 | -158.5 | -62.7 | 178.1 | 177.3 | 179.7 | 0 | 114.6 | ||||
| 39 | T | 27.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 155 Ų | 155 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -74.4 | 161.7 | 168.5 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 40 | P | 34.7 | Very low | 27.9 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | -151.7 | 148.8 | 78.2 | 38.2 | -17.8 | 0 | 0 | 0 | 119.2 | |||||
| 41 | F | 23.8 | Very low | 28.2 | Very low | 207 Ų | 207 | 145.6 Ų | 145.6 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | trans | 49.6 | 159.3 | 141.9 | -78.8 | -82.1 | 0 | 0 | 0 | 126.3 | ||||
| 42 | S | 22.4 | Very low | 28.1 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | 76 | 108.6 | 169.5 | -149.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 43 | V | 23.4 | Very low | 27.9 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | 78.3 | 103.5 | 52.8 | -178.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 44 | C | 21.7 | Very low | 27.8 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -171.2 | 141.2 | 132.7 | -101 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 45 | S | 23.7 | Very low | 27.3 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -114.8 | 170.5 | 167.2 | -52 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 46 | P | 39.7 | Very low | 27 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | -154.5 | 148.1 | 105.2 | 35.1 | -16.2 | 0 | 0 | 0 | 118.4 | |||||
| 47 | K | 27.7 | Very low | 26.9 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 153.1 | 144.4 | -69.6 | 172.4 | -177.8 | 178.8 | 0 | 117.7 | ||||
| 48 | I | 26.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | cis | -152.3 | 152 | 6.5 | -135 | 160.7 | 0 | 0 | 0 | 112.4 | ||||
| 49 | S | 25.6 | Very low | 26.7 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 42.5 | 144.5 | 160 | -105.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 50 | S | 31.7 | Very low | 26.7 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | cis | -172.6 | 149.5 | -9.5 | 32.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 51 | N | 28.9 | Very low | 26.3 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | 41 | 136.7 | 140.8 | -53 | -18.8 | 0 | 0 | 0 | 120.2 | ||||
| 52 | L | 25.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | cis | -161.8 | -173.9 | 2.5 | -139.7 | 65.7 | 0 | 0 | 0 | 105.9 | ||||
| 53 | R | 23.4 | Very low | 26.3 | Very low | 219 Ų | 219 | 140.5 Ų | 140.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | cis | -151.1 | -177.3 | 7.8 | -164.4 | -174.1 | -76.7 | -112.5 | 2.3 | 107.9 | ||||
| 54 | V | 25.7 | Very low | 26.3 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -128.1 | 141.9 | -173.1 | 175.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 55 | C | 22.2 | Very low | 26.4 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -162.6 | 135.9 | 144 | -98.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 56 | A | 25.7 | Very low | 26.7 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | cis | 68 | 129.1 | 41.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 57 | T | 26.4 | Very low | 26.2 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | cis | -144.9 | 178.6 | 20.5 | 47.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 58 | R | 26.4 | Very low | 26.1 | Very low | 232 Ų | 232 | 144.7 Ų | 144.7 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -38.7 | 144 | 161.6 | -59.5 | 166 | 167.7 | 172.7 | -6.9 | 113.5 | ||||
| 59 | Q | 27.1 | Very low | 26.2 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | -173.6 | 155.3 | 101.2 | -104.2 | 178 | -14.5 | 0 | 0 | 112.7 | |||||
| 60 | S | 29 | Very low | 26.2 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -98.9 | 133.5 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 61 | F | 24.6 | Very low | 25.9 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 157.5 | 159.4 | -110 | -78.9 | 0 | 0 | 0 | 111.7 | ||||
| 62 | S | 23.6 | Very low | 25.9 | Very low | 91 Ų | 91 | 143.5 Ų | 143.5 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | trans | -115.5 | 141.7 | -179.4 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 63 | L | 23.9 | Very low | 26 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | 167.4 | 138.5 | 118.4 | -104.1 | 102.8 | 0 | 0 | 0 | 112.7 | |||||
| 64 | C | 23.3 | Very low | 26.4 | Very low | 129 Ų | 129 | 146 Ų | 146 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | 22.3 | 128.3 | 138.7 | -155.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 65 | G | 24.4 | Very low | 26.4 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 172.3 | 106.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 66 | N | 28.5 | Very low | 26.7 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -57.6 | 133.2 | 179.1 | -76.1 | -43.4 | 0 | 0 | 0 | 115.1 | ||||
| 67 | V | 28.8 | Very low | 27.1 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -138 | 150.3 | 146.8 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 68 | R | 27.1 | Very low | 27.4 | Very low | 240 Ų | 240 | 146.4 Ų | 146.4 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -63.4 | 148.6 | -170.5 | -67.9 | 173.8 | 174.8 | 149.8 | -1.9 | 114.5 | ||||
| 69 | A | 27.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 149.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 70 | V | 26.4 | Very low | 28.5 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | trans | -126.5 | 115.7 | 153 | 176.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 71 | C | 26.4 | Very low | 29 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 75% | 0.75 | 81% | 0.811 | S | S | * | * | trans | -110.7 | 108.4 | -173.7 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | R73 | C71-R73 PolarHBondContact O-N 3.4Š| ||
| 72 | S | 28 | Very low | 29.7 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -75.6 | 109.9 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | I74 | S72-I74 PolarHBondContact O-N 2.96Š| ||
| 73 | R | 27 | Very low | 30.8 | Very low | 240 Ų | 240 | 140.8 Ų | 140.8 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -70.6 | 119.5 | 178.1 | -66.3 | -179.8 | 177.5 | -177.3 | -1.5 | 111.1 | C71 | C71-R73 PolarHBondContact O-N 3.4Š| ||
| 74 | I | 32.1 | Very low | 31.7 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -92.5 | 119.9 | 152 | -64.3 | 175 | 0 | 0 | 0 | 106.3 | S72 S76 | S72-I74 PolarHBondContact O-N 2.96Å; I74-S76 PolarHBondContact O-N 3.12Å | ||
| 75 | G | 26.3 | Very low | 32.8 | Very low | 68 Ų | 68 | 144.3 Ų | 144.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -80.7 | 113.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 76 | S | 29.6 | Very low | 33.6 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -77.6 | 119.9 | 163.6 | 43.9 | 0 | 0 | 0 | 0 | 110 | I74 Q78 | I74-S76 PolarHBondContact O-N 3.12Å; S76-Q78 PolarHBondContact O-N 3.49Å | ||
| 77 | V | 32.5 | Very low | 35 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -75 | 94.7 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | T79 | V77-T79 HydrophobicContact CG1-CG2 4.45Å; V77-T79 PolarHBondContact O-N 3.08Å | ||
| 78 | Q | 33.8 | Very low | 36.3 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -86.2 | 92.5 | -178.5 | -168 | 172.7 | 14.5 | 0 | 0 | 110.6 | S76 Q80 | S76-Q78 PolarHBondContact O-N 3.49Å; Q78-Q80 PolarHBondContact O-N 3.31Å | ||
| 79 | T | 36.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -69 | 92.6 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | V77 W81 | V77-T79 HydrophobicContact CG1-CG2 4.45Å; V77-T79 PolarHBondContact O-N 3.08Å; T79-W81 PolarHBondContact O-N 3.43Å | ||
| 80 | Q | 39.8 | Very low | 38.6 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -69.3 | 89.4 | 172.2 | -76.3 | -172.8 | -40 | 0 | 0 | 111.3 | Q78 | Q78-Q80 PolarHBondContact O-N 3.31Š| ||
| 81 | W | 40.1 | Very low | 39.8 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 80% | 0.803 | 78% | 0.778 | S | S | * | * | trans | -115.9 | 51.3 | 158.4 | -88.6 | 68.2 | 0 | 0 | 0 | 110 | T79 H83 | T79-W81 PolarHBondContact O-N 3.43Å; W81-H83 AromaticContact CE3-NE2 3.56Å; W81-H83 AromaticContact CZ3-NE2 3.76Å; W81-H83 PolarHBondContact O-N 3.06Å; W81-H83 VanDerWaalsContact O-N 3.1Å | ||
| 82 | G | 39 | Very low | 41 | Very low | 62 Ų | 62 | 152.2 Ų | 152.2 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | -76 | 88.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | H84 | G82-H84 PolarHBondContact O-N 3.03Š| ||
| 83 | H | 45.8 | Very low | 42.4 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 61% | 0.611 | 78% | 0.779 | S | S | * | * | trans | -63.8 | 105.5 | 164.9 | -76.3 | -71.7 | 0 | 0 | 0 | 108.8 | W81 F85 | W81-H83 AromaticContact CE3-NE2 3.56Å; W81-H83 AromaticContact CZ3-NE2 3.76Å; W81-H83 PolarHBondContact O-N 3.06Å; W81-H83 VanDerWaalsContact O-N 3.1Å; H83-F85 HydrophobicContact CB-CE2 4.38Å; H83-F85 WeakPolarHBondContact O-CD2 3.49Å; H83-F85 PolarHBondContact O-N 2.04Å | ||
| 84 | H | 42.1 | Very low | 44 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | -65.8 | 96.2 | 172.4 | -76.7 | -83.5 | 0 | 0 | 0 | 109.5 | G82 H86 | G82-H84 PolarHBondContact O-N 3.03Å; H84-H86 VanDerWaalsContact C-N 3.33Å; H84-H86 PolarHBondContact O-N 3.5Å | ||
| 85 | F | 48.3 | Very low | 45.5 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -66.2 | 93.7 | 168.8 | -74.3 | -84 | 0 | 0 | 0 | 109.2 | H83 T87 | H83-F85 HydrophobicContact CB-CE2 4.38Å; H83-F85 WeakPolarHBondContact O-CD2 3.49Å; H83-F85 PolarHBondContact O-N 2.04Å; F85-T87 VanDerWaalsContact C-N 3.27Å; F85-T87 PolarHBondContact O-N 3.01Å | ||
| 86 | H | 41.1 | Very low | 47.4 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | trans | -64 | 92 | 163.2 | -92.2 | -80.5 | 0 | 0 | 0 | 108.9 | H84 S88 | H84-H86 VanDerWaalsContact C-N 3.33Å; H84-H86 PolarHBondContact O-N 3.5Å; H86-S88 PolarHBondContact O-N 2.98Å; H86-S88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | T | 57.2 | Low | 49.1 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -61.4 | 111.7 | 154.9 | 49.8 | 0 | 0 | 0 | 0 | 106.9 | F85 T89 | F85-T87 VanDerWaalsContact C-N 3.27Å; F85-T87 PolarHBondContact O-N 3.01Å; T87-T89 PolarHBondContact O-N 3.2Å | ||
| 88 | S | 56.8 | Low | 50.8 | Low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | trans | -52 | 139.1 | 166.8 | 54.9 | 0 | 0 | 0 | 0 | 108.7 | H86 | H86-S88 PolarHBondContact O-N 2.98Å; H86-S88 VanDerWaalsContact O-N 3.12Å | ||
| 89 | T | 50.2 | Low | 52.9 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -48.6 | 134 | 170.2 | 41.7 | 0 | 0 | 0 | 0 | 109 | T87 R91 | T87-T89 PolarHBondContact O-N 3.2Å; T89-R91 PolarHBondContact O-N 3.16Å | ||
| 90 | P | 52.2 | Low | 54.5 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | trans | -60.4 | 110.4 | -178.8 | 23.9 | -32.4 | 0 | 0 | 0 | 107.5 | R92 | P90-R92 PolarHBondContact O-N 3.38Å; P90-R92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | R | 50.8 | Low | 56.1 | Low | 236 Ų | 236 | 128.9 Ų | 128.9 | 89% | 0.891 | 67% | 0.666 | S | S | * | * | trans | -53.4 | 122.4 | 168.1 | -73.7 | -175.3 | 174.1 | -169.9 | -1.5 | 105.6 | T89 A93 | T89-R91 PolarHBondContact O-N 3.16Å; R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 2.87Å | ||
| 92 | R | 52 | Low | 58 | Low | 249 Ų | 249 | 123.4 Ų | 123.4 | 94% | 0.94 | 66% | 0.655 | S | S | * | * | trans | -52.9 | 102 | 175.5 | -72.9 | -177.8 | 177.3 | 174.4 | -2.4 | 107.7 | P90 | P90-R92 PolarHBondContact O-N 3.38Å; P90-R92 VanDerWaalsContact O-N 3.09Å | ||
| 93 | A | 58.2 | Low | 60.1 | Low | 76 Ų | 76 | 123.2 Ų | 123.2 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 152.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | R91 | R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 2.87Å |
| 94 | L | 58.9 | Low | 61.6 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 130 | 162.4 | -70.3 | 169 | 0 | 0 | 0 | 106.8 | A96 L99 | L94-A96 PolarHBondContact O-N 2.73Å; L94-L99 HydrophobicContact CB-CD1 4.26Å; L94-L99 HydrophobicContact CB-CG 4.19Å |
| 95 | P | 64.1 | Low | 63.4 | Low | 59 Ų | 59 | 114.8 Ų | 114.8 | 38% | 0.383 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -53.3 | 135.7 | -173.8 | 21.1 | -33 | 0 | 0 | 0 | 108.9 | L98 L99 | P95-L98 HydrophobicContact CG-CD1 3.82Å; P95-L98 HydrophobicContact CG-CG 4.11Å; P95-L98 PolarHBondContact O-N 2.74Å; P95-L99 PolarHBondContact O-N 3.13Å |
| 96 | A | 67.2 | Low | 65.2 | Low | 70 Ų | 70 | 110.7 Ų | 110.7 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -48.8 | -38.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L94 L98 L99 W100 | L94-A96 PolarHBondContact O-N 2.73Å; A96-L98 PolarHBondContact O-N 2.78Å; A96-L99 PolarHBondContact O-N 2.95Å; A96-W100 WeakPolarHBondContact O-CB 3.37Å; A96-W100 PolarHBondContact O-N 3.13Å |
| 97 | P | 64.3 | Low | 67.4 | Low | 61 Ų | 61 | 104.9 Ų | 104.9 | 40% | 0.396 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -53.7 | -45.1 | 172.2 | -30.1 | 38.5 | 0 | 0 | 0 | 115.4 | W100 M101 L185 | P97-W100 PolarHBondContact O-N 2.93Å; P97-M101 WeakPolarHBondContact O-CB 2.8Å; P97-M101 PolarHBondContact O-N 3.06Å; P97-L185 HydrophobicContact CG-CD1 3.7Å |
| 98 | L | 68.8 | Low | 68.5 | Low | 89 Ų | 89 | 102.5 Ų | 102.5 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.5 | -70.1 | -178 | 0 | 0 | 0 | 111.8 | P95 A96 W100 M101 V102 | P95-L98 HydrophobicContact CG-CD1 3.82Å; P95-L98 HydrophobicContact CG-CG 4.11Å; P95-L98 PolarHBondContact O-N 2.74Å; A96-L98 PolarHBondContact O-N 2.78Å; L98-W100 VanDerWaalsContact C-N 3.28Å; L98-W100 PolarHBondContact O-N 3.49Å; L98-M101 HydrophobicContact CD2-CE 4.28Å; L98-M101 PolarHBondContact O-N 3.03Å; L98-V102 PolarHBondContact O-N 2.92Å |
| 99 | L | 76.8 | Confident | 69.9 | Low | 90 Ų | 90 | 102 Ų | 102 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 172.7 | -106.6 | 166.5 | 0 | 0 | 0 | 110.9 | L94 P95 A96 L103 | L94-L99 HydrophobicContact CB-CD1 4.26Å; L94-L99 HydrophobicContact CB-CG 4.19Å; P95-L99 PolarHBondContact O-N 3.13Å; A96-L99 PolarHBondContact O-N 2.95Å; L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 PolarHBondContact O-N 2.72Å |
| 100 | W | 72.1 | Confident | 71.8 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.1 | -35.5 | -179.6 | -140.1 | -115.6 | 0 | 0 | 0 | 113.4 | A96 P97 L98 V102 L103 K104 H294 | A96-W100 WeakPolarHBondContact O-CB 3.37Å; A96-W100 PolarHBondContact O-N 3.13Å; P97-W100 PolarHBondContact O-N 2.93Å; L98-W100 VanDerWaalsContact C-N 3.28Å; L98-W100 PolarHBondContact O-N 3.49Å; W100-V102 VanDerWaalsContact C-N 3.28Å; W100-V102 PolarHBondContact O-N 2.94Å; W100-L103 HydrophobicContact CE3-CD2 3.86Å; W100-L103 HydrophobicContact CH2-CD2 4.22Å; W100-L103 HydrophobicContact CZ3-CD2 3.62Å; W100-L103 PolarHBondContact O-N 2.98Å; W100-K104 PolarHBondContact O-N 2.94Å; W100-H294 AromaticContact CD1-CE1 3.64Å; W100-H294 AromaticContact CE2-CE1 3.61Å; W100-H294 AromaticContact CE2-ND1 3.91Å; W100-H294 AromaticContact CZ2-ND1 3.84Å; W100-H294 AromaticContact NE1-CE1 2.95Å; W100-H294 PolarHBondContact NE1-CE1 3.41Å; W100-H294 AromaticContact NE1-ND1 3.58Å; W100-H294 AromaticContact NE1-NE2 3.61Å |
| 101 | M | 72.3 | Confident | 73.5 | Confident | 134 Ų | 134 | 96.1 Ų | 96.1 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -33.5 | 177.2 | -167.5 | 174.4 | 76.7 | 0 | 0 | 112.2 | P97 L98 P105 | P97-M101 WeakPolarHBondContact O-CB 2.8Å; P97-M101 PolarHBondContact O-N 3.06Å; L98-M101 HydrophobicContact CD2-CE 4.28Å; L98-M101 PolarHBondContact O-N 3.03Å; M101-P105 WeakPolarHBondContact O-CD 3.05Å; M101-P105 VanDerWaalsContact O-CG 3.23Å; M101-P105 WeakPolarHBondContact O-CG 3.33Å |
| 102 | V | 79.6 | Confident | 75.1 | Confident | 97 Ų | 97 | 87.1 Ų | 87.1 | 59% | 0.588 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -82.6 | -38.2 | 171.3 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | L98 W100 P105 L106 | L98-V102 PolarHBondContact O-N 2.92Å; W100-V102 VanDerWaalsContact C-N 3.28Å; W100-V102 PolarHBondContact O-N 2.94Å; V102-P105 WeakPolarHBondContact O-CD 3.4Å; V102-P105 WeakPolarHBondContact O-CG 3.45Å; V102-L106 WeakPolarHBondContact O-CB 3.43Å; V102-L106 PolarHBondContact O-N 2.97Å |
| 103 | L | 83 | Confident | 77 | Confident | 57 Ų | 57 | 79.8 Ų | 79.8 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.9 | -41.3 | -173.3 | -172.1 | 64.1 | 0 | 0 | 0 | 113.6 | L99 W100 L106 Q107 | L99-L103 WeakPolarHBondContact O-CB 3.43Å; L99-L103 PolarHBondContact O-N 2.72Å; W100-L103 HydrophobicContact CE3-CD2 3.86Å; W100-L103 HydrophobicContact CH2-CD2 4.22Å; W100-L103 HydrophobicContact CZ3-CD2 3.62Å; W100-L103 PolarHBondContact O-N 2.98Å; L103-L106 PolarHBondContact O-N 2.9Å; L103-Q107 HydrophobicContact CD1-CG 4.24Å; L103-Q107 HydrophobicContact CG-CG 4.2Å; L103-Q107 WeakPolarHBondContact O-CB 3.38Å; L103-Q107 VanDerWaalsContact O-CG 3.29Å; L103-Q107 WeakPolarHBondContact O-CG 3.38Å; L103-Q107 PolarHBondContact O-N 3.32Å |
| 104 | K | 78.6 | Confident | 78.6 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.3 | -51.5 | 178.1 | -78.7 | -159.6 | -179 | -169 | 0 | 113.4 | W100 L106 Q107 K108 H294 D297 | W100-K104 PolarHBondContact O-N 2.94Å; K104-L106 VanDerWaalsContact C-N 3.35Å; K104-Q107 PolarHBondContact O-N 3.3Å; K104-K108 PolarHBondContact O-N 3.03Å; K104-K108 VanDerWaalsContact O-N 3.15Å; K104-H294 PolarHBondContact NZ-NE2 2.91Å; K104-D297 VanDerWaalsContact CE-OD2 3.28Å; K104-D297 WeakPolarHBondContact CE-OD2 3.42Å; K104-D297 IonicContact NZ-OD2 3.52Å; K104-D297 PolarHBondContact NZ-OD2 2.88Å |
| 105 | P | 80.3 | Confident | 80 | Confident | 76 Ų | 76 | 75 Ų | 75 | 49% | 0.494 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 177.1 | 24.4 | -32.2 | 0 | 0 | 0 | 112.2 | M101 V102 K108 L109 | M101-P105 WeakPolarHBondContact O-CD 3.05Å; M101-P105 VanDerWaalsContact O-CG 3.23Å; M101-P105 WeakPolarHBondContact O-CG 3.33Å; V102-P105 WeakPolarHBondContact O-CD 3.4Å; V102-P105 WeakPolarHBondContact O-CG 3.45Å; P105-K108 PolarHBondContact O-N 2.87Å; P105-L109 WeakPolarHBondContact O-CB 3.37Å; P105-L109 PolarHBondContact O-N 3.44Å |
| 106 | L | 86.1 | Confident | 81.3 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 53% | 0.529 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.6 | -172.2 | 71.9 | 0 | 0 | 0 | 112.2 | V102 L103 K104 L109 L110 | V102-L106 WeakPolarHBondContact O-CB 3.43Å; V102-L106 PolarHBondContact O-N 2.97Å; L103-L106 PolarHBondContact O-N 2.9Å; K104-L106 VanDerWaalsContact C-N 3.35Å; L106-L109 PolarHBondContact O-N 3.08Å; L106-L110 WeakPolarHBondContact O-CB 3.48Å; L106-L110 PolarHBondContact O-N 3.15Å |
| 107 | Q | 85.4 | Confident | 82.4 | Confident | 62 Ų | 62 | 77 Ų | 77 | 29% | 0.29 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.9 | -76 | 172.1 | -9.7 | 0 | 0 | 111.8 | L103 K104 L110 A111 L301 | L103-Q107 HydrophobicContact CD1-CG 4.24Å; L103-Q107 HydrophobicContact CG-CG 4.2Å; L103-Q107 WeakPolarHBondContact O-CB 3.38Å; L103-Q107 VanDerWaalsContact O-CG 3.29Å; L103-Q107 WeakPolarHBondContact O-CG 3.38Å; L103-Q107 PolarHBondContact O-N 3.32Å; K104-Q107 PolarHBondContact O-N 3.3Å; Q107-L110 PolarHBondContact O-N 2.73Å; Q107-A111 PolarHBondContact O-N 2.91Å; Q107-L301 HydrophobicContact CB-CD1 4.02Å; Q107-L301 HydrophobicContact CB-CD2 4.26Å |
| 108 | K | 82.1 | Confident | 83.8 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 33% | 0.326 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 178.2 | -69.7 | 179.7 | -179.3 | -176.4 | 0 | 111.4 | K104 P105 A111 I112 D297 L301 | K104-K108 PolarHBondContact O-N 3.03Å; K104-K108 VanDerWaalsContact O-N 3.15Å; P105-K108 PolarHBondContact O-N 2.87Å; K108-A111 PolarHBondContact O-N 2.94Å; K108-I112 WeakPolarHBondContact O-CD1 3.02Å; K108-I112 VanDerWaalsContact O-CG1 3.25Å; K108-I112 WeakPolarHBondContact O-CG1 3.34Å; K108-I112 PolarHBondContact O-N 3.49Å; K108-I112 VanDerWaalsContact O-N 3.13Å; K108-D297 VanDerWaalsContact CE-OD1 3.32Å; K108-D297 WeakPolarHBondContact CE-OD1 3.49Å; K108-D297 IonicContact NZ-OD1 2.7Å; K108-D297 PolarHBondContact NZ-OD1 3Å; K108-L301 HydrophobicContact CB-CD2 4.47Å; K108-L301 HydrophobicContact CG-CD2 3.67Å |
| 109 | L | 85.4 | Confident | 84.8 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 172.1 | -177.2 | 64.6 | 0 | 0 | 0 | 112.2 | P105 L106 I112 L113 | P105-L109 WeakPolarHBondContact O-CB 3.37Å; P105-L109 PolarHBondContact O-N 3.44Å; L106-L109 PolarHBondContact O-N 3.08Å; L109-I112 WeakPolarHBondContact O-CB 3.47Å; L109-I112 PolarHBondContact O-N 3.48Å; L109-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CG 4.43Å; L109-L113 HydrophobicContact CG-CD1 4.04Å; L109-L113 HydrophobicContact CG-CG 4.45Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.15Å |
| 110 | L | 89.8 | Confident | 85.5 | Confident | 115 Ų | 115 | 80 Ų | 80 | 60% | 0.602 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 178.3 | -176 | 62 | 0 | 0 | 0 | 112.2 | L106 Q107 L113 L114 | L106-L110 WeakPolarHBondContact O-CB 3.48Å; L106-L110 PolarHBondContact O-N 3.15Å; Q107-L110 PolarHBondContact O-N 2.73Å; L110-L113 PolarHBondContact O-N 2.93Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.28Å; L110-L114 PolarHBondContact O-N 3.35Å |
| 111 | A | 87.3 | Confident | 86.5 | Confident | 6 Ų | 6 | 81.1 Ų | 81.1 | 5% | 0.05 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q107 K108 G115 L301 V304 T305 | Q107-A111 PolarHBondContact O-N 2.91Å; K108-A111 PolarHBondContact O-N 2.94Å; A111-G115 PolarHBondContact O-N 2.9Å; A111-L301 HydrophobicContact CB-CB 4.44Å; A111-L301 HydrophobicContact CB-CD2 4.29Å; A111-V304 HydrophobicContact CB-CG1 4.06Å; A111-T305 WeakPolarHBondContact CB-OG1 3.43Å |
| 112 | I | 85.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 175 | -66.3 | 165.4 | 0 | 0 | 0 | 110.8 | K108 L109 L114 G115 R116 V304 W308 | K108-I112 WeakPolarHBondContact O-CD1 3.02Å; K108-I112 VanDerWaalsContact O-CG1 3.25Å; K108-I112 WeakPolarHBondContact O-CG1 3.34Å; K108-I112 PolarHBondContact O-N 3.49Å; K108-I112 VanDerWaalsContact O-N 3.13Å; L109-I112 WeakPolarHBondContact O-CB 3.47Å; L109-I112 PolarHBondContact O-N 3.48Å; I112-L114 VanDerWaalsContact C-N 3.35Å; I112-L114 PolarHBondContact O-N 2.9Å; I112-G115 PolarHBondContact O-N 3.39Å; I112-R116 HydrophobicContact CG2-CG 4.48Å; I112-R116 WeakPolarHBondContact O-CG 3.32Å; I112-R116 PolarHBondContact O-N 2.9Å; I112-V304 HydrophobicContact CG1-CG1 3.85Å; I112-W308 HydrophobicContact CB-CG 4.49Å; I112-W308 HydrophobicContact CG2-CD2 3.94Å; I112-W308 HydrophobicContact CG2-CE3 4.46Å; I112-W308 HydrophobicContact CG2-CG 4.24Å; I112-W308 HydrophobicContact CG2-CZ2 4.07Å |
| 113 | L | 90.1 | Very high | 87.9 | Confident | 96 Ų | 96 | 76.3 Ų | 76.3 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 180 | -71.3 | 173 | 0 | 0 | 0 | 112 | L109 L110 R116 S117 | L109-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CG 4.43Å; L109-L113 HydrophobicContact CG-CD1 4.04Å; L109-L113 HydrophobicContact CG-CG 4.45Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 3.15Å; L110-L113 PolarHBondContact O-N 2.93Å; L113-R116 PolarHBondContact O-N 3.35Å; L113-S117 WeakPolarHBondContact O-CB 3.45Å; L113-S117 PolarHBondContact O-N 2.96Å |
| 114 | L | 92.7 | Very high | 88.3 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 175.4 | 179.8 | 59.4 | 0 | 0 | 0 | 111.3 | L110 I112 S117 L118 T305 | L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.28Å; L110-L114 PolarHBondContact O-N 3.35Å; I112-L114 VanDerWaalsContact C-N 3.35Å; I112-L114 PolarHBondContact O-N 2.9Å; L114-S117 PolarHBondContact O-N 3.06Å; L114-L118 HydrophobicContact CD1-CD1 4.27Å; L114-L118 HydrophobicContact CD1-CG 4.44Å; L114-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 WeakPolarHBondContact O-CB 3.07Å; L114-L118 WeakPolarHBondContact O-CG 3.23Å; L114-L118 PolarHBondContact O-N 2.88Å; L114-T305 HydrophobicContact CB-CG2 4.32Å; L114-T305 HydrophobicContact CD2-CG2 3.91Å; L114-T305 HydrophobicContact CG-CG2 3.94Å |
| 115 | G | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A111 I112 S117 L118 R119 W308 A309 | A111-G115 PolarHBondContact O-N 2.9Å; I112-G115 PolarHBondContact O-N 3.39Å; G115-S117 VanDerWaalsContact C-N 3.29Å; G115-S117 PolarHBondContact O-N 3.03Å; G115-L118 PolarHBondContact O-N 3.44Å; G115-R119 WeakPolarHBondContact O-CB 3.48Å; G115-R119 PolarHBondContact O-N 3.4Å; G115-W308 VanDerWaalsContact C-C 3.49Å; G115-W308 CarbonylContact C-O 3.56Å; G115-W308 VanDerWaalsContact C-O 3.27Å; G115-W308 CarbonylContact O-C 3.58Å; G115-A309 WeakPolarHBondContact O-CA 3.49Å |
| 116 | R | 89.6 | Confident | 89.7 | Confident | 95 Ų | 95 | 76 Ų | 76 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 175.1 | -70.6 | -178.1 | 91.4 | 114.2 | 9 | 112.1 | I112 L113 K120 W308 D314 | I112-R116 HydrophobicContact CG2-CG 4.48Å; I112-R116 WeakPolarHBondContact O-CG 3.32Å; I112-R116 PolarHBondContact O-N 2.9Å; L113-R116 PolarHBondContact O-N 3.35Å; R116-K120 WeakPolarHBondContact O-CB 3.46Å; R116-K120 PolarHBondContact O-N 3.48Å; R116-W308 HydrophobicContact CG-CD2 4.2Å; R116-W308 HydrophobicContact CG-CE3 3.38Å; R116-W308 HydrophobicContact CG-CZ3 3.77Å; R116-W308 VanDerWaalsContact NH1-CH2 3.26Å; R116-D314 IonicContact CZ-OD1 2.84Å; R116-D314 IonicContact NH1-OD1 3.13Å; R116-D314 PolarHBondContact NH1-OD1 3.35Å; R116-D314 IonicContact NH2-OD1 2.65Å; R116-D314 PolarHBondContact NH2-OD1 2.85Å; R116-D314 IonicContact NH2-OD2 2.76Å; R116-D314 PolarHBondContact NH2-OD2 3.29Å; R116-D314 VanDerWaalsContact NH2-OD2 3.13Å |
| 117 | S | 92 | Very high | 89.9 | Confident | 75 Ų | 75 | 76 Ų | 76 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | L113 L114 G115 R119 K120 W121 | L113-S117 WeakPolarHBondContact O-CB 3.45Å; L113-S117 PolarHBondContact O-N 2.96Å; L114-S117 PolarHBondContact O-N 3.06Å; G115-S117 VanDerWaalsContact C-N 3.29Å; G115-S117 PolarHBondContact O-N 3.03Å; S117-R119 PolarHBondContact O-N 3.43Å; S117-K120 PolarHBondContact O-N 3.1Å; S117-W121 VanDerWaalsContact O-CB 3.26Å; S117-W121 WeakPolarHBondContact O-CB 3.39Å; S117-W121 PolarHBondContact O-N 3.43Å |
| 118 | L | 92.9 | Very high | 90.3 | Very high | 75 Ų | 75 | 78.2 Ų | 78.2 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 174.2 | -74.4 | 165 | 0 | 0 | 0 | 111.7 | L114 G115 W121 W122 T305 A309 | L114-L118 HydrophobicContact CD1-CD1 4.27Å; L114-L118 HydrophobicContact CD1-CG 4.44Å; L114-L118 HydrophobicContact CG-CD1 4.15Å; L114-L118 WeakPolarHBondContact O-CB 3.07Å; L114-L118 WeakPolarHBondContact O-CG 3.23Å; L114-L118 PolarHBondContact O-N 2.88Å; G115-L118 PolarHBondContact O-N 3.44Å; L118-W121 PolarHBondContact O-N 3.42Å; L118-W122 WeakPolarHBondContact O-CB 3.19Å; L118-W122 PolarHBondContact O-N 3.46Å; L118-T305 HydrophobicContact CD1-CG2 4.43Å; L118-A309 HydrophobicContact CB-CB 4.32Å |
| 119 | R | 89.6 | Confident | 90.8 | Very high | 59 Ų | 59 | 82 Ų | 82 | 22% | 0.223 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 176.8 | -167.7 | -161.3 | -56.9 | -168.3 | -10.9 | 111.8 | G115 S117 W122 G123 W308 A309 C311 G313 | G115-R119 WeakPolarHBondContact O-CB 3.48Å; G115-R119 PolarHBondContact O-N 3.4Å; S117-R119 PolarHBondContact O-N 3.43Å; R119-W122 PolarHBondContact O-N 2.94Å; R119-G123 PolarHBondContact O-N 3.23Å; R119-W308 PolarHBondContact NE-O 3.13Å; R119-W308 PolarHBondContact NH2-O 2.88Å; R119-A309 WeakPolarHBondContact CB-O 3.29Å; R119-C311 PolarHBondContact NH1-O 3.3Å; R119-C311 PolarHBondContact NH2-O 3.37Å; R119-G313 PolarHBondContact NH1-O 3.01Å; R119-G313 VanDerWaalsContact NH1-O 3.14Å |
| 120 | K | 91.1 | Very high | 91.1 | Very high | 171 Ų | 171 | 80.2 Ų | 80.2 | 74% | 0.743 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | -179.3 | -173.8 | 176.1 | -179.3 | 179.3 | 0 | 111.6 | R116 S117 G123 S124 | R116-K120 WeakPolarHBondContact O-CB 3.46Å; R116-K120 PolarHBondContact O-N 3.48Å; S117-K120 PolarHBondContact O-N 3.1Å; K120-G123 PolarHBondContact O-N 3.37Å; K120-S124 WeakPolarHBondContact O-CB 3.4Å; K120-S124 PolarHBondContact O-N 2.95Å; K120-S124 PolarHBondContact O-OG 3.36Å |
| 121 | W | 93.7 | Very high | 91.2 | Very high | 126 Ų | 126 | 80.1 Ų | 80.1 | 48% | 0.477 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 173.8 | 169 | 76 | 0 | 0 | 0 | 111.4 | S117 L118 G123 S124 L125 | S117-W121 VanDerWaalsContact O-CB 3.26Å; S117-W121 WeakPolarHBondContact O-CB 3.39Å; S117-W121 PolarHBondContact O-N 3.43Å; L118-W121 PolarHBondContact O-N 3.42Å; W121-G123 VanDerWaalsContact C-N 3.33Å; W121-G123 PolarHBondContact O-N 3.02Å; W121-S124 WeakPolarHBondContact CA-OG 3.21Å; W121-S124 PolarHBondContact O-N 3.14Å; W121-S124 VanDerWaalsContact O-N 3.08Å; W121-S124 PolarHBondContact O-OG 3.01Å; W121-L125 HydrophobicContact CD2-CD1 4.41Å; W121-L125 HydrophobicContact CH2-CD1 4.17Å; W121-L125 HydrophobicContact CZ2-CD1 3.86Å; W121-L125 PolarHBondContact O-N 3.28Å |
| 122 | W | 91.2 | Very high | 91.5 | Very high | 86 Ų | 86 | 84.8 Ų | 84.8 | 33% | 0.326 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 178.3 | -172.4 | -108.1 | 0 | 0 | 0 | 112.6 | L118 R119 L125 R130 V133 R134 | L118-W122 WeakPolarHBondContact O-CB 3.19Å; L118-W122 PolarHBondContact O-N 3.46Å; R119-W122 PolarHBondContact O-N 2.94Å; W122-L125 HydrophobicContact CE3-CD1 4.21Å; W122-L125 PolarHBondContact O-N 3.33Å; W122-R130 PolarHBondContact O-NE 3.18Å; W122-V133 HydrophobicContact CH2-CG1 4.35Å; W122-V133 HydrophobicContact CZ3-CB 4.08Å; W122-V133 HydrophobicContact CZ3-CG1 3.75Å; W122-R134 HydrophobicContact CH2-CG 4.11Å; W122-R134 HydrophobicContact CZ2-CG 4.41Å |
| 123 | G | 89.4 | Confident | 91.8 | Very high | 44 Ų | 44 | 84.4 Ų | 84.4 | 45% | 0.454 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R119 K120 W121 L125 R130 | R119-G123 PolarHBondContact O-N 3.23Å; K120-G123 PolarHBondContact O-N 3.37Å; W121-G123 VanDerWaalsContact C-N 3.33Å; W121-G123 PolarHBondContact O-N 3.02Å; G123-L125 VanDerWaalsContact C-N 3.3Å; G123-L125 PolarHBondContact O-N 3.47Å; G123-R130 PolarHBondContact O-NH2 3.34Å |
| 124 | S | 92.4 | Very high | 91.8 | Very high | 88 Ų | 88 | 86.3 Ų | 86.3 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -73 | -15.2 | -178.9 | 73.5 | 0 | 0 | 0 | 0 | 115.2 | K120 W121 | K120-S124 WeakPolarHBondContact O-CB 3.4Å; K120-S124 PolarHBondContact O-N 2.95Å; K120-S124 PolarHBondContact O-OG 3.36Å; W121-S124 WeakPolarHBondContact CA-OG 3.21Å; W121-S124 PolarHBondContact O-N 3.14Å; W121-S124 VanDerWaalsContact O-N 3.08Å; W121-S124 PolarHBondContact O-OG 3.01Å |
| 125 | L | 93.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -74.5 | 133.8 | 177.2 | -71.4 | 170.8 | 0 | 0 | 0 | 110.8 | W121 W122 G123 R129 R130 | W121-L125 HydrophobicContact CD2-CD1 4.41Å; W121-L125 HydrophobicContact CH2-CD1 4.17Å; W121-L125 HydrophobicContact CZ2-CD1 3.86Å; W121-L125 PolarHBondContact O-N 3.28Å; W122-L125 HydrophobicContact CE3-CD1 4.21Å; W122-L125 PolarHBondContact O-N 3.33Å; G123-L125 VanDerWaalsContact C-N 3.3Å; G123-L125 PolarHBondContact O-N 3.47Å; L125-R129 HydrophobicContact CB-CB 4.46Å; L125-R129 HydrophobicContact CD2-CB 4.09Å; L125-R130 HydrophobicContact CB-CG 3.78Å; L125-R130 PolarHBondContact O-NE 3.13Å; L125-R130 PolarHBondContact O-NH2 2.91Å; L125-R130 VanDerWaalsContact O-NH2 3.13Å |
| 126 | P | 93 | Very high | 92.2 | Very high | 68 Ų | 68 | 90 Ų | 90 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | trans | -67.6 | 154.9 | 167.3 | 29.2 | -34.9 | 0 | 0 | 0 | 111 | N128 R129 R130 | P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 WeakPolarHBondContact CG-OD1 3.26Å; P126-N128 PolarHBondContact O-N 2.77Å; P126-R129 HydrophobicContact CG-CB 4.25Å; P126-R129 HydrophobicContact CG-CG 4.03Å; P126-R129 WeakPolarHBondContact O-CA 3.22Å; P126-R129 WeakPolarHBondContact O-CB 3.2Å; P126-R129 PolarHBondContact O-N 2.94Å; P126-R130 PolarHBondContact O-N 3.32Å | ||
| 127 | D | 91.6 | Very high | 92.3 | Very high | 102 Ų | 102 | 89 Ų | 89 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -32.5 | -168.2 | -72.6 | -70 | 0 | 0 | 0 | 114.8 | R129 R130 Q131 | D127-R129 VanDerWaalsContact C-N 3.31Å; D127-R129 PolarHBondContact O-N 2.99Å; D127-R130 VanDerWaalsContact CG-NH1 3.27Å; D127-R130 PolarHBondContact O-N 2.92Å; D127-R130 WeakPolarHBondContact OD1-CD 3.33Å; D127-R130 IonicContact OD1-CZ 3.17Å; D127-R130 IonicContact OD1-NE 3.12Å; D127-R130 IonicContact OD1-NH1 3.14Å; D127-R130 PolarHBondContact OD1-NH1 3.23Å; D127-R130 IonicContact OD2-NH1 3.89Å; D127-R130 PolarHBondContact OD2-NH1 2.88Å; D127-Q131 WeakPolarHBondContact O-CB 3.35Å; D127-Q131 PolarHBondContact O-N 3.39Å |
| 128 | N | 93.1 | Very high | 92.4 | Very high | 108 Ų | 108 | 91.7 Ų | 91.7 | 58% | 0.578 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.1 | -39.2 | 171.9 | 62.6 | -5.2 | 0 | 0 | 0 | 112.3 | P126 L132 | P126-N128 VanDerWaalsContact C-N 3.32Å; P126-N128 WeakPolarHBondContact CG-OD1 3.26Å; P126-N128 PolarHBondContact O-N 2.77Å; N128-L132 WeakPolarHBondContact O-CG 3.39Å; N128-L132 PolarHBondContact O-N 3.46Å |
| 129 | R | 92.3 | Very high | 92.6 | Very high | 155 Ų | 155 | 96.3 Ų | 96.3 | 59% | 0.585 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -74.1 | -37.4 | 173.7 | -66.9 | -171 | -178.3 | -155.8 | 0.9 | 112 | L125 P126 D127 Q131 L132 V133 | L125-R129 HydrophobicContact CB-CB 4.46Å; L125-R129 HydrophobicContact CD2-CB 4.09Å; P126-R129 HydrophobicContact CG-CB 4.25Å; P126-R129 HydrophobicContact CG-CG 4.03Å; P126-R129 WeakPolarHBondContact O-CA 3.22Å; P126-R129 WeakPolarHBondContact O-CB 3.2Å; P126-R129 PolarHBondContact O-N 2.94Å; D127-R129 VanDerWaalsContact C-N 3.31Å; D127-R129 PolarHBondContact O-N 2.99Å; R129-Q131 VanDerWaalsContact C-N 3.31Å; R129-Q131 PolarHBondContact O-N 3.45Å; R129-L132 PolarHBondContact O-N 3.03Å; R129-V133 WeakPolarHBondContact O-CG2 3.44Å; R129-V133 PolarHBondContact O-N 3.44Å |
| 130 | R | 91.6 | Very high | 92.8 | Very high | 56 Ų | 56 | 99.8 Ų | 99.8 | 21% | 0.211 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 173.1 | -63.6 | -176.9 | -172.5 | 139.6 | 2.4 | 110.8 | W122 G123 L125 P126 D127 V133 R134 | W122-R130 PolarHBondContact O-NE 3.18Å; G123-R130 PolarHBondContact O-NH2 3.34Å; L125-R130 HydrophobicContact CB-CG 3.78Å; L125-R130 PolarHBondContact O-NE 3.13Å; L125-R130 PolarHBondContact O-NH2 2.91Å; L125-R130 VanDerWaalsContact O-NH2 3.13Å; P126-R130 PolarHBondContact O-N 3.32Å; D127-R130 VanDerWaalsContact CG-NH1 3.27Å; D127-R130 PolarHBondContact O-N 2.92Å; D127-R130 WeakPolarHBondContact OD1-CD 3.33Å; D127-R130 IonicContact OD1-CZ 3.17Å; D127-R130 IonicContact OD1-NE 3.12Å; D127-R130 IonicContact OD1-NH1 3.14Å; D127-R130 PolarHBondContact OD1-NH1 3.23Å; D127-R130 IonicContact OD2-NH1 3.89Å; D127-R130 PolarHBondContact OD2-NH1 2.88Å; R130-V133 PolarHBondContact O-N 2.81Å; R130-R134 WeakPolarHBondContact O-CG 3.3Å; R130-R134 PolarHBondContact O-N 3.27Å |
| 131 | Q | 91.9 | Very high | 93 | Very high | 112 Ų | 112 | 99 Ų | 99 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 175.5 | 179.4 | 174.6 | -21.3 | 0 | 0 | 111.4 | D127 R129 V133 R134 E135 | D127-Q131 WeakPolarHBondContact O-CB 3.35Å; D127-Q131 PolarHBondContact O-N 3.39Å; R129-Q131 VanDerWaalsContact C-N 3.31Å; R129-Q131 PolarHBondContact O-N 3.45Å; Q131-V133 VanDerWaalsContact C-N 3.25Å; Q131-V133 PolarHBondContact O-N 2.95Å; Q131-R134 WeakPolarHBondContact O-CB 3.4Å; Q131-R134 PolarHBondContact O-N 3.18Å; Q131-E135 HydrophobicContact CG-CG 4.33Å; Q131-E135 VanDerWaalsContact CG-OE1 3.29Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 3.15Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 3.24Å |
| 132 | L | 93.7 | Very high | 93.1 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.1 | -37.7 | 176.5 | -73.8 | 169.7 | 0 | 0 | 0 | 112.8 | N128 R129 W136 | N128-L132 WeakPolarHBondContact O-CG 3.39Å; N128-L132 PolarHBondContact O-N 3.46Å; R129-L132 PolarHBondContact O-N 3.03Å; L132-W136 VanDerWaalsContact O-CB 3.26Å; L132-W136 WeakPolarHBondContact O-CB 3.3Å; L132-W136 PolarHBondContact O-N 3.19Å |
| 133 | V | 92 | Very high | 93.3 | Very high | 39 Ų | 39 | 104 Ų | 104 | 24% | 0.236 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -71.7 | -39.6 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | W122 R129 R130 Q131 W136 L137 | W122-V133 HydrophobicContact CH2-CG1 4.35Å; W122-V133 HydrophobicContact CZ3-CB 4.08Å; W122-V133 HydrophobicContact CZ3-CG1 3.75Å; R129-V133 WeakPolarHBondContact O-CG2 3.44Å; R129-V133 PolarHBondContact O-N 3.44Å; R130-V133 PolarHBondContact O-N 2.81Å; Q131-V133 VanDerWaalsContact C-N 3.25Å; Q131-V133 PolarHBondContact O-N 2.95Å; V133-W136 PolarHBondContact O-N 2.97Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 HydrophobicContact CG1-CG 4.34Å; V133-L137 WeakPolarHBondContact O-CB 3.48Å; V133-L137 VanDerWaalsContact O-CG 3.26Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.44Å |
| 134 | R | 92.1 | Very high | 93.4 | Very high | 136 Ų | 136 | 105.6 Ų | 105.6 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 172.6 | -70.2 | 175.1 | -165.4 | 178.8 | 5.3 | 111.5 | W122 R130 Q131 L137 Q138 | W122-R134 HydrophobicContact CH2-CG 4.11Å; W122-R134 HydrophobicContact CZ2-CG 4.41Å; R130-R134 WeakPolarHBondContact O-CG 3.3Å; R130-R134 PolarHBondContact O-N 3.27Å; Q131-R134 WeakPolarHBondContact O-CB 3.4Å; Q131-R134 PolarHBondContact O-N 3.18Å; R134-L137 PolarHBondContact O-N 2.85Å; R134-Q138 WeakPolarHBondContact O-CB 3.47Å; R134-Q138 VanDerWaalsContact O-CG 3.32Å; R134-Q138 WeakPolarHBondContact O-CG 3.44Å; R134-Q138 PolarHBondContact O-N 2.84Å |
| 135 | E | 94.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 104 Ų | 104 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 177.1 | -69.7 | 176.8 | -160.2 | 0 | 0 | 112.5 | Q131 R139 | Q131-E135 HydrophobicContact CG-CG 4.33Å; Q131-E135 VanDerWaalsContact CG-OE1 3.29Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 3.15Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 3.24Å; E135-R139 VanDerWaalsContact O-CB 3.23Å; E135-R139 WeakPolarHBondContact O-CB 3.26Å; E135-R139 WeakPolarHBondContact O-CG 3.34Å; E135-R139 PolarHBondContact O-N 3.1Å; E135-R139 PolarHBondContact O-NE 3.48Å; E135-R139 IonicContact OE2-CZ 2.68Å; E135-R139 IonicContact OE2-NH2 3.06Å; E135-R139 PolarHBondContact OE2-NH2 3.05Å |
| 136 | W | 94.4 | Very high | 93.6 | Very high | 117 Ų | 117 | 107.2 Ų | 107.2 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 173.5 | -179.6 | 99.1 | 0 | 0 | 0 | 111.3 | L132 V133 R139 R140 L144 | L132-W136 VanDerWaalsContact O-CB 3.26Å; L132-W136 WeakPolarHBondContact O-CB 3.3Å; L132-W136 PolarHBondContact O-N 3.19Å; V133-W136 PolarHBondContact O-N 2.97Å; W136-R139 PolarHBondContact O-N 3.37Å; W136-R140 WeakPolarHBondContact O-CB 3Å; W136-R140 PolarHBondContact O-N 2.88Å; W136-L144 HydrophobicContact CZ3-CD1 4.31Å |
| 137 | L | 93.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 106 Ų | 106 | 38% | 0.377 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.5 | -73.7 | 168.1 | 0 | 0 | 0 | 111.1 | V133 R134 R140 R141 L144 | V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 HydrophobicContact CG1-CG 4.34Å; V133-L137 WeakPolarHBondContact O-CB 3.48Å; V133-L137 VanDerWaalsContact O-CG 3.26Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.44Å; R134-L137 PolarHBondContact O-N 2.85Å; L137-R140 CarbonylContact O-C 3.27Å; L137-R140 PolarHBondContact O-N 3.02Å; L137-R141 VanDerWaalsContact O-CA 3.29Å; L137-R141 WeakPolarHBondContact O-CA 3.36Å; L137-R141 WeakPolarHBondContact O-CB 3.44Å; L137-R141 PolarHBondContact O-N 2.74Å; L137-L144 HydrophobicContact CD2-CD1 3.7Å |
| 138 | Q | 93.9 | Very high | 93.7 | Very high | 133 Ų | 133 | 104.2 Ų | 104.2 | 62% | 0.621 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -47.1 | 176.5 | -75.3 | 173.4 | -14.8 | 0 | 0 | 112 | R134 R140 R141 | R134-Q138 WeakPolarHBondContact O-CB 3.47Å; R134-Q138 VanDerWaalsContact O-CG 3.32Å; R134-Q138 WeakPolarHBondContact O-CG 3.44Å; R134-Q138 PolarHBondContact O-N 2.84Å; Q138-R140 VanDerWaalsContact C-N 3.3Å; Q138-R140 PolarHBondContact O-N 2.9Å; Q138-R141 WeakPolarHBondContact O-CB 3.28Å; Q138-R141 WeakPolarHBondContact O-CD 3.44Å; Q138-R141 VanDerWaalsContact O-CG 3.24Å; Q138-R141 WeakPolarHBondContact O-CG 3.49Å; Q138-R141 PolarHBondContact O-N 3Å |
| 139 | R | 95.6 | Very high | 93.8 | Very high | 172 Ų | 172 | 100.5 Ų | 100.5 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63 | -34.1 | 177.4 | -76 | -177.9 | -102.1 | -171.8 | -7.2 | 112.5 | E135 W136 | E135-R139 VanDerWaalsContact O-CB 3.23Å; E135-R139 WeakPolarHBondContact O-CB 3.26Å; E135-R139 WeakPolarHBondContact O-CG 3.34Å; E135-R139 PolarHBondContact O-N 3.1Å; E135-R139 PolarHBondContact O-NE 3.48Å; E135-R139 IonicContact OE2-CZ 2.68Å; E135-R139 IonicContact OE2-NH2 3.06Å; E135-R139 PolarHBondContact OE2-NH2 3.05Å; W136-R139 PolarHBondContact O-N 3.37Å |
| 140 | R | 95.5 | Very high | 94 | Very high | 131 Ų | 131 | 97.1 Ų | 97.1 | 49% | 0.494 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 8.6 | 178.4 | -62.9 | -166.7 | 179 | -150.8 | -3.1 | 114.8 | W136 L137 Q138 W142 H143 L144 | W136-R140 WeakPolarHBondContact O-CB 3Å; W136-R140 PolarHBondContact O-N 2.88Å; L137-R140 CarbonylContact O-C 3.27Å; L137-R140 PolarHBondContact O-N 3.02Å; Q138-R140 VanDerWaalsContact C-N 3.3Å; Q138-R140 PolarHBondContact O-N 2.9Å; R140-W142 PolarHBondContact O-N 3.02Å; R140-W142 VanDerWaalsContact O-N 3.09Å; R140-H143 PolarHBondContact O-N 3.19Å; R140-L144 HydrophobicContact CB-CD1 4.4Å; R140-L144 HydrophobicContact CB-CG 4.46Å; R140-L144 WeakPolarHBondContact O-CG 3.14Å; R140-L144 PolarHBondContact O-N 2.73Å |
| 141 | R | 94.4 | Very high | 93.9 | Very high | 155 Ų | 155 | 96.9 Ų | 96.9 | 59% | 0.585 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -53.2 | -38.4 | -172.7 | 70.7 | -173.5 | 175.9 | 146 | -3.2 | 113.2 | L137 Q138 L144 A145 | L137-R141 VanDerWaalsContact O-CA 3.29Å; L137-R141 WeakPolarHBondContact O-CA 3.36Å; L137-R141 WeakPolarHBondContact O-CB 3.44Å; L137-R141 PolarHBondContact O-N 2.74Å; Q138-R141 WeakPolarHBondContact O-CB 3.28Å; Q138-R141 WeakPolarHBondContact O-CD 3.44Å; Q138-R141 VanDerWaalsContact O-CG 3.24Å; Q138-R141 WeakPolarHBondContact O-CG 3.49Å; Q138-R141 PolarHBondContact O-N 3Å; R141-L144 PolarHBondContact O-N 3.27Å; R141-A145 VanDerWaalsContact O-CB 3.3Å; R141-A145 WeakPolarHBondContact O-CB 3.45Å; R141-A145 PolarHBondContact O-N 3.04Å |
| 142 | W | 95.5 | Very high | 93.9 | Very high | 177 Ų | 177 | 97.4 Ų | 97.4 | 67% | 0.67 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.9 | -47.2 | 177.3 | -65 | 123.2 | 0 | 0 | 0 | 112.4 | R140 L144 A145 T146 | R140-W142 PolarHBondContact O-N 3.02Å; R140-W142 VanDerWaalsContact O-N 3.09Å; W142-L144 VanDerWaalsContact C-N 3.28Å; W142-L144 PolarHBondContact O-N 3.08Å; W142-A145 PolarHBondContact O-N 3.32Å; W142-T146 PolarHBondContact O-N 3.49Å; W142-T146 PolarHBondContact O-OG1 3.34Å |
| 143 | H | 95.2 | Very high | 93.9 | Very high | 141 Ų | 141 | 96.5 Ų | 96.5 | 65% | 0.653 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -36.2 | 175.6 | -58.5 | -60.1 | 0 | 0 | 0 | 112.7 | R140 G147 | R140-H143 PolarHBondContact O-N 3.19Å; H143-G147 PolarHBondContact O-N 3.16Å |
| 144 | L | 93 | Very high | 93.9 | Very high | 76 Ų | 76 | 99 Ų | 99 | 40% | 0.398 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -42.4 | 175.7 | -65.6 | 170 | 0 | 0 | 0 | 111.4 | W136 L137 R140 R141 W142 G147 A148 | W136-L144 HydrophobicContact CZ3-CD1 4.31Å; L137-L144 HydrophobicContact CD2-CD1 3.7Å; R140-L144 HydrophobicContact CB-CD1 4.4Å; R140-L144 HydrophobicContact CB-CG 4.46Å; R140-L144 WeakPolarHBondContact O-CG 3.14Å; R140-L144 PolarHBondContact O-N 2.73Å; R141-L144 PolarHBondContact O-N 3.27Å; W142-L144 VanDerWaalsContact C-N 3.28Å; W142-L144 PolarHBondContact O-N 3.08Å; L144-G147 PolarHBondContact O-N 3.08Å; L144-A148 WeakPolarHBondContact O-CB 3.19Å; L144-A148 PolarHBondContact O-N 2.99Å |
| 145 | A | 93.6 | Very high | 93.8 | Very high | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R141 W142 A148 G149 | R141-A145 VanDerWaalsContact O-CB 3.3Å; R141-A145 WeakPolarHBondContact O-CB 3.45Å; R141-A145 PolarHBondContact O-N 3.04Å; W142-A145 PolarHBondContact O-N 3.32Å; A145-A148 PolarHBondContact O-N 2.84Å; A145-G149 PolarHBondContact O-N 2.82Å |
| 146 | T | 95.9 | Very high | 93.6 | Very high | 89 Ų | 89 | 95.7 Ų | 95.7 | 55% | 0.546 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 173.2 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | W142 G149 V150 | W142-T146 PolarHBondContact O-N 3.49Å; W142-T146 PolarHBondContact O-OG1 3.34Å; T146-G149 PolarHBondContact O-N 2.84Å; T146-V150 HydrophobicContact CG2-CG2 4.44Å; T146-V150 WeakPolarHBondContact O-CB 3.35Å; T146-V150 WeakPolarHBondContact O-CG2 3.29Å; T146-V150 PolarHBondContact O-N 3.2Å |
| 147 | G | 95.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 95 Ų | 95 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | H143 L144 A151 | H143-G147 PolarHBondContact O-N 3.16Å; L144-G147 PolarHBondContact O-N 3.08Å; G147-A151 WeakPolarHBondContact O-CB 3.24Å; G147-A151 PolarHBondContact O-N 3.42Å |
| 148 | A | 90.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 96.3 Ų | 96.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L144 A145 A151 L152 | L144-A148 WeakPolarHBondContact O-CB 3.19Å; L144-A148 PolarHBondContact O-N 2.99Å; A145-A148 PolarHBondContact O-N 2.84Å; A148-A151 PolarHBondContact O-N 2.9Å; A148-L152 WeakPolarHBondContact O-CB 3.25Å; A148-L152 PolarHBondContact O-N 3.09Å |
| 149 | G | 95.3 | Very high | 93 | Very high | 31 Ų | 31 | 92.8 Ų | 92.8 | 32% | 0.32 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A145 T146 L152 V153 | A145-G149 PolarHBondContact O-N 2.82Å; T146-G149 PolarHBondContact O-N 2.84Å; G149-L152 PolarHBondContact O-N 3.22Å; G149-V153 WeakPolarHBondContact O-CG2 3.39Å; G149-V153 PolarHBondContact O-N 3.45Å |
| 150 | V | 96 | Very high | 92.8 | Very high | 83 Ų | 83 | 89.8 Ų | 89.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.3 | 169.4 | 0 | 0 | 0 | 0 | 111 | T146 L152 V153 I154 | T146-V150 HydrophobicContact CG2-CG2 4.44Å; T146-V150 WeakPolarHBondContact O-CB 3.35Å; T146-V150 WeakPolarHBondContact O-CG2 3.29Å; T146-V150 PolarHBondContact O-N 3.2Å; V150-L152 PolarHBondContact O-N 3.32Å; V150-V153 PolarHBondContact O-N 3.06Å; V150-I154 HydrophobicContact CG1-CD1 3.89Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 2.97Å |
| 151 | A | 91 | Very high | 92.4 | Very high | 51 Ų | 51 | 88.6 Ų | 88.6 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G147 A148 I154 V155 | G147-A151 WeakPolarHBondContact O-CB 3.24Å; G147-A151 PolarHBondContact O-N 3.42Å; A148-A151 PolarHBondContact O-N 2.9Å; A151-I154 PolarHBondContact O-N 3.46Å; A151-V155 WeakPolarHBondContact O-CG2 3.45Å; A151-V155 PolarHBondContact O-N 3.34Å |
| 152 | L | 91.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 85 Ų | 85 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 175.9 | -178.2 | 63.6 | 0 | 0 | 0 | 111.9 | A148 G149 V150 V155 A156 | A148-L152 WeakPolarHBondContact O-CB 3.25Å; A148-L152 PolarHBondContact O-N 3.09Å; G149-L152 PolarHBondContact O-N 3.22Å; V150-L152 PolarHBondContact O-N 3.32Å; L152-V155 PolarHBondContact O-N 2.89Å; L152-A156 WeakPolarHBondContact O-CB 3.27Å; L152-A156 PolarHBondContact O-N 2.71Å |
| 153 | V | 94.3 | Very high | 92 | Very high | 84 Ų | 84 | 80.9 Ų | 80.9 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.5 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | G149 V150 A156 L157 | G149-V153 WeakPolarHBondContact O-CG2 3.39Å; G149-V153 PolarHBondContact O-N 3.45Å; V150-V153 PolarHBondContact O-N 3.06Å; V153-A156 PolarHBondContact O-N 3.11Å; V153-L157 HydrophobicContact CG1-CD1 3.88Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 WeakPolarHBondContact O-CB 3.48Å; V153-L157 VanDerWaalsContact O-CG 3.26Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 3.37Å |
| 154 | I | 92.7 | Very high | 91.7 | Very high | 93 Ų | 93 | 77.2 Ų | 77.2 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.9 | -69.3 | 163.6 | 0 | 0 | 0 | 110.8 | V150 A151 L157 L158 | V150-I154 HydrophobicContact CG1-CD1 3.89Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.43Å; V150-I154 PolarHBondContact O-N 2.97Å; A151-I154 PolarHBondContact O-N 3.46Å; I154-L157 PolarHBondContact O-N 3.47Å; I154-L158 HydrophobicContact CG2-CD1 4.13Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 2.91Å |
| 155 | V | 88.4 | Confident | 91.6 | Very high | 74 Ų | 74 | 79.6 Ų | 79.6 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | A151 L152 L158 L159 | A151-V155 WeakPolarHBondContact O-CG2 3.45Å; A151-V155 PolarHBondContact O-N 3.34Å; L152-V155 PolarHBondContact O-N 2.89Å; V155-L158 PolarHBondContact O-N 3.18Å; V155-L159 HydrophobicContact CG1-CD1 4.18Å; V155-L159 WeakPolarHBondContact O-CG 3.35Å; V155-L159 PolarHBondContact O-N 2.95Å |
| 156 | A | 89.8 | Confident | 91.5 | Very high | 45 Ų | 45 | 77 Ų | 77 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L152 V153 L158 L159 L160 | L152-A156 WeakPolarHBondContact O-CB 3.27Å; L152-A156 PolarHBondContact O-N 2.71Å; V153-A156 PolarHBondContact O-N 3.11Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 3.13Å; A156-L159 PolarHBondContact O-N 3.44Å; A156-L160 VanDerWaalsContact O-CG 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.35Å; A156-L160 PolarHBondContact O-N 2.97Å |
| 157 | L | 92.6 | Very high | 91 | Very high | 101 Ų | 101 | 76.2 Ų | 76.2 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 175.7 | -73.4 | 168.5 | 0 | 0 | 0 | 112.1 | V153 I154 L160 T161 | V153-L157 HydrophobicContact CG1-CD1 3.88Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 WeakPolarHBondContact O-CB 3.48Å; V153-L157 VanDerWaalsContact O-CG 3.26Å; V153-L157 WeakPolarHBondContact O-CG 3.42Å; V153-L157 PolarHBondContact O-N 3.37Å; I154-L157 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 2.9Å; L157-T161 PolarHBondContact O-N 3.31Å; L157-T161 PolarHBondContact O-OG1 3.14Å |
| 158 | L | 88.7 | Confident | 90.8 | Very high | 101 Ų | 101 | 76.5 Ų | 76.5 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.7 | -71.9 | 168.2 | 0 | 0 | 0 | 111.9 | I154 V155 A156 L160 T161 H162 | I154-L158 HydrophobicContact CG2-CD1 4.13Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 2.91Å; V155-L158 PolarHBondContact O-N 3.18Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 3.13Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 3.5Å; L158-T161 WeakPolarHBondContact CA-OG1 3.45Å; L158-T161 PolarHBondContact O-N 3.4Å; L158-T161 PolarHBondContact O-OG1 2.83Å; L158-H162 PolarHBondContact O-CD2 3.35Å; L158-H162 PolarHBondContact O-N 3.27Å |
| 159 | L | 88.7 | Confident | 90.9 | Very high | 58 Ų | 58 | 75.8 Ų | 75.8 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 175.4 | -68.7 | 172.4 | 0 | 0 | 0 | 112 | V155 A156 T161 H162 L163 L174 V295 | V155-L159 HydrophobicContact CG1-CD1 4.18Å; V155-L159 WeakPolarHBondContact O-CG 3.35Å; V155-L159 PolarHBondContact O-N 2.95Å; A156-L159 PolarHBondContact O-N 3.44Å; L159-T161 VanDerWaalsContact C-N 3.32Å; L159-T161 PolarHBondContact O-N 3.29Å; L159-H162 CarbonylContact O-C 3.58Å; L159-H162 PolarHBondContact O-N 2.82Å; L159-L163 PolarHBondContact O-N 3.48Å; L159-L174 HydrophobicContact CD2-CD1 4.26Å; L159-L174 HydrophobicContact CD2-CD2 4.29Å; L159-V295 HydrophobicContact CD2-CG1 4.4Å; L159-V295 HydrophobicContact CD2-CG2 3.91Å |
| 160 | L | 90.4 | Very high | 90.7 | Very high | 109 Ų | 109 | 76.7 Ų | 76.7 | 57% | 0.571 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.1 | -33.2 | 173.8 | -71.2 | 170.7 | 0 | 0 | 0 | 112.6 | A156 L157 L158 H162 L163 | A156-L160 VanDerWaalsContact O-CG 3.27Å; A156-L160 WeakPolarHBondContact O-CG 3.35Å; A156-L160 PolarHBondContact O-N 2.97Å; L157-L160 PolarHBondContact O-N 2.9Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 3.5Å; L160-H162 PolarHBondContact O-N 3.08Å; L160-L163 HydrophobicContact CD2-CD1 3.76Å; L160-L163 PolarHBondContact O-N 2.89Å |
| 161 | T | 89 | Confident | 90.6 | Very high | 107 Ų | 107 | 75.3 Ų | 75.3 | 66% | 0.656 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.1 | 172.4 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | L157 L158 L159 | L157-T161 PolarHBondContact O-N 3.31Å; L157-T161 PolarHBondContact O-OG1 3.14Å; L158-T161 WeakPolarHBondContact CA-OG1 3.45Å; L158-T161 PolarHBondContact O-N 3.4Å; L158-T161 PolarHBondContact O-OG1 2.83Å; L159-T161 VanDerWaalsContact C-N 3.32Å; L159-T161 PolarHBondContact O-N 3.29Å |
| 162 | H | 89.1 | Confident | 90.6 | Very high | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.361 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 11 | 175.6 | -83.4 | -79 | 0 | 0 | 0 | 113 | L158 L159 L160 L174 L175 | L158-H162 PolarHBondContact O-CD2 3.35Å; L158-H162 PolarHBondContact O-N 3.27Å; L159-H162 CarbonylContact O-C 3.58Å; L159-H162 PolarHBondContact O-N 2.82Å; L160-H162 PolarHBondContact O-N 3.08Å; H162-L174 HydrophobicContact CB-CD1 4.01Å; H162-L175 PolarHBondContact ND1-O 3.38Å; H162-L175 PolarHBondContact O-N 2.99Å |
| 163 | L | 91.6 | Very high | 90.5 | Very high | 92 Ų | 92 | 71.7 Ų | 71.7 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.1 | 167.1 | -67.5 | -179.5 | 0 | 0 | 0 | 110.4 | L159 L160 R173 L174 | L159-L163 PolarHBondContact O-N 3.48Å; L160-L163 HydrophobicContact CD2-CD1 3.76Å; L160-L163 PolarHBondContact O-N 2.89Å; L163-R173 WeakPolarHBondContact CA-O 3.22Å; L163-L174 HydrophobicContact CD2-CB 4.28Å; L163-L174 HydrophobicContact CD2-CD1 4.03Å |
| 164 | D | 89 | Confident | 90.2 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 162 | 179.3 | 179.3 | 49.4 | 0 | 0 | 0 | 109.3 | T172 R173 L175 | D164-T172 CarbonylContact O-C 3.46Å; D164-T172 WeakPolarHBondContact O-CA 3.21Å; D164-R173 HydrophobicContact CB-CG 4.11Å; D164-R173 PolarHBondContact N-O 3.09Å; D164-R173 PolarHBondContact O-N 2.96Å; D164-R173 IonicContact OD2-CZ 3.68Å; D164-R173 IonicContact OD2-NE 3.75Å; D164-R173 PolarHBondContact OD2-NE 3Å; D164-R173 IonicContact OD2-NH2 3.69Å; D164-R173 PolarHBondContact OD2-NH2 3.5Å; D164-L175 HydrophobicContact CB-CD1 4.15Å; D164-L175 HydrophobicContact CB-CG 4.36Å; D164-L175 WeakPolarHBondContact OD2-CD1 3.38Å |
| 165 | E | 90.9 | Very high | 90.1 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.4 | 172.9 | -74 | -178.9 | 177.2 | 0 | 0 | 109.7 | T172 | E165-T172 HydrophobicContact CG-CG2 3.94Å |
| 166 | S | 90.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | trans | -55.4 | 122.5 | 174.1 | 165.9 | 0 | 0 | 0 | 0 | 110.1 | V168 T169 G170 R171 L283 | S166-V168 VanDerWaalsContact C-N 3.26Å; S166-V168 PolarHBondContact O-N 3.19Å; S166-T169 WeakPolarHBondContact CB-OG1 3.42Å; S166-T169 PolarHBondContact O-N 3.41Å; S166-T169 PolarHBondContact OG-N 3.35Å; S166-T169 PolarHBondContact OG-OG1 3.05Å; S166-G170 WeakPolarHBondContact O-CA 3.39Å; S166-G170 PolarHBondContact O-N 3.04Å; S166-R171 PolarHBondContact N-O 3.16Å; S166-L283 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 167 | P | 86.3 | Confident | 89.4 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26.3 | -174.3 | 26.9 | -35.1 | 0 | 0 | 0 | 112.9 | E228 | P167-E228 VanDerWaalsContact CB-OE1 3.28Å; P167-E228 WeakPolarHBondContact CB-OE1 3.37Å; P167-E228 HydrophobicContact CG-CG 3.73Å; P167-E228 VanDerWaalsContact CG-OE1 3.28Å; P167-E228 WeakPolarHBondContact CG-OE1 3.37Å |
| 168 | V | 90.3 | Very high | 88.8 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 29% | 0.285 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -33.4 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | S166 I226 E228 I282 L283 V347 | S166-V168 VanDerWaalsContact C-N 3.26Å; S166-V168 PolarHBondContact O-N 3.19Å; V168-I226 HydrophobicContact CG2-CG2 4.03Å; V168-E228 HydrophobicContact CG2-CB 4.48Å; V168-E228 HydrophobicContact CG2-CG 4.35Å; V168-I282 HydrophobicContact CG2-CD1 4.38Å; V168-L283 HydrophobicContact CB-CD2 3.9Å; V168-L283 HydrophobicContact CG1-CD2 4.46Å; V168-L283 HydrophobicContact CG2-CD2 4.35Å; V168-V347 HydrophobicContact CG1-CG1 4.1Å; V168-V347 HydrophobicContact CG1-CG2 4.17Å |
| 169 | T | 92.6 | Very high | 88.4 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -11.8 | -168.9 | 61 | 0 | 0 | 0 | 0 | 115 | S166 R171 L283 E343 V347 | S166-T169 WeakPolarHBondContact CB-OG1 3.42Å; S166-T169 PolarHBondContact O-N 3.41Å; S166-T169 PolarHBondContact OG-N 3.35Å; S166-T169 PolarHBondContact OG-OG1 3.05Å; T169-R171 PolarHBondContact O-N 2.66Å; T169-L283 HydrophobicContact CG2-CD2 3.9Å; T169-E343 VanDerWaalsContact CB-OE1 3.23Å; T169-E343 WeakPolarHBondContact CB-OE1 3.43Å; T169-E343 HydrophobicContact CG2-CG 3.86Å; T169-E343 WeakPolarHBondContact CG2-OE1 3.39Å; T169-E343 PolarHBondContact OG1-OE1 3.37Å; T169-V347 HydrophobicContact CG2-CG2 3.58Å |
| 170 | G | 91.8 | Very high | 88.2 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | trans | 67.6 | 10.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S166 | S166-G170 WeakPolarHBondContact O-CA 3.39Å; S166-G170 PolarHBondContact O-N 3.04Å | ||
| 171 | R | 92.9 | Very high | 87.9 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | trans | -76.7 | 129.9 | -179.7 | -175.3 | -178.6 | 58.9 | 80.1 | -9.7 | 111 | S166 T169 R173 E288 L340 E343 | S166-R171 PolarHBondContact N-O 3.16Å; T169-R171 PolarHBondContact O-N 2.66Å; R171-R173 PolarHBondContact O-N 3.24Å; R171-E288 IonicContact CZ-OE1 2.69Å; R171-E288 IonicContact CZ-OE2 2.67Å; R171-E288 IonicContact NH1-OE1 2.76Å; R171-E288 PolarHBondContact NH1-OE1 3.39Å; R171-E288 IonicContact NH1-OE2 2.7Å; R171-E288 PolarHBondContact NH1-OE2 3.15Å; R171-E288 IonicContact NH2-OE1 3.55Å; R171-E288 IonicContact NH2-OE2 2.66Å; R171-E288 PolarHBondContact NH2-OE2 2.96Å; R171-L340 VanDerWaalsContact NH2-CD2 3.34Å; R171-E343 WeakPolarHBondContact CB-OE1 3.34Å; R171-E343 IonicContact CZ-OE2 2.96Å; R171-E343 IonicContact NE-OE1 3.87Å; R171-E343 PolarHBondContact NE-OE1 3.41Å; R171-E343 IonicContact NE-OE2 3.84Å; R171-E343 PolarHBondContact NE-OE2 3.42Å; R171-E343 IonicContact NH2-OE2 2.75Å; R171-E343 PolarHBondContact NH2-OE2 3.49Å | ||
| 172 | T | 91.4 | Very high | 87.6 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 130.4 | 169.8 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | D164 E165 | D164-T172 CarbonylContact O-C 3.46Å; D164-T172 WeakPolarHBondContact O-CA 3.21Å; E165-T172 HydrophobicContact CG-CG2 3.94Å |
| 173 | R | 89.9 | Confident | 87.5 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 161.4 | -178.2 | 55.1 | -176 | -172.9 | 166.9 | 10.2 | 110.6 | L163 D164 R171 L175 L283 D284 E288 | L163-R173 WeakPolarHBondContact CA-O 3.22Å; D164-R173 HydrophobicContact CB-CG 4.11Å; D164-R173 PolarHBondContact N-O 3.09Å; D164-R173 PolarHBondContact O-N 2.96Å; D164-R173 IonicContact OD2-CZ 3.68Å; D164-R173 IonicContact OD2-NE 3.75Å; D164-R173 PolarHBondContact OD2-NE 3Å; D164-R173 IonicContact OD2-NH2 3.69Å; D164-R173 PolarHBondContact OD2-NH2 3.5Å; R171-R173 PolarHBondContact O-N 3.24Å; R173-L175 HydrophobicContact CG-CG 4.43Å; R173-L283 VanDerWaalsContact NH1-C 3.29Å; R173-L283 PolarHBondContact NH1-O 3.23Å; R173-D284 IonicContact CZ-OD2 3.34Å; R173-D284 VanDerWaalsContact CZ-OD2 3.29Å; R173-D284 IonicContact NH1-OD2 2.89Å; R173-D284 PolarHBondContact NH1-OD2 2.89Å; R173-D284 IonicContact NH2-OD2 3.54Å; R173-D284 PolarHBondContact NH2-OD2 3.18Å; R173-E288 VanDerWaalsContact CB-CD 3.43Å; R173-E288 HydrophobicContact CB-CG 4.21Å; R173-E288 VanDerWaalsContact CB-OE1 3.24Å; R173-E288 WeakPolarHBondContact CB-OE1 3.04Å |
| 174 | L | 88.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 109.3 | 178.5 | 179.4 | 71.9 | 0 | 0 | 0 | 110 | L159 H162 L163 V176 S291 V295 | L159-L174 HydrophobicContact CD2-CD1 4.26Å; L159-L174 HydrophobicContact CD2-CD2 4.29Å; H162-L174 HydrophobicContact CB-CD1 4.01Å; L163-L174 HydrophobicContact CD2-CB 4.28Å; L163-L174 HydrophobicContact CD2-CD1 4.03Å; L174-V176 HydrophobicContact CG-CG2 4.29Å; L174-S291 WeakPolarHBondContact O-CB 3.28Å; L174-V295 HydrophobicContact CD2-CG2 4.2Å |
| 175 | L | 88.7 | Confident | 87.2 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | trans | -113.5 | 96.4 | 178.5 | -66.8 | -175.4 | 0 | 0 | 0 | 110.9 | H162 D164 R173 F177 A287 E288 | H162-L175 PolarHBondContact ND1-O 3.38Å; H162-L175 PolarHBondContact O-N 2.99Å; D164-L175 HydrophobicContact CB-CD1 4.15Å; D164-L175 HydrophobicContact CB-CG 4.36Å; D164-L175 WeakPolarHBondContact OD2-CD1 3.38Å; R173-L175 HydrophobicContact CG-CG 4.43Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-A287 HydrophobicContact CD2-CB 4.2Å; L175-E288 HydrophobicContact CD2-CB 4.14Å | ||
| 176 | V | 85.4 | Confident | 86.9 | Confident | 51 Ų | 51 | 60 Ų | 60 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | trans | -76.4 | -27.2 | 174 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | L174 S291 V295 | L174-V176 HydrophobicContact CG-CG2 4.29Å; V176-S291 PolarHBondContact N-OG 3.39Å; V176-V295 HydrophobicContact CG2-CG2 3.92Å | ||
| 177 | F | 78.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -91.4 | 136.7 | 173.2 | -65.6 | -73.6 | 0 | 0 | 0 | 111.7 | L175 A290 H294 | L175-F177 VanDerWaalsContact C-N 3.33Å; F177-A290 HydrophobicContact CD2-CB 4.49Å; F177-A290 HydrophobicContact CE2-CB 4.26Å; F177-H294 AromaticContact CZ-CE1 3.57Å; F177-H294 AromaticContact CZ-ND1 3.44Å; F177-H294 WeakPolarHBondContact CZ-ND1 3.37Å |
| 178 | S | 81.1 | Confident | 87 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | trans | -71.4 | 138.1 | 166.4 | 55.5 | 0 | 0 | 0 | 0 | 110 | E180 K181 Y182 | S178-E180 PolarHBondContact O-N 3.05Å; S178-E180 VanDerWaalsContact O-N 3.13Å; S178-K181 PolarHBondContact O-N 3.39Å; S178-K181 WeakPolarHBondContact OG-CD 3.47Å; S178-Y182 PolarHBondContact O-N 3.25Å | ||
| 179 | R | 80.3 | Confident | 86.8 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -46.8 | -45.7 | -177.7 | -164.3 | 177 | -173.7 | -145.9 | -1.6 | 111.9 | K181 Y182 M183 D284 | R179-K181 PolarHBondContact O-N 3.04Å; R179-Y182 CarbonylContact O-C 3.6Å; R179-Y182 WeakPolarHBondContact O-CA 3.46Å; R179-Y182 PolarHBondContact O-N 2.94Å; R179-M183 HydrophobicContact CG-CE 3.99Å; R179-M183 WeakPolarHBondContact O-CG 3.36Å; R179-M183 PolarHBondContact O-N 3.44Å; R179-D284 IonicContact NE-OD1 3.21Å |
| 180 | E | 83.8 | Confident | 86.7 | Confident | 159 Ų | 159 | 59.5 Ų | 59.5 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -47.6 | -51.4 | 174.7 | -60.5 | 171.4 | 163.9 | 0 | 0 | 114.1 | S178 Y182 M183 E184 | S178-E180 PolarHBondContact O-N 3.05Å; S178-E180 VanDerWaalsContact O-N 3.13Å; E180-Y182 VanDerWaalsContact C-N 3.29Å; E180-Y182 PolarHBondContact O-N 2.86Å; E180-M183 PolarHBondContact O-N 3.4Å; E180-E184 PolarHBondContact O-N 2.68Å |
| 181 | K | 83.9 | Confident | 86.8 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -71.8 | -27.1 | -178.7 | -68 | 175.4 | -174.9 | 166.3 | 0 | 112.1 | S178 R179 L185 | S178-K181 PolarHBondContact O-N 3.39Å; S178-K181 WeakPolarHBondContact OG-CD 3.47Å; R179-K181 PolarHBondContact O-N 3.04Å; K181-L185 PolarHBondContact O-N 2.94Å; K181-L185 VanDerWaalsContact O-N 3.09Å |
| 182 | Y | 82.9 | Confident | 86.6 | Confident | 30 Ų | 30 | 62.5 Ų | 62.5 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.5 | -31.9 | 174.5 | -154.6 | -100.6 | 0 | 0 | 0 | 111.7 | S178 R179 E180 L185 A186 P250 S286 A287 A290 | S178-Y182 PolarHBondContact O-N 3.25Å; R179-Y182 CarbonylContact O-C 3.6Å; R179-Y182 WeakPolarHBondContact O-CA 3.46Å; R179-Y182 PolarHBondContact O-N 2.94Å; E180-Y182 VanDerWaalsContact C-N 3.29Å; E180-Y182 PolarHBondContact O-N 2.86Å; Y182-L185 HydrophobicContact CD2-CD2 4.26Å; Y182-L185 HydrophobicContact CE2-CD2 3.98Å; Y182-L185 PolarHBondContact O-N 3.48Å; Y182-A186 VanDerWaalsContact O-CB 3.32Å; Y182-A186 WeakPolarHBondContact O-CB 3.48Å; Y182-A186 PolarHBondContact O-N 2.8Å; Y182-P250 HydrophobicContact CD1-CG 4.06Å; Y182-P250 HydrophobicContact CE1-CG 3.75Å; Y182-S286 VanDerWaalsContact OH-CB 3.28Å; Y182-S286 WeakPolarHBondContact OH-CB 3.5Å; Y182-S286 PolarHBondContact OH-O 3.27Å; Y182-S286 VanDerWaalsContact OH-O 3.1Å; Y182-S286 PolarHBondContact OH-OG 3.46Å; Y182-A287 HydrophobicContact CD1-CB 3.46Å; Y182-A287 VanDerWaalsContact CD1-CB 3.46Å; Y182-A287 HydrophobicContact CD2-CB 3.92Å; Y182-A287 HydrophobicContact CE1-CB 3.62Å; Y182-A287 HydrophobicContact CE2-CB 4.09Å; Y182-A287 HydrophobicContact CG-CB 3.62Å; Y182-A290 HydrophobicContact CE2-CB 4.01Å |
| 183 | M | 86.8 | Confident | 86.5 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 169.7 | -61.7 | -60.3 | 135.5 | 0 | 0 | 112.1 | R179 E180 L185 A186 A187 P250 | R179-M183 HydrophobicContact CG-CE 3.99Å; R179-M183 WeakPolarHBondContact O-CG 3.36Å; R179-M183 PolarHBondContact O-N 3.44Å; E180-M183 PolarHBondContact O-N 3.4Å; M183-L185 VanDerWaalsContact C-N 3.33Å; M183-L185 PolarHBondContact O-N 3.3Å; M183-A186 PolarHBondContact O-N 2.82Å; M183-A187 WeakPolarHBondContact O-CB 3.4Å; M183-A187 PolarHBondContact O-N 2.9Å; M183-P250 HydrophobicContact CE-CB 3.48Å; M183-P250 VanDerWaalsContact CE-CB 3.48Å; M183-P250 HydrophobicContact SD-CB 3.96Å |
| 184 | E | 88.1 | Confident | 86.7 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.1 | -43.6 | 170.8 | -174.3 | -175.8 | -174.7 | 0 | 0 | 111.2 | E180 L188 | E180-E184 PolarHBondContact O-N 2.68Å; E184-L188 WeakPolarHBondContact O-CG 3.31Å; E184-L188 PolarHBondContact O-N 3.3Å |
| 185 | L | 85.3 | Confident | 87.1 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 34% | 0.335 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 174.3 | -178.1 | 60.1 | 0 | 0 | 0 | 112.2 | P97 K181 Y182 M183 A187 L188 T189 | P97-L185 HydrophobicContact CG-CD1 3.7Å; K181-L185 PolarHBondContact O-N 2.94Å; K181-L185 VanDerWaalsContact O-N 3.09Å; Y182-L185 HydrophobicContact CD2-CD2 4.26Å; Y182-L185 HydrophobicContact CE2-CD2 3.98Å; Y182-L185 PolarHBondContact O-N 3.48Å; M183-L185 VanDerWaalsContact C-N 3.33Å; M183-L185 PolarHBondContact O-N 3.3Å; L185-A187 VanDerWaalsContact C-N 3.29Å; L185-A187 PolarHBondContact O-N 2.91Å; L185-L188 PolarHBondContact O-N 2.9Å; L185-T189 WeakPolarHBondContact O-CB 3.25Å; L185-T189 PolarHBondContact O-N 3.06Å; L185-T189 PolarHBondContact O-OG1 3.12Å |
| 186 | A | 86.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -34 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y182 M183 S190 P250 N251 | Y182-A186 VanDerWaalsContact O-CB 3.32Å; Y182-A186 WeakPolarHBondContact O-CB 3.48Å; Y182-A186 PolarHBondContact O-N 2.8Å; M183-A186 PolarHBondContact O-N 2.82Å; A186-S190 VanDerWaalsContact O-CB 3.31Å; A186-S190 WeakPolarHBondContact O-CB 3.48Å; A186-S190 PolarHBondContact O-N 2.76Å; A186-S190 PolarHBondContact O-OG 2.58Å; A186-P250 HydrophobicContact CB-CB 4.39Å; A186-P250 HydrophobicContact CB-CG 4.26Å; A186-N251 HydrophobicContact CB-CB 4.4Å; A186-N251 PolarHBondContact O-ND2 3.47Å |
| 187 | A | 90.6 | Very high | 87.8 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -55.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M183 L185 T189 S190 E191 | M183-A187 WeakPolarHBondContact O-CB 3.4Å; M183-A187 PolarHBondContact O-N 2.9Å; L185-A187 VanDerWaalsContact C-N 3.29Å; L185-A187 PolarHBondContact O-N 2.91Å; A187-T189 VanDerWaalsContact C-N 3.33Å; A187-T189 PolarHBondContact O-N 3.36Å; A187-S190 PolarHBondContact O-N 2.93Å; A187-S190 PolarHBondContact O-OG 3.25Å; A187-E191 WeakPolarHBondContact O-CG 3.08Å; A187-E191 PolarHBondContact O-N 3.46Å |
| 188 | L | 88.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 72 Ų | 72 | 38% | 0.377 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 178.4 | -65.9 | 170.9 | 0 | 0 | 0 | 112.6 | E184 L185 E191 A192 | E184-L188 WeakPolarHBondContact O-CG 3.31Å; E184-L188 PolarHBondContact O-N 3.3Å; L185-L188 PolarHBondContact O-N 2.9Å; L188-E191 PolarHBondContact O-N 2.84Å; L188-A192 WeakPolarHBondContact O-CB 3.2Å; L188-A192 PolarHBondContact O-N 3.37Å |
| 189 | T | 85.3 | Confident | 89.4 | Confident | 47 Ų | 47 | 79 Ų | 79 | 29% | 0.288 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 174.3 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L185 A187 A192 H193 L249 | L185-T189 WeakPolarHBondContact O-CB 3.25Å; L185-T189 PolarHBondContact O-N 3.06Å; L185-T189 PolarHBondContact O-OG1 3.12Å; A187-T189 VanDerWaalsContact C-N 3.33Å; A187-T189 PolarHBondContact O-N 3.36Å; T189-A192 PolarHBondContact O-N 3.33Å; T189-H193 PolarHBondContact O-CD2 2.9Å; T189-H193 PolarHBondContact O-N 3.24Å; T189-L249 HydrophobicContact CG2-CD1 4.22Å; T189-L249 HydrophobicContact CG2-CD2 4.14Å |
| 190 | S | 90.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 77.3 Ų | 77.3 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.9 | -35.1 | 176.1 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | A186 A187 L194 N251 | A186-S190 VanDerWaalsContact O-CB 3.31Å; A186-S190 WeakPolarHBondContact O-CB 3.48Å; A186-S190 PolarHBondContact O-N 2.76Å; A186-S190 PolarHBondContact O-OG 2.58Å; A187-S190 PolarHBondContact O-N 2.93Å; A187-S190 PolarHBondContact O-OG 3.25Å; S190-L194 WeakPolarHBondContact O-CB 3.39Å; S190-L194 WeakPolarHBondContact O-CG 3.37Å; S190-L194 PolarHBondContact O-N 3.28Å; S190-N251 PolarHBondContact OG-ND2 2.52Å |
| 191 | E | 93.4 | Very high | 90.8 | Very high | 114 Ų | 114 | 72.4 Ų | 72.4 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 172.4 | -70.8 | 172.3 | 166.7 | 0 | 0 | 110.2 | A187 L188 H193 L194 E195 | A187-E191 WeakPolarHBondContact O-CG 3.08Å; A187-E191 PolarHBondContact O-N 3.46Å; L188-E191 PolarHBondContact O-N 2.84Å; E191-H193 PolarHBondContact O-N 2.81Å; E191-L194 PolarHBondContact O-N 3.17Å; E191-L194 VanDerWaalsContact O-N 3.13Å; E191-E195 PolarHBondContact O-N 3.45Å |
| 192 | A | 89.7 | Confident | 91.5 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L188 T189 L194 E195 E196 | L188-A192 WeakPolarHBondContact O-CB 3.2Å; L188-A192 PolarHBondContact O-N 3.37Å; T189-A192 PolarHBondContact O-N 3.33Å; A192-L194 VanDerWaalsContact C-N 3.35Å; A192-E195 PolarHBondContact O-N 2.96Å; A192-E196 VanDerWaalsContact O-CB 3.31Å; A192-E196 WeakPolarHBondContact O-CB 3.3Å; A192-E196 PolarHBondContact O-N 2.81Å |
| 193 | H | 88.7 | Confident | 92.2 | Very high | 47 Ų | 47 | 69.2 Ų | 69.2 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.9 | -28.4 | 175.8 | -71.4 | -51.9 | 0 | 0 | 0 | 113.3 | T189 E191 E196 F197 F255 | T189-H193 PolarHBondContact O-CD2 2.9Å; T189-H193 PolarHBondContact O-N 3.24Å; E191-H193 PolarHBondContact O-N 2.81Å; H193-E196 IonicContact CE1-OE2 3.52Å; H193-E196 IonicContact CG-OE2 3.65Å; H193-E196 IonicContact ND1-OE2 2.66Å; H193-E196 PolarHBondContact ND1-OE2 3.29Å; H193-F197 HydrophobicContact CB-CD2 4.17Å; H193-F197 HydrophobicContact CB-CE2 4.02Å; H193-F197 AromaticContact ND1-CE2 3.89Å; H193-F197 WeakPolarHBondContact O-CB 3.13Å; H193-F197 WeakPolarHBondContact O-CD2 3.24Å; H193-F197 PolarHBondContact O-N 3.39Å; H193-F255 HydrophobicContact CB-CE1 3.89Å; H193-F255 HydrophobicContact CB-CE2 4.31Å; H193-F255 HydrophobicContact CB-CZ 3.66Å |
| 194 | L | 95.3 | Very high | 92.6 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.3 | -33.1 | 172.9 | -75.5 | 172.9 | 0 | 0 | 0 | 112.2 | S190 E191 A192 A198 L201 F255 | S190-L194 WeakPolarHBondContact O-CB 3.39Å; S190-L194 WeakPolarHBondContact O-CG 3.37Å; S190-L194 PolarHBondContact O-N 3.28Å; E191-L194 PolarHBondContact O-N 3.17Å; E191-L194 VanDerWaalsContact O-N 3.13Å; A192-L194 VanDerWaalsContact C-N 3.35Å; L194-A198 WeakPolarHBondContact O-CA 3.48Å; L194-A198 WeakPolarHBondContact O-CB 3.4Å; L194-A198 PolarHBondContact O-N 2.92Å; L194-L201 HydrophobicContact CD2-CD1 3.96Å; L194-F255 HydrophobicContact CD2-CE1 4.19Å; L194-F255 HydrophobicContact CD2-CZ 4.24Å; L194-F255 HydrophobicContact CG-CZ 4.2Å |
| 195 | E | 95.8 | Very high | 93 | Very high | 159 Ų | 159 | 69.4 Ų | 69.4 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.7 | -45 | 169.6 | -68.9 | -177.5 | 167.1 | 0 | 0 | 111.6 | E191 A192 A198 | E191-E195 PolarHBondContact O-N 3.45Å; A192-E195 PolarHBondContact O-N 2.96Å; E195-A198 WeakPolarHBondContact O-CB 3.45Å; E195-A198 PolarHBondContact O-N 3.38Å |
| 196 | E | 93.3 | Very high | 93.7 | Very high | 124 Ų | 124 | 68.5 Ų | 68.5 | 58% | 0.579 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.5 | -45.9 | 179.8 | -179.6 | 178.1 | -152 | 0 | 0 | 113 | A192 H193 | A192-E196 VanDerWaalsContact O-CB 3.31Å; A192-E196 WeakPolarHBondContact O-CB 3.3Å; A192-E196 PolarHBondContact O-N 2.81Å; H193-E196 IonicContact CE1-OE2 3.52Å; H193-E196 IonicContact CG-OE2 3.65Å; H193-E196 IonicContact ND1-OE2 2.66Å; H193-E196 PolarHBondContact ND1-OE2 3.29Å |
| 197 | F | 95.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 72.4 Ų | 72.4 | 11% | 0.114 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 6.6 | -177.7 | -55.9 | -50.9 | 0 | 0 | 0 | 113.8 | H193 E199 L200 L201 V239 F247 F255 F257 | H193-F197 HydrophobicContact CB-CD2 4.17Å; H193-F197 HydrophobicContact CB-CE2 4.02Å; H193-F197 AromaticContact ND1-CE2 3.89Å; H193-F197 WeakPolarHBondContact O-CB 3.13Å; H193-F197 WeakPolarHBondContact O-CD2 3.24Å; H193-F197 PolarHBondContact O-N 3.39Å; F197-E199 VanDerWaalsContact C-N 3.29Å; F197-E199 PolarHBondContact O-N 3.31Å; F197-E199 VanDerWaalsContact O-N 3.1Å; F197-L200 CarbonylContact O-C 3.59Å; F197-L200 WeakPolarHBondContact O-CA 3.27Å; F197-L200 PolarHBondContact O-N 3.2Å; F197-L201 HydrophobicContact CB-CD2 4.33Å; F197-L201 HydrophobicContact CB-CG 4.47Å; F197-L201 WeakPolarHBondContact O-CG 3.19Å; F197-L201 PolarHBondContact O-N 3.06Å; F197-L201 VanDerWaalsContact O-N 3.15Å; F197-V239 HydrophobicContact CB-CG1 4.27Å; F197-V239 HydrophobicContact CB-CG2 4.12Å; F197-V239 HydrophobicContact CD1-CG1 4.02Å; F197-V239 HydrophobicContact CD2-CG2 4.08Å; F197-V239 HydrophobicContact CG-CG1 4.14Å; F197-V239 HydrophobicContact CG-CG2 4.02Å; F197-F247 HydrophobicContact CE2-CE1 4.43Å; F197-F247 HydrophobicContact CE2-CZ 4.25Å; F197-F255 HydrophobicContact CD2-CD1 4Å; F197-F255 HydrophobicContact CD2-CE1 4.04Å; F197-F255 HydrophobicContact CE2-CD1 4.37Å; F197-F257 HydrophobicContact CE1-CE1 4.48Å; F197-F257 HydrophobicContact CE1-CZ 4.29Å; F197-F257 HydrophobicContact CE2-CZ 4.27Å; F197-F257 AromaticContact CZ-CZ 3.91Å; F197-F257 HydrophobicContact CZ-CZ 3.91Å |
| 198 | A | 95.9 | Very high | 94.5 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 49% | 0.488 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -50.9 | -41.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L194 E195 L200 | L194-A198 WeakPolarHBondContact O-CA 3.48Å; L194-A198 WeakPolarHBondContact O-CB 3.4Å; L194-A198 PolarHBondContact O-N 2.92Å; E195-A198 WeakPolarHBondContact O-CB 3.45Å; E195-A198 PolarHBondContact O-N 3.38Å; A198-L200 VanDerWaalsContact C-N 3.32Å |
| 199 | E | 96.6 | Very high | 95 | Very high | 196 Ų | 196 | 71 Ų | 71 | 92% | 0.916 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -79.4 | -11.7 | 179.5 | -59.9 | -169.8 | 160.6 | 0 | 0 | 113.9 | F197 | F197-E199 VanDerWaalsContact C-N 3.29Å; F197-E199 PolarHBondContact O-N 3.31Å; F197-E199 VanDerWaalsContact O-N 3.1Å |
| 200 | L | 97.3 | Very high | 95.6 | Very high | 78 Ų | 78 | 72.5 Ų | 72.5 | 41% | 0.408 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -108.7 | -2.1 | -177.2 | -57.5 | 179.4 | 0 | 0 | 0 | 113.3 | F197 A198 L202 V239 E240 | F197-L200 CarbonylContact O-C 3.59Å; F197-L200 WeakPolarHBondContact O-CA 3.27Å; F197-L200 PolarHBondContact O-N 3.2Å; A198-L200 VanDerWaalsContact C-N 3.32Å; L200-L202 PolarHBondContact O-N 3.43Å; L200-V239 HydrophobicContact CB-CG1 3.92Å; L200-V239 HydrophobicContact CD1-CG1 4.29Å; L200-E240 PolarHBondContact O-N 2.82Å |
| 201 | L | 97.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 76.5 Ų | 76.5 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -74 | 118.2 | -178.9 | -71.8 | 178.7 | 0 | 0 | 0 | 111.7 | L194 F197 H237 V238 V239 | L194-L201 HydrophobicContact CD2-CD1 3.96Å; F197-L201 HydrophobicContact CB-CD2 4.33Å; F197-L201 HydrophobicContact CB-CG 4.47Å; F197-L201 WeakPolarHBondContact O-CG 3.19Å; F197-L201 PolarHBondContact O-N 3.06Å; F197-L201 VanDerWaalsContact O-N 3.15Å; L201-H237 HydrophobicContact CD2-CB 3.95Å; L201-V238 WeakPolarHBondContact CA-O 3.36Å; L201-V239 HydrophobicContact CD2-CG2 4.12Å |
| 202 | L | 97.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 71 Ų | 71 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 133.8 | 171.6 | -64.8 | -174.3 | 0 | 0 | 0 | 110.4 | L200 D206 L208 H209 V238 E240 T258 | L200-L202 PolarHBondContact O-N 3.43Å; L202-D206 HydrophobicContact CB-CB 4.27Å; L202-L208 HydrophobicContact CD1-CB 4.25Å; L202-L208 HydrophobicContact CD1-CD1 4.15Å; L202-H209 PolarHBondContact O-ND1 3.37Å; L202-V238 HydrophobicContact CB-CB 4.32Å; L202-V238 HydrophobicContact CD1-CB 4.44Å; L202-V238 HydrophobicContact CD1-CG1 3.8Å; L202-V238 HydrophobicContact CG-CG1 4.34Å; L202-V238 PolarHBondContact N-O 2.86Å; L202-E240 HydrophobicContact CD2-CB 4Å; L202-E240 HydrophobicContact CG-CB 4.38Å; L202-T258 HydrophobicContact CD1-CG2 3.84Å |
| 203 | P | 97.3 | Very high | 96.6 | Very high | 74 Ų | 74 | 72 Ų | 72 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 154 | -178.2 | 29 | -35.9 | 0 | 0 | 0 | 111.5 | T205 D206 H209 | P203-T205 PolarHBondContact O-N 3.45Å; P203-D206 HydrophobicContact CG-CB 4.36Å; P203-D206 VanDerWaalsContact O-CB 3.27Å; P203-D206 WeakPolarHBondContact O-CB 3.27Å; P203-D206 PolarHBondContact O-N 3.1Å; P203-H209 WeakPolarHBondContact O-CB 3.45Å |
| 204 | A | 95.8 | Very high | 97 | Very high | 60 Ų | 60 | 75.8 Ų | 75.8 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -7.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q210 | A204-Q210 WeakPolarHBondContact O-CG 3.35Å; A204-Q210 PolarHBondContact O-NE2 2.87Å |
| 205 | T | 97.2 | Very high | 97.2 | Very high | 116 Ų | 116 | 73.6 Ų | 73.6 | 71% | 0.712 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.6 | 170.7 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | P203 | P203-T205 PolarHBondContact O-N 3.45Š|
| 206 | D | 98.3 | Very high | 97.3 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -76.6 | 136.8 | 178.8 | -171.1 | -83.9 | 0 | 0 | 0 | 111.4 | L202 P203 L208 H209 Q210 | L202-D206 HydrophobicContact CB-CB 4.27Å; P203-D206 HydrophobicContact CG-CB 4.36Å; P203-D206 VanDerWaalsContact O-CB 3.27Å; P203-D206 WeakPolarHBondContact O-CB 3.27Å; P203-D206 PolarHBondContact O-N 3.1Å; D206-L208 VanDerWaalsContact C-N 3.25Å; D206-L208 PolarHBondContact O-N 3.12Å; D206-L208 VanDerWaalsContact OD1-CB 3.26Å; D206-L208 WeakPolarHBondContact OD1-CB 3.46Å; D206-L208 PolarHBondContact OD1-N 2.95Å; D206-H209 HydrophobicContact CB-CB 4.24Å; D206-H209 WeakPolarHBondContact O-CB 3.42Å; D206-H209 PolarHBondContact O-N 3.5Å; D206-H209 VanDerWaalsContact O-N 3.11Å; D206-Q210 WeakPolarHBondContact O-CG 3.2Å; D206-Q210 PolarHBondContact O-N 3.42Å |
| 207 | P | 97.6 | Very high | 97.5 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.4 | -27.7 | -179.3 | 24.6 | -36 | 0 | 0 | 0 | 114.2 | M211 | P207-M211 WeakPolarHBondContact O-CB 3.24Å; P207-M211 PolarHBondContact O-N 2.96Å |
| 208 | L | 97.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.8 | -41.7 | 174.2 | -60.3 | -179.8 | 0 | 0 | 0 | 110.9 | L202 D206 M211 V212 T258 L261 | L202-L208 HydrophobicContact CD1-CB 4.25Å; L202-L208 HydrophobicContact CD1-CD1 4.15Å; D206-L208 VanDerWaalsContact C-N 3.25Å; D206-L208 PolarHBondContact O-N 3.12Å; D206-L208 VanDerWaalsContact OD1-CB 3.26Å; D206-L208 WeakPolarHBondContact OD1-CB 3.46Å; D206-L208 PolarHBondContact OD1-N 2.95Å; L208-M211 PolarHBondContact O-N 3.02Å; L208-V212 WeakPolarHBondContact O-CG2 3.43Å; L208-V212 PolarHBondContact O-N 3.48Å; L208-V212 VanDerWaalsContact O-N 3.12Å; L208-T258 HydrophobicContact CD1-CG2 4.11Å; L208-L261 HydrophobicContact CB-CD1 3.97Å; L208-L261 HydrophobicContact CD1-CD1 4.4Å; L208-L261 HydrophobicContact CD2-CD1 4.41Å; L208-L261 HydrophobicContact CG-CD1 4.5Å |
| 209 | H | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 174 | -164.5 | 125.5 | 0 | 0 | 0 | 110.5 | L202 P203 D206 M211 V212 E213 V236 V238 | L202-H209 PolarHBondContact O-ND1 3.37Å; P203-H209 WeakPolarHBondContact O-CB 3.45Å; D206-H209 HydrophobicContact CB-CB 4.24Å; D206-H209 WeakPolarHBondContact O-CB 3.42Å; D206-H209 PolarHBondContact O-N 3.5Å; D206-H209 VanDerWaalsContact O-N 3.11Å; H209-M211 VanDerWaalsContact C-N 3.35Å; H209-M211 PolarHBondContact O-N 3.33Å; H209-V212 PolarHBondContact O-N 2.94Å; H209-E213 WeakPolarHBondContact O-CB 3.49Å; H209-E213 PolarHBondContact O-N 3.3Å; H209-V236 PolarHBondContact CE1-O 3.47Å; H209-V236 PolarHBondContact NE2-O 3.16Å; H209-V238 HydrophobicContact CB-CG2 4.32Å |
| 210 | Q | 98.2 | Very high | 97.8 | Very high | 78 Ų | 78 | 54.7 Ų | 54.7 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | -179.8 | -68.3 | 178 | 1.7 | 0 | 0 | 113 | A204 D206 Q214 | A204-Q210 WeakPolarHBondContact O-CG 3.35Å; A204-Q210 PolarHBondContact O-NE2 2.87Å; D206-Q210 WeakPolarHBondContact O-CG 3.2Å; D206-Q210 PolarHBondContact O-N 3.42Å; Q210-Q214 VanDerWaalsContact O-CB 3.32Å; Q210-Q214 WeakPolarHBondContact O-CB 3.34Å; Q210-Q214 WeakPolarHBondContact O-CG 3.28Å; Q210-Q214 PolarHBondContact O-N 3.39Å |
| 211 | M | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 44% | 0.438 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 175.4 | -174.1 | -172.7 | -56.9 | 0 | 0 | 111.8 | P207 L208 H209 Q214 A215 L270 | P207-M211 WeakPolarHBondContact O-CB 3.24Å; P207-M211 PolarHBondContact O-N 2.96Å; L208-M211 PolarHBondContact O-N 3.02Å; H209-M211 VanDerWaalsContact C-N 3.35Å; H209-M211 PolarHBondContact O-N 3.33Å; M211-Q214 PolarHBondContact O-N 3.01Å; M211-A215 WeakPolarHBondContact O-CB 3.31Å; M211-A215 PolarHBondContact O-N 2.91Å; M211-L270 HydrophobicContact CG-CD2 4.15Å; M211-L270 HydrophobicContact SD-CD2 4.14Å |
| 212 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | L208 H209 A215 V216 V236 V238 M256 L261 L270 L274 | L208-V212 WeakPolarHBondContact O-CG2 3.43Å; L208-V212 PolarHBondContact O-N 3.48Å; L208-V212 VanDerWaalsContact O-N 3.12Å; H209-V212 PolarHBondContact O-N 2.94Å; V212-A215 PolarHBondContact O-N 2.97Å; V212-V216 HydrophobicContact CG1-CG2 4.44Å; V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.23Å; V212-V236 HydrophobicContact CB-CG1 4.07Å; V212-V236 HydrophobicContact CG1-CG1 3.76Å; V212-V236 HydrophobicContact CG1-CG2 4.21Å; V212-V238 HydrophobicContact CB-CG2 4.16Å; V212-V238 HydrophobicContact CG2-CG2 4.19Å; V212-M256 HydrophobicContact CG1-CB 4.1Å; V212-M256 HydrophobicContact CG1-CG 4.17Å; V212-M256 HydrophobicContact CG2-CG 3.89Å; V212-L261 HydrophobicContact CG2-CD1 4.01Å; V212-L261 HydrophobicContact CG2-CD2 3.69Å; V212-L261 HydrophobicContact CG2-CG 4.47Å; V212-L270 HydrophobicContact CG2-CD2 4.37Å; V212-L274 HydrophobicContact CG1-CD1 4.26Å; V212-L274 HydrophobicContact CG1-CD2 4.24Å |
| 213 | E | 98.3 | Very high | 97.9 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -48 | 173.7 | -168.4 | -174.9 | -166.9 | 0 | 0 | 111.7 | H209 A215 V216 Q217 V236 | H209-E213 WeakPolarHBondContact O-CB 3.49Å; H209-E213 PolarHBondContact O-N 3.3Å; E213-A215 VanDerWaalsContact C-N 3.3Å; E213-A215 PolarHBondContact O-N 3.12Å; E213-V216 PolarHBondContact O-N 3.41Å; E213-Q217 HydrophobicContact CG-CG 4.27Å; E213-Q217 WeakPolarHBondContact O-CB 3.36Å; E213-Q217 VanDerWaalsContact O-CG 3.26Å; E213-Q217 WeakPolarHBondContact O-CG 3.48Å; E213-Q217 PolarHBondContact O-N 2.82Å; E213-Q217 PolarHBondContact OE1-NE2 2.9Å; E213-V236 HydrophobicContact CB-CB 4.41Å; E213-V236 HydrophobicContact CB-CG2 4.42Å |
| 214 | Q | 98.2 | Very high | 97.8 | Very high | 127 Ų | 127 | 62.5 Ų | 62.5 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | 177 | -73 | 168.1 | 30.4 | 0 | 0 | 112.3 | Q210 M211 L218 | Q210-Q214 VanDerWaalsContact O-CB 3.32Å; Q210-Q214 WeakPolarHBondContact O-CB 3.34Å; Q210-Q214 WeakPolarHBondContact O-CG 3.28Å; Q210-Q214 PolarHBondContact O-N 3.39Å; M211-Q214 PolarHBondContact O-N 3.01Å; Q214-L218 VanDerWaalsContact O-CB 3.25Å; Q214-L218 WeakPolarHBondContact O-CB 3.33Å; Q214-L218 PolarHBondContact O-N 2.93Å |
| 215 | A | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M211 V212 E213 L218 L219 L267 L270 M271 L274 | M211-A215 WeakPolarHBondContact O-CB 3.31Å; M211-A215 PolarHBondContact O-N 2.91Å; V212-A215 PolarHBondContact O-N 2.97Å; E213-A215 VanDerWaalsContact C-N 3.3Å; E213-A215 PolarHBondContact O-N 3.12Å; A215-L218 PolarHBondContact O-N 3.47Å; A215-L219 WeakPolarHBondContact O-CG 3.37Å; A215-L219 PolarHBondContact O-N 2.81Å; A215-L267 HydrophobicContact CB-CD1 4.24Å; A215-L270 HydrophobicContact CB-CD2 4.43Å; A215-M271 HydrophobicContact CB-SD 3.61Å; A215-L274 HydrophobicContact CB-CD1 3.53Å |
| 216 | V | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | V212 E213 L218 L219 A220 W234 V236 V254 L274 | V212-V216 HydrophobicContact CG1-CG2 4.44Å; V212-V216 WeakPolarHBondContact O-CG2 3.43Å; V212-V216 PolarHBondContact O-N 3.23Å; E213-V216 PolarHBondContact O-N 3.41Å; V216-L218 VanDerWaalsContact C-N 3.35Å; V216-L218 PolarHBondContact O-N 3.38Å; V216-L219 PolarHBondContact O-N 2.42Å; V216-A220 WeakPolarHBondContact O-CB 3.21Å; V216-A220 PolarHBondContact O-N 2.93Å; V216-W234 HydrophobicContact CG1-CB 3.9Å; V216-W234 HydrophobicContact CG1-CG 4.31Å; V216-V236 HydrophobicContact CB-CG2 4Å; V216-V236 HydrophobicContact CG1-CG2 4.37Å; V216-V236 HydrophobicContact CG2-CG2 3.76Å; V216-V254 HydrophobicContact CG1-CG2 4.16Å; V216-V254 HydrophobicContact CG2-CG1 4.2Å; V216-V254 HydrophobicContact CG2-CG2 4.17Å; V216-L274 HydrophobicContact CG2-CD1 3.99Å; V216-L274 HydrophobicContact CG2-CD2 3.93Å; V216-L274 HydrophobicContact CG2-CG 4.46Å |
| 217 | Q | 98.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.8 | -73.8 | -176.7 | 16.3 | 0 | 0 | 111.6 | E213 A220 Q221 | E213-Q217 HydrophobicContact CG-CG 4.27Å; E213-Q217 WeakPolarHBondContact O-CB 3.36Å; E213-Q217 VanDerWaalsContact O-CG 3.26Å; E213-Q217 WeakPolarHBondContact O-CG 3.48Å; E213-Q217 PolarHBondContact O-N 2.82Å; E213-Q217 PolarHBondContact OE1-NE2 2.9Å; Q217-A220 PolarHBondContact O-N 2.72Å; Q217-Q221 VanDerWaalsContact O-CB 3.28Å; Q217-Q221 WeakPolarHBondContact O-CB 3.42Å; Q217-Q221 WeakPolarHBondContact O-CG 3.15Å; Q217-Q221 PolarHBondContact O-N 2.41Å |
| 218 | L | 98.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.7 | -180 | 60.7 | 0 | 0 | 0 | 111.6 | Q214 A215 V216 R222 M271 A355 | Q214-L218 VanDerWaalsContact O-CB 3.25Å; Q214-L218 WeakPolarHBondContact O-CB 3.33Å; Q214-L218 PolarHBondContact O-N 2.93Å; A215-L218 PolarHBondContact O-N 3.47Å; V216-L218 VanDerWaalsContact C-N 3.35Å; V216-L218 PolarHBondContact O-N 3.38Å; L218-R222 HydrophobicContact CD1-CG 3.73Å; L218-R222 HydrophobicContact CG-CG 4.42Å; L218-R222 WeakPolarHBondContact O-CB 3.38Å; L218-R222 WeakPolarHBondContact O-CG 3.23Å; L218-R222 PolarHBondContact O-N 2.59Å; L218-M271 HydrophobicContact CB-CE 4.25Å; L218-M271 HydrophobicContact CD2-CE 3.71Å; L218-M271 HydrophobicContact CG-CE 3.92Å; L218-A355 HydrophobicContact CG-CB 4.47Å |
| 219 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.1 | -51.3 | 173.4 | -78.1 | 161.5 | 0 | 0 | 0 | 111.1 | A215 V216 R222 N223 M271 L274 M278 L351 A355 | A215-L219 WeakPolarHBondContact O-CG 3.37Å; A215-L219 PolarHBondContact O-N 2.81Å; V216-L219 PolarHBondContact O-N 2.42Å; L219-R222 PolarHBondContact O-N 3.43Å; L219-N223 WeakPolarHBondContact O-CB 3.36Å; L219-N223 PolarHBondContact O-N 3.42Å; L219-N223 VanDerWaalsContact O-N 3.16Å; L219-N223 PolarHBondContact O-ND2 3.16Å; L219-M271 HydrophobicContact CD1-CE 4.47Å; L219-M271 HydrophobicContact CD1-SD 4.1Å; L219-M271 HydrophobicContact CD2-CE 4Å; L219-M271 HydrophobicContact CG-CE 3.72Å; L219-M271 HydrophobicContact CG-SD 3.96Å; L219-L274 HydrophobicContact CD1-CB 3.52Å; L219-L274 HydrophobicContact CD1-CD1 4.5Å; L219-M278 HydrophobicContact CB-CE 4.06Å; L219-M278 HydrophobicContact CB-SD 3.67Å; L219-M278 HydrophobicContact CD1-SD 3.73Å; L219-M278 HydrophobicContact CG-SD 4.26Å; L219-L351 HydrophobicContact CD2-CB 4.24Å; L219-A355 HydrophobicContact CD2-CB 3.78Å; L219-A355 HydrophobicContact CG-CB 4.31Å |
| 220 | A | 98.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -48.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V216 Q217 R222 N223 K224 V229 W234 M278 | V216-A220 WeakPolarHBondContact O-CB 3.21Å; V216-A220 PolarHBondContact O-N 2.93Å; Q217-A220 PolarHBondContact O-N 2.72Å; A220-R222 VanDerWaalsContact C-N 3.29Å; A220-R222 PolarHBondContact O-N 2.9Å; A220-N223 CarbonylContact O-C 3.6Å; A220-N223 PolarHBondContact O-N 2.93Å; A220-K224 PolarHBondContact O-N 2.92Å; A220-K224 VanDerWaalsContact O-N 3.08Å; A220-V229 HydrophobicContact CB-CG1 4.33Å; A220-W234 HydrophobicContact CB-CG 4.3Å; A220-M278 HydrophobicContact CB-CE 4.46Å |
| 221 | Q | 97.6 | Very high | 97 | Very high | 122 Ų | 122 | 60.9 Ų | 60.9 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.1 | -35.1 | -179.3 | -73.2 | 172.9 | 35.8 | 0 | 0 | 113.2 | Q217 K224 | Q217-Q221 VanDerWaalsContact O-CB 3.28Å; Q217-Q221 WeakPolarHBondContact O-CB 3.42Å; Q217-Q221 WeakPolarHBondContact O-CG 3.15Å; Q217-Q221 PolarHBondContact O-N 2.41Å; Q221-K224 WeakPolarHBondContact O-CD 3.45Å; Q221-K224 WeakPolarHBondContact O-CG 3.31Å |
| 222 | R | 97.8 | Very high | 96.7 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -83.6 | -11.1 | -179.7 | -70.9 | -81.1 | -173.3 | 156 | -0.6 | 113.9 | L218 L219 A220 A355 C356 | L218-R222 HydrophobicContact CD1-CG 3.73Å; L218-R222 HydrophobicContact CG-CG 4.42Å; L218-R222 WeakPolarHBondContact O-CB 3.38Å; L218-R222 WeakPolarHBondContact O-CG 3.23Å; L218-R222 PolarHBondContact O-N 2.59Å; L219-R222 PolarHBondContact O-N 3.43Å; A220-R222 VanDerWaalsContact C-N 3.29Å; A220-R222 PolarHBondContact O-N 2.9Å; R222-A355 HydrophobicContact CB-CB 4.02Å; R222-A355 HydrophobicContact CG-CB 4.36Å; R222-C356 PolarHBondContact NH1-SG 3.4Å |
| 223 | N | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -119 | 14.6 | 178.9 | -69.6 | -76.4 | 0 | 0 | 0 | 113.6 | L219 A220 D225 I226 V229 L351 K354 | L219-N223 WeakPolarHBondContact O-CB 3.36Å; L219-N223 PolarHBondContact O-N 3.42Å; L219-N223 VanDerWaalsContact O-N 3.16Å; L219-N223 PolarHBondContact O-ND2 3.16Å; A220-N223 CarbonylContact O-C 3.6Å; A220-N223 PolarHBondContact O-N 2.93Å; N223-D225 WeakPolarHBondContact CA-OD1 3.32Å; N223-D225 PolarHBondContact O-N 3.27Å; N223-I226 HydrophobicContact CB-CD1 4.37Å; N223-I226 WeakPolarHBondContact O-CB 3.43Å; N223-I226 PolarHBondContact O-N 3.25Å; N223-V229 HydrophobicContact CB-CB 4.39Å; N223-V229 HydrophobicContact CB-CG1 4Å; N223-V229 HydrophobicContact CB-CG2 4.31Å; N223-L351 HydrophobicContact CB-CD2 3.75Å; N223-L351 PolarHBondContact ND2-O 2.72Å; N223-L351 WeakPolarHBondContact OD1-CD2 3.13Å; N223-K354 WeakPolarHBondContact OD1-CB 3.45Å; N223-K354 WeakPolarHBondContact OD1-CD 3.49Å; N223-K354 WeakPolarHBondContact OD1-CE 3.49Å; N223-K354 PolarHBondContact OD1-NZ 3.36Å |
| 224 | K | 96.7 | Very high | 96.5 | Very high | 155 Ų | 155 | 61 Ų | 61 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -7.1 | 179.1 | 70.8 | 179.5 | -178.4 | -179.8 | 0 | 115.9 | A220 Q221 I226 | A220-K224 PolarHBondContact O-N 2.92Å; A220-K224 VanDerWaalsContact O-N 3.08Å; Q221-K224 WeakPolarHBondContact O-CD 3.45Å; Q221-K224 WeakPolarHBondContact O-CG 3.31Å; K224-I226 VanDerWaalsContact C-N 3.3Å |
| 225 | D | 95.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.4 | 170.1 | 58.5 | -58.8 | 0 | 0 | 0 | 112.8 | N223 K354 | N223-D225 WeakPolarHBondContact CA-OD1 3.32Å; N223-D225 PolarHBondContact O-N 3.27Å; D225-K354 WeakPolarHBondContact OD1-CE 3.26Å; D225-K354 IonicContact OD1-NZ 2.93Å; D225-K354 PolarHBondContact OD1-NZ 1.88Å; D225-K354 IonicContact OD2-NZ 3.78Å; D225-K354 PolarHBondContact OD2-NZ 3.5Å |
| 226 | I | 96.1 | Very high | 96.4 | Very high | 30 Ų | 30 | 57 Ų | 57 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -92.8 | 114.1 | 170.8 | -55.5 | 175.8 | 0 | 0 | 0 | 107.4 | V168 N223 K224 E228 V229 S230 L351 | V168-I226 HydrophobicContact CG2-CG2 4.03Å; N223-I226 HydrophobicContact CB-CD1 4.37Å; N223-I226 WeakPolarHBondContact O-CB 3.43Å; N223-I226 PolarHBondContact O-N 3.25Å; K224-I226 VanDerWaalsContact C-N 3.3Å; I226-E228 VanDerWaalsContact C-N 3.25Å; I226-E228 HydrophobicContact CG2-CB 4.33Å; I226-E228 VanDerWaalsContact CG2-OE2 3.31Å; I226-E228 WeakPolarHBondContact CG2-OE2 3.5Å; I226-E228 PolarHBondContact O-N 3.2Å; I226-V229 HydrophobicContact CB-CB 4.24Å; I226-V229 HydrophobicContact CB-CG2 3.96Å; I226-V229 HydrophobicContact CD1-CG2 4.39Å; I226-V229 HydrophobicContact CG2-CG2 3.97Å; I226-V229 PolarHBondContact O-N 3.42Å; I226-S230 PolarHBondContact O-N 2.97Å; I226-L351 HydrophobicContact CD1-CD2 3.8Å |
| 227 | P | 94.6 | Very high | 96.4 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 40% | 0.403 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51.9 | -45.3 | -179 | -28.2 | 35.8 | 0 | 0 | 0 | 112.5 | V229 S230 E231 | P227-V229 PolarHBondContact O-N 3.38Å; P227-V229 VanDerWaalsContact O-N 3.16Å; P227-S230 WeakPolarHBondContact CA-OG 3.43Å; P227-S230 PolarHBondContact O-N 3.17Å; P227-S230 PolarHBondContact O-OG 3.31Å; P227-E231 WeakPolarHBondContact O-CB 3.32Å; P227-E231 WeakPolarHBondContact O-CG 3.42Å; P227-E231 PolarHBondContact O-N 3.02Å |
| 228 | E | 94.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -20.2 | -177.3 | -59.1 | 69 | -150.9 | 0 | 0 | 113.3 | P167 V168 I226 V232 I282 | P167-E228 VanDerWaalsContact CB-OE1 3.28Å; P167-E228 WeakPolarHBondContact CB-OE1 3.37Å; P167-E228 HydrophobicContact CG-CG 3.73Å; P167-E228 VanDerWaalsContact CG-OE1 3.28Å; P167-E228 WeakPolarHBondContact CG-OE1 3.37Å; V168-E228 HydrophobicContact CG2-CB 4.48Å; V168-E228 HydrophobicContact CG2-CG 4.35Å; I226-E228 VanDerWaalsContact C-N 3.25Å; I226-E228 HydrophobicContact CG2-CB 4.33Å; I226-E228 VanDerWaalsContact CG2-OE2 3.31Å; I226-E228 WeakPolarHBondContact CG2-OE2 3.5Å; I226-E228 PolarHBondContact O-N 3.2Å; E228-V232 WeakPolarHBondContact O-CG2 3.49Å; E228-I282 HydrophobicContact CB-CB 3.88Å; E228-I282 HydrophobicContact CB-CG2 4.28Å; E228-I282 VanDerWaalsContact O-CG2 3.28Å; E228-I282 WeakPolarHBondContact O-CG2 3.33Å |
| 229 | V | 96.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -88.8 | -36.6 | 169.5 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | A220 N223 I226 P227 W234 M278 I282 L351 | A220-V229 HydrophobicContact CB-CG1 4.33Å; N223-V229 HydrophobicContact CB-CB 4.39Å; N223-V229 HydrophobicContact CB-CG1 4Å; N223-V229 HydrophobicContact CB-CG2 4.31Å; I226-V229 HydrophobicContact CB-CB 4.24Å; I226-V229 HydrophobicContact CB-CG2 3.96Å; I226-V229 HydrophobicContact CD1-CG2 4.39Å; I226-V229 HydrophobicContact CG2-CG2 3.97Å; I226-V229 PolarHBondContact O-N 3.42Å; P227-V229 PolarHBondContact O-N 3.38Å; P227-V229 VanDerWaalsContact O-N 3.16Å; V229-W234 HydrophobicContact CG1-CZ2 4.33Å; V229-W234 PolarHBondContact O-NE1 2.97Å; V229-M278 HydrophobicContact CG1-CE 4.27Å; V229-I282 HydrophobicContact CG2-CD1 3.67Å; V229-I282 HydrophobicContact CG2-CG2 4.06Å; V229-L351 HydrophobicContact CG2-CD2 4.07Å |
| 230 | S | 95.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.9 | -27.5 | -174.9 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | I226 P227 | I226-S230 PolarHBondContact O-N 2.97Å; P227-S230 WeakPolarHBondContact CA-OG 3.43Å; P227-S230 PolarHBondContact O-N 3.17Å; P227-S230 PolarHBondContact O-OG 3.31Å |
| 231 | E | 92.8 | Very high | 96.2 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -84.3 | -14.4 | -178.9 | -69.7 | 179.2 | 173.8 | 0 | 0 | 113.1 | P227 | P227-E231 WeakPolarHBondContact O-CB 3.32Å; P227-E231 WeakPolarHBondContact O-CG 3.42Å; P227-E231 PolarHBondContact O-N 3.02Å |
| 232 | V | 92.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -88.6 | 127.3 | -173.8 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | E228 W234 | E228-V232 WeakPolarHBondContact O-CG2 3.49Å; V232-W234 VanDerWaalsContact C-N 3.34Å; V232-W234 HydrophobicContact CB-CD2 4.4Å; V232-W234 HydrophobicContact CB-CH2 4.39Å; V232-W234 HydrophobicContact CB-CZ2 3.74Å; V232-W234 HydrophobicContact CG1-CD2 3.78Å; V232-W234 HydrophobicContact CG1-CE3 3.98Å; V232-W234 HydrophobicContact CG1-CG 4.39Å; V232-W234 HydrophobicContact CG1-CH2 3.85Å; V232-W234 HydrophobicContact CG1-CZ2 3.61Å; V232-W234 HydrophobicContact CG1-CZ3 4.01Å; V232-W234 HydrophobicContact CG2-CZ2 4.36Å; V232-W234 PolarHBondContact O-N 3.44Å; V232-W234 PolarHBondContact O-NE1 3.01Å |
| 233 | P | 94.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 55.9 Ų | 55.9 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | trans | -81.2 | 77.4 | 178.9 | 33.5 | -34.9 | 0 | 0 | 0 | 111.4 | S235 | P233-S235 PolarHBondContact O-N 2.89Š| ||
| 234 | W | 97.2 | Very high | 94.8 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | trans | -54.6 | 128.5 | 179.6 | -57.4 | 102.6 | 0 | 0 | 0 | 112.8 | V216 A220 V229 V232 V248 G252 V254 M278 I282 | V216-W234 HydrophobicContact CG1-CB 3.9Å; V216-W234 HydrophobicContact CG1-CG 4.31Å; A220-W234 HydrophobicContact CB-CG 4.3Å; V229-W234 HydrophobicContact CG1-CZ2 4.33Å; V229-W234 PolarHBondContact O-NE1 2.97Å; V232-W234 VanDerWaalsContact C-N 3.34Å; V232-W234 HydrophobicContact CB-CD2 4.4Å; V232-W234 HydrophobicContact CB-CH2 4.39Å; V232-W234 HydrophobicContact CB-CZ2 3.74Å; V232-W234 HydrophobicContact CG1-CD2 3.78Å; V232-W234 HydrophobicContact CG1-CE3 3.98Å; V232-W234 HydrophobicContact CG1-CG 4.39Å; V232-W234 HydrophobicContact CG1-CH2 3.85Å; V232-W234 HydrophobicContact CG1-CZ2 3.61Å; V232-W234 HydrophobicContact CG1-CZ3 4.01Å; V232-W234 HydrophobicContact CG2-CZ2 4.36Å; V232-W234 PolarHBondContact O-N 3.44Å; V232-W234 PolarHBondContact O-NE1 3.01Å; W234-V248 HydrophobicContact CZ3-CG1 3.73Å; W234-G252 WeakPolarHBondContact CA-O 3.33Å; W234-V254 HydrophobicContact CE3-CG2 4.19Å; W234-M278 HydrophobicContact CD2-CE 3.92Å; W234-M278 HydrophobicContact CE3-CE 4.12Å; W234-M278 HydrophobicContact CE3-CG 4.4Å; W234-M278 HydrophobicContact CH2-CB 4.18Å; W234-M278 HydrophobicContact CH2-CE 3.83Å; W234-M278 HydrophobicContact CH2-CG 3.97Å; W234-M278 HydrophobicContact CZ2-CE 3.61Å; W234-M278 HydrophobicContact CZ3-CB 4.46Å; W234-M278 HydrophobicContact CZ3-CE 4.08Å; W234-M278 HydrophobicContact CZ3-CG 3.82Å; W234-I282 HydrophobicContact CH2-CG2 4.05Å; W234-I282 HydrophobicContact CZ2-CG2 4.06Å | ||
| 235 | S | 97.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 138.8 | 174 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | P233 G252 K253 V254 | P233-S235 PolarHBondContact O-N 2.89Å; S235-G252 PolarHBondContact N-O 3.1Å; S235-K253 WeakPolarHBondContact OG-CD 3.48Å; S235-K253 WeakPolarHBondContact OG-CE 3.35Å; S235-K253 PolarHBondContact OG-NZ 3.11Å; S235-V254 PolarHBondContact O-N 3.2Å |
| 236 | V | 98.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140 | -170.7 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | H209 V212 E213 V216 V238 V254 | H209-V236 PolarHBondContact CE1-O 3.47Å; H209-V236 PolarHBondContact NE2-O 3.16Å; V212-V236 HydrophobicContact CB-CG1 4.07Å; V212-V236 HydrophobicContact CG1-CG1 3.76Å; V212-V236 HydrophobicContact CG1-CG2 4.21Å; E213-V236 HydrophobicContact CB-CB 4.41Å; E213-V236 HydrophobicContact CB-CG2 4.42Å; V216-V236 HydrophobicContact CB-CG2 4Å; V216-V236 HydrophobicContact CG1-CG2 4.37Å; V216-V236 HydrophobicContact CG2-CG2 3.76Å; V236-V238 HydrophobicContact CG1-CG2 3.86Å; V236-V254 HydrophobicContact CG2-CB 4.15Å; V236-V254 HydrophobicContact CG2-CG1 4.45Å; V236-V254 HydrophobicContact CG2-CG2 4.48Å |
| 237 | H | 98.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 107.6 | 175.9 | -59.3 | -62.9 | 0 | 0 | 0 | 108 | L201 K253 V254 F255 M256 | L201-H237 HydrophobicContact CD2-CB 3.95Å; H237-K253 VanDerWaalsContact NE2-CD 3.32Å; H237-K253 WeakPolarHBondContact NE2-CD 3.46Å; H237-K253 PolarHBondContact NE2-NZ 3.25Å; H237-K253 VanDerWaalsContact NE2-NZ 3.13Å; H237-V254 PolarHBondContact N-O 3.41Å; H237-F255 HydrophobicContact CB-CD1 3.9Å; H237-F255 HydrophobicContact CB-CE1 4.02Å; H237-F255 HydrophobicContact CB-CG 4.44Å; H237-F255 WeakPolarHBondContact O-CA 2.85Å; H237-M256 PolarHBondContact O-N 3.02Å |
| 238 | V | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.5 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | L201 L202 H209 V212 V236 M256 T258 L261 | L201-V238 WeakPolarHBondContact CA-O 3.36Å; L202-V238 HydrophobicContact CB-CB 4.32Å; L202-V238 HydrophobicContact CD1-CB 4.44Å; L202-V238 HydrophobicContact CD1-CG1 3.8Å; L202-V238 HydrophobicContact CG-CG1 4.34Å; L202-V238 PolarHBondContact N-O 2.86Å; H209-V238 HydrophobicContact CB-CG2 4.32Å; V212-V238 HydrophobicContact CB-CG2 4.16Å; V212-V238 HydrophobicContact CG2-CG2 4.19Å; V236-V238 HydrophobicContact CG1-CG2 3.86Å; V238-M256 CarbonylContact C-O 3.55Å; V238-M256 VanDerWaalsContact CA-O 3.24Å; V238-M256 WeakPolarHBondContact CA-O 3.34Å; V238-M256 WeakPolarHBondContact CG1-O 3.49Å; V238-M256 HydrophobicContact CG2-CB 4.41Å; V238-T258 HydrophobicContact CG1-CG2 4.22Å; V238-L261 HydrophobicContact CG1-CD1 4.05Å |
| 239 | V | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.7 | -175.7 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | F197 L200 L201 S241 F255 M256 F257 T258 | F197-V239 HydrophobicContact CB-CG1 4.27Å; F197-V239 HydrophobicContact CB-CG2 4.12Å; F197-V239 HydrophobicContact CD1-CG1 4.02Å; F197-V239 HydrophobicContact CD2-CG2 4.08Å; F197-V239 HydrophobicContact CG-CG1 4.14Å; F197-V239 HydrophobicContact CG-CG2 4.02Å; L200-V239 HydrophobicContact CB-CG1 3.92Å; L200-V239 HydrophobicContact CD1-CG1 4.29Å; L201-V239 HydrophobicContact CD2-CG2 4.12Å; V239-S241 PolarHBondContact O-N 2.91Å; V239-F255 HydrophobicContact CG2-CD1 4.36Å; V239-M256 PolarHBondContact N-O 3.28Å; V239-F257 HydrophobicContact CB-CD1 4.24Å; V239-F257 HydrophobicContact CB-CD2 4.4Å; V239-F257 HydrophobicContact CB-CE1 4.39Å; V239-F257 HydrophobicContact CB-CG 4.21Å; V239-F257 HydrophobicContact CG1-CD1 4.22Å; V239-F257 HydrophobicContact CG1-CE1 4.14Å; V239-F257 HydrophobicContact CG2-CE2 4.32Å; V239-F257 HydrophobicContact CG2-CZ 4.43Å; V239-F257 WeakPolarHBondContact O-CA 3.28Å; V239-T258 PolarHBondContact O-N 3.33Å |
| 240 | E | 97.9 | Very high | 93.3 | Very high | 125 Ų | 125 | 43.5 Ų | 43.5 | 58% | 0.584 | 24% | 0.24 | S | C | * | . | trans | -73.4 | 91.4 | 172.7 | -170.5 | 168.1 | -153.9 | 0 | 0 | 110.1 | L200 L202 | L200-E240 PolarHBondContact O-N 2.82Å; L202-E240 HydrophobicContact CD2-CB 4Å; L202-E240 HydrophobicContact CG-CB 4.38Å | ||
| 241 | S | 94.7 | Very high | 93.1 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | trans | -155.3 | 135.1 | 179.3 | 167.4 | 0 | 0 | 0 | 0 | 110 | V239 Q243 T258 G259 | V239-S241 PolarHBondContact O-N 2.91Å; S241-Q243 PolarHBondContact O-N 2.78Å; S241-Q243 VanDerWaalsContact O-N 3.12Å; S241-Q243 PolarHBondContact OG-N 2.79Å; S241-T258 PolarHBondContact N-OG1 2.91Å; S241-T258 PolarHBondContact O-N 2.99Å; S241-T258 PolarHBondContact O-OG1 3.26Å; S241-T258 VanDerWaalsContact O-OG1 3.14Å; S241-G259 PolarHBondContact O-N 2.88Å | ||
| 242 | P | 91.9 | Very high | 93.1 | Very high | 123 Ų | 123 | 35.4 Ų | 35.4 | 80% | 0.799 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -71.9 | -0.7 | 179.7 | 32.5 | -37.3 | 0 | 0 | 0 | 113.4 | I244 | P242-I244 PolarHBondContact O-N 2.96Š|
| 243 | Q | 85.6 | Confident | 93.3 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 35% | 0.346 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -63.6 | 126.8 | 173.6 | -162.3 | -170.6 | 18.6 | 0 | 0 | 109.7 | S241 N245 F257 G259 | S241-Q243 PolarHBondContact O-N 2.78Å; S241-Q243 VanDerWaalsContact O-N 3.12Å; S241-Q243 PolarHBondContact OG-N 2.79Å; Q243-N245 HydrophobicContact CB-CB 4.31Å; Q243-N245 HydrophobicContact CG-CB 3.93Å; Q243-N245 PolarHBondContact O-N 2.75Å; Q243-N245 PolarHBondContact OE1-ND2 3.35Å; Q243-F257 HydrophobicContact CB-CD1 4.09Å; Q243-F257 VanDerWaalsContact O-CB 3.29Å; Q243-F257 WeakPolarHBondContact O-CB 3.36Å; Q243-F257 VanDerWaalsContact OE1-CE1 3.29Å; Q243-G259 WeakPolarHBondContact O-CA 3.45Å |
| 244 | I | 86.3 | Confident | 93.4 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 18% | 0.179 | 17% | 0.17 | C | C | . | . | trans | -68.8 | 99.2 | 165.9 | -59 | 175.5 | 0 | 0 | 0 | 105.7 | P242 M260 A263 L369 P382 | P242-I244 PolarHBondContact O-N 2.96Å; I244-M260 HydrophobicContact CG2-CE 3.54Å; I244-M260 HydrophobicContact CG2-SD 4.12Å; I244-A263 HydrophobicContact CD1-CB 4.24Å; I244-A263 HydrophobicContact CG1-CB 4.3Å; I244-A263 HydrophobicContact CG2-CB 4.14Å; I244-L369 HydrophobicContact CG2-CD2 4.47Å; I244-P382 HydrophobicContact CG2-CG 4.36Å; I244-P382 WeakPolarHBondContact O-CB 3.48Å; I244-P382 WeakPolarHBondContact O-CG 3.37Å | ||
| 245 | N | 87 | Confident | 93.4 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | trans | -156.9 | 145.6 | -174.9 | -167.6 | 1.4 | 0 | 0 | 0 | 111.6 | Q243 F257 M260 W384 | Q243-N245 HydrophobicContact CB-CB 4.31Å; Q243-N245 HydrophobicContact CG-CB 3.93Å; Q243-N245 PolarHBondContact O-N 2.75Å; Q243-N245 PolarHBondContact OE1-ND2 3.35Å; N245-F257 HydrophobicContact CB-CB 4.11Å; N245-F257 HydrophobicContact CB-CD1 3.92Å; N245-F257 HydrophobicContact CB-CD2 3.66Å; N245-F257 HydrophobicContact CB-CE1 4.27Å; N245-F257 HydrophobicContact CB-CE2 4.05Å; N245-F257 HydrophobicContact CB-CG 3.64Å; N245-F257 HydrophobicContact CB-CZ 4.35Å; N245-F257 WeakPolarHBondContact ND2-CZ 3.41Å; N245-F257 VanDerWaalsContact O-CB 3.25Å; N245-F257 WeakPolarHBondContact O-CB 3.33Å; N245-F257 WeakPolarHBondContact O-CD2 3.37Å; N245-F257 PolarHBondContact O-N 2.77Å; N245-M260 WeakPolarHBondContact O-CB 3.43Å; N245-W384 PolarHBondContact OD1-NE1 2.96Å | ||
| 246 | A | 90.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 141.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | F255 M256 M260 V273 E277 W384 | A246-F255 CarbonylContact C-O 3.58Å; A246-F255 VanDerWaalsContact CA-O 3.27Å; A246-F255 WeakPolarHBondContact CA-O 3.15Å; A246-M256 HydrophobicContact CB-CE 3.62Å; A246-M256 HydrophobicContact CB-SD 3.9Å; A246-M260 HydrophobicContact CB-CG 4.25Å; A246-V273 HydrophobicContact CB-CG1 4.39Å; A246-E277 HydrophobicContact CB-CG 4.41Å; A246-W384 PolarHBondContact O-NE1 2.83Å |
| 247 | F | 91.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 16% | 0.158 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 156.1 | 173.3 | 64.9 | -94.3 | 0 | 0 | 0 | 110.9 | F197 L249 F255 F257 | F197-F247 HydrophobicContact CE2-CE1 4.43Å; F197-F247 HydrophobicContact CE2-CZ 4.25Å; F247-L249 HydrophobicContact CD2-CD2 4.18Å; F247-L249 HydrophobicContact CD2-CG 4.29Å; F247-L249 HydrophobicContact CE2-CD1 4.49Å; F247-L249 HydrophobicContact CE2-CD2 4.16Å; F247-L249 HydrophobicContact CE2-CG 4.16Å; F247-F255 HydrophobicContact CD1-CB 3.98Å; F247-F255 HydrophobicContact CD2-CB 4.17Å; F247-F255 AromaticContact CD2-CD2 3.95Å; F247-F255 HydrophobicContact CD2-CD2 3.95Å; F247-F255 HydrophobicContact CD2-CG 4.38Å; F247-F255 HydrophobicContact CE1-CB 3.67Å; F247-F255 HydrophobicContact CE1-CG 4.11Å; F247-F255 HydrophobicContact CE2-CB 3.88Å; F247-F255 AromaticContact CE2-CD2 3.28Å; F247-F255 HydrophobicContact CE2-CD2 3.28Å; F247-F255 AromaticContact CE2-CE2 3.92Å; F247-F255 HydrophobicContact CE2-CE2 3.92Å; F247-F255 AromaticContact CE2-CG 3.7Å; F247-F255 HydrophobicContact CE2-CG 3.7Å; F247-F255 HydrophobicContact CG-CB 4.22Å; F247-F255 HydrophobicContact CZ-CB 3.63Å; F247-F255 HydrophobicContact CZ-CD1 4.16Å; F247-F255 AromaticContact CZ-CD2 3.63Å; F247-F255 HydrophobicContact CZ-CD2 3.63Å; F247-F255 HydrophobicContact CZ-CE2 4.3Å; F247-F255 AromaticContact CZ-CG 3.54Å; F247-F255 HydrophobicContact CZ-CG 3.54Å; F247-F255 PolarHBondContact N-O 3.37Å; F247-F255 PolarHBondContact O-N 3.01Å; F247-F257 HydrophobicContact CD1-CE2 4.13Å; F247-F257 AromaticContact CE1-CE2 3.83Å; F247-F257 HydrophobicContact CE1-CE2 3.83Å; F247-F257 HydrophobicContact CE1-CZ 4.19Å |
| 248 | V | 91.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 28 Ų | 28 | 9% | 0.091 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.7 | 179.4 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | W234 K253 V254 E277 A281 | W234-V248 HydrophobicContact CZ3-CG1 3.73Å; V248-K253 WeakPolarHBondContact CA-O 3.32Å; V248-V254 HydrophobicContact CG1-CG2 4.42Å; V248-V254 HydrophobicContact CG2-CB 4.17Å; V248-V254 HydrophobicContact CG2-CG1 3.93Å; V248-V254 HydrophobicContact CG2-CG2 3.96Å; V248-E277 HydrophobicContact CB-CB 3.95Å; V248-E277 HydrophobicContact CG2-CB 3.41Å; V248-E277 VanDerWaalsContact CG2-CB 3.41Å; V248-E277 HydrophobicContact CG2-CG 4.5Å; V248-A281 HydrophobicContact CB-CB 4.3Å; V248-A281 HydrophobicContact CG1-CB 3.55Å |
| 249 | L | 90.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 28.6 Ų | 28.6 | 12% | 0.115 | 16% | 0.156 | C | C | . | . | trans | -85.3 | 151.7 | 175.7 | -58.7 | 175.4 | 0 | 0 | 0 | 110.9 | T189 F247 N251 G252 K253 F255 | T189-L249 HydrophobicContact CG2-CD1 4.22Å; T189-L249 HydrophobicContact CG2-CD2 4.14Å; F247-L249 HydrophobicContact CD2-CD2 4.18Å; F247-L249 HydrophobicContact CD2-CG 4.29Å; F247-L249 HydrophobicContact CE2-CD1 4.49Å; F247-L249 HydrophobicContact CE2-CD2 4.16Å; F247-L249 HydrophobicContact CE2-CG 4.16Å; L249-N251 WeakPolarHBondContact CB-OD1 3.42Å; L249-N251 PolarHBondContact O-N 2.73Å; L249-G252 PolarHBondContact O-N 2.77Å; L249-K253 HydrophobicContact CB-CB 4.21Å; L249-K253 HydrophobicContact CD1-CB 4.26Å; L249-K253 PolarHBondContact N-O 2.98Å; L249-F255 HydrophobicContact CD1-CE2 3.95Å; L249-F255 HydrophobicContact CG-CE2 4.49Å | ||
| 250 | P | 89.6 | Confident | 92.7 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.5 | -176.6 | -22.9 | 29.5 | 0 | 0 | 0 | 115.8 | Y182 M183 A186 G252 | Y182-P250 HydrophobicContact CD1-CG 4.06Å; Y182-P250 HydrophobicContact CE1-CG 3.75Å; M183-P250 HydrophobicContact CE-CB 3.48Å; M183-P250 VanDerWaalsContact CE-CB 3.48Å; M183-P250 HydrophobicContact SD-CB 3.96Å; A186-P250 HydrophobicContact CB-CB 4.39Å; A186-P250 HydrophobicContact CB-CG 4.26Å; P250-G252 VanDerWaalsContact C-N 3.29Å; P250-G252 PolarHBondContact O-N 3.37Å |
| 251 | N | 91.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 24 Ų | 24 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 13 | 175.9 | 67.1 | -15 | 0 | 0 | 0 | 113.9 | A186 S190 L249 K253 | A186-N251 HydrophobicContact CB-CB 4.4Å; A186-N251 PolarHBondContact O-ND2 3.47Å; S190-N251 PolarHBondContact OG-ND2 2.52Å; L249-N251 WeakPolarHBondContact CB-OD1 3.42Å; L249-N251 PolarHBondContact O-N 2.73Å; N251-K253 WeakPolarHBondContact OD1-CB 3.44Å; N251-K253 VanDerWaalsContact OD1-CG 3.3Å; N251-K253 WeakPolarHBondContact OD1-CG 3.42Å |
| 252 | G | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 85.6 | 8.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | W234 S235 L249 P250 V254 | W234-G252 WeakPolarHBondContact CA-O 3.33Å; S235-G252 PolarHBondContact N-O 3.1Å; L249-G252 PolarHBondContact O-N 2.77Å; P250-G252 VanDerWaalsContact C-N 3.29Å; P250-G252 PolarHBondContact O-N 3.37Å; G252-V254 PolarHBondContact O-N 3.12Å |
| 253 | K | 95.8 | Very high | 92.5 | Very high | 47 Ų | 47 | 21.4 Ų | 21.4 | 20% | 0.204 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 108.2 | 179.2 | -67.6 | -79.6 | 169.9 | -160.8 | 0 | 110.2 | S235 H237 V248 L249 N251 F255 | S235-K253 WeakPolarHBondContact OG-CD 3.48Å; S235-K253 WeakPolarHBondContact OG-CE 3.35Å; S235-K253 PolarHBondContact OG-NZ 3.11Å; H237-K253 VanDerWaalsContact NE2-CD 3.32Å; H237-K253 WeakPolarHBondContact NE2-CD 3.46Å; H237-K253 PolarHBondContact NE2-NZ 3.25Å; H237-K253 VanDerWaalsContact NE2-NZ 3.13Å; V248-K253 WeakPolarHBondContact CA-O 3.32Å; L249-K253 HydrophobicContact CB-CB 4.21Å; L249-K253 HydrophobicContact CD1-CB 4.26Å; L249-K253 PolarHBondContact N-O 2.98Å; N251-K253 WeakPolarHBondContact OD1-CB 3.44Å; N251-K253 VanDerWaalsContact OD1-CG 3.3Å; N251-K253 WeakPolarHBondContact OD1-CG 3.42Å; K253-F255 HydrophobicContact CB-CE2 3.94Å |
| 254 | V | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.1 | 179.7 | -176 | 0 | 0 | 0 | 0 | 109.4 | V216 W234 S235 V236 H237 V248 G252 L274 | V216-V254 HydrophobicContact CG1-CG2 4.16Å; V216-V254 HydrophobicContact CG2-CG1 4.2Å; V216-V254 HydrophobicContact CG2-CG2 4.17Å; W234-V254 HydrophobicContact CE3-CG2 4.19Å; S235-V254 PolarHBondContact O-N 3.2Å; V236-V254 HydrophobicContact CG2-CB 4.15Å; V236-V254 HydrophobicContact CG2-CG1 4.45Å; V236-V254 HydrophobicContact CG2-CG2 4.48Å; H237-V254 PolarHBondContact N-O 3.41Å; V248-V254 HydrophobicContact CG1-CG2 4.42Å; V248-V254 HydrophobicContact CG2-CB 4.17Å; V248-V254 HydrophobicContact CG2-CG1 3.93Å; V248-V254 HydrophobicContact CG2-CG2 3.96Å; G252-V254 PolarHBondContact O-N 3.12Å; V254-L274 HydrophobicContact CG1-CD2 3.92Å |
| 255 | F | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.8 | 171.9 | -67.9 | -96.4 | 0 | 0 | 0 | 109.5 | H193 L194 F197 H237 V239 A246 F247 L249 K253 F257 | H193-F255 HydrophobicContact CB-CE1 3.89Å; H193-F255 HydrophobicContact CB-CE2 4.31Å; H193-F255 HydrophobicContact CB-CZ 3.66Å; L194-F255 HydrophobicContact CD2-CE1 4.19Å; L194-F255 HydrophobicContact CD2-CZ 4.24Å; L194-F255 HydrophobicContact CG-CZ 4.2Å; F197-F255 HydrophobicContact CD2-CD1 4Å; F197-F255 HydrophobicContact CD2-CE1 4.04Å; F197-F255 HydrophobicContact CE2-CD1 4.37Å; H237-F255 HydrophobicContact CB-CD1 3.9Å; H237-F255 HydrophobicContact CB-CE1 4.02Å; H237-F255 HydrophobicContact CB-CG 4.44Å; H237-F255 WeakPolarHBondContact O-CA 2.85Å; V239-F255 HydrophobicContact CG2-CD1 4.36Å; A246-F255 CarbonylContact C-O 3.58Å; A246-F255 VanDerWaalsContact CA-O 3.27Å; A246-F255 WeakPolarHBondContact CA-O 3.15Å; F247-F255 HydrophobicContact CD1-CB 3.98Å; F247-F255 HydrophobicContact CD2-CB 4.17Å; F247-F255 AromaticContact CD2-CD2 3.95Å; F247-F255 HydrophobicContact CD2-CD2 3.95Å; F247-F255 HydrophobicContact CD2-CG 4.38Å; F247-F255 HydrophobicContact CE1-CB 3.67Å; F247-F255 HydrophobicContact CE1-CG 4.11Å; F247-F255 HydrophobicContact CE2-CB 3.88Å; F247-F255 AromaticContact CE2-CD2 3.28Å; F247-F255 HydrophobicContact CE2-CD2 3.28Å; F247-F255 AromaticContact CE2-CE2 3.92Å; F247-F255 HydrophobicContact CE2-CE2 3.92Å; F247-F255 AromaticContact CE2-CG 3.7Å; F247-F255 HydrophobicContact CE2-CG 3.7Å; F247-F255 HydrophobicContact CG-CB 4.22Å; F247-F255 HydrophobicContact CZ-CB 3.63Å; F247-F255 HydrophobicContact CZ-CD1 4.16Å; F247-F255 AromaticContact CZ-CD2 3.63Å; F247-F255 HydrophobicContact CZ-CD2 3.63Å; F247-F255 HydrophobicContact CZ-CE2 4.3Å; F247-F255 AromaticContact CZ-CG 3.54Å; F247-F255 HydrophobicContact CZ-CG 3.54Å; F247-F255 PolarHBondContact N-O 3.37Å; F247-F255 PolarHBondContact O-N 3.01Å; L249-F255 HydrophobicContact CD1-CE2 3.95Å; L249-F255 HydrophobicContact CG-CE2 4.49Å; K253-F255 HydrophobicContact CB-CE2 3.94Å; F255-F257 HydrophobicContact CB-CE2 4.46Å |
| 256 | M | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 125.7 | -176.3 | 174 | 58.9 | 68.4 | 0 | 0 | 109.8 | V212 H237 V238 V239 A246 M260 L261 L270 V273 L274 | V212-M256 HydrophobicContact CG1-CB 4.1Å; V212-M256 HydrophobicContact CG1-CG 4.17Å; V212-M256 HydrophobicContact CG2-CG 3.89Å; H237-M256 PolarHBondContact O-N 3.02Å; V238-M256 CarbonylContact C-O 3.55Å; V238-M256 VanDerWaalsContact CA-O 3.24Å; V238-M256 WeakPolarHBondContact CA-O 3.34Å; V238-M256 WeakPolarHBondContact CG1-O 3.49Å; V238-M256 HydrophobicContact CG2-CB 4.41Å; V239-M256 PolarHBondContact N-O 3.28Å; A246-M256 HydrophobicContact CB-CE 3.62Å; A246-M256 HydrophobicContact CB-SD 3.9Å; M256-M260 HydrophobicContact CE-CG 4.22Å; M256-M260 HydrophobicContact SD-CB 3.7Å; M256-M260 HydrophobicContact SD-CG 3.52Å; M256-M260 VanDerWaalsContact SD-CG 3.52Å; M256-L261 HydrophobicContact CG-CD1 4.17Å; M256-L261 HydrophobicContact CG-CD2 3.71Å; M256-L261 HydrophobicContact CG-CG 3.87Å; M256-L261 HydrophobicContact SD-CD2 3.77Å; M256-L261 HydrophobicContact SD-CG 4.1Å; M256-L270 HydrophobicContact CE-CD1 3.87Å; M256-V273 HydrophobicContact CE-CG1 4.49Å; M256-L274 HydrophobicContact CE-CD2 3.62Å; M256-L274 HydrophobicContact CE-CG 4.11Å |
| 257 | F | 96 | Very high | 93.8 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 144 | -173.9 | -66.8 | -128 | 0 | 0 | 0 | 110.1 | F197 V239 Q243 N245 F247 F255 G259 M260 L261 | F197-F257 HydrophobicContact CE1-CE1 4.48Å; F197-F257 HydrophobicContact CE1-CZ 4.29Å; F197-F257 HydrophobicContact CE2-CZ 4.27Å; F197-F257 AromaticContact CZ-CZ 3.91Å; F197-F257 HydrophobicContact CZ-CZ 3.91Å; V239-F257 HydrophobicContact CB-CD1 4.24Å; V239-F257 HydrophobicContact CB-CD2 4.4Å; V239-F257 HydrophobicContact CB-CE1 4.39Å; V239-F257 HydrophobicContact CB-CG 4.21Å; V239-F257 HydrophobicContact CG1-CD1 4.22Å; V239-F257 HydrophobicContact CG1-CE1 4.14Å; V239-F257 HydrophobicContact CG2-CE2 4.32Å; V239-F257 HydrophobicContact CG2-CZ 4.43Å; V239-F257 WeakPolarHBondContact O-CA 3.28Å; Q243-F257 HydrophobicContact CB-CD1 4.09Å; Q243-F257 VanDerWaalsContact O-CB 3.29Å; Q243-F257 WeakPolarHBondContact O-CB 3.36Å; Q243-F257 VanDerWaalsContact OE1-CE1 3.29Å; N245-F257 HydrophobicContact CB-CB 4.11Å; N245-F257 HydrophobicContact CB-CD1 3.92Å; N245-F257 HydrophobicContact CB-CD2 3.66Å; N245-F257 HydrophobicContact CB-CE1 4.27Å; N245-F257 HydrophobicContact CB-CE2 4.05Å; N245-F257 HydrophobicContact CB-CG 3.64Å; N245-F257 HydrophobicContact CB-CZ 4.35Å; N245-F257 WeakPolarHBondContact ND2-CZ 3.41Å; N245-F257 VanDerWaalsContact O-CB 3.25Å; N245-F257 WeakPolarHBondContact O-CB 3.33Å; N245-F257 WeakPolarHBondContact O-CD2 3.37Å; N245-F257 PolarHBondContact O-N 2.77Å; F247-F257 HydrophobicContact CD1-CE2 4.13Å; F247-F257 AromaticContact CE1-CE2 3.83Å; F247-F257 HydrophobicContact CE1-CE2 3.83Å; F247-F257 HydrophobicContact CE1-CZ 4.19Å; F255-F257 HydrophobicContact CB-CE2 4.46Å; F257-G259 PolarHBondContact O-N 3.2Å; F257-G259 VanDerWaalsContact O-N 3.16Å; F257-M260 WeakPolarHBondContact O-CA 3.39Å; F257-M260 WeakPolarHBondContact O-CB 3.17Å; F257-M260 PolarHBondContact O-N 3.05Å; F257-L261 PolarHBondContact O-N 3.31Å |
| 258 | T | 96.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 28.4 Ų | 28.4 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -26.3 | -179.9 | 52.8 | 0 | 0 | 0 | 0 | 113 | L202 L208 V238 V239 S241 L261 G262 | L202-T258 HydrophobicContact CD1-CG2 3.84Å; L208-T258 HydrophobicContact CD1-CG2 4.11Å; V238-T258 HydrophobicContact CG1-CG2 4.22Å; V239-T258 PolarHBondContact O-N 3.33Å; S241-T258 PolarHBondContact N-OG1 2.91Å; S241-T258 PolarHBondContact O-N 2.99Å; S241-T258 PolarHBondContact O-OG1 3.26Å; S241-T258 VanDerWaalsContact O-OG1 3.14Å; T258-L261 PolarHBondContact O-N 3.5Å; T258-G262 PolarHBondContact O-N 3.07Å |
| 259 | G | 92.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -34.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S241 Q243 F257 G262 A263 | S241-G259 PolarHBondContact O-N 2.88Å; Q243-G259 WeakPolarHBondContact O-CA 3.45Å; F257-G259 PolarHBondContact O-N 3.2Å; F257-G259 VanDerWaalsContact O-N 3.16Å; G259-G262 PolarHBondContact O-N 3.37Å; G259-A263 PolarHBondContact O-N 2.35Å |
| 260 | M | 92.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.7 | -40.8 | 171.8 | 178.1 | 58.5 | 71.9 | 0 | 0 | 111.4 | I244 N245 A246 M256 F257 G262 A263 V264 V273 F365 W384 | I244-M260 HydrophobicContact CG2-CE 3.54Å; I244-M260 HydrophobicContact CG2-SD 4.12Å; N245-M260 WeakPolarHBondContact O-CB 3.43Å; A246-M260 HydrophobicContact CB-CG 4.25Å; M256-M260 HydrophobicContact CE-CG 4.22Å; M256-M260 HydrophobicContact SD-CB 3.7Å; M256-M260 HydrophobicContact SD-CG 3.52Å; M256-M260 VanDerWaalsContact SD-CG 3.52Å; F257-M260 WeakPolarHBondContact O-CA 3.39Å; F257-M260 WeakPolarHBondContact O-CB 3.17Å; F257-M260 PolarHBondContact O-N 3.05Å; M260-G262 PolarHBondContact O-N 2.97Å; M260-A263 WeakPolarHBondContact O-CB 3.28Å; M260-A263 PolarHBondContact O-N 2.91Å; M260-A263 HydrophobicContact SD-CB 4.45Å; M260-V264 PolarHBondContact O-N 3.48Å; M260-V264 VanDerWaalsContact O-N 3.16Å; M260-V264 HydrophobicContact SD-CG1 4.46Å; M260-V273 HydrophobicContact CG-CG1 4.43Å; M260-V273 HydrophobicContact SD-CG1 4.26Å; M260-F365 HydrophobicContact CE-CZ 4.45Å; M260-F365 HydrophobicContact SD-CE2 4.25Å; M260-F365 HydrophobicContact SD-CZ 3.83Å; M260-W384 HydrophobicContact CE-CZ2 3.69Å |
| 261 | L | 95.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 14% | 0.141 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -25.4 | 174.6 | -60.5 | -179.7 | 0 | 0 | 0 | 112.7 | L208 V212 V238 M256 F257 T258 L270 | L208-L261 HydrophobicContact CB-CD1 3.97Å; L208-L261 HydrophobicContact CD1-CD1 4.4Å; L208-L261 HydrophobicContact CD2-CD1 4.41Å; L208-L261 HydrophobicContact CG-CD1 4.5Å; V212-L261 HydrophobicContact CG2-CD1 4.01Å; V212-L261 HydrophobicContact CG2-CD2 3.69Å; V212-L261 HydrophobicContact CG2-CG 4.47Å; V238-L261 HydrophobicContact CG1-CD1 4.05Å; M256-L261 HydrophobicContact CG-CD1 4.17Å; M256-L261 HydrophobicContact CG-CD2 3.71Å; M256-L261 HydrophobicContact CG-CG 3.87Å; M256-L261 HydrophobicContact SD-CD2 3.77Å; M256-L261 HydrophobicContact SD-CG 4.1Å; F257-L261 PolarHBondContact O-N 3.31Å; T258-L261 PolarHBondContact O-N 3.5Å; L261-L270 HydrophobicContact CD2-CD1 3.77Å; L261-L270 HydrophobicContact CD2-CD2 4.34Å |
| 262 | G | 93.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 25.3 Ų | 25.3 | 72% | 0.722 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T258 G259 M260 | T258-G262 PolarHBondContact O-N 3.07Å; G259-G262 PolarHBondContact O-N 3.37Å; M260-G262 PolarHBondContact O-N 2.97Å |
| 263 | A | 90.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 21% | 0.207 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -28.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I244 G259 M260 | I244-A263 HydrophobicContact CD1-CB 4.24Å; I244-A263 HydrophobicContact CG1-CB 4.3Å; I244-A263 HydrophobicContact CG2-CB 4.14Å; G259-A263 PolarHBondContact O-N 2.35Å; M260-A263 WeakPolarHBondContact O-CB 3.28Å; M260-A263 PolarHBondContact O-N 2.91Å; M260-A263 HydrophobicContact SD-CB 4.45Å |
| 264 | V | 94.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 23.3 Ų | 23.3 | 13% | 0.127 | 16% | 0.158 | C | C | . | . | trans | -78.4 | 138.9 | 171.6 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | M260 Q269 L270 V273 F365 | M260-V264 PolarHBondContact O-N 3.48Å; M260-V264 VanDerWaalsContact O-N 3.16Å; M260-V264 HydrophobicContact SD-CG1 4.46Å; V264-Q269 HydrophobicContact CB-CB 4Å; V264-Q269 HydrophobicContact CG1-CB 4.05Å; V264-L270 HydrophobicContact CG2-CB 4.32Å; V264-V273 HydrophobicContact CG1-CG2 4.13Å; V264-F365 HydrophobicContact CG1-CD2 4.03Å; V264-F365 HydrophobicContact CG1-CE2 3.66Å; V264-F365 HydrophobicContact CG1-CZ 4.45Å | ||
| 265 | A | 92.7 | Very high | 95.5 | Very high | 69 Ų | 69 | 23.3 Ų | 23.3 | 57% | 0.57 | 16% | 0.158 | S | C | * | . | trans | -86.2 | -24.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 266 | D | 94.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 23.5 Ų | 23.5 | 36% | 0.358 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -158.7 | 176.2 | -172.3 | 56.4 | 55.1 | 0 | 0 | 0 | 112 | D268 Q269 L270 | D266-D268 VanDerWaalsContact C-N 3.31Å; D266-D268 PolarHBondContact O-N 3.07Å; D266-D268 WeakPolarHBondContact OD1-CA 3.25Å; D266-D268 WeakPolarHBondContact OD1-CB 3.4Å; D266-D268 PolarHBondContact OD1-N 3.11Å; D266-Q269 WeakPolarHBondContact OD1-CG 3.24Å; D266-Q269 PolarHBondContact OD1-N 2.81Å; D266-L270 PolarHBondContact O-N 2.75Å |
| 267 | L | 96.2 | Very high | 95.3 | Very high | 89 Ų | 89 | 23.9 Ų | 23.9 | 47% | 0.466 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.4 | -29.1 | 178.5 | -178.4 | 60.4 | 0 | 0 | 0 | 112.5 | A215 L270 M271 | A215-L267 HydrophobicContact CB-CD1 4.24Å; L267-L270 HydrophobicContact CD1-CD2 4.13Å; L267-L270 PolarHBondContact O-N 3.39Å; L267-M271 HydrophobicContact CD1-CG 4.1Å; L267-M271 HydrophobicContact CG-CG 4.18Å; L267-M271 WeakPolarHBondContact O-CB 3.48Å; L267-M271 WeakPolarHBondContact O-CG 3.21Å; L267-M271 PolarHBondContact O-N 3.09Å |
| 268 | D | 97.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 23.7 Ų | 23.7 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.5 | -40.5 | -180 | -66.5 | -54.2 | 0 | 0 | 0 | 110.7 | D266 M271 I272 A357 D358 A361 | D266-D268 VanDerWaalsContact C-N 3.31Å; D266-D268 PolarHBondContact O-N 3.07Å; D266-D268 WeakPolarHBondContact OD1-CA 3.25Å; D266-D268 WeakPolarHBondContact OD1-CB 3.4Å; D266-D268 PolarHBondContact OD1-N 3.11Å; D268-M271 PolarHBondContact O-N 3.48Å; D268-I272 WeakPolarHBondContact O-CD1 3.38Å; D268-I272 VanDerWaalsContact O-CG1 3.24Å; D268-I272 WeakPolarHBondContact O-CG1 3.41Å; D268-I272 PolarHBondContact O-N 3.35Å; D268-I272 VanDerWaalsContact O-N 3.13Å; D268-A357 WeakPolarHBondContact OD1-CA 3.24Å; D268-D358 HydrophobicContact CB-CB 4.08Å; D268-D358 VanDerWaalsContact CG-N 3.27Å; D268-D358 PolarHBondContact OD1-N 2.95Å; D268-A361 HydrophobicContact CB-CB 4.08Å |
| 269 | Q | 96.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 170.4 | -66.9 | -167.1 | -14.9 | 0 | 0 | 112.5 | V264 D266 M271 I272 V273 A361 F365 | V264-Q269 HydrophobicContact CB-CB 4Å; V264-Q269 HydrophobicContact CG1-CB 4.05Å; D266-Q269 WeakPolarHBondContact OD1-CG 3.24Å; D266-Q269 PolarHBondContact OD1-N 2.81Å; Q269-M271 VanDerWaalsContact C-N 3.29Å; Q269-M271 PolarHBondContact O-N 2.95Å; Q269-I272 PolarHBondContact O-N 3.13Å; Q269-I272 VanDerWaalsContact O-N 3.11Å; Q269-V273 WeakPolarHBondContact O-CG2 3.46Å; Q269-V273 PolarHBondContact O-N 3.25Å; Q269-A361 HydrophobicContact CG-CB 3.76Å; Q269-F365 HydrophobicContact CG-CB 4.22Å |
| 270 | L | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 176.4 | 178.9 | 58.4 | 0 | 0 | 0 | 111.8 | M211 V212 A215 M256 L261 V264 D266 L267 I272 V273 L274 | M211-L270 HydrophobicContact CG-CD2 4.15Å; M211-L270 HydrophobicContact SD-CD2 4.14Å; V212-L270 HydrophobicContact CG2-CD2 4.37Å; A215-L270 HydrophobicContact CB-CD2 4.43Å; M256-L270 HydrophobicContact CE-CD1 3.87Å; L261-L270 HydrophobicContact CD2-CD1 3.77Å; L261-L270 HydrophobicContact CD2-CD2 4.34Å; V264-L270 HydrophobicContact CG2-CB 4.32Å; D266-L270 PolarHBondContact O-N 2.75Å; L267-L270 HydrophobicContact CD1-CD2 4.13Å; L267-L270 PolarHBondContact O-N 3.39Å; L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 PolarHBondContact O-N 2.95Å; L270-V273 PolarHBondContact O-N 2.92Å; L270-L274 HydrophobicContact CD1-CD1 3.88Å; L270-L274 HydrophobicContact CD1-CG 4.1Å; L270-L274 HydrophobicContact CG-CD1 3.88Å; L270-L274 WeakPolarHBondContact O-CB 3.38Å; L270-L274 WeakPolarHBondContact O-CG 3.34Å; L270-L274 PolarHBondContact O-N 3.11Å |
| 271 | M | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -30.2 | 177.2 | -69.9 | -76.6 | -74 | 0 | 0 | 112.9 | A215 L218 L219 L267 D268 Q269 G275 A355 A357 | A215-M271 HydrophobicContact CB-SD 3.61Å; L218-M271 HydrophobicContact CB-CE 4.25Å; L218-M271 HydrophobicContact CD2-CE 3.71Å; L218-M271 HydrophobicContact CG-CE 3.92Å; L219-M271 HydrophobicContact CD1-CE 4.47Å; L219-M271 HydrophobicContact CD1-SD 4.1Å; L219-M271 HydrophobicContact CD2-CE 4Å; L219-M271 HydrophobicContact CG-CE 3.72Å; L219-M271 HydrophobicContact CG-SD 3.96Å; L267-M271 HydrophobicContact CD1-CG 4.1Å; L267-M271 HydrophobicContact CG-CG 4.18Å; L267-M271 WeakPolarHBondContact O-CB 3.48Å; L267-M271 WeakPolarHBondContact O-CG 3.21Å; L267-M271 PolarHBondContact O-N 3.09Å; D268-M271 PolarHBondContact O-N 3.48Å; Q269-M271 VanDerWaalsContact C-N 3.29Å; Q269-M271 PolarHBondContact O-N 2.95Å; M271-G275 PolarHBondContact O-N 3.01Å; M271-A355 HydrophobicContact CE-CB 3.42Å; M271-A355 VanDerWaalsContact CE-CB 3.42Å; M271-A357 HydrophobicContact CB-CB 3.55Å; M271-A357 HydrophobicContact CG-CB 4.12Å |
| 272 | I | 96.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.8 | -40.1 | 175.8 | -67.7 | 164.2 | 0 | 0 | 0 | 111.2 | D268 Q269 L270 G275 H276 A352 A361 G362 | D268-I272 WeakPolarHBondContact O-CD1 3.38Å; D268-I272 VanDerWaalsContact O-CG1 3.24Å; D268-I272 WeakPolarHBondContact O-CG1 3.41Å; D268-I272 PolarHBondContact O-N 3.35Å; D268-I272 VanDerWaalsContact O-N 3.13Å; Q269-I272 PolarHBondContact O-N 3.13Å; Q269-I272 VanDerWaalsContact O-N 3.11Å; L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 PolarHBondContact O-N 2.95Å; I272-G275 PolarHBondContact O-N 2.9Å; I272-H276 PolarHBondContact O-N 2.99Å; I272-A352 HydrophobicContact CG1-CB 3.86Å; I272-A361 HydrophobicContact CD1-CB 4.28Å; I272-G362 VanDerWaalsContact CD1-N 3.3Å |
| 273 | V | 94.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.2 | -51 | 173 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | A246 M256 M260 V264 Q269 L270 G275 H276 E277 F365 | A246-V273 HydrophobicContact CB-CG1 4.39Å; M256-V273 HydrophobicContact CE-CG1 4.49Å; M260-V273 HydrophobicContact CG-CG1 4.43Å; M260-V273 HydrophobicContact SD-CG1 4.26Å; V264-V273 HydrophobicContact CG1-CG2 4.13Å; Q269-V273 WeakPolarHBondContact O-CG2 3.46Å; Q269-V273 PolarHBondContact O-N 3.25Å; L270-V273 PolarHBondContact O-N 2.92Å; V273-G275 VanDerWaalsContact C-N 3.3Å; V273-G275 PolarHBondContact O-N 3.02Å; V273-H276 WeakPolarHBondContact O-CB 3.46Å; V273-H276 PolarHBondContact O-N 3.18Å; V273-H276 VanDerWaalsContact O-N 3.12Å; V273-E277 PolarHBondContact O-N 2.82Å; V273-F365 HydrophobicContact CG2-CD1 3.98Å; V273-F365 HydrophobicContact CG2-CD2 4.48Å; V273-F365 HydrophobicContact CG2-CE1 3.51Å; V273-F365 HydrophobicContact CG2-CE2 4.06Å; V273-F365 HydrophobicContact CG2-CG 4.44Å; V273-F365 HydrophobicContact CG2-CZ 3.54Å |
| 274 | L | 97.6 | Very high | 95 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -37.6 | 176.4 | -71.1 | 169.4 | 0 | 0 | 0 | 112.1 | V212 A215 V216 L219 V254 M256 L270 H276 E277 M278 | V212-L274 HydrophobicContact CG1-CD1 4.26Å; V212-L274 HydrophobicContact CG1-CD2 4.24Å; A215-L274 HydrophobicContact CB-CD1 3.53Å; V216-L274 HydrophobicContact CG2-CD1 3.99Å; V216-L274 HydrophobicContact CG2-CD2 3.93Å; V216-L274 HydrophobicContact CG2-CG 4.46Å; L219-L274 HydrophobicContact CD1-CB 3.52Å; L219-L274 HydrophobicContact CD1-CD1 4.5Å; V254-L274 HydrophobicContact CG1-CD2 3.92Å; M256-L274 HydrophobicContact CE-CD2 3.62Å; M256-L274 HydrophobicContact CE-CG 4.11Å; L270-L274 HydrophobicContact CD1-CD1 3.88Å; L270-L274 HydrophobicContact CD1-CG 4.1Å; L270-L274 HydrophobicContact CG-CD1 3.88Å; L270-L274 WeakPolarHBondContact O-CB 3.38Å; L270-L274 WeakPolarHBondContact O-CG 3.34Å; L270-L274 PolarHBondContact O-N 3.11Å; L274-H276 PolarHBondContact O-N 3.31Å; L274-E277 PolarHBondContact O-N 2.62Å; L274-M278 VanDerWaalsContact O-CB 3.31Å; L274-M278 WeakPolarHBondContact O-CB 3.23Å; L274-M278 WeakPolarHBondContact O-CG 3.27Å; L274-M278 PolarHBondContact O-N 3.48Å |
| 275 | G | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M271 I272 V273 A279 G348 | M271-G275 PolarHBondContact O-N 3.01Å; I272-G275 PolarHBondContact O-N 2.9Å; V273-G275 VanDerWaalsContact C-N 3.3Å; V273-G275 PolarHBondContact O-N 3.02Å; G275-A279 WeakPolarHBondContact O-CB 3.38Å; G275-A279 PolarHBondContact O-N 3.29Å; G275-G348 WeakPolarHBondContact O-CA 3.34Å |
| 276 | H | 95.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.2 | -179.7 | 59.5 | 0 | 0 | 0 | 112.2 | I272 V273 L274 A279 H280 E341 A344 D345 W384 R394 | I272-H276 PolarHBondContact O-N 2.99Å; V273-H276 WeakPolarHBondContact O-CB 3.46Å; V273-H276 PolarHBondContact O-N 3.18Å; V273-H276 VanDerWaalsContact O-N 3.12Å; L274-H276 PolarHBondContact O-N 3.31Å; H276-A279 WeakPolarHBondContact O-CB 3.26Å; H276-A279 PolarHBondContact O-N 3.14Å; H276-H280 AromaticContact CD2-NE2 3.43Å; H276-H280 PolarHBondContact CD2-NE2 3.36Å; H276-H280 AromaticContact CE1-CD2 3.76Å; H276-H280 AromaticContact CE1-NE2 2.59Å; H276-H280 PolarHBondContact CE1-NE2 2.87Å; H276-H280 AromaticContact ND1-NE2 3.66Å; H276-H280 AromaticContact NE2-CD2 3.71Å; H276-H280 AromaticContact NE2-NE2 2.41Å; H276-H280 PolarHBondContact NE2-NE2 2.92Å; H276-H280 PolarHBondContact O-CD2 2.99Å; H276-H280 PolarHBondContact O-N 3.16Å; H276-H280 VanDerWaalsContact O-N 3.1Å; H276-E341 IonicContact CE1-OE2 2.77Å; H276-E341 PolarHBondContact CE1-OE2 3.05Å; H276-E341 IonicContact NE2-OE2 3.51Å; H276-E341 PolarHBondContact NE2-OE2 2.89Å; H276-A344 VanDerWaalsContact CE1-CB 3.49Å; H276-A344 WeakPolarHBondContact CE1-CB 3.47Å; H276-A344 VanDerWaalsContact ND1-C 3.3Å; H276-A344 WeakPolarHBondContact ND1-CB 3.31Å; H276-A344 PolarHBondContact ND1-O 3.31Å; H276-D345 IonicContact ND1-OD1 3.66Å; H276-W384 AromaticContact CD2-CZ3 3.84Å; H276-W384 AromaticContact NE2-CZ3 3.9Å; H276-R394 PolarHBondContact CE1-NH2 2.88Å; H276-R394 PolarHBondContact NE2-NH2 3.44Å |
| 277 | E | 94.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 4% | 0.037 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 178.1 | -59.7 | -50.7 | 126.2 | 0 | 0 | 112.4 | A246 V248 V273 L274 A279 H280 A281 | A246-E277 HydrophobicContact CB-CG 4.41Å; V248-E277 HydrophobicContact CB-CB 3.95Å; V248-E277 HydrophobicContact CG2-CB 3.41Å; V248-E277 VanDerWaalsContact CG2-CB 3.41Å; V248-E277 HydrophobicContact CG2-CG 4.5Å; V273-E277 PolarHBondContact O-N 2.82Å; L274-E277 PolarHBondContact O-N 2.62Å; E277-A279 VanDerWaalsContact C-N 3.26Å; E277-A279 PolarHBondContact O-N 2.94Å; E277-H280 PolarHBondContact O-N 2.9Å; E277-A281 PolarHBondContact O-N 3.45Å |
| 278 | M | 96.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61 | -36.3 | 171.9 | -72.5 | 177.1 | 75.3 | 0 | 0 | 111.6 | L219 A220 V229 W234 L274 A281 I282 L351 | L219-M278 HydrophobicContact CB-CE 4.06Å; L219-M278 HydrophobicContact CB-SD 3.67Å; L219-M278 HydrophobicContact CD1-SD 3.73Å; L219-M278 HydrophobicContact CG-SD 4.26Å; A220-M278 HydrophobicContact CB-CE 4.46Å; V229-M278 HydrophobicContact CG1-CE 4.27Å; W234-M278 HydrophobicContact CD2-CE 3.92Å; W234-M278 HydrophobicContact CE3-CE 4.12Å; W234-M278 HydrophobicContact CE3-CG 4.4Å; W234-M278 HydrophobicContact CH2-CB 4.18Å; W234-M278 HydrophobicContact CH2-CE 3.83Å; W234-M278 HydrophobicContact CH2-CG 3.97Å; W234-M278 HydrophobicContact CZ2-CE 3.61Å; W234-M278 HydrophobicContact CZ3-CB 4.46Å; W234-M278 HydrophobicContact CZ3-CE 4.08Å; W234-M278 HydrophobicContact CZ3-CG 3.82Å; L274-M278 VanDerWaalsContact O-CB 3.31Å; L274-M278 WeakPolarHBondContact O-CB 3.23Å; L274-M278 WeakPolarHBondContact O-CG 3.27Å; L274-M278 PolarHBondContact O-N 3.48Å; M278-A281 PolarHBondContact O-N 3.2Å; M278-I282 WeakPolarHBondContact O-CG1 3.45Å; M278-I282 WeakPolarHBondContact O-CG2 3.49Å; M278-I282 PolarHBondContact O-N 3.03Å; M278-L351 HydrophobicContact CB-CD1 4.05Å |
| 279 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G275 H276 E277 A281 I282 L283 A344 V347 L351 | G275-A279 WeakPolarHBondContact O-CB 3.38Å; G275-A279 PolarHBondContact O-N 3.29Å; H276-A279 WeakPolarHBondContact O-CB 3.26Å; H276-A279 PolarHBondContact O-N 3.14Å; E277-A279 VanDerWaalsContact C-N 3.26Å; E277-A279 PolarHBondContact O-N 2.94Å; A279-A281 PolarHBondContact O-N 2.92Å; A279-I282 PolarHBondContact O-N 3.2Å; A279-L283 HydrophobicContact CB-CD1 4.31Å; A279-L283 VanDerWaalsContact O-CB 3.25Å; A279-L283 WeakPolarHBondContact O-CB 3.41Å; A279-L283 WeakPolarHBondContact O-CD1 3.21Å; A279-L283 WeakPolarHBondContact O-CG 3.21Å; A279-L283 PolarHBondContact O-N 3.45Å; A279-A344 HydrophobicContact CB-CB 4.09Å; A279-V347 HydrophobicContact CB-CB 3.9Å; A279-V347 HydrophobicContact CB-CG1 3.78Å; A279-L351 HydrophobicContact CB-CD1 4.5Å |
| 280 | H | 93.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 10.3 Ų | 10.3 | 13% | 0.13 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.8 | -38.9 | 175.1 | -80.7 | -62.2 | 0 | 0 | 0 | 113.1 | H276 E277 H285 E341 H388 | H276-H280 AromaticContact CD2-NE2 3.43Å; H276-H280 PolarHBondContact CD2-NE2 3.36Å; H276-H280 AromaticContact CE1-CD2 3.76Å; H276-H280 AromaticContact CE1-NE2 2.59Å; H276-H280 PolarHBondContact CE1-NE2 2.87Å; H276-H280 AromaticContact ND1-NE2 3.66Å; H276-H280 AromaticContact NE2-CD2 3.71Å; H276-H280 AromaticContact NE2-NE2 2.41Å; H276-H280 PolarHBondContact NE2-NE2 2.92Å; H276-H280 PolarHBondContact O-CD2 2.99Å; H276-H280 PolarHBondContact O-N 3.16Å; H276-H280 VanDerWaalsContact O-N 3.1Å; E277-H280 PolarHBondContact O-N 2.9Å; H280-H285 AromaticContact CE1-ND1 3.76Å; H280-H285 AromaticContact CG-ND1 3.9Å; H280-H285 AromaticContact ND1-CE1 3.98Å; H280-H285 AromaticContact ND1-CG 3.72Å; H280-H285 AromaticContact ND1-ND1 2.91Å; H280-H285 PolarHBondContact ND1-ND1 3.06Å; H280-H285 PolarHBondContact O-N 3.47Å; H280-H285 VanDerWaalsContact O-N 3.12Å; H280-E341 IonicContact CE1-OE1 3.87Å; H280-E341 PolarHBondContact CE1-OE1 3.5Å; H280-E341 IonicContact CE1-OE2 2.35Å; H280-E341 PolarHBondContact CE1-OE2 3.27Å; H280-E341 IonicContact NE2-OE1 3.95Å; H280-E341 IonicContact NE2-OE2 3.6Å; H280-E341 PolarHBondContact NE2-OE2 3.03Å; H280-H388 AromaticContact NE2-CE1 3.48Å; H280-H388 PolarHBondContact NE2-CE1 3.42Å |
| 281 | A | 91.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 10.3 Ų | 10.3 | 5% | 0.05 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -71.2 | -48.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V248 E277 M278 A279 L283 D284 | V248-A281 HydrophobicContact CB-CB 4.3Å; V248-A281 HydrophobicContact CG1-CB 3.55Å; E277-A281 PolarHBondContact O-N 3.45Å; M278-A281 PolarHBondContact O-N 3.2Å; A279-A281 PolarHBondContact O-N 2.92Å; A281-L283 VanDerWaalsContact C-N 3.29Å; A281-L283 PolarHBondContact O-N 3.41Å; A281-D284 PolarHBondContact O-N 3.35Å |
| 282 | I | 93.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.015 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -73.6 | -19.3 | -178.2 | 70.2 | -178 | 0 | 0 | 0 | 113.7 | V168 E228 V229 W234 M278 A279 D284 V347 L351 | V168-I282 HydrophobicContact CG2-CD1 4.38Å; E228-I282 HydrophobicContact CB-CB 3.88Å; E228-I282 HydrophobicContact CB-CG2 4.28Å; E228-I282 VanDerWaalsContact O-CG2 3.28Å; E228-I282 WeakPolarHBondContact O-CG2 3.33Å; V229-I282 HydrophobicContact CG2-CD1 3.67Å; V229-I282 HydrophobicContact CG2-CG2 4.06Å; W234-I282 HydrophobicContact CH2-CG2 4.05Å; W234-I282 HydrophobicContact CZ2-CG2 4.06Å; M278-I282 WeakPolarHBondContact O-CG1 3.45Å; M278-I282 WeakPolarHBondContact O-CG2 3.49Å; M278-I282 PolarHBondContact O-N 3.03Å; A279-I282 PolarHBondContact O-N 3.2Å; I282-D284 VanDerWaalsContact C-N 3.33Å; I282-V347 HydrophobicContact CD1-CG1 4.15Å; I282-L351 HydrophobicContact CD1-CD1 4.13Å; I282-L351 HydrophobicContact CD1-CD2 4.47Å |
| 283 | L | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.9 | 174.6 | -62.3 | 168.6 | 0 | 0 | 0 | 113 | S166 V168 T169 R173 A279 A281 H285 E343 V347 | S166-L283 WeakPolarHBondContact OG-CD2 3.48Å; V168-L283 HydrophobicContact CB-CD2 3.9Å; V168-L283 HydrophobicContact CG1-CD2 4.46Å; V168-L283 HydrophobicContact CG2-CD2 4.35Å; T169-L283 HydrophobicContact CG2-CD2 3.9Å; R173-L283 VanDerWaalsContact NH1-C 3.29Å; R173-L283 PolarHBondContact NH1-O 3.23Å; A279-L283 HydrophobicContact CB-CD1 4.31Å; A279-L283 VanDerWaalsContact O-CB 3.25Å; A279-L283 WeakPolarHBondContact O-CB 3.41Å; A279-L283 WeakPolarHBondContact O-CD1 3.21Å; A279-L283 WeakPolarHBondContact O-CG 3.21Å; A279-L283 PolarHBondContact O-N 3.45Å; A281-L283 VanDerWaalsContact C-N 3.29Å; A281-L283 PolarHBondContact O-N 3.41Å; L283-H285 VanDerWaalsContact CB-CD2 3.46Å; L283-H285 WeakPolarHBondContact CB-CD2 3.3Å; L283-H285 WeakPolarHBondContact CB-NE2 3.09Å; L283-H285 VanDerWaalsContact CD1-CE1 3.43Å; L283-H285 WeakPolarHBondContact CD1-CE1 3.39Å; L283-H285 PolarHBondContact O-N 3.35Å; L283-H285 VanDerWaalsContact O-N 3.1Å; L283-E343 HydrophobicContact CD1-CG 3.94Å; L283-V347 HydrophobicContact CD1-CB 4.26Å; L283-V347 HydrophobicContact CD1-CG2 4.13Å |
| 284 | D | 89.7 | Confident | 88.9 | Confident | 7 Ų | 7 | 15.4 Ų | 15.4 | 4% | 0.037 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 32.1 | -174.3 | -46.7 | -84 | 0 | 0 | 0 | 113.8 | R173 R179 A281 I282 S286 A287 E288 | R173-D284 IonicContact CZ-OD2 3.34Å; R173-D284 VanDerWaalsContact CZ-OD2 3.29Å; R173-D284 IonicContact NH1-OD2 2.89Å; R173-D284 PolarHBondContact NH1-OD2 2.89Å; R173-D284 IonicContact NH2-OD2 3.54Å; R173-D284 PolarHBondContact NH2-OD2 3.18Å; R179-D284 IonicContact NE-OD1 3.21Å; A281-D284 PolarHBondContact O-N 3.35Å; I282-D284 VanDerWaalsContact C-N 3.33Å; D284-S286 VanDerWaalsContact C-N 3.25Å; D284-S286 PolarHBondContact O-N 2.88Å; D284-S286 VanDerWaalsContact O-N 3.15Å; D284-A287 HydrophobicContact CB-CB 3.94Å; D284-A287 WeakPolarHBondContact O-CA 3.35Å; D284-A287 VanDerWaalsContact O-CB 3.29Å; D284-A287 WeakPolarHBondContact O-CB 3.25Å; D284-A287 PolarHBondContact O-N 2.9Å; D284-E288 PolarHBondContact O-N 3.38Å |
| 285 | H | 89.3 | Confident | 88.1 | Confident | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.1 | -35.4 | -170.1 | -78.6 | 173.7 | 0 | 0 | 0 | 113.6 | H280 L283 E288 Q289 L340 E343 | H280-H285 AromaticContact CE1-ND1 3.76Å; H280-H285 AromaticContact CG-ND1 3.9Å; H280-H285 AromaticContact ND1-CE1 3.98Å; H280-H285 AromaticContact ND1-CG 3.72Å; H280-H285 AromaticContact ND1-ND1 2.91Å; H280-H285 PolarHBondContact ND1-ND1 3.06Å; H280-H285 PolarHBondContact O-N 3.47Å; H280-H285 VanDerWaalsContact O-N 3.12Å; L283-H285 VanDerWaalsContact CB-CD2 3.46Å; L283-H285 WeakPolarHBondContact CB-CD2 3.3Å; L283-H285 WeakPolarHBondContact CB-NE2 3.09Å; L283-H285 VanDerWaalsContact CD1-CE1 3.43Å; L283-H285 WeakPolarHBondContact CD1-CE1 3.39Å; L283-H285 PolarHBondContact O-N 3.35Å; L283-H285 VanDerWaalsContact O-N 3.1Å; H285-E288 PolarHBondContact O-N 3.49Å; H285-Q289 WeakPolarHBondContact O-CB 3.39Å; H285-Q289 PolarHBondContact O-N 2.95Å; H285-L340 HydrophobicContact CB-CD1 4.29Å; H285-L340 PolarHBondContact CE1-O 3.02Å; H285-E343 IonicContact CE1-OE2 3.29Å; H285-E343 IonicContact NE2-OE2 2.79Å; H285-E343 PolarHBondContact NE2-OE2 2.98Å; H285-E343 VanDerWaalsContact NE2-OE2 3.12Å |
| 286 | S | 83.4 | Confident | 87.3 | Confident | 40 Ų | 40 | 18.2 Ų | 18.2 | 28% | 0.28 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -68.8 | -32.7 | 174.6 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | Y182 D284 A290 | Y182-S286 VanDerWaalsContact OH-CB 3.28Å; Y182-S286 WeakPolarHBondContact OH-CB 3.5Å; Y182-S286 PolarHBondContact OH-O 3.27Å; Y182-S286 VanDerWaalsContact OH-O 3.1Å; Y182-S286 PolarHBondContact OH-OG 3.46Å; D284-S286 VanDerWaalsContact C-N 3.25Å; D284-S286 PolarHBondContact O-N 2.88Å; D284-S286 VanDerWaalsContact O-N 3.15Å; S286-A290 WeakPolarHBondContact O-CB 3.37Å; S286-A290 PolarHBondContact O-N 3.36Å |
| 287 | A | 84.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.2 | -37.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L175 Y182 D284 S291 | L175-A287 HydrophobicContact CD2-CB 4.2Å; Y182-A287 HydrophobicContact CD1-CB 3.46Å; Y182-A287 VanDerWaalsContact CD1-CB 3.46Å; Y182-A287 HydrophobicContact CD2-CB 3.92Å; Y182-A287 HydrophobicContact CE1-CB 3.62Å; Y182-A287 HydrophobicContact CE2-CB 4.09Å; Y182-A287 HydrophobicContact CG-CB 3.62Å; D284-A287 HydrophobicContact CB-CB 3.94Å; D284-A287 WeakPolarHBondContact O-CA 3.35Å; D284-A287 VanDerWaalsContact O-CB 3.29Å; D284-A287 WeakPolarHBondContact O-CB 3.25Å; D284-A287 PolarHBondContact O-N 2.9Å; A287-S291 VanDerWaalsContact O-CB 3.27Å; A287-S291 WeakPolarHBondContact O-CB 3.35Å; A287-S291 PolarHBondContact O-N 2.84Å; A287-S291 PolarHBondContact O-OG 3.46Å |
| 288 | E | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.6 | -48.2 | 175.5 | -175.1 | 174.5 | -178.1 | 0 | 0 | 111.2 | R171 R173 L175 D284 H285 A290 S291 L292 Y336 | R171-E288 IonicContact CZ-OE1 2.69Å; R171-E288 IonicContact CZ-OE2 2.67Å; R171-E288 IonicContact NH1-OE1 2.76Å; R171-E288 PolarHBondContact NH1-OE1 3.39Å; R171-E288 IonicContact NH1-OE2 2.7Å; R171-E288 PolarHBondContact NH1-OE2 3.15Å; R171-E288 IonicContact NH2-OE1 3.55Å; R171-E288 IonicContact NH2-OE2 2.66Å; R171-E288 PolarHBondContact NH2-OE2 2.96Å; R173-E288 VanDerWaalsContact CB-CD 3.43Å; R173-E288 HydrophobicContact CB-CG 4.21Å; R173-E288 VanDerWaalsContact CB-OE1 3.24Å; R173-E288 WeakPolarHBondContact CB-OE1 3.04Å; L175-E288 HydrophobicContact CD2-CB 4.14Å; D284-E288 PolarHBondContact O-N 3.38Å; H285-E288 PolarHBondContact O-N 3.49Å; E288-A290 PolarHBondContact O-N 3.39Å; E288-S291 WeakPolarHBondContact O-CB 3.35Å; E288-S291 PolarHBondContact O-N 2.91Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 2.99Å; E288-Y336 HydrophobicContact CG-CE1 4.15Å; E288-Y336 PolarHBondContact OE1-OH 2.87Å |
| 289 | Q | 81.8 | Confident | 84.9 | Confident | 71 Ų | 71 | 28.4 Ų | 28.4 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -41.1 | 174.7 | -169.5 | 179.7 | 9.1 | 0 | 0 | 111.7 | H285 S293 | H285-Q289 WeakPolarHBondContact O-CB 3.39Å; H285-Q289 PolarHBondContact O-N 2.95Å; Q289-S293 WeakPolarHBondContact O-CB 3.29Å; Q289-S293 PolarHBondContact O-N 2.94Å |
| 290 | A | 79.1 | Confident | 84 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 21% | 0.207 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F177 Y182 S286 E288 S293 H294 | F177-A290 HydrophobicContact CD2-CB 4.49Å; F177-A290 HydrophobicContact CE2-CB 4.26Å; Y182-A290 HydrophobicContact CE2-CB 4.01Å; S286-A290 WeakPolarHBondContact O-CB 3.37Å; S286-A290 PolarHBondContact O-N 3.36Å; E288-A290 PolarHBondContact O-N 3.39Å; A290-S293 WeakPolarHBondContact O-CB 3.41Å; A290-S293 PolarHBondContact O-N 2.85Å; A290-H294 PolarHBondContact O-CD2 2.94Å; A290-H294 VanDerWaalsContact O-CD2 3.31Å; A290-H294 PolarHBondContact O-N 3.44Å |
| 291 | S | 84.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | 176.6 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | L174 V176 A287 E288 H294 V295 | L174-S291 WeakPolarHBondContact O-CB 3.28Å; V176-S291 PolarHBondContact N-OG 3.39Å; A287-S291 VanDerWaalsContact O-CB 3.27Å; A287-S291 WeakPolarHBondContact O-CB 3.35Å; A287-S291 PolarHBondContact O-N 2.84Å; A287-S291 PolarHBondContact O-OG 3.46Å; E288-S291 WeakPolarHBondContact O-CB 3.35Å; E288-S291 PolarHBondContact O-N 2.91Å; S291-H294 PolarHBondContact O-N 2.88Å; S291-V295 PolarHBondContact O-N 2.94Å |
| 292 | L | 82.2 | Confident | 83.1 | Confident | 49 Ų | 49 | 34.4 Ų | 34.4 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 179.6 | -153.9 | 159.3 | 0 | 0 | 0 | 111 | E288 H294 V295 V296 Y336 | E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 2.99Å; L292-H294 VanDerWaalsContact C-N 3.3Å; L292-H294 PolarHBondContact O-N 3.43Å; L292-V295 PolarHBondContact O-N 2.96Å; L292-V296 HydrophobicContact CD2-CG2 3.84Å; L292-V296 WeakPolarHBondContact O-CG2 3.2Å; L292-V296 PolarHBondContact O-N 2.9Å; L292-Y336 HydrophobicContact CD1-CD1 3.94Å; L292-Y336 HydrophobicContact CD1-CD2 3.9Å; L292-Y336 HydrophobicContact CD1-CE1 3.6Å; L292-Y336 HydrophobicContact CD1-CE2 3.52Å; L292-Y336 HydrophobicContact CD1-CG 4.07Å |
| 293 | S | 78.4 | Confident | 82.5 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.6 | -43.1 | 172.6 | 171.3 | 0 | 0 | 0 | 0 | 112.6 | Q289 A290 V296 D297 M331 | Q289-S293 WeakPolarHBondContact O-CB 3.29Å; Q289-S293 PolarHBondContact O-N 2.94Å; A290-S293 WeakPolarHBondContact O-CB 3.41Å; A290-S293 PolarHBondContact O-N 2.85Å; S293-V296 PolarHBondContact O-N 2.83Å; S293-D297 WeakPolarHBondContact O-CB 3.38Å; S293-D297 PolarHBondContact O-N 2.82Å; S293-M331 VanDerWaalsContact OG-CE 3.28Å; S293-M331 WeakPolarHBondContact OG-CE 3.31Å |
| 294 | H | 79 | Confident | 81.9 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 20% | 0.199 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.9 | -34.2 | 178.5 | -83.8 | -138.3 | 0 | 0 | 0 | 113.7 | W100 K104 F177 A290 S291 L292 L298 | W100-H294 AromaticContact CD1-CE1 3.64Å; W100-H294 AromaticContact CE2-CE1 3.61Å; W100-H294 AromaticContact CE2-ND1 3.91Å; W100-H294 AromaticContact CZ2-ND1 3.84Å; W100-H294 AromaticContact NE1-CE1 2.95Å; W100-H294 PolarHBondContact NE1-CE1 3.41Å; W100-H294 AromaticContact NE1-ND1 3.58Å; W100-H294 AromaticContact NE1-NE2 3.61Å; K104-H294 PolarHBondContact NZ-NE2 2.91Å; F177-H294 AromaticContact CZ-CE1 3.57Å; F177-H294 AromaticContact CZ-ND1 3.44Å; F177-H294 WeakPolarHBondContact CZ-ND1 3.37Å; A290-H294 PolarHBondContact O-CD2 2.94Å; A290-H294 VanDerWaalsContact O-CD2 3.31Å; A290-H294 PolarHBondContact O-N 3.44Å; S291-H294 PolarHBondContact O-N 2.88Å; L292-H294 VanDerWaalsContact C-N 3.3Å; L292-H294 PolarHBondContact O-N 3.43Å; H294-L298 WeakPolarHBondContact O-CB 3.47Å; H294-L298 PolarHBondContact O-N 2.86Å; H294-L298 VanDerWaalsContact O-N 3.08Å |
| 295 | V | 81.8 | Confident | 81.7 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | 172.2 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | L159 L174 V176 S291 L292 L298 L299 | L159-V295 HydrophobicContact CD2-CG1 4.4Å; L159-V295 HydrophobicContact CD2-CG2 3.91Å; L174-V295 HydrophobicContact CD2-CG2 4.2Å; V176-V295 HydrophobicContact CG2-CG2 3.92Å; S291-V295 PolarHBondContact O-N 2.94Å; L292-V295 PolarHBondContact O-N 2.96Å; V295-L298 PolarHBondContact O-N 3.26Å; V295-L299 HydrophobicContact CG1-CD1 4.09Å; V295-L299 WeakPolarHBondContact O-CG 3.28Å; V295-L299 PolarHBondContact O-N 3.1Å |
| 296 | V | 79.4 | Confident | 81.5 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 178.1 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L292 S293 L298 L299 S300 L327 M331 | L292-V296 HydrophobicContact CD2-CG2 3.84Å; L292-V296 WeakPolarHBondContact O-CG2 3.2Å; L292-V296 PolarHBondContact O-N 2.9Å; S293-V296 PolarHBondContact O-N 2.83Å; V296-L298 VanDerWaalsContact C-N 3.35Å; V296-L298 PolarHBondContact O-N 2.87Å; V296-L299 PolarHBondContact O-N 3.21Å; V296-S300 PolarHBondContact O-N 3.05Å; V296-L327 HydrophobicContact CG1-CD1 3.37Å; V296-L327 HydrophobicContact CG1-CG 4.1Å; V296-M331 HydrophobicContact CB-CE 4.33Å; V296-M331 HydrophobicContact CB-SD 3.69Å; V296-M331 HydrophobicContact CG1-CE 4.1Å; V296-M331 HydrophobicContact CG1-CG 4.17Å; V296-M331 HydrophobicContact CG1-SD 3.53Å; V296-M331 VanDerWaalsContact CG1-SD 3.53Å; V296-M331 HydrophobicContact CG2-SD 4.11Å |
| 297 | D | 76.2 | Confident | 81.5 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 11% | 0.112 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 173.8 | -119.3 | -19.7 | 0 | 0 | 0 | 111.4 | K104 K108 S293 S300 | K104-D297 VanDerWaalsContact CE-OD2 3.28Å; K104-D297 WeakPolarHBondContact CE-OD2 3.42Å; K104-D297 IonicContact NZ-OD2 3.52Å; K104-D297 PolarHBondContact NZ-OD2 2.88Å; K108-D297 VanDerWaalsContact CE-OD1 3.32Å; K108-D297 WeakPolarHBondContact CE-OD1 3.49Å; K108-D297 IonicContact NZ-OD1 2.7Å; K108-D297 PolarHBondContact NZ-OD1 3Å; S293-D297 WeakPolarHBondContact O-CB 3.38Å; S293-D297 PolarHBondContact O-N 2.82Å; D297-S300 WeakPolarHBondContact O-CB 3.44Å; D297-S300 PolarHBondContact O-N 2.89Å; D297-S300 PolarHBondContact O-OG 2.96Å |
| 298 | L | 80.2 | Confident | 81.4 | Confident | 113 Ų | 113 | 43.2 Ų | 43.2 | 59% | 0.592 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.8 | -44.3 | 178.2 | -179.5 | 63.3 | 0 | 0 | 0 | 112.1 | H294 V295 V296 S300 L301 | H294-L298 WeakPolarHBondContact O-CB 3.47Å; H294-L298 PolarHBondContact O-N 2.86Å; H294-L298 VanDerWaalsContact O-N 3.08Å; V295-L298 PolarHBondContact O-N 3.26Å; V296-L298 VanDerWaalsContact C-N 3.35Å; V296-L298 PolarHBondContact O-N 2.87Å; L298-S300 VanDerWaalsContact C-N 3.29Å; L298-S300 PolarHBondContact O-N 3.35Å; L298-L301 HydrophobicContact CD1-CD1 4.35Å; L298-L301 WeakPolarHBondContact O-CB 3.39Å; L298-L301 PolarHBondContact O-N 2.97Å |
| 299 | L | 79.8 | Confident | 81.3 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 175.3 | -69.1 | 171.1 | 0 | 0 | 0 | 111.9 | V295 V296 L301 I302 | V295-L299 HydrophobicContact CG1-CD1 4.09Å; V295-L299 WeakPolarHBondContact O-CG 3.28Å; V295-L299 PolarHBondContact O-N 3.1Å; V296-L299 PolarHBondContact O-N 3.21Å; L299-L301 PolarHBondContact O-N 2.9Å; L299-I302 HydrophobicContact CD2-CD1 4.38Å; L299-I302 WeakPolarHBondContact O-CB 3.46Å; L299-I302 PolarHBondContact O-N 3.42Å; L299-I302 VanDerWaalsContact O-N 3.13Å |
| 300 | S | 76.6 | Confident | 81.4 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 12% | 0.119 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -31.7 | 177.7 | 85.7 | 0 | 0 | 0 | 0 | 112.9 | V296 D297 L298 I302 V303 V304 | V296-S300 PolarHBondContact O-N 3.05Å; D297-S300 WeakPolarHBondContact O-CB 3.44Å; D297-S300 PolarHBondContact O-N 2.89Å; D297-S300 PolarHBondContact O-OG 2.96Å; L298-S300 VanDerWaalsContact C-N 3.29Å; L298-S300 PolarHBondContact O-N 3.35Å; S300-I302 VanDerWaalsContact C-N 3.27Å; S300-I302 PolarHBondContact O-N 3.49Å; S300-V303 PolarHBondContact O-N 3Å; S300-V303 VanDerWaalsContact O-N 3.17Å; S300-V304 WeakPolarHBondContact O-CB 3.34Å; S300-V304 WeakPolarHBondContact O-CG2 3.24Å; S300-V304 PolarHBondContact O-N 3.37Å |
| 301 | L | 81.9 | Confident | 81.5 | Confident | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -33.6 | 178.4 | -59.5 | 179.7 | 0 | 0 | 0 | 112.4 | Q107 K108 A111 L298 L299 T305 | Q107-L301 HydrophobicContact CB-CD1 4.02Å; Q107-L301 HydrophobicContact CB-CD2 4.26Å; K108-L301 HydrophobicContact CB-CD2 4.47Å; K108-L301 HydrophobicContact CG-CD2 3.67Å; A111-L301 HydrophobicContact CB-CB 4.44Å; A111-L301 HydrophobicContact CB-CD2 4.29Å; L298-L301 HydrophobicContact CD1-CD1 4.35Å; L298-L301 WeakPolarHBondContact O-CB 3.39Å; L298-L301 PolarHBondContact O-N 2.97Å; L299-L301 PolarHBondContact O-N 2.9Å; L301-T305 WeakPolarHBondContact O-CB 3.45Å; L301-T305 PolarHBondContact O-N 2.67Å; L301-T305 PolarHBondContact O-OG1 2.95Å |
| 302 | I | 83.6 | Confident | 80.8 | Confident | 116 Ų | 116 | 54.7 Ų | 54.7 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.5 | -46.6 | 176.3 | -54.5 | 176 | 0 | 0 | 0 | 109.5 | L299 S300 T305 A306 | L299-I302 HydrophobicContact CD2-CD1 4.38Å; L299-I302 WeakPolarHBondContact O-CB 3.46Å; L299-I302 PolarHBondContact O-N 3.42Å; L299-I302 VanDerWaalsContact O-N 3.13Å; S300-I302 VanDerWaalsContact C-N 3.27Å; S300-I302 PolarHBondContact O-N 3.49Å; I302-T305 PolarHBondContact O-N 2.66Å; I302-A306 WeakPolarHBondContact O-CB 3.27Å; I302-A306 PolarHBondContact O-N 3.12Å |
| 303 | V | 80.6 | Confident | 80 | Confident | 83 Ų | 83 | 54.4 Ų | 54.4 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 179 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | S300 T305 A306 I307 | S300-V303 PolarHBondContact O-N 3Å; S300-V303 VanDerWaalsContact O-N 3.17Å; V303-T305 PolarHBondContact O-N 2.8Å; V303-A306 PolarHBondContact O-N 3.14Å; V303-I307 HydrophobicContact CG1-CD1 3.82Å; V303-I307 WeakPolarHBondContact O-CD1 3.36Å; V303-I307 VanDerWaalsContact O-CG1 3.31Å; V303-I307 WeakPolarHBondContact O-CG1 3.35Å; V303-I307 PolarHBondContact O-N 3.3Å |
| 304 | V | 81.1 | Confident | 79.1 | Confident | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111 | A111 I112 S300 A306 I307 W308 | A111-V304 HydrophobicContact CB-CG1 4.06Å; I112-V304 HydrophobicContact CG1-CG1 3.85Å; S300-V304 WeakPolarHBondContact O-CB 3.34Å; S300-V304 WeakPolarHBondContact O-CG2 3.24Å; S300-V304 PolarHBondContact O-N 3.37Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.04Å; V304-I307 PolarHBondContact O-N 3.18Å; V304-W308 VanDerWaalsContact O-CD1 3.27Å; V304-W308 PolarHBondContact O-N 2.8Å |
| 305 | T | 85.4 | Confident | 78 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 15% | 0.153 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | A111 L114 L118 L301 I302 V303 W308 A309 | A111-T305 WeakPolarHBondContact CB-OG1 3.43Å; L114-T305 HydrophobicContact CB-CG2 4.32Å; L114-T305 HydrophobicContact CD2-CG2 3.91Å; L114-T305 HydrophobicContact CG-CG2 3.94Å; L118-T305 HydrophobicContact CD1-CG2 4.43Å; L301-T305 WeakPolarHBondContact O-CB 3.45Å; L301-T305 PolarHBondContact O-N 2.67Å; L301-T305 PolarHBondContact O-OG1 2.95Å; I302-T305 PolarHBondContact O-N 2.66Å; V303-T305 PolarHBondContact O-N 2.8Å; T305-W308 PolarHBondContact O-N 3.36Å; T305-A309 WeakPolarHBondContact O-CB 3.46Å; T305-A309 PolarHBondContact O-N 3.32Å |
| 306 | A | 84.4 | Confident | 76.7 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I302 V303 V304 W308 A309 L310 | I302-A306 WeakPolarHBondContact O-CB 3.27Å; I302-A306 PolarHBondContact O-N 3.12Å; V303-A306 PolarHBondContact O-N 3.14Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.04Å; A306-W308 VanDerWaalsContact C-N 3.31Å; A306-W308 PolarHBondContact O-N 3.31Å; A306-A309 PolarHBondContact O-N 3.37Å; A306-A309 VanDerWaalsContact O-N 3.16Å; A306-L310 WeakPolarHBondContact O-CB 3.41Å; A306-L310 VanDerWaalsContact O-CG 3.31Å; A306-L310 WeakPolarHBondContact O-CG 3.46Å; A306-L310 PolarHBondContact O-N 3.44Å |
| 307 | I | 82.8 | Confident | 75.5 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 17% | 0.169 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 172.6 | -71.9 | 160.6 | 0 | 0 | 0 | 110.3 | V303 V304 A309 L310 C311 V319 | V303-I307 HydrophobicContact CG1-CD1 3.82Å; V303-I307 WeakPolarHBondContact O-CD1 3.36Å; V303-I307 VanDerWaalsContact O-CG1 3.31Å; V303-I307 WeakPolarHBondContact O-CG1 3.35Å; V303-I307 PolarHBondContact O-N 3.3Å; V304-I307 PolarHBondContact O-N 3.18Å; I307-A309 VanDerWaalsContact C-N 3.31Å; I307-A309 PolarHBondContact O-N 3.46Å; I307-L310 PolarHBondContact O-N 2.73Å; I307-C311 PolarHBondContact O-N 3.32Å; I307-V319 HydrophobicContact CD1-CG1 3.78Å; I307-V319 HydrophobicContact CG1-CG1 4.42Å; I307-V319 HydrophobicContact CG2-CG1 3.84Å |
| 308 | W | 82.3 | Confident | 74.3 | Confident | 24 Ų | 24 | 70.6 Ų | 70.6 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -71.2 | -23.4 | 179.9 | -80.7 | 100.3 | 0 | 0 | 0 | 113.8 | I112 G115 R116 R119 V304 T305 A306 L316 | I112-W308 HydrophobicContact CB-CG 4.49Å; I112-W308 HydrophobicContact CG2-CD2 3.94Å; I112-W308 HydrophobicContact CG2-CE3 4.46Å; I112-W308 HydrophobicContact CG2-CG 4.24Å; I112-W308 HydrophobicContact CG2-CZ2 4.07Å; G115-W308 VanDerWaalsContact C-C 3.49Å; G115-W308 CarbonylContact C-O 3.56Å; G115-W308 VanDerWaalsContact C-O 3.27Å; G115-W308 CarbonylContact O-C 3.58Å; R116-W308 HydrophobicContact CG-CD2 4.2Å; R116-W308 HydrophobicContact CG-CE3 3.38Å; R116-W308 HydrophobicContact CG-CZ3 3.77Å; R116-W308 VanDerWaalsContact NH1-CH2 3.26Å; R119-W308 PolarHBondContact NE-O 3.13Å; R119-W308 PolarHBondContact NH2-O 2.88Å; V304-W308 VanDerWaalsContact O-CD1 3.27Å; V304-W308 PolarHBondContact O-N 2.8Å; T305-W308 PolarHBondContact O-N 3.36Å; A306-W308 VanDerWaalsContact C-N 3.31Å; A306-W308 PolarHBondContact O-N 3.31Å; W308-L316 HydrophobicContact CH2-CD1 3.61Å; W308-L316 HydrophobicContact CZ2-CD1 3.54Å |
| 309 | A | 86.1 | Confident | 73.2 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.4 | -36.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | G115 L118 R119 T305 A306 I307 | G115-A309 WeakPolarHBondContact O-CA 3.49Å; L118-A309 HydrophobicContact CB-CB 4.32Å; R119-A309 WeakPolarHBondContact CB-O 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.46Å; T305-A309 PolarHBondContact O-N 3.32Å; A306-A309 PolarHBondContact O-N 3.37Å; A306-A309 VanDerWaalsContact O-N 3.16Å; I307-A309 VanDerWaalsContact C-N 3.31Å; I307-A309 PolarHBondContact O-N 3.46Å |
| 310 | L | 83.7 | Confident | 72 | Confident | 137 Ų | 137 | 64.9 Ų | 64.9 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -101.2 | -40.8 | -165.6 | -63.8 | 173.7 | 0 | 0 | 0 | 115.6 | A306 I307 P312 | A306-L310 WeakPolarHBondContact O-CB 3.41Å; A306-L310 VanDerWaalsContact O-CG 3.31Å; A306-L310 WeakPolarHBondContact O-CG 3.46Å; A306-L310 PolarHBondContact O-N 3.44Å; I307-L310 PolarHBondContact O-N 2.73Å; L310-P312 VanDerWaalsContact O-CD 3.25Å; L310-P312 WeakPolarHBondContact O-CD 3.5Å |
| 311 | C | 81 | Confident | 71 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | trans | -94.6 | 104.1 | -164.7 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | R119 I307 | R119-C311 PolarHBondContact NH1-O 3.3Å; R119-C311 PolarHBondContact NH2-O 3.37Å; I307-C311 PolarHBondContact O-N 3.32Å | ||
| 312 | P | 69.7 | Low | 69.9 | Low | 116 Ų | 116 | 71.7 Ų | 71.7 | 75% | 0.753 | 43% | 0.433 | S | S | * | . | trans | -63 | 144.5 | -178.8 | 27.7 | -35.4 | 0 | 0 | 0 | 112.6 | L310 | L310-P312 VanDerWaalsContact O-CD 3.25Å; L310-P312 WeakPolarHBondContact O-CD 3.5Å | ||
| 313 | G | 65.8 | Low | 68.6 | Low | 43 Ų | 43 | 67.7 Ų | 67.7 | 44% | 0.443 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 107.7 | 164.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | R119 | R119-G313 PolarHBondContact NH1-O 3.01Å; R119-G313 VanDerWaalsContact NH1-O 3.14Å |
| 314 | D | 60.3 | Low | 67.3 | Low | 104 Ų | 104 | 69.5 Ų | 69.5 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | trans | -97 | 59.5 | 169.9 | -84.7 | -66.5 | 0 | 0 | 0 | 109.3 | R116 L316 | R116-D314 IonicContact CZ-OD1 2.84Å; R116-D314 IonicContact NH1-OD1 3.13Å; R116-D314 PolarHBondContact NH1-OD1 3.35Å; R116-D314 IonicContact NH2-OD1 2.65Å; R116-D314 PolarHBondContact NH2-OD1 2.85Å; R116-D314 IonicContact NH2-OD2 2.76Å; R116-D314 PolarHBondContact NH2-OD2 3.29Å; R116-D314 VanDerWaalsContact NH2-OD2 3.13Å; D314-L316 PolarHBondContact O-N 2.86Å | ||
| 315 | S | 56.1 | Low | 66.1 | Low | 47 Ų | 47 | 71.7 Ų | 71.7 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | trans | -74.7 | 43.6 | -178.7 | 61.2 | 0 | 0 | 0 | 0 | 113 | A317 V319 | S315-A317 VanDerWaalsContact C-N 3.35Å; S315-A317 PolarHBondContact O-N 3.36Å; S315-V319 PolarHBondContact O-N 3Å | ||
| 316 | L | 54.2 | Low | 64.6 | Low | 115 Ų | 115 | 74.4 Ų | 74.4 | 60% | 0.602 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -53.9 | -48.2 | -172.7 | -131.2 | 82.5 | 0 | 0 | 0 | 111.9 | W308 D314 G320 | W308-L316 HydrophobicContact CH2-CD1 3.61Å; W308-L316 HydrophobicContact CZ2-CD1 3.54Å; D314-L316 PolarHBondContact O-N 2.86Å; L316-G320 VanDerWaalsContact O-CA 3.29Å; L316-G320 WeakPolarHBondContact O-CA 3.31Å; L316-G320 PolarHBondContact O-N 3.33Å |
| 317 | A | 53.6 | Low | 63.1 | Low | 82 Ų | 82 | 74.4 Ų | 74.4 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.9 | -54.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S315 V319 G321 | S315-A317 VanDerWaalsContact C-N 3.35Å; S315-A317 PolarHBondContact O-N 3.36Å; A317-V319 PolarHBondContact O-N 2.98Å; A317-G321 PolarHBondContact O-N 2.92Å |
| 318 | L | 51.8 | Low | 61.7 | Low | 145 Ų | 145 | 75.8 Ų | 75.8 | 76% | 0.759 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | -175 | -111.9 | 75.2 | 0 | 0 | 0 | 112.3 | W322 | L318-W322 WeakPolarHBondContact O-CB 3.26Å; L318-W322 PolarHBondContact O-N 2.98Å |
| 319 | V | 55.8 | Low | 60.2 | Low | 42 Ų | 42 | 78.7 Ų | 78.7 | 26% | 0.255 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -86.4 | -31.4 | -174 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | I307 S315 A317 A323 | I307-V319 HydrophobicContact CD1-CG1 3.78Å; I307-V319 HydrophobicContact CG1-CG1 4.42Å; I307-V319 HydrophobicContact CG2-CG1 3.84Å; S315-V319 PolarHBondContact O-N 3Å; A317-V319 PolarHBondContact O-N 2.98Å; V319-A323 WeakPolarHBondContact O-CB 3.41Å; V319-A323 PolarHBondContact O-N 3.4Å |
| 320 | G | 55.8 | Low | 58.4 | Low | 44 Ų | 44 | 81.9 Ų | 81.9 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L316 K324 | L316-G320 VanDerWaalsContact O-CA 3.29Å; L316-G320 WeakPolarHBondContact O-CA 3.31Å; L316-G320 PolarHBondContact O-N 3.33Å; G320-K324 WeakPolarHBondContact O-CB 3.5Å; G320-K324 PolarHBondContact O-N 2.86Å; G320-K324 VanDerWaalsContact O-N 3.11Å |
| 321 | G | 55.4 | Low | 56.7 | Low | 22 Ų | 22 | 77.1 Ų | 77.1 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.3 | -67.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A317 A323 K324 D325 | A317-G321 PolarHBondContact O-N 2.92Å; G321-A323 VanDerWaalsContact C-N 3.3Å; G321-A323 PolarHBondContact O-N 3.35Å; G321-A323 VanDerWaalsContact O-N 3.14Å; G321-K324 CarbonylContact O-C 3.49Å; G321-K324 PolarHBondContact O-N 3.01Å; G321-D325 WeakPolarHBondContact O-CB 3.34Å; G321-D325 PolarHBondContact O-N 2.97Å; G321-D325 VanDerWaalsContact O-OD2 3.07Å |
| 322 | W | 57.8 | Low | 55.2 | Low | 165 Ų | 165 | 78.8 Ų | 78.8 | 63% | 0.625 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -52.5 | -43 | -176 | 179.4 | 87.5 | 0 | 0 | 0 | 113.7 | L318 K326 | L318-W322 WeakPolarHBondContact O-CB 3.26Å; L318-W322 PolarHBondContact O-N 2.98Å; W322-K326 HydrophobicContact CZ2-CG 4.28Å; W322-K326 WeakPolarHBondContact O-CB 3.33Å; W322-K326 PolarHBondContact O-N 3.25Å |
| 323 | A | 57.3 | Low | 54.3 | Low | 31 Ų | 31 | 77.9 Ų | 77.9 | 26% | 0.256 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V319 G321 L327 | V319-A323 WeakPolarHBondContact O-CB 3.41Å; V319-A323 PolarHBondContact O-N 3.4Å; G321-A323 VanDerWaalsContact C-N 3.3Å; G321-A323 PolarHBondContact O-N 3.35Å; G321-A323 VanDerWaalsContact O-N 3.14Å; A323-L327 WeakPolarHBondContact O-CB 3.49Å; A323-L327 PolarHBondContact O-N 3.04Å |
| 324 | K | 52.9 | Low | 54 | Low | 121 Ų | 121 | 79.5 Ų | 79.5 | 53% | 0.526 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 173.3 | -173.9 | -165.5 | 67.9 | 64.9 | 0 | 110.4 | G320 G321 L327 T328 | G320-K324 WeakPolarHBondContact O-CB 3.5Å; G320-K324 PolarHBondContact O-N 2.86Å; G320-K324 VanDerWaalsContact O-N 3.11Å; G321-K324 CarbonylContact O-C 3.49Å; G321-K324 PolarHBondContact O-N 3.01Å; K324-L327 WeakPolarHBondContact O-CB 3.41Å; K324-L327 PolarHBondContact O-N 3.45Å; K324-L327 VanDerWaalsContact O-N 3.17Å; K324-T328 WeakPolarHBondContact O-CB 3.47Å; K324-T328 PolarHBondContact O-N 3.22Å; K324-T328 PolarHBondContact O-OG1 2.76Å; K324-T328 VanDerWaalsContact O-OG1 3.05Å |
| 325 | D | 55.8 | Low | 53.9 | Low | 80 Ų | 80 | 77.9 Ų | 77.9 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | -172.8 | -59.9 | -33.5 | 0 | 0 | 0 | 111.4 | G321 L327 T328 E329 | G321-D325 WeakPolarHBondContact O-CB 3.34Å; G321-D325 PolarHBondContact O-N 2.97Å; G321-D325 VanDerWaalsContact O-OD2 3.07Å; D325-L327 VanDerWaalsContact C-N 3.34Å; D325-L327 PolarHBondContact O-N 3.32Å; D325-T328 PolarHBondContact O-N 3.27Å; D325-E329 VanDerWaalsContact O-CB 3.31Å; D325-E329 WeakPolarHBondContact O-CB 3.27Å; D325-E329 PolarHBondContact O-N 3.25Å |
| 326 | K | 54.5 | Low | 54.5 | Low | 82 Ų | 82 | 78.6 Ų | 78.6 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68 | -29.6 | 169.9 | -83.5 | -66.3 | -179.5 | -150.5 | 0 | 113.5 | W322 E329 L330 | W322-K326 HydrophobicContact CZ2-CG 4.28Å; W322-K326 WeakPolarHBondContact O-CB 3.33Å; W322-K326 PolarHBondContact O-N 3.25Å; K326-E329 WeakPolarHBondContact CD-OE2 3.39Å; K326-E329 WeakPolarHBondContact CE-OE2 3.36Å; K326-E329 IonicContact NZ-OE1 3.84Å; K326-E329 PolarHBondContact NZ-OE1 2.87Å; K326-E329 IonicContact NZ-OE2 2.71Å; K326-E329 PolarHBondContact NZ-OE2 3.27Å; K326-L330 WeakPolarHBondContact O-CB 3.34Å; K326-L330 PolarHBondContact O-N 3.41Å |
| 327 | L | 53.4 | Low | 55.5 | Low | 45 Ų | 45 | 73.5 Ų | 73.5 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.5 | -45.4 | 172.8 | -161.5 | 72.1 | 0 | 0 | 0 | 110.8 | V296 A323 K324 D325 L330 M331 | V296-L327 HydrophobicContact CG1-CD1 3.37Å; V296-L327 HydrophobicContact CG1-CG 4.1Å; A323-L327 WeakPolarHBondContact O-CB 3.49Å; A323-L327 PolarHBondContact O-N 3.04Å; K324-L327 WeakPolarHBondContact O-CB 3.41Å; K324-L327 PolarHBondContact O-N 3.45Å; K324-L327 VanDerWaalsContact O-N 3.17Å; D325-L327 VanDerWaalsContact C-N 3.34Å; D325-L327 PolarHBondContact O-N 3.32Å; L327-L330 PolarHBondContact O-N 2.83Å; L327-M331 WeakPolarHBondContact O-CB 3.3Å; L327-M331 WeakPolarHBondContact O-CG 3.5Å; L327-M331 PolarHBondContact O-N 3.42Å |
| 328 | T | 51.5 | Low | 56.7 | Low | 61 Ų | 61 | 74.5 Ų | 74.5 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 173 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | K324 D325 L330 M331 F332 | K324-T328 WeakPolarHBondContact O-CB 3.47Å; K324-T328 PolarHBondContact O-N 3.22Å; K324-T328 PolarHBondContact O-OG1 2.76Å; K324-T328 VanDerWaalsContact O-OG1 3.05Å; D325-T328 PolarHBondContact O-N 3.27Å; T328-L330 PolarHBondContact O-N 2.87Å; T328-M331 PolarHBondContact O-N 3Å; T328-M331 VanDerWaalsContact O-N 3.1Å; T328-F332 HydrophobicContact CG2-CD2 3.71Å; T328-F332 HydrophobicContact CG2-CE2 4.23Å; T328-F332 VanDerWaalsContact O-CD2 3.31Å; T328-F332 WeakPolarHBondContact O-CD2 3.35Å; T328-F332 PolarHBondContact O-N 3.36Å |
| 329 | E | 51.4 | Low | 58.2 | Low | 86 Ų | 86 | 74 Ų | 74 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 174.4 | -167.5 | -170.4 | 129.8 | 0 | 0 | 112.2 | D325 K326 M331 N333 | D325-E329 VanDerWaalsContact O-CB 3.31Å; D325-E329 WeakPolarHBondContact O-CB 3.27Å; D325-E329 PolarHBondContact O-N 3.25Å; K326-E329 WeakPolarHBondContact CD-OE2 3.39Å; K326-E329 WeakPolarHBondContact CE-OE2 3.36Å; K326-E329 IonicContact NZ-OE1 3.84Å; K326-E329 PolarHBondContact NZ-OE1 2.87Å; K326-E329 IonicContact NZ-OE2 2.71Å; K326-E329 PolarHBondContact NZ-OE2 3.27Å; E329-M331 VanDerWaalsContact C-N 3.26Å; E329-M331 PolarHBondContact O-N 3.13Å; E329-N333 HydrophobicContact CG-CB 4.32Å; E329-N333 WeakPolarHBondContact O-CA 3.46Å; E329-N333 WeakPolarHBondContact O-CB 3.32Å; E329-N333 PolarHBondContact O-N 2.89Å |
| 330 | L | 48.2 | Very low | 59.7 | Low | 95 Ų | 95 | 72.2 Ų | 72.2 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.8 | -20.9 | 175.4 | -114.8 | 85 | 0 | 0 | 0 | 114.4 | K326 L327 T328 H334 | K326-L330 WeakPolarHBondContact O-CB 3.34Å; K326-L330 PolarHBondContact O-N 3.41Å; L327-L330 PolarHBondContact O-N 2.83Å; T328-L330 PolarHBondContact O-N 2.87Å; L330-H334 VanDerWaalsContact O-CB 3.23Å; L330-H334 WeakPolarHBondContact O-CB 3.44Å; L330-H334 PolarHBondContact O-CD2 3.25Å; L330-H334 VanDerWaalsContact O-CD2 3.26Å |
| 331 | M | 47.5 | Very low | 61.2 | Low | 37 Ų | 37 | 70.5 Ų | 70.5 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -100.9 | -33.4 | -173.7 | -66.3 | -103.9 | -93.3 | 0 | 0 | 112.3 | S293 V296 L327 T328 E329 | S293-M331 VanDerWaalsContact OG-CE 3.28Å; S293-M331 WeakPolarHBondContact OG-CE 3.31Å; V296-M331 HydrophobicContact CB-CE 4.33Å; V296-M331 HydrophobicContact CB-SD 3.69Å; V296-M331 HydrophobicContact CG1-CE 4.1Å; V296-M331 HydrophobicContact CG1-CG 4.17Å; V296-M331 HydrophobicContact CG1-SD 3.53Å; V296-M331 VanDerWaalsContact CG1-SD 3.53Å; V296-M331 HydrophobicContact CG2-SD 4.11Å; L327-M331 WeakPolarHBondContact O-CB 3.3Å; L327-M331 WeakPolarHBondContact O-CG 3.5Å; L327-M331 PolarHBondContact O-N 3.42Å; T328-M331 PolarHBondContact O-N 3Å; T328-M331 VanDerWaalsContact O-N 3.1Å; E329-M331 VanDerWaalsContact C-N 3.26Å; E329-M331 PolarHBondContact O-N 3.13Å |
| 332 | F | 50 | Low | 62.8 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -110.8 | -25.7 | -173.8 | -61.7 | -76.2 | 0 | 0 | 0 | 113.7 | T328 T387 | T328-F332 HydrophobicContact CG2-CD2 3.71Å; T328-F332 HydrophobicContact CG2-CE2 4.23Å; T328-F332 VanDerWaalsContact O-CD2 3.31Å; T328-F332 WeakPolarHBondContact O-CD2 3.35Å; T328-F332 PolarHBondContact O-N 3.36Å; F332-T387 HydrophobicContact CB-CG2 4.22Å; F332-T387 HydrophobicContact CD1-CG2 3.86Å; F332-T387 WeakPolarHBondContact O-CB 3.32Å |
| 333 | N | 51.5 | Low | 64.5 | Low | 97 Ų | 97 | 63.6 Ų | 63.6 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -102.7 | 11.9 | 176.5 | -67 | -19.5 | 0 | 0 | 0 | 113.5 | E329 R338 | E329-N333 HydrophobicContact CG-CB 4.32Å; E329-N333 WeakPolarHBondContact O-CA 3.46Å; E329-N333 WeakPolarHBondContact O-CB 3.32Å; E329-N333 PolarHBondContact O-N 2.89Å; N333-R338 PolarHBondContact O-NH1 2.98Å |
| 334 | H | 60 | Low | 66.2 | Low | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -75.9 | 153.3 | -170.7 | -139.1 | -118.7 | 0 | 0 | 0 | 112.9 | L330 Y336 S337 R338 | L330-H334 VanDerWaalsContact O-CB 3.23Å; L330-H334 WeakPolarHBondContact O-CB 3.44Å; L330-H334 PolarHBondContact O-CD2 3.25Å; L330-H334 VanDerWaalsContact O-CD2 3.26Å; H334-Y336 PolarHBondContact O-N 3.18Å; H334-S337 PolarHBondContact O-N 2.87Å; H334-S337 PolarHBondContact O-OG 3.35Å; H334-R338 PolarHBondContact O-NH1 3.31Å |
| 335 | P | 57.8 | Low | 68.1 | Low | 69 Ų | 69 | 56.5 Ų | 56.5 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 3.4 | 164.9 | 27 | -36.8 | 0 | 0 | 0 | 114.4 | K339 | P335-K339 WeakPolarHBondContact O-CG 2.98Š|
| 336 | Y | 68.1 | Low | 70 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -51.9 | 171.7 | -157.5 | -88.6 | 0 | 0 | 0 | 112.2 | E288 L292 H334 R338 K339 L340 | E288-Y336 HydrophobicContact CG-CE1 4.15Å; E288-Y336 PolarHBondContact OE1-OH 2.87Å; L292-Y336 HydrophobicContact CD1-CD1 3.94Å; L292-Y336 HydrophobicContact CD1-CD2 3.9Å; L292-Y336 HydrophobicContact CD1-CE1 3.6Å; L292-Y336 HydrophobicContact CD1-CE2 3.52Å; L292-Y336 HydrophobicContact CD1-CG 4.07Å; H334-Y336 PolarHBondContact O-N 3.18Å; Y336-R338 PolarHBondContact O-N 3.48Å; Y336-K339 WeakPolarHBondContact O-CA 3.5Å; Y336-K339 WeakPolarHBondContact O-CB 3.06Å; Y336-K339 PolarHBondContact O-N 2.95Å; Y336-L340 HydrophobicContact CD1-CD1 4.27Å; Y336-L340 HydrophobicContact CD1-CD2 4.49Å; Y336-L340 HydrophobicContact CD1-CG 4.32Å; Y336-L340 HydrophobicContact CE1-CD1 4.31Å; Y336-L340 HydrophobicContact CE1-CD2 4.11Å; Y336-L340 HydrophobicContact CE1-CG 4.39Å; Y336-L340 PolarHBondContact O-N 2.81Å |
| 337 | S | 75.1 | Confident | 72 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 174.2 | 71.9 | 0 | 0 | 0 | 0 | 109.8 | H334 K339 L340 E341 T387 | H334-S337 PolarHBondContact O-N 2.87Å; H334-S337 PolarHBondContact O-OG 3.35Å; S337-K339 PolarHBondContact O-N 3.1Å; S337-L340 CarbonylContact O-C 3.5Å; S337-L340 WeakPolarHBondContact O-CA 3.28Å; S337-L340 WeakPolarHBondContact O-CB 3.33Å; S337-L340 PolarHBondContact O-N 3.41Å; S337-E341 WeakPolarHBondContact O-CG 3.5Å; S337-E341 PolarHBondContact O-N 3.17Å; S337-T387 PolarHBondContact OG-O 3.01Å; S337-T387 VanDerWaalsContact OG-O 3.07Å |
| 338 | R | 78.7 | Confident | 74.1 | Confident | 104 Ų | 104 | 50.6 Ų | 50.6 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.4 | -19.9 | 173.9 | -62.3 | -163.6 | -75.5 | -78.1 | 9.3 | 115.3 | N333 H334 Y336 A342 P389 | N333-R338 PolarHBondContact O-NH1 2.98Å; H334-R338 PolarHBondContact O-NH1 3.31Å; Y336-R338 PolarHBondContact O-N 3.48Å; R338-A342 VanDerWaalsContact O-CB 3.3Å; R338-A342 WeakPolarHBondContact O-CB 3.15Å; R338-A342 PolarHBondContact O-N 2.88Å; R338-P389 HydrophobicContact CG-CB 4.09Å; R338-P389 HydrophobicContact CG-CG 4.19Å |
| 339 | K | 84.3 | Confident | 76.2 | Confident | 135 Ų | 135 | 47.8 Ų | 47.8 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -83 | -42.5 | 170.2 | -75.6 | 176 | 177.1 | -170.2 | 0 | 111.9 | P335 Y336 S337 E341 A342 E343 | P335-K339 WeakPolarHBondContact O-CG 2.98Å; Y336-K339 WeakPolarHBondContact O-CA 3.5Å; Y336-K339 WeakPolarHBondContact O-CB 3.06Å; Y336-K339 PolarHBondContact O-N 2.95Å; S337-K339 PolarHBondContact O-N 3.1Å; K339-E341 VanDerWaalsContact C-N 3.25Å; K339-E341 PolarHBondContact O-N 3.35Å; K339-A342 PolarHBondContact O-N 3.15Å; K339-E343 WeakPolarHBondContact O-CB 3.19Å; K339-E343 PolarHBondContact O-N 2.83Å |
| 340 | L | 87.4 | Confident | 78.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 172.9 | -50.9 | -175.5 | 0 | 0 | 0 | 109.7 | R171 H285 Y336 S337 E343 A344 | R171-L340 VanDerWaalsContact NH2-CD2 3.34Å; H285-L340 HydrophobicContact CB-CD1 4.29Å; H285-L340 PolarHBondContact CE1-O 3.02Å; Y336-L340 HydrophobicContact CD1-CD1 4.27Å; Y336-L340 HydrophobicContact CD1-CD2 4.49Å; Y336-L340 HydrophobicContact CD1-CG 4.32Å; Y336-L340 HydrophobicContact CE1-CD1 4.31Å; Y336-L340 HydrophobicContact CE1-CD2 4.11Å; Y336-L340 HydrophobicContact CE1-CG 4.39Å; Y336-L340 PolarHBondContact O-N 2.81Å; S337-L340 CarbonylContact O-C 3.5Å; S337-L340 WeakPolarHBondContact O-CA 3.28Å; S337-L340 WeakPolarHBondContact O-CB 3.33Å; S337-L340 PolarHBondContact O-N 3.41Å; L340-E343 PolarHBondContact O-N 2.85Å; L340-A344 VanDerWaalsContact O-CB 3.32Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 3.09Å |
| 341 | E | 86.9 | Confident | 80.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 173.9 | -59 | -32.7 | 121.5 | 0 | 0 | 113.4 | H276 H280 S337 K339 E343 A344 D345 H388 | H276-E341 IonicContact CE1-OE2 2.77Å; H276-E341 PolarHBondContact CE1-OE2 3.05Å; H276-E341 IonicContact NE2-OE2 3.51Å; H276-E341 PolarHBondContact NE2-OE2 2.89Å; H280-E341 IonicContact CE1-OE1 3.87Å; H280-E341 PolarHBondContact CE1-OE1 3.5Å; H280-E341 IonicContact CE1-OE2 2.35Å; H280-E341 PolarHBondContact CE1-OE2 3.27Å; H280-E341 IonicContact NE2-OE1 3.95Å; H280-E341 IonicContact NE2-OE2 3.6Å; H280-E341 PolarHBondContact NE2-OE2 3.03Å; S337-E341 WeakPolarHBondContact O-CG 3.5Å; S337-E341 PolarHBondContact O-N 3.17Å; K339-E341 VanDerWaalsContact C-N 3.25Å; K339-E341 PolarHBondContact O-N 3.35Å; E341-E343 PolarHBondContact O-N 2.99Å; E341-A344 PolarHBondContact O-N 2.9Å; E341-D345 VanDerWaalsContact O-CB 3.27Å; E341-D345 WeakPolarHBondContact O-CB 3.33Å; E341-D345 PolarHBondContact O-N 3.49Å; E341-H388 HydrophobicContact CG-CB 4.34Å; E341-H388 WeakPolarHBondContact CG-ND1 3.48Å; E341-H388 IonicContact OE1-CE1 2.68Å; E341-H388 IonicContact OE1-NE2 3.8Å; E341-H388 IonicContact OE2-CE1 3.37Å; E341-H388 PolarHBondContact OE2-CE1 3.19Å; E341-H388 IonicContact OE2-CG 3.94Å; E341-H388 IonicContact OE2-ND1 2.73Å; E341-H388 PolarHBondContact OE2-ND1 3.3Å; E341-H388 IonicContact OE2-NE2 3.59Å |
| 342 | A | 88.8 | Confident | 83.2 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -32.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R338 K339 Q346 Q397 | R338-A342 VanDerWaalsContact O-CB 3.3Å; R338-A342 WeakPolarHBondContact O-CB 3.15Å; R338-A342 PolarHBondContact O-N 2.88Å; K339-A342 PolarHBondContact O-N 3.15Å; A342-Q346 WeakPolarHBondContact O-CB 3.44Å; A342-Q346 PolarHBondContact O-N 3.01Å; A342-Q397 VanDerWaalsContact CA-NE2 3.26Å; A342-Q397 VanDerWaalsContact CB-NE2 3.26Å; A342-Q397 PolarHBondContact O-NE2 2.91Å |
| 343 | E | 92.7 | Very high | 85.5 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -81.5 | -41.7 | 179 | -168.7 | 173.2 | -137.2 | 0 | 0 | 112.3 | T169 R171 L283 H285 K339 L340 E341 Q346 V347 | T169-E343 VanDerWaalsContact CB-OE1 3.23Å; T169-E343 WeakPolarHBondContact CB-OE1 3.43Å; T169-E343 HydrophobicContact CG2-CG 3.86Å; T169-E343 WeakPolarHBondContact CG2-OE1 3.39Å; T169-E343 PolarHBondContact OG1-OE1 3.37Å; R171-E343 WeakPolarHBondContact CB-OE1 3.34Å; R171-E343 IonicContact CZ-OE2 2.96Å; R171-E343 IonicContact NE-OE1 3.87Å; R171-E343 PolarHBondContact NE-OE1 3.41Å; R171-E343 IonicContact NE-OE2 3.84Å; R171-E343 PolarHBondContact NE-OE2 3.42Å; R171-E343 IonicContact NH2-OE2 2.75Å; R171-E343 PolarHBondContact NH2-OE2 3.49Å; L283-E343 HydrophobicContact CD1-CG 3.94Å; H285-E343 IonicContact CE1-OE2 3.29Å; H285-E343 IonicContact NE2-OE2 2.79Å; H285-E343 PolarHBondContact NE2-OE2 2.98Å; H285-E343 VanDerWaalsContact NE2-OE2 3.12Å; K339-E343 WeakPolarHBondContact O-CB 3.19Å; K339-E343 PolarHBondContact O-N 2.83Å; L340-E343 PolarHBondContact O-N 2.85Å; E341-E343 PolarHBondContact O-N 2.99Å; E343-Q346 PolarHBondContact O-N 3.37Å; E343-V347 WeakPolarHBondContact O-CB 3.3Å; E343-V347 WeakPolarHBondContact O-CG2 3.49Å; E343-V347 PolarHBondContact O-N 3.3Å |
| 344 | A | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.2 | -31.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | H276 A279 L340 E341 G348 | H276-A344 VanDerWaalsContact CE1-CB 3.49Å; H276-A344 WeakPolarHBondContact CE1-CB 3.47Å; H276-A344 VanDerWaalsContact ND1-C 3.3Å; H276-A344 WeakPolarHBondContact ND1-CB 3.31Å; H276-A344 PolarHBondContact ND1-O 3.31Å; A279-A344 HydrophobicContact CB-CB 4.09Å; L340-A344 VanDerWaalsContact O-CB 3.32Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 3.09Å; E341-A344 PolarHBondContact O-N 2.9Å; A344-G348 WeakPolarHBondContact O-CA 3.49Å; A344-G348 PolarHBondContact O-N 3.46Å |
| 345 | D | 93.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 166.7 | -87.5 | -30.1 | 0 | 0 | 0 | 110.4 | H276 E341 L349 R394 M398 | H276-D345 IonicContact ND1-OD1 3.66Å; E341-D345 VanDerWaalsContact O-CB 3.27Å; E341-D345 WeakPolarHBondContact O-CB 3.33Å; E341-D345 PolarHBondContact O-N 3.49Å; D345-L349 VanDerWaalsContact O-CB 3.24Å; D345-L349 WeakPolarHBondContact O-CB 3.43Å; D345-L349 PolarHBondContact O-N 3.09Å; D345-R394 VanDerWaalsContact CG-NH2 3.28Å; D345-R394 IonicContact OD1-CZ 3.21Å; D345-R394 IonicContact OD1-NE 2.78Å; D345-R394 IonicContact OD1-NH2 3.5Å; D345-R394 PolarHBondContact OD1-NH2 2.82Å; D345-R394 IonicContact OD2-CZ 3.99Å; D345-R394 IonicContact OD2-NE 1.88Å; D345-R394 PolarHBondContact OD2-NE 3.22Å; D345-R394 IonicContact OD2-NH2 2.72Å; D345-R394 PolarHBondContact OD2-NH2 2.89Å; D345-M398 HydrophobicContact CB-CE 3.81Å; D345-M398 HydrophobicContact CB-SD 4.42Å; D345-M398 WeakPolarHBondContact OD1-CE 3.41Å |
| 346 | Q | 95.2 | Very high | 91.5 | Very high | 75 Ų | 75 | 25.7 Ų | 25.7 | 35% | 0.35 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67.5 | -53.3 | -179.8 | -179.8 | -177.5 | -35 | 0 | 0 | 112.7 | A342 E343 L349 H350 L401 | A342-Q346 WeakPolarHBondContact O-CB 3.44Å; A342-Q346 PolarHBondContact O-N 3.01Å; E343-Q346 PolarHBondContact O-N 3.37Å; Q346-L349 PolarHBondContact O-N 3Å; Q346-H350 PolarHBondContact O-CD2 3.38Å; Q346-H350 VanDerWaalsContact O-CD2 3.23Å; Q346-H350 PolarHBondContact O-N 3.35Å; Q346-H350 VanDerWaalsContact O-N 3.09Å; Q346-L401 HydrophobicContact CB-CD1 3.96Å; Q346-L401 HydrophobicContact CG-CD1 4.34Å; Q346-L401 HydrophobicContact CG-CD2 4.29Å |
| 347 | V | 96.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 5% | 0.048 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.3 | 173 | 0 | 0 | 0 | 0 | 110.2 | V168 T169 A279 I282 L283 E343 L349 H350 L351 | V168-V347 HydrophobicContact CG1-CG1 4.1Å; V168-V347 HydrophobicContact CG1-CG2 4.17Å; T169-V347 HydrophobicContact CG2-CG2 3.58Å; A279-V347 HydrophobicContact CB-CB 3.9Å; A279-V347 HydrophobicContact CB-CG1 3.78Å; I282-V347 HydrophobicContact CD1-CG1 4.15Å; L283-V347 HydrophobicContact CD1-CB 4.26Å; L283-V347 HydrophobicContact CD1-CG2 4.13Å; E343-V347 WeakPolarHBondContact O-CB 3.3Å; E343-V347 WeakPolarHBondContact O-CG2 3.49Å; E343-V347 PolarHBondContact O-N 3.3Å; V347-L349 PolarHBondContact O-N 3.48Å; V347-H350 CarbonylContact O-C 3.53Å; V347-H350 WeakPolarHBondContact O-CA 3.47Å; V347-H350 WeakPolarHBondContact O-CB 3.29Å; V347-H350 PolarHBondContact O-N 2.83Å; V347-H350 VanDerWaalsContact O-N 3.08Å; V347-L351 HydrophobicContact CG1-CD1 4.35Å; V347-L351 HydrophobicContact CG1-CG 4.3Å; V347-L351 WeakPolarHBondContact O-CG 3.3Å; V347-L351 PolarHBondContact O-N 3.26Å |
| 348 | G | 96.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G275 A344 H350 L351 A352 | G275-G348 WeakPolarHBondContact O-CA 3.34Å; A344-G348 WeakPolarHBondContact O-CA 3.49Å; A344-G348 PolarHBondContact O-N 3.46Å; G348-H350 VanDerWaalsContact C-N 3.32Å; G348-H350 PolarHBondContact O-N 2.89Å; G348-L351 PolarHBondContact O-N 2.89Å; G348-A352 WeakPolarHBondContact O-CB 3.45Å; G348-A352 PolarHBondContact O-N 2.91Å |
| 349 | L | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 173.6 | -163.5 | 73.7 | 0 | 0 | 0 | 112.1 | D345 Q346 V347 A353 V359 M398 L401 I402 A405 | D345-L349 VanDerWaalsContact O-CB 3.24Å; D345-L349 WeakPolarHBondContact O-CB 3.43Å; D345-L349 PolarHBondContact O-N 3.09Å; Q346-L349 PolarHBondContact O-N 3Å; V347-L349 PolarHBondContact O-N 3.48Å; L349-A353 VanDerWaalsContact O-CB 3.28Å; L349-A353 WeakPolarHBondContact O-CB 3.39Å; L349-A353 PolarHBondContact O-N 2.91Å; L349-V359 HydrophobicContact CD1-CB 3.66Å; L349-V359 HydrophobicContact CD1-CG1 3.79Å; L349-V359 HydrophobicContact CG-CB 4.12Å; L349-V359 HydrophobicContact CG-CG1 4.01Å; L349-M398 HydrophobicContact CB-SD 3.97Å; L349-M398 HydrophobicContact CD1-CG 4.24Å; L349-M398 HydrophobicContact CD1-SD 3.69Å; L349-M398 HydrophobicContact CD2-CG 4.35Å; L349-M398 HydrophobicContact CD2-SD 3.75Å; L349-M398 HydrophobicContact CG-SD 4Å; L349-L401 HydrophobicContact CD2-CB 3.62Å; L349-I402 HydrophobicContact CD2-CD1 4.3Å; L349-A405 HydrophobicContact CD2-CB 3.7Å; L349-A405 HydrophobicContact CG-CB 3.91Å |
| 350 | H | 97.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 12.7 Ų | 12.7 | 19% | 0.185 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 174.4 | -71.5 | -166.4 | 0 | 0 | 0 | 112 | Q346 V347 G348 A353 K354 Q404 L408 | Q346-H350 PolarHBondContact O-CD2 3.38Å; Q346-H350 VanDerWaalsContact O-CD2 3.23Å; Q346-H350 PolarHBondContact O-N 3.35Å; Q346-H350 VanDerWaalsContact O-N 3.09Å; V347-H350 CarbonylContact O-C 3.53Å; V347-H350 WeakPolarHBondContact O-CA 3.47Å; V347-H350 WeakPolarHBondContact O-CB 3.29Å; V347-H350 PolarHBondContact O-N 2.83Å; V347-H350 VanDerWaalsContact O-N 3.08Å; G348-H350 VanDerWaalsContact C-N 3.32Å; G348-H350 PolarHBondContact O-N 2.89Å; H350-A353 PolarHBondContact O-N 3.25Å; H350-K354 WeakPolarHBondContact O-CG 3.5Å; H350-K354 PolarHBondContact O-N 3.29Å; H350-Q404 PolarHBondContact CE1-OE1 3.23Å; H350-Q404 PolarHBondContact NE2-OE1 2.85Å; H350-L408 HydrophobicContact CB-CD2 3.79Å |
| 351 | L | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.4 | -66 | 177 | 0 | 0 | 0 | 110.9 | L219 N223 I226 V229 M278 A279 I282 V347 G348 K354 A355 | L219-L351 HydrophobicContact CD2-CB 4.24Å; N223-L351 HydrophobicContact CB-CD2 3.75Å; N223-L351 PolarHBondContact ND2-O 2.72Å; N223-L351 WeakPolarHBondContact OD1-CD2 3.13Å; I226-L351 HydrophobicContact CD1-CD2 3.8Å; V229-L351 HydrophobicContact CG2-CD2 4.07Å; M278-L351 HydrophobicContact CB-CD1 4.05Å; A279-L351 HydrophobicContact CB-CD1 4.5Å; I282-L351 HydrophobicContact CD1-CD1 4.13Å; I282-L351 HydrophobicContact CD1-CD2 4.47Å; V347-L351 HydrophobicContact CG1-CD1 4.35Å; V347-L351 HydrophobicContact CG1-CG 4.3Å; V347-L351 WeakPolarHBondContact O-CG 3.3Å; V347-L351 PolarHBondContact O-N 3.26Å; G348-L351 PolarHBondContact O-N 2.89Å; L351-K354 PolarHBondContact O-N 3.05Å; L351-A355 VanDerWaalsContact O-CB 3.31Å; L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 3Å |
| 352 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I272 G348 A355 C356 A357 | I272-A352 HydrophobicContact CG1-CB 3.86Å; G348-A352 WeakPolarHBondContact O-CB 3.45Å; G348-A352 PolarHBondContact O-N 2.91Å; A352-A355 CarbonylContact O-C 3.54Å; A352-A355 PolarHBondContact O-N 3.38Å; A352-C356 PolarHBondContact O-N 3.45Å; A352-C356 VanDerWaalsContact O-N 3.14Å; A352-A357 HydrophobicContact CB-CB 4.28Å; A352-A357 PolarHBondContact O-N 3.46Å |
| 353 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59 | -50.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L349 H350 A355 C356 V359 A405 L408 R409 C414 | L349-A353 VanDerWaalsContact O-CB 3.28Å; L349-A353 WeakPolarHBondContact O-CB 3.39Å; L349-A353 PolarHBondContact O-N 2.91Å; H350-A353 PolarHBondContact O-N 3.25Å; A353-A355 PolarHBondContact O-N 3.33Å; A353-C356 WeakPolarHBondContact O-CA 3.44Å; A353-C356 PolarHBondContact O-N 3.33Å; A353-V359 HydrophobicContact CB-CG1 3.89Å; A353-A405 HydrophobicContact CB-CB 4.23Å; A353-A405 WeakPolarHBondContact CB-O 3.39Å; A353-L408 HydrophobicContact CB-CB 4.32Å; A353-L408 HydrophobicContact CB-CD2 4.17Å; A353-L408 HydrophobicContact CB-CG 4.33Å; A353-R409 HydrophobicContact CB-CG 4.06Å; A353-R409 WeakPolarHBondContact O-CG 3.45Å; A353-C414 PolarHBondContact O-SG 3.49Å |
| 354 | K | 98 | Very high | 96.5 | Very high | 18 Ų | 18 | 10.7 Ų | 10.7 | 8% | 0.078 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 177.8 | -68.7 | 175.1 | 54.8 | -168.7 | 0 | 112.2 | N223 D225 H350 L351 C356 L408 | N223-K354 WeakPolarHBondContact OD1-CB 3.45Å; N223-K354 WeakPolarHBondContact OD1-CD 3.49Å; N223-K354 WeakPolarHBondContact OD1-CE 3.49Å; N223-K354 PolarHBondContact OD1-NZ 3.36Å; D225-K354 WeakPolarHBondContact OD1-CE 3.26Å; D225-K354 IonicContact OD1-NZ 2.93Å; D225-K354 PolarHBondContact OD1-NZ 1.88Å; D225-K354 IonicContact OD2-NZ 3.78Å; D225-K354 PolarHBondContact OD2-NZ 3.5Å; H350-K354 WeakPolarHBondContact O-CG 3.5Å; H350-K354 PolarHBondContact O-N 3.29Å; L351-K354 PolarHBondContact O-N 3.05Å; K354-C356 PolarHBondContact O-N 3.08Å; K354-L408 HydrophobicContact CD-CD1 4.35Å; K354-L408 HydrophobicContact CD-CD2 4.13Å; K354-L408 HydrophobicContact CD-CG 4.44Å; K354-L408 HydrophobicContact CG-CD1 4.04Å; K354-L408 HydrophobicContact CG-CD2 3.79Å; K354-L408 HydrophobicContact CG-CG 3.78Å |
| 355 | A | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 3% | 0.025 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 2.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L218 L219 R222 M271 L351 A352 A353 | L218-A355 HydrophobicContact CG-CB 4.47Å; L219-A355 HydrophobicContact CD2-CB 3.78Å; L219-A355 HydrophobicContact CG-CB 4.31Å; R222-A355 HydrophobicContact CB-CB 4.02Å; R222-A355 HydrophobicContact CG-CB 4.36Å; M271-A355 HydrophobicContact CE-CB 3.42Å; M271-A355 VanDerWaalsContact CE-CB 3.42Å; L351-A355 VanDerWaalsContact O-CB 3.31Å; L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 3Å; A352-A355 CarbonylContact O-C 3.54Å; A352-A355 PolarHBondContact O-N 3.38Å; A353-A355 PolarHBondContact O-N 3.33Å |
| 356 | C | 97.8 | Very high | 96.2 | Very high | 26 Ų | 26 | 10.8 Ų | 10.8 | 18% | 0.176 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 27.2 | 177.3 | -52 | 0 | 0 | 0 | 0 | 116 | R222 A352 A353 K354 R409 C414 | R222-C356 PolarHBondContact NH1-SG 3.4Å; A352-C356 PolarHBondContact O-N 3.45Å; A352-C356 VanDerWaalsContact O-N 3.14Å; A353-C356 WeakPolarHBondContact O-CA 3.44Å; A353-C356 PolarHBondContact O-N 3.33Å; K354-C356 PolarHBondContact O-N 3.08Å; C356-R409 PolarHBondContact O-NH1 3.41Å; C356-C414 WeakPolarHBondContact CA-SG 3.39Å; C356-C414 HydrophobicContact CB-CB 3.63Å; C356-C414 WeakPolarHBondContact CB-SG 3.24Å; C356-C414 WeakPolarHBondContact SG-CA 3.33Å; C356-C414 WeakPolarHBondContact SG-CB 3.49Å; C356-C414 CovalentContact SG-SG 2.04Å; C356-C414 PolarHBondContact SG-SG 3.12Å |
| 357 | A | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.017 | 5% | 0.049 | C | C | . | . | trans | -79.5 | 145.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112.4 | D268 M271 A352 V359 R409 | D268-A357 WeakPolarHBondContact OD1-CA 3.24Å; M271-A357 HydrophobicContact CB-CB 3.55Å; M271-A357 HydrophobicContact CG-CB 4.12Å; A352-A357 HydrophobicContact CB-CB 4.28Å; A352-A357 PolarHBondContact O-N 3.46Å; A357-V359 PolarHBondContact O-N 3.47Å; A357-R409 PolarHBondContact O-NH1 3.33Å | ||
| 358 | D | 97.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 7% | 0.07 | 6% | 0.058 | C | C | . | . | trans | -70.6 | 89.8 | 176.2 | -169.2 | -6.1 | 0 | 0 | 0 | 111.4 | D268 R360 A361 L417 | D268-D358 HydrophobicContact CB-CB 4.08Å; D268-D358 VanDerWaalsContact CG-N 3.27Å; D268-D358 PolarHBondContact OD1-N 2.95Å; D358-R360 PolarHBondContact O-N 3.2Å; D358-R360 WeakPolarHBondContact OD1-CB 3.46Å; D358-R360 VanDerWaalsContact OD1-CG 3.23Å; D358-R360 WeakPolarHBondContact OD1-CG 3.48Å; D358-R360 IonicContact OD1-CZ 3.85Å; D358-R360 PolarHBondContact OD1-N 3.06Å; D358-R360 IonicContact OD1-NE 3.33Å; D358-R360 PolarHBondContact OD1-NE 3.44Å; D358-R360 IonicContact OD1-NH2 3.95Å; D358-R360 IonicContact OD2-CZ 3.25Å; D358-R360 VanDerWaalsContact OD2-CZ 3.25Å; D358-R360 IonicContact OD2-NE 3.44Å; D358-R360 PolarHBondContact OD2-NE 3.03Å; D358-R360 IonicContact OD2-NH2 2.67Å; D358-R360 PolarHBondContact OD2-NH2 3.06Å; D358-A361 VanDerWaalsContact O-CB 3.25Å; D358-A361 WeakPolarHBondContact O-CB 3.46Å; D358-A361 PolarHBondContact O-N 3.17Å; D358-L417 HydrophobicContact CB-CD2 3.62Å; D358-L417 WeakPolarHBondContact OD1-CD1 3.47Å | ||
| 359 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -23.5 | 177 | -67 | 0 | 0 | 0 | 0 | 114.6 | L349 A353 A357 A361 G362 P363 I402 A405 L406 | L349-V359 HydrophobicContact CD1-CB 3.66Å; L349-V359 HydrophobicContact CD1-CG1 3.79Å; L349-V359 HydrophobicContact CG-CB 4.12Å; L349-V359 HydrophobicContact CG-CG1 4.01Å; A353-V359 HydrophobicContact CB-CG1 3.89Å; A357-V359 PolarHBondContact O-N 3.47Å; V359-A361 PolarHBondContact O-N 2.7Å; V359-G362 PolarHBondContact O-N 2.94Å; V359-G362 VanDerWaalsContact O-N 3.13Å; V359-P363 WeakPolarHBondContact O-CD 3.43Å; V359-I402 HydrophobicContact CB-CD1 4.16Å; V359-I402 HydrophobicContact CG2-CD1 4.25Å; V359-I402 WeakPolarHBondContact O-CD1 3.19Å; V359-A405 HydrophobicContact CB-CB 4.15Å; V359-A405 HydrophobicContact CG1-CB 4.06Å; V359-A405 HydrophobicContact CG2-CB 3.92Å; V359-L406 HydrophobicContact CG2-CD2 3.85Å; V359-L406 HydrophobicContact CG2-CG 4.22Å |
| 360 | R | 97.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 13.6 Ų | 13.6 | 8% | 0.083 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.9 | 175 | -55.4 | 175.3 | -61.3 | 172.7 | 8 | 112.6 | D358 G362 I402 S418 V420 P422 R423 | D358-R360 PolarHBondContact O-N 3.2Å; D358-R360 WeakPolarHBondContact OD1-CB 3.46Å; D358-R360 VanDerWaalsContact OD1-CG 3.23Å; D358-R360 WeakPolarHBondContact OD1-CG 3.48Å; D358-R360 IonicContact OD1-CZ 3.85Å; D358-R360 PolarHBondContact OD1-N 3.06Å; D358-R360 IonicContact OD1-NE 3.33Å; D358-R360 PolarHBondContact OD1-NE 3.44Å; D358-R360 IonicContact OD1-NH2 3.95Å; D358-R360 IonicContact OD2-CZ 3.25Å; D358-R360 VanDerWaalsContact OD2-CZ 3.25Å; D358-R360 IonicContact OD2-NE 3.44Å; D358-R360 PolarHBondContact OD2-NE 3.03Å; D358-R360 IonicContact OD2-NH2 2.67Å; D358-R360 PolarHBondContact OD2-NH2 3.06Å; R360-G362 VanDerWaalsContact C-N 3.33Å; R360-I402 HydrophobicContact CG-CG2 4.14Å; R360-S418 PolarHBondContact NH1-O 3.46Å; R360-S418 PolarHBondContact NH2-O 3.41Å; R360-V420 PolarHBondContact NH1-O 3.13Å; R360-V420 PolarHBondContact NH2-O 2.96Å; R360-V420 VanDerWaalsContact NH2-O 3.17Å; R360-P422 HydrophobicContact CB-CG 3.63Å; R360-R423 VanDerWaalsContact O-CG 3.26Å; R360-R423 WeakPolarHBondContact O-CG 3.23Å |
| 361 | A | 96.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 3% | 0.025 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -73.2 | -21 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D268 Q269 I272 D358 V359 V364 F365 | D268-A361 HydrophobicContact CB-CB 4.08Å; Q269-A361 HydrophobicContact CG-CB 3.76Å; I272-A361 HydrophobicContact CD1-CB 4.28Å; D358-A361 VanDerWaalsContact O-CB 3.25Å; D358-A361 WeakPolarHBondContact O-CB 3.46Å; D358-A361 PolarHBondContact O-N 3.17Å; V359-A361 PolarHBondContact O-N 2.7Å; A361-V364 WeakPolarHBondContact O-CB 3.49Å; A361-V364 PolarHBondContact O-N 3.23Å; A361-V364 VanDerWaalsContact O-N 3.15Å; A361-F365 PolarHBondContact O-N 2.64Å |
| 362 | G | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.6 | -50.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I272 V359 R360 V364 F365 W366 | I272-G362 VanDerWaalsContact CD1-N 3.3Å; V359-G362 PolarHBondContact O-N 2.94Å; V359-G362 VanDerWaalsContact O-N 3.13Å; R360-G362 VanDerWaalsContact C-N 3.33Å; G362-V364 PolarHBondContact O-N 3.13Å; G362-F365 PolarHBondContact O-N 3.01Å; G362-W366 VanDerWaalsContact O-CD1 3.23Å; G362-W366 PolarHBondContact O-N 3.36Å |
| 363 | P | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.6 | -32.6 | 170.4 | -25.8 | 33.8 | 0 | 0 | 0 | 113.4 | V359 Q367 M398 D399 I402 R423 | V359-P363 WeakPolarHBondContact O-CD 3.43Å; P363-Q367 VanDerWaalsContact O-CG 3.27Å; P363-Q367 WeakPolarHBondContact O-CG 3.41Å; P363-Q367 PolarHBondContact O-N 3.25Å; P363-M398 HydrophobicContact CG-CB 4Å; P363-M398 HydrophobicContact CG-CG 3.89Å; P363-D399 WeakPolarHBondContact CG-OD1 3.44Å; P363-I402 HydrophobicContact CG-CD1 4.01Å; P363-I402 HydrophobicContact CG-CG1 4.16Å; P363-R423 HydrophobicContact CB-CG 4.36Å |
| 364 | V | 94.1 | Very high | 90.6 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.1 | -46 | 178 | -178 | 0 | 0 | 0 | 0 | 111.3 | A361 G362 W366 Q367 Q368 P422 R423 F426 | A361-V364 WeakPolarHBondContact O-CB 3.49Å; A361-V364 PolarHBondContact O-N 3.23Å; A361-V364 VanDerWaalsContact O-N 3.15Å; G362-V364 PolarHBondContact O-N 3.13Å; V364-W366 PolarHBondContact O-N 3.32Å; V364-Q367 CarbonylContact O-C 3.5Å; V364-Q367 PolarHBondContact O-N 2.69Å; V364-Q367 VanDerWaalsContact O-N 3.1Å; V364-Q368 HydrophobicContact CG1-CG 4.34Å; V364-Q368 WeakPolarHBondContact O-CG 3.21Å; V364-Q368 PolarHBondContact O-N 2.76Å; V364-Q368 PolarHBondContact O-OE1 2.88Å; V364-P422 HydrophobicContact CG2-CB 4.33Å; V364-R423 HydrophobicContact CG2-CB 4.21Å; V364-R423 HydrophobicContact CG2-CG 3.68Å; V364-F426 HydrophobicContact CG1-CB 3.75Å; V364-F426 HydrophobicContact CG1-CD1 4.25Å; V364-F426 HydrophobicContact CG1-CD2 3.7Å; V364-F426 HydrophobicContact CG1-CE2 4.36Å; V364-F426 HydrophobicContact CG1-CG 3.62Å; V364-F426 HydrophobicContact CG2-CB 4.24Å |
| 365 | F | 91.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 177.3 | 176.7 | -104.4 | 0 | 0 | 0 | 112.2 | M260 V264 Q269 V273 A361 G362 Q367 Q368 L369 | M260-F365 HydrophobicContact CE-CZ 4.45Å; M260-F365 HydrophobicContact SD-CE2 4.25Å; M260-F365 HydrophobicContact SD-CZ 3.83Å; V264-F365 HydrophobicContact CG1-CD2 4.03Å; V264-F365 HydrophobicContact CG1-CE2 3.66Å; V264-F365 HydrophobicContact CG1-CZ 4.45Å; Q269-F365 HydrophobicContact CG-CB 4.22Å; V273-F365 HydrophobicContact CG2-CD1 3.98Å; V273-F365 HydrophobicContact CG2-CD2 4.48Å; V273-F365 HydrophobicContact CG2-CE1 3.51Å; V273-F365 HydrophobicContact CG2-CE2 4.06Å; V273-F365 HydrophobicContact CG2-CG 4.44Å; V273-F365 HydrophobicContact CG2-CZ 3.54Å; A361-F365 PolarHBondContact O-N 2.64Å; G362-F365 PolarHBondContact O-N 3.01Å; F365-Q367 VanDerWaalsContact C-N 3.34Å; F365-Q367 PolarHBondContact O-N 3.1Å; F365-Q368 WeakPolarHBondContact O-CB 3.41Å; F365-Q368 PolarHBondContact O-N 2.95Å; F365-L369 HydrophobicContact CD1-CD1 4.33Å; F365-L369 HydrophobicContact CE1-CD1 3.61Å; F365-L369 HydrophobicContact CE1-CG 4.39Å; F365-L369 HydrophobicContact CE2-CD1 4.37Å; F365-L369 HydrophobicContact CE2-CG 4.44Å; F365-L369 HydrophobicContact CZ-CD1 3.64Å; F365-L369 HydrophobicContact CZ-CG 4.19Å; F365-L369 PolarHBondContact O-N 2.78Å |
| 366 | W | 87.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -37 | 176.5 | -65.4 | 121.3 | 0 | 0 | 0 | 112.7 | G362 V364 L369 E370 W384 L385 H391 R394 | G362-W366 VanDerWaalsContact O-CD1 3.23Å; G362-W366 PolarHBondContact O-N 3.36Å; V364-W366 PolarHBondContact O-N 3.32Å; W366-L369 HydrophobicContact CE3-CD1 3.95Å; W366-L369 HydrophobicContact CZ3-CD1 3.82Å; W366-L369 PolarHBondContact O-N 3.39Å; W366-E370 PolarHBondContact O-N 2.83Å; W366-W384 AromaticContact CH2-CH2 3.78Å; W366-W384 HydrophobicContact CH2-CH2 3.78Å; W366-W384 AromaticContact CH2-CZ3 3.98Å; W366-W384 HydrophobicContact CH2-CZ3 3.98Å; W366-W384 HydrophobicContact CZ3-CH2 4.32Å; W366-L385 HydrophobicContact CH2-CD1 4.17Å; W366-L385 HydrophobicContact CZ3-CD1 3.82Å; W366-L385 HydrophobicContact CZ3-CD2 4.46Å; W366-H391 AromaticContact CE3-ND1 3.91Å; W366-H391 WeakPolarHBondContact O-CB 3.41Å; W366-R394 HydrophobicContact CD2-CB 4.33Å; W366-R394 HydrophobicContact CG-CB 4.16Å |
| 367 | Q | 89.3 | Confident | 86.6 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.6 | -31 | 174.8 | -68.6 | 172.9 | 15.6 | 0 | 0 | 112.8 | P363 V364 F365 E370 I371 S395 F426 | P363-Q367 VanDerWaalsContact O-CG 3.27Å; P363-Q367 WeakPolarHBondContact O-CG 3.41Å; P363-Q367 PolarHBondContact O-N 3.25Å; V364-Q367 CarbonylContact O-C 3.5Å; V364-Q367 PolarHBondContact O-N 2.69Å; V364-Q367 VanDerWaalsContact O-N 3.1Å; F365-Q367 VanDerWaalsContact C-N 3.34Å; F365-Q367 PolarHBondContact O-N 3.1Å; Q367-E370 PolarHBondContact O-N 2.98Å; Q367-I371 WeakPolarHBondContact O-CG1 3.38Å; Q367-I371 PolarHBondContact O-N 2.97Å; Q367-I371 VanDerWaalsContact O-N 3.16Å; Q367-S395 PolarHBondContact NE2-OG 3.49Å; Q367-F426 HydrophobicContact CB-CD1 4.33Å; Q367-F426 HydrophobicContact CB-CE1 3.46Å; Q367-F426 VanDerWaalsContact CB-CE1 3.46Å; Q367-F426 HydrophobicContact CB-CZ 3.86Å; Q367-F426 HydrophobicContact CG-CE1 4.39Å; Q367-F426 VanDerWaalsContact OE1-CE1 3.23Å |
| 368 | Q | 88.4 | Confident | 84.6 | Confident | 50 Ų | 50 | 41 Ų | 41 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -48.3 | 172.5 | -75 | 165.4 | -62.1 | 0 | 0 | 110.8 | V364 F365 E370 I371 V372 F426 | V364-Q368 HydrophobicContact CG1-CG 4.34Å; V364-Q368 WeakPolarHBondContact O-CG 3.21Å; V364-Q368 PolarHBondContact O-N 2.76Å; V364-Q368 PolarHBondContact O-OE1 2.88Å; F365-Q368 WeakPolarHBondContact O-CB 3.41Å; F365-Q368 PolarHBondContact O-N 2.95Å; Q368-E370 VanDerWaalsContact C-N 3.32Å; Q368-E370 PolarHBondContact O-N 3.11Å; Q368-I371 WeakPolarHBondContact O-CB 3.42Å; Q368-I371 PolarHBondContact O-N 2.95Å; Q368-V372 WeakPolarHBondContact O-CG2 3.39Å; Q368-V372 PolarHBondContact O-N 3.14Å; Q368-F426 HydrophobicContact CG-CD2 4.14Å; Q368-F426 HydrophobicContact CG-CE2 3.43Å; Q368-F426 VanDerWaalsContact CG-CE2 3.43Å; Q368-F426 HydrophobicContact CG-CZ 3.98Å |
| 369 | L | 83.9 | Confident | 82.6 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 174.4 | -66.3 | -179.2 | 0 | 0 | 0 | 112.3 | I244 F365 W366 I371 V372 D373 L385 H391 | I244-L369 HydrophobicContact CG2-CD2 4.47Å; F365-L369 HydrophobicContact CD1-CD1 4.33Å; F365-L369 HydrophobicContact CE1-CD1 3.61Å; F365-L369 HydrophobicContact CE1-CG 4.39Å; F365-L369 HydrophobicContact CE2-CD1 4.37Å; F365-L369 HydrophobicContact CE2-CG 4.44Å; F365-L369 HydrophobicContact CZ-CD1 3.64Å; F365-L369 HydrophobicContact CZ-CG 4.19Å; F365-L369 PolarHBondContact O-N 2.78Å; W366-L369 HydrophobicContact CE3-CD1 3.95Å; W366-L369 HydrophobicContact CZ3-CD1 3.82Å; W366-L369 PolarHBondContact O-N 3.39Å; L369-I371 PolarHBondContact O-N 2.94Å; L369-V372 PolarHBondContact O-N 3.32Å; L369-D373 PolarHBondContact O-N 2.99Å; L369-L385 HydrophobicContact CD1-CD2 4.44Å; L369-H391 WeakPolarHBondContact CB-CE1 3.28Å |
| 370 | E | 83.5 | Confident | 80.4 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -25.9 | 173.6 | -154.8 | -166.2 | 147.4 | 0 | 0 | 113.2 | W366 Q367 Q368 K374 H391 R392 | W366-E370 PolarHBondContact O-N 2.83Å; Q367-E370 PolarHBondContact O-N 2.98Å; Q368-E370 VanDerWaalsContact C-N 3.32Å; Q368-E370 PolarHBondContact O-N 3.11Å; E370-K374 VanDerWaalsContact CD-NZ 3.31Å; E370-K374 WeakPolarHBondContact O-CD 3.31Å; E370-K374 WeakPolarHBondContact O-CE 3.43Å; E370-K374 VanDerWaalsContact O-CG 3.24Å; E370-K374 WeakPolarHBondContact O-CG 3.32Å; E370-K374 WeakPolarHBondContact OE1-CE 3.05Å; E370-K374 IonicContact OE1-NZ 3.67Å; E370-K374 PolarHBondContact OE1-NZ 3.35Å; E370-H391 HydrophobicContact CB-CB 3.72Å; E370-H391 HydrophobicContact CG-CB 3.98Å; E370-R392 VanDerWaalsContact OE2-CA 3.27Å; E370-R392 WeakPolarHBondContact OE2-CA 3.45Å; E370-R392 WeakPolarHBondContact OE2-CB 3.35Å; E370-R392 PolarHBondContact OE2-N 2.91Å |
| 371 | I | 83.1 | Confident | 78.2 | Confident | 57 Ų | 57 | 49 Ų | 49 | 29% | 0.292 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -82.7 | -42.5 | 174 | -69.2 | 176 | 0 | 0 | 0 | 110.6 | Q367 Q368 L369 K374 L375 F426 V430 | Q367-I371 WeakPolarHBondContact O-CG1 3.38Å; Q367-I371 PolarHBondContact O-N 2.97Å; Q367-I371 VanDerWaalsContact O-N 3.16Å; Q368-I371 WeakPolarHBondContact O-CB 3.42Å; Q368-I371 PolarHBondContact O-N 2.95Å; L369-I371 PolarHBondContact O-N 2.94Å; I371-K374 PolarHBondContact O-N 3.1Å; I371-L375 HydrophobicContact CG2-CD1 3.68Å; I371-L375 HydrophobicContact CG2-CG 4.25Å; I371-L375 WeakPolarHBondContact O-CG 3.17Å; I371-L375 PolarHBondContact O-N 3.46Å; I371-L375 VanDerWaalsContact O-N 3.09Å; I371-F426 HydrophobicContact CD1-CE2 4.46Å; I371-F426 HydrophobicContact CD1-CZ 3.72Å; I371-V430 HydrophobicContact CD1-CG1 4.09Å; I371-V430 HydrophobicContact CD1-CG2 3.66Å |
| 372 | V | 80 | Confident | 76.1 | Confident | 52 Ų | 52 | 49 Ų | 49 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.5 | -53.5 | 177.3 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | Q368 L369 K374 L375 T376 | Q368-V372 WeakPolarHBondContact O-CG2 3.39Å; Q368-V372 PolarHBondContact O-N 3.14Å; L369-V372 PolarHBondContact O-N 3.32Å; V372-K374 PolarHBondContact O-N 3.43Å; V372-K374 VanDerWaalsContact O-N 3.17Å; V372-L375 PolarHBondContact O-N 2.92Å; V372-T376 HydrophobicContact CG1-CG2 3.98Å; V372-T376 PolarHBondContact O-N 3.42Å; V372-T376 PolarHBondContact O-OG1 2.85Å |
| 373 | D | 75.4 | Confident | 73.5 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.6 | -33.7 | 179.2 | -85.5 | 3.6 | 0 | 0 | 0 | 113.5 | L369 T376 G377 T380 H391 | L369-D373 PolarHBondContact O-N 2.99Å; D373-T376 WeakPolarHBondContact CA-OG1 3.47Å; D373-T376 PolarHBondContact O-OG1 2.9Å; D373-G377 PolarHBondContact O-N 3.4Å; D373-T380 WeakPolarHBondContact OD1-CA 3.13Å; D373-T380 WeakPolarHBondContact OD1-CB 3.23Å; D373-T380 PolarHBondContact OD1-N 2.85Å; D373-T380 PolarHBondContact OD1-OG1 2.93Å; D373-H391 IonicContact OD1-NE2 2.73Å; D373-H391 PolarHBondContact OD1-NE2 3Å; D373-H391 IonicContact OD2-CD2 2.74Å; D373-H391 IonicContact OD2-NE2 2.98Å; D373-H391 PolarHBondContact OD2-NE2 2.98Å |
| 374 | K | 77.4 | Confident | 71.3 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -76.5 | -25.9 | 177.6 | -72.5 | 171.7 | -167.7 | 156.7 | 0 | 113.3 | E370 I371 V372 | E370-K374 VanDerWaalsContact CD-NZ 3.31Å; E370-K374 WeakPolarHBondContact O-CD 3.31Å; E370-K374 WeakPolarHBondContact O-CE 3.43Å; E370-K374 VanDerWaalsContact O-CG 3.24Å; E370-K374 WeakPolarHBondContact O-CG 3.32Å; E370-K374 WeakPolarHBondContact OE1-CE 3.05Å; E370-K374 IonicContact OE1-NZ 3.67Å; E370-K374 PolarHBondContact OE1-NZ 3.35Å; I371-K374 PolarHBondContact O-N 3.1Å; V372-K374 PolarHBondContact O-N 3.43Å; V372-K374 VanDerWaalsContact O-N 3.17Å |
| 375 | L | 76.9 | Confident | 68.9 | Low | 143 Ų | 143 | 57.8 Ų | 57.8 | 75% | 0.749 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -89.2 | -35.2 | 179.6 | -68.6 | 174.6 | 0 | 0 | 0 | 112.1 | I371 V372 | I371-L375 HydrophobicContact CG2-CD1 3.68Å; I371-L375 HydrophobicContact CG2-CG 4.25Å; I371-L375 WeakPolarHBondContact O-CG 3.17Å; I371-L375 PolarHBondContact O-N 3.46Å; I371-L375 VanDerWaalsContact O-N 3.09Å; V372-L375 PolarHBondContact O-N 2.92Å |
| 376 | T | 71.9 | Confident | 66.7 | Low | 62 Ų | 62 | 60.9 Ų | 60.9 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -76.6 | -25.7 | 177.9 | 53 | 0 | 0 | 0 | 0 | 112.8 | V372 D373 N378 T380 | V372-T376 HydrophobicContact CG1-CG2 3.98Å; V372-T376 PolarHBondContact O-N 3.42Å; V372-T376 PolarHBondContact O-OG1 2.85Å; D373-T376 WeakPolarHBondContact CA-OG1 3.47Å; D373-T376 PolarHBondContact O-OG1 2.9Å; T376-N378 PolarHBondContact O-N 3.31Å; T376-N378 PolarHBondContact OG1-O 3.45Å; T376-T380 HydrophobicContact CG2-CG2 4.4Å; T376-T380 PolarHBondContact OG1-OG1 3.43Å |
| 377 | G | 61.8 | Low | 64.6 | Low | 65 Ų | 65 | 62 Ų | 62 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 70.9 | -19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D373 | D373-G377 PolarHBondContact O-N 3.4Š|
| 378 | N | 56.2 | Low | 62.8 | Low | 121 Ų | 121 | 61.1 Ų | 61.1 | 65% | 0.647 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -94.8 | 132.4 | 163.9 | -61.8 | -71.1 | 0 | 0 | 0 | 107.9 | T376 T380 | T376-N378 PolarHBondContact O-N 3.31Å; T376-N378 PolarHBondContact OG1-O 3.45Å; N378-T380 PolarHBondContact O-N 2.86Å |
| 379 | P | 54.8 | Low | 61.2 | Low | 100 Ų | 100 | 59.9 Ų | 59.9 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | trans | -56.2 | 107.2 | 169.9 | -25 | 35.7 | 0 | 0 | 0 | 110.1 | V381 | P379-V381 HydrophobicContact CB-CG2 3.92Å; P379-V381 PolarHBondContact O-N 3.24Å | ||
| 380 | T | 51.5 | Low | 60.3 | Low | 49 Ų | 49 | 63 Ų | 63 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | trans | -82.5 | 43.7 | 175.5 | 16.2 | 0 | 0 | 0 | 0 | 109.8 | D373 T376 N378 P382 | D373-T380 WeakPolarHBondContact OD1-CA 3.13Å; D373-T380 WeakPolarHBondContact OD1-CB 3.23Å; D373-T380 PolarHBondContact OD1-N 2.85Å; D373-T380 PolarHBondContact OD1-OG1 2.93Å; T376-T380 HydrophobicContact CG2-CG2 4.4Å; T376-T380 PolarHBondContact OG1-OG1 3.43Å; N378-T380 PolarHBondContact O-N 2.86Å; T380-P382 WeakPolarHBondContact O-CD 3.39Å | ||
| 381 | V | 50.2 | Low | 59.7 | Low | 53 Ų | 53 | 62.1 Ų | 62.1 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | trans | -72 | 119.1 | 171.8 | -84.5 | 0 | 0 | 0 | 0 | 109.4 | P379 L385 | P379-V381 HydrophobicContact CB-CG2 3.92Å; P379-V381 PolarHBondContact O-N 3.24Å; V381-L385 HydrophobicContact CB-CB 4.31Å; V381-L385 HydrophobicContact CG1-CB 4.29Å; V381-L385 HydrophobicContact CG1-CD2 4.16Å; V381-L385 HydrophobicContact CG1-CG 4.1Å | ||
| 382 | P | 51.9 | Low | 59.1 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | trans | -45.6 | 162.9 | 157.3 | -16.4 | 4 | 0 | 0 | 0 | 114 | I244 T380 W384 L385 S386 | I244-P382 HydrophobicContact CG2-CG 4.36Å; I244-P382 WeakPolarHBondContact O-CB 3.48Å; I244-P382 WeakPolarHBondContact O-CG 3.37Å; T380-P382 WeakPolarHBondContact O-CD 3.39Å; P382-W384 VanDerWaalsContact C-N 3.3Å; P382-W384 HydrophobicContact CB-CD2 4.15Å; P382-W384 HydrophobicContact CB-CG 3.93Å; P382-W384 HydrophobicContact CB-CZ2 4.35Å; P382-W384 HydrophobicContact CG-CD2 4.38Å; P382-W384 HydrophobicContact CG-CZ2 3.79Å; P382-W384 PolarHBondContact O-N 3.33Å; P382-L385 HydrophobicContact CB-CB 3.89Å; P382-L385 HydrophobicContact CG-CB 3.59Å; P382-L385 HydrophobicContact CG-CD2 4.07Å; P382-L385 HydrophobicContact CG-CG 4.47Å; P382-L385 CarbonylContact O-C 3.55Å; P382-L385 PolarHBondContact O-N 3.47Å; P382-L385 VanDerWaalsContact O-N 3.11Å; P382-S386 PolarHBondContact O-N 3.31Å; P382-S386 PolarHBondContact O-OG 2.86Å | ||
| 383 | E | 39.8 | Very low | 59 | Low | 155 Ų | 155 | 70.4 Ų | 70.4 | 72% | 0.724 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32 | 178.3 | -168.1 | 162.1 | -170.8 | 0 | 0 | 112.7 | ||
| 384 | W | 47.6 | Very low | 59.3 | Low | 32 Ų | 32 | 69 Ų | 69 | 12% | 0.121 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -58.1 | 164.3 | 58.5 | -84.7 | 0 | 0 | 0 | 110.9 | N245 A246 M260 H276 W366 P382 S386 T387 H388 | N245-W384 PolarHBondContact OD1-NE1 2.96Å; A246-W384 PolarHBondContact O-NE1 2.83Å; M260-W384 HydrophobicContact CE-CZ2 3.69Å; H276-W384 AromaticContact CD2-CZ3 3.84Å; H276-W384 AromaticContact NE2-CZ3 3.9Å; W366-W384 AromaticContact CH2-CH2 3.78Å; W366-W384 HydrophobicContact CH2-CH2 3.78Å; W366-W384 AromaticContact CH2-CZ3 3.98Å; W366-W384 HydrophobicContact CH2-CZ3 3.98Å; W366-W384 HydrophobicContact CZ3-CH2 4.32Å; P382-W384 VanDerWaalsContact C-N 3.3Å; P382-W384 HydrophobicContact CB-CD2 4.15Å; P382-W384 HydrophobicContact CB-CG 3.93Å; P382-W384 HydrophobicContact CB-CZ2 4.35Å; P382-W384 HydrophobicContact CG-CD2 4.38Å; P382-W384 HydrophobicContact CG-CZ2 3.79Å; P382-W384 PolarHBondContact O-N 3.33Å; W384-S386 PolarHBondContact O-N 2.71Å; W384-T387 PolarHBondContact O-N 3.27Å; W384-H388 AromaticContact CE3-CE1 3.56Å; W384-H388 AromaticContact CE3-NE2 3.84Å; W384-H388 AromaticContact CZ3-CE1 3.98Å; W384-H388 PolarHBondContact O-CD2 2.96Å; W384-H388 PolarHBondContact O-NE2 3.44Å |
| 385 | L | 44.3 | Very low | 59.7 | Low | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -60.8 | -16.5 | -171.9 | -159.7 | 70.9 | 0 | 0 | 0 | 114.6 | W366 L369 V381 P382 T387 H388 H391 R394 | W366-L385 HydrophobicContact CH2-CD1 4.17Å; W366-L385 HydrophobicContact CZ3-CD1 3.82Å; W366-L385 HydrophobicContact CZ3-CD2 4.46Å; L369-L385 HydrophobicContact CD1-CD2 4.44Å; V381-L385 HydrophobicContact CB-CB 4.31Å; V381-L385 HydrophobicContact CG1-CB 4.29Å; V381-L385 HydrophobicContact CG1-CD2 4.16Å; V381-L385 HydrophobicContact CG1-CG 4.1Å; P382-L385 HydrophobicContact CB-CB 3.89Å; P382-L385 HydrophobicContact CG-CB 3.59Å; P382-L385 HydrophobicContact CG-CD2 4.07Å; P382-L385 HydrophobicContact CG-CG 4.47Å; P382-L385 CarbonylContact O-C 3.55Å; P382-L385 PolarHBondContact O-N 3.47Å; P382-L385 VanDerWaalsContact O-N 3.11Å; L385-T387 PolarHBondContact O-N 3.41Å; L385-H388 VanDerWaalsContact C-CD2 3.46Å; L385-H388 WeakPolarHBondContact CA-CD2 3.44Å; L385-H388 HydrophobicContact CD1-CB 3.88Å; L385-H388 HydrophobicContact CG-CB 4.38Å; L385-H388 WeakPolarHBondContact O-CB 3.22Å; L385-H388 PolarHBondContact O-CD2 3.16Å; L385-H388 PolarHBondContact O-N 3Å; L385-H388 VanDerWaalsContact O-N 3.09Å; L385-H391 WeakPolarHBondContact CD2-CE1 3.32Å; L385-R394 VanDerWaalsContact CD1-NH1 3.32Å |
| 386 | S | 44.1 | Very low | 60.2 | Low | 67 Ų | 67 | 57.3 Ų | 57.3 | 47% | 0.469 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -60 | -6.1 | 178.9 | -68.1 | 0 | 0 | 0 | 0 | 115.7 | P382 W384 | P382-S386 PolarHBondContact O-N 3.31Å; P382-S386 PolarHBondContact O-OG 2.86Å; W384-S386 PolarHBondContact O-N 2.71Å |
| 387 | T | 43.5 | Very low | 60.9 | Low | 27 Ų | 27 | 57.3 Ų | 57.3 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -112.8 | 0.1 | 177.1 | 73.3 | 0 | 0 | 0 | 0 | 114.9 | F332 S337 W384 L385 | F332-T387 HydrophobicContact CB-CG2 4.22Å; F332-T387 HydrophobicContact CD1-CG2 3.86Å; F332-T387 WeakPolarHBondContact O-CB 3.32Å; S337-T387 PolarHBondContact OG-O 3.01Å; S337-T387 VanDerWaalsContact OG-O 3.07Å; W384-T387 PolarHBondContact O-N 3.27Å; L385-T387 PolarHBondContact O-N 3.41Å |
| 388 | H | 52.4 | Low | 62.3 | Low | 32 Ų | 32 | 54.3 Ų | 54.3 | 15% | 0.148 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -92 | 158.5 | -160.7 | -68.3 | -130.7 | 0 | 0 | 0 | 113.1 | H280 E341 W384 L385 R394 | H280-H388 AromaticContact NE2-CE1 3.48Å; H280-H388 PolarHBondContact NE2-CE1 3.42Å; E341-H388 HydrophobicContact CG-CB 4.34Å; E341-H388 WeakPolarHBondContact CG-ND1 3.48Å; E341-H388 IonicContact OE1-CE1 2.68Å; E341-H388 IonicContact OE1-NE2 3.8Å; E341-H388 IonicContact OE2-CE1 3.37Å; E341-H388 PolarHBondContact OE2-CE1 3.19Å; E341-H388 IonicContact OE2-CG 3.94Å; E341-H388 IonicContact OE2-ND1 2.73Å; E341-H388 PolarHBondContact OE2-ND1 3.3Å; E341-H388 IonicContact OE2-NE2 3.59Å; W384-H388 AromaticContact CE3-CE1 3.56Å; W384-H388 AromaticContact CE3-NE2 3.84Å; W384-H388 AromaticContact CZ3-CE1 3.98Å; W384-H388 PolarHBondContact O-CD2 2.96Å; W384-H388 PolarHBondContact O-NE2 3.44Å; L385-H388 VanDerWaalsContact C-CD2 3.46Å; L385-H388 WeakPolarHBondContact CA-CD2 3.44Å; L385-H388 HydrophobicContact CD1-CB 3.88Å; L385-H388 HydrophobicContact CG-CB 4.38Å; L385-H388 WeakPolarHBondContact O-CB 3.22Å; L385-H388 PolarHBondContact O-CD2 3.16Å; L385-H388 PolarHBondContact O-N 3Å; L385-H388 VanDerWaalsContact O-N 3.09Å; H388-R394 PolarHBondContact ND1-NH1 3.48Å |
| 389 | P | 54.9 | Low | 64 | Low | 25 Ų | 25 | 50.9 Ų | 50.9 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 149.4 | 170.1 | 26.7 | -29.7 | 0 | 0 | 0 | 110.9 | R338 H391 R394 | R338-P389 HydrophobicContact CG-CB 4.09Å; R338-P389 HydrophobicContact CG-CG 4.19Å; P389-H391 PolarHBondContact O-N 2.95Å; P389-R394 HydrophobicContact CG-CG 3.94Å |
| 390 | S | 64.3 | Low | 65.9 | Low | 72 Ų | 72 | 55.9 Ų | 55.9 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 136.2 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | R392 N393 R394 | S390-R392 PolarHBondContact O-N 3.48Å; S390-N393 WeakPolarHBondContact O-CB 3.34Å; S390-N393 PolarHBondContact O-N 3.28Å; S390-N393 PolarHBondContact OG-ND2 3.01Å; S390-N393 VanDerWaalsContact OG-ND2 3.14Å; S390-R394 PolarHBondContact O-N 2.92Å |
| 391 | H | 70.9 | Confident | 68 | Low | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -45.3 | -40.4 | -172.8 | -54.2 | -90.2 | 0 | 0 | 0 | 114.2 | W366 L369 E370 D373 L385 P389 N393 R394 S395 | W366-H391 AromaticContact CE3-ND1 3.91Å; W366-H391 WeakPolarHBondContact O-CB 3.41Å; L369-H391 WeakPolarHBondContact CB-CE1 3.28Å; E370-H391 HydrophobicContact CB-CB 3.72Å; E370-H391 HydrophobicContact CG-CB 3.98Å; D373-H391 IonicContact OD1-NE2 2.73Å; D373-H391 PolarHBondContact OD1-NE2 3Å; D373-H391 IonicContact OD2-CD2 2.74Å; D373-H391 IonicContact OD2-NE2 2.98Å; D373-H391 PolarHBondContact OD2-NE2 2.98Å; L385-H391 WeakPolarHBondContact CD2-CE1 3.32Å; P389-H391 PolarHBondContact O-N 2.95Å; H391-N393 VanDerWaalsContact C-N 3.28Å; H391-N393 PolarHBondContact O-N 3.37Å; H391-R394 PolarHBondContact O-N 2.91Å; H391-R394 VanDerWaalsContact O-N 3.08Å; H391-S395 PolarHBondContact O-N 3.09Å |
| 392 | R | 71.3 | Confident | 70.2 | Confident | 181 Ų | 181 | 52.2 Ų | 52.2 | 68% | 0.683 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -53.9 | -40.3 | 176 | -162.1 | 172.9 | 175.4 | -178.4 | -0.3 | 114 | E370 S390 G396 | E370-R392 VanDerWaalsContact OE2-CA 3.27Å; E370-R392 WeakPolarHBondContact OE2-CA 3.45Å; E370-R392 WeakPolarHBondContact OE2-CB 3.35Å; E370-R392 PolarHBondContact OE2-N 2.91Å; S390-R392 PolarHBondContact O-N 3.48Å; R392-G396 PolarHBondContact O-N 2.87Å |
| 393 | N | 78.7 | Confident | 72.3 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.9 | -37.6 | 178.7 | -70.9 | -33 | 0 | 0 | 0 | 111.1 | S390 H391 G396 Q397 | S390-N393 WeakPolarHBondContact O-CB 3.34Å; S390-N393 PolarHBondContact O-N 3.28Å; S390-N393 PolarHBondContact OG-ND2 3.01Å; S390-N393 VanDerWaalsContact OG-ND2 3.14Å; H391-N393 VanDerWaalsContact C-N 3.28Å; H391-N393 PolarHBondContact O-N 3.37Å; N393-G396 PolarHBondContact O-N 2.68Å; N393-Q397 WeakPolarHBondContact O-CB 3.5Å; N393-Q397 PolarHBondContact O-N 2.87Å |
| 394 | R | 80.8 | Confident | 75.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 174.4 | -62.7 | -172.3 | 71.6 | 172.9 | 0.1 | 111.1 | H276 D345 W366 L385 H388 P389 S390 H391 G396 Q397 M398 | H276-R394 PolarHBondContact CE1-NH2 2.88Å; H276-R394 PolarHBondContact NE2-NH2 3.44Å; D345-R394 VanDerWaalsContact CG-NH2 3.28Å; D345-R394 IonicContact OD1-CZ 3.21Å; D345-R394 IonicContact OD1-NE 2.78Å; D345-R394 IonicContact OD1-NH2 3.5Å; D345-R394 PolarHBondContact OD1-NH2 2.82Å; D345-R394 IonicContact OD2-CZ 3.99Å; D345-R394 IonicContact OD2-NE 1.88Å; D345-R394 PolarHBondContact OD2-NE 3.22Å; D345-R394 IonicContact OD2-NH2 2.72Å; D345-R394 PolarHBondContact OD2-NH2 2.89Å; W366-R394 HydrophobicContact CD2-CB 4.33Å; W366-R394 HydrophobicContact CG-CB 4.16Å; L385-R394 VanDerWaalsContact CD1-NH1 3.32Å; H388-R394 PolarHBondContact ND1-NH1 3.48Å; P389-R394 HydrophobicContact CG-CG 3.94Å; S390-R394 PolarHBondContact O-N 2.92Å; H391-R394 PolarHBondContact O-N 2.91Å; H391-R394 VanDerWaalsContact O-N 3.08Å; R394-G396 PolarHBondContact O-N 3.36Å; R394-Q397 PolarHBondContact O-N 3.34Å; R394-M398 VanDerWaalsContact O-CB 3.29Å; R394-M398 WeakPolarHBondContact O-CB 3.31Å; R394-M398 PolarHBondContact O-N 2.87Å |
| 395 | S | 85.4 | Confident | 77.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54 | -52.4 | 172.3 | 161.2 | 0 | 0 | 0 | 0 | 111.9 | Q367 H391 Q397 M398 D399 | Q367-S395 PolarHBondContact NE2-OG 3.49Å; H391-S395 PolarHBondContact O-N 3.09Å; S395-Q397 PolarHBondContact O-N 3.31Å; S395-M398 PolarHBondContact O-N 3.43Å; S395-D399 PolarHBondContact O-N 3.3Å |
| 396 | G | 87.4 | Confident | 79.9 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70 | -12.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R392 N393 R394 R400 | R392-G396 PolarHBondContact O-N 2.87Å; N393-G396 PolarHBondContact O-N 2.68Å; R394-G396 PolarHBondContact O-N 3.36Å; G396-R400 WeakPolarHBondContact O-CG 3.26Å; G396-R400 PolarHBondContact O-NE 2.95Å |
| 397 | Q | 87.9 | Confident | 82.5 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -85.9 | -49.4 | 166.5 | 172.3 | 169.9 | -19.1 | 0 | 0 | 110.7 | A342 N393 R394 S395 D399 R400 L401 | A342-Q397 VanDerWaalsContact CA-NE2 3.26Å; A342-Q397 VanDerWaalsContact CB-NE2 3.26Å; A342-Q397 PolarHBondContact O-NE2 2.91Å; N393-Q397 WeakPolarHBondContact O-CB 3.5Å; N393-Q397 PolarHBondContact O-N 2.87Å; R394-Q397 PolarHBondContact O-N 3.34Å; S395-Q397 PolarHBondContact O-N 3.31Å; Q397-D399 VanDerWaalsContact C-N 3.28Å; Q397-D399 PolarHBondContact O-N 2.91Å; Q397-R400 WeakPolarHBondContact O-CB 3.29Å; Q397-R400 PolarHBondContact O-N 2.92Å; Q397-L401 HydrophobicContact CG-CD1 4.44Å; Q397-L401 PolarHBondContact O-N 3.32Å |
| 398 | M | 89.7 | Confident | 85 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.7 | -43 | 179.8 | -162.1 | 72.4 | 83.4 | 0 | 0 | 111.2 | D345 L349 P363 R394 S395 R400 L401 I402 | D345-M398 HydrophobicContact CB-CE 3.81Å; D345-M398 HydrophobicContact CB-SD 4.42Å; D345-M398 WeakPolarHBondContact OD1-CE 3.41Å; L349-M398 HydrophobicContact CB-SD 3.97Å; L349-M398 HydrophobicContact CD1-CG 4.24Å; L349-M398 HydrophobicContact CD1-SD 3.69Å; L349-M398 HydrophobicContact CD2-CG 4.35Å; L349-M398 HydrophobicContact CD2-SD 3.75Å; L349-M398 HydrophobicContact CG-SD 4Å; P363-M398 HydrophobicContact CG-CB 4Å; P363-M398 HydrophobicContact CG-CG 3.89Å; R394-M398 VanDerWaalsContact O-CB 3.29Å; R394-M398 WeakPolarHBondContact O-CB 3.31Å; R394-M398 PolarHBondContact O-N 2.87Å; S395-M398 PolarHBondContact O-N 3.43Å; M398-R400 PolarHBondContact O-N 3.2Å; M398-R400 VanDerWaalsContact O-N 3.13Å; M398-L401 WeakPolarHBondContact O-CA 3.26Å; M398-L401 WeakPolarHBondContact O-CB 3.29Å; M398-L401 PolarHBondContact O-N 3.4Å; M398-I402 WeakPolarHBondContact O-CG1 3.45Å; M398-I402 PolarHBondContact O-N 3.36Å; M398-I402 VanDerWaalsContact O-N 3.13Å |
| 399 | D | 92.6 | Very high | 87.2 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56 | -27.8 | 174.9 | -86.7 | -46.9 | 0 | 0 | 0 | 114.3 | P363 S395 Q397 R423 | P363-D399 WeakPolarHBondContact CG-OD1 3.44Å; S395-D399 PolarHBondContact O-N 3.3Å; Q397-D399 VanDerWaalsContact C-N 3.28Å; Q397-D399 PolarHBondContact O-N 2.91Å; D399-R423 WeakPolarHBondContact OD1-CD 3.31Å; D399-R423 IonicContact OD1-CZ 2.81Å; D399-R423 IonicContact OD1-NE 2.42Å; D399-R423 IonicContact OD1-NH1 3.03Å; D399-R423 PolarHBondContact OD1-NH1 2.97Å |
| 400 | R | 94.6 | Very high | 89.1 | Confident | 205 Ų | 205 | 62.6 Ų | 62.6 | 77% | 0.774 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -80.3 | -22.2 | 176.8 | -55 | 172.3 | -168.9 | -169 | -3.6 | 112.7 | G396 Q397 M398 P403 | G396-R400 WeakPolarHBondContact O-CG 3.26Å; G396-R400 PolarHBondContact O-NE 2.95Å; Q397-R400 WeakPolarHBondContact O-CB 3.29Å; Q397-R400 PolarHBondContact O-N 2.92Å; M398-R400 PolarHBondContact O-N 3.2Å; M398-R400 VanDerWaalsContact O-N 3.13Å; R400-P403 WeakPolarHBondContact O-CD 3.33Å |
| 401 | L | 95.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -89.4 | -21.5 | 179.4 | -60.8 | 172.6 | 0 | 0 | 0 | 111.9 | Q346 L349 Q397 M398 P403 Q404 A405 | Q346-L401 HydrophobicContact CB-CD1 3.96Å; Q346-L401 HydrophobicContact CG-CD1 4.34Å; Q346-L401 HydrophobicContact CG-CD2 4.29Å; L349-L401 HydrophobicContact CD2-CB 3.62Å; Q397-L401 HydrophobicContact CG-CD1 4.44Å; Q397-L401 PolarHBondContact O-N 3.32Å; M398-L401 WeakPolarHBondContact O-CA 3.26Å; M398-L401 WeakPolarHBondContact O-CB 3.29Å; M398-L401 PolarHBondContact O-N 3.4Å; L401-P403 VanDerWaalsContact C-CD 3.47Å; L401-Q404 PolarHBondContact O-N 2.82Å; L401-Q404 VanDerWaalsContact O-N 3.16Å; L401-A405 PolarHBondContact O-N 3.05Å |
| 402 | I | 96.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -47 | -47.5 | 177.2 | -61.8 | -59.5 | 0 | 0 | 0 | 113.5 | L349 V359 R360 P363 M398 Q404 A405 L406 | L349-I402 HydrophobicContact CD2-CD1 4.3Å; V359-I402 HydrophobicContact CB-CD1 4.16Å; V359-I402 HydrophobicContact CG2-CD1 4.25Å; V359-I402 WeakPolarHBondContact O-CD1 3.19Å; R360-I402 HydrophobicContact CG-CG2 4.14Å; P363-I402 HydrophobicContact CG-CD1 4.01Å; P363-I402 HydrophobicContact CG-CG1 4.16Å; M398-I402 WeakPolarHBondContact O-CG1 3.45Å; M398-I402 PolarHBondContact O-N 3.36Å; M398-I402 VanDerWaalsContact O-N 3.13Å; I402-Q404 PolarHBondContact O-N 3.45Å; I402-A405 PolarHBondContact O-N 2.95Å; I402-L406 HydrophobicContact CG2-CD1 3.72Å; I402-L406 HydrophobicContact CG2-CG 4.04Å; I402-L406 VanDerWaalsContact O-CG 3.28Å; I402-L406 WeakPolarHBondContact O-CG 3.39Å; I402-L406 PolarHBondContact O-N 3.37Å |
| 403 | P | 96.9 | Very high | 93 | Very high | 85 Ų | 85 | 62 Ų | 62 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | -178.2 | -23.8 | 35.5 | 0 | 0 | 0 | 113.1 | R400 L401 L406 E407 | R400-P403 WeakPolarHBondContact O-CD 3.33Å; L401-P403 VanDerWaalsContact C-CD 3.47Å; P403-L406 PolarHBondContact O-N 3.41Å; P403-E407 PolarHBondContact O-N 3.32Å |
| 404 | Q | 96.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 176.7 | -175.2 | -173.9 | 43.6 | 0 | 0 | 111.5 | H350 L401 I402 L406 E407 L408 | H350-Q404 PolarHBondContact CE1-OE1 3.23Å; H350-Q404 PolarHBondContact NE2-OE1 2.85Å; L401-Q404 PolarHBondContact O-N 2.82Å; L401-Q404 VanDerWaalsContact O-N 3.16Å; I402-Q404 PolarHBondContact O-N 3.45Å; Q404-L406 VanDerWaalsContact C-N 3.33Å; Q404-E407 PolarHBondContact O-N 3.18Å; Q404-L408 WeakPolarHBondContact O-CB 3.38Å; Q404-L408 PolarHBondContact O-N 2.82Å |
| 405 | A | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.4 | -30.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L349 A353 V359 L401 I402 R409 | L349-A405 HydrophobicContact CD2-CB 3.7Å; L349-A405 HydrophobicContact CG-CB 3.91Å; A353-A405 HydrophobicContact CB-CB 4.23Å; A353-A405 WeakPolarHBondContact CB-O 3.39Å; V359-A405 HydrophobicContact CB-CB 4.15Å; V359-A405 HydrophobicContact CG1-CB 4.06Å; V359-A405 HydrophobicContact CG2-CB 3.92Å; L401-A405 PolarHBondContact O-N 3.05Å; I402-A405 PolarHBondContact O-N 2.95Å; A405-R409 PolarHBondContact O-N 2.98Å; A405-R409 VanDerWaalsContact O-N 3.08Å |
| 406 | L | 97.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 67 Ų | 67 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.7 | -44.8 | 170.9 | -68.7 | 175.2 | 0 | 0 | 0 | 111.8 | V359 I402 P403 Q404 L408 R409 E410 L417 | V359-L406 HydrophobicContact CG2-CD2 3.85Å; V359-L406 HydrophobicContact CG2-CG 4.22Å; I402-L406 HydrophobicContact CG2-CD1 3.72Å; I402-L406 HydrophobicContact CG2-CG 4.04Å; I402-L406 VanDerWaalsContact O-CG 3.28Å; I402-L406 WeakPolarHBondContact O-CG 3.39Å; I402-L406 PolarHBondContact O-N 3.37Å; P403-L406 PolarHBondContact O-N 3.41Å; Q404-L406 VanDerWaalsContact C-N 3.33Å; L406-L408 PolarHBondContact O-N 3.29Å; L406-R409 WeakPolarHBondContact O-CB 3.36Å; L406-R409 PolarHBondContact O-N 3.31Å; L406-R409 VanDerWaalsContact O-N 3.12Å; L406-E410 PolarHBondContact O-N 3.03Å; L406-L417 HydrophobicContact CD2-CD1 3.43Å; L406-L417 VanDerWaalsContact CD2-CD1 3.43Å |
| 407 | E | 97.4 | Very high | 95.5 | Very high | 128 Ų | 128 | 68 Ų | 68 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.2 | -36.8 | 173 | -176.5 | 177.7 | -162.4 | 0 | 0 | 111.9 | P403 Q404 E410 T411 | P403-E407 PolarHBondContact O-N 3.32Å; Q404-E407 PolarHBondContact O-N 3.18Å; E407-E410 PolarHBondContact O-N 3.13Å; E407-T411 WeakPolarHBondContact O-CB 3.47Å; E407-T411 PolarHBondContact O-N 2.82Å; E407-T411 PolarHBondContact O-OG1 3.37Å |
| 408 | L | 96.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 174.7 | -172.5 | 57.6 | 0 | 0 | 0 | 112.6 | H350 A353 K354 Q404 L406 E410 T411 C412 | H350-L408 HydrophobicContact CB-CD2 3.79Å; A353-L408 HydrophobicContact CB-CB 4.32Å; A353-L408 HydrophobicContact CB-CD2 4.17Å; A353-L408 HydrophobicContact CB-CG 4.33Å; K354-L408 HydrophobicContact CD-CD1 4.35Å; K354-L408 HydrophobicContact CD-CD2 4.13Å; K354-L408 HydrophobicContact CD-CG 4.44Å; K354-L408 HydrophobicContact CG-CD1 4.04Å; K354-L408 HydrophobicContact CG-CD2 3.79Å; K354-L408 HydrophobicContact CG-CG 3.78Å; Q404-L408 WeakPolarHBondContact O-CB 3.38Å; Q404-L408 PolarHBondContact O-N 2.82Å; L406-L408 PolarHBondContact O-N 3.29Å; L408-E410 PolarHBondContact O-N 3.42Å; L408-T411 PolarHBondContact O-N 2.85Å; L408-C412 WeakPolarHBondContact O-CB 3.35Å; L408-C412 PolarHBondContact O-N 2.94Å; L408-C412 PolarHBondContact O-SG 3.01Å |
| 409 | R | 97.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 74.4 Ų | 74.4 | 5% | 0.049 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 171.4 | -78.5 | -179.7 | 62.1 | 94 | 9.2 | 112 | A353 C356 A357 A405 L406 C412 S413 C414 P415 L417 | A353-R409 HydrophobicContact CB-CG 4.06Å; A353-R409 WeakPolarHBondContact O-CG 3.45Å; C356-R409 PolarHBondContact O-NH1 3.41Å; A357-R409 PolarHBondContact O-NH1 3.33Å; A405-R409 PolarHBondContact O-N 2.98Å; A405-R409 VanDerWaalsContact O-N 3.08Å; L406-R409 WeakPolarHBondContact O-CB 3.36Å; L406-R409 PolarHBondContact O-N 3.31Å; L406-R409 VanDerWaalsContact O-N 3.12Å; R409-C412 CarbonylContact O-C 3.57Å; R409-C412 PolarHBondContact O-N 3.34Å; R409-S413 PolarHBondContact O-N 3.14Å; R409-C414 HydrophobicContact CB-CB 4.07Å; R409-C414 HydrophobicContact CG-CB 4.48Å; R409-C414 WeakPolarHBondContact O-CB 3.29Å; R409-C414 PolarHBondContact O-N 2.88Å; R409-P415 PolarHBondContact NH2-O 3.17Å; R409-L417 VanDerWaalsContact CZ-CD2 3.4Å |
| 410 | E | 95.8 | Very high | 95.9 | Very high | 155 Ų | 155 | 76 Ų | 76 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 179.7 | -70.7 | 179.1 | -171 | 0 | 0 | 110.7 | L406 E407 L408 C412 S413 | L406-E410 PolarHBondContact O-N 3.03Å; E407-E410 PolarHBondContact O-N 3.13Å; L408-E410 PolarHBondContact O-N 3.42Å; E410-C412 VanDerWaalsContact C-N 3.29Å; E410-C412 PolarHBondContact O-N 3.15Å; E410-S413 PolarHBondContact O-N 2.86Å |
| 411 | T | 96.6 | Very high | 95.9 | Very high | 107 Ų | 107 | 68.1 Ų | 68.1 | 66% | 0.656 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.1 | -40.4 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 112 | E407 L408 S413 | E407-T411 WeakPolarHBondContact O-CB 3.47Å; E407-T411 PolarHBondContact O-N 2.82Å; E407-T411 PolarHBondContact O-OG1 3.37Å; L408-T411 PolarHBondContact O-N 2.85Å; T411-S413 PolarHBondContact O-N 2.8Å |
| 412 | C | 95.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 28% | 0.284 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 6.3 | 175.1 | -72 | 0 | 0 | 0 | 0 | 114.6 | L408 R409 E410 C414 | L408-C412 WeakPolarHBondContact O-CB 3.35Å; L408-C412 PolarHBondContact O-N 2.94Å; L408-C412 PolarHBondContact O-SG 3.01Å; R409-C412 CarbonylContact O-C 3.57Å; R409-C412 PolarHBondContact O-N 3.34Å; E410-C412 VanDerWaalsContact C-N 3.29Å; E410-C412 PolarHBondContact O-N 3.15Å; C412-C414 PolarHBondContact O-N 2.73Å |
| 413 | S | 95.9 | Very high | 95.7 | Very high | 107 Ų | 107 | 71.3 Ų | 71.3 | 75% | 0.748 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 37.7 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | R409 E410 T411 | R409-S413 PolarHBondContact O-N 3.14Å; E410-S413 PolarHBondContact O-N 2.86Å; T411-S413 PolarHBondContact O-N 2.8Å |
| 414 | C | 97.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 14% | 0.135 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 156.8 | 176.3 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | A353 C356 R409 C412 | A353-C414 PolarHBondContact O-SG 3.49Å; C356-C414 WeakPolarHBondContact CA-SG 3.39Å; C356-C414 HydrophobicContact CB-CB 3.63Å; C356-C414 WeakPolarHBondContact CB-SG 3.24Å; C356-C414 WeakPolarHBondContact SG-CA 3.33Å; C356-C414 WeakPolarHBondContact SG-CB 3.49Å; C356-C414 CovalentContact SG-SG 2.04Å; C356-C414 PolarHBondContact SG-SG 3.12Å; R409-C414 HydrophobicContact CB-CB 4.07Å; R409-C414 HydrophobicContact CG-CB 4.48Å; R409-C414 WeakPolarHBondContact O-CB 3.29Å; R409-C414 PolarHBondContact O-N 2.88Å; C412-C414 PolarHBondContact O-N 2.73Å |
| 415 | P | 96.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 147.9 | 173.1 | -25.2 | 35.1 | 0 | 0 | 0 | 112.7 | R409 L417 | R409-P415 PolarHBondContact NH2-O 3.17Å; P415-L417 PolarHBondContact O-N 3.48Å |
| 416 | A | 95 | Very high | 95.2 | Very high | 104 Ų | 104 | 70.9 Ų | 70.9 | 86% | 0.86 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 136.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 417 | L | 95.9 | Very high | 95 | Very high | 51 Ų | 51 | 71.7 Ų | 71.7 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 161.4 | 179.6 | -72.7 | 177.1 | 0 | 0 | 0 | 112.2 | D358 L406 R409 P415 | D358-L417 HydrophobicContact CB-CD2 3.62Å; D358-L417 WeakPolarHBondContact OD1-CD1 3.47Å; L406-L417 HydrophobicContact CD2-CD1 3.43Å; L406-L417 VanDerWaalsContact CD2-CD1 3.43Å; R409-L417 VanDerWaalsContact CZ-CD2 3.4Å; P415-L417 PolarHBondContact O-N 3.48Å |
| 418 | S | 93.5 | Very high | 94.8 | Very high | 64 Ų | 64 | 72 Ų | 72 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 134.6 | 170.1 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | R360 V420 | R360-S418 PolarHBondContact NH1-O 3.46Å; R360-S418 PolarHBondContact NH2-O 3.41Å; S418-V420 PolarHBondContact O-N 3.26Å; S418-V420 VanDerWaalsContact O-N 3.16Å; S418-V420 PolarHBondContact OG-N 3.33Å |
| 419 | P | 92.4 | Very high | 94.6 | Very high | 134 Ų | 134 | 73.2 Ų | 73.2 | 87% | 0.87 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -65.2 | -15.9 | 174.6 | 29.1 | -36 | 0 | 0 | 0 | 112.4 | ||
| 420 | V | 93.8 | Very high | 94.2 | Very high | 82 Ų | 82 | 74 Ų | 74 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -80.9 | 122.9 | 169.5 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | R360 S418 V425 | R360-V420 PolarHBondContact NH1-O 3.13Å; R360-V420 PolarHBondContact NH2-O 2.96Å; R360-V420 VanDerWaalsContact NH2-O 3.17Å; S418-V420 PolarHBondContact O-N 3.26Å; S418-V420 VanDerWaalsContact O-N 3.16Å; S418-V420 PolarHBondContact OG-N 3.33Å; V420-V425 HydrophobicContact CG1-CG2 3.29Å |
| 421 | D | 94.1 | Very high | 94 | Very high | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.203 | 44% | 0.44 | C | S | . | . | trans | -83.2 | 123.4 | 173.9 | -168 | -51.7 | 0 | 0 | 0 | 110.1 | R423 A424 V425 | D421-R423 PolarHBondContact O-N 2.87Å; D421-R423 WeakPolarHBondContact OD1-CB 3.41Å; D421-R423 WeakPolarHBondContact OD1-CG 3.49Å; D421-R423 IonicContact OD1-CZ 2.92Å; D421-R423 PolarHBondContact OD1-N 2.77Å; D421-R423 IonicContact OD1-NE 2.72Å; D421-R423 PolarHBondContact OD1-NE 3.35Å; D421-R423 IonicContact OD1-NH2 3.87Å; D421-R423 IonicContact OD2-CZ 3.47Å; D421-R423 IonicContact OD2-NE 3.38Å; D421-R423 PolarHBondContact OD2-NE 3.11Å; D421-R423 IonicContact OD2-NH2 2.71Å; D421-R423 PolarHBondContact OD2-NH2 3.46Å; D421-A424 HydrophobicContact CB-CB 4.22Å; D421-A424 WeakPolarHBondContact O-CB 3.25Å; D421-A424 PolarHBondContact O-N 3.32Å; D421-A424 VanDerWaalsContact O-N 3.08Å; D421-V425 PolarHBondContact O-N 3.39Å | ||
| 422 | P | 95.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 68.9 Ų | 68.9 | 21% | 0.214 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.7 | -27.6 | -178.1 | 25.4 | -34.5 | 0 | 0 | 0 | 112.7 | R360 V364 V425 F426 | R360-P422 HydrophobicContact CB-CG 3.63Å; V364-P422 HydrophobicContact CG2-CB 4.33Å; P422-V425 PolarHBondContact O-N 2.98Å; P422-F426 WeakPolarHBondContact O-CB 3.47Å; P422-F426 PolarHBondContact O-N 3.2Å |
| 423 | R | 93.4 | Very high | 93.6 | Very high | 61 Ų | 61 | 72 Ų | 72 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 176.4 | -55.9 | 170.5 | -67.8 | 175.5 | -1.7 | 111.7 | R360 P363 V364 D399 D421 S427 | R360-R423 VanDerWaalsContact O-CG 3.26Å; R360-R423 WeakPolarHBondContact O-CG 3.23Å; P363-R423 HydrophobicContact CB-CG 4.36Å; V364-R423 HydrophobicContact CG2-CB 4.21Å; V364-R423 HydrophobicContact CG2-CG 3.68Å; D399-R423 WeakPolarHBondContact OD1-CD 3.31Å; D399-R423 IonicContact OD1-CZ 2.81Å; D399-R423 IonicContact OD1-NE 2.42Å; D399-R423 IonicContact OD1-NH1 3.03Å; D399-R423 PolarHBondContact OD1-NH1 2.97Å; D421-R423 PolarHBondContact O-N 2.87Å; D421-R423 WeakPolarHBondContact OD1-CB 3.41Å; D421-R423 WeakPolarHBondContact OD1-CG 3.49Å; D421-R423 IonicContact OD1-CZ 2.92Å; D421-R423 PolarHBondContact OD1-N 2.77Å; D421-R423 IonicContact OD1-NE 2.72Å; D421-R423 PolarHBondContact OD1-NE 3.35Å; D421-R423 IonicContact OD1-NH2 3.87Å; D421-R423 IonicContact OD2-CZ 3.47Å; D421-R423 IonicContact OD2-NE 3.38Å; D421-R423 PolarHBondContact OD2-NE 3.11Å; D421-R423 IonicContact OD2-NH2 2.71Å; D421-R423 PolarHBondContact OD2-NH2 3.46Å; R423-S427 WeakPolarHBondContact O-CB 3.07Å; R423-S427 PolarHBondContact O-N 3.07Å |
| 424 | A | 93.5 | Very high | 93.2 | Very high | 65 Ų | 65 | 72.4 Ų | 72.4 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D421 K428 | D421-A424 HydrophobicContact CB-CB 4.22Å; D421-A424 WeakPolarHBondContact O-CB 3.25Å; D421-A424 PolarHBondContact O-N 3.32Å; D421-A424 VanDerWaalsContact O-N 3.08Å; A424-K428 WeakPolarHBondContact O-CB 3.39Å; A424-K428 PolarHBondContact O-N 2.83Å; A424-K428 VanDerWaalsContact O-N 3.11Å |
| 425 | V | 94.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -51.7 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | V420 D421 P422 K428 T429 | V420-V425 HydrophobicContact CG1-CG2 3.29Å; D421-V425 PolarHBondContact O-N 3.39Å; P422-V425 PolarHBondContact O-N 2.98Å; V425-K428 PolarHBondContact O-N 3.3Å; V425-T429 PolarHBondContact O-N 2.84Å; V425-T429 PolarHBondContact O-OG1 3.46Å; V425-T429 VanDerWaalsContact O-OG1 3.08Å |
| 426 | F | 93.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 74.1 Ų | 74.1 | 14% | 0.136 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | -179.5 | 176.8 | -99 | 0 | 0 | 0 | 112.2 | V364 Q367 Q368 I371 P422 K428 T429 V430 | V364-F426 HydrophobicContact CG1-CB 3.75Å; V364-F426 HydrophobicContact CG1-CD1 4.25Å; V364-F426 HydrophobicContact CG1-CD2 3.7Å; V364-F426 HydrophobicContact CG1-CE2 4.36Å; V364-F426 HydrophobicContact CG1-CG 3.62Å; V364-F426 HydrophobicContact CG2-CB 4.24Å; Q367-F426 HydrophobicContact CB-CD1 4.33Å; Q367-F426 HydrophobicContact CB-CE1 3.46Å; Q367-F426 VanDerWaalsContact CB-CE1 3.46Å; Q367-F426 HydrophobicContact CB-CZ 3.86Å; Q367-F426 HydrophobicContact CG-CE1 4.39Å; Q367-F426 VanDerWaalsContact OE1-CE1 3.23Å; Q368-F426 HydrophobicContact CG-CD2 4.14Å; Q368-F426 HydrophobicContact CG-CE2 3.43Å; Q368-F426 VanDerWaalsContact CG-CE2 3.43Å; Q368-F426 HydrophobicContact CG-CZ 3.98Å; I371-F426 HydrophobicContact CD1-CE2 4.46Å; I371-F426 HydrophobicContact CD1-CZ 3.72Å; P422-F426 WeakPolarHBondContact O-CB 3.47Å; P422-F426 PolarHBondContact O-N 3.2Å; F426-K428 VanDerWaalsContact C-N 3.29Å; F426-K428 PolarHBondContact O-N 3.43Å; F426-T429 PolarHBondContact O-N 3.32Å; F426-T429 VanDerWaalsContact O-N 3.15Å; F426-V430 HydrophobicContact CD1-CG2 4.2Å; F426-V430 HydrophobicContact CD2-CG2 4.19Å; F426-V430 HydrophobicContact CE1-CG2 3.76Å; F426-V430 HydrophobicContact CE2-CG2 3.76Å; F426-V430 HydrophobicContact CG-CG2 4.4Å; F426-V430 HydrophobicContact CZ-CG2 3.55Å; F426-V430 WeakPolarHBondContact O-CG2 3.46Å; F426-V430 PolarHBondContact O-N 2.86Å |
| 427 | S | 91.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 71.8 Ų | 71.8 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.9 | -40.4 | 178 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | R423 S431 | R423-S427 WeakPolarHBondContact O-CB 3.07Å; R423-S427 PolarHBondContact O-N 3.07Å; S427-S431 WeakPolarHBondContact O-CB 3.25Å; S427-S431 PolarHBondContact O-N 2.91Å; S427-S431 PolarHBondContact O-OG 3.3Å |
| 428 | K | 93.8 | Very high | 91.8 | Very high | 134 Ų | 134 | 78 Ų | 78 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.9 | -49.4 | 173.3 | 179.7 | 174.8 | 170 | 177.8 | 0 | 112 | A424 V425 F426 V430 S431 E432 | A424-K428 WeakPolarHBondContact O-CB 3.39Å; A424-K428 PolarHBondContact O-N 2.83Å; A424-K428 VanDerWaalsContact O-N 3.11Å; V425-K428 PolarHBondContact O-N 3.3Å; F426-K428 VanDerWaalsContact C-N 3.29Å; F426-K428 PolarHBondContact O-N 3.43Å; K428-V430 PolarHBondContact O-N 3.5Å; K428-S431 WeakPolarHBondContact O-CB 3.26Å; K428-S431 PolarHBondContact O-N 2.91Å; K428-S431 VanDerWaalsContact O-N 3.15Å; K428-E432 WeakPolarHBondContact CE-OE1 3.36Å; K428-E432 IonicContact NZ-OE1 3.74Å; K428-E432 PolarHBondContact O-N 2.89Å |
| 429 | T | 92.8 | Very high | 91.3 | Very high | 68 Ų | 68 | 82.4 Ų | 82.4 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 179.3 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | V425 F426 S431 E432 L433 | V425-T429 PolarHBondContact O-N 2.84Å; V425-T429 PolarHBondContact O-OG1 3.46Å; V425-T429 VanDerWaalsContact O-OG1 3.08Å; F426-T429 PolarHBondContact O-N 3.32Å; F426-T429 VanDerWaalsContact O-N 3.15Å; T429-S431 VanDerWaalsContact C-N 3.34Å; T429-S431 PolarHBondContact O-N 2.89Å; T429-E432 PolarHBondContact O-N 3.46Å; T429-L433 HydrophobicContact CG2-CD1 4.07Å; T429-L433 WeakPolarHBondContact O-CB 3.33Å; T429-L433 VanDerWaalsContact O-CG 3.3Å; T429-L433 WeakPolarHBondContact O-CG 3.45Å; T429-L433 PolarHBondContact O-N 2.95Å |
| 430 | V | 89.8 | Confident | 90.4 | Very high | 31 Ų | 31 | 84 Ų | 84 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | I371 F426 K428 L433 L434 | I371-V430 HydrophobicContact CD1-CG1 4.09Å; I371-V430 HydrophobicContact CD1-CG2 3.66Å; F426-V430 HydrophobicContact CD1-CG2 4.2Å; F426-V430 HydrophobicContact CD2-CG2 4.19Å; F426-V430 HydrophobicContact CE1-CG2 3.76Å; F426-V430 HydrophobicContact CE2-CG2 3.76Å; F426-V430 HydrophobicContact CG-CG2 4.4Å; F426-V430 HydrophobicContact CZ-CG2 3.55Å; F426-V430 WeakPolarHBondContact O-CG2 3.46Å; F426-V430 PolarHBondContact O-N 2.86Å; K428-V430 PolarHBondContact O-N 3.5Å; V430-L433 PolarHBondContact O-N 2.87Å; V430-L434 HydrophobicContact CG1-CD1 3.86Å; V430-L434 HydrophobicContact CG1-CG 4.35Å; V430-L434 WeakPolarHBondContact O-CB 3.38Å; V430-L434 VanDerWaalsContact O-CG 3.29Å; V430-L434 WeakPolarHBondContact O-CG 3.46Å; V430-L434 PolarHBondContact O-N 3.38Å |
| 431 | S | 90.7 | Very high | 88.3 | Confident | 70 Ų | 70 | 82.6 Ų | 82.6 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | S427 K428 T429 L434 A435 | S427-S431 WeakPolarHBondContact O-CB 3.25Å; S427-S431 PolarHBondContact O-N 2.91Å; S427-S431 PolarHBondContact O-OG 3.3Å; K428-S431 WeakPolarHBondContact O-CB 3.26Å; K428-S431 PolarHBondContact O-N 2.91Å; K428-S431 VanDerWaalsContact O-N 3.15Å; T429-S431 VanDerWaalsContact C-N 3.34Å; T429-S431 PolarHBondContact O-N 2.89Å; S431-L434 PolarHBondContact O-N 3.22Å; S431-A435 WeakPolarHBondContact O-CB 3.18Å; S431-A435 PolarHBondContact O-N 3.24Å |
| 432 | E | 93.4 | Very high | 86.1 | Confident | 83 Ų | 83 | 88 Ų | 88 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 176.3 | -72.7 | -176.6 | -166.1 | 0 | 0 | 112.8 | K428 T429 K436 | K428-E432 WeakPolarHBondContact CE-OE1 3.36Å; K428-E432 IonicContact NZ-OE1 3.74Å; K428-E432 PolarHBondContact O-N 2.89Å; T429-E432 PolarHBondContact O-N 3.46Å; E432-K436 WeakPolarHBondContact O-CB 3.47Å; E432-K436 WeakPolarHBondContact O-CD 3.34Å; E432-K436 VanDerWaalsContact O-CG 3.3Å; E432-K436 WeakPolarHBondContact O-CG 3.39Å; E432-K436 PolarHBondContact O-N 3.44Å |
| 433 | L | 90.3 | Very high | 83.6 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.6 | -43.2 | 174.8 | -72 | 170.4 | 0 | 0 | 0 | 111.6 | T429 V430 K436 A437 | T429-L433 HydrophobicContact CG2-CD1 4.07Å; T429-L433 WeakPolarHBondContact O-CB 3.33Å; T429-L433 VanDerWaalsContact O-CG 3.3Å; T429-L433 WeakPolarHBondContact O-CG 3.45Å; T429-L433 PolarHBondContact O-N 2.95Å; V430-L433 PolarHBondContact O-N 2.87Å; L433-K436 PolarHBondContact O-N 3.4Å; L433-A437 WeakPolarHBondContact O-CB 3.48Å; L433-A437 PolarHBondContact O-N 2.95Å |
| 434 | L | 88.1 | Confident | 81.1 | Confident | 116 Ų | 116 | 90.3 Ų | 90.3 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.9 | -36.7 | 175.9 | -70.7 | 172.1 | 0 | 0 | 0 | 112.3 | V430 S431 K438 | V430-L434 HydrophobicContact CG1-CD1 3.86Å; V430-L434 HydrophobicContact CG1-CG 4.35Å; V430-L434 WeakPolarHBondContact O-CB 3.38Å; V430-L434 VanDerWaalsContact O-CG 3.29Å; V430-L434 WeakPolarHBondContact O-CG 3.46Å; V430-L434 PolarHBondContact O-N 3.38Å; S431-L434 PolarHBondContact O-N 3.22Å; L434-K438 WeakPolarHBondContact O-CB 3.49Å; L434-K438 PolarHBondContact O-N 3.4Å |
| 435 | A | 90.8 | Very high | 78.3 | Confident | 43 Ų | 43 | 95.6 Ų | 95.6 | 36% | 0.355 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -51.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S431 A437 K438 E439 | S431-A435 WeakPolarHBondContact O-CB 3.18Å; S431-A435 PolarHBondContact O-N 3.24Å; A435-A437 PolarHBondContact O-N 3.5Å; A435-K438 WeakPolarHBondContact O-CB 3.49Å; A435-K438 PolarHBondContact O-N 2.91Å; A435-K438 VanDerWaalsContact O-N 3.1Å; A435-E439 WeakPolarHBondContact O-CG 3.45Å; A435-E439 PolarHBondContact O-N 2.84Å |
| 436 | K | 91.1 | Very high | 75.7 | Confident | 104 Ų | 104 | 101.8 Ų | 101.8 | 45% | 0.452 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.8 | -41.7 | 177.6 | -72.9 | 165.4 | -175.6 | 163.1 | 0 | 112.5 | E432 L433 K438 E439 Q440 | E432-K436 WeakPolarHBondContact O-CB 3.47Å; E432-K436 WeakPolarHBondContact O-CD 3.34Å; E432-K436 VanDerWaalsContact O-CG 3.3Å; E432-K436 WeakPolarHBondContact O-CG 3.39Å; E432-K436 PolarHBondContact O-N 3.44Å; L433-K436 PolarHBondContact O-N 3.4Å; K436-K438 VanDerWaalsContact C-N 3.3Å; K436-K438 PolarHBondContact O-N 3.21Å; K436-E439 PolarHBondContact O-N 2.65Å; K436-Q440 WeakPolarHBondContact O-CB 3.36Å; K436-Q440 VanDerWaalsContact O-CG 3.26Å; K436-Q440 WeakPolarHBondContact O-CG 3.35Å; K436-Q440 PolarHBondContact O-N 3.24Å |
| 437 | A | 87.4 | Confident | 72.8 | Confident | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L433 A435 G441 | L433-A437 WeakPolarHBondContact O-CB 3.48Å; L433-A437 PolarHBondContact O-N 2.95Å; A435-A437 PolarHBondContact O-N 3.5Å; A437-G441 PolarHBondContact O-N 2.93Å |
| 438 | K | 85.5 | Confident | 70.2 | Confident | 180 Ų | 180 | 107 Ų | 107 | 78% | 0.783 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.2 | -39.6 | 174.4 | -171.1 | -178.9 | 180 | -175.4 | 0 | 112.2 | L434 A435 K436 G441 | L434-K438 WeakPolarHBondContact O-CB 3.49Å; L434-K438 PolarHBondContact O-N 3.4Å; A435-K438 WeakPolarHBondContact O-CB 3.49Å; A435-K438 PolarHBondContact O-N 2.91Å; A435-K438 VanDerWaalsContact O-N 3.1Å; K436-K438 VanDerWaalsContact C-N 3.3Å; K436-K438 PolarHBondContact O-N 3.21Å; K438-G441 PolarHBondContact O-N 2.7Å |
| 439 | E | 83.1 | Confident | 67.2 | Low | 158 Ų | 158 | 112 Ų | 112 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.8 | -33.1 | 175.5 | -71.5 | 167.9 | -178.8 | 0 | 0 | 112.5 | A435 K436 G441 | A435-E439 WeakPolarHBondContact O-CG 3.45Å; A435-E439 PolarHBondContact O-N 2.84Å; K436-E439 PolarHBondContact O-N 2.65Å; E439-G441 VanDerWaalsContact C-N 3.28Å; E439-G441 PolarHBondContact O-N 3.13Å |
| 440 | Q | 73.8 | Confident | 64.2 | Low | 168 Ų | 168 | 116.5 Ų | 116.5 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -6.1 | 177.9 | -73.2 | 175.9 | -8.4 | 0 | 0 | 114.4 | K436 | K436-Q440 WeakPolarHBondContact O-CB 3.36Å; K436-Q440 VanDerWaalsContact O-CG 3.26Å; K436-Q440 WeakPolarHBondContact O-CG 3.35Å; K436-Q440 PolarHBondContact O-N 3.24Å |
| 441 | G | 49.1 | Very low | 61.4 | Low | 52 Ų | 52 | 121.1 Ų | 121.1 | 54% | 0.536 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.9 | 66 | 157 | 0 | 0 | 0 | 0 | 0 | 117.1 | A437 K438 E439 G443 | A437-G441 PolarHBondContact O-N 2.93Å; K438-G441 PolarHBondContact O-N 2.7Å; E439-G441 VanDerWaalsContact C-N 3.28Å; E439-G441 PolarHBondContact O-N 3.13Å; G441-G443 VanDerWaalsContact C-N 3.27Å; G441-G443 PolarHBondContact O-N 3.05Å |
| 442 | V | 48.1 | Very low | 58.4 | Low | 150 Ų | 150 | 125.7 Ų | 125.7 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | trans | -73 | 89.9 | 149.2 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 443 | G | 41.7 | Very low | 55.7 | Low | 70 Ų | 70 | 127.6 Ų | 127.6 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | -76.1 | 128.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G441 | G441-G443 VanDerWaalsContact C-N 3.27Å; G441-G443 PolarHBondContact O-N 3.05Å | ||
| 444 | G | 41.6 | Very low | 52.8 | Low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 67.1 | 94.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 445 | L | 35.8 | Very low | 49.9 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | -120.8 | 48.7 | 148.9 | -120 | 169.4 | 0 | 0 | 0 | 110.4 | G447 | L445-G447 PolarHBondContact O-N 2.93Š| ||
| 446 | E | 39.3 | Very low | 46.9 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | trans | -73.2 | 100.1 | 167.6 | -170.4 | 170.4 | 170.5 | 0 | 0 | 108.1 | ||||
| 447 | G | 30.6 | Very low | 43.7 | Very low | 56 Ų | 56 | 131.6 Ų | 131.6 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | trans | -169.1 | 38.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L445 R449 | L445-G447 PolarHBondContact O-N 2.93Å; G447-R449 PolarHBondContact O-N 3.39Å | ||
| 448 | T | 38.3 | Very low | 41 | Very low | 149 Ų | 149 | 136 Ų | 136 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -64.6 | 93.7 | 171 | 47.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 449 | R | 30.9 | Very low | 38.1 | Very low | 238 Ų | 238 | 131.2 Ų | 131.2 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -102.7 | 122 | 161.7 | -88.8 | -174 | 169.9 | 163.5 | -0.2 | 110.4 | G447 | G447-R449 PolarHBondContact O-N 3.39Š| ||
| 450 | E | 29.6 | Very low | 35.3 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -58 | 135.1 | 172.4 | -174.4 | -177.2 | 164.7 | 0 | 0 | 111.1 | Q452 | E450-Q452 PolarHBondContact O-N 3.13Š| ||
| 451 | P | 30.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -82.1 | 97.7 | -177.9 | 31.9 | -33.7 | 0 | 0 | 0 | 111.5 | ||||
| 452 | Q | 27.4 | Very low | 32.4 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | -83.3 | 144.1 | 160.8 | -76.6 | -153.6 | -9.4 | 0 | 0 | 111.7 | E450 | E450-Q452 PolarHBondContact O-N 3.13Š| ||
| 453 | P | 37.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -85 | 144.2 | -170.1 | 33.7 | -35.5 | 0 | 0 | 0 | 112.8 | ||||
| 454 | V | 28.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -128.2 | 133.8 | 166.1 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 455 | S | 27 | Very low | 30 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -99.5 | 158.5 | -175.7 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 456 | A | 27.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 69.9 | 153.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 457 | S | 24.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | cis | -157.2 | 154.9 | -5.8 | 30.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 458 | V | 30.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | trans | 15.9 | 116.2 | 150.4 | -173.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 459 | G | 23.4 | Very low | 27.8 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -164.9 | 91.1 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 460 | L | 25.6 | Very low | 27.6 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -88.5 | 159.6 | 154.8 | -88.8 | 163.8 | 0 | 0 | 0 | 107.6 | ||||
| 461 | P | 35.1 | Very low | 27.5 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | cis | -153.6 | -167.6 | 38.6 | 46.6 | -26.3 | 0 | 0 | 0 | 117.8 | ||||
| 462 | V | 25.9 | Very low | 27.2 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 73.4 | 126.3 | 156.8 | 174 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 463 | S | 28.2 | Very low | 27.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -77.7 | 148.8 | 168.6 | -35.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 464 | Q | 26.5 | Very low | 26.5 | Very low | 189 Ų | 189 | 126.3 Ų | 126.3 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -133 | 135.1 | 152.7 | -73.3 | -164 | -6 | 0 | 0 | 111.1 | ||||
| 465 | T | 26.5 | Very low | 26.2 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -84.8 | 128.7 | 175.9 | -45.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 466 | A | 24.5 | Very low | 26.4 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -138 | 127.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 467 | L | 25.4 | Very low | 26.3 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -71.4 | 141 | 169.1 | -98.1 | 63 | 0 | 0 | 0 | 109.8 | ||||
| 468 | A | 24.8 | Very low | 26.3 | Very low | 100 Ų | 100 | 142.1 Ų | 142.1 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -126.2 | 118.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 469 | S | 23.6 | Very low | 26.2 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -76.1 | 147.1 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 470 | P | 27 | Very low | 26.4 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -72.7 | 144.1 | -179 | 30.7 | -35.5 | 0 | 0 | 0 | 111.7 | ||||
| 471 | S | 25.9 | Very low | 26.8 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -139 | 137.5 | 171.4 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 472 | Q | 24.3 | Very low | 26.6 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | 64.7 | 62.5 | 166.8 | -56.6 | -174.5 | 2 | 0 | 0 | 117.7 | A474 | Q472-A474 PolarHBondContact O-N 3.38Š| ||
| 473 | V | 26.5 | Very low | 26.6 | Very low | 144 Ų | 144 | 146 Ų | 146 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | trans | -64.1 | 124.5 | 150.2 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 474 | A | 25.2 | Very low | 26.7 | Very low | 83 Ų | 83 | 147.3 Ų | 147.3 | 69% | 0.686 | 82% | 0.819 | S | S | * | * | trans | -72.6 | 126.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q472 F476 | Q472-A474 PolarHBondContact O-N 3.38Å; A474-F476 PolarHBondContact O-N 3.25Å; A474-F476 VanDerWaalsContact O-N 3.14Å | ||
| 475 | R | 22.9 | Very low | 26.7 | Very low | 251 Ų | 251 | 144.6 Ų | 144.6 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -64.4 | 113.3 | 173.1 | -80.2 | -177.8 | 174.4 | 166.8 | -1.7 | 109.9 | ||||
| 476 | F | 30 | Very low | 26.8 | Very low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 141 | 165 | -111.7 | -97 | 0 | 0 | 0 | 110.7 | A474 | A474-F476 PolarHBondContact O-N 3.25Å; A474-F476 VanDerWaalsContact O-N 3.14Å | ||
| 477 | N | 24.9 | Very low | 27.2 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -87.1 | 133.4 | -175.2 | -162.2 | 20.2 | 0 | 0 | 0 | 110.5 | D479 | N477-D479 VanDerWaalsContact C-N 3.33Å; N477-D479 PolarHBondContact O-N 2.78Å | ||
| 478 | K | 26.2 | Very low | 27.2 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -80.6 | -11.1 | -165.8 | -157.7 | 165.6 | -177.1 | 171.2 | 0 | 114.3 | R480 | K478-R480 PolarHBondContact O-N 2.7Š|
| 479 | D | 27.5 | Very low | 27.6 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -98.5 | 73.8 | -168.1 | -59 | -44.3 | 0 | 0 | 0 | 113.6 | N477 | N477-D479 VanDerWaalsContact C-N 3.33Å; N477-D479 PolarHBondContact O-N 2.78Å | ||
| 480 | R | 28.5 | Very low | 27.8 | Very low | 241 Ų | 241 | 147.3 Ų | 147.3 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -156.2 | 55.4 | 163.5 | -124.3 | 175.2 | -161.8 | -164.7 | 4.3 | 116.1 | K478 P482 | K478-R480 PolarHBondContact O-N 2.7Å; R480-P482 WeakPolarHBondContact O-CD 3.34Å | ||
| 481 | V | 33.6 | Very low | 27.8 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87 | 116.5 | 161.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | A483 | V481-A483 PolarHBondContact O-N 3.41Š|
| 482 | P | 30.8 | Very low | 28 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 123.2 | 171.1 | 29.3 | -32 | 0 | 0 | 0 | 109.8 | R480 V484 | R480-P482 WeakPolarHBondContact O-CD 3.34Å; P482-V484 PolarHBondContact O-N 3.08Å |
| 483 | A | 26.3 | Very low | 28 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 127.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V481 T485 | V481-A483 PolarHBondContact O-N 3.41Å; A483-T485 PolarHBondContact O-N 2.89Å |
| 484 | V | 29.9 | Very low | 28.1 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 115.8 | 175.1 | 178 | 0 | 0 | 0 | 0 | 109.7 | P482 | P482-V484 PolarHBondContact O-N 3.08Š| ||
| 485 | T | 26.1 | Very low | 28.2 | Very low | 131 Ų | 131 | 148.7 Ų | 148.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -119.5 | 109.2 | 171.3 | 44.1 | 0 | 0 | 0 | 0 | 111.1 | A483 | A483-T485 PolarHBondContact O-N 2.89Š| ||
| 486 | S | 29.8 | Very low | 28.4 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -133.1 | 125.6 | 170.7 | -70 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 487 | P | 31.4 | Very low | 28.4 | Very low | 132 Ų | 132 | 139 Ų | 139 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -81.5 | 139.2 | -171.9 | 31.3 | -34.5 | 0 | 0 | 0 | 112.8 | ||||
| 488 | L | 27 | Very low | 28.6 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -118.5 | 133.4 | 165 | -148.2 | 73.1 | 0 | 0 | 0 | 107.9 | ||||
| 489 | P | 32.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 139.6 | -169.5 | 28.3 | -35.3 | 0 | 0 | 0 | 113.3 | ||||
| 490 | T | 27.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 137.6 | -178.9 | -21.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 491 | A | 27.8 | Very low | 28.9 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -119.8 | 148 | 157 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 492 | A | 28.8 | Very low | 28.8 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -118 | 156.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 493 | G | 25.5 | Very low | 28.8 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 112.4 | 131.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 494 | E | 27.3 | Very low | 29.1 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | cis | -150.2 | 176.9 | -6.4 | -138.4 | 176.9 | 164.7 | 0 | 0 | 111.7 | ||||
| 495 | R | 27.5 | Very low | 29.4 | Very low | 208 Ų | 208 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -108.2 | 129.9 | -160.1 | 177.4 | -170.5 | -173.6 | 177.1 | 3.5 | 111.9 | ||||
| 496 | S | 28.3 | Very low | 29.8 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -150 | 132.5 | 151.6 | -158.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 497 | Q | 29.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 64% | 0.64 | 81% | 0.809 | S | S | * | * | trans | -112.7 | 132.7 | 174.7 | -64.1 | 172 | -88.5 | 0 | 0 | 107.7 | ||||
| 498 | H | 29.5 | Very low | 30.4 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 88% | 0.884 | 84% | 0.837 | S | S | * | * | trans | -139.1 | 161.4 | 156 | -107.9 | -85.1 | 0 | 0 | 0 | 110.3 | ||||
| 499 | V | 29.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | -147 | 153.5 | -146.1 | 157.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 500 | L | 29.9 | Very low | 30.5 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 74% | 0.738 | 84% | 0.837 | S | S | * | * | trans | 84 | 131.9 | 167.8 | -80 | 159.1 | 0 | 0 | 0 | 120.5 | ||||
| 501 | Q | 29.6 | Very low | 30.7 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | 99.3 | 123.1 | 132.5 | -91.7 | 160.7 | -10.1 | 0 | 0 | 122.4 | ||||
| 502 | N | 29.9 | Very low | 30.8 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 84% | 0.836 | S | S | * | * | trans | -57.9 | 148.5 | 165.2 | -58.3 | -21.4 | 0 | 0 | 0 | 112.5 | ||||
| 503 | T | 32.2 | Very low | 31 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -134 | 163.6 | 135.3 | 29.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 504 | N | 32.9 | Very low | 31.3 | Very low | 147 Ų | 147 | 156.5 Ų | 156.5 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | trans | -116.1 | 161.6 | -168.3 | -137.8 | -12.8 | 0 | 0 | 0 | 110.4 | ||||
| 505 | Q | 34.3 | Very low | 31.6 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 72% | 0.724 | 83% | 0.83 | S | S | * | * | trans | 74.4 | 150.8 | 155.9 | -70.6 | -178.2 | -10.4 | 0 | 0 | 122.1 | ||||
| 506 | Q | 36 | Very low | 31.9 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | 62.2 | 123 | 158.8 | -69.3 | 169.1 | 5.6 | 0 | 0 | 118 | ||||
| 507 | G | 34.4 | Very low | 32.2 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 84% | 0.836 | S | S | * | * | cis | 140.9 | 116.2 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 508 | S | 39.1 | Very low | 32.5 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 100% | 1.427 | 85% | 0.854 | S | S | * | * | trans | -167.4 | 0 | 152.8 | -75.8 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 508 of 508 residues in 264.8 ms
(Link to these results)