| 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 | 28.8 | Very low | 35 | Very low | 238 Ų | 238 | 145 Ų | 145 | 100% | 1.172 | 80% | 0.796 | S | S | * | * | 0 | 153 | 0 | -80.1 | -53.2 | -169.7 | 0 | 0 | 109.1 | |||||
| 2 | P | 43.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 144 Ų | 144 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -134.4 | -169.6 | -135.9 | 40.4 | -21.7 | 0 | 0 | 0 | 114.7 | ||||
| 3 | G | 32.4 | Very low | 34.8 | Very low | 62 Ų | 62 | 138.8 Ų | 138.8 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | 122 | 121 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | M | 39.8 | Very low | 34.8 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | cis | 67.1 | 113.7 | 38 | -51.7 | 175.3 | 64.3 | 0 | 0 | 111.5 | ||||
| 5 | M | 38.4 | Very low | 34.6 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 67.9 | 143.4 | 96.5 | -59.8 | 160.7 | 169.1 | 0 | 0 | 112.1 | |||||
| 6 | D | 37 | Very low | 34.6 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 60% | 0.604 | 80% | 0.796 | S | S | * | * | cis | -164.5 | 172 | 15.5 | -156.3 | -16.6 | 0 | 0 | 0 | 109.8 | ||||
| 7 | K | 37.2 | Very low | 34.9 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 61.1 | 154.4 | 164.1 | -67.6 | 135.7 | -171.8 | 141.6 | 0 | 117.5 | ||||
| 8 | G | 30.7 | Very low | 34.8 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | 121.3 | 114.3 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | S | 32 | Very low | 34.7 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | trans | -154.3 | 160.2 | 166.7 | -164 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | E | 30.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -129.4 | -168.5 | -153.9 | -65.8 | -176.7 | 118.1 | 0 | 0 | 113.6 | ||||
| 11 | Y | 33.3 | Very low | 35.2 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 88 | 82.4 | 160.8 | -82 | -94.7 | 0 | 0 | 0 | 121.4 | ||||
| 12 | L | 36.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | 73.7 | 110.9 | 109.4 | -146.9 | 174.1 | 0 | 0 | 0 | 119.4 | |||||
| 13 | G | 31.5 | Very low | 35.6 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | -161.8 | 87 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 14 | K | 35 | Very low | 36 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -33.8 | 144.2 | 174.9 | -57.7 | 145 | -179.6 | 171.2 | 0 | 115.1 | ||||
| 15 | G | 31.9 | Very low | 35.7 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | 148.1 | 174.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 16 | R | 33.8 | Very low | 35.5 | Very low | 246 Ų | 246 | 132.9 Ų | 132.9 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 145.7 | 178.5 | -65.7 | -179.7 | 163.5 | -176.7 | -6.6 | 117.5 | ||||
| 17 | S | 40.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | 171.1 | 125.6 | -47.3 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 18 | N | 32.9 | Very low | 35.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | 53 | 135.3 | 158.3 | -54.5 | -1.4 | 0 | 0 | 0 | 118.9 | ||||
| 19 | G | 32.7 | Very low | 35.4 | Very low | 59 Ų | 59 | 131.9 Ų | 131.9 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | 147.3 | -174.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 20 | T | 33.4 | Very low | 35.6 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 72.9 | 153.8 | 169.9 | 79 | 0 | 0 | 0 | 0 | 118 | ||||
| 21 | K | 46.7 | Very low | 35.5 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | cis | -166.8 | 144.4 | -30.1 | -108 | 166 | -175.2 | -177.3 | 0 | 107.3 | ||||
| 22 | S | 41.7 | Very low | 35.4 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 44.8 | 149.3 | 149 | -46.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 23 | P | 39.5 | Very low | 35.1 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -96.6 | 160 | 158.4 | 36.1 | -30.6 | 0 | 0 | 0 | 113.6 | ||||
| 24 | S | 40 | Very low | 35.2 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -125.5 | 176.1 | 172.5 | -29.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 25 | N | 34.7 | Very low | 35.3 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | cis | -156.2 | -164.7 | 0.7 | -154.7 | 60.4 | 0 | 0 | 0 | 108.4 | ||||
| 26 | A | 33.3 | Very low | 35.8 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -110.9 | 163.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 27 | S | 33.4 | Very low | 36 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 90.7 | 120.2 | 143.8 | -152.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 28 | N | 36.8 | Very low | 36 | Very low | 164 Ų | 164 | 129 Ų | 129 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | 49.8 | 140.5 | 149.7 | -70.6 | -9.9 | 0 | 0 | 0 | 122.7 | ||||
| 29 | G | 33.7 | Very low | 36.4 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | -157.2 | -140.1 | 5.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 30 | H | 34.3 | Very low | 37.1 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -166.9 | 121.4 | 2.3 | -177.2 | 93.1 | 0 | 0 | 0 | 112.9 | ||||
| 31 | F | 29.1 | Very low | 37.7 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 61.3 | 143.5 | 160 | -86.6 | -101.8 | 0 | 0 | 0 | 125.6 | ||||
| 32 | S | 31.8 | Very low | 37.9 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 91.9 | 130.3 | 161.6 | -32.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 33 | D | 30.4 | Very low | 38.5 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | cis | -156.8 | -179.3 | -24.1 | -156.6 | -14 | 0 | 0 | 0 | 107.2 | ||||
| 34 | E | 32.9 | Very low | 39.8 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | 44.2 | 99.3 | 155.5 | 74.2 | -155.6 | 135.8 | 0 | 0 | 120 | ||||
| 35 | S | 37.4 | Very low | 41.1 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | 179 | 128.5 | 105.7 | -171.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 36 | G | 43.4 | Very low | 43.1 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -73.4 | 130.7 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 37 | S | 36.1 | Very low | 45.2 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | trans | -106.7 | 121.8 | 153.9 | -165.6 | 0 | 0 | 0 | 0 | 106.2 | D39 | S37-D39 PolarHBondContact O-N 3.09Š| ||
| 38 | D | 41.7 | Very low | 47.1 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | -75.1 | 118 | 170.1 | -162.8 | 23.8 | 0 | 0 | 0 | 106.8 | ||||
| 39 | D | 41 | Very low | 48.8 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | trans | -142.2 | 102.9 | -175 | -156.7 | -10.7 | 0 | 0 | 0 | 106.8 | S37 H41 | S37-D39 PolarHBondContact O-N 3.09Å; D39-H41 PolarHBondContact O-N 2.8Å; D39-H41 PolarHBondContact O-ND1 2.97Å | ||
| 40 | E | 48.1 | Very low | 50.8 | Low | 186 Ų | 186 | 132.2 Ų | 132.2 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | trans | -56 | 105.8 | -164.3 | -73.1 | -176.4 | 85.6 | 0 | 0 | 111 | D42 | E40-D42 PolarHBondContact O-N 3.41Š| ||
| 41 | H | 46.3 | Very low | 52.8 | Low | 158 Ų | 158 | 131.2 Ų | 131.2 | 73% | 0.731 | 72% | 0.723 | S | S | * | * | trans | -70.1 | 93.8 | 177.2 | -75.6 | 14.5 | 0 | 0 | 0 | 109.4 | D39 I43 | D39-H41 PolarHBondContact O-N 2.8Å; D39-H41 PolarHBondContact O-ND1 2.97Å; H41-I43 WeakPolarHBondContact O-CG1 3.37Å; H41-I43 PolarHBondContact O-N 3.24Å | ||
| 42 | D | 50.3 | Low | 55.3 | Low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -49 | 113 | 161.6 | 177.3 | 19.5 | 0 | 0 | 0 | 108.7 | E40 G44 | E40-D42 PolarHBondContact O-N 3.41Å; D42-G44 PolarHBondContact O-N 3.15Å; D42-G44 PolarHBondContact OD1-N 3.26Å | ||
| 43 | I | 54.6 | Low | 57.4 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | trans | -83.1 | 36.5 | -174.9 | -39.5 | -177.2 | 0 | 0 | 0 | 109.9 | H41 M45 | H41-I43 WeakPolarHBondContact O-CG1 3.37Å; H41-I43 PolarHBondContact O-N 3.24Å; I43-M45 PolarHBondContact O-N 3.24Å | ||
| 44 | G | 66.5 | Low | 59.6 | Low | 38 Ų | 38 | 129.2 Ų | 129.2 | 39% | 0.392 | 72% | 0.719 | S | S | . | * | trans | -59.2 | 125.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D42 R46 | D42-G44 PolarHBondContact O-N 3.15Å; D42-G44 PolarHBondContact OD1-N 3.26Å; G44-R46 PolarHBondContact O-N 2.82Å; G44-R46 VanDerWaalsContact O-N 3.14Å | ||
| 45 | M | 67.6 | Low | 61.8 | Low | 174 Ų | 174 | 127.9 Ų | 127.9 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | trans | -60.4 | 117 | 176.5 | -67.6 | 179 | -74 | 0 | 0 | 109.6 | I43 V47 | I43-M45 PolarHBondContact O-N 3.24Å; M45-V47 HydrophobicContact CB-CG2 4.34Å; M45-V47 PolarHBondContact O-N 2.9Å | ||
| 46 | R | 76.4 | Confident | 63.8 | Low | 180 Ų | 180 | 127.6 Ų | 127.6 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | trans | -76.5 | 92.3 | -177.3 | -59.9 | -174 | -174.1 | -144 | -1.1 | 109.9 | G44 Y51 | G44-R46 PolarHBondContact O-N 2.82Å; G44-R46 VanDerWaalsContact O-N 3.14Å; R46-Y51 HydrophobicContact CB-CD1 3.97Å; R46-Y51 HydrophobicContact CB-CD2 4.34Å; R46-Y51 HydrophobicContact CB-CE1 4.42Å; R46-Y51 HydrophobicContact CB-CG 3.92Å; R46-Y51 VanDerWaalsContact O-CB 3.29Å; R46-Y51 WeakPolarHBondContact O-CB 3.37Å | ||
| 47 | V | 76.9 | Confident | 65.3 | Low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -102.5 | 121.9 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | M45 | M45-V47 HydrophobicContact CB-CG2 4.34Å; M45-V47 PolarHBondContact O-N 2.9Å | ||
| 48 | G | 73.5 | Confident | 66.7 | Low | 23 Ų | 23 | 135.5 Ų | 135.5 | 24% | 0.237 | 71% | 0.714 | C | S | . | * | S | Bend | trans | 168.4 | 163.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | D50 Y51 Q52 | G48-D50 VanDerWaalsContact C-N 3.25Å; G48-D50 PolarHBondContact O-N 3.47Å; G48-Y51 CarbonylContact O-C 3.58Å; G48-Y51 PolarHBondContact O-N 2.69Å; G48-Q52 WeakPolarHBondContact O-CG 3.48Å; G48-Q52 PolarHBondContact O-N 2.68Å |
| 49 | A | 73.8 | Confident | 67.8 | Low | 82 Ų | 82 | 134.6 Ų | 134.6 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -59.3 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y51 Q52 | A49-Y51 PolarHBondContact O-N 3.32Å; A49-Y51 VanDerWaalsContact O-N 3.15Å; A49-Q52 PolarHBondContact O-N 2.98Å; A49-Q52 VanDerWaalsContact O-N 3.15Å |
| 50 | D | 75.4 | Confident | 68.6 | Low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -68 | -10.2 | 177.5 | -45.3 | -64.6 | 0 | 0 | 0 | 113.8 | G48 | G48-D50 VanDerWaalsContact C-N 3.25Å; G48-D50 PolarHBondContact O-N 3.47Å |
| 51 | Y | 76.4 | Confident | 68.8 | Low | 147 Ų | 147 | 128.5 Ų | 128.5 | 58% | 0.576 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -113.7 | 4.8 | 178.4 | -55.2 | -71.5 | 0 | 0 | 0 | 112.8 | R46 G48 A49 | R46-Y51 HydrophobicContact CB-CD1 3.97Å; R46-Y51 HydrophobicContact CB-CD2 4.34Å; R46-Y51 HydrophobicContact CB-CE1 4.42Å; R46-Y51 HydrophobicContact CB-CG 3.92Å; R46-Y51 VanDerWaalsContact O-CB 3.29Å; R46-Y51 WeakPolarHBondContact O-CB 3.37Å; G48-Y51 CarbonylContact O-C 3.58Å; G48-Y51 PolarHBondContact O-N 2.69Å; A49-Y51 PolarHBondContact O-N 3.32Å; A49-Y51 VanDerWaalsContact O-N 3.15Å |
| 52 | Q | 81.1 | Confident | 68.8 | Low | 138 Ų | 138 | 125.3 Ų | 125.3 | 65% | 0.645 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -104.1 | 147.9 | 174.7 | -72.1 | 176.1 | 4.9 | 0 | 0 | 110.5 | G48 A49 N54 | G48-Q52 WeakPolarHBondContact O-CG 3.48Å; G48-Q52 PolarHBondContact O-N 2.68Å; A49-Q52 PolarHBondContact O-N 2.98Å; A49-Q52 VanDerWaalsContact O-N 3.15Å; Q52-N54 PolarHBondContact O-N 2.84Å |
| 53 | A | 76.1 | Confident | 68.7 | Low | 89 Ų | 89 | 124.2 Ų | 124.2 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | -69.8 | 122.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I55 | A53-I55 PolarHBondContact O-N 3.19Š| ||
| 54 | N | 77.1 | Confident | 68.2 | Low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | trans | -76.8 | 89.1 | 175.7 | -168.9 | 24.5 | 0 | 0 | 0 | 109.8 | Q52 P56 | Q52-N54 PolarHBondContact O-N 2.84Å; N54-P56 WeakPolarHBondContact O-CD 3.44Å | ||
| 55 | I | 77.4 | Confident | 67 | Low | 143 Ų | 143 | 133 Ų | 133 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 121.4 | -176.4 | -56.4 | 177.1 | 0 | 0 | 0 | 109.3 | A53 | A53-I55 PolarHBondContact O-N 3.19Š|
| 56 | P | 79.8 | Confident | 65.7 | Low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.7 | 175.2 | -22.1 | 34.4 | 0 | 0 | 0 | 112.6 | N54 | N54-P56 WeakPolarHBondContact O-CD 3.44Š|
| 57 | E | 76.4 | Confident | 64.2 | Low | 193 Ų | 193 | 128.9 Ų | 128.9 | 90% | 0.902 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 133.5 | 177.9 | -159.6 | 163.2 | -146.9 | 0 | 0 | 110.9 | E59 | E57-E59 PolarHBondContact O-N 2.9Š|
| 58 | F | 65.5 | Low | 62.8 | Low | 156 Ų | 156 | 132.5 Ų | 132.5 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | trans | -79 | 102.5 | -171.7 | 174.3 | -100.8 | 0 | 0 | 0 | 111.4 | P60 | F58-P60 HydrophobicContact CD1-CG 4.17Å; F58-P60 HydrophobicContact CE1-CB 4.16Å; F58-P60 HydrophobicContact CE1-CG 4.01Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.35Å | ||
| 59 | E | 64.3 | Low | 61.6 | Low | 144 Ų | 144 | 137.7 Ų | 137.7 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | trans | -79.4 | 114.4 | 170.9 | -74.7 | -162.7 | 174.8 | 0 | 0 | 111.9 | E57 G61 S62 | E57-E59 PolarHBondContact O-N 2.9Å; E59-G61 PolarHBondContact O-N 2.94Å; E59-S62 PolarHBondContact O-N 3.04Å | ||
| 60 | P | 56.5 | Low | 60.4 | Low | 112 Ų | 112 | 137.9 Ų | 137.9 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 4 | -177.4 | -19 | 34.3 | 0 | 0 | 0 | 115.3 | F58 | F58-P60 HydrophobicContact CD1-CG 4.17Å; F58-P60 HydrophobicContact CE1-CB 4.16Å; F58-P60 HydrophobicContact CE1-CG 4.01Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.35Å |
| 61 | G | 53.4 | Low | 59.4 | Low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -11 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E59 I63 | E59-G61 PolarHBondContact O-N 2.94Å; G61-I63 VanDerWaalsContact C-N 3.28Å; G61-I63 PolarHBondContact O-N 3.17Å |
| 62 | S | 45.8 | Very low | 58.9 | Low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -84.9 | 6.5 | -170.5 | -149.7 | 0 | 0 | 0 | 0 | 114.4 | E59 K64 | E59-S62 PolarHBondContact O-N 3.04Å; S62-K64 PolarHBondContact O-N 2.76Å | ||
| 63 | I | 48 | Very low | 58.6 | Low | 117 Ų | 117 | 132.6 Ų | 132.6 | 60% | 0.6 | 74% | 0.743 | S | S | * | * | trans | -79.5 | 56.3 | 178.8 | -42.5 | -176.5 | 0 | 0 | 0 | 111 | G61 Y65 | G61-I63 VanDerWaalsContact C-N 3.28Å; G61-I63 PolarHBondContact O-N 3.17Å; I63-Y65 HydrophobicContact CG2-CD2 3.97Å; I63-Y65 HydrophobicContact CG2-CE2 4.4Å | ||
| 64 | K | 44.4 | Very low | 58.9 | Low | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | -105.5 | 70.8 | 151.5 | -71.2 | -171.4 | -179.7 | -178 | 0 | 107.9 | S62 T66 | S62-K64 PolarHBondContact O-N 2.76Å; K64-T66 PolarHBondContact O-N 3.03Å; K64-T66 VanDerWaalsContact O-N 3.12Å | ||
| 65 | Y | 40.7 | Very low | 59 | Low | 198 Ų | 198 | 129.5 Ų | 129.5 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -54.2 | 119.3 | 157.2 | -84 | -87.8 | 0 | 0 | 0 | 107.2 | I63 E67 | I63-Y65 HydrophobicContact CG2-CD2 3.97Å; I63-Y65 HydrophobicContact CG2-CE2 4.4Å; Y65-E67 VanDerWaalsContact C-N 3.29Å; Y65-E67 PolarHBondContact O-N 2.8Å | ||
| 66 | T | 41.6 | Very low | 59.5 | Low | 92 Ų | 92 | 125.7 Ų | 125.7 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | -66.8 | 95.9 | 166.5 | 38.6 | 0 | 0 | 0 | 0 | 107.1 | K64 K68 D69 | K64-T66 PolarHBondContact O-N 3.03Å; K64-T66 VanDerWaalsContact O-N 3.12Å; T66-K68 PolarHBondContact O-N 2.87Å; T66-D69 PolarHBondContact O-N 3.33Å; T66-D69 PolarHBondContact OG1-OD2 3.32Å | ||
| 67 | E | 44.6 | Very low | 59.7 | Low | 175 Ų | 175 | 122.2 Ų | 122.2 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -50.2 | -23 | 179.2 | -169.9 | 171.6 | -164 | 0 | 0 | 112.6 | Y65 D69 S70 | Y65-E67 VanDerWaalsContact C-N 3.29Å; Y65-E67 PolarHBondContact O-N 2.8Å; E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 3.07Å; E67-S70 PolarHBondContact O-N 3.43Å |
| 68 | K | 47.8 | Very low | 59.8 | Low | 199 Ų | 199 | 118.6 Ų | 118.6 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -61.7 | -21.3 | 173.6 | -145.5 | 174.1 | -174.6 | -176.9 | 0 | 115.7 | T66 | T66-K68 PolarHBondContact O-N 2.87Š|
| 69 | D | 46.7 | Very low | 60.4 | Low | 132 Ų | 132 | 116.3 Ų | 116.3 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -100.3 | -2.6 | 179.6 | -68.1 | -63.4 | 0 | 0 | 0 | 113.7 | T66 E67 G71 | T66-D69 PolarHBondContact O-N 3.33Å; T66-D69 PolarHBondContact OG1-OD2 3.32Å; E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 3.07Å; D69-G71 PolarHBondContact O-N 3.43Å |
| 70 | S | 48.4 | Very low | 60.8 | Low | 86 Ų | 86 | 118 Ų | 118 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | trans | -74.3 | 73.1 | 168.3 | -73.2 | 0 | 0 | 0 | 0 | 110.5 | E67 G72 | E67-S70 PolarHBondContact O-N 3.43Å; S70-G72 PolarHBondContact O-N 3.05Å | ||
| 71 | G | 56.3 | Low | 61.8 | Low | 89 Ų | 89 | 116.4 Ų | 116.4 | 92% | 0.918 | 65% | 0.65 | S | S | * | * | trans | -64.6 | 9.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D69 | D69-G71 PolarHBondContact O-N 3.43Š| ||
| 72 | G | 64.6 | Low | 63.2 | Low | 67 Ų | 67 | 114.3 Ų | 114.3 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | trans | -100.6 | 117.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S70 | S70-G72 PolarHBondContact O-N 3.05Š| ||
| 73 | M | 75.8 | Confident | 65.3 | Low | 168 Ų | 168 | 114.7 Ų | 114.7 | 83% | 0.828 | 62% | 0.62 | S | S | * | * | trans | -72.4 | 131.4 | 171 | -174.2 | 177.9 | -68.6 | 0 | 0 | 110.1 | V75 | M73-V75 HydrophobicContact CG-CG1 4.42Å; M73-V75 PolarHBondContact O-N 2.81Å | ||
| 74 | L | 80.8 | Confident | 67.2 | Low | 120 Ų | 120 | 114.8 Ų | 114.8 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | trans | -71.6 | 98.3 | 172.8 | -178.4 | 65.2 | 0 | 0 | 0 | 109.6 | W76 F110 | L74-W76 VanDerWaalsContact CD1-O 3.31Å; L74-W76 WeakPolarHBondContact CD1-O 3.43Å; L74-F110 HydrophobicContact CD2-CE1 4.31Å; L74-F110 HydrophobicContact CD2-CZ 3.78Å; L74-F110 HydrophobicContact CG-CE1 4.1Å; L74-F110 HydrophobicContact CG-CZ 3.99Å; L74-F110 WeakPolarHBondContact O-CE1 3.21Å | ||
| 75 | V | 79.2 | Confident | 69.5 | Low | 65 Ų | 65 | 110 Ų | 110 | 39% | 0.394 | 61% | 0.612 | S | S | . | * | trans | -90.2 | -19.6 | 179.6 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | M73 G107 F110 | M73-V75 HydrophobicContact CG-CG1 4.42Å; M73-V75 PolarHBondContact O-N 2.81Å; V75-G107 VanDerWaalsContact O-CA 3.27Å; V75-G107 WeakPolarHBondContact O-CA 3.44Å; V75-F110 VanDerWaalsContact O-CB 3.25Å; V75-F110 WeakPolarHBondContact O-CB 3.33Å | ||
| 76 | W | 88.4 | Confident | 71.8 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 24% | 0.235 | 60% | 0.602 | C | S | . | * | trans | -152 | 145.7 | 179.9 | 178.9 | -114.1 | 0 | 0 | 0 | 112.1 | L74 L87 L106 L109 F110 H114 | L74-W76 VanDerWaalsContact CD1-O 3.31Å; L74-W76 WeakPolarHBondContact CD1-O 3.43Å; W76-L87 HydrophobicContact CH2-CD1 4Å; W76-L87 HydrophobicContact CH2-CD2 4.4Å; W76-L87 HydrophobicContact CZ2-CD1 4.44Å; W76-L87 HydrophobicContact CZ2-CD2 4.07Å; W76-L106 HydrophobicContact CB-CB 4.21Å; W76-L106 HydrophobicContact CD2-CB 3.93Å; W76-L106 HydrophobicContact CD2-CD1 4.35Å; W76-L106 HydrophobicContact CD2-CD2 3.92Å; W76-L106 HydrophobicContact CD2-CG 4.29Å; W76-L106 HydrophobicContact CE3-CB 3.79Å; W76-L106 HydrophobicContact CE3-CD2 3.9Å; W76-L106 HydrophobicContact CE3-CG 4.38Å; W76-L106 HydrophobicContact CG-CB 4.13Å; W76-L106 HydrophobicContact CG-CD1 4.25Å; W76-L106 HydrophobicContact CH2-CD2 3.85Å; W76-L106 HydrophobicContact CZ2-CD2 3.86Å; W76-L106 HydrophobicContact CZ3-CB 4.45Å; W76-L106 HydrophobicContact CZ3-CD2 3.87Å; W76-L109 HydrophobicContact CH2-CD2 3.87Å; W76-L109 HydrophobicContact CH2-CG 4.37Å; W76-L109 HydrophobicContact CZ3-CB 4.05Å; W76-L109 HydrophobicContact CZ3-CD2 3.85Å; W76-L109 HydrophobicContact CZ3-CG 3.93Å; W76-F110 HydrophobicContact CE3-CB 4.07Å; W76-H114 AromaticContact CE3-NE2 3.94Å; W76-H114 AromaticContact CH2-CD2 3.49Å; W76-H114 VanDerWaalsContact CH2-CD2 3.49Å; W76-H114 WeakPolarHBondContact CH2-CD2 3.33Å; W76-H114 AromaticContact CH2-NE2 3.73Å; W76-H114 AromaticContact CZ3-CD2 3.44Å; W76-H114 VanDerWaalsContact CZ3-CD2 3.44Å; W76-H114 WeakPolarHBondContact CZ3-CD2 3.49Å; W76-H114 AromaticContact CZ3-NE2 3.49Å; W76-H114 WeakPolarHBondContact CZ3-NE2 3.35Å | ||
| 77 | S | 84.8 | Confident | 74.2 | Confident | 40 Ų | 40 | 103.6 Ų | 103.6 | 28% | 0.28 | 58% | 0.582 | S | S | . | * | trans | -133.9 | 144.5 | 158.6 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | F110 H114 | S77-F110 WeakPolarHBondContact OG-CE2 3.27Å; S77-H114 PolarHBondContact O-NE2 3.24Å | ||
| 78 | P | 79.1 | Confident | 76.5 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 75% | 0.753 | 57% | 0.57 | S | S | * | * | trans | -62.3 | 136.2 | 173.5 | -21.8 | 33.6 | 0 | 0 | 0 | 111.4 | ||||
| 79 | Y | 76.9 | Confident | 78.7 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | trans | -130.3 | 111.5 | 179.5 | -168 | -117.2 | 0 | 0 | 0 | 111.7 | S81 I82 H114 | Y79-S81 WeakPolarHBondContact CD1-OG 3.22Å; Y79-S81 WeakPolarHBondContact CE1-OG 3.29Å; Y79-S81 PolarHBondContact O-N 3.48Å; Y79-I82 PolarHBondContact O-N 2.63Å; Y79-H114 WeakPolarHBondContact CB-CD2 3.33Å; Y79-H114 VanDerWaalsContact CB-CG 3.45Å; Y79-H114 HydrophobicContact CD1-CB 3.43Å; Y79-H114 VanDerWaalsContact CD1-CB 3.43Å; Y79-H114 AromaticContact CD1-CG 3.72Å; Y79-H114 HydrophobicContact CE1-CB 4.08Å; Y79-H114 HydrophobicContact CG-CB 3.96Å; Y79-H114 AromaticContact CG-CG 3.68Å; Y79-H114 AromaticContact CG-ND1 3.74Å | ||
| 80 | H | 73.2 | Confident | 81 | Confident | 178 Ų | 178 | 90.2 Ų | 90.2 | 82% | 0.824 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 22.1 | -171.4 | 62.2 | 65.2 | 0 | 0 | 0 | 114.9 | ||
| 81 | S | 76.8 | Confident | 83.1 | Confident | 80 Ų | 80 | 87.5 Ų | 87.5 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -10.3 | 171.9 | 101.9 | 0 | 0 | 0 | 0 | 113.4 | Y79 | Y79-S81 WeakPolarHBondContact CD1-OG 3.22Å; Y79-S81 WeakPolarHBondContact CE1-OG 3.29Å; Y79-S81 PolarHBondContact O-N 3.48Å |
| 82 | I | 83.9 | Confident | 84.9 | Confident | 26 Ų | 26 | 85 Ų | 85 | 13% | 0.133 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -91.3 | 136.2 | 169.7 | -57.6 | -178.6 | 0 | 0 | 0 | 107.6 | Y79 K86 L87 L109 H114 I116 | Y79-I82 PolarHBondContact O-N 2.63Å; I82-K86 HydrophobicContact CG2-CB 4.42Å; I82-L87 HydrophobicContact CG2-CB 3.89Å; I82-L109 HydrophobicContact CD1-CD1 4.36Å; I82-L109 HydrophobicContact CD1-CD2 3.82Å; I82-L109 HydrophobicContact CD1-CG 4.33Å; I82-H114 HydrophobicContact CD1-CB 3.98Å; I82-I116 HydrophobicContact CD1-CD1 4.32Å; I82-I116 HydrophobicContact CD1-CG1 4.23Å; I82-I116 HydrophobicContact CG2-CD1 4Å |
| 83 | V | 90.1 | Very high | 86.2 | Confident | 98 Ų | 98 | 83.8 Ų | 83.8 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | trans | -84.6 | 130.4 | 169 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | S85 K86 L87 | V83-S85 VanDerWaalsContact C-N 3.28Å; V83-S85 PolarHBondContact O-N 2.82Å; V83-S85 VanDerWaalsContact O-N 3.12Å; V83-K86 WeakPolarHBondContact O-CA 3.13Å; V83-K86 WeakPolarHBondContact O-CB 3.3Å; V83-K86 PolarHBondContact O-N 3.12Å; V83-L87 PolarHBondContact O-N 2.84Å | ||
| 84 | D | 86.4 | Confident | 86.9 | Confident | 120 Ų | 120 | 75.8 Ų | 75.8 | 64% | 0.642 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -47.6 | -45.7 | -172.9 | -54.3 | -27.7 | 0 | 0 | 0 | 113.3 | K86 L87 D88 | D84-K86 PolarHBondContact O-N 3.16Å; D84-L87 CarbonylContact O-C 3.6Å; D84-L87 WeakPolarHBondContact O-CA 3.5Å; D84-L87 VanDerWaalsContact O-CB 3.27Å; D84-L87 WeakPolarHBondContact O-CB 3.34Å; D84-L87 PolarHBondContact O-N 3.29Å; D84-D88 PolarHBondContact O-N 3.11Å |
| 85 | S | 92.6 | Very high | 87.2 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.6 | -25.5 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 115.1 | V83 E89 | V83-S85 VanDerWaalsContact C-N 3.28Å; V83-S85 PolarHBondContact O-N 2.82Å; V83-S85 VanDerWaalsContact O-N 3.12Å; S85-E89 PolarHBondContact O-N 3.43Å |
| 86 | K | 90.8 | Very high | 87.6 | Confident | 127 Ų | 127 | 80.6 Ų | 80.6 | 55% | 0.552 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -86.7 | -27 | 173 | -65.6 | -170.1 | 173.3 | -169.4 | 0 | 112.6 | I82 V83 D84 Y90 I116 | I82-K86 HydrophobicContact CG2-CB 4.42Å; V83-K86 WeakPolarHBondContact O-CA 3.13Å; V83-K86 WeakPolarHBondContact O-CB 3.3Å; V83-K86 PolarHBondContact O-N 3.12Å; D84-K86 PolarHBondContact O-N 3.16Å; K86-Y90 WeakPolarHBondContact O-CB 3.44Å; K86-Y90 PolarHBondContact O-N 2.93Å; K86-Y90 VanDerWaalsContact O-N 3.11Å; K86-I116 HydrophobicContact CB-CD1 4.08Å |
| 87 | L | 91.3 | Very high | 87.5 | Confident | 29 Ų | 29 | 84.9 Ų | 84.9 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 171.1 | -174.7 | 59.1 | 0 | 0 | 0 | 109.9 | W76 I82 V83 D84 Y90 I91 L106 L109 | W76-L87 HydrophobicContact CH2-CD1 4Å; W76-L87 HydrophobicContact CH2-CD2 4.4Å; W76-L87 HydrophobicContact CZ2-CD1 4.44Å; W76-L87 HydrophobicContact CZ2-CD2 4.07Å; I82-L87 HydrophobicContact CG2-CB 3.89Å; V83-L87 PolarHBondContact O-N 2.84Å; D84-L87 CarbonylContact O-C 3.6Å; D84-L87 WeakPolarHBondContact O-CA 3.5Å; D84-L87 VanDerWaalsContact O-CB 3.27Å; D84-L87 WeakPolarHBondContact O-CB 3.34Å; D84-L87 PolarHBondContact O-N 3.29Å; L87-Y90 PolarHBondContact O-N 2.89Å; L87-I91 HydrophobicContact CD1-CD1 4.33Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 VanDerWaalsContact O-CG1 3.27Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 2.81Å; L87-L106 HydrophobicContact CD1-CD2 3.94Å; L87-L109 HydrophobicContact CD1-CD2 3.3Å |
| 88 | D | 92.6 | Very high | 87.3 | Confident | 104 Ų | 104 | 85 Ų | 85 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 175.5 | -66.5 | -35.8 | 0 | 0 | 0 | 112 | D84 Y90 I91 A92 | D84-D88 PolarHBondContact O-N 3.11Å; D88-Y90 VanDerWaalsContact C-N 3.34Å; D88-Y90 PolarHBondContact O-N 3.3Å; D88-I91 PolarHBondContact O-N 2.71Å; D88-A92 WeakPolarHBondContact O-CB 3.31Å; D88-A92 PolarHBondContact O-N 3.45Å |
| 89 | E | 94.3 | Very high | 87.3 | Confident | 120 Ų | 120 | 82.4 Ų | 82.4 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.8 | -43.8 | 174.8 | -176.2 | 180 | -166.8 | 0 | 0 | 111.7 | S85 A92 I93 | S85-E89 PolarHBondContact O-N 3.43Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-I93 HydrophobicContact CG-CD1 4.09Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.36Å; E89-I93 PolarHBondContact O-N 2.89Å |
| 90 | Y | 94.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.008 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.3 | 165.5 | -94.6 | 0 | 0 | 0 | 112.5 | K86 L87 D88 A92 I93 A94 A105 L109 I116 S119 L120 L123 | K86-Y90 WeakPolarHBondContact O-CB 3.44Å; K86-Y90 PolarHBondContact O-N 2.93Å; K86-Y90 VanDerWaalsContact O-N 3.11Å; L87-Y90 PolarHBondContact O-N 2.89Å; D88-Y90 VanDerWaalsContact C-N 3.34Å; D88-Y90 PolarHBondContact O-N 3.3Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 2.95Å; Y90-I93 PolarHBondContact O-N 3.11Å; Y90-A94 WeakPolarHBondContact O-CB 3.36Å; Y90-A94 PolarHBondContact O-N 2.88Å; Y90-A105 HydrophobicContact CE1-CB 4.16Å; Y90-A105 WeakPolarHBondContact CE1-O 3.5Å; Y90-A105 PolarHBondContact OH-O 2.8Å; Y90-L109 HydrophobicContact CD1-CD2 3.85Å; Y90-L109 HydrophobicContact CE1-CB 3.76Å; Y90-L109 HydrophobicContact CE1-CD2 3.89Å; Y90-L109 HydrophobicContact CE1-CG 4.31Å; Y90-I116 HydrophobicContact CD2-CG2 3.95Å; Y90-I116 HydrophobicContact CG-CG2 4.37Å; Y90-S119 PolarHBondContact OH-OG 3.48Å; Y90-L120 HydrophobicContact CD2-CD2 3.62Å; Y90-L120 HydrophobicContact CD2-CG 3.88Å; Y90-L120 HydrophobicContact CE2-CD2 3.98Å; Y90-L120 HydrophobicContact CE2-CG 4.21Å; Y90-L123 HydrophobicContact CE2-CD1 4.24Å |
| 91 | I | 93.1 | Very high | 88.3 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 178.2 | -68.9 | 164 | 0 | 0 | 0 | 110.5 | L87 D88 A94 K95 V102 L106 | L87-I91 HydrophobicContact CD1-CD1 4.33Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 VanDerWaalsContact O-CG1 3.27Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 2.81Å; D88-I91 PolarHBondContact O-N 2.71Å; I91-A94 PolarHBondContact O-N 3.18Å; I91-K95 VanDerWaalsContact O-CB 3.27Å; I91-K95 WeakPolarHBondContact O-CB 3.48Å; I91-K95 PolarHBondContact O-N 3.19Å; I91-V102 HydrophobicContact CD1-CG1 4.43Å; I91-V102 HydrophobicContact CG2-CG1 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.14Å; I91-L106 HydrophobicContact CD1-CD2 4.06Å; I91-L106 HydrophobicContact CG1-CD2 4.47Å |
| 92 | A | 93.8 | Very high | 88.9 | Confident | 37 Ų | 37 | 72 Ų | 72 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D88 E89 Y90 A94 K95 E96 | D88-A92 WeakPolarHBondContact O-CB 3.31Å; D88-A92 PolarHBondContact O-N 3.45Å; E89-A92 PolarHBondContact O-N 3.02Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 2.95Å; A92-A94 PolarHBondContact O-N 3.47Å; A92-K95 PolarHBondContact O-N 2.92Å; A92-E96 VanDerWaalsContact O-CB 3.31Å; A92-E96 WeakPolarHBondContact O-CB 3.43Å; A92-E96 WeakPolarHBondContact O-CG 3.44Å; A92-E96 PolarHBondContact O-N 3.12Å |
| 93 | I | 91.9 | Very high | 89.1 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 177.2 | -69.7 | 164.6 | 0 | 0 | 0 | 111.5 | E89 Y90 K95 K97 L120 | E89-I93 HydrophobicContact CG-CD1 4.09Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.36Å; E89-I93 PolarHBondContact O-N 2.89Å; Y90-I93 PolarHBondContact O-N 3.11Å; I93-K95 VanDerWaalsContact C-N 3.35Å; I93-K95 PolarHBondContact O-N 2.91Å; I93-K97 HydrophobicContact CG2-CD 4.37Å; I93-K97 WeakPolarHBondContact O-CB 3.39Å; I93-K97 PolarHBondContact O-N 3.39Å; I93-L120 HydrophobicContact CB-CD2 4.22Å; I93-L120 HydrophobicContact CG2-CD2 3.63Å |
| 94 | A | 90.6 | Very high | 89 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y90 I91 A92 H98 G99 Y100 A105 L123 | Y90-A94 WeakPolarHBondContact O-CB 3.36Å; Y90-A94 PolarHBondContact O-N 2.88Å; I91-A94 PolarHBondContact O-N 3.18Å; A92-A94 PolarHBondContact O-N 3.47Å; A94-H98 CarbonylContact O-C 3.55Å; A94-H98 WeakPolarHBondContact O-CA 3.29Å; A94-H98 WeakPolarHBondContact O-CB 3.33Å; A94-H98 PolarHBondContact O-N 2.91Å; A94-G99 PolarHBondContact O-N 3.46Å; A94-G99 VanDerWaalsContact O-N 3.17Å; A94-Y100 PolarHBondContact O-N 3.1Å; A94-Y100 VanDerWaalsContact O-N 3.09Å; A94-A105 HydrophobicContact CB-CB 3.72Å; A94-L123 HydrophobicContact CB-CD1 3.73Å; A94-L123 HydrophobicContact CB-CD2 3.95Å |
| 95 | K | 88.1 | Confident | 89.2 | Confident | 128 Ų | 128 | 71 Ų | 71 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.7 | -51.2 | 178.8 | -176.2 | -174.3 | 173.8 | -167.2 | 0 | 112.6 | I91 A92 I93 G99 Y100 | I91-K95 VanDerWaalsContact O-CB 3.27Å; I91-K95 WeakPolarHBondContact O-CB 3.48Å; I91-K95 PolarHBondContact O-N 3.19Å; A92-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.35Å; I93-K95 PolarHBondContact O-N 2.91Å; K95-G99 WeakPolarHBondContact O-CA 3.35Å; K95-G99 PolarHBondContact O-N 2.74Å; K95-G99 VanDerWaalsContact O-N 3.15Å; K95-Y100 WeakPolarHBondContact CA-O 3.47Å |
| 96 | E | 87.8 | Confident | 89.1 | Confident | 157 Ų | 157 | 68 Ų | 68 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -79.6 | -34 | -170.1 | -66.5 | -178.8 | 177.3 | 0 | 0 | 113.7 | A92 | A92-E96 VanDerWaalsContact O-CB 3.31Å; A92-E96 WeakPolarHBondContact O-CB 3.43Å; A92-E96 WeakPolarHBondContact O-CG 3.44Å; A92-E96 PolarHBondContact O-N 3.12Å |
| 97 | K | 84.9 | Confident | 89.1 | Confident | 153 Ų | 153 | 62.9 Ų | 62.9 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -100.8 | -21.3 | -177.2 | -60.2 | -173.8 | -175.6 | 171.3 | 0 | 114.1 | I93 | I93-K97 HydrophobicContact CG2-CD 4.37Å; I93-K97 WeakPolarHBondContact O-CB 3.39Å; I93-K97 PolarHBondContact O-N 3.39Å |
| 98 | H | 82 | Confident | 89.1 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 20% | 0.199 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -128.2 | 0.8 | -173.7 | -55.3 | -75.7 | 0 | 0 | 0 | 114 | A94 Y100 L123 | A94-H98 CarbonylContact O-C 3.55Å; A94-H98 WeakPolarHBondContact O-CA 3.29Å; A94-H98 WeakPolarHBondContact O-CB 3.33Å; A94-H98 PolarHBondContact O-N 2.91Å; H98-Y100 VanDerWaalsContact C-N 3.26Å; H98-Y100 HydrophobicContact CB-CD2 3.57Å; H98-Y100 HydrophobicContact CB-CE2 3.72Å; H98-Y100 WeakPolarHBondContact O-CD2 3.35Å; H98-Y100 PolarHBondContact O-N 2.83Å; H98-L123 HydrophobicContact CB-CB 4.35Å |
| 99 | G | 79.1 | Confident | 89 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | trans | 70.4 | 13.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A94 K95 | A94-G99 PolarHBondContact O-N 3.46Å; A94-G99 VanDerWaalsContact O-N 3.17Å; K95-G99 WeakPolarHBondContact O-CA 3.35Å; K95-G99 PolarHBondContact O-N 2.74Å; K95-G99 VanDerWaalsContact O-N 3.15Å | ||
| 100 | Y | 85.1 | Confident | 88.9 | Confident | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | trans | -71.7 | 139.5 | 179.3 | -77.6 | -111.7 | 0 | 0 | 0 | 111.3 | A94 K95 H98 Q104 M108 L123 F126 T127 P128 | A94-Y100 PolarHBondContact O-N 3.1Å; A94-Y100 VanDerWaalsContact O-N 3.09Å; K95-Y100 WeakPolarHBondContact CA-O 3.47Å; H98-Y100 VanDerWaalsContact C-N 3.26Å; H98-Y100 HydrophobicContact CB-CD2 3.57Å; H98-Y100 HydrophobicContact CB-CE2 3.72Å; H98-Y100 WeakPolarHBondContact O-CD2 3.35Å; H98-Y100 PolarHBondContact O-N 2.83Å; Y100-Q104 HydrophobicContact CD1-CB 3.7Å; Y100-Q104 HydrophobicContact CE1-CB 4.49Å; Y100-M108 HydrophobicContact CD1-CG 4.38Å; Y100-M108 HydrophobicContact CE1-CG 3.69Å; Y100-M108 HydrophobicContact CE1-SD 4.13Å; Y100-L123 HydrophobicContact CD1-CD2 4.05Å; Y100-L123 HydrophobicContact CD2-CD2 3.82Å; Y100-L123 HydrophobicContact CE1-CD2 3.84Å; Y100-L123 HydrophobicContact CE2-CB 4.24Å; Y100-L123 HydrophobicContact CE2-CD2 3.55Å; Y100-L123 HydrophobicContact CE2-CG 4.49Å; Y100-L123 WeakPolarHBondContact CE2-O 3.4Å; Y100-L123 HydrophobicContact CG-CD2 4.05Å; Y100-L123 PolarHBondContact OH-O 2.92Å; Y100-L123 VanDerWaalsContact OH-O 3.12Å; Y100-F126 WeakPolarHBondContact OH-CB 3.34Å; Y100-F126 PolarHBondContact OH-O 3.24Å; Y100-F126 VanDerWaalsContact OH-O 3.1Å; Y100-T127 PolarHBondContact OH-N 3.33Å; Y100-P128 HydrophobicContact CD2-CG 4.47Å; Y100-P128 VanDerWaalsContact CE2-CD 3.5Å; Y100-P128 HydrophobicContact CG-CG 4.48Å | ||
| 101 | N | 85.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | trans | -74.7 | 164.6 | 162.8 | 82.9 | 40.2 | 0 | 0 | 0 | 110.7 | E103 Q104 A105 | N101-E103 VanDerWaalsContact C-N 3.34Å; N101-E103 PolarHBondContact O-N 3.3Å; N101-E103 PolarHBondContact OD1-N 3.07Å; N101-Q104 VanDerWaalsContact ND2-CD 3.33Å; N101-Q104 PolarHBondContact ND2-OE1 2.83Å; N101-Q104 PolarHBondContact O-N 2.96Å; N101-Q104 WeakPolarHBondContact OD1-CG 3.21Å; N101-Q104 PolarHBondContact OD1-N 3.37Å; N101-A105 PolarHBondContact O-N 3.17Å | ||
| 102 | V | 89 | Confident | 88.6 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | -173.1 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | I91 A105 L106 | I91-V102 HydrophobicContact CD1-CG1 4.43Å; I91-V102 HydrophobicContact CG2-CG1 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.14Å; V102-A105 PolarHBondContact O-N 3.3Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.18Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.84Å |
| 103 | E | 88.3 | Confident | 88.4 | Confident | 143 Ų | 143 | 71.5 Ų | 71.5 | 67% | 0.668 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -69.5 | -35.4 | 178.7 | -63.7 | -175.2 | 172.1 | 0 | 0 | 112.1 | N101 G107 | N101-E103 VanDerWaalsContact C-N 3.34Å; N101-E103 PolarHBondContact O-N 3.3Å; N101-E103 PolarHBondContact OD1-N 3.07Å; E103-G107 WeakPolarHBondContact O-CA 3.23Å; E103-G107 PolarHBondContact O-N 3.3Å |
| 104 | Q | 87.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 70.6 Ų | 70.6 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 173.8 | -65.6 | 167.2 | -33.2 | 0 | 0 | 111.8 | Y100 N101 G107 M108 | Y100-Q104 HydrophobicContact CD1-CB 3.7Å; Y100-Q104 HydrophobicContact CE1-CB 4.49Å; N101-Q104 VanDerWaalsContact ND2-CD 3.33Å; N101-Q104 PolarHBondContact ND2-OE1 2.83Å; N101-Q104 PolarHBondContact O-N 2.96Å; N101-Q104 WeakPolarHBondContact OD1-CG 3.21Å; N101-Q104 PolarHBondContact OD1-N 3.37Å; Q104-G107 PolarHBondContact O-N 2.91Å; Q104-M108 WeakPolarHBondContact O-CG 3.45Å; Q104-M108 PolarHBondContact O-N 3.41Å |
| 105 | A | 90.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y90 A94 N101 V102 G107 M108 L109 | Y90-A105 HydrophobicContact CE1-CB 4.16Å; Y90-A105 WeakPolarHBondContact CE1-O 3.5Å; Y90-A105 PolarHBondContact OH-O 2.8Å; A94-A105 HydrophobicContact CB-CB 3.72Å; N101-A105 PolarHBondContact O-N 3.17Å; V102-A105 PolarHBondContact O-N 3.3Å; A105-G107 VanDerWaalsContact C-N 3.31Å; A105-G107 PolarHBondContact O-N 3.05Å; A105-M108 PolarHBondContact O-N 3.16Å; A105-L109 PolarHBondContact O-N 3.03Å |
| 106 | L | 91.3 | Very high | 88.5 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.141 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 172.5 | -67.9 | 177.8 | 0 | 0 | 0 | 111.8 | W76 L87 I91 V102 M108 L109 F110 | W76-L106 HydrophobicContact CB-CB 4.21Å; W76-L106 HydrophobicContact CD2-CB 3.93Å; W76-L106 HydrophobicContact CD2-CD1 4.35Å; W76-L106 HydrophobicContact CD2-CD2 3.92Å; W76-L106 HydrophobicContact CD2-CG 4.29Å; W76-L106 HydrophobicContact CE3-CB 3.79Å; W76-L106 HydrophobicContact CE3-CD2 3.9Å; W76-L106 HydrophobicContact CE3-CG 4.38Å; W76-L106 HydrophobicContact CG-CB 4.13Å; W76-L106 HydrophobicContact CG-CD1 4.25Å; W76-L106 HydrophobicContact CH2-CD2 3.85Å; W76-L106 HydrophobicContact CZ2-CD2 3.86Å; W76-L106 HydrophobicContact CZ3-CB 4.45Å; W76-L106 HydrophobicContact CZ3-CD2 3.87Å; L87-L106 HydrophobicContact CD1-CD2 3.94Å; I91-L106 HydrophobicContact CD1-CD2 4.06Å; I91-L106 HydrophobicContact CG1-CD2 4.47Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.18Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.84Å; L106-M108 PolarHBondContact O-N 3.4Å; L106-L109 PolarHBondContact O-N 3.47Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 2.83Å |
| 107 | G | 90.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.2 | -48.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V75 E103 Q104 A105 F110 W111 | V75-G107 VanDerWaalsContact O-CA 3.27Å; V75-G107 WeakPolarHBondContact O-CA 3.44Å; E103-G107 WeakPolarHBondContact O-CA 3.23Å; E103-G107 PolarHBondContact O-N 3.3Å; Q104-G107 PolarHBondContact O-N 2.91Å; A105-G107 VanDerWaalsContact C-N 3.31Å; A105-G107 PolarHBondContact O-N 3.05Å; G107-F110 PolarHBondContact O-N 3.28Å; G107-W111 WeakPolarHBondContact O-CB 3.24Å; G107-W111 PolarHBondContact O-N 2.98Å |
| 108 | M | 90.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 175.8 | -66.2 | -94.8 | 56.6 | 0 | 0 | 111.2 | Y100 Q104 A105 L106 F110 W111 H112 F126 | Y100-M108 HydrophobicContact CD1-CG 4.38Å; Y100-M108 HydrophobicContact CE1-CG 3.69Å; Y100-M108 HydrophobicContact CE1-SD 4.13Å; Q104-M108 WeakPolarHBondContact O-CG 3.45Å; Q104-M108 PolarHBondContact O-N 3.41Å; A105-M108 PolarHBondContact O-N 3.16Å; L106-M108 PolarHBondContact O-N 3.4Å; M108-F110 VanDerWaalsContact C-N 3.3Å; M108-F110 PolarHBondContact O-N 2.94Å; M108-W111 HydrophobicContact CE-CB 4.26Å; M108-W111 HydrophobicContact CE-CG 4.25Å; M108-W111 WeakPolarHBondContact O-CB 3.44Å; M108-W111 PolarHBondContact O-N 3.13Å; M108-W111 VanDerWaalsContact O-N 3.16Å; M108-H112 PolarHBondContact O-CD2 3.4Å; M108-H112 PolarHBondContact O-N 2.82Å; M108-F126 HydrophobicContact SD-CB 3.97Å; M108-F126 HydrophobicContact SD-CD2 4.31Å; M108-F126 HydrophobicContact SD-CG 4.34Å |
| 109 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 178.6 | -174.5 | 58.5 | 0 | 0 | 0 | 112.5 | W76 I82 L87 Y90 A105 L106 H112 K113 H114 I116 | W76-L109 HydrophobicContact CH2-CD2 3.87Å; W76-L109 HydrophobicContact CH2-CG 4.37Å; W76-L109 HydrophobicContact CZ3-CB 4.05Å; W76-L109 HydrophobicContact CZ3-CD2 3.85Å; W76-L109 HydrophobicContact CZ3-CG 3.93Å; I82-L109 HydrophobicContact CD1-CD1 4.36Å; I82-L109 HydrophobicContact CD1-CD2 3.82Å; I82-L109 HydrophobicContact CD1-CG 4.33Å; L87-L109 HydrophobicContact CD1-CD2 3.3Å; Y90-L109 HydrophobicContact CD1-CD2 3.85Å; Y90-L109 HydrophobicContact CE1-CB 3.76Å; Y90-L109 HydrophobicContact CE1-CD2 3.89Å; Y90-L109 HydrophobicContact CE1-CG 4.31Å; A105-L109 PolarHBondContact O-N 3.03Å; L106-L109 PolarHBondContact O-N 3.47Å; L109-H112 PolarHBondContact O-N 3.44Å; L109-K113 PolarHBondContact O-N 3.36Å; L109-H114 VanDerWaalsContact O-CA 3.31Å; L109-H114 WeakPolarHBondContact O-CA 3.24Å; L109-H114 PolarHBondContact O-N 2.99Å; L109-I116 HydrophobicContact CD1-CB 4.49Å; L109-I116 HydrophobicContact CD1-CG1 3.88Å |
| 110 | F | 91.7 | Very high | 89.9 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 26% | 0.263 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 172.3 | -177.5 | -116.6 | 0 | 0 | 0 | 111.8 | L74 V75 W76 S77 L106 G107 M108 H112 K113 H114 | L74-F110 HydrophobicContact CD2-CE1 4.31Å; L74-F110 HydrophobicContact CD2-CZ 3.78Å; L74-F110 HydrophobicContact CG-CE1 4.1Å; L74-F110 HydrophobicContact CG-CZ 3.99Å; L74-F110 WeakPolarHBondContact O-CE1 3.21Å; V75-F110 VanDerWaalsContact O-CB 3.25Å; V75-F110 WeakPolarHBondContact O-CB 3.33Å; W76-F110 HydrophobicContact CE3-CB 4.07Å; S77-F110 WeakPolarHBondContact OG-CE2 3.27Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 2.83Å; G107-F110 PolarHBondContact O-N 3.28Å; M108-F110 VanDerWaalsContact C-N 3.3Å; M108-F110 PolarHBondContact O-N 2.94Å; F110-H112 VanDerWaalsContact C-N 3.28Å; F110-H112 PolarHBondContact O-N 3.45Å; F110-K113 WeakPolarHBondContact O-CA 3.46Å; F110-K113 PolarHBondContact O-N 2.97Å; F110-H114 AromaticContact CD2-CE1 3.67Å |
| 111 | W | 89.4 | Confident | 90.1 | Very high | 198 Ų | 198 | 68.2 Ų | 68.2 | 75% | 0.75 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.1 | -41.1 | 175.4 | -173.4 | -88.4 | 0 | 0 | 0 | 112.4 | G107 M108 K113 | G107-W111 WeakPolarHBondContact O-CB 3.24Å; G107-W111 PolarHBondContact O-N 2.98Å; M108-W111 HydrophobicContact CE-CB 4.26Å; M108-W111 HydrophobicContact CE-CG 4.25Å; M108-W111 WeakPolarHBondContact O-CB 3.44Å; M108-W111 PolarHBondContact O-N 3.13Å; M108-W111 VanDerWaalsContact O-N 3.16Å; W111-K113 PolarHBondContact O-N 2.71Å |
| 112 | H | 91.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 67.3 Ų | 67.3 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 14.7 | 175 | -67.9 | -75.8 | 0 | 0 | 0 | 114.3 | M108 L109 F110 H114 N115 K118 S119 D122 | M108-H112 PolarHBondContact O-CD2 3.4Å; M108-H112 PolarHBondContact O-N 2.82Å; L109-H112 PolarHBondContact O-N 3.44Å; F110-H112 VanDerWaalsContact C-N 3.28Å; F110-H112 PolarHBondContact O-N 3.45Å; H112-H114 VanDerWaalsContact C-N 3.34Å; H112-H114 PolarHBondContact O-N 2.73Å; H112-N115 VanDerWaalsContact O-CB 3.29Å; H112-N115 WeakPolarHBondContact O-CB 3.41Å; H112-N115 PolarHBondContact O-N 2.79Å; H112-K118 HydrophobicContact CB-CB 4.34Å; H112-S119 VanDerWaalsContact CD2-CA 3.49Å; H112-S119 WeakPolarHBondContact CD2-CA 3.36Å; H112-D122 IonicContact CE1-OD2 2.71Å; H112-D122 PolarHBondContact CE1-OD2 3.23Å; H112-D122 IonicContact NE2-OD2 2.68Å |
| 113 | K | 89.4 | Confident | 90.1 | Very high | 183 Ų | 183 | 63.9 Ų | 63.9 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 49 | -178.9 | -56.7 | -175.7 | 179.8 | -174.8 | 0 | 112.2 | L109 F110 W111 N115 | L109-K113 PolarHBondContact O-N 3.36Å; F110-K113 WeakPolarHBondContact O-CA 3.46Å; F110-K113 PolarHBondContact O-N 2.97Å; W111-K113 PolarHBondContact O-N 2.71Å; K113-N115 PolarHBondContact O-N 3.24Å; K113-N115 VanDerWaalsContact O-N 3.16Å |
| 114 | H | 91.4 | Very high | 89.8 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 20.4 | 178.2 | -57.6 | 92.7 | 0 | 0 | 0 | 114.4 | W76 S77 Y79 I82 L109 F110 H112 I116 | W76-H114 AromaticContact CE3-NE2 3.94Å; W76-H114 AromaticContact CH2-CD2 3.49Å; W76-H114 VanDerWaalsContact CH2-CD2 3.49Å; W76-H114 WeakPolarHBondContact CH2-CD2 3.33Å; W76-H114 AromaticContact CH2-NE2 3.73Å; W76-H114 AromaticContact CZ3-CD2 3.44Å; W76-H114 VanDerWaalsContact CZ3-CD2 3.44Å; W76-H114 WeakPolarHBondContact CZ3-CD2 3.49Å; W76-H114 AromaticContact CZ3-NE2 3.49Å; W76-H114 WeakPolarHBondContact CZ3-NE2 3.35Å; S77-H114 PolarHBondContact O-NE2 3.24Å; Y79-H114 WeakPolarHBondContact CB-CD2 3.33Å; Y79-H114 VanDerWaalsContact CB-CG 3.45Å; Y79-H114 HydrophobicContact CD1-CB 3.43Å; Y79-H114 VanDerWaalsContact CD1-CB 3.43Å; Y79-H114 AromaticContact CD1-CG 3.72Å; Y79-H114 HydrophobicContact CE1-CB 4.08Å; Y79-H114 HydrophobicContact CG-CB 3.96Å; Y79-H114 AromaticContact CG-CG 3.68Å; Y79-H114 AromaticContact CG-ND1 3.74Å; I82-H114 HydrophobicContact CD1-CB 3.98Å; L109-H114 VanDerWaalsContact O-CA 3.31Å; L109-H114 WeakPolarHBondContact O-CA 3.24Å; L109-H114 PolarHBondContact O-N 2.99Å; F110-H114 AromaticContact CD2-CE1 3.67Å; H112-H114 VanDerWaalsContact C-N 3.34Å; H112-H114 PolarHBondContact O-N 2.73Å; H114-I116 PolarHBondContact O-N 3.16Å |
| 115 | N | 90.2 | Very high | 89.3 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | trans | -89.8 | 102.6 | 173.9 | -170.7 | -78.3 | 0 | 0 | 0 | 111.3 | H112 K113 E117 K118 S119 | H112-N115 VanDerWaalsContact O-CB 3.29Å; H112-N115 WeakPolarHBondContact O-CB 3.41Å; H112-N115 PolarHBondContact O-N 2.79Å; K113-N115 PolarHBondContact O-N 3.24Å; K113-N115 VanDerWaalsContact O-N 3.16Å; N115-E117 PolarHBondContact O-N 3.18Å; N115-E117 PolarHBondContact OD1-N 3.17Å; N115-K118 HydrophobicContact CB-CB 4.37Å; N115-K118 HydrophobicContact CB-CD 4.25Å; N115-K118 WeakPolarHBondContact OD1-CB 3.49Å; N115-K118 VanDerWaalsContact OD1-CG 3.23Å; N115-K118 WeakPolarHBondContact OD1-CG 3.42Å; N115-K118 PolarHBondContact OD1-N 2.93Å; N115-S119 PolarHBondContact O-N 3.07Å; N115-S119 VanDerWaalsContact O-N 3.12Å | ||
| 116 | I | 91.3 | Very high | 88.4 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -48.2 | -179.1 | -65.9 | 174.4 | 0 | 0 | 0 | 111.7 | I82 K86 Y90 L109 H114 K118 S119 L120 | I82-I116 HydrophobicContact CD1-CD1 4.32Å; I82-I116 HydrophobicContact CD1-CG1 4.23Å; I82-I116 HydrophobicContact CG2-CD1 4Å; K86-I116 HydrophobicContact CB-CD1 4.08Å; Y90-I116 HydrophobicContact CD2-CG2 3.95Å; Y90-I116 HydrophobicContact CG-CG2 4.37Å; L109-I116 HydrophobicContact CD1-CB 4.49Å; L109-I116 HydrophobicContact CD1-CG1 3.88Å; H114-I116 PolarHBondContact O-N 3.16Å; I116-K118 PolarHBondContact O-N 3.35Å; I116-S119 PolarHBondContact O-N 3.46Å; I116-L120 HydrophobicContact CG2-CD1 3.77Å; I116-L120 HydrophobicContact CG2-CG 4.1Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 WeakPolarHBondContact O-CG 3.46Å; I116-L120 PolarHBondContact O-N 3.19Å |
| 117 | E | 90.8 | Very high | 87.1 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 74% | 0.738 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | -174.9 | -65.1 | 171 | -178 | 0 | 0 | 112.7 | N115 A121 | N115-E117 PolarHBondContact O-N 3.18Å; N115-E117 PolarHBondContact OD1-N 3.17Å; E117-A121 PolarHBondContact O-N 2.88Å; E117-A121 VanDerWaalsContact O-N 3.14Å |
| 118 | K | 89.9 | Confident | 85.4 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 175.7 | -71.7 | 173.3 | -174.7 | 179.7 | 0 | 111.6 | H112 N115 I116 A121 D122 | H112-K118 HydrophobicContact CB-CB 4.34Å; N115-K118 HydrophobicContact CB-CB 4.37Å; N115-K118 HydrophobicContact CB-CD 4.25Å; N115-K118 WeakPolarHBondContact OD1-CB 3.49Å; N115-K118 VanDerWaalsContact OD1-CG 3.23Å; N115-K118 WeakPolarHBondContact OD1-CG 3.42Å; N115-K118 PolarHBondContact OD1-N 2.93Å; I116-K118 PolarHBondContact O-N 3.35Å; K118-A121 PolarHBondContact O-N 2.89Å; K118-D122 PolarHBondContact O-N 3.31Å |
| 119 | S | 92.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | Y90 H112 N115 I116 A121 D122 L123 | Y90-S119 PolarHBondContact OH-OG 3.48Å; H112-S119 VanDerWaalsContact CD2-CA 3.49Å; H112-S119 WeakPolarHBondContact CD2-CA 3.36Å; N115-S119 PolarHBondContact O-N 3.07Å; N115-S119 VanDerWaalsContact O-N 3.12Å; I116-S119 PolarHBondContact O-N 3.46Å; S119-A121 VanDerWaalsContact C-N 3.27Å; S119-A121 PolarHBondContact O-N 3.38Å; S119-D122 PolarHBondContact O-N 3.28Å; S119-D122 VanDerWaalsContact O-N 3.12Å; S119-L123 WeakPolarHBondContact O-CG 3.35Å; S119-L123 PolarHBondContact O-N 3.16Å |
| 120 | L | 90.3 | Very high | 81.6 | Confident | 56 Ų | 56 | 83.6 Ų | 83.6 | 29% | 0.293 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 174.1 | -73.1 | 177.7 | 0 | 0 | 0 | 113.2 | Y90 I93 I116 D122 L123 | Y90-L120 HydrophobicContact CD2-CD2 3.62Å; Y90-L120 HydrophobicContact CD2-CG 3.88Å; Y90-L120 HydrophobicContact CE2-CD2 3.98Å; Y90-L120 HydrophobicContact CE2-CG 4.21Å; I93-L120 HydrophobicContact CB-CD2 4.22Å; I93-L120 HydrophobicContact CG2-CD2 3.63Å; I116-L120 HydrophobicContact CG2-CD1 3.77Å; I116-L120 HydrophobicContact CG2-CG 4.1Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 WeakPolarHBondContact O-CG 3.46Å; I116-L120 PolarHBondContact O-N 3.19Å; L120-D122 VanDerWaalsContact C-N 3.33Å; L120-L123 HydrophobicContact CD2-CD1 3.78Å |
| 121 | A | 90.1 | Very high | 80.2 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 54% | 0.537 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.8 | -27.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E117 K118 S119 | E117-A121 PolarHBondContact O-N 2.88Å; E117-A121 VanDerWaalsContact O-N 3.14Å; K118-A121 PolarHBondContact O-N 2.89Å; S119-A121 VanDerWaalsContact C-N 3.27Å; S119-A121 PolarHBondContact O-N 3.38Å |
| 122 | D | 87.4 | Confident | 79.2 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -100.4 | -13.4 | -178.7 | -85.1 | -45.5 | 0 | 0 | 0 | 114.4 | H112 K118 S119 L120 P124 N125 F126 | H112-D122 IonicContact CE1-OD2 2.71Å; H112-D122 PolarHBondContact CE1-OD2 3.23Å; H112-D122 IonicContact NE2-OD2 2.68Å; K118-D122 PolarHBondContact O-N 3.31Å; S119-D122 PolarHBondContact O-N 3.28Å; S119-D122 VanDerWaalsContact O-N 3.12Å; L120-D122 VanDerWaalsContact C-N 3.33Å; D122-P124 VanDerWaalsContact C-N 3.31Å; D122-N125 WeakPolarHBondContact O-CA 3.35Å; D122-N125 WeakPolarHBondContact O-CB 3.47Å; D122-N125 PolarHBondContact O-N 3.28Å; D122-N125 PolarHBondContact OD1-ND2 3.17Å; D122-F126 HydrophobicContact CB-CD2 4.09Å; D122-F126 HydrophobicContact CB-CE2 4.16Å; D122-F126 WeakPolarHBondContact O-CD2 3.45Å; D122-F126 PolarHBondContact O-N 3.19Å; D122-F126 VanDerWaalsContact O-N 3.14Å |
| 123 | L | 86.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -41.4 | 170.4 | -74.5 | 174.9 | 0 | 0 | 0 | 114 | Y90 A94 H98 Y100 S119 L120 N125 T127 | Y90-L123 HydrophobicContact CE2-CD1 4.24Å; A94-L123 HydrophobicContact CB-CD1 3.73Å; A94-L123 HydrophobicContact CB-CD2 3.95Å; H98-L123 HydrophobicContact CB-CB 4.35Å; Y100-L123 HydrophobicContact CD1-CD2 4.05Å; Y100-L123 HydrophobicContact CD2-CD2 3.82Å; Y100-L123 HydrophobicContact CE1-CD2 3.84Å; Y100-L123 HydrophobicContact CE2-CB 4.24Å; Y100-L123 HydrophobicContact CE2-CD2 3.55Å; Y100-L123 HydrophobicContact CE2-CG 4.49Å; Y100-L123 WeakPolarHBondContact CE2-O 3.4Å; Y100-L123 HydrophobicContact CG-CD2 4.05Å; Y100-L123 PolarHBondContact OH-O 2.92Å; Y100-L123 VanDerWaalsContact OH-O 3.12Å; S119-L123 WeakPolarHBondContact O-CG 3.35Å; S119-L123 PolarHBondContact O-N 3.16Å; L120-L123 HydrophobicContact CD2-CD1 3.78Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-N125 PolarHBondContact O-N 2.93Å; L123-T127 PolarHBondContact O-N 3.37Å; L123-T127 PolarHBondContact O-OG1 2.88Å |
| 124 | P | 82 | Confident | 78.2 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -36.1 | 174.9 | -18.6 | 31.3 | 0 | 0 | 0 | 112.6 | D122 T127 | D122-P124 VanDerWaalsContact C-N 3.31Å; P124-T127 WeakPolarHBondContact CA-OG1 3.26Å; P124-T127 PolarHBondContact O-OG1 3.18Å |
| 125 | N | 77.6 | Confident | 77.7 | Confident | 110 Ų | 110 | 85 Ų | 85 | 59% | 0.588 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -28 | -172.9 | -60.7 | -30.5 | 0 | 0 | 0 | 112.6 | D122 L123 | D122-N125 WeakPolarHBondContact O-CA 3.35Å; D122-N125 WeakPolarHBondContact O-CB 3.47Å; D122-N125 PolarHBondContact O-N 3.28Å; D122-N125 PolarHBondContact OD1-ND2 3.17Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-N125 PolarHBondContact O-N 2.93Å |
| 126 | F | 72.1 | Confident | 77.3 | Confident | 121 Ų | 121 | 88.3 Ų | 88.3 | 53% | 0.531 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 13.4 | -179.7 | -63.4 | -75.6 | 0 | 0 | 0 | 113.9 | Y100 M108 D122 P128 | Y100-F126 WeakPolarHBondContact OH-CB 3.34Å; Y100-F126 PolarHBondContact OH-O 3.24Å; Y100-F126 VanDerWaalsContact OH-O 3.1Å; M108-F126 HydrophobicContact SD-CB 3.97Å; M108-F126 HydrophobicContact SD-CD2 4.31Å; M108-F126 HydrophobicContact SD-CG 4.34Å; D122-F126 HydrophobicContact CB-CD2 4.09Å; D122-F126 HydrophobicContact CB-CE2 4.16Å; D122-F126 WeakPolarHBondContact O-CD2 3.45Å; D122-F126 PolarHBondContact O-N 3.19Å; D122-F126 VanDerWaalsContact O-N 3.14Å; F126-P128 WeakPolarHBondContact O-CD 3.46Å |
| 127 | T | 62.6 | Low | 77.3 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | trans | -41.6 | 109 | 178 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | Y100 L123 P124 F129 | Y100-T127 PolarHBondContact OH-N 3.33Å; L123-T127 PolarHBondContact O-N 3.37Å; L123-T127 PolarHBondContact O-OG1 2.88Å; P124-T127 WeakPolarHBondContact CA-OG1 3.26Å; P124-T127 PolarHBondContact O-OG1 3.18Å; T127-F129 PolarHBondContact O-N 2.79Å | ||
| 128 | P | 55.7 | Low | 77.2 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 23% | 0.234 | 44% | 0.435 | C | S | . | . | trans | -67.8 | 139 | -173 | 25.7 | -33.1 | 0 | 0 | 0 | 109.8 | Y100 F126 P130 | Y100-P128 HydrophobicContact CD2-CG 4.47Å; Y100-P128 VanDerWaalsContact CE2-CD 3.5Å; Y100-P128 HydrophobicContact CG-CG 4.48Å; F126-P128 WeakPolarHBondContact O-CD 3.46Å; P128-P130 WeakPolarHBondContact O-CD 3.48Å | ||
| 129 | F | 45.5 | Very low | 77.2 | Confident | 201 Ų | 201 | 81.8 Ų | 81.8 | 88% | 0.882 | 43% | 0.434 | S | S | * | . | trans | -60.5 | 123.1 | 164.5 | -123.4 | -90.8 | 0 | 0 | 0 | 107.3 | T127 D131 | T127-F129 PolarHBondContact O-N 2.79Å; F129-D131 PolarHBondContact O-N 3.26Å | ||
| 130 | P | 55.8 | Low | 77.1 | Confident | 105 Ų | 105 | 85 Ų | 85 | 68% | 0.682 | 45% | 0.452 | S | S | * | . | trans | -69.7 | 104.6 | -169.4 | 25.3 | -33.6 | 0 | 0 | 0 | 110.8 | P128 E132 | P128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-E132 PolarHBondContact O-N 2.89Å | ||
| 131 | D | 62.9 | Low | 77.3 | Confident | 161 Ų | 161 | 82.4 Ų | 82.4 | 86% | 0.861 | 44% | 0.438 | S | S | * | . | trans | -75.9 | 33.5 | 174.1 | -168.6 | 36 | 0 | 0 | 0 | 112 | F129 | F129-D131 PolarHBondContact O-N 3.26Š| ||
| 132 | E | 68.1 | Low | 77.4 | Confident | 143 Ų | 143 | 82.7 Ų | 82.7 | 67% | 0.668 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -119.8 | 127.8 | -173.8 | -66.4 | -157.3 | 145.9 | 0 | 0 | 111.2 | P130 T134 | P130-E132 PolarHBondContact O-N 2.89Å; E132-T134 PolarHBondContact O-N 3.1Å; E132-T134 VanDerWaalsContact O-N 3.09Å |
| 133 | W | 78.3 | Confident | 77.6 | Confident | 31 Ų | 31 | 85 Ų | 85 | 12% | 0.117 | 44% | 0.437 | C | S | . | . | trans | -50 | 112.6 | 166.7 | -81.8 | 73.5 | 0 | 0 | 0 | 110.4 | D137 K138 F141 L159 K162 S166 L167 Y170 | W133-D137 HydrophobicContact CD2-CB 4.41Å; W133-D137 HydrophobicContact CE3-CB 3.61Å; W133-D137 HydrophobicContact CZ3-CB 4.09Å; W133-K138 HydrophobicContact CB-CG 4.21Å; W133-K138 HydrophobicContact CE3-CG 4.28Å; W133-K138 WeakPolarHBondContact O-CE 3.35Å; W133-K138 PolarHBondContact O-NZ 3.44Å; W133-F141 HydrophobicContact CH2-CB 4.12Å; W133-F141 AromaticContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CG 4.18Å; W133-F141 HydrophobicContact CZ3-CB 3.65Å; W133-F141 HydrophobicContact CZ3-CD2 4.25Å; W133-F141 HydrophobicContact CZ3-CG 4.11Å; W133-L159 HydrophobicContact CH2-CD1 4.12Å; W133-L159 HydrophobicContact CZ3-CD1 4.04Å; W133-K162 HydrophobicContact CH2-CG 4.41Å; W133-K162 HydrophobicContact CZ2-CB 4.39Å; W133-K162 HydrophobicContact CZ2-CG 4.32Å; W133-S166 PolarHBondContact NE1-OG 2.61Å; W133-L167 HydrophobicContact CH2-CD2 3.61Å; W133-L167 HydrophobicContact CZ2-CD2 3.98Å; W133-Y170 HydrophobicContact CD2-CD1 4.46Å; W133-Y170 AromaticContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CE2 4.24Å; W133-Y170 AromaticContact CD2-CG 3.81Å; W133-Y170 HydrophobicContact CD2-CG 3.81Å; W133-Y170 AromaticContact CE2-CD2 3.93Å; W133-Y170 AromaticContact CE2-CG 3.73Å; W133-Y170 HydrophobicContact CE3-CD1 4.13Å; W133-Y170 AromaticContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CE1 4.38Å; W133-Y170 HydrophobicContact CE3-CE2 4.23Å; W133-Y170 AromaticContact CE3-CG 3.94Å; W133-Y170 HydrophobicContact CE3-CG 3.94Å; W133-Y170 AromaticContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CE2 4.42Å; W133-Y170 AromaticContact CH2-CD1 3.93Å; W133-Y170 HydrophobicContact CH2-CD1 3.93Å; W133-Y170 AromaticContact CH2-CG 3.92Å; W133-Y170 HydrophobicContact CH2-CG 3.92Å; W133-Y170 VanDerWaalsContact CZ2-CB 3.42Å; W133-Y170 HydrophobicContact CZ2-CD1 4.27Å; W133-Y170 HydrophobicContact CZ2-CD2 4.45Å; W133-Y170 AromaticContact CZ2-CG 3.79Å; W133-Y170 HydrophobicContact CZ2-CG 3.79Å; W133-Y170 AromaticContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD2 4.49Å; W133-Y170 HydrophobicContact CZ3-CE1 4.29Å; W133-Y170 HydrophobicContact CZ3-CG 4.01Å | ||
| 134 | T | 82.4 | Confident | 77.8 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 37% | 0.368 | 44% | 0.439 | S | S | . | . | trans | -70.1 | 174.9 | 179.3 | 80.8 | 0 | 0 | 0 | 0 | 111.2 | E132 E136 D137 K138 | E132-T134 PolarHBondContact O-N 3.1Å; E132-T134 VanDerWaalsContact O-N 3.09Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 WeakPolarHBondContact CB-OE2 3.44Å; T134-E136 PolarHBondContact OG1-N 3.15Å; T134-E136 PolarHBondContact OG1-OE2 3.26Å; T134-D137 PolarHBondContact N-OD2 3Å; T134-D137 PolarHBondContact OG1-N 3.12Å; T134-D137 PolarHBondContact OG1-OD2 3.16Å; T134-K138 VanDerWaalsContact O-CD 3.27Å; T134-K138 WeakPolarHBondContact O-CD 3.44Å; T134-K138 WeakPolarHBondContact O-CG 3.31Å; T134-K138 PolarHBondContact O-N 3.2Å | ||
| 135 | I | 79.8 | Confident | 78.4 | Confident | 129 Ų | 129 | 84.2 Ų | 84.2 | 66% | 0.662 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.6 | -37.4 | 176.3 | -59.6 | 178.1 | 0 | 0 | 0 | 109.4 | K138 V139 | I135-K138 PolarHBondContact O-N 3.26Å; I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 2.89Å; I135-V139 VanDerWaalsContact O-N 3.08Å |
| 136 | E | 82.8 | Confident | 78.9 | Confident | 125 Ų | 125 | 82.7 Ų | 82.7 | 58% | 0.584 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 173.8 | -53.3 | 73.6 | -161.7 | 0 | 0 | 111.3 | T134 K138 V139 L140 | T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 WeakPolarHBondContact CB-OE2 3.44Å; T134-E136 PolarHBondContact OG1-N 3.15Å; T134-E136 PolarHBondContact OG1-OE2 3.26Å; E136-K138 VanDerWaalsContact C-N 3.28Å; E136-K138 PolarHBondContact O-N 3.3Å; E136-V139 PolarHBondContact O-N 2.87Å; E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 3.49Å |
| 137 | D | 90.4 | Very high | 79.6 | Confident | 15 Ų | 15 | 83.8 Ų | 83.8 | 8% | 0.08 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.3 | -44 | 175.8 | -75.5 | -52.8 | 0 | 0 | 0 | 112.1 | W133 T134 L140 F141 K162 | W133-D137 HydrophobicContact CD2-CB 4.41Å; W133-D137 HydrophobicContact CE3-CB 3.61Å; W133-D137 HydrophobicContact CZ3-CB 4.09Å; T134-D137 PolarHBondContact N-OD2 3Å; T134-D137 PolarHBondContact OG1-N 3.12Å; T134-D137 PolarHBondContact OG1-OD2 3.16Å; D137-L140 PolarHBondContact O-N 3.07Å; D137-F141 WeakPolarHBondContact O-CB 3.42Å; D137-F141 PolarHBondContact O-N 3.21Å; D137-K162 VanDerWaalsContact CG-CE 3.45Å; D137-K162 WeakPolarHBondContact OD1-CE 3.43Å; D137-K162 IonicContact OD1-NZ 3.77Å; D137-K162 PolarHBondContact OD1-NZ 3.5Å; D137-K162 WeakPolarHBondContact OD2-CE 3.35Å; D137-K162 IonicContact OD2-NZ 3.96Å; D137-K162 PolarHBondContact OD2-NZ 2.9Å |
| 138 | K | 88.4 | Confident | 80.9 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 35% | 0.352 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | -177.4 | -68.1 | 163.9 | 176 | 139.6 | 0 | 111 | W133 T134 I135 E136 E142 Y170 | W133-K138 HydrophobicContact CB-CG 4.21Å; W133-K138 HydrophobicContact CE3-CG 4.28Å; W133-K138 WeakPolarHBondContact O-CE 3.35Å; W133-K138 PolarHBondContact O-NZ 3.44Å; T134-K138 VanDerWaalsContact O-CD 3.27Å; T134-K138 WeakPolarHBondContact O-CD 3.44Å; T134-K138 WeakPolarHBondContact O-CG 3.31Å; T134-K138 PolarHBondContact O-N 3.2Å; I135-K138 PolarHBondContact O-N 3.26Å; E136-K138 VanDerWaalsContact C-N 3.28Å; E136-K138 PolarHBondContact O-N 3.3Å; K138-E142 WeakPolarHBondContact O-CB 3.21Å; K138-E142 PolarHBondContact O-N 2.83Å; K138-Y170 HydrophobicContact CG-CE2 3.98Å; K138-Y170 WeakPolarHBondContact CG-OH 3.32Å |
| 139 | V | 90.3 | Very high | 82.5 | Confident | 91 Ų | 91 | 82.8 Ų | 82.8 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.8 | -43.6 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I135 E136 F141 E142 Q143 | I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 2.89Å; I135-V139 VanDerWaalsContact O-N 3.08Å; E136-V139 PolarHBondContact O-N 2.87Å; V139-F141 PolarHBondContact O-N 2.84Å; V139-E142 PolarHBondContact O-N 3.28Å; V139-Q143 WeakPolarHBondContact O-CB 3.39Å; V139-Q143 PolarHBondContact O-N 3.32Å |
| 140 | L | 91.4 | Very high | 84.7 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.5 | -81.2 | 164.1 | 0 | 0 | 0 | 112 | E136 D137 A144 L159 | E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 3.49Å; D137-L140 PolarHBondContact O-N 3.07Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.27Å; L140-L159 HydrophobicContact CB-CD1 4.39Å; L140-L159 HydrophobicContact CB-CD2 3.74Å; L140-L159 HydrophobicContact CB-CG 4.13Å; L140-L159 HydrophobicContact CD1-CD2 3.89Å; L140-L159 HydrophobicContact CG-CD2 4.44Å |
| 141 | F | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.5 | 173.9 | -85.3 | 0 | 0 | 0 | 111.8 | W133 D137 V139 A144 F145 F152 I155 L159 L167 Y170 W174 | W133-F141 HydrophobicContact CH2-CB 4.12Å; W133-F141 AromaticContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CG 4.18Å; W133-F141 HydrophobicContact CZ3-CB 3.65Å; W133-F141 HydrophobicContact CZ3-CD2 4.25Å; W133-F141 HydrophobicContact CZ3-CG 4.11Å; D137-F141 WeakPolarHBondContact O-CB 3.42Å; D137-F141 PolarHBondContact O-N 3.21Å; V139-F141 PolarHBondContact O-N 2.84Å; F141-A144 PolarHBondContact O-N 3Å; F141-F145 HydrophobicContact CE1-CB 4.23Å; F141-F145 HydrophobicContact CE1-CD2 4.41Å; F141-F145 HydrophobicContact CE1-CG 4.45Å; F141-F145 HydrophobicContact CZ-CB 4.46Å; F141-F145 HydrophobicContact CZ-CD2 4.07Å; F141-F145 WeakPolarHBondContact O-CB 3.29Å; F141-F145 PolarHBondContact O-N 3.47Å; F141-F152 HydrophobicContact CE2-CE1 4.33Å; F141-I155 HydrophobicContact CD2-CG2 3.86Å; F141-I155 HydrophobicContact CE2-CD1 4.14Å; F141-I155 HydrophobicContact CE2-CG2 4.29Å; F141-L159 HydrophobicContact CB-CD1 3.78Å; F141-L167 HydrophobicContact CD2-CD2 4.29Å; F141-Y170 HydrophobicContact CB-CE1 4.44Å; F141-Y170 AromaticContact CD1-CD1 3.66Å; F141-Y170 HydrophobicContact CD1-CD1 3.66Å; F141-Y170 AromaticContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD2-CD1 4.15Å; F141-Y170 AromaticContact CE1-CD1 3.86Å; F141-Y170 HydrophobicContact CE1-CD1 3.86Å; F141-Y170 AromaticContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE2-CD1 4.31Å; F141-Y170 AromaticContact CG-CD1 3.84Å; F141-Y170 HydrophobicContact CG-CD1 3.84Å; F141-Y170 AromaticContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CZ-CD1 4.19Å; F141-W174 HydrophobicContact CE1-CD2 4.21Å; F141-W174 HydrophobicContact CE1-CE3 4.21Å; F141-W174 HydrophobicContact CE1-CZ3 4.49Å |
| 142 | E | 92.3 | Very high | 88 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 178.6 | 179.6 | 157 | 156.1 | 0 | 0 | 112 | K138 V139 F145 S146 W174 R178 | K138-E142 WeakPolarHBondContact O-CB 3.21Å; K138-E142 PolarHBondContact O-N 2.83Å; V139-E142 PolarHBondContact O-N 3.28Å; E142-F145 PolarHBondContact O-N 3Å; E142-S146 PolarHBondContact O-N 2.66Å; E142-W174 HydrophobicContact CB-CZ2 4.47Å; E142-W174 HydrophobicContact CG-CZ2 4.12Å; E142-W174 PolarHBondContact OE2-NE1 3.38Å; E142-R178 IonicContact OE1-CZ 3.64Å; E142-R178 VanDerWaalsContact OE1-CZ 3.28Å; E142-R178 IonicContact OE1-NH1 2.73Å; E142-R178 PolarHBondContact OE1-NH1 3.25Å; E142-R178 VanDerWaalsContact OE1-NH1 3.11Å; E142-R178 IonicContact OE1-NH2 3.73Å; E142-R178 PolarHBondContact OE1-NH2 3.05Å; E142-R178 IonicContact OE2-CZ 3.12Å; E142-R178 IonicContact OE2-NH1 2.71Å; E142-R178 PolarHBondContact OE2-NH1 2.94Å; E142-R178 IonicContact OE2-NH2 3.39Å |
| 143 | Q | 91.4 | Very high | 89.3 | Confident | 99 Ų | 99 | 71.3 Ų | 71.3 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 176.5 | -166.1 | 65.4 | 53.9 | 0 | 0 | 111.4 | V139 F145 S146 F147 | V139-Q143 WeakPolarHBondContact O-CB 3.39Å; V139-Q143 PolarHBondContact O-N 3.32Å; Q143-F145 PolarHBondContact O-N 3.05Å; Q143-S146 PolarHBondContact NE2-OG 2.96Å; Q143-S146 WeakPolarHBondContact O-CB 3.23Å; Q143-S146 PolarHBondContact O-N 2.89Å; Q143-S146 PolarHBondContact O-OG 2.96Å; Q143-F147 HydrophobicContact CG-CD2 4.28Å; Q143-F147 HydrophobicContact CG-CE2 3.84Å; Q143-F147 VanDerWaalsContact NE2-CZ 3.35Å; Q143-F147 WeakPolarHBondContact O-CD2 3.23Å; Q143-F147 PolarHBondContact O-N 2.86Å |
| 144 | A | 91.6 | Very high | 90 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.033 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L140 F141 S146 F147 H148 I155 M158 | L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.27Å; F141-A144 PolarHBondContact O-N 3Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 3.49Å; A144-F147 PolarHBondContact O-N 3.48Å; A144-H148 VanDerWaalsContact O-CB 3.26Å; A144-H148 WeakPolarHBondContact O-CB 3.43Å; A144-H148 PolarHBondContact O-N 2.79Å; A144-I155 HydrophobicContact CB-CB 4.33Å; A144-I155 HydrophobicContact CB-CG1 4.04Å; A144-I155 HydrophobicContact CB-CG2 4.07Å; A144-M158 HydrophobicContact CB-CB 4.11Å; A144-M158 HydrophobicContact CB-CG 4.06Å |
| 145 | F | 93.1 | Very high | 90.5 | Very high | 44 Ų | 44 | 72.6 Ų | 72.6 | 19% | 0.193 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.5 | -32.9 | 174.2 | -173 | -86.6 | 0 | 0 | 0 | 111.8 | F141 E142 Q143 G149 K150 I155 Y171 W174 | F141-F145 HydrophobicContact CE1-CB 4.23Å; F141-F145 HydrophobicContact CE1-CD2 4.41Å; F141-F145 HydrophobicContact CE1-CG 4.45Å; F141-F145 HydrophobicContact CZ-CB 4.46Å; F141-F145 HydrophobicContact CZ-CD2 4.07Å; F141-F145 WeakPolarHBondContact O-CB 3.29Å; F141-F145 PolarHBondContact O-N 3.47Å; E142-F145 PolarHBondContact O-N 3Å; Q143-F145 PolarHBondContact O-N 3.05Å; F145-G149 WeakPolarHBondContact CD2-O 3.41Å; F145-G149 WeakPolarHBondContact CE2-O 3.24Å; F145-G149 VanDerWaalsContact O-CA 3.24Å; F145-G149 WeakPolarHBondContact O-CA 3.25Å; F145-G149 PolarHBondContact O-N 3.33Å; F145-K150 HydrophobicContact CE2-CG 4.23Å; F145-K150 HydrophobicContact CZ-CG 4.45Å; F145-I155 HydrophobicContact CB-CD1 4.04Å; F145-I155 HydrophobicContact CD2-CD1 3.92Å; F145-I155 HydrophobicContact CG-CD1 4.47Å; F145-Y171 HydrophobicContact CD2-CD2 4.41Å; F145-Y171 AromaticContact CE2-CD2 3.68Å; F145-Y171 HydrophobicContact CE2-CD2 3.68Å; F145-Y171 AromaticContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CZ-CD2 4.16Å; F145-Y171 AromaticContact CZ-CE2 3.78Å; F145-Y171 HydrophobicContact CZ-CE2 3.78Å; F145-W174 AromaticContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CZ3 4.1Å; F145-W174 HydrophobicContact CE1-CH2 4.11Å; F145-W174 HydrophobicContact CE1-CZ3 4.06Å; F145-W174 HydrophobicContact CG-CH2 4.43Å; F145-W174 HydrophobicContact CZ-CZ3 4.48Å |
| 146 | S | 88.7 | Confident | 91.2 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 175.3 | 81.4 | 0 | 0 | 0 | 0 | 112.8 | E142 Q143 A144 | E142-S146 PolarHBondContact O-N 2.66Å; Q143-S146 PolarHBondContact NE2-OG 2.96Å; Q143-S146 WeakPolarHBondContact O-CB 3.23Å; Q143-S146 PolarHBondContact O-N 2.89Å; Q143-S146 PolarHBondContact O-OG 2.96Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 3.49Å |
| 147 | F | 87.4 | Confident | 91.7 | Very high | 145 Ų | 145 | 69.4 Ų | 69.4 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -86.9 | -28.1 | 179.4 | -65.9 | -53.8 | 0 | 0 | 0 | 114.3 | Q143 A144 | Q143-F147 HydrophobicContact CG-CD2 4.28Å; Q143-F147 HydrophobicContact CG-CE2 3.84Å; Q143-F147 VanDerWaalsContact NE2-CZ 3.35Å; Q143-F147 WeakPolarHBondContact O-CD2 3.23Å; Q143-F147 PolarHBondContact O-N 2.86Å; A144-F147 PolarHBondContact O-N 3.48Å |
| 148 | H | 90 | Very high | 91.6 | Very high | 59 Ų | 59 | 73.5 Ų | 73.5 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -124.2 | 0 | -167.2 | -55.9 | -37.1 | 0 | 0 | 0 | 114 | A144 K150 S151 R154 | A144-H148 VanDerWaalsContact O-CB 3.26Å; A144-H148 WeakPolarHBondContact O-CB 3.43Å; A144-H148 PolarHBondContact O-N 2.79Å; H148-K150 PolarHBondContact O-N 2.9Å; H148-S151 WeakPolarHBondContact O-CB 3.48Å; H148-S151 PolarHBondContact O-N 3.44Å; H148-S151 VanDerWaalsContact O-N 3.12Å; H148-R154 HydrophobicContact CB-CB 4.3Å; H148-R154 HydrophobicContact CB-CG 3.8Å; H148-R154 WeakPolarHBondContact CD2-CG 3.41Å; H148-R154 VanDerWaalsContact CG-CG 3.41Å; H148-R154 PolarHBondContact NE2-NE 3.44Å; H148-R154 VanDerWaalsContact NE2-NE 3.18Å |
| 149 | G | 89.1 | Confident | 91.7 | Very high | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -135.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F145 S151 I155 | F145-G149 WeakPolarHBondContact CD2-O 3.41Å; F145-G149 WeakPolarHBondContact CE2-O 3.24Å; F145-G149 VanDerWaalsContact O-CA 3.24Å; F145-G149 WeakPolarHBondContact O-CA 3.25Å; F145-G149 PolarHBondContact O-N 3.33Å; G149-S151 PolarHBondContact O-N 2.88Å; G149-S151 VanDerWaalsContact O-N 3.16Å; G149-I155 WeakPolarHBondContact O-CD1 3.41Å |
| 150 | K | 91 | Very high | 91.5 | Very high | 147 Ų | 147 | 69.9 Ų | 69.9 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 13.2 | 179.9 | -57.9 | 176.7 | -171.3 | 167.3 | 0 | 114.1 | F145 H148 F152 | F145-K150 HydrophobicContact CE2-CG 4.23Å; F145-K150 HydrophobicContact CZ-CG 4.45Å; H148-K150 PolarHBondContact O-N 2.9Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CE2 4.34Å; K150-F152 WeakPolarHBondContact O-CD2 3.14Å; K150-F152 PolarHBondContact O-N 3.05Å |
| 151 | S | 93.2 | Very high | 91.2 | Very high | 59 Ų | 59 | 73.5 Ų | 73.5 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | trans | -78 | 76.6 | 178.5 | -167.9 | 0 | 0 | 0 | 0 | 110.8 | H148 G149 H153 R154 I155 | H148-S151 WeakPolarHBondContact O-CB 3.48Å; H148-S151 PolarHBondContact O-N 3.44Å; H148-S151 VanDerWaalsContact O-N 3.12Å; G149-S151 PolarHBondContact O-N 2.88Å; G149-S151 VanDerWaalsContact O-N 3.16Å; S151-H153 VanDerWaalsContact C-N 3.27Å; S151-H153 PolarHBondContact O-N 3.24Å; S151-R154 CarbonylContact O-C 3.35Å; S151-R154 WeakPolarHBondContact O-CA 3.35Å; S151-R154 WeakPolarHBondContact O-CB 3.05Å; S151-R154 PolarHBondContact O-N 3.47Å; S151-R154 WeakPolarHBondContact OG-CB 3.21Å; S151-I155 PolarHBondContact O-N 2.84Å | ||
| 152 | F | 94.8 | Very high | 90.9 | Very high | 30 Ų | 30 | 75.2 Ų | 75.2 | 13% | 0.132 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -35.8 | -175.5 | -66.7 | -73.3 | 0 | 0 | 0 | 113.4 | F141 K150 R154 I155 Q156 I164 L167 V168 Y171 | F141-F152 HydrophobicContact CE2-CE1 4.33Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CE2 4.34Å; K150-F152 WeakPolarHBondContact O-CD2 3.14Å; K150-F152 PolarHBondContact O-N 3.05Å; F152-R154 PolarHBondContact O-N 2.86Å; F152-I155 HydrophobicContact CD1-CD1 4.35Å; F152-I155 PolarHBondContact O-N 3.07Å; F152-Q156 WeakPolarHBondContact O-CB 3.43Å; F152-Q156 PolarHBondContact O-N 3.31Å; F152-I164 HydrophobicContact CB-CG2 4.12Å; F152-L167 HydrophobicContact CD1-CB 3.83Å; F152-L167 HydrophobicContact CE1-CB 4.47Å; F152-L167 WeakPolarHBondContact O-CD1 3.46Å; F152-V168 HydrophobicContact CD1-CG2 3.97Å; F152-V168 HydrophobicContact CD2-CG2 3.75Å; F152-V168 HydrophobicContact CE1-CG2 4.05Å; F152-V168 HydrophobicContact CE2-CG2 3.84Å; F152-V168 HydrophobicContact CG-CG2 3.82Å; F152-V168 HydrophobicContact CZ-CG2 3.99Å; F152-Y171 HydrophobicContact CE1-CG 4.15Å; F152-Y171 AromaticContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD2 4.29Å; F152-Y171 AromaticContact CZ-CG 3.73Å; F152-Y171 HydrophobicContact CZ-CG 3.73Å |
| 153 | H | 94.8 | Very high | 90.9 | Very high | 133 Ų | 133 | 75 Ų | 75 | 62% | 0.616 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.2 | -31.3 | 172.1 | -64.5 | 101.2 | 0 | 0 | 0 | 113.1 | S151 I164 | S151-H153 VanDerWaalsContact C-N 3.27Å; S151-H153 PolarHBondContact O-N 3.24Å; H153-I164 VanDerWaalsContact CD2-CD1 3.46Å; H153-I164 WeakPolarHBondContact CD2-CD1 3.2Å; H153-I164 WeakPolarHBondContact NE2-CD1 3.34Å |
| 154 | R | 93.2 | Very high | 91 | Very high | 118 Ų | 118 | 73 Ų | 73 | 45% | 0.445 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -85.7 | -33.8 | 177.2 | 179.7 | 58 | 173.8 | -148.5 | -7 | 111.9 | H148 S151 F152 Q156 Q157 | H148-R154 HydrophobicContact CB-CB 4.3Å; H148-R154 HydrophobicContact CB-CG 3.8Å; H148-R154 WeakPolarHBondContact CD2-CG 3.41Å; H148-R154 VanDerWaalsContact CG-CG 3.41Å; H148-R154 PolarHBondContact NE2-NE 3.44Å; H148-R154 VanDerWaalsContact NE2-NE 3.18Å; S151-R154 CarbonylContact O-C 3.35Å; S151-R154 WeakPolarHBondContact O-CA 3.35Å; S151-R154 WeakPolarHBondContact O-CB 3.05Å; S151-R154 PolarHBondContact O-N 3.47Å; S151-R154 WeakPolarHBondContact OG-CB 3.21Å; F152-R154 PolarHBondContact O-N 2.86Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q157 WeakPolarHBondContact O-CB 3.13Å; R154-Q157 PolarHBondContact O-N 2.6Å |
| 155 | I | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 168.8 | -66.1 | 173.5 | 0 | 0 | 0 | 110.5 | F141 A144 F145 G149 S151 F152 Q157 M158 L159 L167 | F141-I155 HydrophobicContact CD2-CG2 3.86Å; F141-I155 HydrophobicContact CE2-CD1 4.14Å; F141-I155 HydrophobicContact CE2-CG2 4.29Å; A144-I155 HydrophobicContact CB-CB 4.33Å; A144-I155 HydrophobicContact CB-CG1 4.04Å; A144-I155 HydrophobicContact CB-CG2 4.07Å; F145-I155 HydrophobicContact CB-CD1 4.04Å; F145-I155 HydrophobicContact CD2-CD1 3.92Å; F145-I155 HydrophobicContact CG-CD1 4.47Å; G149-I155 WeakPolarHBondContact O-CD1 3.41Å; S151-I155 PolarHBondContact O-N 2.84Å; F152-I155 HydrophobicContact CD1-CD1 4.35Å; F152-I155 PolarHBondContact O-N 3.07Å; I155-Q157 PolarHBondContact O-N 3.47Å; I155-M158 WeakPolarHBondContact O-CA 3.42Å; I155-M158 WeakPolarHBondContact O-CB 3.16Å; I155-M158 PolarHBondContact O-N 3.27Å; I155-L159 HydrophobicContact CG2-CD1 4.34Å; I155-L159 PolarHBondContact O-N 3.32Å; I155-L159 VanDerWaalsContact O-N 3.16Å; I155-L167 HydrophobicContact CB-CD1 4.31Å; I155-L167 HydrophobicContact CG2-CD1 4.05Å; I155-L167 HydrophobicContact CG2-CD2 4.13Å |
| 156 | Q | 94.7 | Very high | 90.8 | Very high | 57 Ų | 57 | 76.7 Ų | 76.7 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.8 | 176.9 | -164.1 | 178.9 | 12.7 | 0 | 0 | 113.2 | F152 R154 M158 L159 P160 L167 | F152-Q156 WeakPolarHBondContact O-CB 3.43Å; F152-Q156 PolarHBondContact O-N 3.31Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; Q156-M158 PolarHBondContact O-N 3.12Å; Q156-L159 CarbonylContact O-C 3.5Å; Q156-L159 PolarHBondContact O-N 3.16Å; Q156-L159 VanDerWaalsContact O-N 3.17Å; Q156-P160 WeakPolarHBondContact O-CA 3.45Å; Q156-P160 VanDerWaalsContact O-N 3.11Å; Q156-L167 HydrophobicContact CB-CD1 3.8Å; Q156-L167 HydrophobicContact CG-CD1 4.37Å |
| 157 | Q | 93.3 | Very high | 91 | Very high | 130 Ų | 130 | 73 Ų | 73 | 61% | 0.607 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.3 | 173.4 | -64.7 | 174.7 | -3.7 | 0 | 0 | 112.5 | R154 I155 | R154-Q157 WeakPolarHBondContact O-CB 3.13Å; R154-Q157 PolarHBondContact O-N 2.6Å; I155-Q157 PolarHBondContact O-N 3.47Å |
| 158 | M | 87.8 | Confident | 91.3 | Very high | 102 Ų | 102 | 68.2 Ų | 68.2 | 50% | 0.502 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -12.5 | 172.3 | -59.8 | -60.6 | -60.5 | 0 | 0 | 113.1 | A144 I155 Q156 | A144-M158 HydrophobicContact CB-CB 4.11Å; A144-M158 HydrophobicContact CB-CG 4.06Å; I155-M158 WeakPolarHBondContact O-CA 3.42Å; I155-M158 WeakPolarHBondContact O-CB 3.16Å; I155-M158 PolarHBondContact O-N 3.27Å; Q156-M158 PolarHBondContact O-N 3.12Å |
| 159 | L | 90.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | trans | -139.6 | 66.5 | -177.4 | -74.3 | 175.1 | 0 | 0 | 0 | 109.9 | W133 L140 F141 I155 Q156 D161 K162 L167 | W133-L159 HydrophobicContact CH2-CD1 4.12Å; W133-L159 HydrophobicContact CZ3-CD1 4.04Å; L140-L159 HydrophobicContact CB-CD1 4.39Å; L140-L159 HydrophobicContact CB-CD2 3.74Å; L140-L159 HydrophobicContact CB-CG 4.13Å; L140-L159 HydrophobicContact CD1-CD2 3.89Å; L140-L159 HydrophobicContact CG-CD2 4.44Å; F141-L159 HydrophobicContact CB-CD1 3.78Å; I155-L159 HydrophobicContact CG2-CD1 4.34Å; I155-L159 PolarHBondContact O-N 3.32Å; I155-L159 VanDerWaalsContact O-N 3.16Å; Q156-L159 CarbonylContact O-C 3.5Å; Q156-L159 PolarHBondContact O-N 3.16Å; Q156-L159 VanDerWaalsContact O-N 3.17Å; L159-D161 VanDerWaalsContact C-N 3.26Å; L159-D161 PolarHBondContact O-N 2.69Å; L159-K162 HydrophobicContact CB-CB 4.18Å; L159-K162 HydrophobicContact CB-CG 4.3Å; L159-K162 PolarHBondContact O-N 3.26Å; L159-K162 VanDerWaalsContact O-N 3.1Å; L159-L167 HydrophobicContact CB-CD2 4.32Å; L159-L167 HydrophobicContact CD1-CD2 4.01Å | ||
| 160 | P | 86.8 | Confident | 91.4 | Very high | 89 Ų | 89 | 73.5 Ų | 73.5 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.6 | -172.7 | 24.5 | -34.3 | 0 | 0 | 0 | 112.5 | Q156 K162 | Q156-P160 WeakPolarHBondContact O-CA 3.45Å; Q156-P160 VanDerWaalsContact O-N 3.11Å; P160-K162 PolarHBondContact O-N 2.92Å |
| 161 | D | 84.6 | Confident | 91.4 | Very high | 145 Ų | 145 | 67.1 Ų | 67.1 | 78% | 0.775 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -6.2 | -179 | -50.7 | -50.7 | 0 | 0 | 0 | 113.5 | L159 | L159-D161 VanDerWaalsContact C-N 3.26Å; L159-D161 PolarHBondContact O-N 2.69Å |
| 162 | K | 88.4 | Confident | 91.2 | Very high | 36 Ų | 36 | 71.4 Ų | 71.4 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -107 | 108 | 177.6 | -59.4 | -55.6 | -173.1 | -65.3 | 0 | 110 | W133 D137 L159 P160 L167 | W133-K162 HydrophobicContact CH2-CG 4.41Å; W133-K162 HydrophobicContact CZ2-CB 4.39Å; W133-K162 HydrophobicContact CZ2-CG 4.32Å; D137-K162 VanDerWaalsContact CG-CE 3.45Å; D137-K162 WeakPolarHBondContact OD1-CE 3.43Å; D137-K162 IonicContact OD1-NZ 3.77Å; D137-K162 PolarHBondContact OD1-NZ 3.5Å; D137-K162 WeakPolarHBondContact OD2-CE 3.35Å; D137-K162 IonicContact OD2-NZ 3.96Å; D137-K162 PolarHBondContact OD2-NZ 2.9Å; L159-K162 HydrophobicContact CB-CB 4.18Å; L159-K162 HydrophobicContact CB-CG 4.3Å; L159-K162 PolarHBondContact O-N 3.26Å; L159-K162 VanDerWaalsContact O-N 3.1Å; P160-K162 PolarHBondContact O-N 2.92Å; K162-L167 HydrophobicContact CB-CD2 3.61Å; K162-L167 HydrophobicContact CB-CG 4.31Å |
| 163 | S | 92.4 | Very high | 90.5 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 47% | 0.469 | 37% | 0.373 | S | S | . | . | trans | -58.1 | 150.6 | 176.9 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | S165 S166 L167 | S163-S165 PolarHBondContact O-N 3.1Å; S163-S165 VanDerWaalsContact O-N 3.13Å; S163-S166 WeakPolarHBondContact O-CA 3.43Å; S163-S166 WeakPolarHBondContact O-CB 3.46Å; S163-S166 PolarHBondContact O-N 3.28Å; S163-S166 PolarHBondContact OG-N 3.28Å; S163-L167 PolarHBondContact O-N 3.44Å | ||
| 164 | I | 92.2 | Very high | 90 | Very high | 57 Ų | 57 | 68.3 Ų | 68.3 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -50.9 | -41.5 | 179.1 | -58.8 | 170.7 | 0 | 0 | 0 | 111.2 | F152 H153 S166 L167 V168 | F152-I164 HydrophobicContact CB-CG2 4.12Å; H153-I164 VanDerWaalsContact CD2-CD1 3.46Å; H153-I164 WeakPolarHBondContact CD2-CD1 3.2Å; H153-I164 WeakPolarHBondContact NE2-CD1 3.34Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.87Å; I164-L167 PolarHBondContact O-N 3.06Å; I164-V168 HydrophobicContact CG2-CG2 4.28Å; I164-V168 WeakPolarHBondContact O-CB 3.22Å; I164-V168 VanDerWaalsContact O-CG2 3.28Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 3.18Å |
| 165 | S | 90.3 | Very high | 89.4 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.1 | -38.9 | 175.6 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | S163 K169 | S163-S165 PolarHBondContact O-N 3.1Å; S163-S165 VanDerWaalsContact O-N 3.13Å; S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.41Å; S165-K169 PolarHBondContact O-N 3.13Å |
| 166 | S | 91.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.6 | -44.1 | 174.2 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | W133 S163 I164 V168 K169 Y170 | W133-S166 PolarHBondContact NE1-OG 2.61Å; S163-S166 WeakPolarHBondContact O-CA 3.43Å; S163-S166 WeakPolarHBondContact O-CB 3.46Å; S163-S166 PolarHBondContact O-N 3.28Å; S163-S166 PolarHBondContact OG-N 3.28Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.87Å; S166-V168 VanDerWaalsContact C-N 3.31Å; S166-V168 PolarHBondContact O-N 2.97Å; S166-K169 PolarHBondContact O-N 2.75Å; S166-Y170 WeakPolarHBondContact O-CB 3.43Å; S166-Y170 PolarHBondContact O-N 2.78Å |
| 167 | L | 93.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58 | -41.9 | 175 | -57.4 | 179.6 | 0 | 0 | 0 | 112 | W133 F141 F152 I155 Q156 L159 K162 S163 I164 Y171 | W133-L167 HydrophobicContact CH2-CD2 3.61Å; W133-L167 HydrophobicContact CZ2-CD2 3.98Å; F141-L167 HydrophobicContact CD2-CD2 4.29Å; F152-L167 HydrophobicContact CD1-CB 3.83Å; F152-L167 HydrophobicContact CE1-CB 4.47Å; F152-L167 WeakPolarHBondContact O-CD1 3.46Å; I155-L167 HydrophobicContact CB-CD1 4.31Å; I155-L167 HydrophobicContact CG2-CD1 4.05Å; I155-L167 HydrophobicContact CG2-CD2 4.13Å; Q156-L167 HydrophobicContact CB-CD1 3.8Å; Q156-L167 HydrophobicContact CG-CD1 4.37Å; L159-L167 HydrophobicContact CB-CD2 4.32Å; L159-L167 HydrophobicContact CD1-CD2 4.01Å; K162-L167 HydrophobicContact CB-CD2 3.61Å; K162-L167 HydrophobicContact CB-CG 4.31Å; S163-L167 PolarHBondContact O-N 3.44Å; I164-L167 PolarHBondContact O-N 3.06Å; L167-Y171 WeakPolarHBondContact O-CB 3.15Å; L167-Y171 PolarHBondContact O-N 3.41Å |
| 168 | V | 93.9 | Very high | 85 | Confident | 45 Ų | 45 | 77 Ų | 77 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.3 | -42.7 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | F152 I164 S166 Y170 Y171 Y172 | F152-V168 HydrophobicContact CD1-CG2 3.97Å; F152-V168 HydrophobicContact CD2-CG2 3.75Å; F152-V168 HydrophobicContact CE1-CG2 4.05Å; F152-V168 HydrophobicContact CE2-CG2 3.84Å; F152-V168 HydrophobicContact CG-CG2 3.82Å; F152-V168 HydrophobicContact CZ-CG2 3.99Å; I164-V168 HydrophobicContact CG2-CG2 4.28Å; I164-V168 WeakPolarHBondContact O-CB 3.22Å; I164-V168 VanDerWaalsContact O-CG2 3.28Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 3.18Å; S166-V168 VanDerWaalsContact C-N 3.31Å; S166-V168 PolarHBondContact O-N 2.97Å; V168-Y170 VanDerWaalsContact C-N 3.33Å; V168-Y170 PolarHBondContact O-N 3.11Å; V168-Y171 PolarHBondContact O-N 2.87Å; V168-Y172 HydrophobicContact CG1-CD2 3.99Å; V168-Y172 HydrophobicContact CG1-CE2 3.83Å; V168-Y172 VanDerWaalsContact O-CD2 3.27Å; V168-Y172 WeakPolarHBondContact O-CD2 3.27Å; V168-Y172 PolarHBondContact O-N 3.19Å |
| 169 | K | 89.3 | Confident | 83.3 | Confident | 163 Ų | 163 | 76.3 Ų | 76.3 | 71% | 0.709 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 174.7 | -174.1 | -178.7 | 179.7 | -172.5 | 0 | 111 | S165 S166 Y172 S173 | S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.41Å; S165-K169 PolarHBondContact O-N 3.13Å; S166-K169 PolarHBondContact O-N 2.75Å; K169-Y172 PolarHBondContact O-N 3.21Å; K169-S173 PolarHBondContact O-N 3.47Å |
| 170 | Y | 90.1 | Very high | 81.2 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 14% | 0.137 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 176.5 | -175.4 | -97 | 0 | 0 | 0 | 112.6 | W133 K138 F141 S166 V168 Y172 S173 W174 | W133-Y170 HydrophobicContact CD2-CD1 4.46Å; W133-Y170 AromaticContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CE2 4.24Å; W133-Y170 AromaticContact CD2-CG 3.81Å; W133-Y170 HydrophobicContact CD2-CG 3.81Å; W133-Y170 AromaticContact CE2-CD2 3.93Å; W133-Y170 AromaticContact CE2-CG 3.73Å; W133-Y170 HydrophobicContact CE3-CD1 4.13Å; W133-Y170 AromaticContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CE1 4.38Å; W133-Y170 HydrophobicContact CE3-CE2 4.23Å; W133-Y170 AromaticContact CE3-CG 3.94Å; W133-Y170 HydrophobicContact CE3-CG 3.94Å; W133-Y170 AromaticContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CE2 4.42Å; W133-Y170 AromaticContact CH2-CD1 3.93Å; W133-Y170 HydrophobicContact CH2-CD1 3.93Å; W133-Y170 AromaticContact CH2-CG 3.92Å; W133-Y170 HydrophobicContact CH2-CG 3.92Å; W133-Y170 VanDerWaalsContact CZ2-CB 3.42Å; W133-Y170 HydrophobicContact CZ2-CD1 4.27Å; W133-Y170 HydrophobicContact CZ2-CD2 4.45Å; W133-Y170 AromaticContact CZ2-CG 3.79Å; W133-Y170 HydrophobicContact CZ2-CG 3.79Å; W133-Y170 AromaticContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD2 4.49Å; W133-Y170 HydrophobicContact CZ3-CE1 4.29Å; W133-Y170 HydrophobicContact CZ3-CG 4.01Å; K138-Y170 HydrophobicContact CG-CE2 3.98Å; K138-Y170 WeakPolarHBondContact CG-OH 3.32Å; F141-Y170 HydrophobicContact CB-CE1 4.44Å; F141-Y170 AromaticContact CD1-CD1 3.66Å; F141-Y170 HydrophobicContact CD1-CD1 3.66Å; F141-Y170 AromaticContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD2-CD1 4.15Å; F141-Y170 AromaticContact CE1-CD1 3.86Å; F141-Y170 HydrophobicContact CE1-CD1 3.86Å; F141-Y170 AromaticContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE2-CD1 4.31Å; F141-Y170 AromaticContact CG-CD1 3.84Å; F141-Y170 HydrophobicContact CG-CD1 3.84Å; F141-Y170 AromaticContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CZ-CD1 4.19Å; S166-Y170 WeakPolarHBondContact O-CB 3.43Å; S166-Y170 PolarHBondContact O-N 2.78Å; V168-Y170 VanDerWaalsContact C-N 3.33Å; V168-Y170 PolarHBondContact O-N 3.11Å; Y170-Y172 VanDerWaalsContact C-N 3.27Å; Y170-Y172 PolarHBondContact O-N 3.06Å; Y170-S173 PolarHBondContact O-N 3.34Å; Y170-S173 PolarHBondContact O-OG 2.65Å; Y170-W174 HydrophobicContact CD1-CB 4.21Å; Y170-W174 HydrophobicContact CE1-CB 3.74Å; Y170-W174 AromaticContact CE1-CD1 3.84Å; Y170-W174 AromaticContact CE1-CG 3.91Å; Y170-W174 HydrophobicContact CE1-CG 3.91Å; Y170-W174 AromaticContact CZ-CD1 3.91Å; Y170-W174 VanDerWaalsContact O-CB 3.26Å; Y170-W174 WeakPolarHBondContact O-CB 3.09Å; Y170-W174 PolarHBondContact O-N 2.65Å |
| 171 | Y | 91.8 | Very high | 79.7 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 5% | 0.051 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -53.1 | -43.2 | 174.6 | 162.7 | -103.8 | 0 | 0 | 0 | 112.5 | F145 F152 L167 V168 K175 | F145-Y171 HydrophobicContact CD2-CD2 4.41Å; F145-Y171 AromaticContact CE2-CD2 3.68Å; F145-Y171 HydrophobicContact CE2-CD2 3.68Å; F145-Y171 AromaticContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CZ-CD2 4.16Å; F145-Y171 AromaticContact CZ-CE2 3.78Å; F145-Y171 HydrophobicContact CZ-CE2 3.78Å; F152-Y171 HydrophobicContact CE1-CG 4.15Å; F152-Y171 AromaticContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD2 4.29Å; F152-Y171 AromaticContact CZ-CG 3.73Å; F152-Y171 HydrophobicContact CZ-CG 3.73Å; L167-Y171 WeakPolarHBondContact O-CB 3.15Å; L167-Y171 PolarHBondContact O-N 3.41Å; V168-Y171 PolarHBondContact O-N 2.87Å; Y171-K175 HydrophobicContact CE2-CB 4.45Å; Y171-K175 HydrophobicContact CE2-CD 4.25Å; Y171-K175 WeakPolarHBondContact O-CB 3.28Å; Y171-K175 PolarHBondContact O-N 3.34Å |
| 172 | Y | 88.6 | Confident | 78.1 | Confident | 149 Ų | 149 | 82.3 Ų | 82.3 | 58% | 0.584 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.9 | -31.5 | -179.1 | -78.8 | -66.7 | 0 | 0 | 0 | 113.7 | V168 K169 Y170 K176 | V168-Y172 HydrophobicContact CG1-CD2 3.99Å; V168-Y172 HydrophobicContact CG1-CE2 3.83Å; V168-Y172 VanDerWaalsContact O-CD2 3.27Å; V168-Y172 WeakPolarHBondContact O-CD2 3.27Å; V168-Y172 PolarHBondContact O-N 3.19Å; K169-Y172 PolarHBondContact O-N 3.21Å; Y170-Y172 VanDerWaalsContact C-N 3.27Å; Y170-Y172 PolarHBondContact O-N 3.06Å; Y172-K176 WeakPolarHBondContact O-CB 3.34Å; Y172-K176 PolarHBondContact O-N 3.43Å |
| 173 | S | 80.6 | Confident | 76.4 | Confident | 66 Ų | 66 | 87 Ų | 87 | 46% | 0.462 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -74.4 | -46.9 | 172.6 | 59.5 | 0 | 0 | 0 | 0 | 112 | K169 Y170 K176 T177 | K169-S173 PolarHBondContact O-N 3.47Å; Y170-S173 PolarHBondContact O-N 3.34Å; Y170-S173 PolarHBondContact O-OG 2.65Å; S173-K176 PolarHBondContact O-N 2.87Å; S173-T177 PolarHBondContact O-N 2.68Å |
| 174 | W | 84.8 | Confident | 74.8 | Confident | 31 Ų | 31 | 90.6 Ų | 90.6 | 12% | 0.117 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 177 | 175.2 | 95.5 | 0 | 0 | 0 | 112.6 | F141 E142 F145 Y170 K176 T177 R178 | F141-W174 HydrophobicContact CE1-CD2 4.21Å; F141-W174 HydrophobicContact CE1-CE3 4.21Å; F141-W174 HydrophobicContact CE1-CZ3 4.49Å; E142-W174 HydrophobicContact CB-CZ2 4.47Å; E142-W174 HydrophobicContact CG-CZ2 4.12Å; E142-W174 PolarHBondContact OE2-NE1 3.38Å; F145-W174 AromaticContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CZ3 4.1Å; F145-W174 HydrophobicContact CE1-CH2 4.11Å; F145-W174 HydrophobicContact CE1-CZ3 4.06Å; F145-W174 HydrophobicContact CG-CH2 4.43Å; F145-W174 HydrophobicContact CZ-CZ3 4.48Å; Y170-W174 HydrophobicContact CD1-CB 4.21Å; Y170-W174 HydrophobicContact CE1-CB 3.74Å; Y170-W174 AromaticContact CE1-CD1 3.84Å; Y170-W174 AromaticContact CE1-CG 3.91Å; Y170-W174 HydrophobicContact CE1-CG 3.91Å; Y170-W174 AromaticContact CZ-CD1 3.91Å; Y170-W174 VanDerWaalsContact O-CB 3.26Å; Y170-W174 WeakPolarHBondContact O-CB 3.09Å; Y170-W174 PolarHBondContact O-N 2.65Å; W174-K176 VanDerWaalsContact C-N 3.32Å; W174-K176 PolarHBondContact O-N 3.11Å; W174-T177 PolarHBondContact O-N 3.22Å; W174-T177 PolarHBondContact O-OG1 3.08Å; W174-T177 VanDerWaalsContact O-OG1 3.04Å; W174-R178 VanDerWaalsContact CZ2-CD 3.45Å; W174-R178 VanDerWaalsContact O-CB 3.31Å; W174-R178 WeakPolarHBondContact O-CB 3.37Å; W174-R178 PolarHBondContact O-N 3.09Å |
| 175 | K | 80.3 | Confident | 73.5 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 45% | 0.452 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.8 | -178.3 | -175.4 | 172.2 | -165.9 | 0 | 111.8 | Y171 T177 R178 S179 | Y171-K175 HydrophobicContact CE2-CB 4.45Å; Y171-K175 HydrophobicContact CE2-CD 4.25Å; Y171-K175 WeakPolarHBondContact O-CB 3.28Å; Y171-K175 PolarHBondContact O-N 3.34Å; K175-T177 VanDerWaalsContact C-N 3.28Å; K175-T177 PolarHBondContact O-N 3.21Å; K175-R178 PolarHBondContact O-N 2.89Å; K175-S179 PolarHBondContact O-N 2.86Å; K175-S179 VanDerWaalsContact O-N 3.09Å |
| 176 | K | 68.3 | Low | 72.1 | Confident | 178 Ų | 178 | 96 Ų | 96 | 77% | 0.774 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.8 | -28.3 | -175.9 | -169 | 177.5 | -177.1 | -177.8 | 0 | 112.8 | Y172 S173 W174 | Y172-K176 WeakPolarHBondContact O-CB 3.34Å; Y172-K176 PolarHBondContact O-N 3.43Å; S173-K176 PolarHBondContact O-N 2.87Å; W174-K176 VanDerWaalsContact C-N 3.32Å; W174-K176 PolarHBondContact O-N 3.11Å |
| 177 | T | 58.7 | Low | 70.8 | Confident | 108 Ų | 108 | 100.7 Ų | 100.7 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -87.1 | -36.3 | 171.3 | 51 | 0 | 0 | 0 | 0 | 112.4 | S173 W174 K175 S179 | S173-T177 PolarHBondContact O-N 2.68Å; W174-T177 PolarHBondContact O-N 3.22Å; W174-T177 PolarHBondContact O-OG1 3.08Å; W174-T177 VanDerWaalsContact O-OG1 3.04Å; K175-T177 VanDerWaalsContact C-N 3.28Å; K175-T177 PolarHBondContact O-N 3.21Å; T177-S179 PolarHBondContact O-N 3.29Å |
| 178 | R | 61.3 | Low | 69.4 | Low | 98 Ų | 98 | 103.3 Ų | 103.3 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.9 | -18.3 | -174.2 | -156.4 | 177.2 | -167 | 109.2 | -4.2 | 115.5 | E142 W174 K175 R180 T181 | E142-R178 IonicContact OE1-CZ 3.64Å; E142-R178 VanDerWaalsContact OE1-CZ 3.28Å; E142-R178 IonicContact OE1-NH1 2.73Å; E142-R178 PolarHBondContact OE1-NH1 3.25Å; E142-R178 VanDerWaalsContact OE1-NH1 3.11Å; E142-R178 IonicContact OE1-NH2 3.73Å; E142-R178 PolarHBondContact OE1-NH2 3.05Å; E142-R178 IonicContact OE2-CZ 3.12Å; E142-R178 IonicContact OE2-NH1 2.71Å; E142-R178 PolarHBondContact OE2-NH1 2.94Å; E142-R178 IonicContact OE2-NH2 3.39Å; W174-R178 VanDerWaalsContact CZ2-CD 3.45Å; W174-R178 VanDerWaalsContact O-CB 3.31Å; W174-R178 WeakPolarHBondContact O-CB 3.37Å; W174-R178 PolarHBondContact O-N 3.09Å; K175-R178 PolarHBondContact O-N 2.89Å; R178-R180 PolarHBondContact O-N 3.37Å; R178-T181 PolarHBondContact O-N 2.93Å |
| 179 | S | 53.4 | Low | 68.3 | Low | 88 Ų | 88 | 108 Ų | 108 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 7.5 | 179.9 | 66.2 | 0 | 0 | 0 | 0 | 115.3 | K175 T177 | K175-S179 PolarHBondContact O-N 2.86Å; K175-S179 VanDerWaalsContact O-N 3.09Å; T177-S179 PolarHBondContact O-N 3.29Å |
| 180 | R | 46.6 | Very low | 67 | Low | 235 Ų | 235 | 108.3 Ų | 108.3 | 89% | 0.887 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 3.8 | 170.7 | -79.6 | -177.8 | 166 | 168.3 | -4.8 | 114.3 | R178 S182 | R178-R180 PolarHBondContact O-N 3.37Å; R180-S182 PolarHBondContact O-N 3.13Å |
| 181 | T | 53.3 | Low | 65.6 | Low | 71 Ų | 71 | 112.7 Ų | 112.7 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | trans | -56.1 | 129.3 | 173.4 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | R178 D185 R189 | R178-T181 PolarHBondContact O-N 2.93Å; T181-D185 VanDerWaalsContact CA-OD2 3.25Å; T181-D185 WeakPolarHBondContact CA-OD2 3.16Å; T181-D185 WeakPolarHBondContact CB-OD2 3.41Å; T181-D185 WeakPolarHBondContact OG1-CB 3.34Å; T181-D185 VanDerWaalsContact OG1-CG 3.25Å; T181-D185 PolarHBondContact OG1-OD2 3.17Å; T181-R189 PolarHBondContact OG1-NH2 2.86Å | ||
| 182 | S | 51.2 | Low | 64.3 | Low | 61 Ų | 61 | 114.7 Ų | 114.7 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | trans | -75.1 | 161.7 | -171 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | R180 M184 D185 R186 | R180-S182 PolarHBondContact O-N 3.13Å; S182-M184 PolarHBondContact O-N 2.83Å; S182-M184 PolarHBondContact OG-N 3.08Å; S182-D185 PolarHBondContact N-OD2 3.41Å; S182-D185 WeakPolarHBondContact O-CB 3.42Å; S182-D185 PolarHBondContact O-N 3.3Å; S182-R186 PolarHBondContact O-N 3.03Å | ||
| 183 | L | 52.8 | Low | 62.6 | Low | 134 Ų | 134 | 113.7 Ų | 113.7 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.2 | -29.1 | 167.2 | -68.4 | 176.6 | 0 | 0 | 0 | 111.7 | R186 Q187 | L183-R186 WeakPolarHBondContact O-CB 3.44Å; L183-R186 PolarHBondContact O-N 3.41Å; L183-R186 VanDerWaalsContact O-N 3.17Å; L183-Q187 PolarHBondContact O-N 3.3Å; L183-Q187 VanDerWaalsContact O-N 3.13Å |
| 184 | M | 59.2 | Low | 61.4 | Low | 142 Ų | 142 | 120.4 Ų | 120.4 | 70% | 0.7 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.5 | -41.6 | 172.1 | -71.1 | 173.9 | 158.3 | 0 | 0 | 112.6 | S182 R186 Q187 A188 | S182-M184 PolarHBondContact O-N 2.83Å; S182-M184 PolarHBondContact OG-N 3.08Å; M184-R186 PolarHBondContact O-N 3.47Å; M184-Q187 PolarHBondContact O-N 3.21Å; M184-Q187 VanDerWaalsContact O-N 3.11Å; M184-A188 WeakPolarHBondContact O-CB 3.25Å; M184-A188 PolarHBondContact O-N 3.39Å |
| 185 | D | 65.6 | Low | 59.8 | Low | 71 Ų | 71 | 123.3 Ų | 123.3 | 38% | 0.38 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.3 | -23.1 | 176.4 | -62.4 | -39.2 | 0 | 0 | 0 | 112.7 | T181 S182 R189 | T181-D185 VanDerWaalsContact CA-OD2 3.25Å; T181-D185 WeakPolarHBondContact CA-OD2 3.16Å; T181-D185 WeakPolarHBondContact CB-OD2 3.41Å; T181-D185 WeakPolarHBondContact OG1-CB 3.34Å; T181-D185 VanDerWaalsContact OG1-CG 3.25Å; T181-D185 PolarHBondContact OG1-OD2 3.17Å; S182-D185 PolarHBondContact N-OD2 3.41Å; S182-D185 WeakPolarHBondContact O-CB 3.42Å; S182-D185 PolarHBondContact O-N 3.3Å; D185-R189 PolarHBondContact O-N 2.8Å; D185-R189 PolarHBondContact O-NE 3.01Å |
| 186 | R | 60.6 | Low | 58 | Low | 193 Ų | 193 | 125.4 Ų | 125.4 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.9 | -33.5 | 177 | -162.6 | 178.6 | -176.9 | -169.8 | 0.1 | 111.4 | S182 L183 M184 K190 | S182-R186 PolarHBondContact O-N 3.03Å; L183-R186 WeakPolarHBondContact O-CB 3.44Å; L183-R186 PolarHBondContact O-N 3.41Å; L183-R186 VanDerWaalsContact O-N 3.17Å; M184-R186 PolarHBondContact O-N 3.47Å; R186-K190 PolarHBondContact O-N 3.04Å |
| 187 | Q | 63.9 | Low | 56.9 | Low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73 | -45 | 171.5 | -70.4 | 173.5 | -57.7 | 0 | 0 | 111.5 | L183 M184 R189 K190 L191 | L183-Q187 PolarHBondContact O-N 3.3Å; L183-Q187 VanDerWaalsContact O-N 3.13Å; M184-Q187 PolarHBondContact O-N 3.21Å; M184-Q187 VanDerWaalsContact O-N 3.11Å; Q187-R189 VanDerWaalsContact C-N 3.33Å; Q187-R189 PolarHBondContact O-N 2.62Å; Q187-K190 WeakPolarHBondContact O-CA 3.1Å; Q187-K190 WeakPolarHBondContact O-CB 3.26Å; Q187-K190 PolarHBondContact O-N 3.46Å; Q187-L191 PolarHBondContact O-N 2.66Å |
| 188 | A | 64.3 | Low | 55.8 | Low | 56 Ų | 56 | 127.1 Ų | 127.1 | 46% | 0.463 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -55.4 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M184 K190 L191 A192 | M184-A188 WeakPolarHBondContact O-CB 3.25Å; M184-A188 PolarHBondContact O-N 3.39Å; A188-K190 PolarHBondContact O-N 3.41Å; A188-L191 PolarHBondContact O-N 3.03Å; A188-A192 PolarHBondContact O-N 2.8Å |
| 189 | R | 69.6 | Low | 54.6 | Low | 143 Ų | 143 | 129.9 Ų | 129.9 | 54% | 0.54 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.5 | -30.3 | 174.9 | -80.5 | 179.2 | -82.8 | -169.2 | -9.1 | 113.9 | T181 D185 Q187 N193 | T181-R189 PolarHBondContact OG1-NH2 2.86Å; D185-R189 PolarHBondContact O-N 2.8Å; D185-R189 PolarHBondContact O-NE 3.01Å; Q187-R189 VanDerWaalsContact C-N 3.33Å; Q187-R189 PolarHBondContact O-N 2.62Å; R189-N193 WeakPolarHBondContact O-CB 3.31Å; R189-N193 PolarHBondContact O-N 3.46Å |
| 190 | K | 62.2 | Low | 53.8 | Low | 170 Ų | 170 | 131.2 Ų | 131.2 | 74% | 0.739 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69 | -33.4 | 173.5 | -168.8 | -176.6 | 178.2 | -170.8 | 0 | 112 | R186 Q187 A188 | R186-K190 PolarHBondContact O-N 3.04Å; Q187-K190 WeakPolarHBondContact O-CA 3.1Å; Q187-K190 WeakPolarHBondContact O-CB 3.26Å; Q187-K190 PolarHBondContact O-N 3.46Å; A188-K190 PolarHBondContact O-N 3.41Å |
| 191 | L | 61 | Low | 53 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 67% | 0.665 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -73.9 | -45.8 | 174.5 | -67.2 | 170.2 | 0 | 0 | 0 | 111.4 | Q187 A188 N193 R194 S195 | Q187-L191 PolarHBondContact O-N 2.66Å; A188-L191 PolarHBondContact O-N 3.03Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 2.86Å; L191-R194 WeakPolarHBondContact O-CA 3.15Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 2.99Å; L191-S195 PolarHBondContact O-N 3.48Å |
| 192 | A | 64.2 | Low | 51.9 | Low | 55 Ų | 55 | 135.2 Ų | 135.2 | 46% | 0.455 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -57.9 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A188 R194 S195 | A188-A192 PolarHBondContact O-N 2.8Å; A192-R194 PolarHBondContact O-N 3.25Å; A192-R194 VanDerWaalsContact O-N 3.17Å; A192-S195 PolarHBondContact O-N 3.19Å; A192-S195 VanDerWaalsContact O-N 3.16Å |
| 193 | N | 52.3 | Low | 51 | Low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71.9 | -3.7 | 176.3 | -148.3 | 113.8 | 0 | 0 | 0 | 113.7 | R189 L191 | R189-N193 WeakPolarHBondContact O-CB 3.31Å; R189-N193 PolarHBondContact O-N 3.46Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 2.86Å |
| 194 | R | 56.9 | Low | 50 | Low | 207 Ų | 207 | 141.4 Ų | 141.4 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -98.8 | -23.1 | 171.5 | -140.8 | 175.1 | -178.3 | -109.5 | -2.5 | 112.3 | L191 A192 N196 | L191-R194 WeakPolarHBondContact O-CA 3.15Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 2.99Å; A192-R194 PolarHBondContact O-N 3.25Å; A192-R194 VanDerWaalsContact O-N 3.17Å; R194-N196 VanDerWaalsContact C-N 3.35Å |
| 195 | S | 49.4 | Very low | 48.8 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -80.3 | -10.3 | 178.4 | -166.7 | 0 | 0 | 0 | 0 | 114.5 | L191 A192 | L191-S195 PolarHBondContact O-N 3.48Å; A192-S195 PolarHBondContact O-N 3.19Å; A192-S195 VanDerWaalsContact O-N 3.16Å |
| 196 | N | 43.6 | Very low | 47.1 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 22.1 | 179.6 | -73.1 | -7.3 | 0 | 0 | 0 | 112.5 | R194 | R194-N196 VanDerWaalsContact C-N 3.35Š|
| 197 | Q | 44.8 | Very low | 45.6 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -140.2 | 49.4 | 178.9 | -163 | 175.2 | 0.8 | 0 | 0 | 110.3 | ||
| 198 | D | 34.8 | Very low | 44 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -151.1 | 32.5 | -174.6 | -154.5 | 28.1 | 0 | 0 | 0 | 110.9 | ||
| 199 | D | 37.2 | Very low | 42.2 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -152.1 | 52.6 | -173.5 | -160.1 | 7.6 | 0 | 0 | 0 | 111.8 | ||
| 200 | S | 36.3 | Very low | 40.5 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -167.8 | 142.1 | 166.8 | -77.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 201 | E | 29.4 | Very low | 39.1 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | 72.6 | 91.3 | 166.1 | -64 | 179.4 | 176.9 | 0 | 0 | 118.1 | ||||
| 202 | E | 31.4 | Very low | 37.7 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | trans | -74.8 | 129.3 | 152.1 | -54.8 | 171.1 | 115.6 | 0 | 0 | 109.9 | ||||
| 203 | E | 31.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 149 Ų | 149 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | -174.2 | 139.5 | 123.6 | -119.9 | -172.9 | 147.2 | 0 | 0 | 114.4 | |||||
| 204 | M | 33 | Very low | 35.1 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 70% | 0.7 | 78% | 0.782 | S | S | * | * | trans | 70 | 119.2 | 146 | -144.3 | 155.4 | -169.5 | 0 | 0 | 123.8 | ||||
| 205 | E | 33.1 | Very low | 34 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 67.3 | 84.1 | 145.7 | -71.8 | 176.5 | -177.2 | 0 | 0 | 123 | ||||
| 206 | E | 29.6 | Very low | 33.1 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | 61.5 | 130.7 | 109.2 | -168.2 | 160.8 | -164.5 | 0 | 0 | 123.4 | |||||
| 207 | A | 30.2 | Very low | 32.4 | Very low | 72 Ų | 72 | 150.5 Ų | 150.5 | 60% | 0.595 | 79% | 0.787 | S | S | * | * | trans | 61.7 | 115.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 208 | N | 29.1 | Very low | 32 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | cis | -149.4 | 149.6 | 49.3 | -86.1 | -95.5 | 0 | 0 | 0 | 113.8 | ||||
| 209 | H | 26.9 | Very low | 32.5 | Very low | 139 Ų | 139 | 144 Ų | 144 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | trans | -112.9 | 130.8 | 179.8 | 154.3 | -66.2 | 0 | 0 | 0 | 110.8 | E211 | H209-E211 WeakPolarHBondContact NE2-CG 3.37Å; H209-E211 IonicContact NE2-OE2 2.69Å | ||
| 210 | I | 34.2 | Very low | 32 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -137.3 | 106.3 | 157.3 | -58.9 | -177.7 | 0 | 0 | 0 | 108.3 | ||||
| 211 | E | 33 | Very low | 31.7 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | -88.6 | 147 | 167.2 | -82.4 | -171.6 | 156.4 | 0 | 0 | 112.4 | H209 | H209-E211 WeakPolarHBondContact NE2-CG 3.37Å; H209-E211 IonicContact NE2-OE2 2.69Å | ||
| 212 | A | 31.7 | Very low | 31.8 | Very low | 91 Ų | 91 | 144.4 Ų | 144.4 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -164.8 | 116 | 140 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 213 | T | 30.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 140 Ų | 140 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | 60.9 | 92.5 | 63.8 | -45.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 214 | D | 31.4 | Very low | 32 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | 79.5 | 163.6 | 68.8 | -167.9 | 31.9 | 0 | 0 | 0 | 112.8 | |||||
| 215 | S | 34.5 | Very low | 31.9 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 98.3 | 88.9 | -179 | 72.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 216 | D | 29.7 | Very low | 31.6 | Very low | 163 Ų | 163 | 140 Ų | 140 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | 80.3 | 171.3 | 106.6 | -115.4 | -39.3 | 0 | 0 | 0 | 125.8 | |||||
| 217 | Y | 29.3 | Very low | 31.4 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -95.5 | -179.6 | -167.2 | -152.1 | -145.6 | 0 | 0 | 0 | 111.4 | ||||
| 218 | D | 35.8 | Very low | 31.2 | Very low | 101 Ų | 101 | 143 Ų | 143 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | cis | -142.6 | -84.3 | 12.4 | -177.9 | 3.7 | 0 | 0 | 0 | 114.5 | ||||
| 219 | P | 45 | Very low | 31.2 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 54% | 0.539 | 74% | 0.739 | S | S | . | * | -124.9 | 169.2 | -125.2 | 29.6 | -11 | 0 | 0 | 0 | 118.5 | |||||
| 220 | N | 27.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 79.7 | 145.3 | 166.2 | -56.3 | -71.4 | 0 | 0 | 0 | 115.7 | ||||
| 221 | K | 30.2 | Very low | 30.9 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | cis | -157.2 | 150 | 38.1 | -174.2 | 177.4 | -179.2 | 177.9 | 0 | 114.6 | ||||
| 222 | D | 30.1 | Very low | 30.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -62.1 | 150.7 | 178.2 | -53.5 | -113.9 | 0 | 0 | 0 | 116.8 | ||||
| 223 | A | 33.8 | Very low | 30.5 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -156.7 | 77.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 224 | K | 32.8 | Very low | 30.9 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 31.9 | 128.8 | 137 | -79 | 179.6 | 173.2 | 171.1 | 0 | 122.8 | ||||
| 225 | K | 32.5 | Very low | 30.7 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | 70.8 | 155.1 | 127 | -72.4 | -169.1 | 149.1 | -151 | 0 | 119.4 | |||||
| 226 | E | 25.7 | Very low | 30.5 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | cis | -149.9 | -171 | -1.8 | -134.8 | -174.8 | 95.8 | 0 | 0 | 113.4 | ||||
| 227 | N | 25.9 | Very low | 30.9 | Very low | 124 Ų | 124 | 140 Ų | 140 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -33.1 | 163.6 | 163.3 | -60.7 | -55 | 0 | 0 | 0 | 115.9 | ||||
| 228 | Q | 26.5 | Very low | 31.3 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | cis | -156.2 | -152.9 | 33.3 | -151.9 | 165.1 | 55.3 | 0 | 0 | 112.6 | ||||
| 229 | A | 27.5 | Very low | 31 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -121.2 | 174.4 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 230 | E | 26 | Very low | 30.6 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 74.1 | 123.8 | 157 | -75.5 | -163.4 | 106.1 | 0 | 0 | 123.6 | ||||
| 231 | L | 28.7 | Very low | 30.8 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 80.8 | 159.2 | 133.9 | -72.8 | 171.9 | 0 | 0 | 0 | 123.3 | ||||
| 232 | V | 25.9 | Very low | 31.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | 90.3 | 118.8 | 166.6 | -165.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 233 | V | 30.7 | Very low | 31.6 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -134.3 | 153.8 | 171.6 | 158.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 234 | P | 39.6 | Very low | 31.5 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | cis | -131.9 | -174.1 | 18.2 | 27.8 | -2.9 | 0 | 0 | 0 | 116 | ||||
| 235 | G | 26.7 | Very low | 31.9 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -167.4 | 26.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 236 | T | 30.7 | Very low | 32.1 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 51.7 | 94.6 | 149.9 | -42.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 237 | K | 37.3 | Very low | 32.6 | Very low | 197 Ų | 197 | 148 Ų | 148 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | 66.7 | -172.6 | 139.4 | -48.8 | 178.1 | -179.4 | 176 | 0 | 118.2 | ||||
| 238 | P | 37.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | -131.6 | 159.7 | -96.1 | 40.4 | -22.4 | 0 | 0 | 0 | 116.5 | |||||
| 239 | A | 29.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -137.9 | 141.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 240 | L | 37.8 | Very low | 35 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | -92 | 122.1 | -179.2 | -69.4 | 167 | 0 | 0 | 0 | 111 | ||||
| 241 | G | 32 | Very low | 35.9 | Very low | 78 Ų | 78 | 154.1 Ų | 154.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -126.9 | 99.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 242 | R | 41 | Very low | 36.8 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | trans | -98.3 | 93.5 | -176.5 | -163.1 | -163.1 | -141.9 | -76.4 | 5 | 111.8 | ||||
| 243 | R | 35.4 | Very low | 37.9 | Very low | 233 Ų | 233 | 156.5 Ų | 156.5 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -153 | 147.4 | 162.8 | -71.3 | -166.9 | -175.2 | 176 | 0.9 | 109 | ||||
| 244 | E | 31.8 | Very low | 38.5 | Very low | 174 Ų | 174 | 158.1 Ų | 158.1 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | cis | -157.4 | 162.8 | -25.5 | -169.8 | 152.5 | -145.3 | 0 | 0 | 107.3 | Q246 | E244-Q246 PolarHBondContact O-N 3.36Š| ||
| 245 | H | 40.3 | Very low | 39.1 | Very low | 164 Ų | 164 | 161.8 Ų | 161.8 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -77.2 | 115 | -174.3 | -108.7 | -116.5 | 0 | 0 | 0 | 112.4 | ||||
| 246 | Q | 37.2 | Very low | 40.2 | Very low | 174 Ų | 174 | 163.2 Ų | 163.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -149.4 | 148 | 163.9 | -144.7 | 162.2 | 94.8 | 0 | 0 | 112.1 | E244 | E244-Q246 PolarHBondContact O-N 3.36Š| ||
| 247 | T | 36.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 168.1 Ų | 168.1 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | 72.5 | 32.4 | 173.8 | 71.4 | 0 | 0 | 0 | 0 | 119.9 | Q249 | T247-Q249 PolarHBondContact O-N 2.92Š| ||
| 248 | L | 49 | Very low | 43.1 | Very low | 142 Ų | 142 | 164 Ų | 164 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 53.4 | 163.3 | -78.8 | 177.6 | 0 | 0 | 0 | 113.2 | ||
| 249 | Q | 40.8 | Very low | 45.1 | Very low | 167 Ų | 167 | 168.6 Ų | 168.6 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | -12.4 | -179.5 | -73.9 | -66.9 | -5.5 | 0 | 0 | 114.6 | T247 | T247-Q249 PolarHBondContact O-N 2.92Š|
| 250 | H | 41.6 | Very low | 47.9 | Very low | 177 Ų | 177 | 166.5 Ų | 166.5 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -110.3 | -9.1 | -175.9 | -94.1 | 43.7 | 0 | 0 | 0 | 115.8 | H252 | H250-H252 PolarHBondContact O-N 3.19Š|
| 251 | R | 43.2 | Very low | 50.5 | Low | 217 Ų | 217 | 162.2 Ų | 162.2 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -90.5 | 9.2 | -173.5 | -150.4 | 175.3 | 177.1 | 142.9 | 2.2 | 115.5 | ||
| 252 | H | 49.6 | Very low | 53.3 | Low | 154 Ų | 154 | 168.9 Ų | 168.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -82.4 | -40.3 | -177.3 | -160.4 | -10 | 0 | 0 | 0 | 113.5 | H250 Q254 R255 | H250-H252 PolarHBondContact O-N 3.19Å; H252-Q254 PolarHBondContact O-N 3.27Å; H252-Q254 VanDerWaalsContact O-N 3.11Å; H252-R255 PolarHBondContact O-N 3.17Å |
| 253 | H | 47.3 | Very low | 55.7 | Low | 179 Ų | 179 | 160 Ų | 160 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -13.3 | -171.1 | -81.7 | 98.8 | 0 | 0 | 0 | 115.4 | S256 | H253-S256 PolarHBondContact O-OG 3.31Š|
| 254 | Q | 44.5 | Very low | 58.5 | Low | 166 Ų | 166 | 153.6 Ų | 153.6 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 3.3 | -176.2 | -146.5 | 178 | 18.3 | 0 | 0 | 114.6 | H252 | H252-Q254 PolarHBondContact O-N 3.27Å; H252-Q254 VanDerWaalsContact O-N 3.11Å |
| 255 | R | 52 | Low | 61.5 | Low | 198 Ų | 198 | 154.8 Ų | 154.8 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -81.7 | -22.3 | 174.7 | -73.3 | -170.1 | 176.1 | -166.3 | -1.1 | 114 | H252 R257 C258 | H252-R255 PolarHBondContact O-N 3.17Å; R255-R257 PolarHBondContact O-N 3.11Å; R255-R257 VanDerWaalsContact O-N 3.14Å; R255-C258 PolarHBondContact O-N 3.41Å |
| 256 | S | 50.2 | Low | 64 | Low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -1.9 | -169.6 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | H253 | H253-S256 PolarHBondContact O-OG 3.31Š|
| 257 | R | 60 | Low | 66.7 | Low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 17.8 | 178.1 | -64.4 | -167.3 | 179.2 | -157.4 | 0.9 | 114.5 | R255 R259 | R255-R257 PolarHBondContact O-N 3.11Å; R255-R257 VanDerWaalsContact O-N 3.14Å; R257-R259 PolarHBondContact O-N 3.39Å |
| 258 | C | 68 | Low | 69.4 | Low | 109 Ų | 109 | 148.5 Ų | 148.5 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -71.7 | 75.3 | 168.7 | -67.3 | 0 | 0 | 0 | 0 | 111 | R255 | R255-C258 PolarHBondContact O-N 3.41Š| ||
| 259 | R | 80.1 | Confident | 71.7 | Confident | 224 Ų | 224 | 149.3 Ų | 149.3 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 152.2 | 163.7 | -65.2 | -172.8 | -179.1 | -80.1 | 1.8 | 109.3 | R257 | R257-R259 PolarHBondContact O-N 3.39Š|
| 260 | P | 87.9 | Confident | 74.3 | Confident | 60 Ų | 60 | 145.1 Ų | 145.1 | 39% | 0.39 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 157.4 | 170.4 | 28.6 | -35.9 | 0 | 0 | 0 | 110.8 | M264 L266 | P260-M264 HydrophobicContact CB-CB 4.23Å; P260-M264 HydrophobicContact CB-CG 4.15Å; P260-M264 WeakPolarHBondContact CB-O 3.36Å; P260-M264 WeakPolarHBondContact CG-O 3.35Å; P260-L266 HydrophobicContact CB-CB 4.41Å; P260-L266 HydrophobicContact CB-CD1 4.27Å |
| 261 | P | 92.8 | Very high | 76.9 | Confident | 95 Ų | 95 | 140.1 Ų | 140.1 | 62% | 0.617 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 153.4 | 175.9 | -27.3 | 35.4 | 0 | 0 | 0 | 113.2 | G263 M264 | P261-G263 PolarHBondContact O-N 3.48Å; P261-M264 HydrophobicContact CB-CB 4.24Å; P261-M264 WeakPolarHBondContact O-CB 3.4Å; P261-M264 PolarHBondContact O-N 2.95Å |
| 262 | K | 90.3 | Very high | 79.4 | Confident | 218 Ų | 218 | 133.4 Ų | 133.4 | 95% | 0.948 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 125 | 176.5 | -172.5 | 84.3 | 172.5 | -164.9 | 0 | 109.5 | ||
| 263 | G | 92.1 | Very high | 81.6 | Confident | 62 Ų | 62 | 128.3 Ų | 128.3 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.8 | -6.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P261 | P261-G263 PolarHBondContact O-N 3.48Š|
| 264 | M | 94.4 | Very high | 84 | Confident | 99 Ų | 99 | 123 Ų | 123 | 49% | 0.488 | 62% | 0.622 | S | S | . | * | trans | -96.5 | 122.8 | 172 | -177.9 | 58.9 | 65.3 | 0 | 0 | 110.1 | P260 P261 L266 | P260-M264 HydrophobicContact CB-CB 4.23Å; P260-M264 HydrophobicContact CB-CG 4.15Å; P260-M264 WeakPolarHBondContact CB-O 3.36Å; P260-M264 WeakPolarHBondContact CG-O 3.35Å; P261-M264 HydrophobicContact CB-CB 4.24Å; P261-M264 WeakPolarHBondContact O-CB 3.4Å; P261-M264 PolarHBondContact O-N 2.95Å; M264-L266 HydrophobicContact CG-CD1 3.8Å; M264-L266 HydrophobicContact CG-CG 3.96Å; M264-L266 HydrophobicContact SD-CD1 4.35Å; M264-L266 HydrophobicContact SD-CG 4.21Å | ||
| 265 | Y | 93 | Very high | 86.4 | Confident | 199 Ų | 199 | 119.1 Ų | 119.1 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | trans | -107.5 | 116.9 | 179.1 | -58.8 | -86 | 0 | 0 | 0 | 109.1 | ||||
| 266 | L | 93.7 | Very high | 88.5 | Confident | 107 Ų | 107 | 114.1 Ų | 114.1 | 56% | 0.56 | 61% | 0.608 | S | S | * | * | trans | -140.4 | 103.6 | -178.8 | -71.4 | 170.7 | 0 | 0 | 0 | 108.3 | P260 M264 V271 | P260-L266 HydrophobicContact CB-CB 4.41Å; P260-L266 HydrophobicContact CB-CD1 4.27Å; M264-L266 HydrophobicContact CG-CD1 3.8Å; M264-L266 HydrophobicContact CG-CG 3.96Å; M264-L266 HydrophobicContact SD-CD1 4.35Å; M264-L266 HydrophobicContact SD-CG 4.21Å; L266-V271 HydrophobicContact CD2-CG2 4.33Å | ||
| 267 | T | 93.7 | Very high | 90.6 | Very high | 67 Ų | 67 | 112 Ų | 112 | 41% | 0.411 | 59% | 0.593 | S | S | . | * | trans | -106.6 | 160.6 | 171.1 | 79.9 | 0 | 0 | 0 | 0 | 110.5 | E269 D270 V271 | T267-E269 PolarHBondContact O-N 2.98Å; T267-E269 PolarHBondContact OG1-N 2.81Å; T267-D270 WeakPolarHBondContact CB-OD2 3.45Å; T267-D270 VanDerWaalsContact CG2-OD2 3.25Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.46Å; T267-D270 PolarHBondContact OG1-N 3.37Å; T267-D270 PolarHBondContact OG1-OD2 2.92Å; T267-V271 WeakPolarHBondContact O-CB 3.27Å; T267-V271 VanDerWaalsContact O-CG2 3.25Å; T267-V271 WeakPolarHBondContact O-CG2 3.24Å; T267-V271 PolarHBondContact O-N 3.5Å | ||
| 268 | Q | 94.2 | Very high | 92.3 | Very high | 151 Ų | 151 | 106.5 Ų | 106.5 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -31.2 | 174.6 | -178.6 | 60.1 | 35.3 | 0 | 0 | 111.9 | V272 | Q268-V272 WeakPolarHBondContact O-CB 3.5Å; Q268-V272 VanDerWaalsContact O-CG2 3.25Å; Q268-V272 WeakPolarHBondContact O-CG2 3.47Å; Q268-V272 PolarHBondContact O-N 2.78Å |
| 269 | E | 96.5 | Very high | 93.7 | Very high | 159 Ų | 159 | 104.5 Ų | 104.5 | 74% | 0.743 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.5 | -52.6 | -179.8 | -175.1 | 170.1 | -173.9 | 0 | 0 | 111.1 | T267 V271 V272 A273 | T267-E269 PolarHBondContact O-N 2.98Å; T267-E269 PolarHBondContact OG1-N 2.81Å; E269-V271 VanDerWaalsContact C-N 3.32Å; E269-V271 PolarHBondContact O-N 3.12Å; E269-V272 PolarHBondContact O-N 3.39Å; E269-A273 WeakPolarHBondContact O-CB 3.36Å; E269-A273 PolarHBondContact O-N 3.16Å |
| 270 | D | 95.7 | Very high | 94.4 | Very high | 79 Ų | 79 | 94.4 Ų | 94.4 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 177.9 | -59.9 | -54.6 | 0 | 0 | 0 | 111.6 | T267 V272 A273 V274 | T267-D270 WeakPolarHBondContact CB-OD2 3.45Å; T267-D270 VanDerWaalsContact CG2-OD2 3.25Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.46Å; T267-D270 PolarHBondContact OG1-N 3.37Å; T267-D270 PolarHBondContact OG1-OD2 2.92Å; D270-V272 PolarHBondContact O-N 3.24Å; D270-A273 PolarHBondContact O-N 3.2Å; D270-V274 VanDerWaalsContact O-CB 3.3Å; D270-V274 WeakPolarHBondContact O-CB 3.42Å; D270-V274 VanDerWaalsContact O-CG2 3.24Å; D270-V274 WeakPolarHBondContact O-CG2 3.27Å; D270-V274 PolarHBondContact O-N 3.45Å |
| 271 | V | 95.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 93.1 Ų | 93.1 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | -179.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L266 T267 E269 S275 | L266-V271 HydrophobicContact CD2-CG2 4.33Å; T267-V271 WeakPolarHBondContact O-CB 3.27Å; T267-V271 VanDerWaalsContact O-CG2 3.25Å; T267-V271 WeakPolarHBondContact O-CG2 3.24Å; T267-V271 PolarHBondContact O-N 3.5Å; E269-V271 VanDerWaalsContact C-N 3.32Å; E269-V271 PolarHBondContact O-N 3.12Å; V271-S275 VanDerWaalsContact O-CB 3.3Å; V271-S275 WeakPolarHBondContact O-CB 3.31Å; V271-S275 PolarHBondContact O-N 3.49Å; V271-S275 VanDerWaalsContact O-N 3.07Å; V271-S275 PolarHBondContact O-OG 3.06Å |
| 272 | V | 96.9 | Very high | 95 | Very high | 77 Ų | 77 | 93.1 Ų | 93.1 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.5 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | Q268 E269 D270 V274 S275 C276 | Q268-V272 WeakPolarHBondContact O-CB 3.5Å; Q268-V272 VanDerWaalsContact O-CG2 3.25Å; Q268-V272 WeakPolarHBondContact O-CG2 3.47Å; Q268-V272 PolarHBondContact O-N 2.78Å; E269-V272 PolarHBondContact O-N 3.39Å; D270-V272 PolarHBondContact O-N 3.24Å; V272-V274 PolarHBondContact O-N 3.25Å; V272-S275 PolarHBondContact O-N 3.09Å; V272-S275 PolarHBondContact O-OG 3.34Å; V272-C276 WeakPolarHBondContact O-CB 3.37Å; V272-C276 PolarHBondContact O-N 3.42Å |
| 273 | A | 95.5 | Very high | 95.3 | Very high | 46 Ų | 46 | 86 Ų | 86 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E269 D270 C276 A280 | E269-A273 WeakPolarHBondContact O-CB 3.36Å; E269-A273 PolarHBondContact O-N 3.16Å; D270-A273 PolarHBondContact O-N 3.2Å; A273-C276 PolarHBondContact O-SG 3.24Å; A273-A280 WeakPolarHBondContact O-CB 3.37Å |
| 274 | V | 96.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 86.3 Ų | 86.3 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.2 | -33.1 | 177.9 | 171.1 | 0 | 0 | 0 | 0 | 112 | D270 V272 A281 L284 | D270-V274 VanDerWaalsContact O-CB 3.3Å; D270-V274 WeakPolarHBondContact O-CB 3.42Å; D270-V274 VanDerWaalsContact O-CG2 3.24Å; D270-V274 WeakPolarHBondContact O-CG2 3.27Å; D270-V274 PolarHBondContact O-N 3.45Å; V272-V274 PolarHBondContact O-N 3.25Å; V274-A281 HydrophobicContact CG1-CB 3.84Å; V274-L284 HydrophobicContact CG2-CD2 3.94Å |
| 275 | S | 95.9 | Very high | 95.7 | Very high | 85 Ų | 85 | 86.6 Ų | 86.6 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -92.1 | -7.4 | -177.1 | 72.2 | 0 | 0 | 0 | 0 | 115.8 | V271 V272 S277 | V271-S275 VanDerWaalsContact O-CB 3.3Å; V271-S275 WeakPolarHBondContact O-CB 3.31Å; V271-S275 PolarHBondContact O-N 3.49Å; V271-S275 VanDerWaalsContact O-N 3.07Å; V271-S275 PolarHBondContact O-OG 3.06Å; V272-S275 PolarHBondContact O-N 3.09Å; V272-S275 PolarHBondContact O-OG 3.34Å; S275-S277 PolarHBondContact O-N 3.25Å; S275-S277 VanDerWaalsContact O-N 3.11Å |
| 276 | C | 94.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 83.8 Ų | 83.8 | 64% | 0.635 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -63.4 | -20.5 | -170.3 | 72.4 | 0 | 0 | 0 | 0 | 114.8 | V272 A273 A280 | V272-C276 WeakPolarHBondContact O-CB 3.37Å; V272-C276 PolarHBondContact O-N 3.42Å; A273-C276 PolarHBondContact O-SG 3.24Å; C276-A280 WeakPolarHBondContact SG-CB 3.36Å |
| 277 | S | 96 | Very high | 96.1 | Very high | 58 Ų | 58 | 83.3 Ų | 83.3 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -158.1 | 163.2 | 169 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | S275 S279 A280 | S275-S277 PolarHBondContact O-N 3.25Å; S275-S277 VanDerWaalsContact O-N 3.11Å; S277-S279 PolarHBondContact O-N 3.37Å; S277-A280 WeakPolarHBondContact O-CB 3.3Å; S277-A280 PolarHBondContact O-N 3.48Å; S277-A280 VanDerWaalsContact O-N 3.08Å; S277-A280 PolarHBondContact OG-N 3.15Å |
| 278 | A | 95.1 | Very high | 96.3 | Very high | 110 Ų | 110 | 84.4 Ų | 84.4 | 91% | 0.909 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 279 | S | 96.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -1.9 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | S277 N282 T283 | S277-S279 PolarHBondContact O-N 3.37Å; S279-N282 PolarHBondContact O-N 2.94Å; S279-T283 WeakPolarHBondContact O-CB 3.35Å; S279-T283 PolarHBondContact O-N 2.85Å; S279-T283 VanDerWaalsContact O-N 3.12Å; S279-T283 PolarHBondContact O-OG1 2.95Å |
| 280 | A | 96.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 80.8 Ų | 80.8 | 9% | 0.091 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.5 | -53.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A273 C276 S277 N282 T283 L284 | A273-A280 WeakPolarHBondContact O-CB 3.37Å; C276-A280 WeakPolarHBondContact SG-CB 3.36Å; S277-A280 WeakPolarHBondContact O-CB 3.3Å; S277-A280 PolarHBondContact O-N 3.48Å; S277-A280 VanDerWaalsContact O-N 3.08Å; S277-A280 PolarHBondContact OG-N 3.15Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 3.46Å; A280-T283 WeakPolarHBondContact O-CA 3.46Å; A280-T283 WeakPolarHBondContact O-CB 3.43Å; A280-T283 PolarHBondContact O-N 3.36Å; A280-L284 PolarHBondContact O-N 3.48Å |
| 281 | A | 95.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 81.2 Ų | 81.2 | 27% | 0.273 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -48.4 | -51.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | V274 T283 L284 L285 | V274-A281 HydrophobicContact CG1-CB 3.84Å; A281-T283 PolarHBondContact O-N 3.35Å; A281-L284 PolarHBondContact O-N 3.09Å; A281-L285 WeakPolarHBondContact O-CG 3.45Å; A281-L285 PolarHBondContact O-N 3.22Å |
| 282 | N | 96.5 | Very high | 96.9 | Very high | 95 Ų | 95 | 81.8 Ų | 81.8 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.2 | -21.8 | 179.7 | -71 | -50.4 | 0 | 0 | 0 | 113.5 | S279 A280 R286 | S279-N282 PolarHBondContact O-N 2.94Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 3.46Å; N282-R286 WeakPolarHBondContact O-CG 3.49Å; N282-R286 PolarHBondContact O-N 3.14Å; N282-R286 PolarHBondContact O-NE 3.21Å; N282-R286 PolarHBondContact O-NH2 2.87Å |
| 283 | T | 97.3 | Very high | 97 | Very high | 69 Ų | 69 | 82.3 Ų | 82.3 | 42% | 0.423 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -86.6 | -41.8 | 179.4 | -57 | 0 | 0 | 0 | 0 | 110.8 | S279 A280 A281 R286 Q287 | S279-T283 WeakPolarHBondContact O-CB 3.35Å; S279-T283 PolarHBondContact O-N 2.85Å; S279-T283 VanDerWaalsContact O-N 3.12Å; S279-T283 PolarHBondContact O-OG1 2.95Å; A280-T283 WeakPolarHBondContact O-CA 3.46Å; A280-T283 WeakPolarHBondContact O-CB 3.43Å; A280-T283 PolarHBondContact O-N 3.36Å; A281-T283 PolarHBondContact O-N 3.35Å; T283-R286 PolarHBondContact O-N 3.39Å; T283-Q287 PolarHBondContact O-N 3.1Å |
| 284 | L | 96.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 82.5 Ų | 82.5 | 36% | 0.356 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 172.9 | -177.2 | 60.6 | 0 | 0 | 0 | 111.7 | V274 A280 A281 R286 Q287 L288 | V274-L284 HydrophobicContact CG2-CD2 3.94Å; A280-L284 PolarHBondContact O-N 3.48Å; A281-L284 PolarHBondContact O-N 3.09Å; L284-R286 PolarHBondContact O-N 3.14Å; L284-Q287 WeakPolarHBondContact O-CB 3.41Å; L284-Q287 PolarHBondContact O-N 3.12Å; L284-L288 HydrophobicContact CG-CD1 4.3Å; L284-L288 WeakPolarHBondContact O-CG 3.39Å; L284-L288 PolarHBondContact O-N 3.32Å |
| 285 | L | 97.1 | Very high | 97.2 | Very high | 105 Ų | 105 | 84 Ų | 84 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.3 | -70.4 | 171.7 | 0 | 0 | 0 | 112 | A281 Q287 L288 D289 | A281-L285 WeakPolarHBondContact O-CG 3.45Å; A281-L285 PolarHBondContact O-N 3.22Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 3.23Å; L285-L288 PolarHBondContact O-N 3.14Å; L285-D289 PolarHBondContact O-N 3.47Å |
| 286 | R | 97.6 | Very high | 97.3 | Very high | 140 Ų | 140 | 85.8 Ų | 85.8 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 176.1 | -83 | -173.6 | -90.2 | 96.7 | -1.9 | 113.3 | N282 T283 L284 M290 | N282-R286 WeakPolarHBondContact O-CG 3.49Å; N282-R286 PolarHBondContact O-N 3.14Å; N282-R286 PolarHBondContact O-NE 3.21Å; N282-R286 PolarHBondContact O-NH2 2.87Å; T283-R286 PolarHBondContact O-N 3.39Å; L284-R286 PolarHBondContact O-N 3.14Å; R286-M290 WeakPolarHBondContact O-CG 3.41Å; R286-M290 PolarHBondContact O-N 2.85Å; R286-M290 VanDerWaalsContact O-N 3.08Å |
| 287 | Q | 98 | Very high | 97.5 | Very high | 97 Ų | 97 | 88.6 Ų | 88.6 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 174.2 | 179.9 | 61.1 | 27.4 | 0 | 0 | 110.9 | T283 L284 L285 D289 M290 E291 | T283-Q287 PolarHBondContact O-N 3.1Å; L284-Q287 WeakPolarHBondContact O-CB 3.41Å; L284-Q287 PolarHBondContact O-N 3.12Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 3.23Å; Q287-D289 VanDerWaalsContact C-N 3.35Å; Q287-D289 PolarHBondContact O-N 2.71Å; Q287-M290 PolarHBondContact O-N 2.94Å; Q287-M290 VanDerWaalsContact O-N 3.16Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.35Å; Q287-E291 PolarHBondContact NE2-OE1 3.48Å; Q287-E291 PolarHBondContact O-N 2.68Å |
| 288 | L | 98 | Very high | 97.6 | Very high | 90 Ų | 90 | 92 Ų | 92 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 177.6 | -67.1 | 170.3 | 0 | 0 | 0 | 112.4 | L284 L285 E291 L292 | L284-L288 HydrophobicContact CG-CD1 4.3Å; L284-L288 WeakPolarHBondContact O-CG 3.39Å; L284-L288 PolarHBondContact O-N 3.32Å; L285-L288 PolarHBondContact O-N 3.14Å; L288-E291 PolarHBondContact O-N 3.38Å; L288-L292 VanDerWaalsContact O-CB 3.22Å; L288-L292 WeakPolarHBondContact O-CB 3.47Å; L288-L292 PolarHBondContact O-N 3.44Å |
| 289 | D | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 90.6 Ų | 90.6 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 172.5 | -82.2 | -37.3 | 0 | 0 | 0 | 112.1 | L285 Q287 L292 V293 | L285-D289 PolarHBondContact O-N 3.47Å; Q287-D289 VanDerWaalsContact C-N 3.35Å; Q287-D289 PolarHBondContact O-N 2.71Å; D289-L292 PolarHBondContact O-N 2.96Å; D289-V293 WeakPolarHBondContact O-CG2 3.4Å; D289-V293 PolarHBondContact O-N 3.42Å |
| 290 | M | 98.3 | Very high | 97.9 | Very high | 138 Ų | 138 | 93 Ų | 93 | 68% | 0.68 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 177.2 | -74 | -171 | 70.3 | 0 | 0 | 112.1 | R286 Q287 V293 S294 | R286-M290 WeakPolarHBondContact O-CG 3.41Å; R286-M290 PolarHBondContact O-N 2.85Å; R286-M290 VanDerWaalsContact O-N 3.08Å; Q287-M290 PolarHBondContact O-N 2.94Å; Q287-M290 VanDerWaalsContact O-N 3.16Å; M290-V293 PolarHBondContact O-N 3.28Å; M290-S294 WeakPolarHBondContact O-CB 3.3Å; M290-S294 PolarHBondContact O-N 3.05Å |
| 291 | E | 98.4 | Very high | 98 | Very high | 88 Ų | 88 | 97 Ų | 97 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 173.3 | -74.7 | 174.6 | -157.5 | 0 | 0 | 111.7 | Q287 L288 V293 S294 L295 | Q287-E291 WeakPolarHBondContact CG-OE1 3.35Å; Q287-E291 PolarHBondContact NE2-OE1 3.48Å; Q287-E291 PolarHBondContact O-N 2.68Å; L288-E291 PolarHBondContact O-N 3.38Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 3.25Å; E291-S294 CarbonylContact O-C 3.09Å; E291-S294 WeakPolarHBondContact O-CA 3.45Å; E291-S294 WeakPolarHBondContact O-CB 3.43Å; E291-S294 PolarHBondContact O-N 3.25Å; E291-L295 WeakPolarHBondContact O-CB 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 2.88Å |
| 292 | L | 98.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 97.4 Ų | 97.4 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 175.7 | 179.9 | 62.3 | 0 | 0 | 0 | 112.1 | L288 D289 K296 | L288-L292 VanDerWaalsContact O-CB 3.22Å; L288-L292 WeakPolarHBondContact O-CB 3.47Å; L288-L292 PolarHBondContact O-N 3.44Å; D289-L292 PolarHBondContact O-N 2.96Å; L292-K296 HydrophobicContact CD1-CD 4.35Å; L292-K296 HydrophobicContact CG-CD 4.19Å; L292-K296 VanDerWaalsContact O-CB 3.29Å; L292-K296 WeakPolarHBondContact O-CB 3.47Å; L292-K296 WeakPolarHBondContact O-CD 3.34Å; L292-K296 WeakPolarHBondContact O-CG 3.25Å; L292-K296 PolarHBondContact O-N 3Å |
| 293 | V | 98.6 | Very high | 98.2 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 173.7 | 170 | 0 | 0 | 0 | 0 | 111.5 | D289 M290 E291 R297 | D289-V293 WeakPolarHBondContact O-CG2 3.4Å; D289-V293 PolarHBondContact O-N 3.42Å; M290-V293 PolarHBondContact O-N 3.28Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 3.25Å; V293-R297 WeakPolarHBondContact O-CB 3.49Å; V293-R297 PolarHBondContact O-N 3.11Å |
| 294 | S | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 102.4 Ų | 102.4 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 176.7 | -150.3 | 0 | 0 | 0 | 0 | 112.3 | M290 E291 R297 Q298 | M290-S294 WeakPolarHBondContact O-CB 3.3Å; M290-S294 PolarHBondContact O-N 3.05Å; E291-S294 CarbonylContact O-C 3.09Å; E291-S294 WeakPolarHBondContact O-CA 3.45Å; E291-S294 WeakPolarHBondContact O-CB 3.43Å; E291-S294 PolarHBondContact O-N 3.25Å; S294-R297 WeakPolarHBondContact O-CB 3.37Å; S294-R297 PolarHBondContact O-N 3.3Å; S294-R297 PolarHBondContact OG-NH2 3.41Å; S294-Q298 PolarHBondContact O-N 2.89Å |
| 295 | L | 98.6 | Very high | 98.3 | Very high | 99 Ų | 99 | 104.5 Ų | 104.5 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.1 | -69.5 | 168.6 | 0 | 0 | 0 | 111.5 | E291 R297 Q298 V299 | E291-L295 WeakPolarHBondContact O-CB 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 2.88Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.36Å; L295-Q298 PolarHBondContact O-N 3.45Å; L295-V299 WeakPolarHBondContact O-CG2 3.25Å; L295-V299 PolarHBondContact O-N 3.23Å |
| 296 | K | 98.6 | Very high | 98.3 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 53% | 0.53 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.9 | -43.1 | 172.6 | -79.2 | 167.8 | 179.8 | 169.7 | 0 | 111.8 | L292 V299 Q300 | L292-K296 HydrophobicContact CD1-CD 4.35Å; L292-K296 HydrophobicContact CG-CD 4.19Å; L292-K296 VanDerWaalsContact O-CB 3.29Å; L292-K296 WeakPolarHBondContact O-CB 3.47Å; L292-K296 WeakPolarHBondContact O-CD 3.34Å; L292-K296 WeakPolarHBondContact O-CG 3.25Å; L292-K296 PolarHBondContact O-N 3Å; K296-V299 PolarHBondContact O-N 2.91Å; K296-Q300 WeakPolarHBondContact O-CG 3.41Å; K296-Q300 PolarHBondContact O-N 3.31Å; K296-Q300 VanDerWaalsContact O-N 3.15Å |
| 297 | R | 98.6 | Very high | 98.3 | Very high | 153 Ų | 153 | 100.8 Ų | 100.8 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 176.4 | -174.8 | 176.5 | 63.8 | -96.8 | -7.9 | 112 | V293 S294 L295 Q300 N301 | V293-R297 WeakPolarHBondContact O-CB 3.49Å; V293-R297 PolarHBondContact O-N 3.11Å; S294-R297 WeakPolarHBondContact O-CB 3.37Å; S294-R297 PolarHBondContact O-N 3.3Å; S294-R297 PolarHBondContact OG-NH2 3.41Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.36Å; R297-Q300 PolarHBondContact O-N 2.8Å; R297-N301 PolarHBondContact O-N 3.02Å |
| 298 | Q | 98.4 | Very high | 98.3 | Very high | 129 Ų | 129 | 98 Ų | 98 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 175.9 | -169.6 | 179.7 | 13.7 | 0 | 0 | 111.8 | S294 L295 Q300 N301 A302 | S294-Q298 PolarHBondContact O-N 2.89Å; L295-Q298 PolarHBondContact O-N 3.45Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 2.99Å; Q298-N301 PolarHBondContact O-N 2.94Å; Q298-A302 WeakPolarHBondContact O-CB 3.47Å; Q298-A302 PolarHBondContact O-N 2.95Å |
| 299 | V | 98.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 98.3 Ų | 98.3 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 175.6 | 168 | 0 | 0 | 0 | 0 | 112.1 | L295 K296 K303 | L295-V299 WeakPolarHBondContact O-CG2 3.25Å; L295-V299 PolarHBondContact O-N 3.23Å; K296-V299 PolarHBondContact O-N 2.91Å; V299-K303 HydrophobicContact CG1-CD 4.26Å; V299-K303 WeakPolarHBondContact O-CB 3.48Å; V299-K303 VanDerWaalsContact O-CG 3.29Å; V299-K303 WeakPolarHBondContact O-CG 3.5Å; V299-K303 PolarHBondContact O-N 3.47Å |
| 300 | Q | 98.6 | Very high | 98.1 | Very high | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.3 | -38 | 176.4 | -61.6 | -66.1 | 17.4 | 0 | 0 | 112.3 | K296 R297 Q298 K303 Q304 | K296-Q300 WeakPolarHBondContact O-CG 3.41Å; K296-Q300 PolarHBondContact O-N 3.31Å; K296-Q300 VanDerWaalsContact O-N 3.15Å; R297-Q300 PolarHBondContact O-N 2.8Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 2.99Å; Q300-K303 PolarHBondContact O-N 3.44Å; Q300-K303 VanDerWaalsContact OE1-CD 3.3Å; Q300-Q304 PolarHBondContact O-N 3.23Å |
| 301 | N | 98.5 | Very high | 98 | Very high | 94 Ų | 94 | 102.2 Ų | 102.2 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173 | 176.4 | -103 | 0 | 0 | 0 | 111.8 | R297 Q298 K303 Q304 M305 | R297-N301 PolarHBondContact O-N 3.02Å; Q298-N301 PolarHBondContact O-N 2.94Å; N301-K303 VanDerWaalsContact C-N 3.32Å; N301-K303 PolarHBondContact O-N 2.9Å; N301-Q304 WeakPolarHBondContact O-CB 3.35Å; N301-Q304 PolarHBondContact O-N 3.33Å; N301-Q304 VanDerWaalsContact O-N 3.14Å; N301-M305 WeakPolarHBondContact O-CG 3.25Å; N301-M305 PolarHBondContact O-N 2.92Å |
| 302 | A | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 104.5 Ų | 104.5 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q298 N306 | Q298-A302 WeakPolarHBondContact O-CB 3.47Å; Q298-A302 PolarHBondContact O-N 2.95Å; A302-N306 VanDerWaalsContact O-CB 3.26Å; A302-N306 WeakPolarHBondContact O-CB 3.37Å; A302-N306 PolarHBondContact O-N 2.9Å; A302-N306 PolarHBondContact O-ND2 3.46Å |
| 303 | K | 98.4 | Very high | 97.6 | Very high | 122 Ų | 122 | 106.7 Ų | 106.7 | 53% | 0.53 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 172 | -79.2 | 170.9 | 174.8 | -176.1 | 0 | 112.3 | V299 Q300 N301 N306 S307 | V299-K303 HydrophobicContact CG1-CD 4.26Å; V299-K303 WeakPolarHBondContact O-CB 3.48Å; V299-K303 VanDerWaalsContact O-CG 3.29Å; V299-K303 WeakPolarHBondContact O-CG 3.5Å; V299-K303 PolarHBondContact O-N 3.47Å; Q300-K303 PolarHBondContact O-N 3.44Å; Q300-K303 VanDerWaalsContact OE1-CD 3.3Å; N301-K303 VanDerWaalsContact C-N 3.32Å; N301-K303 PolarHBondContact O-N 2.9Å; K303-N306 PolarHBondContact O-N 3.45Å; K303-S307 WeakPolarHBondContact O-CB 3.35Å; K303-S307 PolarHBondContact O-N 3.32Å |
| 304 | Q | 98.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 109.3 Ų | 109.3 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.1 | -47.2 | 178.1 | -173.9 | 178.2 | -1.9 | 0 | 0 | 111.4 | Q300 N301 S307 G308 | Q300-Q304 PolarHBondContact O-N 3.23Å; N301-Q304 WeakPolarHBondContact O-CB 3.35Å; N301-Q304 PolarHBondContact O-N 3.33Å; N301-Q304 VanDerWaalsContact O-N 3.14Å; Q304-S307 WeakPolarHBondContact O-CB 3.36Å; Q304-S307 PolarHBondContact O-N 2.72Å; Q304-G308 PolarHBondContact O-N 2.84Å; Q304-G308 VanDerWaalsContact O-N 3.15Å |
| 305 | M | 98.1 | Very high | 96.7 | Very high | 113 Ų | 113 | 111.1 Ų | 111.1 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.7 | -49.1 | 175.7 | -68.3 | -59.6 | -64.2 | 0 | 0 | 111.8 | N301 S307 G308 L309 | N301-M305 WeakPolarHBondContact O-CG 3.25Å; N301-M305 PolarHBondContact O-N 2.92Å; M305-S307 VanDerWaalsContact C-N 3.26Å; M305-S307 PolarHBondContact O-N 3.19Å; M305-G308 PolarHBondContact O-N 3.12Å; M305-G308 VanDerWaalsContact O-N 3.16Å; M305-L309 WeakPolarHBondContact O-CG 3.27Å; M305-L309 PolarHBondContact O-N 3.4Å |
| 306 | N | 97.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 108.1 Ų | 108.1 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -28.6 | 178.4 | -71.4 | -16.7 | 0 | 0 | 0 | 112.8 | A302 K303 K310 | A302-N306 VanDerWaalsContact O-CB 3.26Å; A302-N306 WeakPolarHBondContact O-CB 3.37Å; A302-N306 PolarHBondContact O-N 2.9Å; A302-N306 PolarHBondContact O-ND2 3.46Å; K303-N306 PolarHBondContact O-N 3.45Å; N306-K310 WeakPolarHBondContact O-CB 3.36Å; N306-K310 VanDerWaalsContact O-CG 3.31Å; N306-K310 WeakPolarHBondContact O-CG 3.41Å; N306-K310 PolarHBondContact O-N 2.96Å |
| 307 | S | 97.7 | Very high | 96.1 | Very high | 75 Ų | 75 | 107.2 Ų | 107.2 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -41.4 | 173.3 | -163.7 | 0 | 0 | 0 | 0 | 111.7 | K303 Q304 M305 K310 Q311 | K303-S307 WeakPolarHBondContact O-CB 3.35Å; K303-S307 PolarHBondContact O-N 3.32Å; Q304-S307 WeakPolarHBondContact O-CB 3.36Å; Q304-S307 PolarHBondContact O-N 2.72Å; M305-S307 VanDerWaalsContact C-N 3.26Å; M305-S307 PolarHBondContact O-N 3.19Å; S307-K310 PolarHBondContact O-N 3.16Å; S307-Q311 PolarHBondContact O-N 2.99Å |
| 308 | G | 97 | Very high | 95.7 | Very high | 38 Ų | 38 | 106 Ų | 106 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q304 M305 K310 Q311 L312 | Q304-G308 PolarHBondContact O-N 2.84Å; Q304-G308 VanDerWaalsContact O-N 3.15Å; M305-G308 PolarHBondContact O-N 3.12Å; M305-G308 VanDerWaalsContact O-N 3.16Å; G308-K310 VanDerWaalsContact C-N 3.33Å; G308-K310 PolarHBondContact O-N 3.35Å; G308-Q311 PolarHBondContact O-N 3.49Å; G308-L312 PolarHBondContact O-N 3.12Å |
| 309 | L | 96.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 106.4 Ų | 106.4 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -38.1 | 175.2 | -67.8 | 174.4 | 0 | 0 | 0 | 112.4 | M305 L312 L313 | M305-L309 WeakPolarHBondContact O-CG 3.27Å; M305-L309 PolarHBondContact O-N 3.4Å; L309-L312 PolarHBondContact O-N 3.4Å; L309-L313 WeakPolarHBondContact O-CG 3.39Å; L309-L313 PolarHBondContact O-N 3.22Å |
| 310 | K | 96.2 | Very high | 95 | Very high | 160 Ų | 160 | 110.5 Ų | 110.5 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.9 | -43.9 | 173.2 | -81.5 | -174.8 | 171.7 | -158 | 0 | 112.4 | N306 S307 G308 L312 L313 D314 | N306-K310 WeakPolarHBondContact O-CB 3.36Å; N306-K310 VanDerWaalsContact O-CG 3.31Å; N306-K310 WeakPolarHBondContact O-CG 3.41Å; N306-K310 PolarHBondContact O-N 2.96Å; S307-K310 PolarHBondContact O-N 3.16Å; G308-K310 VanDerWaalsContact C-N 3.33Å; G308-K310 PolarHBondContact O-N 3.35Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.21Å; K310-L313 CarbonylContact O-C 3.59Å; K310-L313 PolarHBondContact O-N 3.46Å; K310-L313 VanDerWaalsContact O-N 3.1Å; K310-D314 PolarHBondContact O-N 3.21Å |
| 311 | Q | 95.4 | Very high | 94.7 | Very high | 158 Ų | 158 | 112.1 Ų | 112.1 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.6 | -34.2 | 177.6 | -171.3 | 177.3 | 8.4 | 0 | 0 | 112.3 | S307 G308 L313 D314 | S307-Q311 PolarHBondContact O-N 2.99Å; G308-Q311 PolarHBondContact O-N 3.49Å; Q311-L313 VanDerWaalsContact C-N 3.26Å; Q311-L313 PolarHBondContact O-N 3.35Å; Q311-D314 WeakPolarHBondContact O-CB 3.47Å; Q311-D314 PolarHBondContact O-N 3.36Å |
| 312 | L | 93.9 | Very high | 94.2 | Very high | 136 Ų | 136 | 115.3 Ų | 115.3 | 71% | 0.712 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.9 | -23.4 | 174.9 | -174.2 | 61.8 | 0 | 0 | 0 | 113.2 | G308 L309 K310 | G308-L312 PolarHBondContact O-N 3.12Å; L309-L312 PolarHBondContact O-N 3.4Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.21Å |
| 313 | L | 94.4 | Very high | 93.6 | Very high | 128 Ų | 128 | 120.1 Ų | 120.1 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 6.5 | -179.6 | -65.2 | 171.8 | 0 | 0 | 0 | 113.3 | L309 K310 Q311 S315 G316 | L309-L313 WeakPolarHBondContact O-CG 3.39Å; L309-L313 PolarHBondContact O-N 3.22Å; K310-L313 CarbonylContact O-C 3.59Å; K310-L313 PolarHBondContact O-N 3.46Å; K310-L313 VanDerWaalsContact O-N 3.1Å; Q311-L313 VanDerWaalsContact C-N 3.26Å; Q311-L313 PolarHBondContact O-N 3.35Å; L313-S315 VanDerWaalsContact C-N 3.3Å; L313-S315 PolarHBondContact O-N 2.85Å; L313-G316 WeakPolarHBondContact O-CA 3.49Å; L313-G316 PolarHBondContact O-N 2.57Å |
| 314 | D | 91.7 | Very high | 92.8 | Very high | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -27.6 | -173 | -162.8 | 61.5 | 0 | 0 | 0 | 113.2 | K310 Q311 G316 | K310-D314 PolarHBondContact O-N 3.21Å; Q311-D314 WeakPolarHBondContact O-CB 3.47Å; Q311-D314 PolarHBondContact O-N 3.36Å; D314-G316 PolarHBondContact O-N 3.05Å |
| 315 | S | 87.5 | Confident | 91.8 | Very high | 87 Ų | 87 | 119.1 Ų | 119.1 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -14.5 | 170.3 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | L313 | L313-S315 VanDerWaalsContact C-N 3.3Å; L313-S315 PolarHBondContact O-N 2.85Å |
| 316 | G | 91.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 121.1 Ų | 121.1 | 37% | 0.371 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 63.1 | -147.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L313 D314 | L313-G316 WeakPolarHBondContact O-CA 3.49Å; L313-G316 PolarHBondContact O-N 2.57Å; D314-G316 PolarHBondContact O-N 3.05Å |
| 317 | I | 94 | Very high | 90.5 | Very high | 103 Ų | 103 | 122 Ų | 122 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.1 | 14.1 | 177.3 | 62.9 | 169.6 | 0 | 0 | 0 | 113 | E319 Y320 R321 | I317-E319 VanDerWaalsContact C-N 3.34Å; I317-E319 PolarHBondContact O-N 3.3Å; I317-Y320 PolarHBondContact O-N 2.86Å; I317-R321 PolarHBondContact O-N 3.33Å |
| 318 | E | 90.3 | Very high | 90.3 | Very high | 127 Ų | 127 | 127.6 Ų | 127.6 | 59% | 0.593 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -64.5 | -36.6 | -172.2 | -56.4 | -53.3 | 148.4 | 0 | 0 | 112.5 | Y320 R321 | E318-Y320 PolarHBondContact O-N 2.85Å; E318-R321 PolarHBondContact O-N 3.3Å; E318-R321 IonicContact OE1-CZ 2.69Å; E318-R321 IonicContact OE1-NH1 3.44Å; E318-R321 PolarHBondContact OE1-NH1 2.83Å; E318-R321 IonicContact OE2-CZ 3.24Å; E318-R321 IonicContact OE2-NH1 2.61Å; E318-R321 PolarHBondContact OE2-NH1 2.81Å |
| 319 | E | 90.4 | Very high | 90.2 | Very high | 139 Ų | 139 | 130 Ų | 130 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -69.1 | -17.2 | 175.5 | 67.3 | -177.2 | 168.8 | 0 | 0 | 113.7 | I317 | I317-E319 VanDerWaalsContact C-N 3.34Å; I317-E319 PolarHBondContact O-N 3.3Å |
| 320 | Y | 91.7 | Very high | 90 | Very high | 166 Ų | 166 | 128.8 Ų | 128.8 | 65% | 0.651 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -99.4 | -1.9 | 176.9 | -53.6 | -67.1 | 0 | 0 | 0 | 113.1 | I317 E318 L322 | I317-Y320 PolarHBondContact O-N 2.86Å; E318-Y320 PolarHBondContact O-N 2.85Å; Y320-L322 PolarHBondContact O-N 3.46Å |
| 321 | R | 91.3 | Very high | 90 | Very high | 153 Ų | 153 | 124.8 Ų | 124.8 | 58% | 0.577 | 65% | 0.65 | S | S | * | * | trans | -73.4 | 111.8 | 173.9 | -83.2 | -160.8 | 168.1 | 89.7 | 2.1 | 110.7 | I317 E318 | I317-R321 PolarHBondContact O-N 3.33Å; E318-R321 PolarHBondContact O-N 3.3Å; E318-R321 IonicContact OE1-CZ 2.69Å; E318-R321 IonicContact OE1-NH1 3.44Å; E318-R321 PolarHBondContact OE1-NH1 2.83Å; E318-R321 IonicContact OE2-CZ 3.24Å; E318-R321 IonicContact OE2-NH1 2.61Å; E318-R321 PolarHBondContact OE2-NH1 2.81Å | ||
| 322 | L | 89.1 | Confident | 90 | Very high | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 147.2 | 168.7 | -58.1 | 178.5 | 0 | 0 | 0 | 110.7 | Y320 E324 | Y320-L322 PolarHBondContact O-N 3.46Å; L322-E324 PolarHBondContact O-N 3.47Å |
| 323 | T | 84.9 | Confident | 90.1 | Very high | 144 Ų | 144 | 122 Ų | 122 | 88% | 0.883 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126 | 177.4 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | S325 | T323-S325 PolarHBondContact O-N 3.47Š|
| 324 | E | 81.6 | Confident | 90.2 | Very high | 166 Ų | 166 | 118.5 Ų | 118.5 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.8 | 178.6 | -64.4 | -175 | 164.9 | 0 | 0 | 112.5 | L322 N326 | L322-E324 PolarHBondContact O-N 3.47Å; E324-N326 PolarHBondContact O-N 3.16Å; E324-N326 VanDerWaalsContact O-N 3.08Å |
| 325 | S | 78.1 | Confident | 90.5 | Very high | 81 Ų | 81 | 116.3 Ų | 116.3 | 57% | 0.566 | 60% | 0.599 | S | S | * | * | trans | -80.7 | 89 | -175.5 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | T323 Q327 | T323-S325 PolarHBondContact O-N 3.47Å; S325-Q327 PolarHBondContact O-N 3.24Å | ||
| 326 | N | 78.8 | Confident | 90.9 | Very high | 154 Ų | 154 | 117.5 Ų | 117.5 | 82% | 0.824 | 60% | 0.599 | S | S | * | * | trans | -72.3 | 51.8 | 177.1 | -98.9 | -93.7 | 0 | 0 | 0 | 114 | E324 | E324-N326 PolarHBondContact O-N 3.16Å; E324-N326 VanDerWaalsContact O-N 3.08Å | ||
| 327 | Q | 89.1 | Confident | 91.2 | Very high | 110 Ų | 110 | 116.6 Ų | 116.6 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 135.5 | 174 | -63.2 | -162.8 | 29.5 | 0 | 0 | 111.3 | S325 N362 | S325-Q327 PolarHBondContact O-N 3.24Å; Q327-N362 HydrophobicContact CB-CB 4.03Å |
| 328 | K | 92.8 | Very high | 91.3 | Very high | 193 Ų | 193 | 113 Ų | 113 | 84% | 0.839 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.9 | 174.4 | -67.5 | -174.5 | 178.4 | -177.6 | 0 | 110.2 | N330 | K328-N330 PolarHBondContact O-N 2.89Š|
| 329 | V | 94.7 | Very high | 91.6 | Very high | 89 Ų | 89 | 110.4 Ų | 110.4 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 129.1 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | N362 T364 | V329-N362 CarbonylContact C-O 3.57Å; V329-N362 VanDerWaalsContact CA-O 3.31Å; V329-N362 WeakPolarHBondContact CA-O 3.44Å; V329-T364 HydrophobicContact CG1-CG2 3.71Å; V329-T364 HydrophobicContact CG2-CG2 4.05Å |
| 330 | N | 93.9 | Very high | 91.8 | Very high | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | trans | -128 | 117.8 | -177 | -175.1 | -2.2 | 0 | 0 | 0 | 111.3 | K328 R332 N362 K363 | K328-N330 PolarHBondContact O-N 2.89Å; N330-R332 VanDerWaalsContact C-N 3.29Å; N330-R332 PolarHBondContact O-N 3.45Å; N330-R332 WeakPolarHBondContact OD1-CB 3.31Å; N330-R332 PolarHBondContact OD1-N 3.02Å; N330-N362 PolarHBondContact N-O 3.2Å; N330-K363 WeakPolarHBondContact O-CD 3.46Å; N330-K363 VanDerWaalsContact O-CE 3.29Å; N330-K363 WeakPolarHBondContact O-CE 3.38Å; N330-K363 PolarHBondContact O-NZ 3.27Å | ||
| 331 | A | 94.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 99.6 Ų | 99.6 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | trans | -72.6 | -16.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 332 | R | 96.3 | Very high | 92.3 | Very high | 190 Ų | 190 | 93.1 Ų | 93.1 | 72% | 0.717 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -76.1 | 136.2 | 172.6 | -176.3 | 176.6 | -63.5 | -81.5 | -0.9 | 109.3 | N330 E337 K363 | N330-R332 VanDerWaalsContact C-N 3.29Å; N330-R332 PolarHBondContact O-N 3.45Å; N330-R332 WeakPolarHBondContact OD1-CB 3.31Å; N330-R332 PolarHBondContact OD1-N 3.02Å; R332-E337 VanDerWaalsContact O-OE2 3.06Å; R332-K363 WeakPolarHBondContact O-CE 3.38Å; R332-K363 PolarHBondContact O-NZ 2.92Å |
| 333 | W | 96.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 17% | 0.174 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 117 | 170.9 | -72.6 | 91 | 0 | 0 | 0 | 110.2 | E337 Q338 A341 I360 K363 Q367 V368 F371 | W333-E337 VanDerWaalsContact CA-OE2 3.29Å; W333-E337 WeakPolarHBondContact CA-OE2 3.23Å; W333-E337 HydrophobicContact CE3-CB 3.96Å; W333-E337 HydrophobicContact CZ3-CB 4.33Å; W333-Q338 HydrophobicContact CB-CG 4.04Å; W333-Q338 HydrophobicContact CE3-CG 4.13Å; W333-Q338 PolarHBondContact O-NE2 2.93Å; W333-A341 HydrophobicContact CH2-CB 4.39Å; W333-A341 HydrophobicContact CZ3-CB 3.93Å; W333-I360 HydrophobicContact CH2-CD1 3.91Å; W333-I360 HydrophobicContact CZ3-CD1 3.94Å; W333-K363 HydrophobicContact CD2-CD 4.2Å; W333-K363 VanDerWaalsContact CD2-CE 3.49Å; W333-K363 HydrophobicContact CE3-CD 4.37Å; W333-K363 HydrophobicContact CH2-CB 4.29Å; W333-K363 HydrophobicContact CH2-CD 3.9Å; W333-K363 HydrophobicContact CH2-CG 3.67Å; W333-K363 HydrophobicContact CZ2-CD 3.68Å; W333-K363 HydrophobicContact CZ2-CG 3.95Å; W333-K363 HydrophobicContact CZ3-CD 4.22Å; W333-K363 HydrophobicContact CZ3-CG 3.99Å; W333-Q367 HydrophobicContact CZ2-CB 4.39Å; W333-V368 HydrophobicContact CH2-CG2 4.49Å; W333-F371 HydrophobicContact CD2-CD2 4.15Å; W333-F371 HydrophobicContact CE3-CD2 4.18Å; W333-F371 HydrophobicContact CH2-CB 3.94Å; W333-F371 HydrophobicContact CH2-CD2 4.25Å; W333-F371 HydrophobicContact CH2-CG 4.04Å; W333-F371 HydrophobicContact CZ2-CB 3.59Å; W333-F371 HydrophobicContact CZ2-CD2 4.24Å; W333-F371 HydrophobicContact CZ2-CG 4.09Å; W333-F371 HydrophobicContact CZ3-CD2 4.23Å; W333-F371 HydrophobicContact CZ3-CG 4.4Å |
| 334 | T | 96.7 | Very high | 92.6 | Very high | 54 Ų | 54 | 86.4 Ų | 86.4 | 33% | 0.331 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 167.9 | 167.2 | 73.9 | 0 | 0 | 0 | 0 | 110.4 | D336 E337 Q338 | T334-D336 VanDerWaalsContact C-N 3.31Å; T334-D336 PolarHBondContact OG1-N 2.91Å; T334-E337 HydrophobicContact CG2-CG 4.48Å; T334-E337 PolarHBondContact N-OE2 2.87Å; T334-E337 WeakPolarHBondContact OG1-CB 3.25Å; T334-E337 WeakPolarHBondContact OG1-CG 3.44Å; T334-E337 PolarHBondContact OG1-N 3.33Å; T334-E337 VanDerWaalsContact OG1-N 3.1Å; T334-Q338 VanDerWaalsContact O-CG 3.22Å; T334-Q338 WeakPolarHBondContact O-CG 3.24Å; T334-Q338 PolarHBondContact O-N 3.23Å; T334-Q338 PolarHBondContact O-NE2 3.07Å |
| 335 | T | 96.8 | Very high | 93.2 | Very high | 98 Ų | 98 | 78.5 Ų | 78.5 | 60% | 0.601 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 174.3 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | Q338 L339 | T335-Q338 WeakPolarHBondContact O-CB 3.3Å; T335-Q338 PolarHBondContact O-N 2.88Å; T335-Q338 VanDerWaalsContact O-N 3.16Å; T335-L339 HydrophobicContact CG2-CD1 4.38Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.31Å |
| 336 | D | 96.4 | Very high | 93.9 | Very high | 112 Ų | 112 | 74.7 Ų | 74.7 | 60% | 0.599 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.9 | -39.5 | -176.4 | -44.2 | -40.2 | 0 | 0 | 0 | 111.4 | T334 Q338 L339 L340 | T334-D336 VanDerWaalsContact C-N 3.31Å; T334-D336 PolarHBondContact OG1-N 2.91Å; D336-Q338 VanDerWaalsContact C-N 3.29Å; D336-Q338 PolarHBondContact O-N 3.47Å; D336-L339 PolarHBondContact O-N 2.88Å; D336-L340 WeakPolarHBondContact O-CB 3.29Å; D336-L340 WeakPolarHBondContact O-CG 3.35Å; D336-L340 PolarHBondContact O-N 3.34Å |
| 337 | E | 96.6 | Very high | 94.7 | Very high | 16 Ų | 16 | 70.2 Ų | 70.2 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 173.1 | -71 | 167.4 | 170.3 | 0 | 0 | 112.4 | R332 W333 T334 A341 I360 N362 K363 | R332-E337 VanDerWaalsContact O-OE2 3.06Å; W333-E337 VanDerWaalsContact CA-OE2 3.29Å; W333-E337 WeakPolarHBondContact CA-OE2 3.23Å; W333-E337 HydrophobicContact CE3-CB 3.96Å; W333-E337 HydrophobicContact CZ3-CB 4.33Å; T334-E337 HydrophobicContact CG2-CG 4.48Å; T334-E337 PolarHBondContact N-OE2 2.87Å; T334-E337 WeakPolarHBondContact OG1-CB 3.25Å; T334-E337 WeakPolarHBondContact OG1-CG 3.44Å; T334-E337 PolarHBondContact OG1-N 3.33Å; T334-E337 VanDerWaalsContact OG1-N 3.1Å; E337-A341 VanDerWaalsContact O-CB 3.24Å; E337-A341 WeakPolarHBondContact O-CB 3.41Å; E337-A341 PolarHBondContact O-N 3.11Å; E337-I360 HydrophobicContact CB-CG2 4.23Å; E337-I360 HydrophobicContact CG-CG2 4.07Å; E337-N362 PolarHBondContact OE1-ND2 3.03Å; E337-N362 PolarHBondContact OE1-OD1 3.44Å; E337-K363 IonicContact OE1-NZ 3.42Å; E337-K363 PolarHBondContact OE1-NZ 3.27Å; E337-K363 VanDerWaalsContact OE1-NZ 3.12Å; E337-K363 WeakPolarHBondContact OE2-CE 3.47Å; E337-K363 IonicContact OE2-NZ 3.58Å; E337-K363 PolarHBondContact OE2-NZ 3.4Å |
| 338 | Q | 96.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 70.9 Ų | 70.9 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 175.7 | -67 | 166.1 | 69.8 | 0 | 0 | 111.1 | W333 T334 T335 D336 A341 V342 F371 Y375 F379 | W333-Q338 HydrophobicContact CB-CG 4.04Å; W333-Q338 HydrophobicContact CE3-CG 4.13Å; W333-Q338 PolarHBondContact O-NE2 2.93Å; T334-Q338 VanDerWaalsContact O-CG 3.22Å; T334-Q338 WeakPolarHBondContact O-CG 3.24Å; T334-Q338 PolarHBondContact O-N 3.23Å; T334-Q338 PolarHBondContact O-NE2 3.07Å; T335-Q338 WeakPolarHBondContact O-CB 3.3Å; T335-Q338 PolarHBondContact O-N 2.88Å; T335-Q338 VanDerWaalsContact O-N 3.16Å; D336-Q338 VanDerWaalsContact C-N 3.29Å; D336-Q338 PolarHBondContact O-N 3.47Å; Q338-A341 PolarHBondContact O-N 3.49Å; Q338-V342 VanDerWaalsContact O-CG2 3.3Å; Q338-V342 WeakPolarHBondContact O-CG2 3.48Å; Q338-V342 PolarHBondContact O-N 2.75Å; Q338-F371 HydrophobicContact CB-CE2 4.18Å; Q338-F371 HydrophobicContact CB-CZ 4.44Å; Q338-F371 HydrophobicContact CG-CE2 3.89Å; Q338-Y375 HydrophobicContact CG-CE1 4.46Å; Q338-F379 HydrophobicContact CB-CE2 3.95Å; Q338-F379 HydrophobicContact CB-CZ 4.03Å; Q338-F379 HydrophobicContact CG-CE2 4.44Å |
| 339 | L | 96.1 | Very high | 95 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 174.8 | -68.4 | 173.6 | 0 | 0 | 0 | 111.6 | T335 D336 V342 Q343 | T335-L339 HydrophobicContact CG2-CD1 4.38Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.31Å; D336-L339 PolarHBondContact O-N 2.88Å; L339-V342 PolarHBondContact O-N 3.35Å; L339-Q343 WeakPolarHBondContact O-CB 3.4Å; L339-Q343 PolarHBondContact O-N 2.95Å |
| 340 | L | 96.4 | Very high | 94.9 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -58.6 | -47.4 | 171.8 | -75.2 | 171.1 | 0 | 0 | 0 | 111.2 | D336 V342 A344 G345 I360 | D336-L340 WeakPolarHBondContact O-CB 3.29Å; D336-L340 WeakPolarHBondContact O-CG 3.35Å; D336-L340 PolarHBondContact O-N 3.34Å; L340-V342 VanDerWaalsContact C-N 3.28Å; L340-V342 PolarHBondContact O-N 3.32Å; L340-A344 HydrophobicContact CD2-CB 4.08Å; L340-A344 CarbonylContact O-C 3.52Å; L340-A344 WeakPolarHBondContact O-CA 3.3Å; L340-A344 WeakPolarHBondContact O-CB 3.49Å; L340-A344 PolarHBondContact O-N 3.31Å; L340-G345 PolarHBondContact O-N 3.02Å; L340-I360 HydrophobicContact CB-CG1 4.49Å |
| 341 | A | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -58.4 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W333 E337 Q338 G345 V346 I360 F371 | W333-A341 HydrophobicContact CH2-CB 4.39Å; W333-A341 HydrophobicContact CZ3-CB 3.93Å; E337-A341 VanDerWaalsContact O-CB 3.24Å; E337-A341 WeakPolarHBondContact O-CB 3.41Å; E337-A341 PolarHBondContact O-N 3.11Å; Q338-A341 PolarHBondContact O-N 3.49Å; A341-G345 CarbonylContact O-C 3.57Å; A341-G345 VanDerWaalsContact O-CA 3.27Å; A341-G345 WeakPolarHBondContact O-CA 3.47Å; A341-V346 WeakPolarHBondContact O-CG2 3.49Å; A341-V346 PolarHBondContact O-N 3.16Å; A341-I360 HydrophobicContact CB-CD1 3.75Å; A341-I360 HydrophobicContact CB-CG1 4.47Å; A341-F371 HydrophobicContact CB-CD1 4.05Å; A341-F371 HydrophobicContact CB-CE1 3.62Å; A341-F371 HydrophobicContact CB-CZ 3.96Å |
| 342 | V | 95.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -79.3 | -57.9 | 179 | 178.2 | 0 | 0 | 0 | 0 | 112 | Q338 L339 L340 V346 R347 F371 F379 L381 V384 | Q338-V342 VanDerWaalsContact O-CG2 3.3Å; Q338-V342 WeakPolarHBondContact O-CG2 3.48Å; Q338-V342 PolarHBondContact O-N 2.75Å; L339-V342 PolarHBondContact O-N 3.35Å; L340-V342 VanDerWaalsContact C-N 3.28Å; L340-V342 PolarHBondContact O-N 3.32Å; V342-V346 PolarHBondContact O-N 3.32Å; V342-R347 WeakPolarHBondContact O-CB 3.26Å; V342-R347 PolarHBondContact O-N 3.44Å; V342-F371 HydrophobicContact CG2-CE1 4.13Å; V342-F371 HydrophobicContact CG2-CZ 3.93Å; V342-F379 HydrophobicContact CG1-CB 4.47Å; V342-F379 HydrophobicContact CG2-CB 3.79Å; V342-F379 HydrophobicContact CG2-CD2 3.63Å; V342-F379 HydrophobicContact CG2-CE2 4.32Å; V342-F379 HydrophobicContact CG2-CG 3.78Å; V342-L381 HydrophobicContact CG1-CD2 4.48Å; V342-L381 HydrophobicContact CG2-CD2 3.98Å; V342-V384 HydrophobicContact CG1-CG1 4.42Å; V342-V384 HydrophobicContact CG1-CG2 4.41Å |
| 343 | Q | 91.2 | Very high | 95.1 | Very high | 132 Ų | 132 | 55.9 Ų | 55.9 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -85.7 | -43.9 | -165.5 | -61.3 | 178 | -15.5 | 0 | 0 | 112.9 | L339 | L339-Q343 WeakPolarHBondContact O-CB 3.4Å; L339-Q343 PolarHBondContact O-N 2.95Å |
| 344 | A | 90.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -87.4 | -26.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L340 Y349 V359 | L340-A344 HydrophobicContact CD2-CB 4.08Å; L340-A344 CarbonylContact O-C 3.52Å; L340-A344 WeakPolarHBondContact O-CA 3.3Å; L340-A344 WeakPolarHBondContact O-CB 3.49Å; L340-A344 PolarHBondContact O-N 3.31Å; A344-Y349 VanDerWaalsContact O-CD2 3.25Å; A344-Y349 WeakPolarHBondContact O-CD2 3.31Å; A344-Y349 WeakPolarHBondContact O-CE2 3.38Å; A344-V359 HydrophobicContact CB-CG1 3.81Å |
| 345 | G | 93.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -88 | -94.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L340 A341 R347 K348 Y349 | L340-G345 PolarHBondContact O-N 3.02Å; A341-G345 CarbonylContact O-C 3.57Å; A341-G345 VanDerWaalsContact O-CA 3.27Å; A341-G345 WeakPolarHBondContact O-CA 3.47Å; G345-R347 VanDerWaalsContact C-N 3.29Å; G345-R347 PolarHBondContact O-N 3.35Å; G345-K348 PolarHBondContact O-N 2.91Å; G345-Y349 PolarHBondContact O-N 3.49Å |
| 346 | V | 93.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -50.8 | -47.4 | -171.3 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | A341 V342 K348 G350 I356 F372 L381 V384 L385 | A341-V346 WeakPolarHBondContact O-CG2 3.49Å; A341-V346 PolarHBondContact O-N 3.16Å; V342-V346 PolarHBondContact O-N 3.32Å; V346-K348 PolarHBondContact O-N 2.99Å; V346-K348 VanDerWaalsContact O-N 3.13Å; V346-G350 VanDerWaalsContact O-CA 3.24Å; V346-G350 WeakPolarHBondContact O-CA 3.45Å; V346-G350 PolarHBondContact O-N 3.02Å; V346-I356 HydrophobicContact CG2-CD1 4.45Å; V346-F372 HydrophobicContact CB-CZ 4.03Å; V346-F372 HydrophobicContact CG1-CE1 3.84Å; V346-F372 HydrophobicContact CG1-CZ 3.8Å; V346-F372 HydrophobicContact CG2-CE1 3.89Å; V346-F372 HydrophobicContact CG2-CE2 3.64Å; V346-F372 HydrophobicContact CG2-CZ 3.25Å; V346-L381 HydrophobicContact CG2-CD2 4.29Å; V346-V384 HydrophobicContact CB-CG1 4.03Å; V346-V384 HydrophobicContact CG1-CB 4.5Å; V346-V384 HydrophobicContact CG1-CG1 3.9Å; V346-L385 HydrophobicContact CG1-CD2 3.68Å; V346-L385 HydrophobicContact CG1-CG 3.78Å |
| 347 | R | 94.5 | Very high | 95.1 | Very high | 61 Ų | 61 | 46.8 Ų | 46.8 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -14.3 | -174.4 | -170.8 | 50.2 | -178.6 | 78.6 | -5.6 | 114.8 | V342 G345 V384 E387 E391 | V342-R347 WeakPolarHBondContact O-CB 3.26Å; V342-R347 PolarHBondContact O-N 3.44Å; G345-R347 VanDerWaalsContact C-N 3.29Å; G345-R347 PolarHBondContact O-N 3.35Å; R347-V384 HydrophobicContact CB-CG1 3.74Å; R347-V384 HydrophobicContact CG-CG1 4.33Å; R347-E387 IonicContact CZ-OE2 2.68Å; R347-E387 IonicContact NE-OE2 3.21Å; R347-E387 PolarHBondContact NE-OE2 3.03Å; R347-E387 IonicContact NH2-OE2 3.87Å; R347-E387 PolarHBondContact NH2-OE2 3.26Å; R347-E391 IonicContact CZ-OE1 2.68Å; R347-E391 IonicContact CZ-OE2 3.32Å; R347-E391 IonicContact NH1-OE1 2.71Å; R347-E391 PolarHBondContact NH1-OE1 2.95Å; R347-E391 IonicContact NH1-OE2 2.81Å; R347-E391 PolarHBondContact NH1-OE2 3.44Å; R347-E391 IonicContact NH2-OE1 3.19Å; R347-E391 PolarHBondContact NH2-OE1 3.24Å; R347-E391 IonicContact NH2-OE2 2.63Å |
| 348 | K | 93 | Very high | 95 | Very high | 124 Ų | 124 | 50.6 Ų | 50.6 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -115.3 | -31.2 | -179.4 | -176.1 | 178.7 | 174.3 | -160 | 0 | 113.4 | G345 V346 W388 | G345-K348 PolarHBondContact O-N 2.91Å; V346-K348 PolarHBondContact O-N 2.99Å; V346-K348 VanDerWaalsContact O-N 3.13Å; K348-W388 VanDerWaalsContact C-CD1 3.48Å; K348-W388 PolarHBondContact O-NE1 3.12Å |
| 349 | Y | 94.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 26% | 0.263 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -118.7 | 1.5 | -173.9 | -59.9 | -79.7 | 0 | 0 | 0 | 113.7 | A344 G345 K351 N352 A355 V359 | A344-Y349 VanDerWaalsContact O-CD2 3.25Å; A344-Y349 WeakPolarHBondContact O-CD2 3.31Å; A344-Y349 WeakPolarHBondContact O-CE2 3.38Å; G345-Y349 PolarHBondContact O-N 3.49Å; Y349-K351 PolarHBondContact O-N 3.1Å; Y349-N352 VanDerWaalsContact O-CB 3.29Å; Y349-N352 WeakPolarHBondContact O-CB 3.49Å; Y349-N352 PolarHBondContact O-N 3.4Å; Y349-A355 HydrophobicContact CD1-CB 3.61Å; Y349-A355 HydrophobicContact CE1-CB 4.04Å; Y349-A355 HydrophobicContact CG-CB 3.88Å; Y349-V359 HydrophobicContact CE2-CG2 3.81Å |
| 350 | G | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -116.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V346 I356 F372 W388 | V346-G350 VanDerWaalsContact O-CA 3.24Å; V346-G350 WeakPolarHBondContact O-CA 3.45Å; V346-G350 PolarHBondContact O-N 3.02Å; G350-I356 WeakPolarHBondContact O-CD1 3.48Å; G350-F372 WeakPolarHBondContact O-CZ 3.27Å; G350-W388 VanDerWaalsContact CA-CD2 3.44Å |
| 351 | K | 95.1 | Very high | 94.7 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 10.5 | 178.6 | -67.8 | 154 | -174.4 | 156.3 | 0 | 113.1 | Y349 F353 L385 E389 | Y349-K351 PolarHBondContact O-N 3.1Å; K351-F353 VanDerWaalsContact C-N 3.3Å; K351-F353 HydrophobicContact CB-CZ 4.3Å; K351-F353 WeakPolarHBondContact O-CD2 3.31Å; K351-F353 WeakPolarHBondContact O-CE2 3.38Å; K351-F353 WeakPolarHBondContact O-CG 3.4Å; K351-F353 PolarHBondContact O-N 3.27Å; K351-L385 HydrophobicContact CD-CD2 4.33Å; K351-L385 HydrophobicContact CG-CD1 4.39Å; K351-L385 HydrophobicContact CG-CD2 3.79Å; K351-E389 IonicContact NZ-OE1 3.57Å; K351-E389 PolarHBondContact NZ-OE1 3.43Å |
| 352 | N | 96.2 | Very high | 94.7 | Very high | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | trans | -75.6 | 80.7 | 174.4 | -174.8 | -10.6 | 0 | 0 | 0 | 111.2 | Y349 Q354 A355 I356 | Y349-N352 VanDerWaalsContact O-CB 3.29Å; Y349-N352 WeakPolarHBondContact O-CB 3.49Å; Y349-N352 PolarHBondContact O-N 3.4Å; N352-Q354 PolarHBondContact O-N 3.46Å; N352-Q354 VanDerWaalsContact O-N 3.1Å; N352-Q354 PolarHBondContact OD1-N 3.05Å; N352-A355 HydrophobicContact CB-CB 4.37Å; N352-A355 PolarHBondContact O-N 3.42Å; N352-A355 PolarHBondContact OD1-N 3.47Å; N352-A355 VanDerWaalsContact OD1-N 3.16Å; N352-I356 VanDerWaalsContact O-CG1 3.3Å; N352-I356 WeakPolarHBondContact O-CG1 3.35Å; N352-I356 PolarHBondContact O-N 3.19Å; N352-I356 VanDerWaalsContact O-N 3.15Å | ||
| 353 | F | 97.2 | Very high | 94.7 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 23% | 0.228 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -15.9 | -178.6 | -51.5 | -64.2 | 0 | 0 | 0 | 114.8 | K351 A357 V365 V368 K369 F372 | K351-F353 VanDerWaalsContact C-N 3.3Å; K351-F353 HydrophobicContact CB-CZ 4.3Å; K351-F353 WeakPolarHBondContact O-CD2 3.31Å; K351-F353 WeakPolarHBondContact O-CE2 3.38Å; K351-F353 WeakPolarHBondContact O-CG 3.4Å; K351-F353 PolarHBondContact O-N 3.27Å; F353-A357 WeakPolarHBondContact O-CB 3.46Å; F353-A357 PolarHBondContact O-N 3.35Å; F353-V365 HydrophobicContact CB-CG1 3.82Å; F353-V368 HydrophobicContact CB-CG1 4.38Å; F353-V368 HydrophobicContact CD1-CG1 4.02Å; F353-K369 HydrophobicContact CB-CG 4.27Å; F353-K369 HydrophobicContact CD1-CG 4.01Å; F353-K369 HydrophobicContact CD2-CD 4.21Å; F353-K369 HydrophobicContact CD2-CG 3.77Å; F353-K369 HydrophobicContact CE1-CG 4.26Å; F353-K369 HydrophobicContact CE2-CG 4.03Å; F353-K369 HydrophobicContact CG-CG 3.74Å; F353-K369 HydrophobicContact CZ-CG 4.27Å; F353-F372 AromaticContact CD1-CD2 4Å; F353-F372 HydrophobicContact CD1-CD2 4Å; F353-F372 AromaticContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CZ 4.3Å; F353-F372 HydrophobicContact CE1-CD1 4.14Å; F353-F372 AromaticContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CE1 4.15Å; F353-F372 AromaticContact CE1-CE2 3.66Å; F353-F372 HydrophobicContact CE1-CE2 3.66Å; F353-F372 AromaticContact CE1-CG 3.89Å; F353-F372 HydrophobicContact CE1-CG 3.89Å; F353-F372 AromaticContact CE1-CZ 3.89Å; F353-F372 HydrophobicContact CE1-CZ 3.89Å |
| 354 | Q | 97.1 | Very high | 95 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -77.1 | -57.8 | 173.5 | -174.9 | 63.1 | 59.5 | 0 | 0 | 109.9 | N352 I356 A357 D358 V365 | N352-Q354 PolarHBondContact O-N 3.46Å; N352-Q354 VanDerWaalsContact O-N 3.1Å; N352-Q354 PolarHBondContact OD1-N 3.05Å; Q354-I356 PolarHBondContact O-N 3.35Å; Q354-I356 VanDerWaalsContact O-N 3.12Å; Q354-A357 WeakPolarHBondContact O-CA 3.47Å; Q354-A357 VanDerWaalsContact O-CB 3.32Å; Q354-A357 WeakPolarHBondContact O-CB 3.33Å; Q354-A357 PolarHBondContact O-N 2.89Å; Q354-D358 PolarHBondContact NE2-OD1 3.03Å; Q354-D358 PolarHBondContact O-N 2.8Å; Q354-D358 VanDerWaalsContact O-OD2 3.08Å; Q354-V365 HydrophobicContact CB-CG2 4.46Å |
| 355 | A | 96.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.2 | -34.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y349 N352 D358 V359 | Y349-A355 HydrophobicContact CD1-CB 3.61Å; Y349-A355 HydrophobicContact CE1-CB 4.04Å; Y349-A355 HydrophobicContact CG-CB 3.88Å; N352-A355 HydrophobicContact CB-CB 4.37Å; N352-A355 PolarHBondContact O-N 3.42Å; N352-A355 PolarHBondContact OD1-N 3.47Å; N352-A355 VanDerWaalsContact OD1-N 3.16Å; A355-D358 PolarHBondContact O-N 3.12Å; A355-V359 WeakPolarHBondContact O-CB 3.19Å; A355-V359 WeakPolarHBondContact O-CG2 3.38Å; A355-V359 PolarHBondContact O-N 2.83Å |
| 356 | I | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -39.9 | 174.3 | -60.7 | 170.3 | 0 | 0 | 0 | 111.6 | V346 G350 N352 Q354 I360 V368 F372 | V346-I356 HydrophobicContact CG2-CD1 4.45Å; G350-I356 WeakPolarHBondContact O-CD1 3.48Å; N352-I356 VanDerWaalsContact O-CG1 3.3Å; N352-I356 WeakPolarHBondContact O-CG1 3.35Å; N352-I356 PolarHBondContact O-N 3.19Å; N352-I356 VanDerWaalsContact O-N 3.15Å; Q354-I356 PolarHBondContact O-N 3.35Å; Q354-I356 VanDerWaalsContact O-N 3.12Å; I356-I360 HydrophobicContact CG2-CD1 3.95Å; I356-I360 VanDerWaalsContact O-CD1 3.23Å; I356-I360 WeakPolarHBondContact O-CD1 3.22Å; I356-I360 VanDerWaalsContact O-CG1 3.23Å; I356-I360 WeakPolarHBondContact O-CG1 3.48Å; I356-I360 PolarHBondContact O-N 3.08Å; I356-V368 HydrophobicContact CB-CG1 4.01Å; I356-V368 HydrophobicContact CG2-CG1 3.55Å; I356-V368 HydrophobicContact CG2-CG2 4.29Å; I356-F372 HydrophobicContact CD1-CE2 3.87Å; I356-F372 HydrophobicContact CD1-CZ 3.88Å |
| 357 | A | 95.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F353 Q354 V359 I360 G361 K363 V365 V368 | F353-A357 WeakPolarHBondContact O-CB 3.46Å; F353-A357 PolarHBondContact O-N 3.35Å; Q354-A357 WeakPolarHBondContact O-CA 3.47Å; Q354-A357 VanDerWaalsContact O-CB 3.32Å; Q354-A357 WeakPolarHBondContact O-CB 3.33Å; Q354-A357 PolarHBondContact O-N 2.89Å; A357-V359 PolarHBondContact O-N 2.9Å; A357-I360 PolarHBondContact O-N 3.29Å; A357-G361 PolarHBondContact O-N 2.88Å; A357-K363 WeakPolarHBondContact CB-O 3.38Å; A357-V365 HydrophobicContact CB-CG2 4.33Å; A357-V368 HydrophobicContact CB-CG2 3.97Å |
| 358 | D | 94.6 | Very high | 95.9 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | -179.8 | -53.1 | -31.7 | 0 | 0 | 0 | 111.7 | Q354 A355 I360 G361 | Q354-D358 PolarHBondContact NE2-OD1 3.03Å; Q354-D358 PolarHBondContact O-N 2.8Å; Q354-D358 VanDerWaalsContact O-OD2 3.08Å; A355-D358 PolarHBondContact O-N 3.12Å; D358-I360 VanDerWaalsContact C-N 3.32Å; D358-I360 PolarHBondContact O-N 2.88Å; D358-G361 PolarHBondContact O-N 2.93Å |
| 359 | V | 94.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.9 | -31.3 | 175.3 | 163.9 | 0 | 0 | 0 | 0 | 112.9 | A344 Y349 A355 A357 | A344-V359 HydrophobicContact CB-CG1 3.81Å; Y349-V359 HydrophobicContact CE2-CG2 3.81Å; A355-V359 WeakPolarHBondContact O-CB 3.19Å; A355-V359 WeakPolarHBondContact O-CG2 3.38Å; A355-V359 PolarHBondContact O-N 2.83Å; A357-V359 PolarHBondContact O-N 2.9Å |
| 360 | I | 95.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -84.5 | -23.5 | 174.9 | -55.7 | 156.7 | 0 | 0 | 0 | 110.9 | W333 E337 L340 A341 I356 A357 D358 N362 K363 V368 | W333-I360 HydrophobicContact CH2-CD1 3.91Å; W333-I360 HydrophobicContact CZ3-CD1 3.94Å; E337-I360 HydrophobicContact CB-CG2 4.23Å; E337-I360 HydrophobicContact CG-CG2 4.07Å; L340-I360 HydrophobicContact CB-CG1 4.49Å; A341-I360 HydrophobicContact CB-CD1 3.75Å; A341-I360 HydrophobicContact CB-CG1 4.47Å; I356-I360 HydrophobicContact CG2-CD1 3.95Å; I356-I360 VanDerWaalsContact O-CD1 3.23Å; I356-I360 WeakPolarHBondContact O-CD1 3.22Å; I356-I360 VanDerWaalsContact O-CG1 3.23Å; I356-I360 WeakPolarHBondContact O-CG1 3.48Å; I356-I360 PolarHBondContact O-N 3.08Å; A357-I360 PolarHBondContact O-N 3.29Å; D358-I360 VanDerWaalsContact C-N 3.32Å; D358-I360 PolarHBondContact O-N 2.88Å; I360-N362 PolarHBondContact O-N 3.3Å; I360-K363 HydrophobicContact CB-CB 4.46Å; I360-K363 HydrophobicContact CB-CG 4.25Å; I360-K363 HydrophobicContact CD1-CB 4.48Å; I360-K363 HydrophobicContact CD1-CG 4.37Å; I360-K363 HydrophobicContact CG2-CB 4.24Å; I360-K363 HydrophobicContact CG2-CG 3.53Å; I360-V368 HydrophobicContact CD1-CG2 4.18Å |
| 361 | G | 94.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 45 Ų | 45 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 71.1 | -23.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | A357 D358 | A357-G361 PolarHBondContact O-N 2.88Å; D358-G361 PolarHBondContact O-N 2.93Å |
| 362 | N | 95.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -125.3 | 13.5 | -175.3 | 75.9 | 23.6 | 0 | 0 | 0 | 114.7 | Q327 V329 N330 E337 I360 | Q327-N362 HydrophobicContact CB-CB 4.03Å; V329-N362 CarbonylContact C-O 3.57Å; V329-N362 VanDerWaalsContact CA-O 3.31Å; V329-N362 WeakPolarHBondContact CA-O 3.44Å; N330-N362 PolarHBondContact N-O 3.2Å; E337-N362 PolarHBondContact OE1-ND2 3.03Å; E337-N362 PolarHBondContact OE1-OD1 3.44Å; I360-N362 PolarHBondContact O-N 3.3Å |
| 363 | K | 96.7 | Very high | 96.3 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | trans | -118.1 | 145.1 | 178.1 | -63.1 | -68.5 | 179.9 | -84.4 | 0 | 110.4 | N330 R332 W333 E337 A357 I360 Q367 V368 | N330-K363 WeakPolarHBondContact O-CD 3.46Å; N330-K363 VanDerWaalsContact O-CE 3.29Å; N330-K363 WeakPolarHBondContact O-CE 3.38Å; N330-K363 PolarHBondContact O-NZ 3.27Å; R332-K363 WeakPolarHBondContact O-CE 3.38Å; R332-K363 PolarHBondContact O-NZ 2.92Å; W333-K363 HydrophobicContact CD2-CD 4.2Å; W333-K363 VanDerWaalsContact CD2-CE 3.49Å; W333-K363 HydrophobicContact CE3-CD 4.37Å; W333-K363 HydrophobicContact CH2-CB 4.29Å; W333-K363 HydrophobicContact CH2-CD 3.9Å; W333-K363 HydrophobicContact CH2-CG 3.67Å; W333-K363 HydrophobicContact CZ2-CD 3.68Å; W333-K363 HydrophobicContact CZ2-CG 3.95Å; W333-K363 HydrophobicContact CZ3-CD 4.22Å; W333-K363 HydrophobicContact CZ3-CG 3.99Å; E337-K363 IonicContact OE1-NZ 3.42Å; E337-K363 PolarHBondContact OE1-NZ 3.27Å; E337-K363 VanDerWaalsContact OE1-NZ 3.12Å; E337-K363 WeakPolarHBondContact OE2-CE 3.47Å; E337-K363 IonicContact OE2-NZ 3.58Å; E337-K363 PolarHBondContact OE2-NZ 3.4Å; A357-K363 WeakPolarHBondContact CB-O 3.38Å; I360-K363 HydrophobicContact CB-CB 4.46Å; I360-K363 HydrophobicContact CB-CG 4.25Å; I360-K363 HydrophobicContact CD1-CB 4.48Å; I360-K363 HydrophobicContact CD1-CG 4.37Å; I360-K363 HydrophobicContact CG2-CB 4.24Å; I360-K363 HydrophobicContact CG2-CG 3.53Å; K363-Q367 HydrophobicContact CB-CB 4.47Å; K363-Q367 HydrophobicContact CD-CB 4.42Å; K363-V368 HydrophobicContact CB-CG2 4.21Å | ||
| 364 | T | 96.8 | Very high | 96.2 | Very high | 59 Ų | 59 | 45 Ų | 45 | 36% | 0.362 | 25% | 0.254 | S | S | . | . | trans | -85.3 | 157.3 | 171.7 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | V329 G366 Q367 V368 | V329-T364 HydrophobicContact CG1-CG2 3.71Å; V329-T364 HydrophobicContact CG2-CG2 4.05Å; T364-G366 PolarHBondContact O-N 3.47Å; T364-G366 VanDerWaalsContact O-N 3.11Å; T364-G366 PolarHBondContact OG1-N 3Å; T364-Q367 WeakPolarHBondContact O-CA 3.17Å; T364-Q367 WeakPolarHBondContact O-CB 3.41Å; T364-Q367 PolarHBondContact O-N 2.81Å; T364-Q367 PolarHBondContact OG1-N 3.23Å; T364-V368 PolarHBondContact O-N 3.12Å | ||
| 365 | V | 97.4 | Very high | 96.1 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -48.7 | -38 | 170 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | F353 Q354 A357 V368 K369 | F353-V365 HydrophobicContact CB-CG1 3.82Å; Q354-V365 HydrophobicContact CB-CG2 4.46Å; A357-V365 HydrophobicContact CB-CG2 4.33Å; V365-V368 PolarHBondContact O-N 3.35Å; V365-K369 HydrophobicContact CG1-CD 4.38Å; V365-K369 WeakPolarHBondContact O-CG 3.4Å; V365-K369 PolarHBondContact O-N 2.94Å |
| 366 | G | 97.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T364 N370 | T364-G366 PolarHBondContact O-N 3.47Å; T364-G366 VanDerWaalsContact O-N 3.11Å; T364-G366 PolarHBondContact OG1-N 3Å; G366-N370 PolarHBondContact O-N 3.16Å; G366-N370 PolarHBondContact O-ND2 3.38Å |
| 367 | Q | 97.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 174.4 | -71 | 165 | -19.2 | 0 | 0 | 111.6 | W333 K363 T364 N370 F371 | W333-Q367 HydrophobicContact CZ2-CB 4.39Å; K363-Q367 HydrophobicContact CB-CB 4.47Å; K363-Q367 HydrophobicContact CD-CB 4.42Å; T364-Q367 WeakPolarHBondContact O-CA 3.17Å; T364-Q367 WeakPolarHBondContact O-CB 3.41Å; T364-Q367 PolarHBondContact O-N 2.81Å; T364-Q367 PolarHBondContact OG1-N 3.23Å; Q367-N370 PolarHBondContact O-N 3.08Å; Q367-F371 PolarHBondContact O-N 3.45Å |
| 368 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | W333 F353 I356 A357 I360 K363 T364 V365 N370 F371 F372 | W333-V368 HydrophobicContact CH2-CG2 4.49Å; F353-V368 HydrophobicContact CB-CG1 4.38Å; F353-V368 HydrophobicContact CD1-CG1 4.02Å; I356-V368 HydrophobicContact CB-CG1 4.01Å; I356-V368 HydrophobicContact CG2-CG1 3.55Å; I356-V368 HydrophobicContact CG2-CG2 4.29Å; A357-V368 HydrophobicContact CB-CG2 3.97Å; I360-V368 HydrophobicContact CD1-CG2 4.18Å; K363-V368 HydrophobicContact CB-CG2 4.21Å; T364-V368 PolarHBondContact O-N 3.12Å; V365-V368 PolarHBondContact O-N 3.35Å; V368-N370 VanDerWaalsContact C-N 3.28Å; V368-N370 PolarHBondContact O-N 2.86Å; V368-F371 WeakPolarHBondContact O-CA 3.29Å; V368-F371 WeakPolarHBondContact O-CB 3.37Å; V368-F371 PolarHBondContact O-N 2.98Å; V368-F372 HydrophobicContact CG1-CD2 4.12Å; V368-F372 HydrophobicContact CG1-CE2 3.98Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 2.96Å |
| 369 | K | 97.1 | Very high | 95.8 | Very high | 107 Ų | 107 | 63.3 Ų | 63.3 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.9 | -42 | 173.6 | -75.2 | 175.2 | 178.3 | -178.3 | 0 | 112.2 | F353 V365 F372 V373 | F353-K369 HydrophobicContact CB-CG 4.27Å; F353-K369 HydrophobicContact CD1-CG 4.01Å; F353-K369 HydrophobicContact CD2-CD 4.21Å; F353-K369 HydrophobicContact CD2-CG 3.77Å; F353-K369 HydrophobicContact CE1-CG 4.26Å; F353-K369 HydrophobicContact CE2-CG 4.03Å; F353-K369 HydrophobicContact CG-CG 3.74Å; F353-K369 HydrophobicContact CZ-CG 4.27Å; V365-K369 HydrophobicContact CG1-CD 4.38Å; V365-K369 WeakPolarHBondContact O-CG 3.4Å; V365-K369 PolarHBondContact O-N 2.94Å; K369-F372 PolarHBondContact O-N 3.44Å; K369-V373 PolarHBondContact O-N 2.92Å |
| 370 | N | 97.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 65 Ų | 65 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 174.3 | -82.5 | -73.9 | 0 | 0 | 0 | 112.9 | G366 Q367 V368 V373 N374 | G366-N370 PolarHBondContact O-N 3.16Å; G366-N370 PolarHBondContact O-ND2 3.38Å; Q367-N370 PolarHBondContact O-N 3.08Å; V368-N370 VanDerWaalsContact C-N 3.28Å; V368-N370 PolarHBondContact O-N 2.86Å; N370-V373 PolarHBondContact O-N 3.42Å; N370-N374 WeakPolarHBondContact O-CB 3.29Å; N370-N374 PolarHBondContact O-N 3.05Å; N370-N374 PolarHBondContact O-ND2 2.82Å |
| 371 | F | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 174 | 173.4 | -97.8 | 0 | 0 | 0 | 111.4 | W333 Q338 A341 V342 Q367 V368 V373 N374 Y375 F379 L381 | W333-F371 HydrophobicContact CD2-CD2 4.15Å; W333-F371 HydrophobicContact CE3-CD2 4.18Å; W333-F371 HydrophobicContact CH2-CB 3.94Å; W333-F371 HydrophobicContact CH2-CD2 4.25Å; W333-F371 HydrophobicContact CH2-CG 4.04Å; W333-F371 HydrophobicContact CZ2-CB 3.59Å; W333-F371 HydrophobicContact CZ2-CD2 4.24Å; W333-F371 HydrophobicContact CZ2-CG 4.09Å; W333-F371 HydrophobicContact CZ3-CD2 4.23Å; W333-F371 HydrophobicContact CZ3-CG 4.4Å; Q338-F371 HydrophobicContact CB-CE2 4.18Å; Q338-F371 HydrophobicContact CB-CZ 4.44Å; Q338-F371 HydrophobicContact CG-CE2 3.89Å; A341-F371 HydrophobicContact CB-CD1 4.05Å; A341-F371 HydrophobicContact CB-CE1 3.62Å; A341-F371 HydrophobicContact CB-CZ 3.96Å; V342-F371 HydrophobicContact CG2-CE1 4.13Å; V342-F371 HydrophobicContact CG2-CZ 3.93Å; Q367-F371 PolarHBondContact O-N 3.45Å; V368-F371 WeakPolarHBondContact O-CA 3.29Å; V368-F371 WeakPolarHBondContact O-CB 3.37Å; V368-F371 PolarHBondContact O-N 2.98Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.45Å; F371-N374 PolarHBondContact O-N 3.37Å; F371-Y375 HydrophobicContact CD2-CD1 4.35Å; F371-Y375 AromaticContact CD2-CD2 3.26Å; F371-Y375 HydrophobicContact CD2-CD2 3.26Å; F371-Y375 AromaticContact CD2-CE2 3.58Å; F371-Y375 HydrophobicContact CD2-CE2 3.58Å; F371-Y375 AromaticContact CD2-CG 3.68Å; F371-Y375 HydrophobicContact CD2-CG 3.68Å; F371-Y375 AromaticContact CE2-CD1 3.76Å; F371-Y375 HydrophobicContact CE2-CD1 3.76Å; F371-Y375 AromaticContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CE1 4.1Å; F371-Y375 AromaticContact CE2-CE2 3.92Å; F371-Y375 HydrophobicContact CE2-CE2 3.92Å; F371-Y375 AromaticContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CE2-CG 3.43Å; F371-Y375 VanDerWaalsContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CG-CD2 4.08Å; F371-Y375 HydrophobicContact CZ-CD1 4.49Å; F371-Y375 HydrophobicContact CZ-CG 4.14Å; F371-Y375 WeakPolarHBondContact O-CB 3.45Å; F371-Y375 WeakPolarHBondContact O-CD2 3.45Å; F371-Y375 PolarHBondContact O-N 3.15Å; F371-F379 HydrophobicContact CE2-CD2 4.2Å; F371-F379 AromaticContact CE2-CE2 3.89Å; F371-F379 HydrophobicContact CE2-CE2 3.89Å; F371-F379 AromaticContact CZ-CD2 3.68Å; F371-F379 HydrophobicContact CZ-CD2 3.68Å; F371-F379 AromaticContact CZ-CE2 3.74Å; F371-F379 HydrophobicContact CZ-CE2 3.74Å; F371-L381 HydrophobicContact CE1-CD1 4.41Å |
| 372 | F | 96 | Very high | 95.8 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.4 | -43.1 | 176.7 | -90.8 | -106.6 | 0 | 0 | 0 | 112.8 | V346 G350 F353 I356 V368 K369 R376 L381 L385 | V346-F372 HydrophobicContact CB-CZ 4.03Å; V346-F372 HydrophobicContact CG1-CE1 3.84Å; V346-F372 HydrophobicContact CG1-CZ 3.8Å; V346-F372 HydrophobicContact CG2-CE1 3.89Å; V346-F372 HydrophobicContact CG2-CE2 3.64Å; V346-F372 HydrophobicContact CG2-CZ 3.25Å; G350-F372 WeakPolarHBondContact O-CZ 3.27Å; F353-F372 AromaticContact CD1-CD2 4Å; F353-F372 HydrophobicContact CD1-CD2 4Å; F353-F372 AromaticContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CZ 4.3Å; F353-F372 HydrophobicContact CE1-CD1 4.14Å; F353-F372 AromaticContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CE1 4.15Å; F353-F372 AromaticContact CE1-CE2 3.66Å; F353-F372 HydrophobicContact CE1-CE2 3.66Å; F353-F372 AromaticContact CE1-CG 3.89Å; F353-F372 HydrophobicContact CE1-CG 3.89Å; F353-F372 AromaticContact CE1-CZ 3.89Å; F353-F372 HydrophobicContact CE1-CZ 3.89Å; I356-F372 HydrophobicContact CD1-CE2 3.87Å; I356-F372 HydrophobicContact CD1-CZ 3.88Å; V368-F372 HydrophobicContact CG1-CD2 4.12Å; V368-F372 HydrophobicContact CG1-CE2 3.98Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 2.96Å; K369-F372 PolarHBondContact O-N 3.44Å; F372-R376 WeakPolarHBondContact O-CA 3.4Å; F372-R376 WeakPolarHBondContact O-CB 3.45Å; F372-R376 PolarHBondContact O-N 3.41Å; F372-R376 VanDerWaalsContact O-N 3.15Å; F372-L381 HydrophobicContact CD1-CD1 4.35Å; F372-L381 HydrophobicContact CG-CD1 4.38Å; F372-L385 HydrophobicContact CE1-CD1 4.12Å; F372-L385 HydrophobicContact CE1-CD2 4.32Å; F372-L385 HydrophobicContact CE1-CG 4.44Å |
| 373 | V | 95.6 | Very high | 95.8 | Very high | 112 Ų | 112 | 72 Ų | 72 | 68% | 0.679 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.8 | -52.6 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | K369 N370 F371 Y375 | K369-V373 PolarHBondContact O-N 2.92Å; N370-V373 PolarHBondContact O-N 3.42Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.45Å; V373-Y375 VanDerWaalsContact C-N 3.26Å; V373-Y375 PolarHBondContact O-N 2.89Å |
| 374 | N | 95.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 72.5 Ų | 72.5 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.8 | -15.5 | -172.8 | -73.4 | -70 | 0 | 0 | 0 | 114.4 | N370 F371 R378 | N370-N374 WeakPolarHBondContact O-CB 3.29Å; N370-N374 PolarHBondContact O-N 3.05Å; N370-N374 PolarHBondContact O-ND2 2.82Å; F371-N374 PolarHBondContact O-N 3.37Å; N374-R378 PolarHBondContact O-NE 3.18Å; N374-R378 PolarHBondContact O-NH2 3.05Å |
| 375 | Y | 94.4 | Very high | 95.5 | Very high | 33 Ų | 33 | 70 Ų | 70 | 13% | 0.129 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -120.8 | 0.7 | -177.5 | -68.4 | -101.3 | 0 | 0 | 0 | 114.1 | Q338 F371 V373 R377 R378 F379 | Q338-Y375 HydrophobicContact CG-CE1 4.46Å; F371-Y375 HydrophobicContact CD2-CD1 4.35Å; F371-Y375 AromaticContact CD2-CD2 3.26Å; F371-Y375 HydrophobicContact CD2-CD2 3.26Å; F371-Y375 AromaticContact CD2-CE2 3.58Å; F371-Y375 HydrophobicContact CD2-CE2 3.58Å; F371-Y375 AromaticContact CD2-CG 3.68Å; F371-Y375 HydrophobicContact CD2-CG 3.68Å; F371-Y375 AromaticContact CE2-CD1 3.76Å; F371-Y375 HydrophobicContact CE2-CD1 3.76Å; F371-Y375 AromaticContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CE1 4.1Å; F371-Y375 AromaticContact CE2-CE2 3.92Å; F371-Y375 HydrophobicContact CE2-CE2 3.92Å; F371-Y375 AromaticContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CE2-CG 3.43Å; F371-Y375 VanDerWaalsContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CG-CD2 4.08Å; F371-Y375 HydrophobicContact CZ-CD1 4.49Å; F371-Y375 HydrophobicContact CZ-CG 4.14Å; F371-Y375 WeakPolarHBondContact O-CB 3.45Å; F371-Y375 WeakPolarHBondContact O-CD2 3.45Å; F371-Y375 PolarHBondContact O-N 3.15Å; V373-Y375 VanDerWaalsContact C-N 3.26Å; V373-Y375 PolarHBondContact O-N 2.89Å; Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3.4Å; Y375-R377 VanDerWaalsContact O-N 3.09Å; Y375-R378 HydrophobicContact CD1-CB 4.49Å; Y375-R378 VanDerWaalsContact CZ-NH2 3.32Å; Y375-R378 PolarHBondContact O-N 3.36Å; Y375-F379 AromaticContact CD1-CD2 3.81Å; Y375-F379 HydrophobicContact CD1-CD2 3.81Å; Y375-F379 AromaticContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CZ 4.15Å; Y375-F379 AromaticContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CZ 4.47Å; Y375-F379 HydrophobicContact CG-CD2 4.24Å; Y375-F379 HydrophobicContact CG-CE2 4.11Å; Y375-F379 PolarHBondContact O-N 3.21Å |
| 376 | R | 93.2 | Very high | 95.4 | Very high | 116 Ų | 116 | 74.5 Ų | 74.5 | 44% | 0.438 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.7 | -52.5 | -179.4 | -174.9 | 170 | 173.7 | 76 | -4.1 | 114.5 | F372 L381 E382 | F372-R376 WeakPolarHBondContact O-CA 3.4Å; F372-R376 WeakPolarHBondContact O-CB 3.45Å; F372-R376 PolarHBondContact O-N 3.41Å; F372-R376 VanDerWaalsContact O-N 3.15Å; R376-L381 PolarHBondContact O-N 2.94Å; R376-E382 IonicContact CZ-OE1 3.55Å; R376-E382 IonicContact CZ-OE2 2.65Å; R376-E382 VanDerWaalsContact NH1-CD 3.32Å; R376-E382 IonicContact NH1-OE1 3.72Å; R376-E382 IonicContact NH1-OE2 3.11Å; R376-E382 PolarHBondContact NH1-OE2 2.94Å; R376-E382 IonicContact NH2-OE1 3.28Å; R376-E382 PolarHBondContact NH2-OE1 2.89Å; R376-E382 IonicContact NH2-OE2 2.65Å; R376-E382 PolarHBondContact NH2-OE2 2.89Å |
| 377 | R | 95.4 | Very high | 95.1 | Very high | 238 Ų | 238 | 77.3 Ų | 77.3 | 90% | 0.898 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.2 | -179.4 | -63.1 | -173.7 | -175.5 | 132.6 | -2 | 115 | Y375 | Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3.4Å; Y375-R377 VanDerWaalsContact O-N 3.09Å |
| 378 | R | 93 | Very high | 95 | Very high | 149 Ų | 149 | 78.1 Ų | 78.1 | 56% | 0.562 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -24.4 | -176 | -75.9 | -171.1 | -75.2 | 160.4 | -4.3 | 113.4 | N374 Y375 | N374-R378 PolarHBondContact O-NE 3.18Å; N374-R378 PolarHBondContact O-NH2 3.05Å; Y375-R378 HydrophobicContact CD1-CB 4.49Å; Y375-R378 VanDerWaalsContact CZ-NH2 3.32Å; Y375-R378 PolarHBondContact O-N 3.36Å |
| 379 | F | 94.9 | Very high | 94.7 | Very high | 64 Ų | 64 | 82.4 Ų | 82.4 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 26.7 | 177 | -60 | -50 | 0 | 0 | 0 | 112.1 | Q338 V342 F371 Y375 L381 | Q338-F379 HydrophobicContact CB-CE2 3.95Å; Q338-F379 HydrophobicContact CB-CZ 4.03Å; Q338-F379 HydrophobicContact CG-CE2 4.44Å; V342-F379 HydrophobicContact CG1-CB 4.47Å; V342-F379 HydrophobicContact CG2-CB 3.79Å; V342-F379 HydrophobicContact CG2-CD2 3.63Å; V342-F379 HydrophobicContact CG2-CE2 4.32Å; V342-F379 HydrophobicContact CG2-CG 3.78Å; F371-F379 HydrophobicContact CE2-CD2 4.2Å; F371-F379 AromaticContact CE2-CE2 3.89Å; F371-F379 HydrophobicContact CE2-CE2 3.89Å; F371-F379 AromaticContact CZ-CD2 3.68Å; F371-F379 HydrophobicContact CZ-CD2 3.68Å; F371-F379 AromaticContact CZ-CE2 3.74Å; F371-F379 HydrophobicContact CZ-CE2 3.74Å; Y375-F379 AromaticContact CD1-CD2 3.81Å; Y375-F379 HydrophobicContact CD1-CD2 3.81Å; Y375-F379 AromaticContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CZ 4.15Å; Y375-F379 AromaticContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CZ 4.47Å; Y375-F379 HydrophobicContact CG-CD2 4.24Å; Y375-F379 HydrophobicContact CG-CE2 4.11Å; Y375-F379 PolarHBondContact O-N 3.21Å; F379-L381 HydrophobicContact CB-CD2 3.8Å; F379-L381 HydrophobicContact CB-CG 4.29Å; F379-L381 PolarHBondContact O-N 3.27Å |
| 380 | N | 94.8 | Very high | 94.5 | Very high | 88 Ų | 88 | 80.2 Ų | 80.2 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.3 | 47 | -178.7 | -68.3 | 27.8 | 0 | 0 | 0 | 113.9 | E382 E383 V384 | N380-E382 PolarHBondContact O-N 2.91Å; N380-E383 HydrophobicContact CB-CB 4.09Å; N380-E383 WeakPolarHBondContact CB-OE2 3.49Å; N380-E383 PolarHBondContact ND2-OE2 3.05Å; N380-E383 WeakPolarHBondContact O-CB 3.47Å; N380-E383 PolarHBondContact O-N 3.27Å; N380-V384 PolarHBondContact O-N 3.42Å; N380-V384 VanDerWaalsContact O-N 3.17Å |
| 381 | L | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.5 | -18.6 | -165.9 | -62.9 | -177 | 0 | 0 | 0 | 114 | V342 V346 F371 F372 R376 F379 L385 | V342-L381 HydrophobicContact CG1-CD2 4.48Å; V342-L381 HydrophobicContact CG2-CD2 3.98Å; V346-L381 HydrophobicContact CG2-CD2 4.29Å; F371-L381 HydrophobicContact CE1-CD1 4.41Å; F372-L381 HydrophobicContact CD1-CD1 4.35Å; F372-L381 HydrophobicContact CG-CD1 4.38Å; R376-L381 PolarHBondContact O-N 2.94Å; F379-L381 HydrophobicContact CB-CD2 3.8Å; F379-L381 HydrophobicContact CB-CG 4.29Å; F379-L381 PolarHBondContact O-N 3.27Å; L381-L385 VanDerWaalsContact O-CB 3.31Å; L381-L385 WeakPolarHBondContact O-CB 3.41Å; L381-L385 WeakPolarHBondContact O-CD1 3.29Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.14Å; L381-L385 VanDerWaalsContact O-N 3.11Å |
| 382 | E | 94.3 | Very high | 93.3 | Very high | 93 Ų | 93 | 84.6 Ų | 84.6 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.1 | -40.1 | 172.6 | -160.1 | 80 | 131.7 | 0 | 0 | 112.7 | R376 N380 L385 Q386 | R376-E382 IonicContact CZ-OE1 3.55Å; R376-E382 IonicContact CZ-OE2 2.65Å; R376-E382 VanDerWaalsContact NH1-CD 3.32Å; R376-E382 IonicContact NH1-OE1 3.72Å; R376-E382 IonicContact NH1-OE2 3.11Å; R376-E382 PolarHBondContact NH1-OE2 2.94Å; R376-E382 IonicContact NH2-OE1 3.28Å; R376-E382 PolarHBondContact NH2-OE1 2.89Å; R376-E382 IonicContact NH2-OE2 2.65Å; R376-E382 PolarHBondContact NH2-OE2 2.89Å; N380-E382 PolarHBondContact O-N 2.91Å; E382-L385 WeakPolarHBondContact O-CB 3.17Å; E382-L385 PolarHBondContact O-N 2.99Å; E382-Q386 WeakPolarHBondContact O-CB 3.36Å; E382-Q386 PolarHBondContact O-N 3.04Å |
| 383 | E | 94.9 | Very high | 91.7 | Very high | 104 Ų | 104 | 86.8 Ų | 86.8 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.2 | -168.5 | 172.1 | -165.1 | 0 | 0 | 109.7 | N380 L385 Q386 E387 | N380-E383 HydrophobicContact CB-CB 4.09Å; N380-E383 WeakPolarHBondContact CB-OE2 3.49Å; N380-E383 PolarHBondContact ND2-OE2 3.05Å; N380-E383 WeakPolarHBondContact O-CB 3.47Å; N380-E383 PolarHBondContact O-N 3.27Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.15Å; E383-Q386 PolarHBondContact O-N 2.92Å; E383-Q386 VanDerWaalsContact O-N 3.12Å; E383-E387 PolarHBondContact O-N 2.89Å |
| 384 | V | 94.7 | Very high | 90 | Very high | 21 Ų | 21 | 87 Ų | 87 | 13% | 0.127 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.6 | -33.6 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | V342 V346 R347 N380 W388 | V342-V384 HydrophobicContact CG1-CG1 4.42Å; V342-V384 HydrophobicContact CG1-CG2 4.41Å; V346-V384 HydrophobicContact CB-CG1 4.03Å; V346-V384 HydrophobicContact CG1-CB 4.5Å; V346-V384 HydrophobicContact CG1-CG1 3.9Å; R347-V384 HydrophobicContact CB-CG1 3.74Å; R347-V384 HydrophobicContact CG-CG1 4.33Å; N380-V384 PolarHBondContact O-N 3.42Å; N380-V384 VanDerWaalsContact O-N 3.17Å; V384-W388 PolarHBondContact O-N 2.96Å |
| 385 | L | 94 | Very high | 87.9 | Confident | 6 Ų | 6 | 89.4 Ų | 89.4 | 3% | 0.031 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -74.9 | -41.8 | 173.1 | -80.6 | 169.4 | 0 | 0 | 0 | 112.1 | V346 K351 F372 L381 E382 E383 E387 W388 E389 | V346-L385 HydrophobicContact CG1-CD2 3.68Å; V346-L385 HydrophobicContact CG1-CG 3.78Å; K351-L385 HydrophobicContact CD-CD2 4.33Å; K351-L385 HydrophobicContact CG-CD1 4.39Å; K351-L385 HydrophobicContact CG-CD2 3.79Å; F372-L385 HydrophobicContact CE1-CD1 4.12Å; F372-L385 HydrophobicContact CE1-CD2 4.32Å; F372-L385 HydrophobicContact CE1-CG 4.44Å; L381-L385 VanDerWaalsContact O-CB 3.31Å; L381-L385 WeakPolarHBondContact O-CB 3.41Å; L381-L385 WeakPolarHBondContact O-CD1 3.29Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.14Å; L381-L385 VanDerWaalsContact O-N 3.11Å; E382-L385 WeakPolarHBondContact O-CB 3.17Å; E382-L385 PolarHBondContact O-N 2.99Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.15Å; L385-E387 VanDerWaalsContact C-N 3.35Å; L385-W388 WeakPolarHBondContact O-CB 3.11Å; L385-W388 PolarHBondContact O-N 3.25Å; L385-W388 VanDerWaalsContact O-N 3.16Å; L385-E389 WeakPolarHBondContact O-CG 3.46Å; L385-E389 PolarHBondContact O-N 2.89Å |
| 386 | Q | 94.2 | Very high | 85.2 | Confident | 136 Ų | 136 | 91.5 Ų | 91.5 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.9 | -38.3 | 179.3 | -171.5 | 175 | 12.6 | 0 | 0 | 111.7 | E382 E383 E389 A390 | E382-Q386 WeakPolarHBondContact O-CB 3.36Å; E382-Q386 PolarHBondContact O-N 3.04Å; E383-Q386 PolarHBondContact O-N 2.92Å; E383-Q386 VanDerWaalsContact O-N 3.12Å; Q386-E389 PolarHBondContact O-N 2.93Å; Q386-A390 WeakPolarHBondContact O-CB 3.39Å; Q386-A390 PolarHBondContact O-N 2.88Å |
| 387 | E | 92.2 | Very high | 82.9 | Confident | 92 Ų | 92 | 92.1 Ų | 92.1 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 169.8 | -76 | -175.4 | -139.2 | 0 | 0 | 111.9 | R347 E383 L385 A390 E391 | R347-E387 IonicContact CZ-OE2 2.68Å; R347-E387 IonicContact NE-OE2 3.21Å; R347-E387 PolarHBondContact NE-OE2 3.03Å; R347-E387 IonicContact NH2-OE2 3.87Å; R347-E387 PolarHBondContact NH2-OE2 3.26Å; E383-E387 PolarHBondContact O-N 2.89Å; L385-E387 VanDerWaalsContact C-N 3.35Å; E387-A390 PolarHBondContact O-N 3.42Å; E387-E391 PolarHBondContact O-N 3.43Å |
| 388 | W | 93.6 | Very high | 80.2 | Confident | 56 Ų | 56 | 88.9 Ų | 88.9 | 21% | 0.212 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 177.3 | 179.7 | 86.9 | 0 | 0 | 0 | 111.9 | K348 G350 V384 L385 A390 E391 Q392 | K348-W388 VanDerWaalsContact C-CD1 3.48Å; K348-W388 PolarHBondContact O-NE1 3.12Å; G350-W388 VanDerWaalsContact CA-CD2 3.44Å; V384-W388 PolarHBondContact O-N 2.96Å; L385-W388 WeakPolarHBondContact O-CB 3.11Å; L385-W388 PolarHBondContact O-N 3.25Å; L385-W388 VanDerWaalsContact O-N 3.16Å; W388-A390 VanDerWaalsContact C-N 3.32Å; W388-A390 PolarHBondContact O-N 3.33Å; W388-E391 PolarHBondContact O-N 3.39Å; W388-Q392 HydrophobicContact CD2-CG 3.91Å; W388-Q392 HydrophobicContact CE3-CG 4.31Å; W388-Q392 HydrophobicContact CG-CG 4.41Å; W388-Q392 HydrophobicContact CH2-CG 4.19Å; W388-Q392 HydrophobicContact CZ2-CG 3.79Å; W388-Q392 HydrophobicContact CZ3-CG 4.44Å; W388-Q392 VanDerWaalsContact NE1-NE2 3.18Å; W388-Q392 VanDerWaalsContact O-CG 3.23Å; W388-Q392 WeakPolarHBondContact O-CG 3.47Å; W388-Q392 PolarHBondContact O-N 2.85Å |
| 389 | E | 92.9 | Very high | 77.4 | Confident | 90 Ų | 90 | 85.1 Ų | 85.1 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 177.5 | -70 | 175.8 | -175.8 | 0 | 0 | 111.5 | K351 L385 Q386 G393 | K351-E389 IonicContact NZ-OE1 3.57Å; K351-E389 PolarHBondContact NZ-OE1 3.43Å; L385-E389 WeakPolarHBondContact O-CG 3.46Å; L385-E389 PolarHBondContact O-N 2.89Å; Q386-E389 PolarHBondContact O-N 2.93Å; E389-G393 PolarHBondContact O-N 3Å |
| 390 | A | 91.4 | Very high | 74.4 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q386 E387 W388 G393 T394 | Q386-A390 WeakPolarHBondContact O-CB 3.39Å; Q386-A390 PolarHBondContact O-N 2.88Å; E387-A390 PolarHBondContact O-N 3.42Å; W388-A390 VanDerWaalsContact C-N 3.32Å; W388-A390 PolarHBondContact O-N 3.33Å; A390-G393 PolarHBondContact O-N 3.03Å; A390-T394 PolarHBondContact O-N 3.17Å; A390-T394 PolarHBondContact O-OG1 3.33Å |
| 391 | E | 87.6 | Confident | 71.4 | Confident | 100 Ų | 100 | 91.5 Ų | 91.5 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 176.8 | -77.9 | -179.8 | -177.8 | 0 | 0 | 112.2 | R347 E387 W388 G393 T394 Q395 | R347-E391 IonicContact CZ-OE1 2.68Å; R347-E391 IonicContact CZ-OE2 3.32Å; R347-E391 IonicContact NH1-OE1 2.71Å; R347-E391 PolarHBondContact NH1-OE1 2.95Å; R347-E391 IonicContact NH1-OE2 2.81Å; R347-E391 PolarHBondContact NH1-OE2 3.44Å; R347-E391 IonicContact NH2-OE1 3.19Å; R347-E391 PolarHBondContact NH2-OE1 3.24Å; R347-E391 IonicContact NH2-OE2 2.63Å; E387-E391 PolarHBondContact O-N 3.43Å; W388-E391 PolarHBondContact O-N 3.39Å; E391-G393 VanDerWaalsContact C-N 3.32Å; E391-G393 PolarHBondContact O-N 3.15Å; E391-T394 PolarHBondContact O-N 2.95Å; E391-Q395 PolarHBondContact O-N 3.38Å |
| 392 | Q | 82.1 | Confident | 68.6 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 45% | 0.449 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.5 | -34.8 | 176.6 | -62.7 | -67.1 | 2.4 | 0 | 0 | 112 | W388 T394 Q395 | W388-Q392 HydrophobicContact CD2-CG 3.91Å; W388-Q392 HydrophobicContact CE3-CG 4.31Å; W388-Q392 HydrophobicContact CG-CG 4.41Å; W388-Q392 HydrophobicContact CH2-CG 4.19Å; W388-Q392 HydrophobicContact CZ2-CG 3.79Å; W388-Q392 HydrophobicContact CZ3-CG 4.44Å; W388-Q392 VanDerWaalsContact NE1-NE2 3.18Å; W388-Q392 VanDerWaalsContact O-CG 3.23Å; W388-Q392 WeakPolarHBondContact O-CG 3.47Å; W388-Q392 PolarHBondContact O-N 2.85Å; Q392-T394 PolarHBondContact O-N 2.82Å; Q392-Q395 PolarHBondContact O-N 3.14Å |
| 393 | G | 63.3 | Low | 65.7 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 72% | 0.722 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.6 | -16.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E389 A390 E391 | E389-G393 PolarHBondContact O-N 3Å; A390-G393 PolarHBondContact O-N 3.03Å; E391-G393 VanDerWaalsContact C-N 3.32Å; E391-G393 PolarHBondContact O-N 3.15Å |
| 394 | T | 58.4 | Low | 62.7 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -98.7 | -9.4 | -179.1 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | A390 E391 Q392 A396 | A390-T394 PolarHBondContact O-N 3.17Å; A390-T394 PolarHBondContact O-OG1 3.33Å; E391-T394 PolarHBondContact O-N 2.95Å; Q392-T394 PolarHBondContact O-N 2.82Å; T394-A396 PolarHBondContact O-N 3.34Å |
| 395 | Q | 50.9 | Low | 59.7 | Low | 150 Ų | 150 | 100.8 Ų | 100.8 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | trans | -74.8 | 67.2 | 173.6 | -78.2 | -84.2 | -3.3 | 0 | 0 | 112 | E391 Q392 | E391-Q395 PolarHBondContact O-N 3.38Å; Q392-Q395 PolarHBondContact O-N 3.14Å | ||
| 396 | A | 37.7 | Very low | 56.9 | Low | 76 Ų | 76 | 109.6 Ų | 109.6 | 63% | 0.628 | 67% | 0.671 | S | S | * | * | trans | -70.7 | 125.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T394 N398 | T394-A396 PolarHBondContact O-N 3.34Å; A396-N398 PolarHBondContact O-N 3.15Å | ||
| 397 | P | 45.6 | Very low | 54.1 | Low | 130 Ų | 130 | 109.7 Ų | 109.7 | 84% | 0.844 | 67% | 0.671 | S | S | * | * | trans | -81.1 | 80.1 | -173 | 32.7 | -36.4 | 0 | 0 | 0 | 112.8 | G399 | P397-G399 PolarHBondContact O-N 3.28Š| ||
| 398 | N | 38.7 | Very low | 51.1 | Low | 170 Ų | 170 | 108.4 Ų | 108.4 | 91% | 0.909 | 68% | 0.683 | S | S | * | * | trans | -80.8 | 96.9 | 166.3 | -86.9 | -13.7 | 0 | 0 | 0 | 110.3 | A396 | A396-N398 PolarHBondContact O-N 3.15Š| ||
| 399 | G | 33.7 | Very low | 48.2 | Very low | 69 Ų | 69 | 113.2 Ų | 113.2 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 178.6 | 56.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P397 | P397-G399 PolarHBondContact O-N 3.28Š|
| 400 | D | 33.3 | Very low | 45.1 | Very low | 157 Ų | 157 | 116.9 Ų | 116.9 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 30.4 | 105.7 | 167 | -79.1 | -39.9 | 0 | 0 | 0 | 120 | ||||
| 401 | S | 31.4 | Very low | 42.2 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | -158 | 134.6 | 120.2 | -81.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 402 | A | 36 | Very low | 39.3 | Very low | 84 Ų | 84 | 118.4 Ų | 118.4 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | trans | -102.2 | 163.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 403 | T | 32.3 | Very low | 36.6 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 68 | 121.1 | 176.6 | 69 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 404 | S | 32.9 | Very low | 35 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | cis | 67.8 | 121.4 | 25.2 | -159.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 405 | G | 30.9 | Very low | 33.8 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | cis | -157.4 | -161.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 406 | E | 35.2 | Very low | 32.6 | Very low | 190 Ų | 190 | 122.8 Ų | 122.8 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | cis | -155.7 | 175.9 | -2.6 | -63.2 | -172.7 | 75.8 | 0 | 0 | 106.7 | ||||
| 407 | E | 35.3 | Very low | 32.1 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | cis | -132.7 | -112.7 | -0.9 | -174.7 | -128.5 | 58.7 | 0 | 0 | 108.1 | K409 | E407-K409 WeakPolarHBondContact OE1-CG 3.27Å; E407-K409 PolarHBondContact OE1-N 3Å; E407-K409 IonicContact OE1-NZ 2.74Å; E407-K409 PolarHBondContact OE1-NZ 2.94Å; E407-K409 IonicContact OE2-NZ 3.84Å; E407-K409 PolarHBondContact OE2-NZ 3.26Å | ||
| 408 | G | 30.4 | Very low | 31.5 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 132.2 | 32.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 409 | K | 32.7 | Very low | 31 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 68% | 0.683 | 78% | 0.782 | S | S | * | * | trans | -27.2 | 129.1 | 179 | -69.6 | 171 | -170.7 | 72.8 | 0 | 117.5 | E407 | E407-K409 WeakPolarHBondContact OE1-CG 3.27Å; E407-K409 PolarHBondContact OE1-N 3Å; E407-K409 IonicContact OE1-NZ 2.74Å; E407-K409 PolarHBondContact OE1-NZ 2.94Å; E407-K409 IonicContact OE2-NZ 3.84Å; E407-K409 PolarHBondContact OE2-NZ 3.26Å | ||
| 410 | N | 26.8 | Very low | 31 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | -168.8 | 168.2 | 106.2 | 50.8 | 81.2 | 0 | 0 | 0 | 112.1 | |||||
| 411 | S | 30.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -126.1 | 142.9 | -159.1 | -171.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 412 | S | 27.4 | Very low | 31.4 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | 41.5 | 129.9 | 144.2 | 62.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 413 | T | 25.6 | Very low | 31.7 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -141.4 | 110.6 | 144.3 | -65.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 414 | T | 29.8 | Very low | 32 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -140.9 | 135.9 | 163.8 | 46.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 415 | P | 33.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -113.8 | 114.6 | 165.9 | 33.6 | -22.7 | 0 | 0 | 0 | 110.9 | ||||
| 416 | S | 25.2 | Very low | 32.3 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -119.7 | 136.4 | 164.5 | -74.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 417 | G | 27.6 | Very low | 32.1 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -106.7 | 132.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 418 | K | 32.5 | Very low | 31.9 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 45.5 | 111.3 | 137 | -169.9 | 178 | 178.5 | 179.5 | 0 | 120.4 | T420 | K418-T420 HydrophobicContact CG-CG2 4.15Š| ||
| 419 | S | 27.8 | Very low | 31.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -154.1 | 139.7 | 141.7 | -126.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 420 | T | 34.4 | Very low | 31.6 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 47% | 0.466 | 78% | 0.782 | S | S | . | * | cis | 71.5 | 114.6 | 3.2 | 77.4 | 0 | 0 | 0 | 0 | 114.3 | K418 | K418-T420 HydrophobicContact CG-CG2 4.15Š| ||
| 421 | D | 30.5 | Very low | 31.7 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -159.6 | 172.7 | 6.4 | -54 | -63.8 | 0 | 0 | 0 | 109.2 | ||||
| 422 | E | 42.7 | Very low | 31.7 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | -168.2 | 159.9 | -26.8 | -97.4 | 171.7 | 155.9 | 0 | 0 | 110.2 | ||||
| 423 | E | 42 | Very low | 31.7 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 57 | 146 | 163 | -69.2 | -178.9 | 167.5 | 0 | 0 | 123.6 | ||||
| 424 | D | 37.2 | Very low | 31.9 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | cis | -135.2 | -111.8 | -13.9 | -171 | 41.2 | 0 | 0 | 0 | 114.4 | ||||
| 425 | E | 38.9 | Very low | 31.9 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | cis | -155.1 | -175.7 | 13.6 | -160.3 | 176.8 | -133.6 | 0 | 0 | 111.5 | ||||
| 426 | E | 32.6 | Very low | 32.4 | Very low | 193 Ų | 193 | 129.6 Ų | 129.6 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -59.3 | 159.3 | -174.7 | -64 | -164.7 | 122.8 | 0 | 0 | 117.3 | ||||
| 427 | G | 30.4 | Very low | 32.6 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | 164.6 | 163.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 428 | Q | 30.6 | Very low | 32.7 | Very low | 192 Ų | 192 | 129.2 Ų | 129.2 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | 64.8 | 151.5 | 176 | -76.2 | -172 | 16.8 | 0 | 0 | 118.3 | ||||
| 429 | V | 30.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | cis | -138.2 | 158.1 | 7.5 | -103.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 430 | T | 27.8 | Very low | 32.8 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -24.3 | 162.3 | 157.5 | 55.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 431 | S | 29.3 | Very low | 32.6 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | cis | 179.5 | 164.7 | -19.3 | 66.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 432 | S | 30.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 138.9 | 160.9 | -46.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 433 | G | 26.8 | Very low | 32 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | 171.8 | -173.9 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 434 | A | 29.5 | Very low | 31.4 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | 71.9 | 109.9 | 168 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 435 | S | 29.1 | Very low | 31.2 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -82.8 | 171.1 | 144.6 | -37 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 436 | P | 44.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -128.6 | 170.9 | 58.3 | 10.2 | 15.9 | 0 | 0 | 0 | 112.8 | |||||
| 437 | A | 30.1 | Very low | 31.4 | Very low | 90 Ų | 90 | 115.7 Ų | 115.7 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | cis | 117.3 | 141.2 | 18 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 438 | A | 30.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 65.6 | 155 | 175 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 439 | S | 31.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | -168.2 | 174.1 | -24.7 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 440 | S | 30 | Very low | 31.6 | Very low | 96 Ų | 96 | 113 Ų | 113 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | 52.4 | 110.6 | 156.2 | 51.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 441 | S | 30.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | 71.4 | 96.1 | 62.3 | 79 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 442 | S | 30.2 | Very low | 31.8 | Very low | 112 Ų | 112 | 114 Ų | 114 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -173.4 | 126.7 | 139.6 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 443 | S | 30.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 52.2 | 110.3 | 134.1 | -52.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 444 | A | 30 | Very low | 32.1 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | 56.8 | 125.7 | 127.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 445 | Q | 32.1 | Very low | 32.2 | Very low | 192 Ų | 192 | 116 Ų | 116 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | -170.2 | 148.4 | 109.9 | -100.2 | 165.5 | 41.1 | 0 | 0 | 112.2 | |||||
| 446 | N | 33 | Very low | 32.4 | Very low | 161 Ų | 161 | 116.8 Ų | 116.8 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -114.7 | 148.9 | 168.4 | -94 | -12.3 | 0 | 0 | 0 | 109 | ||||
| 447 | P | 42.9 | Very low | 31.8 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | -142.7 | 137.1 | 127.1 | 35.3 | -20.9 | 0 | 0 | 0 | 115.4 | |||||
| 448 | V | 31.1 | Very low | 31.9 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | 29.1 | 131.5 | 107.6 | 162.6 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 449 | S | 31.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | cis | -173.5 | 163.2 | 1.3 | -104.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 450 | S | 33.6 | Very low | 33.4 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 74.1 | 155.2 | 140.1 | 67.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 451 | N | 30.8 | Very low | 34.3 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 76.9 | 138 | 165.1 | -66.9 | -5.6 | 0 | 0 | 0 | 118.3 | ||||
| 452 | A | 30.9 | Very low | 34.6 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | cis | -160.4 | 155.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 453 | S | 31.8 | Very low | 35 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 47.5 | 111.6 | 141.7 | -54.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 454 | S | 31.9 | Very low | 35.7 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | 47.8 | 128.7 | 128 | 66.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 455 | S | 31.5 | Very low | 36.3 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | -173.9 | 177.7 | 105.4 | -156.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 456 | L | 32.8 | Very low | 36.3 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | trans | -89.7 | 169.1 | -163.6 | -69.2 | 67.1 | 0 | 0 | 0 | 116.2 | ||||
| 457 | H | 32 | Very low | 36.5 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 73% | 0.731 | 79% | 0.789 | S | S | * | * | trans | 94.5 | 120.2 | 147.9 | -66 | 121.7 | 0 | 0 | 0 | 122.3 | ||||
| 458 | Q | 32.4 | Very low | 37 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 59.6 | 139.2 | 139.5 | -67.2 | -177.1 | -14.8 | 0 | 0 | 122.7 | ||||
| 459 | P | 46.4 | Very low | 37.4 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -85.2 | 152.5 | 165.6 | 37.3 | -34.9 | 0 | 0 | 0 | 111.9 | ||||
| 460 | P | 46.3 | Very low | 37.9 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | -144 | -159.5 | 91 | 41.3 | -23.5 | 0 | 0 | 0 | 111 | |||||
| 461 | P | 48.3 | Very low | 38.5 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | cis | -132.2 | -121.2 | -0.9 | 42.2 | -21.2 | 0 | 0 | 0 | 114.3 | ||||
| 462 | L | 37.2 | Very low | 38.8 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -140.2 | 150.5 | -173.2 | -69.4 | 160 | 0 | 0 | 0 | 110.9 | ||||
| 463 | L | 38.8 | Very low | 38.9 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -149.3 | 154.6 | 152.3 | -84.5 | -170.7 | 0 | 0 | 0 | 111.8 | ||||
| 464 | R | 44.5 | Very low | 39.3 | Very low | 233 Ų | 233 | 141.5 Ų | 141.5 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -153.6 | 128.6 | -172.2 | -174 | -166.3 | -169.8 | -179.5 | 7.3 | 111.7 | ||||
| 465 | P | 42.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -85.1 | 169.7 | 167 | -14.7 | 32.4 | 0 | 0 | 0 | 114 | ||||
| 466 | S | 33.1 | Very low | 39.9 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -117.5 | 169.7 | -162.8 | 62.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 467 | L | 36.8 | Very low | 40.4 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -75.6 | 161.1 | 174.5 | -60 | 165.5 | 0 | 0 | 0 | 113.7 | ||||
| 468 | P | 52.3 | Low | 41 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -90.4 | 167.3 | 146.4 | 1.5 | 19.2 | 0 | 0 | 0 | 112.2 | ||||
| 469 | A | 41.2 | Very low | 41.8 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -98.7 | 176.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 470 | T | 40.2 | Very low | 41.7 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 73% | 0.73 | 83% | 0.827 | S | S | * | * | trans | -82.7 | 178 | -175.4 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 471 | P | 46.5 | Very low | 41.3 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | -127 | 157.5 | 107.8 | 37.3 | -33.6 | 0 | 0 | 0 | 113.9 | |||||
| 472 | S | 36.6 | Very low | 41.1 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | -90.8 | 144.9 | -176 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 473 | L | 33.9 | Very low | 41 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 95% | 0.953 | 83% | 0.831 | S | S | * | * | trans | -131.2 | 144.2 | 151.1 | -88 | -179.6 | 0 | 0 | 0 | 111.3 | ||||
| 474 | H | 39.9 | Very low | 40.8 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -103.4 | 124.8 | -168.3 | -172.8 | 92.9 | 0 | 0 | 0 | 110.3 | ||||
| 475 | R | 38.5 | Very low | 40.4 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -142.2 | 129.9 | 167.4 | -106.8 | -175.5 | -178.8 | -89 | -0.6 | 111.4 | ||||
| 476 | Q | 37.9 | Very low | 40 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 71% | 0.71 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 158.4 | 172.9 | -68.5 | -171.1 | -4.9 | 0 | 0 | 111.5 | ||
| 477 | P | 43 | Very low | 40 | Very low | 118 Ų | 118 | 151.7 Ų | 151.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138.4 | 168.2 | 29.2 | -35 | 0 | 0 | 0 | 111.2 | ||
| 478 | P | 44.6 | Very low | 40.1 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 152.1 | 173 | 31.5 | -34.1 | 0 | 0 | 0 | 111.8 | ||
| 479 | P | 48.3 | Very low | 39.8 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 168.9 | -169.6 | 36.2 | -37.8 | 0 | 0 | 0 | 114.9 | ||
| 480 | L | 44.5 | Very low | 39.3 | Very low | 179 Ų | 179 | 157.1 Ų | 157.1 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 138.4 | 162.1 | -82.2 | 153.8 | 0 | 0 | 0 | 111.8 | ||
| 481 | Q | 38.9 | Very low | 38.9 | Very low | 169 Ų | 169 | 158 Ų | 158 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -139.7 | 120.9 | 164.7 | -163.6 | 163.8 | 50.6 | 0 | 0 | 111.4 | ||||
| 482 | Q | 44.9 | Very low | 38.2 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -86.7 | 145.2 | 165.6 | -59.5 | 173.7 | 5.3 | 0 | 0 | 109 | ||||
| 483 | Q | 35 | Very low | 38 | Very low | 180 Ų | 180 | 158.9 Ų | 158.9 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -160.2 | 159.8 | 156.8 | -116.8 | 163.5 | 63 | 0 | 0 | 111.4 | ||||
| 484 | A | 34.3 | Very low | 38 | Very low | 92 Ų | 92 | 158.6 Ų | 158.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -151.2 | 154.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 485 | R | 35.7 | Very low | 37.8 | Very low | 217 Ų | 217 | 159.5 Ų | 159.5 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | 66.7 | 125.5 | 168.5 | -63.6 | -179.3 | 171.6 | 172.2 | -1.8 | 118.8 | ||||
| 486 | F | 33.8 | Very low | 38 | Very low | 196 Ų | 196 | 153 Ų | 153 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | -145.6 | 133.5 | 101.8 | -85.6 | -87.3 | 0 | 0 | 0 | 105.4 | |||||
| 487 | L | 33.3 | Very low | 38.6 | Very low | 122 Ų | 122 | 151 Ų | 151 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | 62.9 | 131.5 | 61.3 | -59.8 | -179.8 | 0 | 0 | 0 | 111.7 | |||||
| 488 | Q | 38.8 | Very low | 38.9 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | cis | -162.4 | -169.8 | 18.7 | -121.9 | -177.7 | 80 | 0 | 0 | 108.8 | ||||
| 489 | P | 45.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -125.1 | -138.5 | -9.4 | 38.7 | -18 | 0 | 0 | 0 | 113.7 | ||||
| 490 | R | 32.1 | Very low | 37.9 | Very low | 215 Ų | 215 | 153.8 Ų | 153.8 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -151.8 | 150.7 | -147.1 | 173 | -169.6 | 179.7 | -161.7 | 1.7 | 115.4 | T492 | R490-T492 HydrophobicContact CG-CG2 4.18Š| ||
| 491 | T | 31.1 | Very low | 37.6 | Very low | 136 Ų | 136 | 156 Ų | 156 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -125.8 | 174.8 | 158.7 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 492 | T | 32.3 | Very low | 37.6 | Very low | 90 Ų | 90 | 153.6 Ų | 153.6 | 55% | 0.552 | 78% | 0.782 | S | S | * | * | trans | -151.9 | 98.4 | -149.4 | 46.4 | 0 | 0 | 0 | 0 | 117.2 | R490 | R490-T492 HydrophobicContact CG-CG2 4.18Š| ||
| 493 | L | 32.7 | Very low | 37.1 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -147.1 | 108.7 | 154.2 | -108.6 | 110.4 | 0 | 0 | 0 | 109.6 | ||||
| 494 | Q | 33.8 | Very low | 37.1 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 91.3 | 94.1 | 74.4 | -79 | -168.9 | 43.9 | 0 | 0 | 114.2 | |||||
| 495 | Q | 34 | Very low | 37.9 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -0.8 | 169.5 | 147.5 | -75 | -168.9 | 16.8 | 0 | 0 | 122.5 | ||||
| 496 | P | 44.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | cis | -133 | 165.8 | 7.5 | 39.5 | -23.4 | 0 | 0 | 0 | 117.5 | ||||
| 497 | P | 49.9 | Very low | 39.3 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -85.4 | 153.3 | 152.3 | 37.6 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 498 | P | 48.6 | Very low | 40 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | -157.9 | 171.2 | 80.5 | 40.9 | -21.3 | 0 | 0 | 0 | 117 | |||||
| 499 | L | 33.2 | Very low | 40 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | -167.2 | 140.6 | 116.5 | -132.4 | 66.4 | 0 | 0 | 0 | 112.7 | |||||
| 500 | I | 38.5 | Very low | 39.7 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -112.2 | 145.4 | 170 | -66.4 | 169 | 0 | 0 | 0 | 107.8 | ||||
| 501 | R | 38.9 | Very low | 40.2 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -128.9 | 152.3 | 157.7 | -85.2 | -170.5 | 172.4 | 167.5 | -0.7 | 110.8 | ||||
| 502 | P | 38.8 | Very low | 41 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -91.4 | 148.8 | -155.1 | -7.1 | 27.1 | 0 | 0 | 0 | 113.5 | ||||
| 503 | S | 35.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 146.4 | 150.2 | 47.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 504 | N | 33.7 | Very low | 41.8 | Very low | 161 Ų | 161 | 148 Ų | 148 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -133 | 148.3 | 166.8 | -143.1 | 37.9 | 0 | 0 | 0 | 109.3 | ||||
| 505 | P | 50.9 | Low | 42 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 166.1 | -151.8 | 37.2 | -37.7 | 0 | 0 | 0 | 115.5 | ||
| 506 | M | 47.8 | Very low | 42.9 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 139.3 | 165.7 | -169.6 | 172.2 | 70.7 | 0 | 0 | 110.9 | ||
| 507 | P | 50.9 | Low | 42.4 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 156.7 | -179.4 | 28.7 | -35.2 | 0 | 0 | 0 | 113 | ||
| 508 | P | 49.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 150.9 | -167.7 | 32.6 | -36.5 | 0 | 0 | 0 | 114.2 | ||
| 509 | R | 38.2 | Very low | 41.1 | Very low | 247 Ų | 247 | 146.5 Ų | 146.5 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71 | 134.2 | 154.7 | -87.5 | -174.1 | 164.2 | -158.7 | -4.1 | 109.6 | ||
| 510 | L | 39.8 | Very low | 41 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -122.8 | 132.3 | 158.4 | -71.6 | 176.6 | 0 | 0 | 0 | 110.1 | ||||
| 511 | N | 42.3 | Very low | 40.7 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -78.9 | 169.3 | 167.2 | -116.6 | 17.5 | 0 | 0 | 0 | 108.7 | ||||
| 512 | P | 47.8 | Very low | 40.4 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -148.1 | 170.5 | 46 | 40.8 | -20.2 | 0 | 0 | 0 | 118.9 | ||||
| 513 | R | 42.4 | Very low | 40.1 | Very low | 195 Ų | 195 | 136 Ų | 136 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -70.8 | 138.7 | 162.2 | 158.8 | -172.9 | 168.2 | -177.8 | -0.6 | 111.4 | T515 | R513-T515 VanDerWaalsContact CZ-OG1 3.31Å; R513-T515 PolarHBondContact NE-OG1 3.32Å; R513-T515 PolarHBondContact NH2-OG1 3.2Å | ||
| 514 | P | 39.3 | Very low | 40.1 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -104.2 | 118.4 | 161 | 34.3 | -26.9 | 0 | 0 | 0 | 112.9 | ||||
| 515 | T | 38.2 | Very low | 40 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | trans | -156.7 | 143.3 | 157.1 | 53.5 | 0 | 0 | 0 | 0 | 105.6 | R513 | R513-T515 VanDerWaalsContact CZ-OG1 3.31Å; R513-T515 PolarHBondContact NE-OG1 3.32Å; R513-T515 PolarHBondContact NH2-OG1 3.2Å | ||
| 516 | P | 53.4 | Low | 40.2 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | cis | -138.6 | -179.2 | 28.1 | 43.3 | -27.4 | 0 | 0 | 0 | 115.2 | ||||
| 517 | V | 33.2 | Very low | 39.4 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | -161.1 | 161 | 127 | -99.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 518 | S | 38.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -133.9 | 126.3 | 176 | 178 | 0 | 0 | 0 | 0 | 110 | ||||
| 519 | L | 33.2 | Very low | 38.1 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | trans | 171.9 | 140.4 | 171.9 | -95.9 | 149.4 | 0 | 0 | 0 | 106.1 | ||||
| 520 | G | 29.8 | Very low | 37.9 | Very low | 61 Ų | 61 | 125.1 Ų | 125.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | cis | 172.9 | 152.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 521 | S | 32.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 55.6 | 112.7 | 158.7 | 58.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 522 | N | 33.1 | Very low | 37.3 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | 82.4 | 152.2 | 123.7 | -72.9 | 1.6 | 0 | 0 | 0 | 125 | |||||
| 523 | A | 33.3 | Very low | 36.8 | Very low | 103 Ų | 103 | 126 Ų | 126 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 73.9 | 133.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 524 | A | 35 | Very low | 37.3 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | cis | -152.4 | 167.3 | -7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 525 | G | 31.3 | Very low | 37.3 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -92.7 | -150.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 526 | P | 55.5 | Low | 37.1 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | cis | -139.8 | -174.4 | 8.7 | 43.6 | -25.4 | 0 | 0 | 0 | 116.5 | ||||
| 527 | G | 31.5 | Very low | 36.2 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 136.8 | 93.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 528 | Q | 36.8 | Very low | 36.4 | Very low | 198 Ų | 198 | 122.3 Ų | 122.3 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | 58.1 | 133.8 | 84 | -62.5 | -165.1 | 9.2 | 0 | 0 | 114 | |||||
| 529 | S | 35.1 | Very low | 36.5 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | cis | -153.9 | 168.3 | 26.8 | 50.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 530 | S | 34.4 | Very low | 36.5 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | 34.2 | 121.5 | 154.8 | -59 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 531 | A | 36.3 | Very low | 36.8 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | 74.1 | 148.8 | 74 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 532 | Q | 33.9 | Very low | 36.9 | Very low | 188 Ų | 188 | 127.6 Ų | 127.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | cis | -156.7 | 160.5 | 19.8 | -166.9 | 157.8 | -20.8 | 0 | 0 | 112.6 | ||||
| 533 | Q | 36.2 | Very low | 36.9 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -102.6 | 155.4 | 169.8 | -126.5 | -175.6 | 30.4 | 0 | 0 | 110 | ||||
| 534 | P | 52.5 | Low | 37.2 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | -152.3 | -170.9 | 81 | 40.9 | -21 | 0 | 0 | 0 | 115.3 | |||||
| 535 | A | 39.7 | Very low | 37.4 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -99.8 | 166.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 536 | G | 34.4 | Very low | 37.9 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 178.8 | 121.2 | 169 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 537 | M | 34.5 | Very low | 37.1 | Very low | 204 Ų | 204 | 129.7 Ų | 129.7 | 100% | 1.005 | 80% | 0.803 | S | S | * | * | trans | 70.7 | 148.2 | 150.2 | -58.8 | -170.7 | 175.8 | 0 | 0 | 121.1 | ||||
| 538 | A | 37.8 | Very low | 37.7 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -119.1 | 156.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 539 | I | 39.7 | Very low | 38.1 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -128.8 | 156.6 | 168.3 | -68 | -175.3 | 0 | 0 | 0 | 108.8 | ||||
| 540 | H | 34.5 | Very low | 38.8 | Very low | 162 Ų | 162 | 129 Ų | 129 | 75% | 0.75 | 80% | 0.804 | S | S | * | * | trans | -116.5 | 173.3 | -160.6 | -158.8 | -94.4 | 0 | 0 | 0 | 110.7 | ||||
| 541 | L | 34.4 | Very low | 39.4 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | trans | 72.8 | 152.8 | 168.8 | -52.9 | 173.7 | 0 | 0 | 0 | 116.7 | ||||
| 542 | S | 34.5 | Very low | 39.6 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 62% | 0.622 | 83% | 0.825 | S | S | * | * | cis | -169.3 | 156.5 | -24.5 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 543 | D | 33.4 | Very low | 39.9 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | 20.3 | 132.7 | 152.5 | -62.4 | -73.2 | 0 | 0 | 0 | 122.1 | ||||
| 544 | T | 39.1 | Very low | 40.1 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | -161.1 | 149.8 | 108.8 | 9.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 545 | A | 41 | Very low | 39.4 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -126.2 | 141.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 546 | S | 40.9 | Very low | 39.3 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -166.8 | 130.6 | 155.8 | -79.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 547 | S | 39.5 | Very low | 39.7 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | cis | 102.8 | 143.6 | 28.8 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 548 | S | 43.8 | Very low | 40 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 73.7 | 125.1 | -167.5 | -44.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 549 | S | 44.7 | Very low | 40.2 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | cis | 91.4 | 147 | 26.4 | -162.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 550 | V | 49.3 | Very low | 40.3 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 56.5 | 133.5 | -169.5 | -68.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 551 | H | 48 | Very low | 40.8 | Very low | 246 Ų | 246 | 132.5 Ų | 132.5 | 100% | 1.139 | 82% | 0.816 | S | S | * | * | cis | -136.1 | 0 | 44.9 | -141.9 | -41.4 | 0 | 0 | 0 | 116.8 |
Retrieved 551 of 551 residues in 322 ms
(Link to these results)