| 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 | 50 | Low | 70.3 | Confident | 251 Ų | 251 | 183.5 Ų | 183.5 | 100% | 1.236 | 87% | 0.872 | S | S | * | * | 0 | 127.6 | 0 | -65.1 | -158.3 | -178.2 | 0 | 0 | 109.1 | |||||
| 2 | S | 72.4 | Confident | 69.9 | Low | 109 Ų | 109 | 181.7 Ų | 181.7 | 76% | 0.762 | 87% | 0.869 | S | S | * | * | trans | -84.1 | 135.4 | -169.7 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | R | 69.6 | Low | 70 | Confident | 249 Ų | 249 | 181.8 Ų | 181.8 | 94% | 0.94 | 86% | 0.864 | S | S | * | * | trans | -136.3 | 78 | 161 | -73.4 | -170 | -177.4 | -151.4 | 0.6 | 109.5 | K5 | R3-K5 PolarHBondContact O-N 3.16Š| ||
| 4 | R | 76.7 | Confident | 70.1 | Confident | 228 Ų | 228 | 185.1 Ų | 185.1 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | trans | -68.2 | 119.9 | 170.4 | -163.3 | 172.7 | -157.1 | 176.6 | 5 | 108.3 | Q6 | R4-Q6 PolarHBondContact O-N 3.15Š| ||
| 5 | K | 73.6 | Confident | 70 | Confident | 203 Ų | 203 | 180.6 Ų | 180.6 | 88% | 0.883 | 86% | 0.86 | S | S | * | * | trans | -61.3 | 103.5 | 170.4 | -76.9 | -85.4 | -174.3 | 175.5 | 0 | 108 | R3 S7 | R3-K5 PolarHBondContact O-N 3.16Å; K5-S7 PolarHBondContact O-N 3.33Å | ||
| 6 | Q | 72.8 | Confident | 69.7 | Low | 186 Ų | 186 | 180.2 Ų | 180.2 | 87% | 0.869 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.8 | 165.4 | -75.8 | -178.2 | -34.9 | 0 | 0 | 107.6 | R4 | R4-Q6 PolarHBondContact O-N 3.15Š|
| 7 | S | 72.2 | Confident | 69 | Low | 114 Ų | 114 | 173.6 Ų | 173.6 | 80% | 0.797 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140 | 172 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | K5 P9 | K5-S7 PolarHBondContact O-N 3.33Å; S7-P9 WeakPolarHBondContact O-CD 3.45Å |
| 8 | N | 70.8 | Confident | 68.4 | Low | 149 Ų | 149 | 171.6 Ų | 171.6 | 80% | 0.797 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117 | -178.6 | -158.1 | -8.7 | 0 | 0 | 0 | 108.9 | R10 | N8-R10 PolarHBondContact O-N 3.37Š|
| 9 | P | 69.8 | Low | 67.9 | Low | 107 Ų | 107 | 172.5 Ų | 172.5 | 70% | 0.695 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 122.1 | -179.7 | 27 | -32.3 | 0 | 0 | 0 | 109.6 | S7 Q11 | S7-P9 WeakPolarHBondContact O-CD 3.45Å; P9-Q11 PolarHBondContact O-N 3.26Å |
| 10 | R | 70.4 | Confident | 67.2 | Low | 240 Ų | 240 | 170.7 Ų | 170.7 | 91% | 0.906 | 84% | 0.841 | S | S | * | * | trans | -71.5 | 113.8 | 173.3 | -67.7 | -172.8 | -163.8 | -146.8 | 3.8 | 108.4 | N8 I12 | N8-R10 PolarHBondContact O-N 3.37Å; R10-I12 PolarHBondContact O-N 3.18Å; R10-I12 VanDerWaalsContact O-N 3.17Å | ||
| 11 | Q | 74.4 | Confident | 66.5 | Low | 182 Ų | 182 | 166.4 Ų | 166.4 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | -63.3 | 113.6 | 171.9 | -65.6 | -161.5 | -40.2 | 0 | 0 | 109.4 | P9 K13 | P9-Q11 PolarHBondContact O-N 3.26Å; Q11-K13 PolarHBondContact O-N 3.34Å; Q11-K13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | I | 66.1 | Low | 66.6 | Low | 162 Ų | 162 | 163.9 Ų | 163.9 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 100.1 | 172.2 | -25.4 | 173.4 | 0 | 0 | 0 | 106.3 | R10 R14 | R10-I12 PolarHBondContact O-N 3.18Å; R10-I12 VanDerWaalsContact O-N 3.17Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.22Å | ||
| 13 | K | 70.9 | Confident | 65.3 | Low | 184 Ų | 184 | 167.4 Ų | 167.4 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -69.5 | 93.5 | 171.9 | -68.7 | 177.6 | 64 | 173.9 | 0 | 108 | Q11 S15 | Q11-K13 PolarHBondContact O-N 3.34Å; Q11-K13 VanDerWaalsContact O-N 3.15Å; K13-S15 PolarHBondContact O-N 3.15Å | ||
| 14 | R | 71 | Confident | 64.2 | Low | 228 Ų | 228 | 164.3 Ų | 164.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 101.6 | 164 | 43.5 | -174 | -178.8 | 124.8 | 1.5 | 107.7 | I12 L16 | I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.22Å; R14-L16 PolarHBondContact O-N 3.24Å; R14-L16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | S | 69.6 | Low | 63 | Low | 117 Ų | 117 | 159 Ų | 159 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -66.3 | 109.6 | 170.8 | -63.7 | 0 | 0 | 0 | 0 | 108.1 | K13 G17 | K13-S15 PolarHBondContact O-N 3.15Å; S15-G17 PolarHBondContact O-N 3.39Å | ||
| 16 | L | 64.1 | Low | 61.4 | Low | 174 Ų | 174 | 157.1 Ų | 157.1 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -76 | 94.1 | 166.6 | -161.1 | 95.6 | 0 | 0 | 0 | 106.3 | R14 | R14-L16 PolarHBondContact O-N 3.24Å; R14-L16 VanDerWaalsContact O-N 3.15Å | ||
| 17 | G | 58.9 | Low | 60.3 | Low | 69 Ų | 69 | 156.2 Ų | 156.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -86.9 | 107.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S15 | S15-G17 PolarHBondContact O-N 3.39Š| ||
| 18 | D | 57.7 | Low | 58.5 | Low | 137 Ų | 137 | 157.8 Ų | 157.8 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 48.9 | 98 | 140.7 | -152.9 | 38.3 | 0 | 0 | 0 | 119.1 | ||||
| 19 | M | 58.2 | Low | 56.9 | Low | 188 Ų | 188 | 153.6 Ų | 153.6 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | -93.1 | 89 | 161.5 | -178.8 | 116.6 | 64.2 | 0 | 0 | 107.3 | A21 | M19-A21 PolarHBondContact O-N 3.2Š| ||
| 20 | E | 55.7 | Low | 55.5 | Low | 137 Ų | 137 | 153.4 Ų | 153.4 | 64% | 0.64 | 80% | 0.801 | S | S | * | * | trans | -71.8 | 118.9 | 172.7 | -105.8 | -125.6 | 106.5 | 0 | 0 | 109.9 | R22 | E20-R22 IonicContact OE1-NH1 2.69Å; E20-R22 IonicContact OE2-NH1 3.73Å; E20-R22 PolarHBondContact OE2-NH1 3.17Å; E20-R22 VanDerWaalsContact OE2-NH1 3.16Å | ||
| 21 | A | 52.3 | Low | 54.3 | Low | 81 Ų | 81 | 147 Ų | 147 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -67.8 | 135.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | M19 | M19-A21 PolarHBondContact O-N 3.2Š| ||
| 22 | R | 51.9 | Low | 52.8 | Low | 197 Ų | 197 | 145.3 Ų | 145.3 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | 167 | 117 | 130.7 | 60.5 | -167.6 | -167.8 | -95.8 | -5.6 | 109.6 | E20 | E20-R22 IonicContact OE1-NH1 2.69Å; E20-R22 IonicContact OE2-NH1 3.73Å; E20-R22 PolarHBondContact OE2-NH1 3.17Å; E20-R22 VanDerWaalsContact OE2-NH1 3.16Å | ||
| 23 | E | 45.1 | Very low | 51.8 | Low | 183 Ų | 183 | 146.2 Ų | 146.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | -159.6 | 96.8 | 125.2 | -125.7 | 166.5 | 84.5 | 0 | 0 | 107.7 | V25 | E23-V25 HydrophobicContact CG-CG2 4.42Š| |||
| 24 | E | 46.6 | Very low | 50.3 | Low | 184 Ų | 184 | 143.5 Ų | 143.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -87.1 | 110 | 167.7 | -164.6 | -172.3 | 123 | 0 | 0 | 106.2 | ||||
| 25 | V | 51.1 | Low | 48.9 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | -123.5 | 93.5 | 168.1 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | E23 | E23-V25 HydrophobicContact CG-CG2 4.42Š| ||
| 26 | Q | 40.2 | Very low | 47.4 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | 21.3 | 107.7 | 142.5 | -78.1 | 158 | 61.1 | 0 | 0 | 119.3 | ||||
| 27 | L | 48.6 | Very low | 46.5 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | 37.2 | 99 | 113 | -146.5 | 172.7 | 0 | 0 | 0 | 118.2 | |||||
| 28 | V | 34.8 | Very low | 45.5 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | trans | -175.4 | 134.2 | 132.8 | 89.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 29 | G | 38.3 | Very low | 44.8 | Very low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | 169.8 | 153.6 | 5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 30 | A | 39.4 | Very low | 44.1 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | 57.3 | 127.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 31 | S | 45.2 | Very low | 43.4 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -168.8 | 133.6 | 39.4 | 40.3 | 0 | 0 | 0 | 0 | 109.8 | M33 | S31-M33 PolarHBondContact O-N 3.28Š| ||
| 32 | H | 42.6 | Very low | 43.6 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | -41.5 | 114.1 | 153.1 | 168.9 | -90.3 | 0 | 0 | 0 | 111.8 | ||||
| 33 | M | 46.6 | Very low | 43.5 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -96.3 | 114.3 | 156.1 | -73.9 | -118.1 | 74.1 | 0 | 0 | 107.8 | S31 | S31-M33 PolarHBondContact O-N 3.28Š| ||
| 34 | E | 39.2 | Very low | 43.6 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 59% | 0.593 | 78% | 0.777 | S | S | * | * | trans | -65.7 | 128.6 | 179.5 | -170.1 | -174.3 | 90.7 | 0 | 0 | 111.3 | ||||
| 35 | Q | 41.5 | Very low | 43.9 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | 45.8 | 117.6 | 134.2 | -44.7 | 161.9 | -11.1 | 0 | 0 | 118.9 | ||||
| 36 | K | 38 | Very low | 43.8 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -133.4 | 112.9 | 140.7 | -176.9 | 169.4 | 171.6 | -98.7 | 0 | 109.5 | ||||
| 37 | A | 43.9 | Very low | 44.4 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -55.6 | 133.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 38 | T | 38.3 | Very low | 44.2 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -140.9 | 119 | 139.4 | -154.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 39 | A | 42.9 | Very low | 45 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -65.6 | 136.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | E41 | A39-E41 PolarHBondContact O-N 2.95Š| ||
| 40 | P | 43.2 | Very low | 45.6 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -80.6 | 104.2 | 157.1 | 30.7 | -25.7 | 0 | 0 | 0 | 107.3 | A42 | P40-A42 PolarHBondContact O-N 3.15Å; P40-A42 VanDerWaalsContact O-N 3.15Å | ||
| 41 | E | 40.7 | Very low | 46.4 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -68.6 | 107.5 | 164 | -173.1 | 177.1 | 108.5 | 0 | 0 | 107.7 | A39 | A39-E41 PolarHBondContact O-N 2.95Š| ||
| 42 | A | 57.4 | Low | 46.7 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 123.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | P40 | P40-A42 PolarHBondContact O-N 3.15Å; P40-A42 VanDerWaalsContact O-N 3.15Å |
| 43 | P | 49.2 | Very low | 47.8 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 123.9 | 150.5 | 28 | -26.6 | 0 | 0 | 0 | 109.6 | ||
| 44 | S | 47.7 | Very low | 48.9 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 160.7 | 175 | -56.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 45 | P | 52.1 | Low | 49.9 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 146.8 | -172.8 | 34.1 | -33 | 0 | 0 | 0 | 111.8 | ||
| 46 | P | 49.6 | Very low | 51 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -88.4 | 108 | 151.6 | 30.3 | -26.1 | 0 | 0 | 0 | 109.2 | A48 | P46-A48 PolarHBondContact O-N 3.41Š| ||
| 47 | S | 52.6 | Low | 52.4 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -64.9 | 110.4 | 156.2 | -65.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 48 | A | 45.3 | Very low | 53.3 | Low | 87 Ų | 87 | 121.5 Ų | 121.5 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -127 | 91.7 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | P46 V50 | P46-A48 PolarHBondContact O-N 3.41Å; A48-V50 PolarHBondContact O-N 2.98Å | ||
| 49 | D | 51.6 | Low | 54.2 | Low | 156 Ų | 156 | 121 Ų | 121 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -54.8 | 108.5 | 155.1 | -175.8 | -99.3 | 0 | 0 | 0 | 108.4 | ||||
| 50 | V | 50.4 | Low | 54.1 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -145.7 | 96.5 | 155.4 | -164.6 | 0 | 0 | 0 | 0 | 108.6 | A48 S52 | A48-V50 PolarHBondContact O-N 2.98Å; V50-S52 PolarHBondContact O-N 3.46Å | ||
| 51 | N | 55.8 | Low | 54.6 | Low | 134 Ų | 134 | 122.7 Ų | 122.7 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -35.3 | 116.1 | 156.7 | -175.7 | -61.8 | 0 | 0 | 0 | 113.1 | ||||
| 52 | S | 51.3 | Low | 55.3 | Low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 175.1 | 121.3 | 137.5 | -78.1 | 0 | 0 | 0 | 0 | 111.4 | V50 | V50-S52 PolarHBondContact O-N 3.46Š| ||
| 53 | P | 66.4 | Low | 54.3 | Low | 115 Ų | 115 | 119.9 Ų | 119.9 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 144.5 | 161 | 30.9 | -30.1 | 0 | 0 | 0 | 109.8 | ||
| 54 | P | 69.9 | Low | 53.8 | Low | 113 Ų | 113 | 117.6 Ų | 117.6 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 149.4 | 172.2 | 27.1 | -32.5 | 0 | 0 | 0 | 110.7 | L56 | P54-L56 PolarHBondContact O-N 2.86Š|
| 55 | P | 59.7 | Low | 54 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133 | -174.3 | 26.2 | -33 | 0 | 0 | 0 | 111.7 | ||
| 56 | L | 65.2 | Low | 53.7 | Low | 164 Ų | 164 | 121.9 Ų | 121.9 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 138.2 | 172.7 | -68.9 | 164.5 | 0 | 0 | 0 | 110.3 | P54 | P54-L56 PolarHBondContact O-N 2.86Š|
| 57 | P | 67.2 | Low | 53.8 | Low | 111 Ų | 111 | 124.3 Ų | 124.3 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 149.8 | 172.6 | 29.1 | -33.1 | 0 | 0 | 0 | 111.3 | ||
| 58 | P | 62.1 | Low | 53.8 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 146 | -173.1 | 27.4 | -34.8 | 0 | 0 | 0 | 112.9 | T60 | P58-T60 PolarHBondContact O-N 3.46Š|
| 59 | P | 58.4 | Low | 54.1 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -83.7 | 114.1 | 172.3 | 32.8 | -28.6 | 0 | 0 | 0 | 109.5 | ||||
| 60 | T | 40.7 | Very low | 53.8 | Low | 134 Ų | 134 | 123.3 Ų | 123.3 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -143.8 | 109.4 | 162 | 15.1 | 0 | 0 | 0 | 0 | 110.7 | P58 | P58-T60 PolarHBondContact O-N 3.46Š| ||
| 61 | S | 52.7 | Low | 53.5 | Low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -49.2 | -165.1 | 168.8 | -47.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 62 | P | 55.6 | Low | 53.3 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | -120.5 | 116.5 | -62.5 | 28.9 | -11.4 | 0 | 0 | 0 | 108.1 | |||||
| 63 | G | 37.8 | Very low | 53.2 | Low | 83 Ų | 83 | 125 Ų | 125 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -139.6 | 81.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 64 | G | 38.7 | Very low | 52.8 | Low | 68 Ų | 68 | 127.1 Ų | 127.1 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 82.1 | 132.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | K66 | G64-K66 PolarHBondContact O-N 3.05Š| ||
| 65 | P | 51.8 | Low | 51.8 | Low | 131 Ų | 131 | 126.7 Ų | 126.7 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -73.8 | 110.5 | -179.5 | 31.2 | -29.9 | 0 | 0 | 0 | 108.6 | ||||
| 66 | K | 44.8 | Very low | 51.5 | Low | 179 Ų | 179 | 130.6 Ų | 130.6 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | -93.5 | 94.7 | 157.1 | -150.3 | 175.5 | 176.4 | -178.2 | 0 | 106.7 | G64 L68 | G64-K66 PolarHBondContact O-N 3.05Å; K66-L68 HydrophobicContact CB-CD2 4.02Å; K66-L68 HydrophobicContact CD-CD2 3.69Å; K66-L68 HydrophobicContact CG-CD2 3.61Å; K66-L68 PolarHBondContact O-N 3.3Å | ||
| 67 | E | 52.9 | Low | 50.8 | Low | 175 Ų | 175 | 128.7 Ų | 128.7 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -48.3 | 93 | 152.9 | -69.3 | -174.9 | 93.3 | 0 | 0 | 108 | ||||
| 68 | L | 51.7 | Low | 49.9 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | -108.1 | 90.5 | 141.3 | 9.6 | 154.7 | 0 | 0 | 0 | 102.3 | K66 G70 | K66-L68 HydrophobicContact CB-CD2 4.02Å; K66-L68 HydrophobicContact CD-CD2 3.69Å; K66-L68 HydrophobicContact CG-CD2 3.61Å; K66-L68 PolarHBondContact O-N 3.3Å; L68-G70 PolarHBondContact O-N 3Å | ||
| 69 | E | 52.2 | Low | 49.6 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -49.3 | 74.8 | 149 | -165.8 | -164 | 112.8 | 0 | 0 | 107.5 | Q71 | E69-Q71 HydrophobicContact CG-CG 3.67Å; E69-Q71 PolarHBondContact O-N 2.72Å; E69-Q71 VanDerWaalsContact OE1-CD 3.27Å; E69-Q71 WeakPolarHBondContact OE1-CG 3.38Å; E69-Q71 PolarHBondContact OE1-NE2 3.14Å | ||
| 70 | G | 44.7 | Very low | 49.6 | Very low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 81.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 104.1 | L68 E72 | L68-G70 PolarHBondContact O-N 3Å; G70-E72 PolarHBondContact O-N 3.2Å | ||
| 71 | Q | 44.8 | Very low | 50.1 | Low | 142 Ų | 142 | 132.4 Ų | 132.4 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | trans | -51.3 | 104.8 | 156.5 | -64 | -125.9 | 54.8 | 0 | 0 | 104.1 | E69 P73 | E69-Q71 HydrophobicContact CG-CG 3.67Å; E69-Q71 PolarHBondContact O-N 2.72Å; E69-Q71 VanDerWaalsContact OE1-CD 3.27Å; E69-Q71 WeakPolarHBondContact OE1-CG 3.38Å; E69-Q71 PolarHBondContact OE1-NE2 3.14Å; Q71-P73 VanDerWaalsContact C-N 3.34Å; Q71-P73 WeakPolarHBondContact O-CD 3.17Å | ||
| 72 | E | 50.8 | Low | 50 | Low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -46.9 | 114.4 | 151.7 | -176.2 | -159 | 123.6 | 0 | 0 | 103.4 | G70 E74 | G70-E72 PolarHBondContact O-N 3.2Å; E72-E74 PolarHBondContact O-N 3.37Å | ||
| 73 | P | 49.9 | Very low | 50 | Low | 105 Ų | 105 | 129.5 Ų | 129.5 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -61.8 | 102.3 | 169.2 | 24.5 | -27.9 | 0 | 0 | 0 | 104 | Q71 P75 | Q71-P73 VanDerWaalsContact C-N 3.34Å; Q71-P73 WeakPolarHBondContact O-CD 3.17Å; P73-P75 VanDerWaalsContact O-N 3.11Å | ||
| 74 | E | 56.4 | Low | 51.3 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | -38.3 | 124.8 | 164 | 178.6 | 160.8 | 92.3 | 0 | 0 | 105.3 | E72 R76 | E72-E74 PolarHBondContact O-N 3.37Å; E74-R76 PolarHBondContact O-N 2.86Å | ||
| 75 | P | 50.7 | Low | 53.1 | Low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | trans | -61.3 | 95.1 | -178.4 | 23.8 | -32 | 0 | 0 | 0 | 106.2 | P73 | P73-P75 VanDerWaalsContact O-N 3.11Š| ||
| 76 | R | 52.9 | Low | 54.7 | Low | 209 Ų | 209 | 129 Ų | 129 | 79% | 0.789 | 69% | 0.689 | S | S | * | * | trans | -45 | 132.7 | 168.2 | -56.5 | -171.7 | -82.1 | -179 | -3.8 | 104.2 | E74 T78 | E74-R76 PolarHBondContact O-N 2.86Å; R76-T78 PolarHBondContact O-N 3.08Å; R76-T78 PolarHBondContact O-OG1 3.29Å | ||
| 77 | P | 50.4 | Low | 56.7 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -52.5 | 105.2 | 172.2 | 21.9 | -30.4 | 0 | 0 | 0 | 105 | E79 | P77-E79 PolarHBondContact O-N 3.22Š| ||
| 78 | T | 48.8 | Very low | 58.5 | Low | 121 Ų | 121 | 119.3 Ų | 119.3 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | trans | -61.3 | 114.7 | -175 | -67.3 | 0 | 0 | 0 | 0 | 102.5 | R76 E80 | R76-T78 PolarHBondContact O-N 3.08Å; R76-T78 PolarHBondContact O-OG1 3.29Å; T78-E80 PolarHBondContact O-N 3.44Å | ||
| 79 | E | 54.9 | Low | 60.5 | Low | 179 Ų | 179 | 114.8 Ų | 114.8 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | trans | -40.6 | 117 | 173.9 | -79 | 176.5 | 98.9 | 0 | 0 | 106 | P77 E81 | P77-E79 PolarHBondContact O-N 3.22Å; E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 3.05Å | ||
| 80 | E | 57.7 | Low | 62.4 | Low | 143 Ų | 143 | 113.9 Ų | 113.9 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | trans | -58.2 | 99.6 | -172.9 | -9.3 | -180 | 107.5 | 0 | 0 | 105.9 | T78 R101 | T78-E80 PolarHBondContact O-N 3.44Å; E80-R101 IonicContact OE2-NH1 3.08Å; E80-R101 PolarHBondContact OE2-NH1 3.48Å; E80-R101 VanDerWaalsContact OE2-NH1 3.08Å | ||
| 81 | E | 52.5 | Low | 64.8 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 54% | 0.542 | 62% | 0.624 | S | S | . | * | trans | -55.3 | 130.9 | -177.1 | -144.8 | -69.6 | 145 | 0 | 0 | 105.4 | E79 G83 S84 | E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 3.05Å; E81-G83 PolarHBondContact O-N 2.82Å; E81-G83 PolarHBondContact OE2-N 2.88Å; E81-S84 PolarHBondContact O-N 2.99Å; E81-S84 PolarHBondContact O-OG 3.07Å | ||
| 82 | P | 50.3 | Low | 67.2 | Low | 122 Ų | 122 | 108.2 Ų | 108.2 | 79% | 0.792 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -4.2 | -175.4 | 18.6 | -31.1 | 0 | 0 | 0 | 114.6 | ||
| 83 | G | 55.6 | Low | 69.3 | Low | 57 Ų | 57 | 103.1 Ų | 103.1 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 3.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | E81 P85 | E81-G83 PolarHBondContact O-N 2.82Å; E81-G83 PolarHBondContact OE2-N 2.88Å; G83-P85 WeakPolarHBondContact O-CD 3.2Å |
| 84 | S | 65.1 | Low | 71.3 | Confident | 60 Ų | 60 | 102 Ų | 102 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 120.4 | -179 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | E81 W86 | E81-S84 PolarHBondContact O-N 2.99Å; E81-S84 PolarHBondContact O-OG 3.07Å; S84-W86 PolarHBondContact O-N 2.81Å |
| 85 | P | 76.5 | Confident | 73 | Confident | 118 Ų | 118 | 95.4 Ų | 95.4 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 128.2 | 178.4 | 24.4 | -31 | 0 | 0 | 0 | 108.7 | G83 S87 | G83-P85 WeakPolarHBondContact O-CD 3.2Å; P85-S87 PolarHBondContact O-N 3.15Å; P85-S87 VanDerWaalsContact O-N 3.17Å |
| 86 | W | 85.2 | Confident | 75.1 | Confident | 95 Ų | 95 | 95.5 Ų | 95.5 | 36% | 0.36 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 122.2 | 177.3 | 170.2 | 17.9 | 0 | 0 | 0 | 109.4 | S84 G88 L92 E93 P94 I103 | S84-W86 PolarHBondContact O-N 2.81Å; W86-G88 VanDerWaalsContact CE2-CA 3.4Å; W86-G88 VanDerWaalsContact NE1-N 3.13Å; W86-G88 PolarHBondContact O-N 3.17Å; W86-L92 HydrophobicContact CH2-CB 3.43Å; W86-L92 VanDerWaalsContact CH2-CB 3.43Å; W86-L92 HydrophobicContact CH2-CD1 3.91Å; W86-L92 HydrophobicContact CH2-CG 4.32Å; W86-L92 HydrophobicContact CZ2-CB 4.23Å; W86-L92 HydrophobicContact CZ2-CD1 4.2Å; W86-L92 HydrophobicContact CZ3-CB 4.01Å; W86-E93 VanDerWaalsContact CZ3-C 3.41Å; W86-P94 HydrophobicContact CB-CB 4.43Å; W86-P94 HydrophobicContact CB-CG 4.06Å; W86-P94 HydrophobicContact CE3-CB 3.64Å; W86-P94 VanDerWaalsContact CE3-CD 3.45Å; W86-P94 HydrophobicContact CE3-CG 3.82Å; W86-P94 VanDerWaalsContact CE3-N 3.34Å; W86-P94 HydrophobicContact CZ3-CB 4.41Å; W86-I103 HydrophobicContact CD2-CD1 4.09Å; W86-I103 HydrophobicContact CE3-CD1 3.37Å; W86-I103 HydrophobicContact CE3-CG1 4.2Å; W86-I103 HydrophobicContact CH2-CB 3.83Å; W86-I103 HydrophobicContact CH2-CD1 3.57Å; W86-I103 HydrophobicContact CH2-CG1 3.39Å; W86-I103 HydrophobicContact CH2-CG2 3.21Å; W86-I103 HydrophobicContact CZ2-CD1 4.18Å; W86-I103 HydrophobicContact CZ2-CG1 4.06Å; W86-I103 HydrophobicContact CZ2-CG2 4.32Å; W86-I103 HydrophobicContact CZ3-CB 3.87Å; W86-I103 HydrophobicContact CZ3-CD1 3.08Å; W86-I103 HydrophobicContact CZ3-CG1 3.45Å; W86-I103 VanDerWaalsContact CZ3-CG1 3.45Å; W86-I103 HydrophobicContact CZ3-CG2 3.56Å |
| 87 | S | 86.4 | Confident | 77 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 87% | 0.874 | 52% | 0.521 | S | S | * | . | trans | -69.5 | 35.8 | 171.5 | -43.4 | 0 | 0 | 0 | 0 | 114.5 | P85 | P85-S87 PolarHBondContact O-N 3.15Å; P85-S87 VanDerWaalsContact O-N 3.17Å | ||
| 88 | G | 90.6 | Very high | 79.1 | Confident | 25 Ų | 25 | 91.1 Ų | 91.1 | 26% | 0.258 | 52% | 0.522 | S | S | . | . | trans | -86.2 | 163.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W86 | W86-G88 VanDerWaalsContact CE2-CA 3.4Å; W86-G88 VanDerWaalsContact NE1-N 3.13Å; W86-G88 PolarHBondContact O-N 3.17Å | ||
| 89 | P | 94 | Very high | 81.2 | Confident | 37 Ų | 37 | 88.9 Ų | 88.9 | 24% | 0.24 | 52% | 0.523 | C | S | . | . | trans | -68.4 | 150.2 | 172.7 | 34.2 | -37.5 | 0 | 0 | 0 | 110.7 | E91 L92 W115 | P89-E91 WeakPolarHBondContact CB-OE2 3.43Å; P89-E91 PolarHBondContact O-N 2.67Å; P89-E91 VanDerWaalsContact O-N 3.08Å; P89-L92 HydrophobicContact CG-CD1 3.89Å; P89-L92 HydrophobicContact CG-CG 4.09Å; P89-L92 PolarHBondContact O-N 2.85Å; P89-W115 HydrophobicContact CB-CG 4.17Å; P89-W115 HydrophobicContact CG-CD2 4Å; P89-W115 HydrophobicContact CG-CG 4.04Å; P89-W115 HydrophobicContact CG-CZ2 4.28Å | ||
| 90 | D | 92.7 | Very high | 83 | Confident | 127 Ų | 127 | 86.1 Ų | 86.1 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.1 | -173.4 | -75.5 | -52.6 | 0 | 0 | 0 | 113.9 | L92 R106 | D90-L92 PolarHBondContact O-N 2.92Å; D90-R106 WeakPolarHBondContact O-CD 3.22Å; D90-R106 PolarHBondContact O-NH1 3.28Å |
| 91 | E | 95.3 | Very high | 84.5 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12 | 175.4 | -55.5 | 82.9 | 178.7 | 0 | 0 | 112.8 | P89 R106 L107 L109 W115 | P89-E91 WeakPolarHBondContact CB-OE2 3.43Å; P89-E91 PolarHBondContact O-N 2.67Å; P89-E91 VanDerWaalsContact O-N 3.08Å; E91-R106 PolarHBondContact O-N 3.28Å; E91-L107 HydrophobicContact CB-CD1 4.4Å; E91-L107 HydrophobicContact CB-CD2 4.06Å; E91-L107 HydrophobicContact CB-CG 4.17Å; E91-L107 HydrophobicContact CG-CD1 4.08Å; E91-L107 HydrophobicContact CG-CD2 4.04Å; E91-L107 HydrophobicContact CG-CG 4.3Å; E91-L109 HydrophobicContact CB-CD2 3.75Å; E91-L109 HydrophobicContact CG-CD2 4.46Å; E91-W115 HydrophobicContact CB-CZ2 4.12Å; E91-W115 PolarHBondContact OE2-NE1 2.69Å |
| 92 | L | 94.8 | Very high | 86.4 | Confident | 35 Ų | 35 | 86.6 Ų | 86.6 | 18% | 0.183 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.1 | -179.2 | -53 | 179.3 | 0 | 0 | 0 | 111.4 | W86 P89 D90 I103 R104 A105 L109 W115 | W86-L92 HydrophobicContact CH2-CB 3.43Å; W86-L92 VanDerWaalsContact CH2-CB 3.43Å; W86-L92 HydrophobicContact CH2-CD1 3.91Å; W86-L92 HydrophobicContact CH2-CG 4.32Å; W86-L92 HydrophobicContact CZ2-CB 4.23Å; W86-L92 HydrophobicContact CZ2-CD1 4.2Å; W86-L92 HydrophobicContact CZ3-CB 4.01Å; P89-L92 HydrophobicContact CG-CD1 3.89Å; P89-L92 HydrophobicContact CG-CG 4.09Å; P89-L92 PolarHBondContact O-N 2.85Å; D90-L92 PolarHBondContact O-N 2.92Å; L92-I103 HydrophobicContact CB-CG2 4.12Å; L92-I103 HydrophobicContact CD1-CG2 4.21Å; L92-I103 HydrophobicContact CD2-CG2 4.46Å; L92-R104 CarbonylContact C-O 3.57Å; L92-R104 WeakPolarHBondContact CA-O 3.38Å; L92-A105 HydrophobicContact CD2-CB 4.17Å; L92-L109 HydrophobicContact CD2-CD1 4.24Å; L92-L109 HydrophobicContact CD2-CD2 4.5Å; L92-W115 HydrophobicContact CD1-CH2 4.03Å; L92-W115 HydrophobicContact CD1-CZ2 4.37Å; L92-W115 HydrophobicContact CD1-CZ3 4.34Å; L92-W115 HydrophobicContact CD2-CH2 4.05Å; L92-W115 HydrophobicContact CD2-CZ2 4.38Å; L92-W115 HydrophobicContact CG-CH2 4.16Å; L92-W115 HydrophobicContact CG-CZ2 4.21Å |
| 93 | E | 94.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 85.4 Ų | 85.4 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.2 | 178.1 | 56.4 | -173.8 | 161.1 | 0 | 0 | 112 | W86 V95 I103 R104 R106 | W86-E93 VanDerWaalsContact CZ3-C 3.41Å; E93-V95 HydrophobicContact CG-CG1 3.95Å; E93-I103 WeakPolarHBondContact O-CA 3.5Å; E93-R104 HydrophobicContact CG-CB 3.97Å; E93-R104 WeakPolarHBondContact CG-O 3.13Å; E93-R104 PolarHBondContact N-O 3.06Å; E93-R104 PolarHBondContact O-N 3.17Å; E93-R104 IonicContact OE1-CZ 3.16Å; E93-R104 IonicContact OE1-NE 2.67Å; E93-R104 PolarHBondContact OE1-NE 2.92Å; E93-R104 IonicContact OE1-NH2 3.53Å; E93-R104 PolarHBondContact OE1-NH2 2.97Å; E93-R104 IonicContact OE2-NH2 3.08Å; E93-R106 HydrophobicContact CB-CG 3.54Å; E93-R106 VanDerWaalsContact CD-CG 3.5Å; E93-R106 HydrophobicContact CG-CG 3.55Å |
| 94 | P | 92.4 | Very high | 90.4 | Very high | 82 Ų | 82 | 88.9 Ų | 88.9 | 53% | 0.532 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.3 | 168.8 | 24.8 | -22.7 | 0 | 0 | 0 | 108.5 | W86 R102 | W86-P94 HydrophobicContact CB-CB 4.43Å; W86-P94 HydrophobicContact CB-CG 4.06Å; W86-P94 HydrophobicContact CE3-CB 3.64Å; W86-P94 VanDerWaalsContact CE3-CD 3.45Å; W86-P94 HydrophobicContact CE3-CG 3.82Å; W86-P94 VanDerWaalsContact CE3-N 3.34Å; W86-P94 HydrophobicContact CZ3-CB 4.41Å; P94-R102 WeakPolarHBondContact CA-O 3.43Å |
| 95 | V | 92.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 88.1 Ų | 88.1 | 14% | 0.139 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.2 | 174.7 | -58 | 0 | 0 | 0 | 0 | 109.6 | E93 Q97 R102 R104 | E93-V95 HydrophobicContact CG-CG1 3.95Å; V95-Q97 HydrophobicContact CG2-CG 4.22Å; V95-R102 HydrophobicContact CG2-CB 3.86Å; V95-R102 PolarHBondContact N-O 2.83Å; V95-R102 PolarHBondContact O-N 2.71Å; V95-R102 VanDerWaalsContact O-O 3.12Å; V95-R104 HydrophobicContact CG1-CB 4.05Å; V95-R104 HydrophobicContact CG2-CB 4.18Å |
| 96 | V | 93.3 | Very high | 92.8 | Very high | 105 Ų | 105 | 89.3 Ų | 89.3 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.8 | 169.5 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | Q100 R101 | V96-Q100 WeakPolarHBondContact CA-O 3.42Å; V96-R101 HydrophobicContact CG2-CG 4.33Å |
| 97 | Q | 94.7 | Very high | 93.2 | Very high | 85 Ų | 85 | 89.3 Ų | 89.3 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.6 | 175.9 | -67.2 | -176.9 | 0.9 | 0 | 0 | 108.7 | V95 G99 Q100 | V95-Q97 HydrophobicContact CG2-CG 4.22Å; Q97-G99 PolarHBondContact O-N 2.83Å; Q97-Q100 PolarHBondContact N-O 3.45Å; Q97-Q100 WeakPolarHBondContact O-CA 3.49Å; Q97-Q100 WeakPolarHBondContact O-CB 3.48Å; Q97-Q100 PolarHBondContact O-N 2.74Å |
| 98 | D | 94.1 | Very high | 93.7 | Very high | 158 Ų | 158 | 89 Ų | 89 | 85% | 0.845 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 35.9 | -177.6 | -49.6 | -57.7 | 0 | 0 | 0 | 113.4 | Q100 | D98-Q100 PolarHBondContact O-N 2.61Š|
| 99 | G | 91.4 | Very high | 94 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 76% | 0.763 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 2.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q97 | Q97-G99 PolarHBondContact O-N 2.83Š|
| 100 | Q | 93.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 93 Ų | 93 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.5 | -179.5 | -165.7 | 157.6 | -13.9 | 0 | 0 | 111.9 | V96 Q97 D98 R102 | V96-Q100 WeakPolarHBondContact CA-O 3.42Å; Q97-Q100 PolarHBondContact N-O 3.45Å; Q97-Q100 WeakPolarHBondContact O-CA 3.49Å; Q97-Q100 WeakPolarHBondContact O-CB 3.48Å; Q97-Q100 PolarHBondContact O-N 2.74Å; D98-Q100 PolarHBondContact O-N 2.61Å; Q100-R102 PolarHBondContact O-N 2.66Å |
| 101 | R | 90.4 | Very high | 94.3 | Very high | 153 Ų | 153 | 94.3 Ų | 94.3 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124.7 | 172.6 | -64.2 | 170.7 | 84.6 | -157.6 | 8.2 | 109.1 | E80 V96 | E80-R101 IonicContact OE2-NH1 3.08Å; E80-R101 PolarHBondContact OE2-NH1 3.48Å; E80-R101 VanDerWaalsContact OE2-NH1 3.08Å; V96-R101 HydrophobicContact CG2-CG 4.33Å |
| 102 | R | 92.8 | Very high | 94.3 | Very high | 115 Ų | 115 | 95.1 Ų | 95.1 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 165.1 | 179.8 | -63.4 | 179.3 | -176.8 | -119.9 | 1.3 | 109.4 | P94 V95 Q100 | P94-R102 WeakPolarHBondContact CA-O 3.43Å; V95-R102 HydrophobicContact CG2-CB 3.86Å; V95-R102 PolarHBondContact N-O 2.83Å; V95-R102 PolarHBondContact O-N 2.71Å; V95-R102 VanDerWaalsContact O-O 3.12Å; Q100-R102 PolarHBondContact O-N 2.66Å |
| 103 | I | 93.6 | Very high | 94.4 | Very high | 97 Ų | 97 | 97 Ų | 97 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.5 | 173.6 | -62.9 | -21.2 | 0 | 0 | 0 | 108.4 | W86 L92 E93 | W86-I103 HydrophobicContact CD2-CD1 4.09Å; W86-I103 HydrophobicContact CE3-CD1 3.37Å; W86-I103 HydrophobicContact CE3-CG1 4.2Å; W86-I103 HydrophobicContact CH2-CB 3.83Å; W86-I103 HydrophobicContact CH2-CD1 3.57Å; W86-I103 HydrophobicContact CH2-CG1 3.39Å; W86-I103 HydrophobicContact CH2-CG2 3.21Å; W86-I103 HydrophobicContact CZ2-CD1 4.18Å; W86-I103 HydrophobicContact CZ2-CG1 4.06Å; W86-I103 HydrophobicContact CZ2-CG2 4.32Å; W86-I103 HydrophobicContact CZ3-CB 3.87Å; W86-I103 HydrophobicContact CZ3-CD1 3.08Å; W86-I103 HydrophobicContact CZ3-CG1 3.45Å; W86-I103 VanDerWaalsContact CZ3-CG1 3.45Å; W86-I103 HydrophobicContact CZ3-CG2 3.56Å; L92-I103 HydrophobicContact CB-CG2 4.12Å; L92-I103 HydrophobicContact CD1-CG2 4.21Å; L92-I103 HydrophobicContact CD2-CG2 4.46Å; E93-I103 WeakPolarHBondContact O-CA 3.5Å |
| 104 | R | 95.4 | Very high | 94.4 | Very high | 131 Ų | 131 | 99.6 Ų | 99.6 | 49% | 0.494 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 151.9 | 171.4 | -170.5 | 175.6 | 69.3 | -170.5 | -0.2 | 109.7 | L92 E93 V95 | L92-R104 CarbonylContact C-O 3.57Å; L92-R104 WeakPolarHBondContact CA-O 3.38Å; E93-R104 HydrophobicContact CG-CB 3.97Å; E93-R104 WeakPolarHBondContact CG-O 3.13Å; E93-R104 PolarHBondContact N-O 3.06Å; E93-R104 PolarHBondContact O-N 3.17Å; E93-R104 IonicContact OE1-CZ 3.16Å; E93-R104 IonicContact OE1-NE 2.67Å; E93-R104 PolarHBondContact OE1-NE 2.92Å; E93-R104 IonicContact OE1-NH2 3.53Å; E93-R104 PolarHBondContact OE1-NH2 2.97Å; E93-R104 IonicContact OE2-NH2 3.08Å; V95-R104 HydrophobicContact CG1-CB 4.05Å; V95-R104 HydrophobicContact CG2-CB 4.18Å |
| 105 | A | 96.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 100 Ų | 100 | 36% | 0.355 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.3 | 128.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L92 L107 L109 | L92-A105 HydrophobicContact CD2-CB 4.17Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 WeakPolarHBondContact CB-O 3.42Å; A105-L109 HydrophobicContact CB-CD1 4.26Å; A105-L109 HydrophobicContact CB-CG 4.18Å |
| 106 | R | 95.3 | Very high | 94.6 | Very high | 144 Ų | 144 | 101.3 Ų | 101.3 | 54% | 0.543 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -73.3 | -28.4 | 176.2 | -69.9 | 172.7 | 64 | -164.3 | 8.3 | 112 | D90 E91 E93 | D90-R106 WeakPolarHBondContact O-CD 3.22Å; D90-R106 PolarHBondContact O-NH1 3.28Å; E91-R106 PolarHBondContact O-N 3.28Å; E93-R106 HydrophobicContact CB-CG 3.54Å; E93-R106 VanDerWaalsContact CD-CG 3.5Å; E93-R106 HydrophobicContact CG-CG 3.55Å |
| 107 | L | 94.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 102.8 Ų | 102.8 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -139.1 | 167.3 | -179.6 | 56 | 119.2 | 0 | 0 | 0 | 110.9 | E91 A105 L109 | E91-L107 HydrophobicContact CB-CD1 4.4Å; E91-L107 HydrophobicContact CB-CD2 4.06Å; E91-L107 HydrophobicContact CB-CG 4.17Å; E91-L107 HydrophobicContact CG-CD1 4.08Å; E91-L107 HydrophobicContact CG-CD2 4.04Å; E91-L107 HydrophobicContact CG-CG 4.3Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 WeakPolarHBondContact CB-O 3.42Å; L107-L109 PolarHBondContact O-N 2.8Å |
| 108 | S | 96.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 106 Ų | 106 | 83% | 0.825 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 119.9 | 174.5 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 109 | L | 96.1 | Very high | 94.3 | Very high | 75 Ų | 75 | 108 Ų | 108 | 39% | 0.393 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 124.8 | 178.1 | -55.2 | 175.8 | 0 | 0 | 0 | 109.9 | E91 L92 A105 L107 L113 W115 | E91-L109 HydrophobicContact CB-CD2 3.75Å; E91-L109 HydrophobicContact CG-CD2 4.46Å; L92-L109 HydrophobicContact CD2-CD1 4.24Å; L92-L109 HydrophobicContact CD2-CD2 4.5Å; A105-L109 HydrophobicContact CB-CD1 4.26Å; A105-L109 HydrophobicContact CB-CG 4.18Å; L107-L109 PolarHBondContact O-N 2.8Å; L109-L113 HydrophobicContact CB-CD2 4.37Å; L109-L113 HydrophobicContact CD2-CD2 3.87Å; L109-W115 HydrophobicContact CD1-CH2 3.73Å; L109-W115 HydrophobicContact CD1-CZ2 4.46Å; L109-W115 HydrophobicContact CD2-CH2 3.96Å; L109-W115 HydrophobicContact CD2-CZ2 3.83Å; L109-W115 HydrophobicContact CG-CH2 4.45Å |
| 110 | A | 96.5 | Very high | 94.4 | Very high | 71 Ų | 71 | 108.3 Ų | 108.3 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 144.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G112 L113 | A110-G112 PolarHBondContact O-N 2.8Å; A110-L113 VanDerWaalsContact O-CB 3.22Å; A110-L113 WeakPolarHBondContact O-CB 3.09Å; A110-L113 PolarHBondContact O-N 3.08Å |
| 111 | T | 97.5 | Very high | 94.4 | Very high | 155 Ų | 155 | 107.3 Ų | 107.3 | 95% | 0.951 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 128.6 | 170.1 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | L113 | T111-L113 VanDerWaalsContact C-N 3.33Š|
| 112 | G | 96.1 | Very high | 94.4 | Very high | 72 Ų | 72 | 106.6 Ų | 106.6 | 74% | 0.742 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.2 | -0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A110 S114 | A110-G112 PolarHBondContact O-N 2.8Å; G112-S114 PolarHBondContact O-N 3.29Å |
| 113 | L | 95.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 109.7 Ų | 109.7 | 39% | 0.393 | 64% | 0.644 | S | S | . | * | trans | -59 | 134.9 | 165.7 | -177.8 | 67.2 | 0 | 0 | 0 | 109.2 | L109 A110 T111 W115 | L109-L113 HydrophobicContact CB-CD2 4.37Å; L109-L113 HydrophobicContact CD2-CD2 3.87Å; A110-L113 VanDerWaalsContact O-CB 3.22Å; A110-L113 WeakPolarHBondContact O-CB 3.09Å; A110-L113 PolarHBondContact O-N 3.08Å; T111-L113 VanDerWaalsContact C-N 3.33Å; L113-W115 HydrophobicContact CD2-CH2 4.48Å; L113-W115 HydrophobicContact CD2-CZ2 3.82Å | ||
| 114 | S | 95.4 | Very high | 94.3 | Very high | 100 Ų | 100 | 111 Ų | 111 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | trans | -136.6 | 144.7 | -179.6 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | G112 | G112-S114 PolarHBondContact O-N 3.29Š| ||
| 115 | W | 95.1 | Very high | 94 | Very high | 90 Ų | 90 | 114.5 Ų | 114.5 | 34% | 0.341 | 67% | 0.67 | S | S | . | * | trans | -117.9 | 146.6 | 171.5 | -54 | -76.9 | 0 | 0 | 0 | 108.8 | P89 E91 L92 L109 L113 F118 | P89-W115 HydrophobicContact CB-CG 4.17Å; P89-W115 HydrophobicContact CG-CD2 4Å; P89-W115 HydrophobicContact CG-CG 4.04Å; P89-W115 HydrophobicContact CG-CZ2 4.28Å; E91-W115 HydrophobicContact CB-CZ2 4.12Å; E91-W115 PolarHBondContact OE2-NE1 2.69Å; L92-W115 HydrophobicContact CD1-CH2 4.03Å; L92-W115 HydrophobicContact CD1-CZ2 4.37Å; L92-W115 HydrophobicContact CD1-CZ3 4.34Å; L92-W115 HydrophobicContact CD2-CH2 4.05Å; L92-W115 HydrophobicContact CD2-CZ2 4.38Å; L92-W115 HydrophobicContact CG-CH2 4.16Å; L92-W115 HydrophobicContact CG-CZ2 4.21Å; L109-W115 HydrophobicContact CD1-CH2 3.73Å; L109-W115 HydrophobicContact CD1-CZ2 4.46Å; L109-W115 HydrophobicContact CD2-CH2 3.96Å; L109-W115 HydrophobicContact CD2-CZ2 3.83Å; L109-W115 HydrophobicContact CG-CH2 4.45Å; L113-W115 HydrophobicContact CD2-CH2 4.48Å; L113-W115 HydrophobicContact CD2-CZ2 3.82Å; W115-F118 VanDerWaalsContact C-CE2 3.45Å; W115-F118 HydrophobicContact CB-CE2 3.87Å; W115-F118 HydrophobicContact CB-CZ 3.5Å; W115-F118 WeakPolarHBondContact O-CE2 3.5Å | ||
| 116 | G | 92.7 | Very high | 93.1 | Very high | 52 Ų | 52 | 117.5 Ų | 117.5 | 54% | 0.536 | 70% | 0.695 | S | S | . | * | trans | 106.8 | 174.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 117 | P | 92.7 | Very high | 91.8 | Very high | 135 Ų | 135 | 114.4 Ų | 114.4 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | cis | -75.7 | 145.6 | 32.4 | 29 | -36.6 | 0 | 0 | 0 | 114.9 | ||||
| 118 | F | 90.9 | Very high | 90.3 | Very high | 154 Ų | 154 | 114.7 Ų | 114.7 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | trans | -106.5 | 140.2 | 173.5 | -60.9 | -75.9 | 0 | 0 | 0 | 110.3 | W115 | W115-F118 VanDerWaalsContact C-CE2 3.45Å; W115-F118 HydrophobicContact CB-CE2 3.87Å; W115-F118 HydrophobicContact CB-CZ 3.5Å; W115-F118 WeakPolarHBondContact O-CE2 3.5Å | ||
| 119 | H | 92.3 | Very high | 88.8 | Confident | 200 Ų | 200 | 114.3 Ų | 114.3 | 93% | 0.926 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -69.9 | 142.1 | 172.8 | -66.2 | -76 | 0 | 0 | 0 | 110.8 | ||
| 120 | G | 93 | Very high | 87.1 | Confident | 79 Ų | 79 | 121.3 Ų | 121.3 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 139.2 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 121 | S | 93 | Very high | 85.2 | Confident | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -122.2 | 130.6 | 175.6 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 122 | V | 91.2 | Very high | 82.9 | Confident | 138 Ų | 138 | 123 Ų | 123 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 117.5 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 123 | Q | 92.6 | Very high | 80.7 | Confident | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 116.7 | 174.4 | -62.8 | -178.3 | 34.3 | 0 | 0 | 109.7 | ||
| 124 | T | 91.6 | Very high | 78.4 | Confident | 124 Ų | 124 | 128.9 Ų | 128.9 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 127.6 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | A126 | T124-A126 PolarHBondContact O-N 2.77Š|
| 125 | R | 88.9 | Confident | 76 | Confident | 205 Ų | 205 | 132.6 Ų | 132.6 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.3 | 172.5 | -130.5 | 178 | -173.6 | -98 | 0.9 | 109.1 | S127 | R125-S127 PolarHBondContact O-N 2.81Š|
| 126 | A | 78.1 | Confident | 74 | Confident | 107 Ų | 107 | 139.4 Ų | 139.4 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | trans | -77.3 | -4.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T124 | T124-A126 PolarHBondContact O-N 2.77Š| ||
| 127 | S | 67.3 | Low | 72 | Confident | 79 Ų | 79 | 146 Ų | 146 | 55% | 0.552 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -116.4 | 142.1 | -178.1 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | R125 | R125-S127 PolarHBondContact O-N 2.81Š|
| 128 | S | 63.8 | Low | 70.1 | Confident | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -49.1 | 132.5 | 168.7 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | R130 | S128-R130 PolarHBondContact O-N 3.45Š| ||
| 129 | P | 64.7 | Low | 68.2 | Low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -70 | 70.7 | 175.2 | 30.8 | -34.1 | 0 | 0 | 0 | 108.4 | Q131 | P129-Q131 PolarHBondContact O-N 3.36Š| ||
| 130 | R | 59.6 | Low | 66.4 | Low | 222 Ų | 222 | 148.3 Ų | 148.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -70.7 | 99.4 | 179 | -169.8 | 175.7 | -177.9 | 180 | 0.3 | 107.2 | S128 | S128-R130 PolarHBondContact O-N 3.45Š| ||
| 131 | Q | 57.7 | Low | 64.6 | Low | 160 Ų | 160 | 151.6 Ų | 151.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 61.1 | 77.1 | 158 | -53.5 | -63.7 | -31.9 | 0 | 0 | 114.8 | P129 | P129-Q131 PolarHBondContact O-N 3.36Š| ||
| 132 | A | 48 | Very low | 62.7 | Low | 101 Ų | 101 | 153.6 Ų | 153.6 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -120.7 | 105.1 | 139.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 133 | E | 49.5 | Very low | 61.2 | Low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -60.1 | 167.1 | 179.8 | -105 | -172.8 | 102.8 | 0 | 0 | 113.8 | ||
| 134 | P | 47.8 | Very low | 59.5 | Low | 100 Ų | 100 | 154.2 Ų | 154.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | cis | -109.8 | 140.8 | -16.3 | 34 | -21.1 | 0 | 0 | 0 | 110.2 | R136 | P134-R136 PolarHBondContact O-N 3.04Š| ||
| 135 | M | 45.2 | Very low | 57.6 | Low | 177 Ų | 177 | 153.3 Ų | 153.3 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -55.7 | 110 | 165.7 | -62.9 | 168.9 | 76.5 | 0 | 0 | 107.8 | K137 | M135-K137 VanDerWaalsContact C-N 3.27Å; M135-K137 PolarHBondContact O-N 2.95Å | ||
| 136 | R | 54.6 | Low | 56.1 | Low | 234 Ų | 234 | 151.7 Ų | 151.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 103.3 | 157.4 | -70 | -177.7 | -178.3 | 126.6 | -0.5 | 104.8 | P134 L138 | P134-R136 PolarHBondContact O-N 3.04Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3.09Å | ||
| 137 | K | 49.3 | Very low | 55.1 | Low | 190 Ų | 190 | 150.4 Ų | 150.4 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -59.7 | 94.7 | 177.9 | -73.4 | 177.1 | -178.4 | 177.7 | 0 | 107 | M135 R139 | M135-K137 VanDerWaalsContact C-N 3.27Å; M135-K137 PolarHBondContact O-N 2.95Å; K137-R139 PolarHBondContact O-N 2.83Å | ||
| 138 | L | 53.6 | Low | 54.8 | Low | 168 Ų | 168 | 155.7 Ų | 155.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -65.9 | 91.2 | 162.9 | -66.1 | 176.3 | 0 | 0 | 0 | 105.2 | R136 L140 | R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3.09Å; L138-L140 PolarHBondContact O-N 2.97Å | ||
| 139 | R | 50.5 | Low | 55 | Low | 207 Ų | 207 | 158.1 Ų | 158.1 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -65.7 | 107.7 | 166.7 | -77.8 | -145.1 | -158.6 | -174 | 8.7 | 106.1 | K137 Q141 | K137-R139 PolarHBondContact O-N 2.83Å; R139-Q141 PolarHBondContact O-N 2.94Å | ||
| 140 | L | 55.1 | Low | 54.7 | Low | 163 Ų | 163 | 158 Ų | 158 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 106.1 | 159.8 | -164.9 | 70.4 | 0 | 0 | 0 | 105.3 | L138 D142 | L138-L140 PolarHBondContact O-N 2.97Å; L140-D142 PolarHBondContact O-N 2.71Å; L140-D142 VanDerWaalsContact O-N 3.09Å | ||
| 141 | Q | 55.8 | Low | 54.8 | Low | 147 Ų | 147 | 159 Ų | 159 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 109.1 | 172.6 | -23.8 | -76.4 | 23.8 | 0 | 0 | 105 | R139 V143 | R139-Q141 PolarHBondContact O-N 2.94Å; Q141-V143 PolarHBondContact O-N 2.96Å | ||
| 142 | D | 52.1 | Low | 55.3 | Low | 143 Ų | 143 | 158.1 Ų | 158.1 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -54.7 | 107.3 | 162.4 | -107.3 | -66.9 | 0 | 0 | 0 | 107 | L140 K144 | L140-D142 PolarHBondContact O-N 2.71Å; L140-D142 VanDerWaalsContact O-N 3.09Å; D142-K144 PolarHBondContact O-N 2.9Å | ||
| 143 | V | 59.6 | Low | 56.2 | Low | 135 Ų | 135 | 162.3 Ų | 162.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -66.5 | 92.5 | 170.2 | -78 | 0 | 0 | 0 | 0 | 106.9 | Q141 S145 | Q141-V143 PolarHBondContact O-N 2.96Å; V143-S145 PolarHBondContact O-N 3.27Å | ||
| 144 | K | 56 | Low | 56.9 | Low | 196 Ų | 196 | 162.7 Ų | 162.7 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -55.8 | 115.9 | 176.5 | -73.1 | 175.3 | 177.8 | 179.2 | 0 | 109.2 | D142 | D142-K144 PolarHBondContact O-N 2.9Š| ||
| 145 | S | 52 | Low | 57.3 | Low | 105 Ų | 105 | 166 Ų | 166 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | 55.8 | 96.2 | 149 | -158.2 | 0 | 0 | 0 | 0 | 115.8 | V143 A147 | V143-S145 PolarHBondContact O-N 3.27Å; S145-A147 PolarHBondContact O-N 3.28Å | ||
| 146 | I | 58.3 | Low | 58 | Low | 171 Ų | 171 | 168.1 Ų | 168.1 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -57.3 | 113.6 | 154.7 | -66.9 | 167.7 | 0 | 0 | 0 | 106.3 | Q148 | I146-Q148 PolarHBondContact O-N 2.7Å; I146-Q148 VanDerWaalsContact O-N 3.15Å | ||
| 147 | A | 57.9 | Low | 58.1 | Low | 79 Ų | 79 | 166.3 Ų | 166.3 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | trans | -53.3 | 122.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S145 I149 | S145-A147 PolarHBondContact O-N 3.28Å; A147-I149 PolarHBondContact O-N 2.92Å | ||
| 148 | Q | 59.5 | Low | 58.4 | Low | 190 Ų | 190 | 169.6 Ų | 169.6 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -64.2 | 107.9 | 174.7 | -174.8 | 165 | -44.6 | 0 | 0 | 108.5 | I146 P150 | I146-Q148 PolarHBondContact O-N 2.7Å; I146-Q148 VanDerWaalsContact O-N 3.15Å; Q148-P150 WeakPolarHBondContact O-CD 3.43Å | ||
| 149 | I | 68.4 | Low | 58.7 | Low | 151 Ų | 151 | 169.7 Ų | 169.7 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | trans | -59.9 | 122.3 | 174.5 | -58.3 | 171.3 | 0 | 0 | 0 | 107.6 | A147 R151 | A147-I149 PolarHBondContact O-N 2.92Å; I149-R151 PolarHBondContact O-N 2.78Å | ||
| 150 | P | 58.9 | Low | 59.1 | Low | 108 Ų | 108 | 167.7 Ų | 167.7 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -66.7 | 122.6 | 175.8 | 24.1 | -29 | 0 | 0 | 0 | 109.1 | Q148 I152 | Q148-P150 WeakPolarHBondContact O-CD 3.43Å; P150-I152 PolarHBondContact O-N 3.07Å | ||
| 151 | R | 60.8 | Low | 59.3 | Low | 243 Ų | 243 | 167.9 Ų | 167.9 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -61.3 | 105.7 | 169.1 | -90.7 | -171.7 | 151 | 118.2 | -2.1 | 108.5 | I149 K153 | I149-R151 PolarHBondContact O-N 2.78Å; R151-K153 PolarHBondContact O-N 2.87Å | ||
| 152 | I | 68.7 | Low | 59.5 | Low | 142 Ų | 142 | 169.2 Ų | 169.2 | 73% | 0.728 | 83% | 0.825 | S | S | * | * | trans | -60.1 | 118.5 | 163.5 | 50.7 | 165.6 | 0 | 0 | 0 | 107.9 | P150 Q154 | P150-I152 PolarHBondContact O-N 3.07Å; I152-Q154 PolarHBondContact O-N 2.94Å; I152-Q154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | K | 66.2 | Low | 60 | Low | 188 Ų | 188 | 170.8 Ų | 170.8 | 82% | 0.817 | 83% | 0.829 | S | S | * | * | trans | -70.6 | 106.8 | 166.5 | -72 | -167.2 | 177.1 | -172.4 | 0 | 106.2 | R151 Q155 | R151-K153 PolarHBondContact O-N 2.87Å; K153-Q155 VanDerWaalsContact C-N 3.26Å; K153-Q155 PolarHBondContact O-N 2.83Å | ||
| 154 | Q | 64.2 | Low | 60 | Low | 179 Ų | 179 | 173.2 Ų | 173.2 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -58.5 | 95.3 | 162.6 | -72.1 | -81.5 | 65.2 | 0 | 0 | 107 | I152 | I152-Q154 PolarHBondContact O-N 2.94Å; I152-Q154 VanDerWaalsContact O-N 3.14Å | ||
| 155 | Q | 57.1 | Low | 60.3 | Low | 171 Ų | 171 | 171.6 Ų | 171.6 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -98.4 | 115.5 | 168.6 | -89.2 | -155.5 | -20.2 | 0 | 0 | 108.7 | K153 | K153-Q155 VanDerWaalsContact C-N 3.26Å; K153-Q155 PolarHBondContact O-N 2.83Å | ||
| 156 | R | 58.9 | Low | 60.9 | Low | 220 Ų | 220 | 176.7 Ų | 176.7 | 83% | 0.83 | 84% | 0.836 | S | S | * | * | trans | 67.1 | 114.6 | 138.6 | -162.9 | -176.4 | -147.4 | -178.4 | 4.9 | 117.1 | ||||
| 157 | E | 56.5 | Low | 61.1 | Low | 196 Ų | 196 | 177.2 Ų | 177.2 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | -132.4 | 133.3 | 124.6 | -154.7 | 166.4 | 93.7 | 0 | 0 | 108.5 | |||||
| 158 | K | 56.6 | Low | 61.4 | Low | 259 Ų | 259 | 186.1 Ų | 186.1 | 100% | 1.126 | 85% | 0.849 | S | S | * | * | trans | -123.3 | 0 | 168.1 | -106.8 | -164.3 | -179 | -168.3 | 0 | 105.3 |
Retrieved 158 of 158 residues in 157.5 ms
(Link to these results)