| 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 | 47 | Very low | 54 | Low | 240 Ų | 240 | 157.5 Ų | 157.5 | 100% | 1.182 | 81% | 0.805 | S | S | * | * | 0 | 91.4 | 0 | -153.7 | 87.5 | 177 | 0 | 0 | 103.7 | |||||
| 2 | E | 58.8 | Low | 54.1 | Low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 133.9 | -174.6 | -74.7 | 171.3 | 169.4 | 0 | 0 | 109 | ||||
| 3 | E | 54.5 | Low | 54.3 | Low | 196 Ų | 196 | 152.7 Ų | 152.7 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 127.9 | -177.5 | -68 | 168.2 | 166.3 | 0 | 0 | 109.6 | ||||
| 4 | F | 56.3 | Low | 54.8 | Low | 179 Ų | 179 | 154.1 Ų | 154.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -90.9 | 107.6 | 173.5 | -170.6 | -95.3 | 0 | 0 | 0 | 108.4 | S6 | F4-S6 PolarHBondContact O-N 3.37Š| ||
| 5 | D | 59.1 | Low | 55.2 | Low | 128 Ų | 128 | 152.1 Ų | 152.1 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -66.4 | 109.1 | 171.2 | -163.3 | 12.4 | 0 | 0 | 0 | 107.8 | E7 | D5-E7 PolarHBondContact O-N 3.48Š| ||
| 6 | S | 54.6 | Low | 55.7 | Low | 94 Ų | 94 | 152.5 Ų | 152.5 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -85.6 | 95.8 | 178.6 | -58.1 | 0 | 0 | 0 | 0 | 107.3 | F4 D8 | F4-S6 PolarHBondContact O-N 3.37Å; S6-D8 PolarHBondContact O-N 3.29Å | ||
| 7 | E | 53.5 | Low | 56.7 | Low | 142 Ų | 142 | 152.6 Ų | 152.6 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -60.4 | 126.8 | 175.4 | -65.4 | 108.7 | 166.4 | 0 | 0 | 110.8 | D5 F9 | D5-E7 PolarHBondContact O-N 3.48Å; E7-F9 PolarHBondContact O-N 3.23Å | ||
| 8 | D | 48.8 | Very low | 57.7 | Low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -55.6 | 97.5 | 172.8 | -174.5 | 45.3 | 0 | 0 | 0 | 110.8 | S6 S10 | S6-D8 PolarHBondContact O-N 3.29Å; D8-S10 PolarHBondContact O-N 3.28Å; D8-S10 PolarHBondContact OD2-OG 3.16Å | ||
| 9 | F | 49.9 | Very low | 58.4 | Low | 194 Ų | 194 | 151.6 Ų | 151.6 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -69.2 | 77.1 | 159.9 | -78.4 | -87.2 | 0 | 0 | 0 | 108.1 | E7 T11 | E7-F9 PolarHBondContact O-N 3.23Å; F9-T11 VanDerWaalsContact C-N 3.33Å; F9-T11 PolarHBondContact O-N 3.36Å; F9-T11 PolarHBondContact O-OG1 3.46Å | ||
| 10 | S | 53.7 | Low | 58.4 | Low | 93 Ų | 93 | 148.6 Ų | 148.6 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -54.3 | 98.7 | 166.6 | -95 | 0 | 0 | 0 | 0 | 108.4 | D8 S12 | D8-S10 PolarHBondContact O-N 3.28Å; D8-S10 PolarHBondContact OD2-OG 3.16Å; S10-S12 PolarHBondContact O-N 3.32Å; S10-S12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | T | 57.6 | Low | 58.5 | Low | 136 Ų | 136 | 145.9 Ų | 145.9 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -72.9 | 99.9 | 168.8 | -50.8 | 0 | 0 | 0 | 0 | 104.6 | F9 E13 | F9-T11 VanDerWaalsContact C-N 3.33Å; F9-T11 PolarHBondContact O-N 3.36Å; F9-T11 PolarHBondContact O-OG1 3.46Å; T11-E13 PolarHBondContact O-N 3.18Å | ||
| 12 | S | 55.7 | Low | 59.2 | Low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | -64.2 | 108 | -175.8 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | S10 E14 | S10-S12 PolarHBondContact O-N 3.32Å; S10-S12 VanDerWaalsContact O-N 3.12Å; S12-E14 PolarHBondContact O-N 3Å | ||
| 13 | E | 56.8 | Low | 59.1 | Low | 164 Ų | 164 | 131.6 Ų | 131.6 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 39.8 | 173 | -163.7 | 170.6 | 88.9 | 0 | 0 | 111.8 | T11 | T11-E13 PolarHBondContact O-N 3.18Š|
| 14 | E | 60.4 | Low | 58.8 | Low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -5 | -177.9 | -165.5 | 160.1 | 83.5 | 0 | 0 | 112.3 | S12 | S12-E14 PolarHBondContact O-N 3Š|
| 15 | D | 61.6 | Low | 58.6 | Low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -105.5 | 1.1 | 179.8 | -143.6 | 22.4 | 0 | 0 | 0 | 113.3 | D17 Y18 | D15-D17 VanDerWaalsContact C-N 3.29Å; D15-D17 PolarHBondContact O-N 2.95Å; D15-Y18 PolarHBondContact O-N 2.76Å |
| 16 | E | 62.8 | Low | 58.1 | Low | 159 Ų | 159 | 130 Ų | 130 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -18.9 | 179.6 | -67.7 | -164.4 | 159.8 | 0 | 0 | 113.7 | ||
| 17 | D | 73.3 | Confident | 58.1 | Low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 7 | 176.2 | -73.9 | -29.5 | 0 | 0 | 0 | 113.1 | D15 V19 | D15-D17 VanDerWaalsContact C-N 3.29Å; D15-D17 PolarHBondContact O-N 2.95Å; D17-V19 PolarHBondContact O-N 2.92Å |
| 18 | Y | 74.3 | Confident | 57.8 | Low | 162 Ų | 162 | 134 Ų | 134 | 64% | 0.635 | 73% | 0.728 | S | S | * | * | trans | -71.9 | 91.8 | 175.7 | -170.1 | -95.3 | 0 | 0 | 0 | 110.2 | D15 P20 | D15-Y18 PolarHBondContact O-N 2.76Å; Y18-P20 HydrophobicContact CD1-CG 4.21Å; Y18-P20 HydrophobicContact CE1-CB 4.24Å; Y18-P20 HydrophobicContact CE1-CG 4.15Å; Y18-P20 VanDerWaalsContact O-CD 3.24Å; Y18-P20 WeakPolarHBondContact O-CD 3.38Å | ||
| 19 | V | 70.3 | Confident | 58.1 | Low | 124 Ų | 124 | 133.6 Ų | 133.6 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -78.7 | 110.5 | 165.2 | -175.9 | 0 | 0 | 0 | 0 | 106.8 | D17 S21 | D17-V19 PolarHBondContact O-N 2.92Å; V19-S21 PolarHBondContact O-N 3.2Å | ||
| 20 | P | 59.8 | Low | 58.1 | Low | 92 Ų | 92 | 130 Ų | 130 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | trans | -56.9 | 120.3 | 172.1 | -18.8 | 32.3 | 0 | 0 | 0 | 106.7 | Y18 G22 | Y18-P20 HydrophobicContact CD1-CG 4.21Å; Y18-P20 HydrophobicContact CE1-CB 4.24Å; Y18-P20 HydrophobicContact CE1-CG 4.15Å; Y18-P20 VanDerWaalsContact O-CD 3.24Å; Y18-P20 WeakPolarHBondContact O-CD 3.38Å; P20-G22 PolarHBondContact O-N 2.76Å | ||
| 21 | S | 60.7 | Low | 57.8 | Low | 92 Ų | 92 | 132.8 Ų | 132.8 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -66.3 | 79.9 | 176.4 | 59.4 | 0 | 0 | 0 | 0 | 108.8 | V19 G23 | V19-S21 PolarHBondContact O-N 3.2Å; S21-G23 PolarHBondContact O-N 2.73Å | ||
| 22 | G | 60.2 | Low | 57.3 | Low | 79 Ų | 79 | 133.8 Ų | 133.8 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | trans | -81.2 | 105.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P20 | P20-G22 PolarHBondContact O-N 2.76Š| ||
| 23 | G | 57.4 | Low | 56.9 | Low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 96.9 | 104.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S21 | S21-G23 PolarHBondContact O-N 2.73Š|
| 24 | E | 49 | Very low | 56.3 | Low | 191 Ų | 191 | 133.8 Ų | 133.8 | 89% | 0.893 | 72% | 0.724 | S | S | * | * | -146.5 | 82.8 | 58.2 | -56.8 | -176 | 138.2 | 0 | 0 | 110.4 | S26 | E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 3.25Å | |||
| 25 | Y | 51 | Low | 56 | Low | 211 Ų | 211 | 135.2 Ų | 135.2 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -86.7 | 88.7 | 153.3 | -61.9 | -80.8 | 0 | 0 | 0 | 105.7 | E27 | Y25-E27 PolarHBondContact O-N 3.21Š| ||
| 26 | S | 49.6 | Very low | 55.2 | Low | 68 Ų | 68 | 137.3 Ų | 137.3 | 48% | 0.476 | 73% | 0.733 | S | S | . | * | trans | -59.1 | 123.2 | 171.2 | 59.7 | 0 | 0 | 0 | 0 | 108.4 | E24 D28 D29 | E24-S26 VanDerWaalsContact C-N 3.33Å; E24-S26 PolarHBondContact O-N 3.25Å; S26-D28 PolarHBondContact O-N 3.43Å; S26-D29 PolarHBondContact O-N 3.49Å | ||
| 27 | E | 53.5 | Low | 54.1 | Low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -3.3 | 175.7 | -63.6 | 175.5 | 115.3 | 0 | 0 | 112.5 | Y25 V30 | Y25-E27 PolarHBondContact O-N 3.21Å; E27-V30 WeakPolarHBondContact O-CG2 3.31Å |
| 28 | D | 47.3 | Very low | 53 | Low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -22.6 | 173.9 | -65.1 | -60.8 | 0 | 0 | 0 | 113.5 | S26 N31 | S26-D28 PolarHBondContact O-N 3.43Å; D28-N31 PolarHBondContact O-N 3.45Å |
| 29 | D | 54.6 | Low | 51.2 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -81.3 | -14 | -175 | -152.5 | 33.9 | 0 | 0 | 0 | 113.3 | S26 N31 | S26-D29 PolarHBondContact O-N 3.49Å; D29-N31 VanDerWaalsContact C-N 3.3Å |
| 30 | V | 49.7 | Very low | 49.6 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -81.7 | -9.4 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | E27 | E27-V30 WeakPolarHBondContact O-CG2 3.31Š|
| 31 | N | 49.2 | Very low | 48.2 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -95.1 | -3.4 | -179.5 | -167 | 58.3 | 0 | 0 | 0 | 113.5 | D28 D29 | D28-N31 PolarHBondContact O-N 3.45Å; D29-N31 VanDerWaalsContact C-N 3.3Å |
| 32 | E | 46.7 | Very low | 46.9 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -107.8 | 37.8 | 169.7 | -158.4 | 170.6 | -176.8 | 0 | 0 | 111.6 | V34 | E32-V34 VanDerWaalsContact C-N 3.26Å; E32-V34 PolarHBondContact O-N 3.13Å | ||
| 33 | L | 47.7 | Very low | 45.7 | Very low | 142 Ų | 142 | 146 Ų | 146 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -70.5 | 93 | 159.1 | -138.5 | 91.9 | 0 | 0 | 0 | 107.6 | K35 | L33-K35 PolarHBondContact O-N 2.99Å; L33-K35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | V | 44.3 | Very low | 44.6 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | trans | -43.4 | 118.4 | 163 | 169.9 | 0 | 0 | 0 | 0 | 107.1 | E32 E36 | E32-V34 VanDerWaalsContact C-N 3.26Å; E32-V34 PolarHBondContact O-N 3.13Å; V34-E36 PolarHBondContact O-N 3.37Å | ||
| 35 | K | 52.4 | Low | 44 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -55.4 | 97.8 | 165.7 | -79.3 | 174.9 | 176.1 | 169.3 | 0 | 106.9 | L33 D37 | L33-K35 PolarHBondContact O-N 2.99Å; L33-K35 VanDerWaalsContact O-N 3.09Å; K35-D37 PolarHBondContact O-N 2.98Å | ||
| 36 | E | 46.5 | Very low | 43.4 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -61.1 | 121 | 170 | 53.1 | -162.8 | 160.1 | 0 | 0 | 107.8 | V34 E38 | V34-E36 PolarHBondContact O-N 3.37Å; E36-E38 PolarHBondContact O-N 2.99Å | ||
| 37 | D | 38.7 | Very low | 43 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -51.1 | 119.2 | 179.9 | -103.3 | -33.5 | 0 | 0 | 0 | 110.1 | K35 V39 | K35-D37 PolarHBondContact O-N 2.98Å; D37-V39 HydrophobicContact CB-CG1 4.32Å; D37-V39 PolarHBondContact O-N 3.42Å; D37-V39 VanDerWaalsContact O-N 3.13Å | ||
| 38 | E | 50.1 | Low | 42.1 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -66.3 | 102.6 | 160.6 | -171 | 171.4 | 148 | 0 | 0 | 107.9 | E36 | E36-E38 PolarHBondContact O-N 2.99Š| ||
| 39 | V | 36.8 | Very low | 41.8 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -120.4 | 131.4 | 168.3 | -69.2 | 0 | 0 | 0 | 0 | 107.3 | D37 | D37-V39 HydrophobicContact CB-CG1 4.32Å; D37-V39 PolarHBondContact O-N 3.42Å; D37-V39 VanDerWaalsContact O-N 3.13Å | ||
| 40 | D | 36.5 | Very low | 40.9 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | cis | -162.3 | 147.5 | 0.4 | 176.3 | 50.8 | 0 | 0 | 0 | 105.9 | ||||
| 41 | G | 30.7 | Very low | 40.8 | Very low | 67 Ų | 67 | 157.9 Ų | 157.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -169 | 55 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 42 | E | 33.4 | Very low | 40.9 | Very low | 170 Ų | 170 | 160.8 Ų | 160.8 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | 62.7 | 119.9 | 153.7 | 69 | -174.5 | 176.3 | 0 | 0 | 122.8 | ||||
| 43 | E | 34.7 | Very low | 41.4 | Very low | 181 Ų | 181 | 164.9 Ų | 164.9 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | 57.2 | 100.3 | 147.5 | -64 | -164.9 | 157.4 | 0 | 0 | 120.6 | ||||
| 44 | Q | 33.6 | Very low | 41.2 | Very low | 194 Ų | 194 | 167.7 Ų | 167.7 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | -166.2 | 137.4 | 106.9 | -105.2 | 175.7 | 27.2 | 0 | 0 | 113.2 | |||||
| 45 | T | 37.2 | Very low | 41.4 | Very low | 124 Ų | 124 | 167.2 Ų | 167.2 | 76% | 0.761 | 85% | 0.847 | S | S | * | * | trans | -60.3 | 138 | -178 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 46 | Q | 38.5 | Very low | 41.4 | Very low | 194 Ų | 194 | 166.6 Ų | 166.6 | 91% | 0.907 | 85% | 0.847 | S | S | * | * | -171.2 | 133.8 | 123.7 | -100.3 | 167.9 | 44.2 | 0 | 0 | 112.2 | |||||
| 47 | K | 40.8 | Very low | 41.5 | Very low | 205 Ų | 205 | 164.3 Ų | 164.3 | 89% | 0.891 | 85% | 0.849 | S | S | * | * | trans | -77.4 | 135.5 | -175 | -60.9 | 170.6 | 176.5 | 176.3 | 0 | 111 | ||||
| 48 | T | 34.7 | Very low | 42.3 | Very low | 145 Ų | 145 | 165 Ų | 165 | 89% | 0.89 | 85% | 0.851 | S | S | * | * | trans | -146.2 | 131.5 | 146 | 52 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 49 | Q | 39.8 | Very low | 42.5 | Very low | 201 Ų | 201 | 161.1 Ų | 161.1 | 94% | 0.939 | 84% | 0.843 | S | S | * | * | trans | -76 | 149 | -179.4 | -64.5 | -130.5 | -20.6 | 0 | 0 | 112.8 | ||||
| 50 | G | 37.3 | Very low | 42.8 | Very low | 74 Ų | 74 | 160.3 Ų | 160.3 | 76% | 0.763 | 85% | 0.849 | S | S | * | * | trans | 179.6 | 78.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 51 | K | 47.1 | Very low | 43.7 | Very low | 203 Ų | 203 | 163 Ų | 163 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | 58 | 105.1 | 134.1 | -118.8 | 155.2 | 172.9 | 172.9 | 0 | 120.2 | ||||
| 52 | K | 51.3 | Low | 44.9 | Very low | 212 Ų | 212 | 169.5 Ų | 169.5 | 92% | 0.922 | 86% | 0.856 | S | S | * | * | trans | -61.2 | 135.9 | 161.3 | -60.5 | -173.7 | 176.5 | -175.3 | 0 | 111.6 | ||||
| 53 | R | 56.5 | Low | 45.9 | Very low | 245 Ų | 245 | 171.8 Ų | 171.8 | 93% | 0.925 | 86% | 0.858 | S | S | * | * | trans | -132.6 | 150.5 | 161.6 | -70.4 | -175 | 71.3 | 178.6 | -0.7 | 111.1 | ||||
| 54 | K | 44.8 | Very low | 46.5 | Very low | 200 Ų | 200 | 172.5 Ų | 172.5 | 87% | 0.87 | 86% | 0.858 | S | S | * | * | trans | -90 | 137.7 | -158.1 | 175.7 | 149.2 | 168.4 | 165.4 | 0 | 111.4 | ||||
| 55 | A | 47.1 | Very low | 46.9 | Very low | 100 Ų | 100 | 172.3 Ų | 172.3 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | trans | -59.3 | 132.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 56 | Q | 52.5 | Low | 46.7 | Very low | 189 Ų | 189 | 170.1 Ų | 170.1 | 88% | 0.883 | 86% | 0.859 | S | S | * | * | trans | -108.8 | 123.6 | 167.5 | -89.2 | -174.8 | -39.5 | 0 | 0 | 108.8 | ||||
| 57 | S | 48.8 | Very low | 46.9 | Very low | 120 Ų | 120 | 164.6 Ų | 164.6 | 84% | 0.839 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 132.3 | 175.5 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 58 | I | 55.4 | Low | 46.6 | Very low | 161 Ų | 161 | 163.3 Ų | 163.3 | 83% | 0.826 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 132.4 | 170.1 | -56.4 | 172.9 | 0 | 0 | 0 | 108.4 | ||
| 59 | P | 54.4 | Low | 46.5 | Very low | 115 Ų | 115 | 162 Ų | 162 | 75% | 0.747 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 140.8 | -179.8 | 31.7 | -32.5 | 0 | 0 | 0 | 112.5 | R61 | P59-R61 PolarHBondContact O-N 3.02Š|
| 60 | A | 44 | Very low | 46.1 | Very low | 104 Ų | 104 | 160.2 Ų | 160.2 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 127.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 61 | R | 54.7 | Low | 45.9 | Very low | 218 Ų | 218 | 165.8 Ų | 165.8 | 82% | 0.823 | 86% | 0.855 | S | S | * | * | trans | -96.2 | 108 | 175.7 | -170.3 | 175.4 | -178.7 | 177.8 | 0.5 | 109.9 | P59 | P59-R61 PolarHBondContact O-N 3.02Š| ||
| 62 | K | 55.3 | Low | 45.4 | Very low | 204 Ų | 204 | 163.9 Ų | 163.9 | 89% | 0.887 | 85% | 0.849 | S | S | * | * | trans | -67.4 | 138.2 | 166.8 | -69.6 | -159.1 | 174.9 | -170 | 0 | 110.5 | ||||
| 63 | R | 55.7 | Low | 44.5 | Very low | 219 Ų | 219 | 162.3 Ų | 162.3 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | trans | -124.9 | 137.4 | 157.7 | -74.6 | -178.4 | 64.1 | 129.7 | -1 | 110 | ||||
| 64 | K | 46.4 | Very low | 43.3 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | trans | -99.9 | 155.4 | -174 | -162.5 | -179.9 | -179.9 | -172.3 | 0 | 108.5 | ||||
| 65 | Q | 42.7 | Very low | 42.8 | Very low | 191 Ų | 191 | 158.2 Ų | 158.2 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | trans | -22.4 | 147.3 | 170.9 | -67.1 | -172.8 | -36.4 | 0 | 0 | 119.4 | ||||
| 66 | G | 33.2 | Very low | 42.1 | Very low | 77 Ų | 77 | 161.6 Ų | 161.6 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | 155.9 | 101.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 67 | G | 42.9 | Very low | 40.9 | Very low | 79 Ų | 79 | 160.4 Ų | 160.4 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | cis | 84.3 | 82.6 | 42.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 68 | L | 33.8 | Very low | 40.1 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -149.6 | 136.3 | 168.9 | -94.4 | 164.3 | 0 | 0 | 0 | 109.7 | ||||
| 69 | S | 32.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 157.9 Ų | 157.9 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -80.9 | 151.3 | -155.4 | -53.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 70 | L | 32.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 157.4 Ų | 157.4 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -62.1 | 127.4 | 158 | -168.3 | 95.3 | 0 | 0 | 0 | 109.1 | ||||
| 71 | E | 32.8 | Very low | 36.9 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -136.1 | 132 | 160.6 | -156.8 | 161.6 | -147.1 | 0 | 0 | 108 | ||||
| 72 | E | 35.3 | Very low | 35.9 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -113.4 | 122.3 | -164.9 | 164.6 | -175.7 | -162.4 | 0 | 0 | 105.5 | ||||
| 73 | E | 32.4 | Very low | 34.8 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | -156.4 | 94.9 | 163.1 | -94.9 | 177.9 | -175.6 | 0 | 0 | 103.7 | ||||
| 74 | E | 32.5 | Very low | 33.5 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 76% | 0.757 | 82% | 0.821 | S | S | * | * | 66.2 | 116.6 | 84.5 | -157.9 | 173.6 | -131.9 | 0 | 0 | 111.2 | |||||
| 75 | E | 34.3 | Very low | 32.6 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -174.9 | 134.6 | 134.3 | -84.9 | -96.4 | 171 | 0 | 0 | 108.6 | ||||
| 76 | E | 32.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -90.1 | 163.8 | -155.8 | -64.4 | 175.5 | 132.1 | 0 | 0 | 114.8 | ||||
| 77 | D | 27.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -38.5 | 144.5 | 162.9 | -83.1 | -87.5 | 0 | 0 | 0 | 117.5 | ||||
| 78 | A | 30.2 | Very low | 30.8 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | 158 | 121.8 | 116 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 79 | N | 26.4 | Very low | 30.7 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | 177.7 | 128.4 | 109.1 | -165.3 | 35.9 | 0 | 0 | 0 | 111.4 | E81 | N79-E81 PolarHBondContact ND2-OE1 3.01Š| |||
| 80 | S | 31.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -100.7 | 128.6 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 81 | E | 29.9 | Very low | 30.6 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -158.5 | 107.8 | 163.1 | 50.2 | -164.9 | 115.3 | 0 | 0 | 105.1 | N79 | N79-E81 PolarHBondContact ND2-OE1 3.01Š| ||
| 82 | S | 33.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | cis | 57.9 | 120.8 | 45.3 | -162.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 83 | E | 32 | Very low | 31.2 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | 88 | 133.7 | 175.8 | -46.8 | -153.9 | 169.5 | 0 | 0 | 115.6 | ||||
| 84 | G | 27.9 | Very low | 31.8 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | -173.1 | 149.2 | 8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | S | 27.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -84.6 | 148.7 | 167.3 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 86 | S | 25 | Very low | 32.6 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 126.1 | 141.7 | 142.1 | -159.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 87 | S | 25.7 | Very low | 33.2 | Very low | 87 Ų | 87 | 139 Ų | 139 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | 79.2 | 107.6 | 161.1 | -75.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 88 | E | 32.2 | Very low | 34.2 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 78.8 | 113.2 | 73.4 | -82.2 | 178.9 | 144.2 | 0 | 0 | 111.8 | |||||
| 89 | E | 31.6 | Very low | 34.8 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -149.9 | 147.1 | 137.8 | -80.7 | -55.5 | 163.3 | 0 | 0 | 108.1 | ||||
| 90 | E | 34.6 | Very low | 35.7 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -80.2 | 147.5 | -154.6 | -54.2 | 167.5 | 154.7 | 0 | 0 | 114.1 | ||||
| 91 | D | 28.3 | Very low | 36.5 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | -151.1 | 92.2 | 142.8 | -162 | 34.1 | 0 | 0 | 0 | 109.1 | ||||
| 92 | E | 39.1 | Very low | 37.7 | Very low | 190 Ų | 190 | 126.8 Ų | 126.8 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -77.3 | 128.8 | 166.3 | -70.9 | -154.3 | 160.1 | 0 | 0 | 110.2 | ||||
| 93 | G | 40.1 | Very low | 39 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | trans | 144.7 | 106.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 94 | A | 46 | Very low | 40.8 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | 78.9 | 108.5 | 167 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 95 | E | 41.2 | Very low | 43.2 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | 170.5 | 71.1 | 121.3 | -87 | -163.9 | -179.1 | 0 | 0 | 109.9 | E97 K98 | E95-E97 VanDerWaalsContact C-N 3.33Å; E95-K98 HydrophobicContact CG-CG 4.43Å; E95-K98 WeakPolarHBondContact OE1-CE 3.49Å; E95-K98 IonicContact OE1-NZ 2.72Å; E95-K98 PolarHBondContact OE1-NZ 3.24Å; E95-K98 WeakPolarHBondContact OE2-CD 3.23Å; E95-K98 IonicContact OE2-NZ 3.77Å | |||
| 96 | Q | 41.4 | Very low | 45.6 | Very low | 202 Ų | 202 | 120.9 Ų | 120.9 | 94% | 0.944 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -91.4 | 8.9 | 162.7 | -89.4 | -172.4 | -13.4 | 0 | 0 | 113.1 | ||
| 97 | E | 46.7 | Very low | 48.6 | Very low | 177 Ų | 177 | 120.9 Ų | 120.9 | 83% | 0.827 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -113.4 | 0.1 | -178.4 | -138.2 | -172.3 | -178.2 | 0 | 0 | 114.4 | E95 | E95-E97 VanDerWaalsContact C-N 3.33Š|
| 98 | K | 47.7 | Very low | 51.6 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 59% | 0.591 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -102.3 | -0.4 | 178.2 | -72.7 | -143.5 | -173.2 | 131.7 | 0 | 116 | E95 | E95-K98 HydrophobicContact CG-CG 4.43Å; E95-K98 WeakPolarHBondContact OE1-CE 3.49Å; E95-K98 IonicContact OE1-NZ 2.72Å; E95-K98 PolarHBondContact OE1-NZ 3.24Å; E95-K98 WeakPolarHBondContact OE2-CD 3.23Å; E95-K98 IonicContact OE2-NZ 3.77Å |
| 99 | G | 43 | Very low | 54.5 | Low | 46 Ų | 46 | 122 Ų | 122 | 47% | 0.474 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.1 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S102 E103 | G99-S102 PolarHBondContact O-N 3.46Å; G99-E103 WeakPolarHBondContact O-CG 3.23Å; G99-E103 PolarHBondContact O-N 3.25Å; G99-E103 VanDerWaalsContact O-N 3.14Å |
| 100 | I | 45.4 | Very low | 57.4 | Low | 110 Ų | 110 | 117.8 Ų | 117.8 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.4 | -41.4 | -169.5 | -52.7 | 168 | 0 | 0 | 0 | 111.4 | S102 E103 D104 | I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 2.68Å; I100-E103 PolarHBondContact O-N 3.28Å; I100-D104 PolarHBondContact O-N 3.19Å |
| 101 | G | 48.8 | Very low | 60.1 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 53% | 0.526 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.1 | -27.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A105 | G101-A105 WeakPolarHBondContact O-CB 3.3Å; G101-A105 PolarHBondContact O-N 3.25Å |
| 102 | S | 55 | Low | 63.3 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.4 | -39.6 | 174.3 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | G99 I100 A105 R106 | G99-S102 PolarHBondContact O-N 3.46Å; I100-S102 VanDerWaalsContact C-N 3.32Å; I100-S102 PolarHBondContact O-N 2.68Å; S102-A105 PolarHBondContact O-N 2.88Å; S102-R106 WeakPolarHBondContact O-CG 3.46Å; S102-R106 PolarHBondContact O-N 3.04Å |
| 103 | E | 59.9 | Low | 65.9 | Low | 110 Ų | 110 | 110 Ų | 110 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.1 | -41.7 | 173.5 | -74.6 | -171.2 | 163.4 | 0 | 0 | 112.6 | G99 I100 A105 R106 K107 | G99-E103 WeakPolarHBondContact O-CG 3.23Å; G99-E103 PolarHBondContact O-N 3.25Å; G99-E103 VanDerWaalsContact O-N 3.14Å; I100-E103 PolarHBondContact O-N 3.28Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 3.24Å; E103-R106 WeakPolarHBondContact O-CB 3.39Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 VanDerWaalsContact O-N 3.12Å; E103-K107 WeakPolarHBondContact O-CG 3.09Å; E103-K107 PolarHBondContact O-N 3.33Å |
| 104 | D | 70.8 | Confident | 68.2 | Low | 76 Ų | 76 | 114.8 Ų | 114.8 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.3 | -34.6 | 175.6 | -76.5 | -31.2 | 0 | 0 | 0 | 112 | I100 R106 K108 | I100-D104 PolarHBondContact O-N 3.19Å; D104-R106 VanDerWaalsContact C-N 3.34Å; D104-K108 WeakPolarHBondContact O-CB 3.5Å; D104-K108 VanDerWaalsContact O-CG 3.26Å; D104-K108 WeakPolarHBondContact O-CG 3.07Å; D104-K108 PolarHBondContact O-N 3.47Å |
| 105 | A | 76.6 | Confident | 70.4 | Confident | 40 Ų | 40 | 112.2 Ų | 112.2 | 33% | 0.331 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.9 | -29.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G101 S102 E103 K109 | G101-A105 WeakPolarHBondContact O-CB 3.3Å; G101-A105 PolarHBondContact O-N 3.25Å; S102-A105 PolarHBondContact O-N 2.88Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 3.24Å; A105-K109 WeakPolarHBondContact O-CD 3.26Å; A105-K109 WeakPolarHBondContact O-CG 3.49Å; A105-K109 PolarHBondContact O-N 3.27Å |
| 106 | R | 78.4 | Confident | 72.6 | Confident | 155 Ų | 155 | 109.3 Ų | 109.3 | 59% | 0.585 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.3 | -46.7 | 173.7 | -72.6 | 167.4 | -176.2 | -147.7 | -0.6 | 111 | S102 E103 D104 K108 K109 E110 | S102-R106 WeakPolarHBondContact O-CG 3.46Å; S102-R106 PolarHBondContact O-N 3.04Å; E103-R106 WeakPolarHBondContact O-CB 3.39Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 VanDerWaalsContact O-N 3.12Å; D104-R106 VanDerWaalsContact C-N 3.34Å; R106-K108 PolarHBondContact O-N 2.92Å; R106-K109 CarbonylContact O-C 3.58Å; R106-K109 WeakPolarHBondContact O-CB 3.5Å; R106-K109 PolarHBondContact O-N 2.8Å; R106-K109 VanDerWaalsContact O-N 3.08Å; R106-E110 VanDerWaalsContact O-CD 3.28Å; R106-E110 VanDerWaalsContact O-CG 3.3Å; R106-E110 WeakPolarHBondContact O-CG 3.47Å; R106-E110 PolarHBondContact O-N 3.4Å |
| 107 | K | 88.2 | Confident | 75 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 174.3 | -73.4 | 174.7 | -177.7 | 162.4 | 0 | 112.5 | E103 K109 E110 D111 | E103-K107 WeakPolarHBondContact O-CG 3.09Å; E103-K107 PolarHBondContact O-N 3.33Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.97Å; K107-E110 WeakPolarHBondContact O-CB 3.32Å; K107-E110 PolarHBondContact O-N 2.82Å; K107-D111 WeakPolarHBondContact O-CB 3.26Å; K107-D111 PolarHBondContact O-N 3.32Å |
| 108 | K | 89.3 | Confident | 76.9 | Confident | 147 Ų | 147 | 102.3 Ų | 102.3 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 175.1 | -75.2 | 172.9 | -177.5 | 173.4 | 0 | 113 | D104 R106 E112 | D104-K108 WeakPolarHBondContact O-CB 3.5Å; D104-K108 VanDerWaalsContact O-CG 3.26Å; D104-K108 WeakPolarHBondContact O-CG 3.07Å; D104-K108 PolarHBondContact O-N 3.47Å; R106-K108 PolarHBondContact O-N 2.92Å; K108-E112 VanDerWaalsContact O-CB 3.29Å; K108-E112 WeakPolarHBondContact O-CB 3.39Å; K108-E112 PolarHBondContact O-N 2.98Å |
| 109 | K | 92 | Very high | 78.5 | Confident | 137 Ų | 137 | 102.4 Ų | 102.4 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.4 | -40.5 | 175 | -73.8 | 169.4 | -173.8 | 171.6 | 0 | 111.2 | A105 R106 K107 E112 L113 | A105-K109 WeakPolarHBondContact O-CD 3.26Å; A105-K109 WeakPolarHBondContact O-CG 3.49Å; A105-K109 PolarHBondContact O-N 3.27Å; R106-K109 CarbonylContact O-C 3.58Å; R106-K109 WeakPolarHBondContact O-CB 3.5Å; R106-K109 PolarHBondContact O-N 2.8Å; R106-K109 VanDerWaalsContact O-N 3.08Å; K107-K109 VanDerWaalsContact C-N 3.34Å; K107-K109 PolarHBondContact O-N 2.97Å; K109-E112 PolarHBondContact O-N 3.39Å; K109-L113 WeakPolarHBondContact O-CB 3.37Å; K109-L113 WeakPolarHBondContact O-CG 3.5Å; K109-L113 PolarHBondContact O-N 3.43Å |
| 110 | E | 92.9 | Very high | 80.2 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.1 | -54.8 | 172.8 | -71.2 | 148.8 | -156.1 | 0 | 0 | 109.2 | R106 K107 E112 L113 W114 | R106-E110 VanDerWaalsContact O-CD 3.28Å; R106-E110 VanDerWaalsContact O-CG 3.3Å; R106-E110 WeakPolarHBondContact O-CG 3.47Å; R106-E110 PolarHBondContact O-N 3.4Å; K107-E110 WeakPolarHBondContact O-CB 3.32Å; K107-E110 PolarHBondContact O-N 2.82Å; E110-E112 VanDerWaalsContact C-N 3.28Å; E110-E112 PolarHBondContact O-N 2.98Å; E110-L113 CarbonylContact O-C 3.59Å; E110-L113 WeakPolarHBondContact O-CA 3.46Å; E110-L113 WeakPolarHBondContact O-CB 3.34Å; E110-L113 PolarHBondContact O-N 2.77Å; E110-W114 VanDerWaalsContact C-CD1 3.48Å; E110-W114 PolarHBondContact O-N 2.83Å |
| 111 | D | 92.3 | Very high | 81.6 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 57% | 0.567 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.5 | -38.8 | 179.6 | -70.1 | -22.4 | 0 | 0 | 0 | 112.6 | K107 W114 A115 | K107-D111 WeakPolarHBondContact O-CB 3.26Å; K107-D111 PolarHBondContact O-N 3.32Å; D111-W114 PolarHBondContact O-N 2.91Å; D111-A115 VanDerWaalsContact O-CB 3.26Å; D111-A115 WeakPolarHBondContact O-CB 3.46Å; D111-A115 PolarHBondContact O-N 2.86Å |
| 112 | E | 93.8 | Very high | 82.3 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 175.1 | -172.6 | 159.5 | -160 | 0 | 0 | 112 | K108 K109 E110 A115 S116 | K108-E112 VanDerWaalsContact O-CB 3.29Å; K108-E112 WeakPolarHBondContact O-CB 3.39Å; K108-E112 PolarHBondContact O-N 2.98Å; K109-E112 PolarHBondContact O-N 3.39Å; E110-E112 VanDerWaalsContact C-N 3.28Å; E110-E112 PolarHBondContact O-N 2.98Å; E112-A115 PolarHBondContact O-N 3.27Å; E112-S116 WeakPolarHBondContact O-CB 3.4Å; E112-S116 PolarHBondContact O-N 2.8Å |
| 113 | L | 93.6 | Very high | 82.6 | Confident | 117 Ų | 117 | 106.9 Ų | 106.9 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 172.2 | -69.3 | 169.6 | 0 | 0 | 0 | 111.3 | K109 E110 S116 F117 | K109-L113 WeakPolarHBondContact O-CB 3.37Å; K109-L113 WeakPolarHBondContact O-CG 3.5Å; K109-L113 PolarHBondContact O-N 3.43Å; E110-L113 CarbonylContact O-C 3.59Å; E110-L113 WeakPolarHBondContact O-CA 3.46Å; E110-L113 WeakPolarHBondContact O-CB 3.34Å; E110-L113 PolarHBondContact O-N 2.77Å; L113-S116 PolarHBondContact O-N 3.18Å; L113-S116 PolarHBondContact O-OG 3.44Å; L113-F117 PolarHBondContact O-N 3.41Å |
| 114 | W | 89 | Confident | 82.4 | Confident | 172 Ų | 172 | 109.6 Ų | 109.6 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -41.2 | 174.9 | -76.5 | 103.3 | 0 | 0 | 0 | 111.9 | E110 D111 F117 L118 | E110-W114 VanDerWaalsContact C-CD1 3.48Å; E110-W114 PolarHBondContact O-N 2.83Å; D111-W114 PolarHBondContact O-N 2.91Å; W114-F117 WeakPolarHBondContact O-CB 3.38Å; W114-F117 PolarHBondContact O-N 2.92Å; W114-L118 WeakPolarHBondContact O-CG 3.42Å; W114-L118 PolarHBondContact O-N 3.12Å |
| 115 | A | 91.6 | Very high | 81.4 | Confident | 47 Ų | 47 | 110.7 Ų | 110.7 | 39% | 0.388 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.3 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D111 E112 F117 L118 N119 | D111-A115 VanDerWaalsContact O-CB 3.26Å; D111-A115 WeakPolarHBondContact O-CB 3.46Å; D111-A115 PolarHBondContact O-N 2.86Å; E112-A115 PolarHBondContact O-N 3.27Å; A115-F117 VanDerWaalsContact C-N 3.29Å; A115-F117 PolarHBondContact O-N 2.81Å; A115-L118 PolarHBondContact O-N 3.46Å; A115-N119 WeakPolarHBondContact O-CB 3.43Å; A115-N119 PolarHBondContact O-N 2.89Å; A115-N119 PolarHBondContact O-ND2 3.49Å |
| 116 | S | 88.8 | Confident | 80 | Confident | 68 Ų | 68 | 118.8 Ų | 118.8 | 48% | 0.476 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | 174.9 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | E112 L113 N119 D120 | E112-S116 WeakPolarHBondContact O-CB 3.4Å; E112-S116 PolarHBondContact O-N 2.8Å; L113-S116 PolarHBondContact O-N 3.18Å; L113-S116 PolarHBondContact O-OG 3.44Å; S116-N119 PolarHBondContact O-N 3.02Å; S116-D120 PolarHBondContact O-N 3.34Å |
| 117 | F | 91.9 | Very high | 78.2 | Confident | 124 Ų | 124 | 116.9 Ų | 116.9 | 54% | 0.544 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65 | -49.2 | 175.3 | 179.2 | -101.3 | 0 | 0 | 0 | 111.4 | L113 W114 A115 N119 D120 V121 | L113-F117 PolarHBondContact O-N 3.41Å; W114-F117 WeakPolarHBondContact O-CB 3.38Å; W114-F117 PolarHBondContact O-N 2.92Å; A115-F117 VanDerWaalsContact C-N 3.29Å; A115-F117 PolarHBondContact O-N 2.81Å; F117-N119 VanDerWaalsContact C-N 3.26Å; F117-N119 PolarHBondContact O-N 3.4Å; F117-D120 PolarHBondContact O-N 3.14Å; F117-D120 VanDerWaalsContact O-N 3.11Å; F117-V121 HydrophobicContact CD1-CG2 4.45Å; F117-V121 HydrophobicContact CD2-CG1 4.5Å; F117-V121 HydrophobicContact CE1-CG1 4.26Å; F117-V121 HydrophobicContact CE1-CG2 4.29Å; F117-V121 HydrophobicContact CE2-CG1 4.09Å; F117-V121 HydrophobicContact CZ-CG1 3.96Å; F117-V121 WeakPolarHBondContact O-CG2 3.35Å; F117-V121 PolarHBondContact O-N 2.72Å |
| 118 | L | 85.6 | Confident | 76 | Confident | 108 Ų | 108 | 116.9 Ų | 116.9 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.2 | -30.8 | 178.3 | -70.5 | 178.2 | 0 | 0 | 0 | 113.4 | W114 A115 V121 G122 | W114-L118 WeakPolarHBondContact O-CG 3.42Å; W114-L118 PolarHBondContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 3.46Å; L118-V121 HydrophobicContact CD2-CG2 4.27Å; L118-G122 PolarHBondContact O-N 3.03Å |
| 119 | N | 81.6 | Confident | 73.9 | Confident | 139 Ų | 139 | 116.1 Ų | 116.1 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.7 | -34 | 174.2 | -80.1 | -33.9 | 0 | 0 | 0 | 113.1 | A115 S116 F117 | A115-N119 WeakPolarHBondContact O-CB 3.43Å; A115-N119 PolarHBondContact O-N 2.89Å; A115-N119 PolarHBondContact O-ND2 3.49Å; S116-N119 PolarHBondContact O-N 3.02Å; F117-N119 VanDerWaalsContact C-N 3.26Å; F117-N119 PolarHBondContact O-N 3.4Å |
| 120 | D | 78.7 | Confident | 71.3 | Confident | 111 Ų | 111 | 114.8 Ų | 114.8 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.2 | -25.8 | 178.2 | -170.2 | 40.2 | 0 | 0 | 0 | 113 | S116 F117 | S116-D120 PolarHBondContact O-N 3.34Å; F117-D120 PolarHBondContact O-N 3.14Å; F117-D120 VanDerWaalsContact O-N 3.11Å |
| 121 | V | 75.7 | Confident | 68.4 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 50% | 0.503 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -93 | 2.3 | 175.4 | -54.4 | 0 | 0 | 0 | 0 | 114.3 | F117 L118 | F117-V121 HydrophobicContact CD1-CG2 4.45Å; F117-V121 HydrophobicContact CD2-CG1 4.5Å; F117-V121 HydrophobicContact CE1-CG1 4.26Å; F117-V121 HydrophobicContact CE1-CG2 4.29Å; F117-V121 HydrophobicContact CE2-CG1 4.09Å; F117-V121 HydrophobicContact CZ-CG1 3.96Å; F117-V121 WeakPolarHBondContact O-CG2 3.35Å; F117-V121 PolarHBondContact O-N 2.72Å; L118-V121 HydrophobicContact CD2-CG2 4.27Å |
| 122 | G | 62.7 | Low | 66 | Low | 30 Ų | 30 | 119.4 Ų | 119.4 | 31% | 0.309 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -57.7 | 150.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L118 K124 | L118-G122 PolarHBondContact O-N 3.03Å; G122-K124 PolarHBondContact O-N 3.06Å |
| 123 | P | 62 | Low | 63.1 | Low | 132 Ų | 132 | 118 Ų | 118 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | -56.6 | 108.7 | -175.2 | 22.3 | -32 | 0 | 0 | 0 | 109.7 | S125 | P123-S125 PolarHBondContact O-N 2.73Š| ||
| 124 | K | 54 | Low | 60.5 | Low | 167 Ų | 167 | 122 Ų | 122 | 73% | 0.726 | 67% | 0.671 | S | S | * | * | trans | -57.2 | 103.6 | -179.2 | -60.9 | -160.6 | 170.5 | -174.7 | 0 | 108 | G122 K126 | G122-K124 PolarHBondContact O-N 3.06Å; K124-K126 PolarHBondContact O-N 3.3Å | ||
| 125 | S | 50.5 | Low | 57.6 | Low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | trans | -55.3 | 118.7 | 169.7 | 54.1 | 0 | 0 | 0 | 0 | 106.7 | P123 V127 | P123-S125 PolarHBondContact O-N 2.73Å; S125-V127 PolarHBondContact O-N 2.84Å | ||
| 126 | K | 46.5 | Very low | 54.7 | Low | 209 Ų | 209 | 125.3 Ų | 125.3 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | -63.4 | 104.7 | 175.2 | -173.7 | 100.6 | 174.2 | -173.4 | 0 | 107.4 | K124 | K124-K126 PolarHBondContact O-N 3.3Š| ||
| 127 | V | 42.4 | Very low | 52.1 | Low | 115 Ų | 115 | 130.7 Ų | 130.7 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | -113.8 | 131.3 | 169.3 | -160.4 | 0 | 0 | 0 | 0 | 108.9 | S125 | S125-V127 PolarHBondContact O-N 2.84Š| ||
| 128 | P | 42.2 | Very low | 49.2 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | -72.2 | 162.3 | 176.4 | 31.2 | -34.7 | 0 | 0 | 0 | 111.9 | ||||
| 129 | P | 43.9 | Very low | 46.3 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | trans | -84.5 | 127.1 | -166.3 | 32.9 | -31.6 | 0 | 0 | 0 | 112 | ||||
| 130 | S | 37.4 | Very low | 44 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -167 | 117.3 | 155.5 | -149.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 131 | T | 31.4 | Very low | 41.7 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 75.3 | 93.9 | 137.9 | -40.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 132 | Q | 43.1 | Very low | 39.3 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | 27.1 | 123.9 | 123.6 | -67.9 | -170.5 | 4.3 | 0 | 0 | 121.9 | |||||
| 133 | V | 33.2 | Very low | 38 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | 85.9 | 99.4 | 128.9 | -179.5 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 134 | K | 38.1 | Very low | 36.5 | Very low | 199 Ų | 199 | 140 Ų | 140 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | 170.8 | 143.5 | 101.9 | -82 | -151.3 | 177.4 | 175.1 | 0 | 113.4 | |||||
| 135 | K | 29.1 | Very low | 35.7 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -79.2 | 139.2 | 169.7 | 175.6 | 175.1 | 179.8 | 176.7 | 0 | 110.4 | ||||
| 136 | G | 30.8 | Very low | 34.9 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -169.7 | 119.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 137 | E | 32.9 | Very low | 34.3 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -81.8 | 141.5 | 179.6 | 178.6 | -176.9 | 133.7 | 0 | 0 | 110.5 | ||||
| 138 | E | 31.5 | Very low | 33.7 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | 166.1 | 135.1 | 120.9 | -121.4 | -169.9 | 144 | 0 | 0 | 113.3 | |||||
| 139 | T | 25.8 | Very low | 33.2 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 64% | 0.638 | 78% | 0.781 | S | S | * | * | trans | 50.5 | 116.2 | 141.5 | 41.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 140 | E | 32.3 | Very low | 32.6 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 65.6 | 124.6 | 120.7 | -73.8 | -159.4 | 173.8 | 0 | 0 | 123.6 | |||||
| 141 | E | 31.4 | Very low | 32.8 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | 83.3 | 135.9 | 135 | -68.9 | -168.5 | 174 | 0 | 0 | 122 | ||||
| 142 | T | 24.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 96.1 | 106.8 | 154.7 | 77.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 143 | S | 34.7 | Very low | 33 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 75.3 | 112.3 | 117.3 | -58.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 144 | S | 32.2 | Very low | 33 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 71.2 | 109.8 | 121 | -165.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 145 | S | 37 | Very low | 33 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | 165.2 | 109.3 | 128.1 | 44.6 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 146 | K | 33.6 | Very low | 33.5 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | 50.9 | 94.4 | 80.2 | -146.5 | -175.2 | -175.7 | 169.6 | 0 | 113.8 | |||||
| 147 | L | 32.5 | Very low | 34 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | 161 | 146.1 | 113.6 | -87 | -175.7 | 0 | 0 | 0 | 114.4 | |||||
| 148 | L | 31.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | 90.3 | 89 | 152 | -72.6 | 163.9 | 0 | 0 | 0 | 120.7 | ||||
| 149 | V | 31.5 | Very low | 35.3 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | 3.2 | 115.1 | 124 | -176.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 150 | K | 31 | Very low | 36.3 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | trans | -138.1 | 101.7 | 146.9 | -172.1 | 72.5 | 146.3 | 172 | 0 | 106.9 | E152 | K150-E152 PolarHBondContact O-N 2.83Š| ||
| 151 | A | 40.5 | Very low | 37.5 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -62.3 | 116.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 152 | E | 33.8 | Very low | 39.3 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -130.5 | 96.8 | 154.5 | -160 | 173.1 | 168 | 0 | 0 | 106.6 | K150 L154 | K150-E152 PolarHBondContact O-N 2.83Å; E152-L154 PolarHBondContact O-N 2.87Å | ||
| 153 | E | 44.9 | Very low | 41.2 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | -42.4 | 110.9 | 160.4 | 177.4 | -177.3 | 164.6 | 0 | 0 | 110.7 | ||||
| 154 | L | 34.8 | Very low | 43 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | -150.5 | 92.3 | 158 | -112 | 171.8 | 0 | 0 | 0 | 110 | E152 | E152-L154 PolarHBondContact O-N 2.87Š| ||
| 155 | E | 37.6 | Very low | 45 | Very low | 149 Ų | 149 | 136 Ų | 136 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | trans | 41.6 | 104.1 | 141.8 | -59.9 | -165.3 | 173.8 | 0 | 0 | 117.9 | ||||
| 156 | K | 39.8 | Very low | 46.6 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | trans | -32.2 | 135.8 | 150.8 | -64.6 | 177.1 | 175.5 | -172.3 | 0 | 110.1 | K158 | K156-K158 PolarHBondContact O-N 3.49Š| ||
| 157 | P | 40.6 | Very low | 48.8 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 65% | 0.652 | S | S | * | * | trans | -55.6 | 118.7 | 160.1 | 26 | -30.5 | 0 | 0 | 0 | 105.7 | E159 | P157-E159 VanDerWaalsContact C-N 3.31Å; P157-E159 PolarHBondContact O-N 3.46Å | ||
| 158 | K | 47.1 | Very low | 51.1 | Low | 173 Ų | 173 | 125.3 Ų | 125.3 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -49.4 | 102.2 | 175.5 | -74.6 | 170.5 | 178.5 | 164.6 | 0 | 106.9 | K156 T160 | K156-K158 PolarHBondContact O-N 3.49Å; K158-T160 VanDerWaalsContact C-N 3.31Å; K158-T160 PolarHBondContact O-N 3.17Å | ||
| 159 | E | 43.6 | Very low | 53.1 | Low | 175 Ų | 175 | 119.2 Ų | 119.2 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -43.9 | 110.1 | 151.6 | -73.7 | 169.8 | 168 | 0 | 0 | 103.6 | P157 E161 | P157-E159 VanDerWaalsContact C-N 3.31Å; P157-E159 PolarHBondContact O-N 3.46Å; E159-E161 PolarHBondContact O-N 3.14Å | ||
| 160 | T | 47.7 | Very low | 54.8 | Low | 86 Ų | 86 | 117 Ų | 117 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | trans | -62.1 | 97.4 | 173.6 | 43.6 | 0 | 0 | 0 | 0 | 104.4 | K158 K162 | K158-T160 VanDerWaalsContact C-N 3.31Å; K158-T160 PolarHBondContact O-N 3.17Å; T160-K162 VanDerWaalsContact C-N 3.29Å; T160-K162 WeakPolarHBondContact O-CG 3.46Å; T160-K162 PolarHBondContact O-N 3.47Å | ||
| 161 | E | 58.2 | Low | 56.4 | Low | 150 Ų | 150 | 111.3 Ų | 111.3 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | trans | -54.9 | 98.1 | -178 | -166.3 | 176.3 | -178.6 | 0 | 0 | 105.9 | E159 V163 A184 | E159-E161 PolarHBondContact O-N 3.14Å; E161-V163 WeakPolarHBondContact O-CG2 3.41Å; E161-V163 PolarHBondContact O-N 3.26Å; E161-A184 HydrophobicContact CB-CB 4.29Å; E161-A184 VanDerWaalsContact O-CB 3.23Å; E161-A184 WeakPolarHBondContact O-CB 3.48Å; E161-A184 PolarHBondContact O-N 3.11Å | ||
| 162 | K | 68.3 | Low | 57.4 | Low | 136 Ų | 136 | 111.6 Ų | 111.6 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70 | 116.5 | -178.6 | -68.3 | -175.5 | 178.9 | -176.4 | 0 | 105.7 | T160 | T160-K162 VanDerWaalsContact C-N 3.29Å; T160-K162 WeakPolarHBondContact O-CG 3.46Å; T160-K162 PolarHBondContact O-N 3.47Å |
| 163 | V | 64.6 | Low | 59.4 | Low | 30 Ų | 30 | 108 Ų | 108 | 18% | 0.182 | 57% | 0.566 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.7 | -178.5 | -171.7 | 0 | 0 | 0 | 0 | 108.8 | E161 I165 V182 A184 F193 | E161-V163 WeakPolarHBondContact O-CG2 3.41Å; E161-V163 PolarHBondContact O-N 3.26Å; V163-I165 PolarHBondContact O-N 2.99Å; V163-V182 PolarHBondContact N-O 3.05Å; V163-V182 PolarHBondContact O-N 3.34Å; V163-A184 HydrophobicContact CG2-CB 3.79Å; V163-F193 HydrophobicContact CG1-CE2 3.58Å; V163-F193 HydrophobicContact CG1-CZ 3.49Å; V163-F193 VanDerWaalsContact CG1-CZ 3.49Å |
| 164 | K | 73 | Confident | 60.2 | Low | 141 Ų | 141 | 105.8 Ų | 105.8 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76 | 109.3 | 173.9 | -66.3 | -178.8 | 176.6 | -171.6 | 0 | 109 | E181 | K164-E181 WeakPolarHBondContact CE-OE1 3.43Å; K164-E181 HydrophobicContact CG-CG 4.18Å; K164-E181 IonicContact NZ-OE1 3.87Å |
| 165 | I | 73.1 | Confident | 62.3 | Low | 15 Ų | 15 | 103.9 Ų | 103.9 | 8% | 0.077 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 105.8 | 173.7 | -61.3 | -177.1 | 0 | 0 | 0 | 107.5 | V163 T179 K180 V182 A189 F192 | V163-I165 PolarHBondContact O-N 2.99Å; I165-T179 WeakPolarHBondContact O-CA 3.29Å; I165-K180 WeakPolarHBondContact CB-O 3.42Å; I165-K180 PolarHBondContact N-O 3.45Å; I165-K180 PolarHBondContact O-N 2.97Å; I165-V182 HydrophobicContact CD1-CB 3.95Å; I165-V182 HydrophobicContact CD1-CG2 3.57Å; I165-V182 HydrophobicContact CG1-CG2 4.16Å; I165-A189 HydrophobicContact CD1-CB 4.38Å; I165-F192 HydrophobicContact CD1-CB 4.42Å; I165-F192 HydrophobicContact CG2-CD1 3.75Å; I165-F192 HydrophobicContact CG2-CD2 3.69Å; I165-F192 HydrophobicContact CG2-CE1 3.67Å; I165-F192 HydrophobicContact CG2-CE2 3.61Å; I165-F192 HydrophobicContact CG2-CG 3.76Å; I165-F192 HydrophobicContact CG2-CZ 3.6Å |
| 166 | T | 70 | Confident | 64.1 | Low | 73 Ų | 73 | 99 Ų | 99 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 106.5 | 175 | 63.1 | 0 | 0 | 0 | 0 | 109.6 | V178 T179 | T166-V178 WeakPolarHBondContact CA-O 3.42Å; T166-T179 HydrophobicContact CG2-CG2 3.71Å |
| 167 | K | 80.9 | Confident | 66 | Low | 94 Ų | 94 | 98.9 Ų | 98.9 | 41% | 0.409 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.1 | 174.6 | -168.1 | 169.8 | 175.2 | -173.7 | 0 | 109.5 | F169 V178 | K167-F169 HydrophobicContact CB-CD2 4.35Å; K167-F169 HydrophobicContact CB-CE2 3.88Å; K167-F169 HydrophobicContact CD-CD2 4.48Å; K167-F169 HydrophobicContact CD-CE1 4.14Å; K167-F169 HydrophobicContact CD-CE2 3.52Å; K167-F169 HydrophobicContact CD-CZ 3.34Å; K167-F169 HydrophobicContact CG-CD2 4.05Å; K167-F169 HydrophobicContact CG-CE1 4.44Å; K167-F169 HydrophobicContact CG-CE2 3.52Å; K167-F169 HydrophobicContact CG-CZ 3.79Å; K167-V178 PolarHBondContact N-O 3.38Å; K167-V178 PolarHBondContact O-N 3.3Å |
| 168 | V | 79.8 | Confident | 67.9 | Low | 54 Ų | 54 | 95.5 Ų | 95.5 | 33% | 0.327 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.6 | 179.2 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | E175 R177 | V168-E175 HydrophobicContact CG1-CG 3.19Å; V168-E175 VanDerWaalsContact CG1-OE1 3.3Å; V168-E175 WeakPolarHBondContact CG1-OE1 3.37Å; V168-R177 HydrophobicContact CG2-CG 4.39Å |
| 169 | F | 75.4 | Confident | 69.4 | Low | 24 Ų | 24 | 91.7 Ų | 91.7 | 11% | 0.105 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.4 | 176.6 | -71.5 | -79.2 | 0 | 0 | 0 | 110.8 | K167 V176 V178 M238 | K167-F169 HydrophobicContact CB-CD2 4.35Å; K167-F169 HydrophobicContact CB-CE2 3.88Å; K167-F169 HydrophobicContact CD-CD2 4.48Å; K167-F169 HydrophobicContact CD-CE1 4.14Å; K167-F169 HydrophobicContact CD-CE2 3.52Å; K167-F169 HydrophobicContact CD-CZ 3.34Å; K167-F169 HydrophobicContact CG-CD2 4.05Å; K167-F169 HydrophobicContact CG-CE1 4.44Å; K167-F169 HydrophobicContact CG-CE2 3.52Å; K167-F169 HydrophobicContact CG-CZ 3.79Å; F169-V176 PolarHBondContact N-O 3.41Å; F169-V176 PolarHBondContact O-N 3.19Å; F169-V178 HydrophobicContact CD2-CB 4.4Å; F169-V178 HydrophobicContact CD2-CG2 3.99Å; F169-V178 HydrophobicContact CE2-CB 4.49Å; F169-V178 HydrophobicContact CE2-CG2 4.37Å; F169-M238 HydrophobicContact CB-CG 4.04Å; F169-M238 HydrophobicContact CD1-CG 3.22Å; F169-M238 HydrophobicContact CD1-SD 3.82Å; F169-M238 HydrophobicContact CD2-CG 4.1Å; F169-M238 HydrophobicContact CE1-CG 3.4Å; F169-M238 HydrophobicContact CE1-SD 3.26Å; F169-M238 WeakPolarHBondContact CE1-SD 3.49Å; F169-M238 HydrophobicContact CE2-CG 4.25Å; F169-M238 HydrophobicContact CE2-SD 4.16Å; F169-M238 HydrophobicContact CG-CG 3.55Å; F169-M238 HydrophobicContact CG-SD 4.41Å; F169-M238 HydrophobicContact CZ-CE 4.27Å; F169-M238 HydrophobicContact CZ-CG 3.88Å; F169-M238 HydrophobicContact CZ-SD 3.42Å; F169-M238 WeakPolarHBondContact CZ-SD 3.39Å |
| 170 | D | 67.1 | Low | 71.3 | Confident | 86 Ų | 86 | 88.7 Ų | 88.7 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 112.2 | 179.9 | -52.9 | -24.3 | 0 | 0 | 0 | 109.2 | ||
| 171 | F | 63 | Low | 72.6 | Confident | 66 Ų | 66 | 89.5 Ų | 89.5 | 29% | 0.289 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.5 | 175.2 | -179.7 | -99.9 | 0 | 0 | 0 | 109.9 | G173 E174 V176 K243 | F171-G173 PolarHBondContact O-N 3.43Å; F171-E174 PolarHBondContact N-O 3.04Å; F171-E174 WeakPolarHBondContact O-CB 3.42Å; F171-E174 PolarHBondContact O-N 3.06Å; F171-E174 VanDerWaalsContact O-O 3.14Å; F171-V176 HydrophobicContact CB-CG2 3.95Å; F171-K243 HydrophobicContact CB-CD 4.47Å; F171-K243 HydrophobicContact CD1-CD 4.14Å; F171-K243 HydrophobicContact CD2-CD 3.48Å; F171-K243 VanDerWaalsContact CD2-CD 3.48Å; F171-K243 HydrophobicContact CE1-CD 4.23Å; F171-K243 HydrophobicContact CE2-CD 3.58Å; F171-K243 HydrophobicContact CG-CD 3.76Å; F171-K243 HydrophobicContact CZ-CD 3.96Å |
| 172 | A | 62.4 | Low | 73 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 84% | 0.843 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 25.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 173 | G | 75.1 | Confident | 73 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 88% | 0.876 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -4.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F171 | F171-G173 PolarHBondContact O-N 3.43Š|
| 174 | E | 63.3 | Low | 72.7 | Confident | 141 Ų | 141 | 80.8 Ų | 80.8 | 66% | 0.659 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.3 | 172.4 | -166.1 | 173.9 | -179.6 | 0 | 0 | 110.4 | F171 V176 | F171-E174 PolarHBondContact N-O 3.04Å; F171-E174 WeakPolarHBondContact O-CB 3.42Å; F171-E174 PolarHBondContact O-N 3.06Å; F171-E174 VanDerWaalsContact O-O 3.14Å; E174-V176 PolarHBondContact O-N 3.44Å |
| 175 | E | 77.8 | Confident | 72 | Confident | 102 Ų | 102 | 79.4 Ų | 79.4 | 48% | 0.477 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.1 | -178.4 | -173 | -172.2 | 133.9 | 0 | 0 | 110 | V168 R177 | V168-E175 HydrophobicContact CG1-CG 3.19Å; V168-E175 VanDerWaalsContact CG1-OE1 3.3Å; V168-E175 WeakPolarHBondContact CG1-OE1 3.37Å; E175-R177 IonicContact OE1-CZ 3.55Å; E175-R177 IonicContact OE1-NE 2.99Å; E175-R177 PolarHBondContact OE1-NE 2.83Å; E175-R177 IonicContact OE1-NH2 3.18Å; E175-R177 PolarHBondContact OE1-NH2 2.77Å |
| 176 | V | 74.6 | Confident | 71.9 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 28% | 0.279 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.1 | 178 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | F169 F171 E174 V178 | F169-V176 PolarHBondContact N-O 3.41Å; F169-V176 PolarHBondContact O-N 3.19Å; F171-V176 HydrophobicContact CB-CG2 3.95Å; E174-V176 PolarHBondContact O-N 3.44Å; V176-V178 HydrophobicContact CG1-CG2 4.39Å |
| 177 | R | 81.4 | Confident | 71.8 | Confident | 175 Ų | 175 | 86 Ų | 86 | 66% | 0.66 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.4 | 179.4 | -61.3 | -176.8 | -179.6 | 155.5 | 4.5 | 110 | V168 E175 | V168-R177 HydrophobicContact CG2-CG 4.39Å; E175-R177 IonicContact OE1-CZ 3.55Å; E175-R177 IonicContact OE1-NE 2.99Å; E175-R177 PolarHBondContact OE1-NE 2.83Å; E175-R177 IonicContact OE1-NH2 3.18Å; E175-R177 PolarHBondContact OE1-NH2 2.77Å |
| 178 | V | 79.9 | Confident | 70.7 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.8 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 108.6 | T166 K167 F169 V176 | T166-V178 WeakPolarHBondContact CA-O 3.42Å; K167-V178 PolarHBondContact N-O 3.38Å; K167-V178 PolarHBondContact O-N 3.3Å; F169-V178 HydrophobicContact CD2-CB 4.4Å; F169-V178 HydrophobicContact CD2-CG2 3.99Å; F169-V178 HydrophobicContact CE2-CB 4.49Å; F169-V178 HydrophobicContact CE2-CG2 4.37Å; V176-V178 HydrophobicContact CG1-CG2 4.39Å |
| 179 | T | 79.1 | Confident | 69.7 | Low | 92 Ų | 92 | 84 Ų | 84 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.9 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | I165 T166 | I165-T179 WeakPolarHBondContact O-CA 3.29Å; T166-T179 HydrophobicContact CG2-CG2 3.71Å |
| 180 | K | 82.3 | Confident | 69.1 | Low | 112 Ų | 112 | 89.1 Ų | 89.1 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.9 | 174 | -172.9 | -177.4 | 176.1 | -171.4 | 0 | 109.3 | I165 V182 E188 | I165-K180 WeakPolarHBondContact CB-O 3.42Å; I165-K180 PolarHBondContact N-O 3.45Å; I165-K180 PolarHBondContact O-N 2.97Å; K180-V182 HydrophobicContact CD-CG2 4.14Å; K180-V182 HydrophobicContact CG-CG2 3.98Å; K180-E188 IonicContact NZ-OE1 3.22Å |
| 181 | E | 74.9 | Confident | 68.9 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.2 | 173.7 | -59.5 | -161.9 | 159.6 | 0 | 0 | 109.9 | K164 | K164-E181 WeakPolarHBondContact CE-OE1 3.43Å; K164-E181 HydrophobicContact CG-CG 4.18Å; K164-E181 IonicContact NZ-OE1 3.87Å |
| 182 | V | 67.4 | Low | 68.9 | Low | 20 Ų | 20 | 87.5 Ų | 87.5 | 12% | 0.121 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.2 | 179.3 | -160.2 | 0 | 0 | 0 | 0 | 109.7 | V163 I165 K180 | V163-V182 PolarHBondContact N-O 3.05Å; V163-V182 PolarHBondContact O-N 3.34Å; I165-V182 HydrophobicContact CD1-CB 3.95Å; I165-V182 HydrophobicContact CD1-CG2 3.57Å; I165-V182 HydrophobicContact CG1-CG2 4.16Å; K180-V182 HydrophobicContact CD-CG2 4.14Å; K180-V182 HydrophobicContact CG-CG2 3.98Å |
| 183 | D | 67.3 | Low | 68.9 | Low | 77 Ų | 77 | 88.1 Ų | 88.1 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 133.9 | 179.2 | -66.9 | -40.6 | 0 | 0 | 0 | 112.7 | T185 S186 | D183-T185 PolarHBondContact O-N 3.38Å; D183-S186 WeakPolarHBondContact O-CB 3.26Å; D183-S186 PolarHBondContact O-N 2.94Å |
| 184 | A | 59.8 | Low | 68.6 | Low | 36 Ų | 36 | 91.4 Ų | 91.4 | 30% | 0.298 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E161 V163 | E161-A184 HydrophobicContact CB-CB 4.29Å; E161-A184 VanDerWaalsContact O-CB 3.23Å; E161-A184 WeakPolarHBondContact O-CB 3.48Å; E161-A184 PolarHBondContact O-N 3.11Å; V163-A184 HydrophobicContact CG2-CB 3.79Å |
| 185 | T | 58.4 | Low | 68.5 | Low | 111 Ų | 111 | 91 Ų | 91 | 68% | 0.681 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.8 | -177.8 | 54.5 | 0 | 0 | 0 | 0 | 114 | D183 K190 | D183-T185 PolarHBondContact O-N 3.38Å; T185-K190 PolarHBondContact O-NZ 3.29Å |
| 186 | S | 70.2 | Confident | 67.5 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -67.3 | 145.5 | -176.1 | -174 | 0 | 0 | 0 | 0 | 112.8 | D183 E188 A189 K190 | D183-S186 WeakPolarHBondContact O-CB 3.26Å; D183-S186 PolarHBondContact O-N 2.94Å; S186-E188 PolarHBondContact O-N 2.95Å; S186-A189 PolarHBondContact O-N 3Å; S186-K190 PolarHBondContact O-N 3Å |
| 187 | K | 67.9 | Low | 66.5 | Low | 185 Ų | 185 | 94.9 Ų | 94.9 | 80% | 0.804 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -29.4 | 177.1 | -67 | 176.9 | -179.2 | 173.1 | 0 | 111.7 | S191 | K187-S191 PolarHBondContact O-N 3.46Å; K187-S191 PolarHBondContact O-OG 2.78Å |
| 188 | E | 57.5 | Low | 65 | Low | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.5 | -44.8 | 178.1 | -164.9 | 177.9 | 160.1 | 0 | 0 | 111.5 | K180 S186 K190 S191 F192 | K180-E188 IonicContact NZ-OE1 3.22Å; S186-E188 PolarHBondContact O-N 2.95Å; E188-K190 PolarHBondContact O-N 2.8Å; E188-S191 WeakPolarHBondContact O-CB 3.37Å; E188-S191 PolarHBondContact O-N 2.72Å; E188-F192 PolarHBondContact O-N 3.29Å |
| 189 | A | 58.7 | Low | 63.4 | Low | 2 Ų | 2 | 100.1 Ų | 100.1 | 2% | 0.017 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I165 S186 S191 F192 F193 | I165-A189 HydrophobicContact CD1-CB 4.38Å; S186-A189 PolarHBondContact O-N 3Å; A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 3Å; A189-F192 PolarHBondContact O-N 2.89Å; A189-F193 VanDerWaalsContact O-CD2 3.23Å; A189-F193 WeakPolarHBondContact O-CD2 3.45Å; A189-F193 PolarHBondContact O-N 2.87Å; A189-F193 VanDerWaalsContact O-N 3.13Å |
| 190 | K | 63 | Low | 61.6 | Low | 130 Ų | 130 | 103.6 Ų | 103.6 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -34 | 176.9 | -70.1 | 171.8 | -179.9 | 164.6 | 0 | 112.8 | T185 S186 E188 K194 | T185-K190 PolarHBondContact O-NZ 3.29Å; S186-K190 PolarHBondContact O-N 3Å; E188-K190 PolarHBondContact O-N 2.8Å; K190-K194 VanDerWaalsContact O-CB 3.31Å; K190-K194 WeakPolarHBondContact O-CB 3.3Å; K190-K194 PolarHBondContact O-N 3.08Å |
| 191 | S | 62.7 | Low | 59.5 | Low | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | K187 E188 A189 K194 Q195 | K187-S191 PolarHBondContact O-N 3.46Å; K187-S191 PolarHBondContact O-OG 2.78Å; E188-S191 WeakPolarHBondContact O-CB 3.37Å; E188-S191 PolarHBondContact O-N 2.72Å; A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 3Å; S191-K194 PolarHBondContact O-N 3.25Å; S191-Q195 VanDerWaalsContact O-CB 3.32Å; S191-Q195 WeakPolarHBondContact O-CB 3.2Å; S191-Q195 PolarHBondContact O-N 3.08Å |
| 192 | F | 62.9 | Low | 57.8 | Low | 48 Ų | 48 | 105 Ų | 105 | 21% | 0.211 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 178.5 | -166.4 | -94.3 | 0 | 0 | 0 | 112.5 | I165 E188 A189 Q195 N196 | I165-F192 HydrophobicContact CD1-CB 4.42Å; I165-F192 HydrophobicContact CG2-CD1 3.75Å; I165-F192 HydrophobicContact CG2-CD2 3.69Å; I165-F192 HydrophobicContact CG2-CE1 3.67Å; I165-F192 HydrophobicContact CG2-CE2 3.61Å; I165-F192 HydrophobicContact CG2-CG 3.76Å; I165-F192 HydrophobicContact CG2-CZ 3.6Å; E188-F192 PolarHBondContact O-N 3.29Å; A189-F192 PolarHBondContact O-N 2.89Å; F192-Q195 PolarHBondContact O-N 3.37Å; F192-N196 PolarHBondContact O-N 3.46Å |
| 193 | F | 62.1 | Low | 56.3 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -40 | 175.8 | -77.5 | -74.1 | 0 | 0 | 0 | 112.9 | V163 A189 Q195 N196 E197 | V163-F193 HydrophobicContact CG1-CE2 3.58Å; V163-F193 HydrophobicContact CG1-CZ 3.49Å; V163-F193 VanDerWaalsContact CG1-CZ 3.49Å; A189-F193 VanDerWaalsContact O-CD2 3.23Å; A189-F193 WeakPolarHBondContact O-CD2 3.45Å; A189-F193 PolarHBondContact O-N 2.87Å; A189-F193 VanDerWaalsContact O-N 3.13Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 2.87Å; F193-N196 PolarHBondContact O-N 3.27Å; F193-E197 WeakPolarHBondContact O-CB 3.36Å; F193-E197 PolarHBondContact O-N 3.19Å |
| 194 | K | 69.6 | Low | 55.1 | Low | 155 Ų | 155 | 111.8 Ų | 111.8 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -34.8 | 177.1 | -163 | 80.9 | 173.5 | -176.5 | 0 | 112.5 | K190 S191 | K190-K194 VanDerWaalsContact O-CB 3.31Å; K190-K194 WeakPolarHBondContact O-CB 3.3Å; K190-K194 PolarHBondContact O-N 3.08Å; S191-K194 PolarHBondContact O-N 3.25Å |
| 195 | Q | 60.5 | Low | 54 | Low | 133 Ų | 133 | 116.4 Ų | 116.4 | 62% | 0.621 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -76.4 | -42.1 | 178.7 | -172.1 | 173 | -13.1 | 0 | 0 | 111.7 | S191 F192 F193 E197 K198 | S191-Q195 VanDerWaalsContact O-CB 3.32Å; S191-Q195 WeakPolarHBondContact O-CB 3.2Å; S191-Q195 PolarHBondContact O-N 3.08Å; F192-Q195 PolarHBondContact O-N 3.37Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 2.87Å; Q195-E197 VanDerWaalsContact C-N 3.33Å; Q195-E197 PolarHBondContact O-N 2.72Å; Q195-K198 WeakPolarHBondContact O-CB 3.21Å; Q195-K198 PolarHBondContact O-N 2.96Å; Q195-K198 VanDerWaalsContact O-N 3.16Å |
| 196 | N | 58.4 | Low | 53.6 | Low | 89 Ų | 89 | 116.8 Ų | 116.8 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68 | -29.5 | 175 | -105.5 | -6.8 | 0 | 0 | 0 | 113.3 | F192 F193 K198 E199 | F192-N196 PolarHBondContact O-N 3.46Å; F193-N196 PolarHBondContact O-N 3.27Å; N196-K198 PolarHBondContact O-N 3.25Å; N196-E199 PolarHBondContact O-N 3.27Å |
| 197 | E | 52.9 | Low | 52 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.7 | -24.2 | 173.6 | -165.6 | 176.8 | -164.9 | 0 | 0 | 112.3 | F193 Q195 | F193-E197 WeakPolarHBondContact O-CB 3.36Å; F193-E197 PolarHBondContact O-N 3.19Å; Q195-E197 VanDerWaalsContact C-N 3.33Å; Q195-E197 PolarHBondContact O-N 2.72Å |
| 198 | K | 49.9 | Very low | 50.5 | Low | 187 Ų | 187 | 115.7 Ų | 115.7 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -17.6 | 177.4 | -157.7 | 93.2 | -178.8 | -174.6 | 0 | 113.4 | Q195 N196 | Q195-K198 WeakPolarHBondContact O-CB 3.21Å; Q195-K198 PolarHBondContact O-N 2.96Å; Q195-K198 VanDerWaalsContact O-N 3.16Å; N196-K198 PolarHBondContact O-N 3.25Å |
| 199 | E | 46.8 | Very low | 49.5 | Very low | 150 Ų | 150 | 118.7 Ų | 118.7 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -106.4 | 10.3 | -175.1 | -62.5 | -147.3 | 163.1 | 0 | 0 | 114.9 | N196 | N196-E199 PolarHBondContact O-N 3.27Š|
| 200 | K | 40.5 | Very low | 49.2 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -69 | 128 | 168.5 | -74.6 | -175.6 | 178.3 | 176.5 | 0 | 110.4 | ||
| 201 | P | 37.5 | Very low | 48.1 | Very low | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.2 | 175.1 | 26.9 | -32.2 | 0 | 0 | 0 | 109.7 | A203 | P201-A203 PolarHBondContact O-N 2.87Š|
| 202 | P | 39.2 | Very low | 47.1 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 121.7 | 176.9 | 26.8 | -32 | 0 | 0 | 0 | 109.6 | N204 | P202-N204 PolarHBondContact O-N 3.49Š|
| 203 | A | 37.1 | Very low | 46.8 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P201 V205 | P201-A203 PolarHBondContact O-N 2.87Å; A203-V205 PolarHBondContact O-N 3.11Å |
| 204 | N | 41 | Very low | 45.5 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | -16.6 | 113.7 | 164.6 | -170.9 | 8.9 | 0 | 0 | 0 | 116.9 | P202 | P202-N204 PolarHBondContact O-N 3.49Š| ||
| 205 | V | 37.7 | Very low | 44 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -145.3 | 126.8 | 151.5 | -92.2 | 0 | 0 | 0 | 0 | 108.8 | A203 | A203-V205 PolarHBondContact O-N 3.11Š| ||
| 206 | P | 49.8 | Very low | 43.3 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -97.8 | 119.9 | 177.9 | 33.9 | -26.4 | 0 | 0 | 0 | 110.5 | ||||
| 207 | S | 35.9 | Very low | 42.4 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -172.5 | 129.3 | 149.9 | -154.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 208 | A | 36.9 | Very low | 42.4 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | 77.2 | 105.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 209 | L | 36.1 | Very low | 42.7 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | 86.8 | 129.1 | 138.9 | -89 | 114 | 0 | 0 | 0 | 122 | ||||
| 210 | P | 53 | Low | 43.5 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -93.2 | 125.4 | 172.2 | 35.5 | -28 | 0 | 0 | 0 | 111.2 | ||||
| 211 | S | 39.1 | Very low | 44.3 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -106.3 | 122.1 | 163.5 | 77 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 212 | L | 41.8 | Very low | 45.2 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -59.5 | 163.6 | 178.3 | -81.8 | 151.6 | 0 | 0 | 0 | 114.2 | ||||
| 213 | P | 56.6 | Low | 46.6 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -86 | 124.6 | -165.9 | 33.8 | -32.4 | 0 | 0 | 0 | 111.8 | ||||
| 214 | A | 35.7 | Very low | 48.1 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -132.8 | 104.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 215 | G | 38.8 | Very low | 49.3 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | 83 | 118 | 129.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 216 | S | 44.4 | Very low | 50.9 | Low | 138 Ų | 138 | 118.7 Ų | 118.7 | 97% | 0.965 | 74% | 0.743 | S | S | * | * | trans | 78.7 | 103.3 | 140.4 | -163.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 217 | G | 40.2 | Very low | 51.8 | Low | 63 Ų | 63 | 117.8 Ų | 117.8 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | trans | 161.2 | 56.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K219 | G217-K219 PolarHBondContact O-N 3.36Š| ||
| 218 | L | 51.7 | Low | 53.6 | Low | 153 Ų | 153 | 118.2 Ų | 118.2 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | trans | -65.9 | 70.6 | 165.6 | -174.6 | 67.7 | 0 | 0 | 0 | 109.3 | R220 | L218-R220 HydrophobicContact CG-CG 4.28Å; L218-R220 PolarHBondContact O-N 3.3Å | ||
| 219 | K | 57.9 | Low | 55.2 | Low | 193 Ų | 193 | 116.7 Ų | 116.7 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | trans | -81.3 | 97.4 | 156.9 | -57.1 | -152.5 | -167.4 | -161.4 | 0 | 104.5 | G217 S221 | G217-K219 PolarHBondContact O-N 3.36Å; K219-S221 VanDerWaalsContact C-N 3.33Å; K219-S221 PolarHBondContact O-N 3.16Å | ||
| 220 | R | 61.8 | Low | 56.6 | Low | 213 Ų | 213 | 116.1 Ų | 116.1 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | -49.6 | 103.7 | 169.2 | -64.4 | -179.5 | -65.8 | -99.8 | 0.8 | 106.5 | L218 S222 | L218-R220 HydrophobicContact CG-CG 4.28Å; L218-R220 PolarHBondContact O-N 3.3Å; R220-S222 PolarHBondContact O-N 3.12Å | ||
| 221 | S | 57.5 | Low | 57.2 | Low | 70 Ų | 70 | 116.4 Ų | 116.4 | 49% | 0.49 | 70% | 0.699 | S | S | . | * | trans | -61.9 | 108.6 | 176.2 | 48.6 | 0 | 0 | 0 | 0 | 106 | K219 S225 N226 | K219-S221 VanDerWaalsContact C-N 3.33Å; K219-S221 PolarHBondContact O-N 3.16Å; S221-S225 WeakPolarHBondContact CB-OG 3.46Å; S221-N226 PolarHBondContact OG-OD1 3.4Å; S221-N226 VanDerWaalsContact OG-OD1 3.14Å | ||
| 222 | S | 57.4 | Low | 58.3 | Low | 93 Ų | 93 | 113.6 Ų | 113.6 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | trans | -45.4 | 139 | -177.8 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | R220 M224 S225 | R220-S222 PolarHBondContact O-N 3.12Å; S222-M224 PolarHBondContact O-N 3.26Å; S222-S225 PolarHBondContact O-N 3.42Å; S222-S225 PolarHBondContact O-OG 3.38Å; S222-S225 VanDerWaalsContact O-OG 3.08Å | ||
| 223 | G | 68.6 | Low | 59.4 | Low | 61 Ų | 61 | 109.8 Ų | 109.8 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 15.7 | -158.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 224 | M | 69.3 | Low | 59.9 | Low | 152 Ų | 152 | 112.2 Ų | 112.2 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -29.4 | 175.7 | -48.4 | -174.1 | -159.9 | 0 | 0 | 112.1 | S222 L227 L228 | S222-M224 PolarHBondContact O-N 3.26Å; M224-L227 PolarHBondContact O-N 3.38Å; M224-L228 PolarHBondContact O-N 2.86Å |
| 225 | S | 65.3 | Low | 61.5 | Low | 62 Ų | 62 | 114.4 Ų | 114.4 | 43% | 0.434 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68.7 | -34.6 | -179.6 | 57 | 0 | 0 | 0 | 0 | 113.5 | S221 S222 L227 L228 G229 | S221-S225 WeakPolarHBondContact CB-OG 3.46Å; S222-S225 PolarHBondContact O-N 3.42Å; S222-S225 PolarHBondContact O-OG 3.38Å; S222-S225 VanDerWaalsContact O-OG 3.08Å; S225-L227 VanDerWaalsContact C-N 3.31Å; S225-L227 PolarHBondContact O-N 3.38Å; S225-L228 PolarHBondContact O-N 3.02Å; S225-G229 PolarHBondContact O-N 3.33Å; S225-G229 VanDerWaalsContact O-N 3.17Å |
| 226 | N | 70.6 | Confident | 63.2 | Low | 99 Ų | 99 | 116.2 Ų | 116.2 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -71.5 | -21.6 | 174.9 | -84.7 | 63.8 | 0 | 0 | 0 | 113.6 | S221 K230 | S221-N226 PolarHBondContact OG-OD1 3.4Å; S221-N226 VanDerWaalsContact OG-OD1 3.14Å; N226-K230 WeakPolarHBondContact O-CG 3.5Å; N226-K230 PolarHBondContact O-N 2.9Å |
| 227 | L | 70 | Confident | 64.9 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -80.7 | -40.2 | 174.5 | -66.1 | 177.5 | 0 | 0 | 0 | 110.8 | M224 S225 G229 K230 I231 | M224-L227 PolarHBondContact O-N 3.38Å; S225-L227 VanDerWaalsContact C-N 3.31Å; S225-L227 PolarHBondContact O-N 3.38Å; L227-G229 VanDerWaalsContact C-N 3.31Å; L227-G229 PolarHBondContact O-N 2.83Å; L227-K230 PolarHBondContact O-N 3.13Å; L227-I231 HydrophobicContact CB-CD1 4.38Å; L227-I231 WeakPolarHBondContact O-CB 3.33Å; L227-I231 WeakPolarHBondContact O-CG1 3.45Å; L227-I231 PolarHBondContact O-N 3.08Å |
| 228 | L | 72.1 | Confident | 66.7 | Low | 131 Ų | 131 | 116.6 Ų | 116.6 | 69% | 0.686 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -37.9 | 175 | -170.1 | 61.8 | 0 | 0 | 0 | 112.1 | M224 S225 K230 G232 | M224-L228 PolarHBondContact O-N 2.86Å; S225-L228 PolarHBondContact O-N 3.02Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 3.14Å; L228-G232 WeakPolarHBondContact O-CA 3.41Å; L228-G232 PolarHBondContact O-N 3.12Å |
| 229 | G | 70.8 | Confident | 68.4 | Low | 48 Ų | 48 | 112.4 Ų | 112.4 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.8 | -26.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S225 L227 A233 | S225-G229 PolarHBondContact O-N 3.33Å; S225-G229 VanDerWaalsContact O-N 3.17Å; L227-G229 VanDerWaalsContact C-N 3.31Å; L227-G229 PolarHBondContact O-N 2.83Å; G229-A233 WeakPolarHBondContact O-CB 3.16Å |
| 230 | K | 66.2 | Low | 69.9 | Low | 157 Ų | 157 | 108.2 Ų | 108.2 | 68% | 0.683 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -85.2 | -32.1 | 176.5 | -79.2 | 178.7 | 168 | -178 | 0 | 113.2 | N226 L227 L228 | N226-K230 WeakPolarHBondContact O-CG 3.5Å; N226-K230 PolarHBondContact O-N 2.9Å; L227-K230 PolarHBondContact O-N 3.13Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 3.14Å |
| 231 | I | 66.2 | Low | 71.2 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -86.8 | -35.6 | -179 | -65.2 | 161.1 | 0 | 0 | 0 | 110.9 | L227 | L227-I231 HydrophobicContact CB-CD1 4.38Å; L227-I231 WeakPolarHBondContact O-CB 3.33Å; L227-I231 WeakPolarHBondContact O-CG1 3.45Å; L227-I231 PolarHBondContact O-N 3.08Å |
| 232 | G | 62.2 | Low | 72.6 | Confident | 63 Ų | 63 | 105 Ų | 105 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.7 | -20.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | L228 | L228-G232 WeakPolarHBondContact O-CA 3.41Å; L228-G232 PolarHBondContact O-N 3.12Å |
| 233 | A | 63.7 | Low | 74.2 | Confident | 83 Ų | 83 | 103.7 Ų | 103.7 | 69% | 0.686 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -82.2 | -17.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G229 | G229-A233 WeakPolarHBondContact O-CB 3.16Š|
| 234 | K | 67.6 | Low | 75.3 | Confident | 172 Ų | 172 | 103.2 Ų | 103.2 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -101.2 | 110.7 | 168.6 | -82.4 | 175.4 | 176.4 | 174.3 | 0 | 107 | Q236 | K234-Q236 PolarHBondContact O-N 2.95Š|
| 235 | K | 68.6 | Low | 76.4 | Confident | 147 Ų | 147 | 102.4 Ų | 102.4 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | trans | -42.2 | 117.9 | 167.4 | -71 | -179 | 175.3 | -178.1 | 0 | 107.6 | K237 | K235-K237 PolarHBondContact O-N 3.46Š| ||
| 236 | Q | 75.2 | Confident | 77.6 | Confident | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | trans | -54 | 108.8 | 177.7 | 177.1 | -180 | -38.5 | 0 | 0 | 107.2 | K234 M238 | K234-Q236 PolarHBondContact O-N 2.95Å; Q236-M238 PolarHBondContact O-N 3Å | ||
| 237 | K | 79.4 | Confident | 78.7 | Confident | 179 Ų | 179 | 103.1 Ų | 103.1 | 78% | 0.778 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 118.4 | 173.3 | -64.6 | -174 | 177.1 | -175 | 0 | 105.5 | K235 S239 | K235-K237 PolarHBondContact O-N 3.46Å; K237-S239 PolarHBondContact O-N 3.06Å; K237-S239 VanDerWaalsContact O-N 3.14Å |
| 238 | M | 77.9 | Confident | 79.8 | Confident | 29 Ų | 29 | 106 Ų | 106 | 14% | 0.143 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -56.3 | 123.5 | 172.5 | -65.3 | -62.6 | -80.5 | 0 | 0 | 107.2 | F169 Q236 E242 L246 | F169-M238 HydrophobicContact CB-CG 4.04Å; F169-M238 HydrophobicContact CD1-CG 3.22Å; F169-M238 HydrophobicContact CD1-SD 3.82Å; F169-M238 HydrophobicContact CD2-CG 4.1Å; F169-M238 HydrophobicContact CE1-CG 3.4Å; F169-M238 HydrophobicContact CE1-SD 3.26Å; F169-M238 WeakPolarHBondContact CE1-SD 3.49Å; F169-M238 HydrophobicContact CE2-CG 4.25Å; F169-M238 HydrophobicContact CE2-SD 4.16Å; F169-M238 HydrophobicContact CG-CG 3.55Å; F169-M238 HydrophobicContact CG-SD 4.41Å; F169-M238 HydrophobicContact CZ-CE 4.27Å; F169-M238 HydrophobicContact CZ-CG 3.88Å; F169-M238 HydrophobicContact CZ-SD 3.42Å; F169-M238 WeakPolarHBondContact CZ-SD 3.39Å; Q236-M238 PolarHBondContact O-N 3Å; M238-E242 HydrophobicContact CE-CB 4.11Å; M238-E242 HydrophobicContact CE-CG 3.56Å; M238-E242 HydrophobicContact SD-CG 4.36Å; M238-L246 HydrophobicContact CE-CD1 3.35Å; M238-L246 HydrophobicContact CE-CG 4.46Å |
| 239 | S | 88.9 | Confident | 80.6 | Confident | 66 Ų | 66 | 104.2 Ų | 104.2 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -61 | 149.4 | 172.8 | 175.7 | 0 | 0 | 0 | 0 | 108.6 | K237 L241 E242 K243 | K237-S239 PolarHBondContact O-N 3.06Å; K237-S239 VanDerWaalsContact O-N 3.14Å; S239-L241 PolarHBondContact O-N 2.86Å; S239-L241 VanDerWaalsContact O-N 3.13Å; S239-L241 PolarHBondContact OG-N 2.85Å; S239-E242 CarbonylContact O-C 3.55Å; S239-E242 WeakPolarHBondContact O-CA 3.5Å; S239-E242 WeakPolarHBondContact O-CB 3.49Å; S239-E242 PolarHBondContact O-N 2.96Å; S239-K243 PolarHBondContact O-N 3.19Å |
| 240 | T | 88.4 | Confident | 81.6 | Confident | 104 Ų | 104 | 104.8 Ų | 104.8 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -50.6 | -37.8 | 172.3 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | S244 | T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 2.89Å |
| 241 | L | 89.1 | Confident | 82.7 | Confident | 138 Ų | 138 | 101.8 Ų | 101.8 | 72% | 0.723 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 176.7 | -170.7 | 137.4 | 0 | 0 | 0 | 112.4 | S239 K245 | S239-L241 PolarHBondContact O-N 2.86Å; S239-L241 VanDerWaalsContact O-N 3.13Å; S239-L241 PolarHBondContact OG-N 2.85Å; L241-K245 WeakPolarHBondContact O-CB 3.33Å; L241-K245 PolarHBondContact O-N 3.04Å |
| 242 | E | 86.7 | Confident | 83.9 | Confident | 78 Ų | 78 | 98.3 Ų | 98.3 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.6 | -36.4 | 179.4 | -155.2 | 174.2 | 179.9 | 0 | 0 | 111.5 | M238 S239 L246 | M238-E242 HydrophobicContact CE-CB 4.11Å; M238-E242 HydrophobicContact CE-CG 3.56Å; M238-E242 HydrophobicContact SD-CG 4.36Å; S239-E242 CarbonylContact O-C 3.55Å; S239-E242 WeakPolarHBondContact O-CA 3.5Å; S239-E242 WeakPolarHBondContact O-CB 3.49Å; S239-E242 PolarHBondContact O-N 2.96Å; E242-L246 WeakPolarHBondContact O-CG 3.28Å; E242-L246 PolarHBondContact O-N 3.01Å; E242-L246 VanDerWaalsContact O-N 3.12Å |
| 243 | K | 91.1 | Very high | 85.1 | Confident | 65 Ų | 65 | 103.2 Ų | 103.2 | 28% | 0.283 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -51.3 | 170.8 | -172.6 | -172.2 | 177 | -156.6 | 0 | 110.7 | F171 S239 K245 L246 D247 | F171-K243 HydrophobicContact CB-CD 4.47Å; F171-K243 HydrophobicContact CD1-CD 4.14Å; F171-K243 HydrophobicContact CD2-CD 3.48Å; F171-K243 VanDerWaalsContact CD2-CD 3.48Å; F171-K243 HydrophobicContact CE1-CD 4.23Å; F171-K243 HydrophobicContact CE2-CD 3.58Å; F171-K243 HydrophobicContact CG-CD 3.76Å; F171-K243 HydrophobicContact CZ-CD 3.96Å; S239-K243 PolarHBondContact O-N 3.19Å; K243-K245 VanDerWaalsContact C-N 3.3Å; K243-K245 PolarHBondContact O-N 3.27Å; K243-L246 PolarHBondContact O-N 2.94Å; K243-L246 VanDerWaalsContact O-N 3.08Å; K243-D247 WeakPolarHBondContact O-CB 3.46Å; K243-D247 PolarHBondContact O-N 3.44Å |
| 244 | S | 92.9 | Very high | 86.2 | Confident | 51 Ų | 51 | 107.3 Ų | 107.3 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | T240 L246 D247 W248 | T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 2.89Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.76Å; S244-D247 WeakPolarHBondContact O-CB 3.42Å; S244-D247 PolarHBondContact O-N 3.37Å; S244-W248 PolarHBondContact O-N 2.97Å; S244-W248 PolarHBondContact OG-NE1 3.42Å |
| 245 | K | 91.9 | Very high | 87.1 | Confident | 136 Ų | 136 | 104.8 Ų | 104.8 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57 | -46.5 | 173.8 | -176 | 177.6 | 178.9 | 177.7 | 0 | 112.1 | L241 K243 D247 W248 E249 | L241-K245 WeakPolarHBondContact O-CB 3.33Å; L241-K245 PolarHBondContact O-N 3.04Å; K243-K245 VanDerWaalsContact C-N 3.3Å; K243-K245 PolarHBondContact O-N 3.27Å; K245-D247 VanDerWaalsContact C-N 3.34Å; K245-W248 PolarHBondContact O-N 3.28Å; K245-E249 WeakPolarHBondContact O-CG 3.18Å; K245-E249 PolarHBondContact O-N 2.79Å |
| 246 | L | 90.4 | Very high | 87.8 | Confident | 67 Ų | 67 | 100 Ų | 100 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 177.3 | -78.6 | 175.9 | 0 | 0 | 0 | 112.9 | M238 E242 K243 S244 W248 E249 S250 | M238-L246 HydrophobicContact CE-CD1 3.35Å; M238-L246 HydrophobicContact CE-CG 4.46Å; E242-L246 WeakPolarHBondContact O-CG 3.28Å; E242-L246 PolarHBondContact O-N 3.01Å; E242-L246 VanDerWaalsContact O-N 3.12Å; K243-L246 PolarHBondContact O-N 2.94Å; K243-L246 VanDerWaalsContact O-N 3.08Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 2.76Å; L246-W248 VanDerWaalsContact C-N 3.32Å; L246-E249 PolarHBondContact O-N 3.44Å; L246-S250 WeakPolarHBondContact O-CB 3.48Å; L246-S250 PolarHBondContact O-N 3.31Å; L246-S250 PolarHBondContact O-OG 2.82Å |
| 247 | D | 93.6 | Very high | 88.2 | Confident | 108 Ų | 108 | 96.7 Ų | 96.7 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 178 | -146.1 | 39 | 0 | 0 | 0 | 110.4 | K243 S244 K245 S250 F251 | K243-D247 WeakPolarHBondContact O-CB 3.46Å; K243-D247 PolarHBondContact O-N 3.44Å; S244-D247 WeakPolarHBondContact O-CB 3.42Å; S244-D247 PolarHBondContact O-N 3.37Å; K245-D247 VanDerWaalsContact C-N 3.34Å; D247-S250 PolarHBondContact O-N 2.77Å; D247-F251 VanDerWaalsContact O-CB 3.28Å; D247-F251 WeakPolarHBondContact O-CB 3.37Å; D247-F251 PolarHBondContact O-N 3.31Å |
| 248 | W | 92.5 | Very high | 88.3 | Confident | 162 Ų | 162 | 89.9 Ų | 89.9 | 61% | 0.614 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.5 | -42.1 | 174.5 | -76 | 114.7 | 0 | 0 | 0 | 113.5 | S244 K245 L246 S250 K252 | S244-W248 PolarHBondContact O-N 2.97Å; S244-W248 PolarHBondContact OG-NE1 3.42Å; K245-W248 PolarHBondContact O-N 3.28Å; L246-W248 VanDerWaalsContact C-N 3.32Å; W248-S250 VanDerWaalsContact C-N 3.35Å; W248-K252 WeakPolarHBondContact O-CB 3.28Å; W248-K252 VanDerWaalsContact O-CE 3.28Å; W248-K252 WeakPolarHBondContact O-CE 3.37Å; W248-K252 VanDerWaalsContact O-CG 3.27Å; W248-K252 WeakPolarHBondContact O-CG 3.36Å; W248-K252 PolarHBondContact O-N 3.21Å |
| 249 | E | 88.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 175.4 | -67.3 | -58.4 | 145.6 | 0 | 0 | 111.4 | K245 L246 K252 E253 | K245-E249 WeakPolarHBondContact O-CG 3.18Å; K245-E249 PolarHBondContact O-N 2.79Å; L246-E249 PolarHBondContact O-N 3.44Å; E249-K252 PolarHBondContact O-N 2.84Å; E249-K252 IonicContact OE1-NZ 2.94Å; E249-K252 PolarHBondContact OE1-NZ 2.87Å; E249-K252 WeakPolarHBondContact OE2-CE 3.17Å; E249-K252 IonicContact OE2-NZ 3.52Å; E249-K252 PolarHBondContact OE2-NZ 3.38Å; E249-E253 PolarHBondContact O-N 2.83Å; E249-E253 VanDerWaalsContact O-N 3.12Å |
| 250 | S | 91.3 | Very high | 87.5 | Confident | 60 Ų | 60 | 99.1 Ų | 99.1 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 179.8 | -52 | 0 | 0 | 0 | 0 | 111.4 | L246 D247 W248 K252 E253 E254 | L246-S250 WeakPolarHBondContact O-CB 3.48Å; L246-S250 PolarHBondContact O-N 3.31Å; L246-S250 PolarHBondContact O-OG 2.82Å; D247-S250 PolarHBondContact O-N 2.77Å; W248-S250 VanDerWaalsContact C-N 3.35Å; S250-K252 VanDerWaalsContact C-N 3.34Å; S250-K252 PolarHBondContact O-N 2.78Å; S250-E253 PolarHBondContact O-N 2.9Å; S250-E253 VanDerWaalsContact O-N 3.16Å; S250-E254 WeakPolarHBondContact O-CB 3.27Å; S250-E254 PolarHBondContact O-N 3.19Å |
| 251 | F | 89.9 | Confident | 86.9 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 175 | 179.6 | -103.4 | 0 | 0 | 0 | 111.8 | D247 E253 E254 E255 I257 | D247-F251 VanDerWaalsContact O-CB 3.28Å; D247-F251 WeakPolarHBondContact O-CB 3.37Å; D247-F251 PolarHBondContact O-N 3.31Å; F251-E253 VanDerWaalsContact C-N 3.27Å; F251-E253 PolarHBondContact O-N 3.12Å; F251-E254 PolarHBondContact O-N 2.84Å; F251-E255 HydrophobicContact CD2-CG 3.99Å; F251-E255 HydrophobicContact CE1-CG 4.22Å; F251-E255 HydrophobicContact CE2-CG 3.55Å; F251-E255 HydrophobicContact CG-CG 4.5Å; F251-E255 HydrophobicContact CZ-CG 3.69Å; F251-E255 WeakPolarHBondContact O-CB 3.36Å; F251-E255 PolarHBondContact O-N 2.79Å; F251-I257 HydrophobicContact CD1-CD1 3.97Å; F251-I257 HydrophobicContact CE1-CD1 3.66Å |
| 252 | K | 92.1 | Very high | 86.3 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 24% | 0.243 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.3 | -32.4 | 175.9 | -74.9 | -179.2 | -63 | 171.8 | 0 | 113.3 | W248 E249 S250 G256 I257 G258 L261 | W248-K252 WeakPolarHBondContact O-CB 3.28Å; W248-K252 VanDerWaalsContact O-CE 3.28Å; W248-K252 WeakPolarHBondContact O-CE 3.37Å; W248-K252 VanDerWaalsContact O-CG 3.27Å; W248-K252 WeakPolarHBondContact O-CG 3.36Å; W248-K252 PolarHBondContact O-N 3.21Å; E249-K252 PolarHBondContact O-N 2.84Å; E249-K252 IonicContact OE1-NZ 2.94Å; E249-K252 PolarHBondContact OE1-NZ 2.87Å; E249-K252 WeakPolarHBondContact OE2-CE 3.17Å; E249-K252 IonicContact OE2-NZ 3.52Å; E249-K252 PolarHBondContact OE2-NZ 3.38Å; S250-K252 VanDerWaalsContact C-N 3.34Å; S250-K252 PolarHBondContact O-N 2.78Å; K252-G256 PolarHBondContact O-N 3.48Å; K252-I257 HydrophobicContact CB-CG1 4.33Å; K252-I257 HydrophobicContact CG-CD1 4.27Å; K252-I257 HydrophobicContact CG-CG1 4.28Å; K252-I257 PolarHBondContact O-N 3.49Å; K252-G258 PolarHBondContact O-N 2.86Å; K252-L261 HydrophobicContact CD-CD2 4.5Å |
| 253 | E | 86 | Confident | 85.5 | Confident | 165 Ų | 165 | 94.8 Ų | 94.8 | 77% | 0.771 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -77.5 | -44.3 | 178.3 | -173 | 174.3 | -173.8 | 0 | 0 | 111.6 | E249 S250 F251 G256 | E249-E253 PolarHBondContact O-N 2.83Å; E249-E253 VanDerWaalsContact O-N 3.12Å; S250-E253 PolarHBondContact O-N 2.9Å; S250-E253 VanDerWaalsContact O-N 3.16Å; F251-E253 VanDerWaalsContact C-N 3.27Å; F251-E253 PolarHBondContact O-N 3.12Å; E253-G256 PolarHBondContact O-N 2.78Å |
| 254 | E | 87.6 | Confident | 84.3 | Confident | 170 Ų | 170 | 98.2 Ų | 98.2 | 79% | 0.794 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 179.7 | -176.6 | 171.1 | -168.7 | 0 | 0 | 112.4 | S250 F251 G256 | S250-E254 WeakPolarHBondContact O-CB 3.27Å; S250-E254 PolarHBondContact O-N 3.19Å; F251-E254 PolarHBondContact O-N 2.84Å; E254-G256 PolarHBondContact O-N 3.04Å |
| 255 | E | 86.3 | Confident | 83.1 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -76.5 | -9.3 | 177.3 | -71.2 | -72.4 | 155 | 0 | 0 | 112.5 | F251 I257 | F251-E255 HydrophobicContact CD2-CG 3.99Å; F251-E255 HydrophobicContact CE1-CG 4.22Å; F251-E255 HydrophobicContact CE2-CG 3.55Å; F251-E255 HydrophobicContact CG-CG 4.5Å; F251-E255 HydrophobicContact CZ-CG 3.69Å; F251-E255 WeakPolarHBondContact O-CB 3.36Å; F251-E255 PolarHBondContact O-N 2.79Å; E255-I257 HydrophobicContact CB-CB 4.43Å; E255-I257 HydrophobicContact CB-CD1 4.16Å; E255-I257 HydrophobicContact CB-CG1 3.9Å; E255-I257 HydrophobicContact CB-CG2 3.95Å; E255-I257 PolarHBondContact O-N 3.43Å |
| 256 | G | 83.4 | Confident | 82.1 | Confident | 47 Ų | 47 | 106 Ų | 106 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | trans | 63.8 | 3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K252 E253 E254 G258 E259 | K252-G256 PolarHBondContact O-N 3.48Å; E253-G256 PolarHBondContact O-N 2.78Å; E254-G256 PolarHBondContact O-N 3.04Å; G256-G258 PolarHBondContact O-N 3.26Å; G256-G258 VanDerWaalsContact O-N 3.11Å; G256-E259 PolarHBondContact O-N 3.36Å | ||
| 257 | I | 83.4 | Confident | 81 | Confident | 45 Ų | 45 | 103.8 Ų | 103.8 | 23% | 0.231 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -66.8 | -10.1 | 179.7 | 57.7 | 175.3 | 0 | 0 | 0 | 112.9 | F251 K252 E255 E259 E260 L261 | F251-I257 HydrophobicContact CD1-CD1 3.97Å; F251-I257 HydrophobicContact CE1-CD1 3.66Å; K252-I257 HydrophobicContact CB-CG1 4.33Å; K252-I257 HydrophobicContact CG-CD1 4.27Å; K252-I257 HydrophobicContact CG-CG1 4.28Å; K252-I257 PolarHBondContact O-N 3.49Å; E255-I257 HydrophobicContact CB-CB 4.43Å; E255-I257 HydrophobicContact CB-CD1 4.16Å; E255-I257 HydrophobicContact CB-CG1 3.9Å; E255-I257 HydrophobicContact CB-CG2 3.95Å; E255-I257 PolarHBondContact O-N 3.43Å; I257-E259 PolarHBondContact O-N 3.03Å; I257-E260 PolarHBondContact O-N 3.43Å; I257-L261 WeakPolarHBondContact O-CB 3.34Å; I257-L261 PolarHBondContact O-N 3.13Å |
| 258 | G | 81.9 | Confident | 79.4 | Confident | 35 Ų | 35 | 106.1 Ų | 106.1 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -54.4 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K252 G256 A262 | K252-G258 PolarHBondContact O-N 2.86Å; G256-G258 PolarHBondContact O-N 3.26Å; G256-G258 VanDerWaalsContact O-N 3.11Å; G258-A262 WeakPolarHBondContact O-CB 3.14Å; G258-A262 PolarHBondContact O-N 3.23Å |
| 259 | E | 73.3 | Confident | 78.1 | Confident | 155 Ų | 155 | 104.9 Ų | 104.9 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74.9 | -41.9 | 178 | -64.9 | -172.1 | 175.9 | 0 | 0 | 112 | G256 I257 A262 I263 | G256-E259 PolarHBondContact O-N 3.36Å; I257-E259 PolarHBondContact O-N 3.03Å; E259-A262 PolarHBondContact O-N 3.27Å; E259-I263 WeakPolarHBondContact O-CB 3.33Å; E259-I263 WeakPolarHBondContact O-CD1 3.12Å; E259-I263 WeakPolarHBondContact O-CG1 2.91Å; E259-I263 PolarHBondContact O-N 2.89Å |
| 260 | E | 75.8 | Confident | 77.4 | Confident | 134 Ų | 134 | 101.6 Ų | 101.6 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 176.4 | -176.6 | 175.8 | -175.5 | 0 | 0 | 112 | I257 A262 I263 H264 | I257-E260 PolarHBondContact O-N 3.43Å; E260-A262 VanDerWaalsContact C-N 3.32Å; E260-A262 PolarHBondContact O-N 3.37Å; E260-I263 PolarHBondContact O-N 2.92Å; E260-H264 WeakPolarHBondContact O-CB 3.43Å; E260-H264 PolarHBondContact O-N 2.96Å |
| 261 | L | 75.9 | Confident | 77 | Confident | 85 Ų | 85 | 107 Ų | 107 | 45% | 0.445 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 176.6 | -148.5 | 78.4 | 0 | 0 | 0 | 110.6 | K252 I257 N265 | K252-L261 HydrophobicContact CD-CD2 4.5Å; I257-L261 WeakPolarHBondContact O-CB 3.34Å; I257-L261 PolarHBondContact O-N 3.13Å; L261-N265 VanDerWaalsContact O-CB 3.22Å; L261-N265 WeakPolarHBondContact O-CB 3.44Å; L261-N265 PolarHBondContact O-N 3.46Å; L261-N265 PolarHBondContact O-ND2 2.85Å |
| 262 | A | 76.5 | Confident | 76.9 | Confident | 53 Ų | 53 | 109.4 Ų | 109.4 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G258 E259 E260 N265 R266 | G258-A262 WeakPolarHBondContact O-CB 3.14Å; G258-A262 PolarHBondContact O-N 3.23Å; E259-A262 PolarHBondContact O-N 3.27Å; E260-A262 VanDerWaalsContact C-N 3.32Å; E260-A262 PolarHBondContact O-N 3.37Å; A262-N265 PolarHBondContact O-N 3.06Å; A262-R266 WeakPolarHBondContact O-CA 3.22Å; A262-R266 WeakPolarHBondContact O-CB 3.32Å; A262-R266 PolarHBondContact O-N 3.37Å |
| 263 | I | 70.6 | Confident | 76.6 | Confident | 91 Ų | 91 | 111.6 Ų | 111.6 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.4 | -42.4 | 175.7 | -69.3 | 159.8 | 0 | 0 | 0 | 110.7 | E259 E260 R266 G267 | E259-I263 WeakPolarHBondContact O-CB 3.33Å; E259-I263 WeakPolarHBondContact O-CD1 3.12Å; E259-I263 WeakPolarHBondContact O-CG1 2.91Å; E259-I263 PolarHBondContact O-N 2.89Å; E260-I263 PolarHBondContact O-N 2.92Å; I263-R266 PolarHBondContact O-N 3.42Å; I263-G267 CarbonylContact O-C 3.56Å; I263-G267 PolarHBondContact O-N 3.42Å |
| 264 | H | 66.8 | Low | 76.7 | Confident | 137 Ų | 137 | 110 Ų | 110 | 63% | 0.634 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 176.8 | -173.6 | -92.5 | 0 | 0 | 0 | 111.5 | E260 R266 | E260-H264 WeakPolarHBondContact O-CB 3.43Å; E260-H264 PolarHBondContact O-N 2.96Å; H264-R266 VanDerWaalsContact C-N 3.33Å |
| 265 | N | 67.4 | Low | 77 | Confident | 127 Ų | 127 | 106.2 Ų | 106.2 | 68% | 0.679 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.4 | -27.5 | 172.9 | -74 | -44.3 | 0 | 0 | 0 | 112.9 | L261 A262 | L261-N265 VanDerWaalsContact O-CB 3.22Å; L261-N265 WeakPolarHBondContact O-CB 3.44Å; L261-N265 PolarHBondContact O-N 3.46Å; L261-N265 PolarHBondContact O-ND2 2.85Å; A262-N265 PolarHBondContact O-N 3.06Å |
| 266 | R | 70.5 | Confident | 77.2 | Confident | 223 Ų | 223 | 102.7 Ų | 102.7 | 84% | 0.842 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -92 | -32.3 | -174.5 | -174.4 | -178.5 | 174.1 | 97.1 | 3.8 | 113.8 | A262 I263 H264 | A262-R266 WeakPolarHBondContact O-CA 3.22Å; A262-R266 WeakPolarHBondContact O-CB 3.32Å; A262-R266 PolarHBondContact O-N 3.37Å; I263-R266 PolarHBondContact O-N 3.42Å; H264-R266 VanDerWaalsContact C-N 3.33Å |
| 267 | G | 66.4 | Low | 77.7 | Confident | 21 Ų | 21 | 106.4 Ų | 106.4 | 22% | 0.216 | 52% | 0.521 | C | S | . | . | S | Bend | trans | 158.6 | 90.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | I263 E273 | I263-G267 CarbonylContact O-C 3.56Å; I263-G267 PolarHBondContact O-N 3.42Å; G267-E273 WeakPolarHBondContact CA-OE2 3.37Å |
| 268 | K | 61.4 | Low | 78.3 | Confident | 157 Ų | 157 | 108.7 Ų | 108.7 | 68% | 0.683 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -125.7 | -33.9 | 141.8 | -98 | 179.9 | 174.6 | 179.2 | 0 | 111.3 | ||
| 269 | E | 63.8 | Low | 79 | Confident | 136 Ų | 136 | 110 Ų | 110 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -131.9 | 33.3 | 172.9 | -97.8 | 84.4 | -159.6 | 0 | 0 | 112.5 | R274 | E269-R274 PolarHBondContact O-NH1 3.11Å; E269-R274 PolarHBondContact O-NH2 3.29Å |
| 270 | G | 76 | Confident | 80.1 | Confident | 24 Ų | 24 | 111.1 Ų | 111.1 | 25% | 0.247 | 53% | 0.529 | C | S | . | . | trans | -66.5 | 144.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I272 E273 R274 | G270-I272 VanDerWaalsContact C-N 3.26Å; G270-I272 PolarHBondContact O-N 2.88Å; G270-E273 PolarHBondContact O-N 3.47Å; G270-E273 VanDerWaalsContact O-N 3.11Å; G270-R274 PolarHBondContact O-N 3.05Å | ||
| 271 | Y | 83 | Confident | 81.1 | Confident | 175 Ų | 175 | 107 Ų | 107 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.2 | -41.1 | 175.4 | 174.6 | -99.5 | 0 | 0 | 0 | 112.7 | E273 R274 K275 | Y271-E273 VanDerWaalsContact C-N 3.31Å; Y271-E273 PolarHBondContact O-N 3.16Å; Y271-R274 PolarHBondContact O-N 3.35Å; Y271-K275 WeakPolarHBondContact O-CB 3.42Å; Y271-K275 PolarHBondContact O-N 2.93Å |
| 272 | I | 86.9 | Confident | 82.1 | Confident | 144 Ų | 144 | 107.1 Ų | 107.1 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 178.5 | -62.2 | 174.6 | 0 | 0 | 0 | 111 | G270 K275 A276 | G270-I272 VanDerWaalsContact C-N 3.26Å; G270-I272 PolarHBondContact O-N 2.88Å; I272-K275 PolarHBondContact O-N 3.29Å; I272-A276 WeakPolarHBondContact O-CB 3.4Å; I272-A276 PolarHBondContact O-N 2.72Å |
| 273 | E | 85.6 | Confident | 83.1 | Confident | 101 Ų | 101 | 110.5 Ų | 110.5 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.4 | -41.6 | -179.7 | -174.3 | 157.6 | -150.2 | 0 | 0 | 111.9 | G267 G270 Y271 K275 A276 F277 | G267-E273 WeakPolarHBondContact CA-OE2 3.37Å; G270-E273 PolarHBondContact O-N 3.47Å; G270-E273 VanDerWaalsContact O-N 3.11Å; Y271-E273 VanDerWaalsContact C-N 3.31Å; Y271-E273 PolarHBondContact O-N 3.16Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 3.01Å; E273-A276 PolarHBondContact O-N 2.78Å; E273-F277 WeakPolarHBondContact O-CB 3.24Å; E273-F277 PolarHBondContact O-N 2.87Å |
| 274 | R | 88.8 | Confident | 84.4 | Confident | 131 Ų | 131 | 114.6 Ų | 114.6 | 49% | 0.494 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57 | -42 | 170.5 | -72.8 | -168.4 | -72.5 | -107.8 | -4.7 | 111.6 | E269 G270 Y271 F277 L278 | E269-R274 PolarHBondContact O-NH1 3.11Å; E269-R274 PolarHBondContact O-NH2 3.29Å; G270-R274 PolarHBondContact O-N 3.05Å; Y271-R274 PolarHBondContact O-N 3.35Å; R274-F277 PolarHBondContact O-N 3.2Å; R274-L278 WeakPolarHBondContact O-CG 3.48Å; R274-L278 PolarHBondContact O-N 3.16Å |
| 275 | K | 92.4 | Very high | 85.8 | Confident | 91 Ų | 91 | 113.8 Ų | 113.8 | 40% | 0.396 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 177.3 | -175.6 | 52.9 | 178.1 | 150.1 | 0 | 112.1 | Y271 I272 E273 F277 L278 D279 | Y271-K275 WeakPolarHBondContact O-CB 3.42Å; Y271-K275 PolarHBondContact O-N 2.93Å; I272-K275 PolarHBondContact O-N 3.29Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 3.01Å; K275-F277 VanDerWaalsContact C-N 3.27Å; K275-F277 PolarHBondContact O-N 2.89Å; K275-L278 PolarHBondContact O-N 2.95Å; K275-D279 WeakPolarHBondContact CE-OD1 3.36Å; K275-D279 IonicContact NZ-OD1 3.12Å; K275-D279 PolarHBondContact NZ-OD1 3.44Å; K275-D279 IonicContact NZ-OD2 2.8Å; K275-D279 VanDerWaalsContact O-CG 3.27Å; K275-D279 PolarHBondContact O-N 3.25Å |
| 276 | A | 92.2 | Very high | 87.2 | Confident | 44 Ų | 44 | 113.2 Ų | 113.2 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I272 E273 R280 | I272-A276 WeakPolarHBondContact O-CB 3.4Å; I272-A276 PolarHBondContact O-N 2.72Å; E273-A276 PolarHBondContact O-N 2.78Å; A276-R280 WeakPolarHBondContact O-CB 3.33Å; A276-R280 PolarHBondContact O-N 2.9Å |
| 277 | F | 93.7 | Very high | 88.4 | Confident | 126 Ų | 126 | 107.8 Ų | 107.8 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -50.3 | 172.7 | 173.9 | -95 | 0 | 0 | 0 | 111.5 | E273 R274 K275 D279 R280 V281 | E273-F277 WeakPolarHBondContact O-CB 3.24Å; E273-F277 PolarHBondContact O-N 2.87Å; R274-F277 PolarHBondContact O-N 3.2Å; K275-F277 VanDerWaalsContact C-N 3.27Å; K275-F277 PolarHBondContact O-N 2.89Å; F277-D279 VanDerWaalsContact C-N 3.33Å; F277-D279 PolarHBondContact O-N 3.42Å; F277-R280 PolarHBondContact O-N 3.01Å; F277-R280 VanDerWaalsContact O-N 3.16Å; F277-V281 HydrophobicContact CD1-CG2 4.17Å; F277-V281 HydrophobicContact CD2-CG2 4.31Å; F277-V281 HydrophobicContact CE1-CG2 3.71Å; F277-V281 HydrophobicContact CE2-CG2 3.87Å; F277-V281 HydrophobicContact CG-CG2 4.45Å; F277-V281 HydrophobicContact CZ-CG2 3.55Å; F277-V281 WeakPolarHBondContact O-CG2 3.37Å; F277-V281 PolarHBondContact O-N 3.45Å |
| 278 | L | 95.9 | Very high | 89.8 | Confident | 93 Ų | 93 | 111.2 Ų | 111.2 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.5 | -49.4 | 175.8 | -78.6 | 158.1 | 0 | 0 | 0 | 111.1 | R274 K275 R280 V281 D282 | R274-L278 WeakPolarHBondContact O-CG 3.48Å; R274-L278 PolarHBondContact O-N 3.16Å; K275-L278 PolarHBondContact O-N 2.95Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 2.87Å; L278-V281 PolarHBondContact O-N 3.36Å; L278-D282 WeakPolarHBondContact O-CB 3.4Å; L278-D282 PolarHBondContact O-N 3.42Å |
| 279 | D | 96.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 108 Ų | 108 | 34% | 0.337 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 179.5 | -64.2 | -17.4 | 0 | 0 | 0 | 111.4 | K275 F277 H283 | K275-D279 WeakPolarHBondContact CE-OD1 3.36Å; K275-D279 IonicContact NZ-OD1 3.12Å; K275-D279 PolarHBondContact NZ-OD1 3.44Å; K275-D279 IonicContact NZ-OD2 2.8Å; K275-D279 VanDerWaalsContact O-CG 3.27Å; K275-D279 PolarHBondContact O-N 3.25Å; F277-D279 VanDerWaalsContact C-N 3.33Å; F277-D279 PolarHBondContact O-N 3.42Å; D279-H283 WeakPolarHBondContact O-CB 3.44Å; D279-H283 PolarHBondContact O-CD2 2.91Å; D279-H283 PolarHBondContact O-N 2.68Å |
| 280 | R | 96.5 | Very high | 93 | Very high | 178 Ų | 178 | 107.1 Ų | 107.1 | 67% | 0.672 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -40.8 | 176.8 | -169.9 | -172.8 | -57.4 | 163.6 | 4.6 | 112.3 | A276 F277 L278 R284 | A276-R280 WeakPolarHBondContact O-CB 3.33Å; A276-R280 PolarHBondContact O-N 2.9Å; F277-R280 PolarHBondContact O-N 3.01Å; F277-R280 VanDerWaalsContact O-N 3.16Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 2.87Å; R280-R284 WeakPolarHBondContact O-CB 3.42Å; R280-R284 PolarHBondContact O-N 3.34Å |
| 281 | V | 97 | Very high | 93.9 | Very high | 47 Ų | 47 | 109.8 Ų | 109.8 | 29% | 0.285 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | F277 L278 H283 R284 Q285 | F277-V281 HydrophobicContact CD1-CG2 4.17Å; F277-V281 HydrophobicContact CD2-CG2 4.31Å; F277-V281 HydrophobicContact CE1-CG2 3.71Å; F277-V281 HydrophobicContact CE2-CG2 3.87Å; F277-V281 HydrophobicContact CG-CG2 4.45Å; F277-V281 HydrophobicContact CZ-CG2 3.55Å; F277-V281 WeakPolarHBondContact O-CG2 3.37Å; F277-V281 PolarHBondContact O-N 3.45Å; L278-V281 PolarHBondContact O-N 3.36Å; V281-H283 VanDerWaalsContact C-N 3.33Å; V281-H283 PolarHBondContact O-N 3.12Å; V281-R284 PolarHBondContact O-N 2.82Å; V281-R284 VanDerWaalsContact O-N 3.16Å; V281-Q285 HydrophobicContact CG1-CG 4.42Å; V281-Q285 WeakPolarHBondContact O-CG 3.39Å; V281-Q285 PolarHBondContact O-N 2.93Å |
| 282 | D | 97.3 | Very high | 94.5 | Very high | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 177.5 | -75.4 | -4.3 | 0 | 0 | 0 | 111 | L278 R284 Q285 F286 | L278-D282 WeakPolarHBondContact O-CB 3.4Å; L278-D282 PolarHBondContact O-N 3.42Å; D282-R284 PolarHBondContact O-N 3.42Å; D282-Q285 PolarHBondContact O-N 2.92Å; D282-F286 WeakPolarHBondContact O-CB 3.47Å; D282-F286 PolarHBondContact O-N 2.95Å |
| 283 | H | 97.2 | Very high | 94.8 | Very high | 123 Ų | 123 | 105 Ų | 105 | 57% | 0.569 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.7 | -45.5 | 175.2 | -85 | -60.9 | 0 | 0 | 0 | 112.5 | D279 V281 Q285 F286 E287 | D279-H283 WeakPolarHBondContact O-CB 3.44Å; D279-H283 PolarHBondContact O-CD2 2.91Å; D279-H283 PolarHBondContact O-N 2.68Å; V281-H283 VanDerWaalsContact C-N 3.33Å; V281-H283 PolarHBondContact O-N 3.12Å; H283-Q285 PolarHBondContact O-N 3.34Å; H283-F286 WeakPolarHBondContact O-CB 3.46Å; H283-F286 PolarHBondContact O-N 3.26Å; H283-E287 WeakPolarHBondContact O-CG 3.41Å; H283-E287 PolarHBondContact O-N 3.48Å |
| 284 | R | 97.1 | Very high | 95.2 | Very high | 177 Ų | 177 | 104.9 Ų | 104.9 | 67% | 0.668 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 179.6 | -171.6 | 179.1 | -175.2 | -175.1 | 1.6 | 111.9 | R280 V281 D282 F286 E287 I288 | R280-R284 WeakPolarHBondContact O-CB 3.42Å; R280-R284 PolarHBondContact O-N 3.34Å; V281-R284 PolarHBondContact O-N 2.82Å; V281-R284 VanDerWaalsContact O-N 3.16Å; D282-R284 PolarHBondContact O-N 3.42Å; R284-F286 VanDerWaalsContact C-N 3.35Å; R284-E287 PolarHBondContact O-N 3.46Å; R284-I288 HydrophobicContact CG-CD1 4.23Å; R284-I288 WeakPolarHBondContact O-CD1 3.41Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.42Å; R284-I288 PolarHBondContact O-N 3.46Å; R284-I288 VanDerWaalsContact O-N 3.12Å |
| 285 | Q | 96.4 | Very high | 95.4 | Very high | 120 Ų | 120 | 102.7 Ų | 102.7 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -44 | 174.9 | -72 | -177.8 | 6.3 | 0 | 0 | 111.1 | V281 D282 H283 E287 I288 E289 | V281-Q285 HydrophobicContact CG1-CG 4.42Å; V281-Q285 WeakPolarHBondContact O-CG 3.39Å; V281-Q285 PolarHBondContact O-N 2.93Å; D282-Q285 PolarHBondContact O-N 2.92Å; H283-Q285 PolarHBondContact O-N 3.34Å; Q285-E287 PolarHBondContact O-N 3.37Å; Q285-I288 PolarHBondContact O-N 2.92Å; Q285-E289 WeakPolarHBondContact O-CB 3.28Å; Q285-E289 PolarHBondContact O-N 3.35Å |
| 286 | F | 96.6 | Very high | 95.3 | Very high | 116 Ų | 116 | 106.1 Ų | 106.1 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.5 | 173.9 | -99.4 | 0 | 0 | 0 | 112.2 | D282 H283 R284 E289 R290 | D282-F286 WeakPolarHBondContact O-CB 3.47Å; D282-F286 PolarHBondContact O-N 2.95Å; H283-F286 WeakPolarHBondContact O-CB 3.46Å; H283-F286 PolarHBondContact O-N 3.26Å; R284-F286 VanDerWaalsContact C-N 3.35Å; F286-E289 PolarHBondContact O-N 3.27Å; F286-R290 VanDerWaalsContact O-CB 3.22Å; F286-R290 WeakPolarHBondContact O-CB 3.32Å; F286-R290 PolarHBondContact O-N 2.93Å |
| 287 | E | 96.5 | Very high | 94.9 | Very high | 108 Ų | 108 | 111.1 Ų | 111.1 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.3 | -73 | 178.4 | 164.3 | 0 | 0 | 112.1 | H283 R284 Q285 E289 R290 D291 | H283-E287 WeakPolarHBondContact O-CG 3.41Å; H283-E287 PolarHBondContact O-N 3.48Å; R284-E287 PolarHBondContact O-N 3.46Å; Q285-E287 PolarHBondContact O-N 3.37Å; E287-E289 VanDerWaalsContact C-N 3.34Å; E287-E289 PolarHBondContact O-N 3.49Å; E287-R290 PolarHBondContact O-N 3.43Å; E287-D291 WeakPolarHBondContact O-CB 3.44Å; E287-D291 VanDerWaalsContact O-CG 3.22Å; E287-D291 PolarHBondContact O-N 3.09Å |
| 288 | I | 96 | Very high | 94 | Very high | 94 Ų | 94 | 114 Ų | 114 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.6 | -67 | 164.6 | 0 | 0 | 0 | 110.6 | R284 Q285 D291 L292 | R284-I288 HydrophobicContact CG-CD1 4.23Å; R284-I288 WeakPolarHBondContact O-CD1 3.41Å; R284-I288 VanDerWaalsContact O-CG1 3.28Å; R284-I288 WeakPolarHBondContact O-CG1 3.42Å; R284-I288 PolarHBondContact O-N 3.46Å; R284-I288 VanDerWaalsContact O-N 3.12Å; Q285-I288 PolarHBondContact O-N 2.92Å; I288-D291 PolarHBondContact O-N 3.05Å; I288-L292 HydrophobicContact CG2-CD1 4.17Å; I288-L292 WeakPolarHBondContact O-CB 3.49Å; I288-L292 PolarHBondContact O-N 3.22Å |
| 289 | E | 95.9 | Very high | 92.6 | Very high | 88 Ų | 88 | 118.8 Ų | 118.8 | 41% | 0.411 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.7 | -42.6 | 179.4 | -167.3 | -172.3 | -159.5 | 0 | 0 | 111.7 | Q285 F286 E287 D291 L292 R293 | Q285-E289 WeakPolarHBondContact O-CB 3.28Å; Q285-E289 PolarHBondContact O-N 3.35Å; F286-E289 PolarHBondContact O-N 3.27Å; E287-E289 VanDerWaalsContact C-N 3.34Å; E287-E289 PolarHBondContact O-N 3.49Å; E289-D291 VanDerWaalsContact C-N 3.32Å; E289-D291 PolarHBondContact O-N 3.24Å; E289-L292 WeakPolarHBondContact O-CB 3.22Å; E289-L292 PolarHBondContact O-N 3.34Å; E289-R293 WeakPolarHBondContact O-CG 3.39Å; E289-R293 PolarHBondContact O-N 3.05Å; E289-R293 IonicContact OE1-CZ 2.76Å; E289-R293 IonicContact OE1-NE 2.72Å; E289-R293 IonicContact OE1-NH1 3.99Å; E289-R293 IonicContact OE1-NH2 3.09Å; E289-R293 PolarHBondContact OE1-NH2 3.05Å; E289-R293 IonicContact OE2-CZ 3.78Å; E289-R293 IonicContact OE2-NH1 2.62Å; E289-R293 PolarHBondContact OE2-NH1 2.85Å; E289-R293 IonicContact OE2-NH2 3.57Å; E289-R293 PolarHBondContact OE2-NH2 2.88Å; E289-R293 VanDerWaalsContact OE2-NH2 3.09Å |
| 290 | R | 95.8 | Very high | 92.5 | Very high | 119 Ų | 119 | 121.6 Ų | 121.6 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.5 | -46.8 | 175.2 | -174.8 | -156.3 | 70.7 | 164.9 | -3.6 | 110.5 | F286 E287 R293 L294 | F286-R290 VanDerWaalsContact O-CB 3.22Å; F286-R290 WeakPolarHBondContact O-CB 3.32Å; F286-R290 PolarHBondContact O-N 2.93Å; E287-R290 PolarHBondContact O-N 3.43Å; R290-R293 PolarHBondContact O-N 3.5Å; R290-L294 HydrophobicContact CG-CD1 4.03Å; R290-L294 WeakPolarHBondContact O-CB 3.19Å; R290-L294 VanDerWaalsContact O-CG 3.32Å; R290-L294 WeakPolarHBondContact O-CG 3.31Å; R290-L294 PolarHBondContact O-N 2.8Å |
| 291 | D | 95.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 118.6 Ų | 118.6 | 43% | 0.428 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -35.7 | -179.9 | -68.9 | -3.7 | 0 | 0 | 0 | 111.8 | E287 I288 E289 L294 S295 | E287-D291 WeakPolarHBondContact O-CB 3.44Å; E287-D291 VanDerWaalsContact O-CG 3.22Å; E287-D291 PolarHBondContact O-N 3.09Å; I288-D291 PolarHBondContact O-N 3.05Å; E289-D291 VanDerWaalsContact C-N 3.32Å; E289-D291 PolarHBondContact O-N 3.24Å; D291-L294 PolarHBondContact O-N 2.85Å; D291-S295 VanDerWaalsContact O-CB 3.26Å; D291-S295 WeakPolarHBondContact O-CB 3.48Å; D291-S295 PolarHBondContact O-N 3.09Å; D291-S295 PolarHBondContact O-OG 2.8Å |
| 292 | L | 94.6 | Very high | 92 | Very high | 86 Ų | 86 | 122.6 Ų | 122.6 | 45% | 0.45 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63 | -42.5 | 170.3 | -91.6 | 165.4 | 0 | 0 | 0 | 112.3 | I288 E289 S295 K296 | I288-L292 HydrophobicContact CG2-CD1 4.17Å; I288-L292 WeakPolarHBondContact O-CB 3.49Å; I288-L292 PolarHBondContact O-N 3.22Å; E289-L292 WeakPolarHBondContact O-CB 3.22Å; E289-L292 PolarHBondContact O-N 3.34Å; L292-S295 WeakPolarHBondContact CA-OG 3.4Å; L292-S295 PolarHBondContact O-OG 2.93Å; L292-S295 VanDerWaalsContact O-OG 3.05Å; L292-K296 VanDerWaalsContact O-CB 3.31Å; L292-K296 WeakPolarHBondContact O-CB 3.41Å; L292-K296 WeakPolarHBondContact O-CG 3.26Å; L292-K296 PolarHBondContact O-N 3.02Å |
| 293 | R | 93.5 | Very high | 91.7 | Very high | 131 Ų | 131 | 124.6 Ų | 124.6 | 49% | 0.494 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.4 | -44.6 | 176.6 | -73.2 | -178.5 | -177.5 | 127.8 | -6.9 | 111.3 | E289 R290 K296 M297 | E289-R293 WeakPolarHBondContact O-CG 3.39Å; E289-R293 PolarHBondContact O-N 3.05Å; E289-R293 IonicContact OE1-CZ 2.76Å; E289-R293 IonicContact OE1-NE 2.72Å; E289-R293 IonicContact OE1-NH1 3.99Å; E289-R293 IonicContact OE1-NH2 3.09Å; E289-R293 PolarHBondContact OE1-NH2 3.05Å; E289-R293 IonicContact OE2-CZ 3.78Å; E289-R293 IonicContact OE2-NH1 2.62Å; E289-R293 PolarHBondContact OE2-NH1 2.85Å; E289-R293 IonicContact OE2-NH2 3.57Å; E289-R293 PolarHBondContact OE2-NH2 2.88Å; E289-R293 VanDerWaalsContact OE2-NH2 3.09Å; R290-R293 PolarHBondContact O-N 3.5Å; R293-K296 PolarHBondContact O-N 2.92Å; R293-M297 PolarHBondContact O-N 2.62Å |
| 294 | L | 93.4 | Very high | 91.3 | Very high | 100 Ų | 100 | 124.8 Ų | 124.8 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 178.5 | -73.1 | 171 | 0 | 0 | 0 | 112.2 | R290 D291 K296 M297 | R290-L294 HydrophobicContact CG-CD1 4.03Å; R290-L294 WeakPolarHBondContact O-CB 3.19Å; R290-L294 VanDerWaalsContact O-CG 3.32Å; R290-L294 WeakPolarHBondContact O-CG 3.31Å; R290-L294 PolarHBondContact O-N 2.8Å; D291-L294 PolarHBondContact O-N 2.85Å; L294-K296 VanDerWaalsContact C-N 3.33Å; L294-K296 PolarHBondContact O-N 3.28Å; L294-M297 CarbonylContact O-C 3.52Å; L294-M297 PolarHBondContact O-N 3.45Å |
| 295 | S | 93.2 | Very high | 91 | Very high | 85 Ų | 85 | 121.3 Ų | 121.3 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.8 | -30.4 | 176.3 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | D291 L292 | D291-S295 VanDerWaalsContact O-CB 3.26Å; D291-S295 WeakPolarHBondContact O-CB 3.48Å; D291-S295 PolarHBondContact O-N 3.09Å; D291-S295 PolarHBondContact O-OG 2.8Å; L292-S295 WeakPolarHBondContact CA-OG 3.4Å; L292-S295 PolarHBondContact O-OG 2.93Å; L292-S295 VanDerWaalsContact O-OG 3.05Å |
| 296 | K | 90.2 | Very high | 90.6 | Very high | 163 Ų | 163 | 121.4 Ų | 121.4 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.5 | -25.5 | 172.5 | -73.5 | 177.3 | -178.5 | -177.9 | 0 | 113.1 | L292 R293 L294 K298 | L292-K296 VanDerWaalsContact O-CB 3.31Å; L292-K296 WeakPolarHBondContact O-CB 3.41Å; L292-K296 WeakPolarHBondContact O-CG 3.26Å; L292-K296 PolarHBondContact O-N 3.02Å; R293-K296 PolarHBondContact O-N 2.92Å; L294-K296 VanDerWaalsContact C-N 3.33Å; L294-K296 PolarHBondContact O-N 3.28Å; K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 PolarHBondContact O-N 3.5Å |
| 297 | M | 85.3 | Confident | 90.1 | Very high | 149 Ų | 149 | 121.8 Ų | 121.8 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | trans | -77 | 77.8 | 167.3 | -79.7 | 176.4 | 65.1 | 0 | 0 | 109.5 | R293 L294 | R293-M297 PolarHBondContact O-N 2.62Å; L294-M297 CarbonylContact O-C 3.52Å; L294-M297 PolarHBondContact O-N 3.45Å | ||
| 298 | K | 74.9 | Confident | 89.6 | Confident | 187 Ų | 187 | 122.9 Ų | 122.9 | 81% | 0.813 | 61% | 0.612 | S | S | * | * | trans | -73.6 | 141.5 | 165.2 | -151.3 | 165.3 | -175.2 | 177.8 | 0 | 108.8 | K296 | K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 PolarHBondContact O-N 3.5Å | ||
| 299 | P | 66.9 | Low | 89 | Confident | 193 Ų | 193 | 125.5 Ų | 125.5 | 100% | 1.253 | 62% | 0.624 | S | S | * | * | trans | -58.6 | 0 | -178.4 | 24.4 | -37.1 | 0 | 0 | 0 | 114.1 |
Retrieved 299 of 299 residues in 39.4 ms
(Link to these results)