| 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 | 39 | Very low | 50.5 | Low | 249 Ų | 249 | 147.1 Ų | 147.1 | 100% | 1.227 | 85% | 0.849 | S | S | * | * | 0 | 127.8 | 0 | -67.6 | 159.6 | 71.7 | 0 | 0 | 107.2 | |||||
| 2 | S | 44.7 | Very low | 51.1 | Low | 126 Ų | 126 | 144.3 Ų | 144.3 | 88% | 0.881 | 84% | 0.84 | S | S | * | * | trans | -110.4 | 112.6 | -173.3 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | G4 | S2-G4 PolarHBondContact O-N 3.4Š| ||
| 3 | S | 47.8 | Very low | 51.3 | Low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | trans | -91.9 | 96.6 | 179 | 51.6 | 0 | 0 | 0 | 0 | 110.6 | G5 | S3-G5 PolarHBondContact O-N 3.49Š| ||
| 4 | G | 43.8 | Very low | 51.7 | Low | 76 Ų | 76 | 143.4 Ų | 143.4 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -71.5 | 117 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2 | S2-G4 PolarHBondContact O-N 3.4Š| ||
| 5 | G | 47.2 | Very low | 52.1 | Low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -76.1 | 119.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S3 R7 | S3-G5 PolarHBondContact O-N 3.49Å; G5-R7 PolarHBondContact O-N 3.11Å; G5-R7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | S | 57.4 | Low | 52.5 | Low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 98.6 | 177.1 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | F8 | S6-F8 PolarHBondContact O-N 2.74Š| ||
| 7 | R | 61.4 | Low | 52.6 | Low | 225 Ų | 225 | 143.4 Ų | 143.4 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -82.6 | 93.6 | -179.1 | -175 | 173.5 | 177.3 | 168.5 | -1.1 | 110.5 | G5 K9 | G5-R7 PolarHBondContact O-N 3.11Å; G5-R7 VanDerWaalsContact O-N 3.11Å; R7-K9 PolarHBondContact O-N 3.08Å; R7-K9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | F | 51.1 | Low | 53 | Low | 194 Ų | 194 | 141.9 Ų | 141.9 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -52.7 | 117.8 | 169.1 | -88.6 | -97.9 | 0 | 0 | 0 | 110.3 | S6 | S6-F8 PolarHBondContact O-N 2.74Š| ||
| 9 | K | 58 | Low | 53.2 | Low | 185 Ų | 185 | 142.7 Ų | 142.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -89 | 112.4 | 170.4 | -69.2 | -172.3 | 179.3 | -178 | 0 | 108.3 | R7 V11 | R7-K9 PolarHBondContact O-N 3.08Å; R7-K9 VanDerWaalsContact O-N 3.14Å; K9-V11 PolarHBondContact O-N 3.32Å | ||
| 10 | V | 54.8 | Low | 53.4 | Low | 142 Ų | 142 | 143.8 Ų | 143.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 117 | 168.5 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | ||
| 11 | V | 50.5 | Low | 53.5 | Low | 116 Ų | 116 | 140.1 Ų | 140.1 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 132.4 | 173.7 | -177 | 0 | 0 | 0 | 0 | 107.9 | K9 V13 | K9-V11 PolarHBondContact O-N 3.32Å; V11-V13 PolarHBondContact O-N 3.26Å |
| 12 | P | 57.8 | Low | 54.4 | Low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.4 | 174.3 | -20 | 32.1 | 0 | 0 | 0 | 110.6 | E14 | P12-E14 PolarHBondContact O-N 3.08Å; P12-E14 VanDerWaalsContact O-N 3.12Å |
| 13 | V | 53.3 | Low | 54.9 | Low | 134 Ų | 134 | 133.2 Ų | 133.2 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 109.2 | 167.7 | 172.9 | 0 | 0 | 0 | 0 | 107.4 | V11 T15 | V11-V13 PolarHBondContact O-N 3.26Å; V13-T15 PolarHBondContact O-N 3.13Å; V13-T15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | E | 57.5 | Low | 55.4 | Low | 143 Ų | 143 | 131.3 Ų | 131.3 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | trans | -69 | 106.6 | 178.7 | -169.8 | 178.6 | -118.5 | 0 | 0 | 109.2 | P12 R16 | P12-E14 PolarHBondContact O-N 3.08Å; P12-E14 VanDerWaalsContact O-N 3.12Å; E14-R16 VanDerWaalsContact C-N 3.29Å; E14-R16 PolarHBondContact O-N 3.16Å; E14-R16 IonicContact OE2-NE 2.65Å; E14-R16 PolarHBondContact OE2-NE 3.31Å; E14-R16 IonicContact OE2-NH2 2.73Å | ||
| 15 | T | 57.8 | Low | 56 | Low | 137 Ų | 137 | 136.2 Ų | 136.2 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -68 | 85.8 | 177.9 | -40.7 | 0 | 0 | 0 | 0 | 109.7 | V13 D17 | V13-T15 PolarHBondContact O-N 3.13Å; V13-T15 VanDerWaalsContact O-N 3.14Å; T15-D17 PolarHBondContact O-N 3.14Å | ||
| 16 | R | 57.2 | Low | 56.3 | Low | 193 Ų | 193 | 140.3 Ų | 140.3 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | trans | -67.3 | 100.4 | -179.7 | -74.5 | -173.9 | 169.3 | -166.6 | -4.6 | 110.8 | E14 | E14-R16 VanDerWaalsContact C-N 3.29Å; E14-R16 PolarHBondContact O-N 3.16Å; E14-R16 IonicContact OE2-NE 2.65Å; E14-R16 PolarHBondContact OE2-NE 3.31Å; E14-R16 IonicContact OE2-NH2 2.73Å | ||
| 17 | D | 55.6 | Low | 56.1 | Low | 99 Ų | 99 | 140.1 Ų | 140.1 | 53% | 0.529 | 74% | 0.738 | S | S | . | * | trans | -56.9 | 120.7 | 165.5 | -174.5 | -22.5 | 0 | 0 | 0 | 108.4 | T15 Y19 F20 | T15-D17 PolarHBondContact O-N 3.14Å; D17-Y19 PolarHBondContact O-N 3.22Å; D17-Y19 PolarHBondContact OD1-N 2.96Å; D17-F20 HydrophobicContact CB-CB 4.44Å; D17-F20 PolarHBondContact O-N 3.49Å | ||
| 18 | P | 58.3 | Low | 55.6 | Low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -5.4 | -173.2 | 24.5 | -34.6 | 0 | 0 | 0 | 114.6 | ||
| 19 | Y | 56.9 | Low | 55.8 | Low | 157 Ų | 157 | 131.1 Ų | 131.1 | 62% | 0.616 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -1.8 | 176.1 | -65.7 | -81.8 | 0 | 0 | 0 | 114.7 | D17 | D17-Y19 PolarHBondContact O-N 3.22Å; D17-Y19 PolarHBondContact OD1-N 2.96Å |
| 20 | F | 58.7 | Low | 55.8 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | trans | -99.6 | 114.4 | 180 | -167.3 | -98.6 | 0 | 0 | 0 | 112.4 | D17 | D17-F20 HydrophobicContact CB-CB 4.44Å; D17-F20 PolarHBondContact O-N 3.49Å | ||
| 21 | S | 55.2 | Low | 55.3 | Low | 68 Ų | 68 | 129.7 Ų | 129.7 | 48% | 0.476 | 72% | 0.722 | S | S | . | * | trans | -102.5 | 123.3 | 175.2 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | N23 | S21-N23 PolarHBondContact O-N 3.23Š| ||
| 22 | P | 57 | Low | 55.3 | Low | 98 Ų | 98 | 130.4 Ų | 130.4 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -64.9 | -25.7 | -174.6 | -21.9 | 32.6 | 0 | 0 | 0 | 114.2 | ||
| 23 | N | 56.5 | Low | 54.8 | Low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -107.7 | 95 | -176.5 | -64.2 | -12.8 | 0 | 0 | 0 | 108.3 | S21 K25 | S21-N23 PolarHBondContact O-N 3.23Å; N23-K25 VanDerWaalsContact C-N 3.27Å; N23-K25 PolarHBondContact O-N 3.49Å |
| 24 | G | 57.6 | Low | 54.4 | Low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 69.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 25 | K | 56.8 | Low | 54 | Low | 179 Ų | 179 | 127.5 Ų | 127.5 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -22.9 | 176.7 | -70 | -70.6 | -178.9 | 174.9 | 0 | 114.1 | N23 | N23-K25 VanDerWaalsContact C-N 3.27Å; N23-K25 PolarHBondContact O-N 3.49Å |
| 26 | H | 53.3 | Low | 53.5 | Low | 162 Ų | 162 | 130.3 Ų | 130.3 | 75% | 0.75 | 73% | 0.729 | S | S | * | * | trans | -141.5 | 103.5 | 173.5 | -61.7 | -69.8 | 0 | 0 | 0 | 110.9 | ||||
| 27 | A | 53.2 | Low | 53.4 | Low | 104 Ų | 104 | 130.4 Ų | 130.4 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | trans | -88.6 | 115.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A29 | A27-A29 PolarHBondContact O-N 3.03Š| ||
| 28 | I | 51.6 | Low | 53.3 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | -72.9 | 115.9 | 171.7 | -60.7 | 173.4 | 0 | 0 | 0 | 107.2 | K30 | I28-K30 PolarHBondContact O-N 3.08Š| ||
| 29 | A | 55.1 | Low | 52.7 | Low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 133.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A27 | A27-A29 PolarHBondContact O-N 3.03Š| ||
| 30 | K | 56.6 | Low | 52.4 | Low | 171 Ų | 171 | 137.9 Ų | 137.9 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -61.3 | 136.1 | 172 | -68.8 | -178.3 | 176.7 | -178.5 | 0 | 109.3 | I28 T32 | I28-K30 PolarHBondContact O-N 3.08Å; K30-T32 PolarHBondContact O-N 3.37Å | ||
| 31 | P | 45.5 | Very low | 52.1 | Low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -65.2 | 108.3 | 173.7 | 26.6 | -32.8 | 0 | 0 | 0 | 109.2 | ||||
| 32 | T | 50.2 | Low | 51.5 | Low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -79.9 | 123.2 | 174.1 | -156.7 | 0 | 0 | 0 | 0 | 109 | K30 A34 | K30-T32 PolarHBondContact O-N 3.37Å; T32-A34 PolarHBondContact O-N 3.04Å | ||
| 33 | A | 47.2 | Very low | 51.1 | Low | 87 Ų | 87 | 146.2 Ų | 146.2 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -75.3 | 95.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I35 | A33-I35 PolarHBondContact O-N 2.98Š| ||
| 34 | A | 44.8 | Very low | 50.7 | Low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -71.1 | 91.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T32 K36 | T32-A34 PolarHBondContact O-N 3.04Å; A34-K36 PolarHBondContact O-N 3.34Å | ||
| 35 | I | 48.1 | Very low | 50.2 | Low | 154 Ų | 154 | 147.1 Ų | 147.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -69.3 | 101.4 | 172 | -58.7 | 174.9 | 0 | 0 | 0 | 108.3 | A33 K37 | A33-I35 PolarHBondContact O-N 2.98Å; I35-K37 PolarHBondContact O-N 3.1Å | ||
| 36 | K | 47.5 | Very low | 49.9 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -65.6 | 125.4 | 169.3 | -75.5 | -175.5 | 174.1 | -175.9 | 0 | 109.4 | A34 E38 | A34-K36 PolarHBondContact O-N 3.34Å; K36-E38 PolarHBondContact O-N 3.3Å | ||
| 37 | K | 55.3 | Low | 49.7 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 78.1 | 173.3 | -68.7 | -176.9 | 177.5 | -178.7 | 0 | 110.7 | I35 | I35-K37 PolarHBondContact O-N 3.1Š| ||
| 38 | E | 53.7 | Low | 49.5 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -135.9 | 163.2 | 159.1 | -70.7 | -165.8 | 144.1 | 0 | 0 | 109.2 | K36 | K36-E38 PolarHBondContact O-N 3.3Š| ||
| 39 | E | 45.3 | Very low | 49.5 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 72.5 | 51.8 | -171.8 | -147.5 | -179.9 | 151.9 | 0 | 0 | 116.2 | ||||
| 40 | I | 51.3 | Low | 49.1 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -106.3 | 53.8 | 157.1 | -45.1 | 179.1 | 0 | 0 | 0 | 110 | ||||
| 41 | V | 51.7 | Low | 48.6 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | trans | -144.9 | 138.4 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 42 | N | 44 | Very low | 48.5 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 89 | 40.3 | 175.7 | -71.4 | 2.4 | 0 | 0 | 0 | 121.3 | ||
| 43 | R | 46.9 | Very low | 48.5 | Very low | 243 Ų | 243 | 152.2 Ų | 152.2 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -130.9 | 7.3 | 148.7 | -71.1 | -164.3 | -179.4 | -176.1 | 2.7 | 116.5 | S45 | R43-S45 VanDerWaalsContact C-N 3.29Å; R43-S45 PolarHBondContact O-N 2.79Å; R43-S45 VanDerWaalsContact O-N 3.12Å | ||
| 44 | S | 48.9 | Very low | 48.1 | Very low | 127 Ų | 127 | 153 Ų | 153 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -87 | 54 | 177.5 | -172 | 0 | 0 | 0 | 0 | 113.1 | ||
| 45 | S | 48.3 | Very low | 47.7 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -162.9 | 45.6 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | R43 | R43-S45 VanDerWaalsContact C-N 3.29Å; R43-S45 PolarHBondContact O-N 2.79Å; R43-S45 VanDerWaalsContact O-N 3.12Å | ||
| 46 | R | 49.8 | Very low | 47.5 | Very low | 245 Ų | 245 | 152 Ų | 152 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -113.4 | 99.9 | 159 | -71.9 | -166.4 | 177.5 | -162.8 | -1.6 | 109.3 | ||||
| 47 | S | 48.1 | Very low | 47.3 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | trans | -58.4 | 140 | -177.8 | -177.5 | 0 | 0 | 0 | 0 | 112 | S49 | S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 PolarHBondContact OG-OG 3.31Å | ||
| 48 | L | 49.4 | Very low | 46.7 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -78.9 | 86.3 | 166.9 | -74.9 | 162.6 | 0 | 0 | 0 | 108.7 | ||
| 49 | S | 51.9 | Low | 45.9 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 57% | 0.573 | 80% | 0.801 | S | S | * | * | trans | -150.7 | 12.3 | -176.9 | 51.9 | 0 | 0 | 0 | 0 | 117.7 | S47 | S47-S49 PolarHBondContact O-N 2.9Å; S47-S49 PolarHBondContact OG-OG 3.31Å | ||
| 50 | D | 45.9 | Very low | 45.5 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -119.7 | 68.3 | 176.8 | -68.9 | -57 | 0 | 0 | 0 | 112.5 | ||||
| 51 | I | 45.8 | Very low | 44.9 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -117.9 | 101.6 | 159.7 | -59.1 | 178.5 | 0 | 0 | 0 | 107.1 | ||||
| 52 | H | 44 | Very low | 44.7 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -121.5 | 119.4 | 173.3 | -156.5 | -76.2 | 0 | 0 | 0 | 109.9 | ||||
| 53 | P | 50.9 | Low | 44.3 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -80 | 162.7 | 168.3 | 33.9 | -33.1 | 0 | 0 | 0 | 110.8 | ||||
| 54 | S | 37.5 | Very low | 43.8 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 72.4 | 131.2 | -178.2 | -155.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 55 | S | 37.8 | Very low | 43.1 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | cis | -158.9 | 132.9 | 41.7 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 56 | S | 43.9 | Very low | 42.5 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 137.4 | 165.6 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 57 | P | 44 | Very low | 42.3 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 131.4 | 174.4 | 31.1 | -32.3 | 0 | 0 | 0 | 111.9 | ||
| 58 | S | 42.4 | Very low | 41.9 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 139.5 | 176.3 | -74.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 59 | V | 36 | Very low | 41.4 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -145.6 | 108.3 | 160.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 60 | V | 38 | Very low | 41.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 47.9 | 132.4 | 136.5 | 176.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 61 | Q | 37.9 | Very low | 40.5 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | -175.7 | -163.2 | -2.1 | -114.1 | -172.4 | 0.2 | 0 | 0 | 108 | ||||
| 62 | P | 47 | Very low | 40.5 | Very low | 89 Ų | 89 | 133 Ų | 133 | 58% | 0.578 | 78% | 0.783 | S | S | * | * | cis | -131.9 | 166.9 | -44.1 | 36.4 | -20 | 0 | 0 | 0 | 115.1 | ||||
| 63 | T | 36.6 | Very low | 40.1 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 62.3 | 147.4 | 156.8 | 52.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 64 | S | 36.5 | Very low | 39.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | cis | -159.5 | 164.1 | 6.2 | 44 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 65 | G | 34.3 | Very low | 39.9 | Very low | 78 Ų | 78 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 107.8 | 126.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 66 | I | 35.2 | Very low | 39.9 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -129.7 | 145 | 169.4 | -73 | 178.3 | 0 | 0 | 0 | 104.3 | ||||
| 67 | P | 44.3 | Very low | 39.8 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -141 | 163.8 | 41.9 | 24 | 2 | 0 | 0 | 0 | 120 | ||||
| 68 | V | 41.2 | Very low | 39.9 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 12.7 | 120.5 | 137.9 | -168.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 69 | Q | 38.2 | Very low | 40.1 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -142.4 | 112.5 | 149.7 | -176.6 | 75.8 | 61.6 | 0 | 0 | 109.9 | ||||
| 70 | Q | 45 | Very low | 40.4 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -85.7 | 133.3 | 173.6 | -147.6 | 172.6 | 11.5 | 0 | 0 | 109.1 | ||||
| 71 | R | 35 | Very low | 41 | Very low | 213 Ų | 213 | 134.7 Ų | 134.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -150.8 | 125 | 168.3 | -171.8 | -175.4 | -67.1 | -162.7 | 1.3 | 110.7 | ||||
| 72 | P | 44.1 | Very low | 41.6 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -91.5 | 131 | 170.3 | 34.1 | -29.5 | 0 | 0 | 0 | 110.8 | ||||
| 73 | A | 36.3 | Very low | 41.6 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -160.6 | 122.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 74 | S | 37.5 | Very low | 42.1 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 43.5 | 115.8 | 146.5 | 56.2 | 0 | 0 | 0 | 0 | 120.3 | L76 | S74-L76 PolarHBondContact O-N 3.13Š| ||
| 75 | H | 47 | Very low | 42.3 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -61.2 | 122.2 | 157.7 | -61.7 | 3.5 | 0 | 0 | 0 | 110.5 | ||||
| 76 | L | 38 | Very low | 43.2 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -109.9 | 104.8 | 158.7 | -79 | 168.2 | 0 | 0 | 0 | 107.6 | S74 A78 | S74-L76 PolarHBondContact O-N 3.13Å; L76-A78 PolarHBondContact O-N 3.42Å; L76-A78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | I | 41.4 | Very low | 43.7 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -73.7 | 102.7 | 175.3 | -64.5 | 166.9 | 0 | 0 | 0 | 107.2 | ||||
| 78 | A | 45.8 | Very low | 43.4 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 133.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L76 N80 | L76-A78 PolarHBondContact O-N 3.42Å; L76-A78 VanDerWaalsContact O-N 3.13Å; A78-N80 PolarHBondContact O-N 3.12Å |
| 79 | P | 46.8 | Very low | 43.8 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65 | 127.1 | 175.4 | 26.3 | -32.8 | 0 | 0 | 0 | 110 | ||
| 80 | N | 43.4 | Very low | 44.4 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 121.9 | -178.8 | -174.5 | 28.6 | 0 | 0 | 0 | 111.4 | A78 K82 | A78-N80 PolarHBondContact O-N 3.12Å; N80-K82 PolarHBondContact O-N 3.14Å |
| 81 | P | 50 | Low | 44.3 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.8 | 176.2 | 26.2 | -33.1 | 0 | 0 | 0 | 110 | ||
| 82 | K | 50.9 | Low | 44.8 | Very low | 188 Ų | 188 | 133.4 Ų | 133.4 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 141.5 | 178.7 | -63.8 | 179 | -179.3 | 178.7 | 0 | 110 | N80 V84 | N80-K82 PolarHBondContact O-N 3.14Å; K82-V84 PolarHBondContact O-N 3.25Å |
| 83 | P | 46.3 | Very low | 44.9 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | -63.4 | 114 | 179 | 25.8 | -33.6 | 0 | 0 | 0 | 110.3 | Y85 | P83-Y85 PolarHBondContact O-N 3.45Š| ||
| 84 | V | 46.1 | Very low | 45.4 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -80.9 | 109 | 170.5 | 179 | 0 | 0 | 0 | 0 | 107.5 | K82 T86 | K82-V84 PolarHBondContact O-N 3.25Å; V84-T86 HydrophobicContact CG1-CG2 4.23Å; V84-T86 PolarHBondContact O-N 2.85Å | ||
| 85 | Y | 41 | Very low | 45.7 | Very low | 209 Ų | 209 | 137 Ų | 137 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -71 | 95.8 | 170.9 | -75 | -87.8 | 0 | 0 | 0 | 109.6 | P83 | P83-Y85 PolarHBondContact O-N 3.45Š| ||
| 86 | T | 54.5 | Low | 45.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 117.1 | 167 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | V84 | V84-T86 HydrophobicContact CG1-CG2 4.23Å; V84-T86 PolarHBondContact O-N 2.85Å |
| 87 | V | 44.4 | Very low | 45.4 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 128.5 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | K89 | V87-K89 PolarHBondContact O-N 2.86Å; V87-K89 VanDerWaalsContact O-N 3.13Å |
| 88 | P | 39.3 | Very low | 45.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 119 | 175.2 | -25.9 | 35.3 | 0 | 0 | 0 | 111 | V90 | P88-V90 PolarHBondContact O-N 3.32Š|
| 89 | K | 49.8 | Very low | 45.4 | Very low | 208 Ų | 208 | 131.3 Ų | 131.3 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -74.6 | 91.2 | 175.7 | -174.7 | 169.7 | -179.4 | 174.2 | 0 | 109.3 | V87 A91 | V87-K89 PolarHBondContact O-N 2.86Å; V87-K89 VanDerWaalsContact O-N 3.13Å; K89-A91 PolarHBondContact O-N 3.43Å | ||
| 90 | V | 49.7 | Very low | 45.5 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | -60.9 | 128.4 | 176 | -165.5 | 0 | 0 | 0 | 0 | 109.3 | P88 | P88-V90 PolarHBondContact O-N 3.32Š| ||
| 91 | A | 43.1 | Very low | 45.8 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 58% | 0.579 | 74% | 0.744 | S | S | * | * | trans | -68.5 | 141.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | K89 T93 | K89-A91 PolarHBondContact O-N 3.43Å; A91-T93 PolarHBondContact O-N 3.36Å | ||
| 92 | P | 45.2 | Very low | 45.5 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | -76 | 87.3 | -178.1 | 30.9 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 93 | T | 46.9 | Very low | 44.9 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -84 | 124.2 | 173.2 | -51 | 0 | 0 | 0 | 0 | 110.5 | A91 | A91-T93 PolarHBondContact O-N 3.36Š| ||
| 94 | A | 45.8 | Very low | 44.5 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | trans | 53.7 | 96.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | V96 | A94-V96 PolarHBondContact O-N 3.42Š| ||
| 95 | Q | 43.4 | Very low | 44.8 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | -64.5 | 98 | 158.4 | -71.4 | -172.3 | -30.5 | 0 | 0 | 110.4 | K97 | Q95-K97 VanDerWaalsContact C-N 3.32Å; Q95-K97 PolarHBondContact O-N 3.15Å | ||
| 96 | V | 35.7 | Very low | 45.2 | Very low | 130 Ų | 130 | 128 Ų | 128 | 79% | 0.788 | 75% | 0.748 | S | S | * | * | trans | -72.8 | 93.3 | 160.3 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | A94 A98 | A94-V96 PolarHBondContact O-N 3.42Å; V96-A98 VanDerWaalsContact C-N 3.29Å; V96-A98 PolarHBondContact O-N 3.12Å | ||
| 97 | K | 44.2 | Very low | 44.9 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -65.9 | 91.8 | 165.8 | -81.1 | -173.1 | 176.1 | -179.5 | 0 | 108.8 | Q95 S99 | Q95-K97 VanDerWaalsContact C-N 3.32Å; Q95-K97 PolarHBondContact O-N 3.15Å; K97-S99 PolarHBondContact O-N 3.02Å | ||
| 98 | A | 39.8 | Very low | 45.2 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | -69 | 78.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V96 T100 | V96-A98 VanDerWaalsContact C-N 3.29Å; V96-A98 PolarHBondContact O-N 3.12Å; A98-T100 PolarHBondContact O-N 3.23Å | ||
| 99 | S | 46.2 | Very low | 45.4 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -71.3 | 80.5 | 173.2 | -66.8 | 0 | 0 | 0 | 0 | 109.7 | K97 I101 | K97-S99 PolarHBondContact O-N 3.02Å; S99-I101 VanDerWaalsContact C-N 3.33Å; S99-I101 PolarHBondContact O-N 2.89Å | ||
| 100 | T | 50 | Low | 45.1 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -70.9 | 91.1 | 170.8 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | A98 I102 | A98-T100 PolarHBondContact O-N 3.23Å; T100-I102 HydrophobicContact CG2-CG1 3.97Å; T100-I102 PolarHBondContact O-N 2.96Å; T100-I102 VanDerWaalsContact O-N 3.12Å | ||
| 101 | I | 48.5 | Very low | 44.8 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 68% | 0.677 | 75% | 0.75 | S | S | * | * | trans | -74.4 | 99.3 | 170.7 | -66.6 | 164.1 | 0 | 0 | 0 | 107.8 | S99 Q103 | S99-I101 VanDerWaalsContact C-N 3.33Å; S99-I101 PolarHBondContact O-N 2.89Å; I101-Q103 HydrophobicContact CG2-CG 3.95Å; I101-Q103 PolarHBondContact O-N 3.35Å | ||
| 102 | I | 44.6 | Very low | 44.7 | Very low | 147 Ų | 147 | 131 Ų | 131 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -80.7 | 97.7 | 168.4 | -55.6 | -179.8 | 0 | 0 | 0 | 107.7 | T100 | T100-I102 HydrophobicContact CG2-CG1 3.97Å; T100-I102 PolarHBondContact O-N 2.96Å; T100-I102 VanDerWaalsContact O-N 3.12Å | ||
| 103 | Q | 39.4 | Very low | 44.5 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 72% | 0.715 | 74% | 0.739 | S | S | * | * | trans | -88 | 126.5 | 164.5 | -84.6 | 174.9 | 33.6 | 0 | 0 | 109.7 | I101 T105 | I101-Q103 HydrophobicContact CG2-CG 3.95Å; I101-Q103 PolarHBondContact O-N 3.35Å; Q103-T105 PolarHBondContact O-N 3.48Å | ||
| 104 | P | 37.7 | Very low | 44.3 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -77.9 | 104.6 | 177.2 | 30.2 | -32.5 | 0 | 0 | 0 | 110.6 | ||||
| 105 | T | 51.6 | Low | 43.9 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -87.2 | 111.7 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | Q103 N107 | Q103-T105 PolarHBondContact O-N 3.48Å; T105-N107 VanDerWaalsContact C-N 3.27Å; T105-N107 PolarHBondContact O-N 2.82Å | ||
| 106 | V | 49.6 | Very low | 43.7 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 18.7 | -67.5 | 151.4 | -60.5 | 0 | 0 | 0 | 0 | 118.9 | ||
| 107 | N | 47.5 | Very low | 43.9 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 36.4 | -149.1 | -66.4 | 2.9 | 0 | 0 | 0 | 114.9 | T105 Q109 | T105-N107 VanDerWaalsContact C-N 3.27Å; T105-N107 PolarHBondContact O-N 2.82Å; N107-Q109 VanDerWaalsContact C-N 3.25Å; N107-Q109 PolarHBondContact O-N 3.14Å |
| 108 | G | 50.9 | Low | 43.5 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | 66.2 | -5.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | V110 | G108-V110 PolarHBondContact O-N 2.97Š| ||
| 109 | Q | 44 | Very low | 43.5 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | trans | -88.2 | 104.8 | 175.3 | -80.6 | -169.4 | -16 | 0 | 0 | 112 | N107 K111 | N107-Q109 VanDerWaalsContact C-N 3.25Å; N107-Q109 PolarHBondContact O-N 3.14Å; Q109-K111 PolarHBondContact O-N 2.86Å | ||
| 110 | V | 43.4 | Very low | 42.9 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -89.1 | 92.7 | 161.7 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | G108 V112 | G108-V110 PolarHBondContact O-N 2.97Å; V110-V112 HydrophobicContact CG1-CG2 3.85Å; V110-V112 PolarHBondContact O-N 3.18Å | ||
| 111 | K | 43.3 | Very low | 42.4 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | -78.6 | 93.8 | 169.5 | -171.7 | -165.4 | -178.2 | -142.2 | 0 | 109 | Q109 S113 | Q109-K111 PolarHBondContact O-N 2.86Å; K111-S113 WeakPolarHBondContact CE-OG 3.16Å; K111-S113 PolarHBondContact NZ-OG 2.8Å; K111-S113 PolarHBondContact O-N 3.18Å | ||
| 112 | V | 41.6 | Very low | 41.8 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -74.7 | 91.4 | 169 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | V110 | V110-V112 HydrophobicContact CG1-CG2 3.85Å; V110-V112 PolarHBondContact O-N 3.18Å | ||
| 113 | S | 40.4 | Very low | 41.5 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 47% | 0.469 | 77% | 0.773 | S | S | . | * | trans | -89 | 96.8 | 167.8 | -84.7 | 0 | 0 | 0 | 0 | 109.9 | K111 E115 | K111-S113 WeakPolarHBondContact CE-OG 3.16Å; K111-S113 PolarHBondContact NZ-OG 2.8Å; K111-S113 PolarHBondContact O-N 3.18Å; S113-E115 VanDerWaalsContact C-N 3.33Å; S113-E115 PolarHBondContact O-N 3.41Å | ||
| 114 | S | 42.6 | Very low | 41.3 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -80.3 | 83.2 | 158.2 | 56.9 | 0 | 0 | 0 | 0 | 109 | T116 | S114-T116 PolarHBondContact O-N 3.07Å; S114-T116 VanDerWaalsContact O-N 3.14Å | ||
| 115 | E | 37.3 | Very low | 41.5 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -70.6 | 105 | 169.9 | -76 | -170.7 | 157.4 | 0 | 0 | 109.9 | S113 | S113-E115 VanDerWaalsContact C-N 3.33Å; S113-E115 PolarHBondContact O-N 3.41Å | ||
| 116 | T | 39.5 | Very low | 40.9 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -92.8 | 109.7 | 145.7 | -62.2 | 0 | 0 | 0 | 0 | 106.5 | S114 I118 | S114-T116 PolarHBondContact O-N 3.07Å; S114-T116 VanDerWaalsContact O-N 3.14Å; T116-I118 HydrophobicContact CG2-CG1 4.2Å; T116-I118 PolarHBondContact O-N 2.8Å | ||
| 117 | Q | 40.2 | Very low | 40.6 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 114.2 | 178.5 | -67 | -168 | 2.8 | 0 | 0 | 110.1 | ||||
| 118 | I | 35.4 | Very low | 40.2 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -129.3 | 115.5 | 162.4 | -43.8 | -179.9 | 0 | 0 | 0 | 106.4 | T116 T120 | T116-I118 HydrophobicContact CG2-CG1 4.2Å; T116-I118 PolarHBondContact O-N 2.8Å; I118-T120 PolarHBondContact O-N 3.47Å | ||
| 119 | S | 38.9 | Very low | 39.8 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 109.5 | -173.1 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 120 | T | 33.7 | Very low | 39.8 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 111.8 | 157.2 | 36.3 | 0 | 0 | 0 | 0 | 109 | I118 | I118-T120 PolarHBondContact O-N 3.47Š| ||
| 121 | G | 40.8 | Very low | 39.8 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -83.7 | 122.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 122 | V | 34.3 | Very low | 40.1 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -137.1 | 127.6 | 158.4 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 123 | M | 38.7 | Very low | 39.9 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -87 | 134 | 178.1 | -59.3 | -153.9 | -59.4 | 0 | 0 | 110.9 | ||||
| 124 | V | 36.2 | Very low | 40.4 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -135 | 120.4 | 153.3 | -173.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 125 | A | 42.3 | Very low | 40.3 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -93 | 137.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 126 | E | 38.4 | Very low | 41.2 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -139 | 127.4 | 164.3 | -164.4 | 144.8 | -154.2 | 0 | 0 | 110.6 | ||||
| 127 | A | 42.8 | Very low | 41.4 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -83.4 | 147.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 128 | N | 38.5 | Very low | 42.2 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -133.5 | 97.9 | 168.6 | -144.5 | -26.9 | 0 | 0 | 0 | 111.1 | ||||
| 129 | Q | 44.4 | Very low | 42.8 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -112.2 | 142.7 | 172.4 | -115.4 | -173.9 | 65.4 | 0 | 0 | 108.9 | ||||
| 130 | S | 43.2 | Very low | 43.7 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | trans | 73.4 | 120.9 | 170.1 | -142.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 131 | R | 44 | Very low | 44.7 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | cis | -154.6 | 138.1 | 49.6 | -78.3 | 175.4 | -179.5 | 177.3 | 1.1 | 113.1 | ||||
| 132 | R | 48 | Very low | 45.4 | Very low | 239 Ų | 239 | 137.8 Ų | 137.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 112.3 | 159.7 | 174.9 | -170.6 | -174.9 | -168.4 | 4.9 | 108.9 | ||||
| 133 | T | 38.3 | Very low | 46.5 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -125.6 | 135.3 | 155.6 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 134 | K | 50.8 | Low | 47.5 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -106.8 | 109.7 | -173.2 | -169.3 | -172.7 | -171.4 | -170.5 | 0 | 106.9 | ||||
| 135 | S | 41.4 | Very low | 48.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -133.2 | 109.4 | 168.7 | 46.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 136 | V | 54.8 | Low | 49.8 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | -90.3 | 106.6 | 167.9 | 173.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 137 | A | 45.1 | Very low | 51.9 | Low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -146.2 | 110.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | S139 | A137-S139 PolarHBondContact O-N 2.96Š| ||
| 138 | A | 55.1 | Low | 54.2 | Low | 111 Ų | 111 | 126 Ų | 126 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | trans | -70.2 | 114.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | S | 49.1 | Very low | 56.9 | Low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -109.4 | 138.5 | 167.8 | -164.3 | 0 | 0 | 0 | 0 | 109 | A137 | A137-S139 PolarHBondContact O-N 2.96Š| ||
| 140 | P | 57.7 | Low | 59.2 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | -61.6 | 160.8 | -179.7 | -21.9 | 33.8 | 0 | 0 | 0 | 113.1 | A142 | P140-A142 PolarHBondContact O-N 3.17Š| ||
| 141 | P | 54.9 | Low | 61.6 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 53% | 0.532 | 67% | 0.666 | S | S | . | * | trans | -81.5 | 78 | -158.5 | 33.9 | -38.2 | 0 | 0 | 0 | 114.2 | H143 N144 | P141-H143 PolarHBondContact O-N 2.92Å; P141-H143 VanDerWaalsContact O-N 3.15Å; P141-N144 PolarHBondContact O-N 3.4Å; P141-N144 VanDerWaalsContact O-N 3.14Å | ||
| 142 | A | 55.5 | Low | 64.1 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 60% | 0.603 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -57.7 | -20.7 | 163 | 0 | 0 | 0 | 0 | 0 | 112.7 | P140 N144 | P140-A142 PolarHBondContact O-N 3.17Å; A142-N144 PolarHBondContact O-N 3.01Å |
| 143 | H | 57.4 | Low | 66.4 | Low | 136 Ų | 136 | 107.5 Ų | 107.5 | 63% | 0.63 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.3 | -21.1 | 175 | -155.7 | -33 | 0 | 0 | 0 | 113.6 | P141 N147 | P141-H143 PolarHBondContact O-N 2.92Å; P141-H143 VanDerWaalsContact O-N 3.15Å; H143-N147 PolarHBondContact ND1-OD1 2.92Å; H143-N147 WeakPolarHBondContact O-CB 3.48Å; H143-N147 PolarHBondContact O-OD1 3.25Å |
| 144 | N | 59.3 | Low | 69.1 | Low | 95 Ų | 95 | 107.8 Ų | 107.8 | 51% | 0.508 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -83 | -35.4 | -176.7 | -70.2 | -14.9 | 0 | 0 | 0 | 113 | P141 A142 N147 I148 | P141-N144 PolarHBondContact O-N 3.4Å; P141-N144 VanDerWaalsContact O-N 3.14Å; A142-N144 PolarHBondContact O-N 3.01Å; N144-N147 PolarHBondContact O-N 2.91Å; N144-I148 WeakPolarHBondContact O-CG1 3.45Å; N144-I148 PolarHBondContact O-N 3.48Å; N144-I148 VanDerWaalsContact O-N 3.12Å |
| 145 | V | 60.8 | Low | 71.4 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.7 | -49.4 | -176.4 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | N147 I148 D149 | V145-N147 PolarHBondContact O-N 3.07Å; V145-N147 VanDerWaalsContact O-N 3.1Å; V145-I148 WeakPolarHBondContact O-CB 3.27Å; V145-I148 PolarHBondContact O-N 2.73Å; V145-D149 PolarHBondContact O-N 3.49Å; V145-D149 VanDerWaalsContact O-N 3.16Å |
| 146 | L | 65.4 | Low | 74.1 | Confident | 112 Ų | 112 | 100.5 Ų | 100.5 | 59% | 0.586 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.1 | -27.3 | 174.5 | -60.3 | 175.6 | 0 | 0 | 0 | 112.7 | N150 | L146-N150 WeakPolarHBondContact O-CB 3.41Å; L146-N150 VanDerWaalsContact O-CG 3.31Å; L146-N150 PolarHBondContact O-N 3.22Å; L146-N150 PolarHBondContact O-ND2 3.03Å |
| 147 | N | 83.4 | Confident | 76.1 | Confident | 69 Ų | 69 | 96.7 Ų | 96.7 | 37% | 0.369 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -82.2 | -21.4 | 176.2 | -76.9 | 38.1 | 0 | 0 | 0 | 113.3 | H143 N144 V145 K151 | H143-N147 PolarHBondContact ND1-OD1 2.92Å; H143-N147 WeakPolarHBondContact O-CB 3.48Å; H143-N147 PolarHBondContact O-OD1 3.25Å; N144-N147 PolarHBondContact O-N 2.91Å; V145-N147 PolarHBondContact O-N 3.07Å; V145-N147 VanDerWaalsContact O-N 3.1Å; N147-K151 WeakPolarHBondContact O-CD 3.47Å; N147-K151 VanDerWaalsContact O-CG 3.22Å; N147-K151 WeakPolarHBondContact O-CG 3.41Å; N147-K151 PolarHBondContact O-N 3.19Å |
| 148 | I | 91.2 | Very high | 78.6 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 47% | 0.472 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.4 | -47.2 | 174.1 | -71.4 | 162 | 0 | 0 | 0 | 109.7 | N144 V145 N150 K151 I152 | N144-I148 WeakPolarHBondContact O-CG1 3.45Å; N144-I148 PolarHBondContact O-N 3.48Å; N144-I148 VanDerWaalsContact O-N 3.12Å; V145-I148 WeakPolarHBondContact O-CB 3.27Å; V145-I148 PolarHBondContact O-N 2.73Å; I148-N150 VanDerWaalsContact C-N 3.31Å; I148-N150 PolarHBondContact O-N 3.46Å; I148-K151 CarbonylContact O-C 3.58Å; I148-K151 WeakPolarHBondContact O-CA 3.33Å; I148-K151 WeakPolarHBondContact O-CB 3.31Å; I148-K151 PolarHBondContact O-N 3.46Å; I148-I152 HydrophobicContact CG2-CD1 3.8Å; I148-I152 HydrophobicContact CG2-CG1 4.35Å; I148-I152 WeakPolarHBondContact O-CG1 3.49Å; I148-I152 PolarHBondContact O-N 3.16Å |
| 149 | D | 94 | Very high | 80.7 | Confident | 91 Ų | 91 | 97.8 Ų | 97.8 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 178.6 | -59.5 | -27.2 | 0 | 0 | 0 | 110.8 | V145 K151 I152 E153 | V145-D149 PolarHBondContact O-N 3.49Å; V145-D149 VanDerWaalsContact O-N 3.16Å; D149-K151 VanDerWaalsContact C-N 3.26Å; D149-K151 PolarHBondContact O-N 3.12Å; D149-I152 PolarHBondContact O-N 2.86Å; D149-I152 VanDerWaalsContact O-N 3.16Å; D149-E153 PolarHBondContact O-N 2.93Å |
| 150 | N | 93 | Very high | 83 | Confident | 98 Ų | 98 | 97 Ų | 97 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -29.5 | 173.3 | -77.2 | -28 | 0 | 0 | 0 | 113.9 | L146 I148 Q154 | L146-N150 WeakPolarHBondContact O-CB 3.41Å; L146-N150 VanDerWaalsContact O-CG 3.31Å; L146-N150 PolarHBondContact O-N 3.22Å; L146-N150 PolarHBondContact O-ND2 3.03Å; I148-N150 VanDerWaalsContact C-N 3.31Å; I148-N150 PolarHBondContact O-N 3.46Å; N150-Q154 WeakPolarHBondContact O-CB 3.03Å; N150-Q154 VanDerWaalsContact O-CG 3.29Å; N150-Q154 WeakPolarHBondContact O-CG 3.26Å; N150-Q154 PolarHBondContact O-N 3.24Å; N150-Q154 PolarHBondContact O-NE2 2.84Å |
| 151 | K | 94.8 | Very high | 85 | Confident | 142 Ų | 142 | 95 Ų | 95 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -78.4 | -35.1 | 175.5 | -80.9 | 169.8 | 174.7 | -69.2 | 0 | 112 | N147 I148 D149 A155 | N147-K151 WeakPolarHBondContact O-CD 3.47Å; N147-K151 VanDerWaalsContact O-CG 3.22Å; N147-K151 WeakPolarHBondContact O-CG 3.41Å; N147-K151 PolarHBondContact O-N 3.19Å; I148-K151 CarbonylContact O-C 3.58Å; I148-K151 WeakPolarHBondContact O-CA 3.33Å; I148-K151 WeakPolarHBondContact O-CB 3.31Å; I148-K151 PolarHBondContact O-N 3.46Å; D149-K151 VanDerWaalsContact C-N 3.26Å; D149-K151 PolarHBondContact O-N 3.12Å; K151-A155 WeakPolarHBondContact O-CB 3.47Å; K151-A155 PolarHBondContact O-N 3.3Å |
| 152 | I | 95.7 | Very high | 87 | Confident | 101 Ų | 101 | 97.6 Ų | 97.6 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 173.2 | -67 | 168.1 | 0 | 0 | 0 | 109.4 | I148 D149 Q154 A155 M156 | I148-I152 HydrophobicContact CG2-CD1 3.8Å; I148-I152 HydrophobicContact CG2-CG1 4.35Å; I148-I152 WeakPolarHBondContact O-CG1 3.49Å; I148-I152 PolarHBondContact O-N 3.16Å; D149-I152 PolarHBondContact O-N 2.86Å; D149-I152 VanDerWaalsContact O-N 3.16Å; I152-Q154 PolarHBondContact O-N 2.97Å; I152-A155 PolarHBondContact O-N 3.46Å; I152-M156 WeakPolarHBondContact O-CB 3.21Å; I152-M156 PolarHBondContact O-N 2.96Å |
| 153 | E | 96 | Very high | 89.1 | Confident | 87 Ų | 87 | 99.2 Ų | 99.2 | 41% | 0.407 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 177.3 | -163.2 | 63.3 | -153.1 | 0 | 0 | 111.3 | D149 A155 M156 D157 | D149-E153 PolarHBondContact O-N 2.93Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.46Å; E153-M156 VanDerWaalsContact CD-CE 3.42Å; E153-M156 PolarHBondContact O-N 3.37Å; E153-M156 VanDerWaalsContact O-N 3.16Å; E153-M156 WeakPolarHBondContact OE1-CE 3.4Å; E153-M156 WeakPolarHBondContact OE2-CE 3.35Å; E153-D157 WeakPolarHBondContact O-CB 3.49Å; E153-D157 PolarHBondContact O-N 3.24Å |
| 154 | Q | 96.4 | Very high | 91 | Very high | 132 Ų | 132 | 99 Ų | 99 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.6 | -42.3 | 174.2 | -81 | 167.3 | 76.1 | 0 | 0 | 113.2 | N150 I152 L158 | N150-Q154 WeakPolarHBondContact O-CB 3.03Å; N150-Q154 VanDerWaalsContact O-CG 3.29Å; N150-Q154 WeakPolarHBondContact O-CG 3.26Å; N150-Q154 PolarHBondContact O-N 3.24Å; N150-Q154 PolarHBondContact O-NE2 2.84Å; I152-Q154 PolarHBondContact O-N 2.97Å; Q154-L158 WeakPolarHBondContact O-CB 3.08Å; Q154-L158 PolarHBondContact O-N 3.02Å |
| 155 | A | 97.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 100.1 Ų | 100.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K151 I152 E153 L158 V159 | K151-A155 WeakPolarHBondContact O-CB 3.47Å; K151-A155 PolarHBondContact O-N 3.3Å; I152-A155 PolarHBondContact O-N 3.46Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.46Å; A155-L158 PolarHBondContact O-N 3.01Å; A155-V159 WeakPolarHBondContact O-CG2 3.49Å; A155-V159 PolarHBondContact O-N 3Å |
| 156 | M | 98.2 | Very high | 94.6 | Very high | 91 Ų | 91 | 97.7 Ų | 97.7 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 177.3 | -176.4 | 173.3 | 59.1 | 0 | 0 | 112 | I152 E153 L158 V159 K160 | I152-M156 WeakPolarHBondContact O-CB 3.21Å; I152-M156 PolarHBondContact O-N 2.96Å; E153-M156 VanDerWaalsContact CD-CE 3.42Å; E153-M156 PolarHBondContact O-N 3.37Å; E153-M156 VanDerWaalsContact O-N 3.16Å; E153-M156 WeakPolarHBondContact OE1-CE 3.4Å; E153-M156 WeakPolarHBondContact OE2-CE 3.35Å; M156-L158 VanDerWaalsContact C-N 3.35Å; M156-V159 PolarHBondContact O-N 2.96Å; M156-K160 WeakPolarHBondContact O-CB 3.35Å; M156-K160 PolarHBondContact O-N 3.44Å |
| 157 | D | 97.8 | Very high | 96.2 | Very high | 67 Ų | 67 | 96.1 Ų | 96.1 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 175.4 | -88.1 | -19.4 | 0 | 0 | 0 | 112.3 | E153 K160 T161 | E153-D157 WeakPolarHBondContact O-CB 3.49Å; E153-D157 PolarHBondContact O-N 3.24Å; D157-K160 WeakPolarHBondContact OD1-CE 3.34Å; D157-K160 IonicContact OD1-NZ 3.75Å; D157-K160 PolarHBondContact OD1-NZ 3.35Å; D157-T161 WeakPolarHBondContact O-CB 3.16Å; D157-T161 PolarHBondContact O-N 3.48Å; D157-T161 PolarHBondContact O-OG1 3.43Å |
| 158 | L | 98 | Very high | 96.9 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -46.5 | 172 | -178.2 | 62.7 | 0 | 0 | 0 | 111.4 | Q154 A155 M156 T161 H162 | Q154-L158 WeakPolarHBondContact O-CB 3.08Å; Q154-L158 PolarHBondContact O-N 3.02Å; A155-L158 PolarHBondContact O-N 3.01Å; M156-L158 VanDerWaalsContact C-N 3.35Å; L158-T161 PolarHBondContact O-N 2.74Å; L158-H162 WeakPolarHBondContact O-CB 3.29Å; L158-H162 PolarHBondContact O-N 2.88Å |
| 159 | V | 98.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 103.2 Ų | 103.2 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 176.4 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | A155 M156 H162 L163 | A155-V159 WeakPolarHBondContact O-CG2 3.49Å; A155-V159 PolarHBondContact O-N 3Å; M156-V159 PolarHBondContact O-N 2.96Å; V159-H162 PolarHBondContact O-N 2.94Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 3.35Å |
| 160 | K | 98.5 | Very high | 97.5 | Very high | 95 Ų | 95 | 105.3 Ų | 105.3 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 176.1 | -177.2 | -169.7 | -60.1 | 162.4 | 0 | 110.7 | M156 D157 L163 M164 | M156-K160 WeakPolarHBondContact O-CB 3.35Å; M156-K160 PolarHBondContact O-N 3.44Å; D157-K160 WeakPolarHBondContact OD1-CE 3.34Å; D157-K160 IonicContact OD1-NZ 3.75Å; D157-K160 PolarHBondContact OD1-NZ 3.35Å; K160-L163 PolarHBondContact O-N 3.26Å; K160-M164 HydrophobicContact CG-SD 4.43Å; K160-M164 WeakPolarHBondContact O-CB 3.4Å; K160-M164 VanDerWaalsContact O-CG 3.26Å; K160-M164 WeakPolarHBondContact O-CG 3.49Å; K160-M164 PolarHBondContact O-N 3.25Å |
| 161 | T | 98.1 | Very high | 97.7 | Very high | 65 Ų | 65 | 103.3 Ų | 103.3 | 40% | 0.399 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 177.9 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | D157 L158 M164 F165 | D157-T161 WeakPolarHBondContact O-CB 3.16Å; D157-T161 PolarHBondContact O-N 3.48Å; D157-T161 PolarHBondContact O-OG1 3.43Å; L158-T161 PolarHBondContact O-N 2.74Å; T161-M164 PolarHBondContact O-N 2.97Å; T161-F165 HydrophobicContact CG2-CD2 3.79Å; T161-F165 HydrophobicContact CG2-CE2 3.4Å; T161-F165 VanDerWaalsContact CG2-CE2 3.4Å; T161-F165 HydrophobicContact CG2-CZ 4.45Å; T161-F165 WeakPolarHBondContact O-CD2 3.36Å; T161-F165 PolarHBondContact O-N 3.46Å |
| 162 | H | 98.3 | Very high | 97.9 | Very high | 136 Ų | 136 | 100 Ų | 100 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -43 | 179.1 | -172 | 57.3 | 0 | 0 | 0 | 112 | L158 V159 F165 A166 | L158-H162 WeakPolarHBondContact O-CB 3.29Å; L158-H162 PolarHBondContact O-N 2.88Å; V159-H162 PolarHBondContact O-N 2.94Å; H162-F165 PolarHBondContact O-N 3Å; H162-A166 WeakPolarHBondContact O-CB 3.45Å; H162-A166 PolarHBondContact O-N 3Å |
| 163 | L | 98.5 | Very high | 98 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 175.4 | -176.7 | 64.7 | 0 | 0 | 0 | 111.7 | V159 K160 F165 A166 V167 | V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 PolarHBondContact O-N 3.35Å; K160-L163 PolarHBondContact O-N 3.26Å; L163-F165 VanDerWaalsContact C-N 3.31Å; L163-F165 PolarHBondContact O-N 3.42Å; L163-A166 PolarHBondContact O-N 2.91Å; L163-V167 HydrophobicContact CD1-CG2 3.75Å; L163-V167 HydrophobicContact CG-CG2 4.12Å; L163-V167 VanDerWaalsContact O-CB 3.3Å; L163-V167 WeakPolarHBondContact O-CB 3.39Å; L163-V167 VanDerWaalsContact O-CG2 3.25Å; L163-V167 WeakPolarHBondContact O-CG2 3.43Å; L163-V167 PolarHBondContact O-N 3.41Å |
| 164 | M | 97.9 | Very high | 98.2 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.5 | -39.2 | 175.5 | -77.1 | 178.2 | 67.5 | 0 | 0 | 112.4 | K160 T161 R168 | K160-M164 HydrophobicContact CG-SD 4.43Å; K160-M164 WeakPolarHBondContact O-CB 3.4Å; K160-M164 VanDerWaalsContact O-CG 3.26Å; K160-M164 WeakPolarHBondContact O-CG 3.49Å; K160-M164 PolarHBondContact O-N 3.25Å; T161-M164 PolarHBondContact O-N 2.97Å; M164-R168 VanDerWaalsContact O-CB 3.27Å; M164-R168 WeakPolarHBondContact O-CB 3.31Å; M164-R168 PolarHBondContact O-N 3.06Å |
| 165 | F | 98.2 | Very high | 98.3 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70 | -51.7 | 174.5 | -72.8 | -56.7 | 0 | 0 | 0 | 112 | T161 H162 L163 V167 R168 E169 | T161-F165 HydrophobicContact CG2-CD2 3.79Å; T161-F165 HydrophobicContact CG2-CE2 3.4Å; T161-F165 VanDerWaalsContact CG2-CE2 3.4Å; T161-F165 HydrophobicContact CG2-CZ 4.45Å; T161-F165 WeakPolarHBondContact O-CD2 3.36Å; T161-F165 PolarHBondContact O-N 3.46Å; H162-F165 PolarHBondContact O-N 3Å; L163-F165 VanDerWaalsContact C-N 3.31Å; L163-F165 PolarHBondContact O-N 3.42Å; F165-V167 PolarHBondContact O-N 3.31Å; F165-R168 WeakPolarHBondContact O-CB 3.44Å; F165-R168 PolarHBondContact O-N 3.39Å; F165-E169 WeakPolarHBondContact O-CG 3.25Å; F165-E169 PolarHBondContact O-N 2.73Å |
| 166 | A | 98.2 | Very high | 98.3 | Very high | 38 Ų | 38 | 98.4 Ų | 98.4 | 31% | 0.314 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -45.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H162 L163 R168 E169 E170 | H162-A166 WeakPolarHBondContact O-CB 3.45Å; H162-A166 PolarHBondContact O-N 3Å; L163-A166 PolarHBondContact O-N 2.91Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 3.01Å; A166-E169 PolarHBondContact O-N 3.03Å; A166-E170 WeakPolarHBondContact O-CG 3.37Å; A166-E170 PolarHBondContact O-N 3.06Å |
| 167 | V | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 100.2 Ų | 100.2 | 49% | 0.485 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L163 F165 V171 | L163-V167 HydrophobicContact CD1-CG2 3.75Å; L163-V167 HydrophobicContact CG-CG2 4.12Å; L163-V167 VanDerWaalsContact O-CB 3.3Å; L163-V167 WeakPolarHBondContact O-CB 3.39Å; L163-V167 VanDerWaalsContact O-CG2 3.25Å; L163-V167 WeakPolarHBondContact O-CG2 3.43Å; L163-V167 PolarHBondContact O-N 3.41Å; F165-V167 PolarHBondContact O-N 3.31Å; V167-V171 HydrophobicContact CG1-CG2 4.41Å; V167-V171 WeakPolarHBondContact O-CB 3.22Å; V167-V171 WeakPolarHBondContact O-CG2 3.49Å; V167-V171 PolarHBondContact O-N 3.26Å |
| 168 | R | 98.1 | Very high | 98.4 | Very high | 168 Ų | 168 | 101.5 Ų | 101.5 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -46.8 | 176.5 | -173 | -178.7 | -154 | 142.9 | 6.7 | 111.7 | M164 F165 A166 V171 D172 | M164-R168 VanDerWaalsContact O-CB 3.27Å; M164-R168 WeakPolarHBondContact O-CB 3.31Å; M164-R168 PolarHBondContact O-N 3.06Å; F165-R168 WeakPolarHBondContact O-CB 3.44Å; F165-R168 PolarHBondContact O-N 3.39Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 3.01Å; R168-V171 PolarHBondContact O-N 2.9Å; R168-D172 WeakPolarHBondContact O-CB 3.5Å; R168-D172 PolarHBondContact O-N 2.99Å |
| 169 | E | 98.3 | Very high | 98.4 | Very high | 142 Ų | 142 | 101.3 Ų | 101.3 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 178.4 | -71.3 | -179.6 | 164.8 | 0 | 0 | 111.5 | F165 A166 D172 G173 | F165-E169 WeakPolarHBondContact O-CG 3.25Å; F165-E169 PolarHBondContact O-N 2.73Å; A166-E169 PolarHBondContact O-N 3.03Å; E169-D172 PolarHBondContact O-N 3.36Å; E169-G173 PolarHBondContact O-N 3.5Å |
| 170 | E | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 101.6 Ų | 101.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 174.5 | -71.7 | -63.8 | 146.7 | 0 | 0 | 112.2 | A166 G173 L174 | A166-E170 WeakPolarHBondContact O-CG 3.37Å; A166-E170 PolarHBondContact O-N 3.06Å; E170-G173 PolarHBondContact O-N 2.87Å; E170-L174 WeakPolarHBondContact O-CB 3.46Å; E170-L174 VanDerWaalsContact O-CG 3.25Å; E170-L174 WeakPolarHBondContact O-CG 3.34Å; E170-L174 PolarHBondContact O-N 3.12Å |
| 171 | V | 98.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 101.5 Ų | 101.5 | 35% | 0.345 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 178.3 | 165.4 | 0 | 0 | 0 | 0 | 112 | V167 R168 L174 R175 | V167-V171 HydrophobicContact CG1-CG2 4.41Å; V167-V171 WeakPolarHBondContact O-CB 3.22Å; V167-V171 WeakPolarHBondContact O-CG2 3.49Å; V167-V171 PolarHBondContact O-N 3.26Å; R168-V171 PolarHBondContact O-N 2.9Å; V171-L174 PolarHBondContact O-N 3.38Å; V171-R175 WeakPolarHBondContact O-CD 3.26Å; V171-R175 VanDerWaalsContact O-CG 3.26Å; V171-R175 WeakPolarHBondContact O-CG 3.25Å; V171-R175 PolarHBondContact O-N 3.29Å |
| 172 | D | 98.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 103.3 Ų | 103.3 | 39% | 0.385 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.6 | -32.7 | 179.9 | -70.3 | -26.3 | 0 | 0 | 0 | 111.4 | R168 E169 R175 G176 | R168-D172 WeakPolarHBondContact O-CB 3.5Å; R168-D172 PolarHBondContact O-N 2.99Å; E169-D172 PolarHBondContact O-N 3.36Å; D172-R175 PolarHBondContact O-N 2.84Å; D172-R175 IonicContact OD1-CZ 3.84Å; D172-R175 IonicContact OD1-NH1 3.48Å; D172-R175 PolarHBondContact OD1-NH1 3.01Å; D172-G176 PolarHBondContact O-N 2.96Å |
| 173 | G | 98.5 | Very high | 98.4 | Very high | 47 Ų | 47 | 98.9 Ų | 98.9 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | E169 E170 G176 K177 | E169-G173 PolarHBondContact O-N 3.5Å; E170-G173 PolarHBondContact O-N 2.87Å; G173-G176 PolarHBondContact O-N 3.44Å; G173-K177 WeakPolarHBondContact O-CB 3.31Å; G173-K177 PolarHBondContact O-N 3.43Å |
| 174 | L | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 97.9 Ų | 97.9 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | 174.6 | -74 | 172 | 0 | 0 | 0 | 112 | E170 V171 K177 I178 | E170-L174 WeakPolarHBondContact O-CB 3.46Å; E170-L174 VanDerWaalsContact O-CG 3.25Å; E170-L174 WeakPolarHBondContact O-CG 3.34Å; E170-L174 PolarHBondContact O-N 3.12Å; V171-L174 PolarHBondContact O-N 3.38Å; L174-K177 PolarHBondContact O-N 2.65Å; L174-I178 VanDerWaalsContact O-CG1 3.29Å; L174-I178 WeakPolarHBondContact O-CG1 3.37Å; L174-I178 PolarHBondContact O-N 3.32Å |
| 175 | R | 98.6 | Very high | 98.5 | Very high | 156 Ų | 156 | 95.1 Ų | 95.1 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.9 | -46.2 | 174.2 | -75.7 | 164.2 | 170.2 | 169.4 | -3 | 112 | V171 D172 K177 I178 F179 | V171-R175 WeakPolarHBondContact O-CD 3.26Å; V171-R175 VanDerWaalsContact O-CG 3.26Å; V171-R175 WeakPolarHBondContact O-CG 3.25Å; V171-R175 PolarHBondContact O-N 3.29Å; D172-R175 PolarHBondContact O-N 2.84Å; D172-R175 IonicContact OD1-CZ 3.84Å; D172-R175 IonicContact OD1-NH1 3.48Å; D172-R175 PolarHBondContact OD1-NH1 3.01Å; R175-K177 VanDerWaalsContact C-N 3.33Å; R175-K177 PolarHBondContact O-N 2.91Å; R175-I178 PolarHBondContact O-N 3.2Å; R175-F179 WeakPolarHBondContact O-CB 3.39Å; R175-F179 PolarHBondContact O-N 3.4Å |
| 176 | G | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 95.9 Ų | 95.9 | 34% | 0.34 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | D172 G173 I178 F179 D180 | D172-G176 PolarHBondContact O-N 2.96Å; G173-G176 PolarHBondContact O-N 3.44Å; G176-I178 PolarHBondContact O-N 2.93Å; G176-F179 PolarHBondContact O-N 2.88Å; G176-D180 PolarHBondContact O-N 3.13Å |
| 177 | K | 98.5 | Very high | 98.5 | Very high | 129 Ų | 129 | 101 Ų | 101 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 178.2 | -169.6 | 64.5 | 175.6 | -176.4 | 0 | 113 | G173 L174 R175 L181 | G173-K177 WeakPolarHBondContact O-CB 3.31Å; G173-K177 PolarHBondContact O-N 3.43Å; L174-K177 PolarHBondContact O-N 2.65Å; R175-K177 VanDerWaalsContact C-N 3.33Å; R175-K177 PolarHBondContact O-N 2.91Å; K177-L181 HydrophobicContact CG-CD1 4.23Å; K177-L181 WeakPolarHBondContact O-CB 3.39Å; K177-L181 VanDerWaalsContact O-CG 3.25Å; K177-L181 WeakPolarHBondContact O-CG 3.49Å; K177-L181 PolarHBondContact O-N 2.82Å; K177-L181 VanDerWaalsContact O-N 3.12Å |
| 178 | I | 98.7 | Very high | 98.4 | Very high | 94 Ų | 94 | 101 Ų | 101 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -50.3 | 175.2 | -70.1 | 162.8 | 0 | 0 | 0 | 109.9 | L174 R175 G176 D180 L181 E182 | L174-I178 VanDerWaalsContact O-CG1 3.29Å; L174-I178 WeakPolarHBondContact O-CG1 3.37Å; L174-I178 PolarHBondContact O-N 3.32Å; R175-I178 PolarHBondContact O-N 3.2Å; G176-I178 PolarHBondContact O-N 2.93Å; I178-D180 PolarHBondContact O-N 3.31Å; I178-L181 PolarHBondContact O-N 3.45Å; I178-L181 VanDerWaalsContact O-N 3.16Å; I178-E182 HydrophobicContact CG2-CG 4.26Å; I178-E182 WeakPolarHBondContact O-CG 3.33Å; I178-E182 PolarHBondContact O-N 3.04Å |
| 179 | F | 98.5 | Very high | 98.4 | Very high | 120 Ų | 120 | 98.8 Ų | 98.8 | 53% | 0.526 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 179.6 | 178.6 | -105 | 0 | 0 | 0 | 112.7 | R175 G176 E182 N183 | R175-F179 WeakPolarHBondContact O-CB 3.39Å; R175-F179 PolarHBondContact O-N 3.4Å; G176-F179 PolarHBondContact O-N 2.88Å; F179-E182 PolarHBondContact O-N 2.91Å; F179-N183 VanDerWaalsContact CD1-ND2 3.31Å; F179-N183 WeakPolarHBondContact CD1-ND2 3.35Å; F179-N183 WeakPolarHBondContact CE1-ND2 3.43Å; F179-N183 WeakPolarHBondContact CZ-ND2 3.18Å; F179-N183 WeakPolarHBondContact O-CB 3.3Å; F179-N183 PolarHBondContact O-N 2.88Å; F179-N183 PolarHBondContact O-ND2 3.47Å |
| 180 | D | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 94.5 Ų | 94.5 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 176.7 | -75.5 | -19 | 0 | 0 | 0 | 112.5 | G176 I178 N183 H184 | G176-D180 PolarHBondContact O-N 3.13Å; I178-D180 PolarHBondContact O-N 3.31Å; D180-N183 PolarHBondContact O-N 2.85Å; D180-H184 WeakPolarHBondContact O-CB 3.06Å; D180-H184 PolarHBondContact O-N 2.98Å |
| 181 | L | 98.7 | Very high | 98.2 | Very high | 93 Ų | 93 | 92.5 Ų | 92.5 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 177.4 | -73.5 | 171.1 | 0 | 0 | 0 | 111.8 | K177 I178 N183 H184 V185 | K177-L181 HydrophobicContact CG-CD1 4.23Å; K177-L181 WeakPolarHBondContact O-CB 3.39Å; K177-L181 VanDerWaalsContact O-CG 3.25Å; K177-L181 WeakPolarHBondContact O-CG 3.49Å; K177-L181 PolarHBondContact O-N 2.82Å; K177-L181 VanDerWaalsContact O-N 3.12Å; I178-L181 PolarHBondContact O-N 3.45Å; I178-L181 VanDerWaalsContact O-N 3.16Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-N183 PolarHBondContact O-N 2.88Å; L181-H184 PolarHBondContact O-N 3.36Å; L181-V185 WeakPolarHBondContact O-CG2 3.21Å; L181-V185 PolarHBondContact O-N 2.86Å |
| 182 | E | 98.5 | Very high | 98 | Very high | 102 Ų | 102 | 93.4 Ų | 93.4 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.7 | -73.2 | 179.6 | 174 | 0 | 0 | 111.8 | I178 F179 H184 V185 R186 | I178-E182 HydrophobicContact CG2-CG 4.26Å; I178-E182 WeakPolarHBondContact O-CG 3.33Å; I178-E182 PolarHBondContact O-N 3.04Å; F179-E182 PolarHBondContact O-N 2.91Å; E182-H184 VanDerWaalsContact C-N 3.33Å; E182-H184 PolarHBondContact O-N 3.3Å; E182-V185 PolarHBondContact O-N 3.16Å; E182-R186 VanDerWaalsContact O-CB 3.31Å; E182-R186 WeakPolarHBondContact O-CB 3.41Å; E182-R186 PolarHBondContact O-N 2.72Å |
| 183 | N | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 92.6 Ų | 92.6 | 24% | 0.235 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 175.8 | -71.3 | -33.7 | 0 | 0 | 0 | 112.3 | F179 D180 L181 R186 R187 | F179-N183 VanDerWaalsContact CD1-ND2 3.31Å; F179-N183 WeakPolarHBondContact CD1-ND2 3.35Å; F179-N183 WeakPolarHBondContact CE1-ND2 3.43Å; F179-N183 WeakPolarHBondContact CZ-ND2 3.18Å; F179-N183 WeakPolarHBondContact O-CB 3.3Å; F179-N183 PolarHBondContact O-N 2.88Å; F179-N183 PolarHBondContact O-ND2 3.47Å; D180-N183 PolarHBondContact O-N 2.85Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-N183 PolarHBondContact O-N 2.88Å; N183-R186 PolarHBondContact OD1-NH1 2.88Å; N183-R187 WeakPolarHBondContact O-CB 3.25Å; N183-R187 PolarHBondContact O-N 3.16Å |
| 184 | H | 98.5 | Very high | 97.4 | Very high | 86 Ų | 86 | 94.7 Ų | 94.7 | 40% | 0.398 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -46.7 | 175.2 | -174.5 | 40.9 | 0 | 0 | 0 | 111.7 | D180 L181 E182 R187 L188 | D180-H184 WeakPolarHBondContact O-CB 3.06Å; D180-H184 PolarHBondContact O-N 2.98Å; L181-H184 PolarHBondContact O-N 3.36Å; E182-H184 VanDerWaalsContact C-N 3.33Å; E182-H184 PolarHBondContact O-N 3.3Å; H184-R187 WeakPolarHBondContact O-CB 3.44Å; H184-R187 PolarHBondContact O-N 3.26Å; H184-L188 WeakPolarHBondContact O-CG 3.1Å; H184-L188 PolarHBondContact O-N 3.35Å |
| 185 | V | 98.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 94.2 Ų | 94.2 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | L181 E182 R187 L188 E189 | L181-V185 WeakPolarHBondContact O-CG2 3.21Å; L181-V185 PolarHBondContact O-N 2.86Å; E182-V185 PolarHBondContact O-N 3.16Å; V185-R187 PolarHBondContact O-N 3.37Å; V185-L188 CarbonylContact O-C 3.59Å; V185-L188 PolarHBondContact O-N 3.16Å; V185-L188 VanDerWaalsContact O-N 3.07Å; V185-E189 HydrophobicContact CG1-CG 4.13Å; V185-E189 WeakPolarHBondContact O-CB 3.26Å; V185-E189 WeakPolarHBondContact O-CG 3.27Å; V185-E189 PolarHBondContact O-N 2.79Å |
| 186 | R | 98.1 | Very high | 96.6 | Very high | 135 Ų | 135 | 91.9 Ų | 91.9 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.7 | -35.3 | 179.5 | -165.1 | -174.2 | -52.9 | 114.4 | 8.5 | 112.9 | E182 N183 A190 | E182-R186 VanDerWaalsContact O-CB 3.31Å; E182-R186 WeakPolarHBondContact O-CB 3.41Å; E182-R186 PolarHBondContact O-N 2.72Å; N183-R186 PolarHBondContact OD1-NH1 2.88Å; R186-A190 PolarHBondContact O-N 3.17Å; R186-A190 VanDerWaalsContact O-N 3.14Å |
| 187 | R | 98.1 | Very high | 96.1 | Very high | 146 Ų | 146 | 99 Ų | 99 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.9 | -49.4 | 175 | -166.2 | -161.2 | -48.3 | 169.9 | 6.4 | 111.3 | N183 H184 V185 E189 A190 E191 | N183-R187 WeakPolarHBondContact O-CB 3.25Å; N183-R187 PolarHBondContact O-N 3.16Å; H184-R187 WeakPolarHBondContact O-CB 3.44Å; H184-R187 PolarHBondContact O-N 3.26Å; V185-R187 PolarHBondContact O-N 3.37Å; R187-E189 VanDerWaalsContact C-N 3.3Å; R187-E189 PolarHBondContact O-N 3.01Å; R187-A190 WeakPolarHBondContact O-CB 3.4Å; R187-A190 PolarHBondContact O-N 2.93Å; R187-E191 WeakPolarHBondContact CD-OE1 3.33Å; R187-E191 WeakPolarHBondContact CG-OE1 3.19Å; R187-E191 WeakPolarHBondContact O-CG 3.49Å; R187-E191 PolarHBondContact O-N 2.93Å |
| 188 | L | 98.1 | Very high | 95.6 | Very high | 80 Ų | 80 | 98 Ų | 98 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 177 | -70.6 | 176.9 | 0 | 0 | 0 | 111.9 | H184 V185 E191 N192 | H184-L188 WeakPolarHBondContact O-CG 3.1Å; H184-L188 PolarHBondContact O-N 3.35Å; V185-L188 CarbonylContact O-C 3.59Å; V185-L188 PolarHBondContact O-N 3.16Å; V185-L188 VanDerWaalsContact O-N 3.07Å; L188-E191 PolarHBondContact O-N 3.21Å; L188-N192 WeakPolarHBondContact O-CB 3.16Å; L188-N192 PolarHBondContact O-N 3.04Å |
| 189 | E | 96.9 | Very high | 95.1 | Very high | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 174.3 | -73.4 | 176.1 | 153.5 | 0 | 0 | 112 | V185 R187 S193 | V185-E189 HydrophobicContact CG1-CG 4.13Å; V185-E189 WeakPolarHBondContact O-CB 3.26Å; V185-E189 WeakPolarHBondContact O-CG 3.27Å; V185-E189 PolarHBondContact O-N 2.79Å; R187-E189 VanDerWaalsContact C-N 3.3Å; R187-E189 PolarHBondContact O-N 3.01Å; E189-S193 WeakPolarHBondContact O-CB 3.44Å; E189-S193 PolarHBondContact O-N 3.49Å |
| 190 | A | 96.2 | Very high | 94.4 | Very high | 53 Ų | 53 | 94.5 Ų | 94.5 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R186 R187 S193 I194 | R186-A190 PolarHBondContact O-N 3.17Å; R186-A190 VanDerWaalsContact O-N 3.14Å; R187-A190 WeakPolarHBondContact O-CB 3.4Å; R187-A190 PolarHBondContact O-N 2.93Å; A190-S193 PolarHBondContact O-N 3.26Å; A190-I194 WeakPolarHBondContact O-CG1 3.43Å; A190-I194 PolarHBondContact O-N 3.37Å |
| 191 | E | 95.6 | Very high | 93.6 | Very high | 92 Ų | 92 | 95.1 Ų | 95.1 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.8 | -71.1 | 170 | -157.3 | 0 | 0 | 111.3 | R187 L188 S193 I194 L195 | R187-E191 WeakPolarHBondContact CD-OE1 3.33Å; R187-E191 WeakPolarHBondContact CG-OE1 3.19Å; R187-E191 WeakPolarHBondContact O-CG 3.49Å; R187-E191 PolarHBondContact O-N 2.93Å; L188-E191 PolarHBondContact O-N 3.21Å; E191-S193 VanDerWaalsContact C-N 3.35Å; E191-S193 PolarHBondContact O-N 3.04Å; E191-I194 PolarHBondContact O-N 3.14Å; E191-L195 WeakPolarHBondContact O-CG 3.32Å; E191-L195 PolarHBondContact O-N 3.15Å |
| 192 | N | 94.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 95.6 Ų | 95.6 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 178.4 | -166 | -81.7 | 0 | 0 | 0 | 111.9 | L188 L195 K196 | L188-N192 WeakPolarHBondContact O-CB 3.16Å; L188-N192 PolarHBondContact O-N 3.04Å; N192-L195 PolarHBondContact O-N 3.39Å; N192-K196 VanDerWaalsContact O-CB 3.31Å; N192-K196 WeakPolarHBondContact O-CB 3.38Å; N192-K196 WeakPolarHBondContact O-CG 3.43Å; N192-K196 PolarHBondContact O-N 3.12Å; N192-K196 VanDerWaalsContact OD1-CD 3.26Å; N192-K196 WeakPolarHBondContact OD1-CD 3.43Å; N192-K196 WeakPolarHBondContact OD1-CE 3.34Å; N192-K196 PolarHBondContact OD1-NZ 2.81Å |
| 193 | S | 92.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 94 Ų | 94 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | E189 A190 E191 R197 | E189-S193 WeakPolarHBondContact O-CB 3.44Å; E189-S193 PolarHBondContact O-N 3.49Å; A190-S193 PolarHBondContact O-N 3.26Å; E191-S193 VanDerWaalsContact C-N 3.35Å; E191-S193 PolarHBondContact O-N 3.04Å; S193-R197 WeakPolarHBondContact O-CG 3.49Å; S193-R197 PolarHBondContact O-N 3.42Å; S193-R197 PolarHBondContact O-NE 2.91Å; S193-R197 PolarHBondContact OG-NH2 3.1Å |
| 194 | I | 92.8 | Very high | 91.1 | Very high | 92 Ų | 92 | 93.4 Ų | 93.4 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.8 | -52.6 | 172.7 | -67.1 | 163.9 | 0 | 0 | 0 | 109.6 | A190 E191 K196 R197 T198 | A190-I194 WeakPolarHBondContact O-CG1 3.43Å; A190-I194 PolarHBondContact O-N 3.37Å; E191-I194 PolarHBondContact O-N 3.14Å; I194-K196 VanDerWaalsContact C-N 3.35Å; I194-K196 PolarHBondContact O-N 3.35Å; I194-R197 WeakPolarHBondContact O-CA 3.49Å; I194-R197 WeakPolarHBondContact O-CB 3.49Å; I194-R197 PolarHBondContact O-N 2.98Å; I194-T198 PolarHBondContact O-N 3.22Å; I194-T198 PolarHBondContact O-OG1 3.12Å |
| 195 | L | 92.1 | Very high | 90.2 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.5 | -46.1 | -179.9 | -71 | 168.2 | 0 | 0 | 0 | 112.3 | E191 N192 R197 T198 I199 | E191-L195 WeakPolarHBondContact O-CG 3.32Å; E191-L195 PolarHBondContact O-N 3.15Å; N192-L195 PolarHBondContact O-N 3.39Å; L195-R197 PolarHBondContact O-N 2.86Å; L195-T198 PolarHBondContact O-N 2.96Å; L195-T198 VanDerWaalsContact O-N 3.12Å; L195-I199 HydrophobicContact CB-CD1 4.18Å; L195-I199 WeakPolarHBondContact O-CB 3.45Å; L195-I199 WeakPolarHBondContact O-CD1 3.34Å; L195-I199 WeakPolarHBondContact O-CG1 3.2Å; L195-I199 PolarHBondContact O-N 2.9Å |
| 196 | K | 89.1 | Confident | 89.3 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -27.9 | 175.9 | -80.8 | 174.5 | 170.1 | 154.9 | 0 | 114.1 | N192 I194 L204 | N192-K196 VanDerWaalsContact O-CB 3.31Å; N192-K196 WeakPolarHBondContact O-CB 3.38Å; N192-K196 WeakPolarHBondContact O-CG 3.43Å; N192-K196 PolarHBondContact O-N 3.12Å; N192-K196 VanDerWaalsContact OD1-CD 3.26Å; N192-K196 WeakPolarHBondContact OD1-CD 3.43Å; N192-K196 WeakPolarHBondContact OD1-CE 3.34Å; N192-K196 PolarHBondContact OD1-NZ 2.81Å; I194-K196 VanDerWaalsContact C-N 3.35Å; I194-K196 PolarHBondContact O-N 3.35Å; K196-L204 HydrophobicContact CG-CD1 4.13Å |
| 197 | R | 87.5 | Confident | 88.3 | Confident | 182 Ų | 182 | 95.1 Ų | 95.1 | 69% | 0.687 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -85.6 | -26.1 | 176.2 | -74.3 | 178.2 | -74.7 | 163.7 | -4.8 | 113 | S193 I194 L195 | S193-R197 WeakPolarHBondContact O-CG 3.49Å; S193-R197 PolarHBondContact O-N 3.42Å; S193-R197 PolarHBondContact O-NE 2.91Å; S193-R197 PolarHBondContact OG-NH2 3.1Å; I194-R197 WeakPolarHBondContact O-CA 3.49Å; I194-R197 WeakPolarHBondContact O-CB 3.49Å; I194-R197 PolarHBondContact O-N 2.98Å; L195-R197 PolarHBondContact O-N 2.86Å |
| 198 | T | 88.4 | Confident | 87.3 | Confident | 108 Ų | 108 | 93.7 Ų | 93.7 | 66% | 0.663 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -92.9 | -27.1 | -177.4 | -53.5 | 0 | 0 | 0 | 0 | 113.3 | I194 L195 | I194-T198 PolarHBondContact O-N 3.22Å; I194-T198 PolarHBondContact O-OG1 3.12Å; L195-T198 PolarHBondContact O-N 2.96Å; L195-T198 VanDerWaalsContact O-N 3.12Å |
| 199 | I | 88.3 | Confident | 86.2 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 26% | 0.262 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -76.1 | 132.4 | -179.6 | -68.7 | 165.6 | 0 | 0 | 0 | 110.5 | L195 T203 L204 | L195-I199 HydrophobicContact CB-CD1 4.18Å; L195-I199 WeakPolarHBondContact O-CB 3.45Å; L195-I199 WeakPolarHBondContact O-CD1 3.34Å; L195-I199 WeakPolarHBondContact O-CG1 3.2Å; L195-I199 PolarHBondContact O-N 2.9Å; I199-T203 HydrophobicContact CG2-CG2 3.95Å; I199-L204 HydrophobicContact CB-CD1 4.48Å; I199-L204 HydrophobicContact CG2-CB 4.29Å; I199-L204 HydrophobicContact CG2-CD1 4.35Å |
| 200 | P | 84 | Confident | 84.8 | Confident | 89 Ų | 89 | 99.5 Ų | 99.5 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | trans | -56.4 | 139.9 | 174.2 | -26.6 | 35.4 | 0 | 0 | 0 | 113 | D202 T203 L204 | P200-D202 PolarHBondContact O-N 3.24Å; P200-D202 VanDerWaalsContact O-N 3.08Å; P200-T203 WeakPolarHBondContact O-CB 3.4Å; P200-T203 PolarHBondContact O-N 2.87Å; P200-L204 PolarHBondContact O-N 2.91Å | ||
| 201 | N | 81.1 | Confident | 82.7 | Confident | 119 Ų | 119 | 107 Ų | 107 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -53 | -36 | -173.7 | -77.3 | -70.6 | 0 | 0 | 0 | 114.2 | L204 K205 | N201-L204 WeakPolarHBondContact O-CB 3.22Å; N201-L204 PolarHBondContact O-N 3.01Å; N201-K205 VanDerWaalsContact O-CG 3.27Å; N201-K205 WeakPolarHBondContact O-CG 3.29Å; N201-K205 PolarHBondContact O-N 3.26Å |
| 202 | D | 80.5 | Confident | 82.1 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75 | -34.4 | -178.6 | -60.1 | -38.9 | 0 | 0 | 0 | 112.6 | P200 K205 Q206 | P200-D202 PolarHBondContact O-N 3.24Å; P200-D202 VanDerWaalsContact O-N 3.08Å; D202-K205 IonicContact OD1-NZ 2.74Å; D202-K205 PolarHBondContact OD1-NZ 2.82Å; D202-Q206 WeakPolarHBondContact O-CG 3.47Å; D202-Q206 PolarHBondContact O-N 3.44Å; D202-Q206 VanDerWaalsContact O-N 3.13Å |
| 203 | T | 81.8 | Confident | 81.4 | Confident | 69 Ų | 69 | 109.5 Ų | 109.5 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -40.4 | 168.8 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | I199 P200 K205 Q206 L207 | I199-T203 HydrophobicContact CG2-CG2 3.95Å; P200-T203 WeakPolarHBondContact O-CB 3.4Å; P200-T203 PolarHBondContact O-N 2.87Å; T203-K205 PolarHBondContact O-N 2.94Å; T203-Q206 PolarHBondContact O-N 3.01Å; T203-L207 WeakPolarHBondContact O-CG 3.36Å; T203-L207 PolarHBondContact O-N 3.03Å; T203-L207 VanDerWaalsContact O-N 3.1Å |
| 204 | L | 80.9 | Confident | 80.8 | Confident | 31 Ų | 31 | 112.6 Ų | 112.6 | 16% | 0.162 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -61.1 | -44.5 | 176.8 | -163.2 | 81.7 | 0 | 0 | 0 | 111.9 | K196 I199 P200 N201 Q206 L207 H208 | K196-L204 HydrophobicContact CG-CD1 4.13Å; I199-L204 HydrophobicContact CB-CD1 4.48Å; I199-L204 HydrophobicContact CG2-CB 4.29Å; I199-L204 HydrophobicContact CG2-CD1 4.35Å; P200-L204 PolarHBondContact O-N 2.91Å; N201-L204 WeakPolarHBondContact O-CB 3.22Å; N201-L204 PolarHBondContact O-N 3.01Å; L204-Q206 PolarHBondContact O-N 3.48Å; L204-L207 PolarHBondContact O-N 3.19Å; L204-H208 PolarHBondContact O-N 3.23Å |
| 205 | K | 79.8 | Confident | 80.1 | Confident | 117 Ų | 117 | 113.8 Ų | 113.8 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.8 | -46 | 174.2 | -69.5 | 165.4 | -162.3 | 163.1 | 0 | 111.5 | N201 D202 T203 L207 H208 L209 | N201-K205 VanDerWaalsContact O-CG 3.27Å; N201-K205 WeakPolarHBondContact O-CG 3.29Å; N201-K205 PolarHBondContact O-N 3.26Å; D202-K205 IonicContact OD1-NZ 2.74Å; D202-K205 PolarHBondContact OD1-NZ 2.82Å; T203-K205 PolarHBondContact O-N 2.94Å; K205-L207 PolarHBondContact O-N 3.14Å; K205-H208 PolarHBondContact O-N 3.22Å; K205-H208 VanDerWaalsContact O-N 3.16Å; K205-L209 WeakPolarHBondContact O-CD1 3.17Å; K205-L209 PolarHBondContact O-N 3.23Å; K205-L209 VanDerWaalsContact O-N 3.08Å |
| 206 | Q | 79.1 | Confident | 79.4 | Confident | 129 Ų | 129 | 114.9 Ų | 114.9 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.3 | -30.5 | 178.5 | -72.1 | -179.4 | 22.4 | 0 | 0 | 113.4 | D202 T203 L204 | D202-Q206 WeakPolarHBondContact O-CG 3.47Å; D202-Q206 PolarHBondContact O-N 3.44Å; D202-Q206 VanDerWaalsContact O-N 3.13Å; T203-Q206 PolarHBondContact O-N 3.01Å; L204-Q206 PolarHBondContact O-N 3.48Å |
| 207 | L | 78.2 | Confident | 78.7 | Confident | 83 Ų | 83 | 115.4 Ų | 115.4 | 44% | 0.435 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -73.5 | -41.8 | 173.2 | -67.5 | 171.5 | 0 | 0 | 0 | 111.7 | T203 L204 K205 L209 K210 | T203-L207 WeakPolarHBondContact O-CG 3.36Å; T203-L207 PolarHBondContact O-N 3.03Å; T203-L207 VanDerWaalsContact O-N 3.1Å; L204-L207 PolarHBondContact O-N 3.19Å; K205-L207 PolarHBondContact O-N 3.14Å; L207-L209 PolarHBondContact O-N 2.8Å; L207-K210 PolarHBondContact O-N 3.34Å; L207-K210 VanDerWaalsContact O-N 3.08Å |
| 208 | H | 76.6 | Confident | 78.1 | Confident | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -21.2 | 176 | -71.9 | 174.9 | 0 | 0 | 0 | 114.2 | L204 K205 K210 | L204-H208 PolarHBondContact O-N 3.23Å; K205-H208 PolarHBondContact O-N 3.22Å; K205-H208 VanDerWaalsContact O-N 3.16Å; H208-K210 VanDerWaalsContact C-N 3.32Å |
| 209 | L | 74.6 | Confident | 77.3 | Confident | 148 Ų | 148 | 110.8 Ų | 110.8 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -0.1 | 172 | -88.8 | 90.9 | 0 | 0 | 0 | 114 | K205 L207 | K205-L209 WeakPolarHBondContact O-CD1 3.17Å; K205-L209 PolarHBondContact O-N 3.23Å; K205-L209 VanDerWaalsContact O-N 3.08Å; L207-L209 PolarHBondContact O-N 2.8Å |
| 210 | K | 66.6 | Low | 76.4 | Confident | 175 Ų | 175 | 115.8 Ų | 115.8 | 76% | 0.761 | 59% | 0.59 | S | S | * | * | trans | -117.4 | -0.1 | -174.9 | -78.2 | -176.2 | 174 | -179.8 | 0 | 114.9 | L207 H208 | L207-K210 PolarHBondContact O-N 3.34Å; L207-K210 VanDerWaalsContact O-N 3.08Å; H208-K210 VanDerWaalsContact C-N 3.32Å | ||
| 211 | L | 53.4 | Low | 75.7 | Confident | 212 Ų | 212 | 118.3 Ų | 118.3 | 100% | 1.11 | 59% | 0.591 | S | S | * | * | trans | -111.1 | 0 | 168 | -79.3 | 99.7 | 0 | 0 | 0 | 110 |
Retrieved 211 of 211 residues in 38.1 ms
(Link to these results)