| 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 | 39.2 | Very low | 46.4 | Very low | 232 Ų | 232 | 159.7 Ų | 159.7 | 100% | 1.143 | 80% | 0.796 | S | S | * | * | 0 | 127.6 | 0 | -85.1 | 167.7 | 157.8 | 0 | 0 | 109.9 | |||||
| 2 | N | 43.8 | Very low | 46.9 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 71.3 | 91.8 | 150.3 | -55.9 | -30.7 | 0 | 0 | 0 | 121.6 | ||||
| 3 | F | 40.7 | Very low | 47.3 | Very low | 229 Ų | 229 | 152.7 Ų | 152.7 | 100% | 1.004 | 77% | 0.766 | S | S | * | * | trans | -140.7 | 33.5 | 146.3 | -88.5 | -76.6 | 0 | 0 | 0 | 112.7 | ||||
| 4 | G | 44.8 | Very low | 47.7 | Very low | 72 Ų | 72 | 151.5 Ų | 151.5 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | -99.7 | 4.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 5 | T | 50.9 | Low | 48 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -133.9 | 19.2 | -159.5 | 13 | 0 | 0 | 0 | 0 | 117.4 | ||
| 6 | R | 50.3 | Low | 48.2 | Very low | 233 Ų | 233 | 144.8 Ų | 144.8 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -106.3 | -7.5 | 178 | -73.4 | -168.9 | -172.1 | -166.8 | 3.6 | 116.9 | ||
| 7 | I | 45.6 | Very low | 48.3 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -90.9 | -20.2 | -178.9 | -58.1 | -172.3 | 0 | 0 | 0 | 112.5 | ||
| 8 | S | 48.9 | Very low | 48.7 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 58% | 0.58 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -73.9 | -35.6 | -176.7 | -152.9 | 0 | 0 | 0 | 0 | 113.7 | R10 R11 | S8-R10 PolarHBondContact O-N 2.83Å; S8-R11 PolarHBondContact O-N 3.19Å |
| 9 | S | 46.1 | Very low | 48.7 | Very low | 89 Ų | 89 | 142 Ų | 142 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -72.7 | -21.3 | -175.9 | -60.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 10 | R | 50.7 | Low | 49 | Very low | 216 Ų | 216 | 140.9 Ų | 140.9 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80 | -24.5 | 176.4 | -74.8 | -171.7 | 178.9 | -163.2 | -0.1 | 113.2 | S8 | S8-R10 PolarHBondContact O-N 2.83Å |
| 11 | R | 49.7 | Very low | 49.1 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -77.7 | -37 | 178.1 | -110.6 | -179 | -170.4 | 178.5 | 3.8 | 112.6 | S8 Q15 | S8-R11 PolarHBondContact O-N 3.19Å; R11-Q15 PolarHBondContact O-N 3.18Å |
| 12 | L | 52.1 | Low | 49.6 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.9 | -30.9 | 178.4 | -72.7 | 165.6 | 0 | 0 | 0 | 112.6 | A16 | L12-A16 PolarHBondContact O-N 3.28Å |
| 13 | N | 52.1 | Low | 49.9 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 56% | 0.561 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -74.2 | -36.7 | -179.2 | -147.1 | -81.8 | 0 | 0 | 0 | 112.6 | Q15 A16 Q17 | N13-Q15 VanDerWaalsContact C-N 3.33Å; N13-Q15 PolarHBondContact O-N 3.06Å; N13-A16 PolarHBondContact O-N 3.18Å; N13-Q17 PolarHBondContact O-N 3.29Å |
| 14 | L | 52.8 | Low | 50.2 | Low | 136 Ų | 136 | 132.7 Ų | 132.7 | 71% | 0.712 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.8 | -30 | 176 | -118.7 | 72.2 | 0 | 0 | 0 | 113.1 | T18 | L14-T18 PolarHBondContact O-N 3.31Å; L14-T18 PolarHBondContact O-OG1 3.47Å |
| 15 | Q | 52.4 | Low | 50.2 | Low | 141 Ų | 141 | 134.6 Ų | 134.6 | 66% | 0.659 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.3 | -31.5 | -179.9 | -150.1 | 147.8 | -19.5 | 0 | 0 | 111.9 | R11 N13 T18 | R11-Q15 PolarHBondContact O-N 3.18Å; N13-Q15 VanDerWaalsContact C-N 3.33Å; N13-Q15 PolarHBondContact O-N 3.06Å; Q15-T18 PolarHBondContact O-OG1 2.95Å |
| 16 | A | 51.5 | Low | 49.8 | Very low | 54 Ų | 54 | 134.4 Ų | 134.4 | 45% | 0.446 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.9 | -39.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 N13 T18 Y19 L20 | L12-A16 PolarHBondContact O-N 3.28Å; N13-A16 PolarHBondContact O-N 3.18Å; A16-T18 PolarHBondContact O-N 2.77Å; A16-Y19 PolarHBondContact O-N 3.24Å; A16-L20 PolarHBondContact O-N 3.09Å |
| 17 | Q | 49 | Very low | 49.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.5 | -36.1 | 179.6 | -134.7 | 72 | 31.1 | 0 | 0 | 112.7 | N13 Y19 | N13-Q17 PolarHBondContact O-N 3.29Å; Q17-Y19 VanDerWaalsContact C-N 3.26Å; Q17-Y19 PolarHBondContact O-N 3.02Å |
| 18 | T | 55.7 | Low | 49.2 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 56% | 0.564 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.3 | -19.1 | 175.5 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | L14 Q15 A16 | L14-T18 PolarHBondContact O-N 3.31Å; L14-T18 PolarHBondContact O-OG1 3.47Å; Q15-T18 PolarHBondContact O-OG1 2.95Å; A16-T18 PolarHBondContact O-N 2.77Å |
| 19 | Y | 49.7 | Very low | 48.9 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 65% | 0.651 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.3 | -33 | -178.6 | -152.1 | -95.3 | 0 | 0 | 0 | 112 | A16 Q17 R22 L23 | A16-Y19 PolarHBondContact O-N 3.24Å; Q17-Y19 VanDerWaalsContact C-N 3.26Å; Q17-Y19 PolarHBondContact O-N 3.02Å; Y19-R22 PolarHBondContact O-N 3.03Å; Y19-L23 HydrophobicContact CD1-CD1 4.39Å; Y19-L23 HydrophobicContact CE1-CD1 4.49Å |
| 20 | L | 55 | Low | 48.4 | Very low | 119 Ų | 119 | 140 Ų | 140 | 62% | 0.623 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.2 | -31.7 | 176.3 | -72 | 173.1 | 0 | 0 | 0 | 113.1 | A16 R22 L23 | A16-L20 PolarHBondContact O-N 3.09Å; L20-R22 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.34Å |
| 21 | D | 50.8 | Low | 47.8 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -21.7 | 173.8 | -105.1 | -5.6 | 0 | 0 | 0 | 113.1 | ||
| 22 | R | 49.8 | Very low | 47.5 | Very low | 210 Ų | 210 | 133.3 Ų | 133.3 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -14.8 | 178.2 | -124.1 | 178.2 | -146.9 | -113.8 | 1.9 | 114.1 | Y19 L20 | Y19-R22 PolarHBondContact O-N 3.03Å; L20-R22 PolarHBondContact O-N 3.38Å |
| 23 | L | 48.5 | Very low | 46.8 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -10.6 | 177.4 | -71 | 169.1 | 0 | 0 | 0 | 113 | Y19 L20 | Y19-L23 HydrophobicContact CD1-CD1 4.39Å; Y19-L23 HydrophobicContact CE1-CD1 4.49Å; L20-L23 PolarHBondContact O-N 3.34Å |
| 24 | S | 47.7 | Very low | 46.4 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -91.8 | -2 | -179.3 | -156.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 25 | C | 44.1 | Very low | 45.7 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | trans | -129.8 | 64.3 | 178.1 | -94.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 26 | V | 43.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -95.1 | 110.6 | 159.3 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | A28 | V26-A28 PolarHBondContact O-N 3.46Š| ||
| 27 | P | 42.9 | Very low | 44.8 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 116.8 | 169.4 | 26.4 | -28.6 | 0 | 0 | 0 | 108.7 | K29 | P27-K29 PolarHBondContact O-N 3.17Š|
| 28 | A | 40.6 | Very low | 44.5 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 126.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V26 R30 | V26-A28 PolarHBondContact O-N 3.46Å; A28-R30 PolarHBondContact O-N 3.02Å |
| 29 | K | 43.1 | Very low | 43.4 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61 | 121.5 | 166.9 | -65.1 | -177.6 | 177.3 | -178.2 | 0 | 108.5 | P27 | P27-K29 PolarHBondContact O-N 3.17Š|
| 30 | R | 34.9 | Very low | 42.7 | Very low | 249 Ų | 249 | 147 Ų | 147 | 94% | 0.94 | 78% | 0.776 | S | S | * | * | trans | -110.7 | 123.8 | 163.8 | -159.2 | 169 | -166.2 | 155.9 | 3.8 | 109.5 | A28 | A28-R30 PolarHBondContact O-N 3.02Š| ||
| 31 | A | 38.8 | Very low | 41.7 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -66.9 | 159 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 32 | H | 41.9 | Very low | 40.9 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | trans | -28 | 136.9 | 167.4 | -91.6 | -104 | 0 | 0 | 0 | 116.9 | ||||
| 33 | R | 37.9 | Very low | 40.7 | Very low | 240 Ų | 240 | 144.6 Ų | 144.6 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | -150.6 | 115.8 | 128.1 | -103.7 | -175.9 | -171 | -158.8 | 1.4 | 109 | |||||
| 34 | G | 44.2 | Very low | 40.1 | Very low | 65 Ų | 65 | 149 Ų | 149 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | -69.6 | 140.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 35 | H | 37.7 | Very low | 40 | Very low | 169 Ų | 169 | 152.6 Ų | 152.6 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -140.3 | 103.2 | 156.9 | -92.7 | 99.3 | 0 | 0 | 0 | 106.9 | M37 | H35-M37 PolarHBondContact O-N 3.41Š| ||
| 36 | T | 48.7 | Very low | 39.5 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -65.8 | 112.2 | 163.3 | 37.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 37 | M | 37.3 | Very low | 39 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -98.3 | 103.7 | 168.9 | -74.9 | -66.2 | -68.7 | 0 | 0 | 108.8 | H35 C39 | H35-M37 PolarHBondContact O-N 3.41Å; M37-C39 PolarHBondContact O-N 2.9Å | ||
| 38 | H | 41.8 | Very low | 39.3 | Very low | 166 Ų | 166 | 153 Ų | 153 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -67.8 | 114 | 166 | -160.6 | -87.9 | 0 | 0 | 0 | 107.9 | ||||
| 39 | C | 31.7 | Very low | 39.3 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -97 | 98.2 | 176.5 | -75.8 | 0 | 0 | 0 | 0 | 109.8 | M37 | M37-C39 PolarHBondContact O-N 2.9Š| ||
| 40 | Q | 35.5 | Very low | 39.1 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 127.3 | 160.4 | -104.6 | 171.7 | -13.2 | 0 | 0 | 109.1 | E42 | Q40-E42 PolarHBondContact O-N 3.22Š| ||
| 41 | A | 33.4 | Very low | 40 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -87.1 | 95.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 42 | E | 35.3 | Very low | 40 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | trans | -92.4 | 116.4 | 165.1 | -87.6 | -95 | 129.1 | 0 | 0 | 108.8 | Q40 R44 | Q40-E42 PolarHBondContact O-N 3.22Å; E42-R44 PolarHBondContact O-N 3.01Å; E42-R44 IonicContact OE2-CZ 3.72Å; E42-R44 IonicContact OE2-NH1 2.99Å; E42-R44 PolarHBondContact OE2-NH1 3.34Å; E42-R44 IonicContact OE2-NH2 3.85Å | ||
| 43 | L | 44.7 | Very low | 40.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -66.4 | 105.2 | 170.3 | -79 | 156.4 | 0 | 0 | 0 | 109.3 | ||||
| 44 | R | 36.9 | Very low | 40.4 | Very low | 209 Ų | 209 | 141.1 Ų | 141.1 | 79% | 0.789 | 81% | 0.809 | S | S | * | * | trans | -121.7 | 106.9 | 161.7 | -74.3 | -148.5 | 161.5 | 71.3 | 6.6 | 111.1 | E42 | E42-R44 PolarHBondContact O-N 3.01Å; E42-R44 IonicContact OE2-CZ 3.72Å; E42-R44 IonicContact OE2-NH1 2.99Å; E42-R44 PolarHBondContact OE2-NH1 3.34Å; E42-R44 IonicContact OE2-NH2 3.85Å | ||
| 45 | L | 44.2 | Very low | 40.4 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -69.8 | 124.1 | 160.5 | -73.2 | 158.1 | 0 | 0 | 0 | 108.7 | ||||
| 46 | S | 34.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -166.9 | 125.6 | 144.7 | -141.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 47 | S | 32.2 | Very low | 41.4 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 64.1 | 134.6 | 147.1 | -145.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 48 | P | 49.2 | Very low | 42 | Very low | 128 Ų | 128 | 155.7 Ų | 155.7 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -91.1 | 129.4 | -178.2 | 35.9 | -28.6 | 0 | 0 | 0 | 111.3 | ||||
| 49 | G | 41.3 | Very low | 42.6 | Very low | 69 Ų | 69 | 155.4 Ų | 155.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 147.4 | 93.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 50 | Q | 39.3 | Very low | 43.8 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | 167.2 | 125.6 | 123.6 | -90.2 | 177.3 | 22.9 | 0 | 0 | 109.7 | K52 | Q50-K52 PolarHBondContact O-N 3.07Å; Q50-K52 VanDerWaalsContact O-N 3.11Å | |||
| 51 | L | 53.5 | Low | 44.8 | Very low | 176 Ų | 176 | 155.3 Ų | 155.3 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -51.6 | 111.1 | 168.1 | -71.7 | 118.8 | 0 | 0 | 0 | 110.8 | ||||
| 52 | K | 39.1 | Very low | 47 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -134.3 | 101.8 | 144.5 | -79.9 | -176.1 | 178.6 | 161.1 | 0 | 107.8 | Q50 A54 | Q50-K52 PolarHBondContact O-N 3.07Å; Q50-K52 VanDerWaalsContact O-N 3.11Å; K52-A54 PolarHBondContact O-N 3.43Å | ||
| 53 | A | 44.4 | Very low | 48.7 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 94% | 0.942 | 78% | 0.784 | S | S | * | * | trans | -57.2 | 84.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 54 | A | 42.8 | Very low | 50 | Low | 86 Ų | 86 | 152.3 Ų | 152.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -83.2 | 133.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K52 | K52-A54 PolarHBondContact O-N 3.43Š| ||
| 55 | R | 45 | Very low | 51.8 | Low | 191 Ų | 191 | 145.1 Ų | 145.1 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | 67.5 | 72.3 | 158.5 | -100.7 | 171.2 | 174.6 | -132.2 | 4.3 | 116.1 | R57 | R55-R57 HydrophobicContact CG-CG 4.32Å; R55-R57 PolarHBondContact O-N 2.87Å | ||
| 56 | R | 55 | Low | 53.2 | Low | 258 Ų | 258 | 141.3 Ų | 141.3 | 97% | 0.974 | 73% | 0.729 | S | S | * | * | trans | -70.4 | 77.7 | 142.7 | -67.6 | -161.8 | -173.7 | -159.9 | 4 | 109.1 | ||||
| 57 | R | 53.5 | Low | 54.7 | Low | 173 Ų | 173 | 141.8 Ų | 141.8 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | trans | -125.1 | 106.2 | 166.6 | -71.3 | -165 | -151.7 | 166.2 | 5.3 | 108.1 | R55 | R55-R57 HydrophobicContact CG-CG 4.32Å; R55-R57 PolarHBondContact O-N 2.87Å | ||
| 58 | Y | 49.1 | Very low | 56.9 | Low | 218 Ų | 218 | 138 Ų | 138 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | trans | 55 | 76 | 174 | -54 | -79.3 | 0 | 0 | 0 | 114.3 | T60 | Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.4Å | ||
| 59 | K | 53.8 | Low | 57.7 | Low | 160 Ų | 160 | 142 Ų | 142 | 70% | 0.696 | 69% | 0.693 | S | S | * | * | trans | -65.3 | 97.4 | 159.5 | -165.5 | 167.3 | 171.8 | 93 | 0 | 105.9 | F61 E65 | K59-F61 PolarHBondContact O-N 3.16Å; K59-E65 WeakPolarHBondContact CE-OE1 3.45Å; K59-E65 VanDerWaalsContact CE-OE2 3.3Å; K59-E65 WeakPolarHBondContact CE-OE2 3.45Å; K59-E65 WeakPolarHBondContact CG-OE2 3.26Å; K59-E65 IonicContact NZ-OE1 2.89Å; K59-E65 PolarHBondContact NZ-OE1 3.08Å; K59-E65 IonicContact NZ-OE2 3.61Å | ||
| 60 | T | 56.5 | Low | 59.3 | Low | 102 Ų | 102 | 146.5 Ų | 146.5 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | trans | -49.1 | 124.6 | 171.3 | -12 | 0 | 0 | 0 | 0 | 106.3 | Y58 M62 | Y58-T60 VanDerWaalsContact C-N 3.29Å; Y58-T60 PolarHBondContact O-N 3.4Å; T60-M62 PolarHBondContact O-N 2.94Å | ||
| 61 | F | 57.2 | Low | 60.8 | Low | 184 Ų | 184 | 140.1 Ų | 140.1 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | trans | -65.8 | 76.2 | 170.6 | -84.2 | -93.9 | 0 | 0 | 0 | 107.8 | K59 I63 I66 | K59-F61 PolarHBondContact O-N 3.16Å; F61-I63 PolarHBondContact O-N 3.47Å; F61-I66 HydrophobicContact CB-CD1 4.37Å; F61-I66 HydrophobicContact CD1-CD1 3.68Å; F61-I66 HydrophobicContact CD1-CG1 4.22Å | ||
| 62 | M | 78.9 | Confident | 61.4 | Low | 104 Ų | 104 | 135.2 Ų | 135.2 | 51% | 0.512 | 65% | 0.65 | S | S | . | * | trans | -72.5 | 123.6 | 169.3 | -62.9 | -160.6 | -69.1 | 0 | 0 | 105.3 | T60 D64 E65 I66 | T60-M62 PolarHBondContact O-N 2.94Å; M62-D64 PolarHBondContact O-N 3.13Å; M62-D64 VanDerWaalsContact O-N 3.12Å; M62-E65 HydrophobicContact CB-CB 4.24Å; M62-E65 WeakPolarHBondContact O-CB 3.44Å; M62-E65 PolarHBondContact O-N 3.41Å; M62-I66 PolarHBondContact O-N 2.91Å | ||
| 63 | I | 72.3 | Confident | 62.7 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 61% | 0.605 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -54 | -34.8 | 178.5 | -64.2 | 168.9 | 0 | 0 | 0 | 109.1 | F61 E65 I66 L67 | F61-I63 PolarHBondContact O-N 3.47Å; I63-E65 VanDerWaalsContact C-N 3.26Å; I63-E65 PolarHBondContact O-N 2.89Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-L67 HydrophobicContact CG2-CD1 3.61Å; I63-L67 HydrophobicContact CG2-CG 4.1Å; I63-L67 WeakPolarHBondContact O-CB 3.37Å; I63-L67 VanDerWaalsContact O-CG 3.3Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.19Å |
| 64 | D | 71.9 | Confident | 64.1 | Low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.7 | -27.3 | 176.8 | -53.2 | -40 | 0 | 0 | 0 | 113.6 | M62 S68 | M62-D64 PolarHBondContact O-N 3.13Å; M62-D64 VanDerWaalsContact O-N 3.12Å; D64-S68 WeakPolarHBondContact O-CA 3.46Å; D64-S68 WeakPolarHBondContact O-CB 3.13Å; D64-S68 PolarHBondContact O-N 3.17Å |
| 65 | E | 73.8 | Confident | 65 | Low | 58 Ų | 58 | 136.1 Ų | 136.1 | 27% | 0.271 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -81.8 | -33.3 | 177.1 | -166.7 | 171.2 | -142.9 | 0 | 0 | 111.9 | K59 M62 I63 S68 T71 | K59-E65 WeakPolarHBondContact CE-OE1 3.45Å; K59-E65 VanDerWaalsContact CE-OE2 3.3Å; K59-E65 WeakPolarHBondContact CE-OE2 3.45Å; K59-E65 WeakPolarHBondContact CG-OE2 3.26Å; K59-E65 IonicContact NZ-OE1 2.89Å; K59-E65 PolarHBondContact NZ-OE1 3.08Å; K59-E65 IonicContact NZ-OE2 3.61Å; M62-E65 HydrophobicContact CB-CB 4.24Å; M62-E65 WeakPolarHBondContact O-CB 3.44Å; M62-E65 PolarHBondContact O-N 3.41Å; I63-E65 VanDerWaalsContact C-N 3.26Å; I63-E65 PolarHBondContact O-N 2.89Å; E65-S68 WeakPolarHBondContact O-CB 3.43Å; E65-S68 PolarHBondContact O-N 2.93Å; E65-S68 PolarHBondContact O-OG 3.39Å; E65-T71 VanDerWaalsContact O-CG2 3.22Å; E65-T71 WeakPolarHBondContact O-CG2 3.1Å; E65-T71 PolarHBondContact O-OG1 3.49Å |
| 66 | I | 74 | Confident | 65.9 | Low | 94 Ų | 94 | 132.9 Ų | 132.9 | 48% | 0.482 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75 | -30.1 | 175 | -53.3 | 167.5 | 0 | 0 | 0 | 111.3 | F61 M62 I63 T71 | F61-I66 HydrophobicContact CB-CD1 4.37Å; F61-I66 HydrophobicContact CD1-CD1 3.68Å; F61-I66 HydrophobicContact CD1-CG1 4.22Å; M62-I66 PolarHBondContact O-N 2.91Å; I63-I66 PolarHBondContact O-N 2.98Å; I66-T71 PolarHBondContact O-OG1 3.39Å |
| 67 | L | 66.8 | Low | 66.1 | Low | 129 Ų | 129 | 128.4 Ų | 128.4 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -95.4 | 5.5 | 175.3 | -59.2 | -178.8 | 0 | 0 | 0 | 112 | I63 | I63-L67 HydrophobicContact CG2-CD1 3.61Å; I63-L67 HydrophobicContact CG2-CG 4.1Å; I63-L67 WeakPolarHBondContact O-CB 3.37Å; I63-L67 VanDerWaalsContact O-CG 3.3Å; I63-L67 WeakPolarHBondContact O-CG 3.43Å; I63-L67 PolarHBondContact O-N 3.19Å |
| 68 | S | 77.8 | Confident | 66.6 | Low | 29 Ų | 29 | 124.4 Ų | 124.4 | 20% | 0.203 | 59% | 0.589 | C | S | . | * | S | Bend | trans | -65.5 | 143.7 | 177.9 | 70.5 | 0 | 0 | 0 | 0 | 109.9 | D64 E65 E70 T71 C72 | D64-S68 WeakPolarHBondContact O-CA 3.46Å; D64-S68 WeakPolarHBondContact O-CB 3.13Å; D64-S68 PolarHBondContact O-N 3.17Å; E65-S68 WeakPolarHBondContact O-CB 3.43Å; E65-S68 PolarHBondContact O-N 2.93Å; E65-S68 PolarHBondContact O-OG 3.39Å; S68-E70 PolarHBondContact O-N 2.77Å; S68-T71 PolarHBondContact N-OG1 3.48Å; S68-T71 PolarHBondContact O-N 2.73Å; S68-T71 PolarHBondContact O-OG1 3.47Å; S68-T71 WeakPolarHBondContact OG-CG2 3.3Å; S68-T71 PolarHBondContact OG-N 3.4Å; S68-T71 PolarHBondContact OG-OG1 3.07Å; S68-T71 VanDerWaalsContact OG-OG1 3.05Å; S68-C72 PolarHBondContact O-N 2.9Å |
| 69 | R | 66.4 | Low | 66.9 | Low | 212 Ų | 212 | 117.9 Ų | 117.9 | 80% | 0.8 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -53.3 | -39.3 | 177.9 | -82.3 | 179.6 | 177.2 | -111.7 | 3.1 | 111.9 | T71 C72 D73 | R69-T71 VanDerWaalsContact C-N 3.34Å; R69-T71 PolarHBondContact O-N 3.38Å; R69-C72 WeakPolarHBondContact O-CB 3.39Å; R69-C72 PolarHBondContact O-N 3.48Å; R69-D73 WeakPolarHBondContact O-CB 3.33Å; R69-D73 PolarHBondContact O-N 3.11Å |
| 70 | E | 74.2 | Confident | 66.9 | Low | 163 Ų | 163 | 116.7 Ų | 116.7 | 76% | 0.762 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.4 | -40.4 | 178.3 | -64.3 | 174.4 | -179.4 | 0 | 0 | 112.8 | S68 Y74 | S68-E70 PolarHBondContact O-N 2.77Å; E70-Y74 WeakPolarHBondContact O-CB 3.5Å; E70-Y74 PolarHBondContact O-N 3.49Å; E70-Y74 VanDerWaalsContact O-N 3.09Å |
| 71 | T | 70.8 | Confident | 66.8 | Low | 54 Ų | 54 | 122.3 Ų | 122.3 | 33% | 0.331 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -75.5 | -33.2 | 175.5 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | E65 I66 S68 R69 F75 | E65-T71 VanDerWaalsContact O-CG2 3.22Å; E65-T71 WeakPolarHBondContact O-CG2 3.1Å; E65-T71 PolarHBondContact O-OG1 3.49Å; I66-T71 PolarHBondContact O-OG1 3.39Å; S68-T71 PolarHBondContact N-OG1 3.48Å; S68-T71 PolarHBondContact O-N 2.73Å; S68-T71 PolarHBondContact O-OG1 3.47Å; S68-T71 WeakPolarHBondContact OG-CG2 3.3Å; S68-T71 PolarHBondContact OG-N 3.4Å; S68-T71 PolarHBondContact OG-OG1 3.07Å; S68-T71 VanDerWaalsContact OG-OG1 3.05Å; R69-T71 VanDerWaalsContact C-N 3.34Å; R69-T71 PolarHBondContact O-N 3.38Å; T71-F75 PolarHBondContact O-N 2.9Å; T71-F75 VanDerWaalsContact O-N 3.15Å |
| 72 | C | 66 | Low | 66.2 | Low | 74 Ų | 74 | 117.4 Ų | 117.4 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65 | -48.8 | 174.4 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | S68 R69 Y74 F75 E76 | S68-C72 PolarHBondContact O-N 2.9Å; R69-C72 WeakPolarHBondContact O-CB 3.39Å; R69-C72 PolarHBondContact O-N 3.48Å; C72-Y74 VanDerWaalsContact C-N 3.3Å; C72-Y74 PolarHBondContact O-N 2.9Å; C72-F75 PolarHBondContact O-N 2.96Å; C72-F75 VanDerWaalsContact O-N 3.15Å; C72-E76 PolarHBondContact O-N 3.49Å |
| 73 | D | 67.6 | Low | 64.8 | Low | 89 Ų | 89 | 119.1 Ų | 119.1 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.1 | -35.8 | 179.2 | -64.5 | -12.7 | 0 | 0 | 0 | 111.1 | R69 E76 K77 | R69-D73 WeakPolarHBondContact O-CB 3.33Å; R69-D73 PolarHBondContact O-N 3.11Å; D73-E76 PolarHBondContact O-N 3.22Å; D73-K77 WeakPolarHBondContact O-CB 3.36Å; D73-K77 PolarHBondContact O-N 3.08Å |
| 74 | Y | 72.2 | Confident | 63.5 | Low | 159 Ų | 159 | 119.5 Ų | 119.5 | 62% | 0.624 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.1 | -45.1 | 173.1 | -178.6 | -103.6 | 0 | 0 | 0 | 112 | E70 C72 K77 L78 | E70-Y74 WeakPolarHBondContact O-CB 3.5Å; E70-Y74 PolarHBondContact O-N 3.49Å; E70-Y74 VanDerWaalsContact O-N 3.09Å; C72-Y74 VanDerWaalsContact C-N 3.3Å; C72-Y74 PolarHBondContact O-N 2.9Å; Y74-K77 PolarHBondContact O-N 3.14Å; Y74-L78 HydrophobicContact CD1-CD1 3.69Å; Y74-L78 HydrophobicContact CD2-CD1 4.09Å; Y74-L78 HydrophobicContact CE1-CD1 3.32Å; Y74-L78 HydrophobicContact CE2-CD1 3.74Å; Y74-L78 HydrophobicContact CG-CD1 4.06Å; Y74-L78 WeakPolarHBondContact O-CD1 3.3Å; Y74-L78 PolarHBondContact O-N 2.88Å |
| 75 | F | 62.6 | Low | 62.5 | Low | 158 Ų | 158 | 118.8 Ų | 118.8 | 69% | 0.693 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.7 | -34.7 | 179.4 | -136.8 | -91.7 | 0 | 0 | 0 | 112.3 | T71 C72 L78 S79 | T71-F75 PolarHBondContact O-N 2.9Å; T71-F75 VanDerWaalsContact O-N 3.15Å; C72-F75 PolarHBondContact O-N 2.96Å; C72-F75 VanDerWaalsContact O-N 3.15Å; F75-L78 PolarHBondContact O-N 2.94Å; F75-S79 PolarHBondContact O-N 3.18Å |
| 76 | E | 64.5 | Low | 61.1 | Low | 123 Ų | 123 | 120.1 Ų | 120.1 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 174.7 | -137.4 | 176.8 | -162.3 | 0 | 0 | 111.6 | C72 D73 S79 L80 | C72-E76 PolarHBondContact O-N 3.49Å; D73-E76 PolarHBondContact O-N 3.22Å; E76-S79 WeakPolarHBondContact O-CB 3.22Å; E76-S79 PolarHBondContact O-N 3.12Å; E76-L80 PolarHBondContact O-N 3.04Å |
| 77 | K | 59.3 | Low | 59.7 | Low | 164 Ų | 164 | 124 Ų | 124 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.9 | -39.3 | 173.1 | -118.3 | 174.5 | 179.9 | 174.7 | 0 | 112.9 | D73 Y74 S79 L80 Y81 | D73-K77 WeakPolarHBondContact O-CB 3.36Å; D73-K77 PolarHBondContact O-N 3.08Å; Y74-K77 PolarHBondContact O-N 3.14Å; K77-S79 VanDerWaalsContact C-N 3.32Å; K77-L80 PolarHBondContact O-N 3.32Å; K77-Y81 PolarHBondContact O-N 3.39Å |
| 78 | L | 63.2 | Low | 59 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 47% | 0.471 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.7 | -36.8 | 172.8 | -96.4 | 103.1 | 0 | 0 | 0 | 112.1 | Y74 F75 L80 Y81 S82 | Y74-L78 HydrophobicContact CD1-CD1 3.69Å; Y74-L78 HydrophobicContact CD2-CD1 4.09Å; Y74-L78 HydrophobicContact CE1-CD1 3.32Å; Y74-L78 HydrophobicContact CE2-CD1 3.74Å; Y74-L78 HydrophobicContact CG-CD1 4.06Å; Y74-L78 WeakPolarHBondContact O-CD1 3.3Å; Y74-L78 PolarHBondContact O-N 2.88Å; F75-L78 PolarHBondContact O-N 2.94Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-Y81 PolarHBondContact O-N 3.33Å; L78-S82 PolarHBondContact O-N 2.94Å |
| 79 | S | 55.8 | Low | 57.3 | Low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.9 | -34.9 | 176.5 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | F75 E76 K77 S82 | F75-S79 PolarHBondContact O-N 3.18Å; E76-S79 WeakPolarHBondContact O-CB 3.22Å; E76-S79 PolarHBondContact O-N 3.12Å; K77-S79 VanDerWaalsContact C-N 3.32Å; S79-S82 PolarHBondContact O-N 3.08Å |
| 80 | L | 54.2 | Low | 56.4 | Low | 135 Ų | 135 | 129 Ų | 129 | 71% | 0.707 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74 | -29.3 | 178 | -73.6 | 169.4 | 0 | 0 | 0 | 113.1 | E76 K77 L78 S82 | E76-L80 PolarHBondContact O-N 3.04Å; K77-L80 PolarHBondContact O-N 3.32Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.29Å; L80-S82 PolarHBondContact O-N 2.63Å |
| 81 | Y | 53.3 | Low | 54.9 | Low | 219 Ų | 219 | 126.9 Ų | 126.9 | 86% | 0.859 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.1 | -12.4 | 175.9 | -163.9 | -103.4 | 0 | 0 | 0 | 113.4 | K77 L78 | K77-Y81 PolarHBondContact O-N 3.39Å; L78-Y81 PolarHBondContact O-N 3.33Å |
| 82 | S | 45.3 | Very low | 53.3 | Low | 81 Ų | 81 | 133.1 Ų | 133.1 | 57% | 0.566 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -11.4 | -179.5 | -174.4 | 0 | 0 | 0 | 0 | 114.2 | L78 S79 L80 | L78-S82 PolarHBondContact O-N 2.94Å; S79-S82 PolarHBondContact O-N 3.08Å; L80-S82 VanDerWaalsContact C-N 3.29Å; L80-S82 PolarHBondContact O-N 2.63Å |
| 83 | M | 48.8 | Very low | 52.7 | Low | 141 Ų | 141 | 135.3 Ų | 135.3 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -101 | 101 | 178 | -60.9 | -68.7 | 90.1 | 0 | 0 | 109.1 | P85 | M83-P85 WeakPolarHBondContact O-CD 3.26Š|
| 84 | C | 44.7 | Very low | 51.3 | Low | 126 Ų | 126 | 137.7 Ų | 137.7 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | trans | -55 | 121.8 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | S86 | C84-S86 PolarHBondContact O-N 3.21Š| ||
| 85 | P | 51.7 | Low | 49.9 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | -78.4 | 122.4 | 168.7 | 30.9 | -27.2 | 0 | 0 | 0 | 108.5 | M83 | M83-P85 WeakPolarHBondContact O-CD 3.26Š| ||
| 86 | S | 44.4 | Very low | 49.1 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | trans | 67.1 | 76.7 | 145 | -44.2 | 0 | 0 | 0 | 0 | 118.4 | C84 I88 | C84-S86 PolarHBondContact O-N 3.21Å; S86-I88 PolarHBondContact O-N 3.36Å | ||
| 87 | L | 45 | Very low | 47.7 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | trans | -87.1 | 72.7 | 135.5 | -67.3 | -177.9 | 0 | 0 | 0 | 108.2 | V89 | L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.27Å | ||
| 88 | I | 50.7 | Low | 47.3 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -74.1 | 93.1 | 166 | -66.3 | 171.1 | 0 | 0 | 0 | 106.1 | S86 R90 | S86-I88 PolarHBondContact O-N 3.36Å; I88-R90 PolarHBondContact O-N 2.78Å; I88-R90 VanDerWaalsContact O-N 3.17Å | ||
| 89 | V | 43.3 | Very low | 46 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -72.4 | 104 | 165.4 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | L87 P91 | L87-V89 VanDerWaalsContact C-N 3.31Å; L87-V89 PolarHBondContact O-N 3.27Å; V89-P91 WeakPolarHBondContact O-CD 3.45Å | ||
| 90 | R | 46.4 | Very low | 45.8 | Very low | 216 Ų | 216 | 136.1 Ų | 136.1 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -76.6 | 115.5 | 173.5 | -153.1 | 173.2 | -167 | 113.4 | -2 | 107.7 | I88 K92 | I88-R90 PolarHBondContact O-N 2.78Å; I88-R90 VanDerWaalsContact O-N 3.17Å; R90-K92 PolarHBondContact O-N 2.98Å | ||
| 91 | P | 42.8 | Very low | 45.4 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 115.5 | 172.4 | 27.7 | -28.5 | 0 | 0 | 0 | 108.6 | V89 | V89-P91 WeakPolarHBondContact O-CD 3.45Š| ||
| 92 | K | 38.4 | Very low | 44.9 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -75.2 | 128.6 | 163.5 | -87.2 | 171 | 171.3 | 165.7 | 0 | 107.9 | R90 L94 | R90-K92 PolarHBondContact O-N 2.98Å; K92-L94 PolarHBondContact O-N 2.75Å | ||
| 93 | P | 52.1 | Low | 45.3 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -81.9 | 110 | 167.3 | 31.4 | -25.5 | 0 | 0 | 0 | 107.5 | ||||
| 94 | L | 38.4 | Very low | 45 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -135 | 107.7 | 161.6 | -71.7 | 177.7 | 0 | 0 | 0 | 108.6 | K92 | K92-L94 PolarHBondContact O-N 2.75Š| ||
| 95 | H | 43.3 | Very low | 44.8 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | 34.5 | 117.7 | 137.4 | -63.5 | -82.3 | 0 | 0 | 0 | 119.3 | ||||
| 96 | S | 45.3 | Very low | 44.2 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 12.5 | 115.2 | 142.7 | -51.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 97 | C | 35.1 | Very low | 44.6 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | trans | -148.5 | 122.5 | 148.7 | -75.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 98 | S | 50.5 | Low | 44.8 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | trans | -66.2 | 137.7 | 166.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 99 | G | 37.4 | Very low | 44.6 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 175.1 | 118.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 100 | S | 50.1 | Low | 44.6 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -75.2 | 155.9 | -174.6 | -177.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 101 | S | 45.5 | Very low | 44.5 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 73.7 | 115.1 | 151.7 | -65.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 102 | S | 44.5 | Very low | 44.5 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 151.9 | 111 | 98.4 | -164.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 103 | L | 53.2 | Low | 44.8 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | 40.1 | 104.2 | 141.4 | -54.4 | 176.9 | 0 | 0 | 0 | 119.8 | ||||
| 104 | R | 42.8 | Very low | 44.3 | Very low | 208 Ų | 208 | 138.7 Ų | 138.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | -159.9 | 89.5 | 122.9 | -111.2 | -165.4 | -90.4 | 176.4 | -6.1 | 110.6 | Y106 | R104-Y106 HydrophobicContact CB-CE2 4.49Š| |||
| 105 | S | 40.4 | Very low | 44.4 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117 | 168.9 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 106 | Y | 38.9 | Very low | 44.3 | Very low | 171 Ų | 171 | 137 Ų | 137 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 137.7 | 161.3 | -74.9 | -83.9 | 0 | 0 | 0 | 108.1 | R104 L108 | R104-Y106 HydrophobicContact CB-CE2 4.49Å; Y106-L108 PolarHBondContact O-N 2.72Å |
| 107 | P | 52.8 | Low | 44.4 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 121.7 | -169.6 | 28.7 | -33.1 | 0 | 0 | 0 | 110.2 | L109 | P107-L109 PolarHBondContact O-N 3.38Š|
| 108 | L | 49.8 | Very low | 44.7 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -69.1 | 111.8 | 160.3 | -65.6 | -178.5 | 0 | 0 | 0 | 107.2 | Y106 S110 | Y106-L108 PolarHBondContact O-N 2.72Å; L108-S110 PolarHBondContact O-N 2.72Å | ||
| 109 | L | 45.4 | Very low | 44.2 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -57 | 101.6 | 164.7 | -80.8 | 142.3 | 0 | 0 | 0 | 108.2 | P107 V111 | P107-L109 PolarHBondContact O-N 3.38Å; L109-V111 PolarHBondContact O-N 3.26Å; L109-V111 VanDerWaalsContact O-N 3.17Å | ||
| 110 | S | 44.6 | Very low | 44.4 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 110 | 166.8 | 38 | 0 | 0 | 0 | 0 | 108.1 | L108 I112 | L108-S110 PolarHBondContact O-N 2.72Å; S110-I112 VanDerWaalsContact C-N 3.33Å; S110-I112 PolarHBondContact O-N 3.17Å | ||
| 111 | V | 43.2 | Very low | 44 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -65.5 | 98 | 168.1 | 172.8 | 0 | 0 | 0 | 0 | 107.1 | L109 T113 | L109-V111 PolarHBondContact O-N 3.26Å; L109-V111 VanDerWaalsContact O-N 3.17Å; V111-T113 VanDerWaalsContact C-N 3.26Å; V111-T113 PolarHBondContact O-N 3.17Å | ||
| 112 | I | 43.2 | Very low | 43.7 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -67.9 | 90.8 | 167.6 | -62.8 | 165 | 0 | 0 | 0 | 106.6 | S110 R114 | S110-I112 VanDerWaalsContact C-N 3.33Å; S110-I112 PolarHBondContact O-N 3.17Å; I112-R114 VanDerWaalsContact C-N 3.33Å; I112-R114 HydrophobicContact CG2-CG 4.13Å; I112-R114 PolarHBondContact O-N 2.96Å | ||
| 113 | T | 44.7 | Very low | 43.7 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 98.6 | 158.2 | 145.7 | 0 | 0 | 0 | 0 | 106.6 | V111 Q115 | V111-T113 VanDerWaalsContact C-N 3.26Å; V111-T113 PolarHBondContact O-N 3.17Å; T113-Q115 PolarHBondContact O-N 2.86Å | ||
| 114 | R | 41.7 | Very low | 43.4 | Very low | 230 Ų | 230 | 144.9 Ų | 144.9 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -65.2 | 102.9 | 166.9 | -83.8 | -163.1 | 151.4 | -123.4 | -4.5 | 108.2 | I112 | I112-R114 VanDerWaalsContact C-N 3.33Å; I112-R114 HydrophobicContact CG2-CG 4.13Å; I112-R114 PolarHBondContact O-N 2.96Å | ||
| 115 | Q | 39.3 | Very low | 43.4 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.8 | 156 | -80 | -146 | 42.2 | 0 | 0 | 109.3 | T113 | T113-Q115 PolarHBondContact O-N 2.86Š|
| 116 | P | 42.9 | Very low | 43.6 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 138.3 | 164.8 | 29.4 | -31.1 | 0 | 0 | 0 | 109.2 | N118 | P116-N118 PolarHBondContact O-N 3.44Š|
| 117 | P | 46.5 | Very low | 43.4 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 126.2 | 177.5 | 25.3 | -30.5 | 0 | 0 | 0 | 110.6 | V119 | P117-V119 PolarHBondContact O-N 3.1Š|
| 118 | N | 41.2 | Very low | 42.9 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -58 | 105.9 | 165.8 | -174.4 | -19.7 | 0 | 0 | 0 | 108.9 | P116 | P116-N118 PolarHBondContact O-N 3.44Š| ||
| 119 | V | 41.3 | Very low | 42.9 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -89.5 | 102.9 | 170 | -123.7 | 0 | 0 | 0 | 0 | 107.2 | P117 | P117-V119 PolarHBondContact O-N 3.1Š| ||
| 120 | Q | 40.6 | Very low | 42.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -72.5 | 133.1 | 165.5 | -67.6 | -132.6 | -27.7 | 0 | 0 | 109.7 | H122 | Q120-H122 PolarHBondContact O-N 3.4Š| ||
| 121 | P | 42 | Very low | 42.1 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -81.4 | 103.3 | 169.7 | 30.8 | -26.6 | 0 | 0 | 0 | 108.6 | ||||
| 122 | H | 39.8 | Very low | 41.8 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -91.4 | 119.2 | 165.3 | 61.9 | -84 | 0 | 0 | 0 | 108.9 | Q120 | Q120-H122 PolarHBondContact O-N 3.4Š| ||
| 123 | L | 44.3 | Very low | 41.7 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -72.9 | 147.9 | 169.5 | -166 | 73 | 0 | 0 | 0 | 109.4 | ||||
| 124 | P | 47 | Very low | 41.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -125.8 | 126.8 | 140.8 | 22.6 | -5.8 | 0 | 0 | 0 | 111.8 | ||||
| 125 | Q | 41.7 | Very low | 41.4 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -65.7 | 153.6 | 157.1 | -125.8 | 179.5 | -11.5 | 0 | 0 | 109.2 | ||||
| 126 | P | 45.9 | Very low | 41.6 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -148.3 | 155.9 | 99.5 | 35.8 | -17.8 | 0 | 0 | 0 | 116.6 | |||||
| 127 | S | 33.9 | Very low | 42.1 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 57.1 | 108.8 | 145.8 | 56 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 128 | S | 42.2 | Very low | 41.5 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -61.2 | 167.5 | 146.2 | -124.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 129 | P | 50.1 | Low | 41.4 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | -146.3 | 164.5 | 52.9 | 37.4 | -16.2 | 0 | 0 | 0 | 116.7 | |||||
| 130 | G | 34.6 | Very low | 41.3 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 175.5 | 98.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 131 | A | 37.9 | Very low | 41.8 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 151.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 132 | V | 37.8 | Very low | 41.3 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | -169.5 | 141 | 109.1 | -87 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 133 | S | 40.9 | Very low | 41.2 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -64.4 | 148.3 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 134 | S | 40.2 | Very low | 41.4 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -173.8 | 103.4 | 147.1 | -85.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 135 | H | 39.8 | Very low | 40.8 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | 36.3 | 130.5 | 141.2 | 73.8 | -85.2 | 0 | 0 | 0 | 123.6 | ||||
| 136 | L | 44 | Very low | 40.3 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -75.4 | 172.6 | 159.8 | -77.7 | 179.6 | 0 | 0 | 0 | 111.1 | ||||
| 137 | P | 52.4 | Low | 39.9 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | -151.7 | 162.5 | 37.4 | 41.8 | -18.9 | 0 | 0 | 0 | 121.3 | ||||
| 138 | L | 34 | Very low | 40.1 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 45.7 | 121.6 | 131.6 | -164.7 | 68.1 | 0 | 0 | 0 | 120.5 | ||||
| 139 | M | 40.3 | Very low | 40 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | -162.5 | 123.7 | 123.2 | -87.4 | -98.4 | 88.9 | 0 | 0 | 109.3 | |||||
| 140 | S | 38.1 | Very low | 39.4 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -96.1 | 165.5 | 167.8 | -154.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 141 | P | 50.3 | Low | 39.9 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | -146 | 141.1 | 81.2 | 27.1 | -4.5 | 0 | 0 | 0 | 117.3 | |||||
| 142 | Q | 31.7 | Very low | 39.9 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | 69.6 | 101.4 | 128.7 | -59.7 | -76.6 | -17.4 | 0 | 0 | 121.7 | |||||
| 143 | L | 37.5 | Very low | 39.9 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | 20.3 | 167.4 | 121 | -90 | 102.7 | 0 | 0 | 0 | 122.4 | R145 | L143-R145 HydrophobicContact CD2-CB 3.74Š| |||
| 144 | P | 49.2 | Very low | 40 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -129.4 | 153.2 | 11 | 24.9 | -0.9 | 0 | 0 | 0 | 114.4 | ||||
| 145 | R | 34.2 | Very low | 40.1 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | 68.6 | 120.4 | 61 | -166 | 170.4 | -162 | 178.3 | 4.9 | 115.4 | L143 | L143-R145 HydrophobicContact CD2-CB 3.74Š| |||
| 146 | G | 31.8 | Very low | 40.1 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | trans | 146 | 130.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 147 | S | 37.7 | Very low | 40.1 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | cis | 177.7 | 130.9 | -7.7 | 23.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 148 | E | 37 | Very low | 39.4 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -53 | 150.9 | 155.8 | -113.6 | -84.5 | 116.1 | 0 | 0 | 109.2 | S150 | E148-S150 VanDerWaalsContact CD-N 3.27Å; E148-S150 PolarHBondContact OE1-N 2.91Å; E148-S150 PolarHBondContact OE2-N 3.48Å | ||
| 149 | P | 41.8 | Very low | 40 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | -147.2 | 145.8 | 82.6 | 36 | -17.1 | 0 | 0 | 0 | 116.8 | |||||
| 150 | S | 36.6 | Very low | 40 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | trans | -51.5 | 148.7 | 149.2 | -171.1 | 0 | 0 | 0 | 0 | 112 | E148 | E148-S150 VanDerWaalsContact CD-N 3.27Å; E148-S150 PolarHBondContact OE1-N 2.91Å; E148-S150 PolarHBondContact OE2-N 3.48Å | ||
| 151 | P | 44.3 | Very low | 40.5 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | -140.8 | 147.4 | 110.1 | 33.7 | -18.9 | 0 | 0 | 0 | 114.8 | |||||
| 152 | S | 38.3 | Very low | 39.9 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -33 | 139.6 | 158.1 | -44.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 153 | Q | 39.1 | Very low | 40.9 | Very low | 191 Ų | 191 | 132.2 Ų | 132.2 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -163.8 | 111.1 | 141 | -106.9 | 166.2 | 87.1 | 0 | 0 | 111.2 | ||||
| 154 | T | 42.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -67 | 148.2 | 152 | 28.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 155 | P | 42.2 | Very low | 40.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | trans | -129 | 142.8 | 134.9 | 29.2 | -15.1 | 0 | 0 | 0 | 112.4 | ||||
| 156 | L | 40.1 | Very low | 40.9 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -69.5 | 150.5 | 173.7 | -67.6 | 161 | 0 | 0 | 0 | 111.4 | ||||
| 157 | S | 44.2 | Very low | 41.5 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 23.4 | 113.9 | 150.8 | -62.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 158 | I | 37.2 | Very low | 41.7 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -129.3 | 112.7 | 138 | -78.7 | 177.8 | 0 | 0 | 0 | 107.8 | ||||
| 159 | S | 46 | Very low | 42.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 123.8 | 157.6 | -170.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 160 | S | 41 | Very low | 43.1 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -147.7 | 93.8 | 166.3 | -146.8 | 0 | 0 | 0 | 0 | 108.9 | S162 | S160-S162 PolarHBondContact O-N 2.79Š| ||
| 161 | E | 49 | Very low | 44.2 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | -45.1 | 111 | 155 | 54.6 | -138 | 74.9 | 0 | 0 | 110.7 | ||||
| 162 | S | 37.9 | Very low | 45.1 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -141.4 | 103.8 | 162.3 | 36.2 | 0 | 0 | 0 | 0 | 107.4 | S160 T164 | S160-S162 PolarHBondContact O-N 2.79Å; S162-T164 PolarHBondContact O-N 3.23Å; S162-T164 VanDerWaalsContact O-N 3.09Å | ||
| 163 | E | 50.8 | Low | 46.4 | Very low | 203 Ų | 203 | 145.8 Ų | 145.8 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 108.8 | 167.5 | -62.2 | -134.2 | 105.4 | 0 | 0 | 107.8 | ||||
| 164 | T | 38.8 | Very low | 47.8 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | trans | -133.9 | 110.6 | 163.5 | -40.9 | 0 | 0 | 0 | 0 | 106 | S162 S166 | S162-T164 PolarHBondContact O-N 3.23Å; S162-T164 VanDerWaalsContact O-N 3.09Å; T164-S166 PolarHBondContact O-N 3.37Å | ||
| 165 | E | 47.3 | Very low | 49.3 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -58.8 | 81.6 | 177.4 | -161.4 | -147.9 | 127.5 | 0 | 0 | 109.6 | S167 | E165-S167 PolarHBondContact O-N 3.39Š| ||
| 166 | S | 36.6 | Very low | 51 | Low | 95 Ų | 95 | 153 Ų | 153 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 101.3 | 167.2 | 64.6 | 0 | 0 | 0 | 0 | 107 | T164 T168 | T164-S166 PolarHBondContact O-N 3.37Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å | ||
| 167 | S | 42.8 | Very low | 52.9 | Low | 101 Ų | 101 | 150.8 Ų | 150.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -49.7 | 92.9 | 165.2 | 42.1 | 0 | 0 | 0 | 0 | 109.1 | E165 P169 | E165-S167 PolarHBondContact O-N 3.39Å; S167-P169 WeakPolarHBondContact O-CD 3.46Å | ||
| 168 | T | 42.4 | Very low | 55 | Low | 118 Ų | 118 | 156.2 Ų | 156.2 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -59.8 | 111.7 | 176.2 | 49.5 | 0 | 0 | 0 | 0 | 107.6 | S166 R170 | S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å; T168-R170 PolarHBondContact O-N 2.97Å | ||
| 169 | P | 50 | Low | 57.4 | Low | 110 Ų | 110 | 153.2 Ų | 153.2 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -66.4 | 114.9 | 176.6 | 26.7 | -30.2 | 0 | 0 | 0 | 105.7 | S167 L171 | S167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-L171 VanDerWaalsContact C-N 3.35Å; P169-L171 PolarHBondContact O-N 3.44Å | ||
| 170 | R | 57.3 | Low | 59.7 | Low | 236 Ų | 236 | 155.6 Ų | 155.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -43.6 | 102.4 | 171.3 | -78.1 | -178.6 | -97 | -103.1 | 1.6 | 108.1 | T168 K172 | T168-R170 PolarHBondContact O-N 2.97Å; R170-K172 VanDerWaalsContact C-N 3.31Å; R170-K172 PolarHBondContact O-N 3.27Å | ||
| 171 | L | 59.8 | Low | 62.4 | Low | 162 Ų | 162 | 153.5 Ų | 153.5 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -59.3 | 97.4 | 179.8 | -77.2 | 155.5 | 0 | 0 | 0 | 107 | P169 K173 | P169-L171 VanDerWaalsContact C-N 3.35Å; P169-L171 PolarHBondContact O-N 3.44Å; L171-K173 PolarHBondContact O-N 3.36Å | ||
| 172 | K | 63.7 | Low | 64.7 | Low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -56.2 | 110.2 | 172 | -66.5 | 179.2 | -178.3 | 176.1 | 0 | 105.1 | R170 P174 | R170-K172 VanDerWaalsContact C-N 3.31Å; R170-K172 PolarHBondContact O-N 3.27Å; K172-P174 WeakPolarHBondContact O-CD 3.25Å | ||
| 173 | K | 65.6 | Low | 67.5 | Low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -44 | 118.8 | 177.7 | -96 | 79.4 | 172.4 | -178.2 | 0 | 107.5 | L171 R175 | L171-K173 PolarHBondContact O-N 3.36Å; K173-R175 PolarHBondContact O-N 3.47Å; K173-R175 VanDerWaalsContact O-N 3.17Å | ||
| 174 | P | 68.3 | Low | 69.8 | Low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 126.5 | -179 | -27.1 | 34.1 | 0 | 0 | 0 | 109.2 | K172 R176 | K172-P174 WeakPolarHBondContact O-CD 3.25Å; P174-R176 PolarHBondContact O-N 3.45Å; P174-R176 VanDerWaalsContact O-N 3.17Å |
| 175 | R | 75 | Confident | 72.6 | Confident | 240 Ų | 240 | 144.7 Ų | 144.7 | 91% | 0.906 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 126 | 172.9 | -63 | -179.8 | 85.5 | 178.7 | 8.1 | 106.2 | K173 S177 | K173-R175 PolarHBondContact O-N 3.47Å; K173-R175 VanDerWaalsContact O-N 3.17Å; R175-S177 PolarHBondContact O-N 3.26Å |
| 176 | R | 78.1 | Confident | 75 | Confident | 245 Ų | 245 | 139.4 Ų | 139.4 | 93% | 0.925 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 121.8 | 177 | -72.6 | -177 | -178.4 | 127.3 | -0.5 | 108.2 | P174 R178 | P174-R176 PolarHBondContact O-N 3.45Å; P174-R176 VanDerWaalsContact O-N 3.17Å; R176-R178 PolarHBondContact O-N 3.42Å |
| 177 | S | 79.5 | Confident | 78 | Confident | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 139.7 | 176.9 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | R175 T179 | R175-S177 PolarHBondContact O-N 3.26Å; S177-T179 PolarHBondContact O-N 3.47Å |
| 178 | R | 88.6 | Confident | 80.6 | Confident | 228 Ų | 228 | 136.8 Ų | 136.8 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 126.4 | 177.6 | -73.5 | -179.5 | 177 | 165.6 | -0.8 | 108.4 | R176 | R176-R178 PolarHBondContact O-N 3.42Š|
| 179 | T | 86.9 | Confident | 83.3 | Confident | 95 Ų | 95 | 131.2 Ų | 131.2 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 133.8 | 171 | -42.9 | 0 | 0 | 0 | 0 | 109.8 | S177 | S177-T179 PolarHBondContact O-N 3.47Š|
| 180 | I | 94.1 | Very high | 85.6 | Confident | 156 Ų | 156 | 128.1 Ų | 128.1 | 80% | 0.8 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 130 | 170.6 | -55.2 | 179.6 | 0 | 0 | 0 | 107.2 | ||
| 181 | F | 97.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 123.2 Ų | 123.2 | 21% | 0.206 | 59% | 0.591 | C | S | . | * | P | Polyproline II helix | trans | -84.6 | 144.6 | 175.8 | -59.4 | -54 | 0 | 0 | 0 | 110.2 | Q185 L186 L213 Q217 W221 | F181-Q185 HydrophobicContact CB-CB 4.3Å; F181-L186 HydrophobicContact CB-CD2 3.89Å; F181-L186 HydrophobicContact CB-CG 4.02Å; F181-L186 HydrophobicContact CD2-CD2 4.12Å; F181-L186 HydrophobicContact CG-CD2 4.45Å; F181-L213 HydrophobicContact CD1-CD1 4.36Å; F181-L213 HydrophobicContact CD1-CD2 3.79Å; F181-L213 HydrophobicContact CE1-CD1 4.34Å; F181-L213 HydrophobicContact CE1-CD2 3.81Å; F181-Q217 HydrophobicContact CE1-CB 4.09Å; F181-Q217 HydrophobicContact CE1-CG 4.21Å; F181-Q217 HydrophobicContact CZ-CB 4.06Å; F181-Q217 HydrophobicContact CZ-CG 4.31Å; F181-W221 AromaticContact CD2-CD1 3.86Å; F181-W221 HydrophobicContact CE2-CB 4.47Å; F181-W221 AromaticContact CE2-CD1 3.7Å; F181-W221 HydrophobicContact CE2-CG 4.47Å |
| 182 | T | 98.1 | Very high | 89.4 | Confident | 79 Ų | 79 | 118.7 Ų | 118.7 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 161.2 | 173.9 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | L184 Q185 L186 | T182-L184 VanDerWaalsContact C-N 3.31Å; T182-L184 PolarHBondContact O-N 3.47Å; T182-Q185 WeakPolarHBondContact O-CB 3.37Å; T182-Q185 PolarHBondContact O-N 3.23Å; T182-Q185 VanDerWaalsContact O-N 3.17Å; T182-Q185 VanDerWaalsContact OG1-CG 3.26Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.28Å; T182-Q185 PolarHBondContact OG1-N 2.89Å; T182-L186 WeakPolarHBondContact O-CG 3.49Å; T182-L186 PolarHBondContact O-N 2.91Å |
| 183 | E | 97.5 | Very high | 91 | Very high | 168 Ų | 168 | 109.5 Ų | 109.5 | 79% | 0.785 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -40.7 | 179 | -174.8 | 147.8 | -152.5 | 0 | 0 | 112.4 | Q185 L186 M187 | E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.86Å; E183-L186 PolarHBondContact O-N 3.29Å; E183-M187 WeakPolarHBondContact O-CB 3.36Å; E183-M187 PolarHBondContact O-N 2.98Å |
| 184 | L | 97.8 | Very high | 92.6 | Very high | 124 Ų | 124 | 106.5 Ų | 106.5 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 174.7 | -176.6 | 62.8 | 0 | 0 | 0 | 112.1 | T182 M187 G188 | T182-L184 VanDerWaalsContact C-N 3.31Å; T182-L184 PolarHBondContact O-N 3.47Å; L184-M187 HydrophobicContact CD1-CE 3.9Å; L184-M187 PolarHBondContact O-N 3.16Å; L184-G188 PolarHBondContact O-N 2.85Å |
| 185 | Q | 98.3 | Very high | 94 | Very high | 35 Ų | 35 | 108.9 Ų | 108.9 | 16% | 0.164 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.4 | -73.3 | 171.8 | -20 | 0 | 0 | 111.6 | F181 T182 E183 M187 G188 L189 L211 L213 | F181-Q185 HydrophobicContact CB-CB 4.3Å; T182-Q185 WeakPolarHBondContact O-CB 3.37Å; T182-Q185 PolarHBondContact O-N 3.23Å; T182-Q185 VanDerWaalsContact O-N 3.17Å; T182-Q185 VanDerWaalsContact OG1-CG 3.26Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.28Å; T182-Q185 PolarHBondContact OG1-N 2.89Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-Q185 PolarHBondContact O-N 2.86Å; Q185-M187 VanDerWaalsContact C-N 3.34Å; Q185-M187 PolarHBondContact O-N 3.22Å; Q185-G188 PolarHBondContact O-N 3.39Å; Q185-L189 WeakPolarHBondContact O-CB 3.36Å; Q185-L189 WeakPolarHBondContact O-CD1 3.37Å; Q185-L189 WeakPolarHBondContact O-CG 3.44Å; Q185-L189 PolarHBondContact O-N 3.08Å; Q185-L211 HydrophobicContact CG-CB 4.45Å; Q185-L211 PolarHBondContact NE2-O 2.91Å; Q185-L213 HydrophobicContact CG-CD2 4.49Å |
| 186 | L | 98.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 100.2 Ų | 100.2 | 38% | 0.377 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 178 | -68.4 | 175.1 | 0 | 0 | 0 | 111.8 | F181 T182 E183 L189 E190 | F181-L186 HydrophobicContact CB-CD2 3.89Å; F181-L186 HydrophobicContact CB-CG 4.02Å; F181-L186 HydrophobicContact CD2-CD2 4.12Å; F181-L186 HydrophobicContact CG-CD2 4.45Å; T182-L186 WeakPolarHBondContact O-CG 3.49Å; T182-L186 PolarHBondContact O-N 2.91Å; E183-L186 PolarHBondContact O-N 3.29Å; L186-L189 PolarHBondContact O-N 3.37Å; L186-E190 WeakPolarHBondContact O-CB 3.38Å; L186-E190 PolarHBondContact O-N 3.3Å |
| 187 | M | 98.3 | Very high | 96 | Very high | 122 Ų | 122 | 91.2 Ų | 91.2 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | 177.6 | -173.3 | 171.6 | 61.1 | 0 | 0 | 111.7 | E183 L184 Q185 E190 K191 | E183-M187 WeakPolarHBondContact O-CB 3.36Å; E183-M187 PolarHBondContact O-N 2.98Å; L184-M187 HydrophobicContact CD1-CE 3.9Å; L184-M187 PolarHBondContact O-N 3.16Å; Q185-M187 VanDerWaalsContact C-N 3.34Å; Q185-M187 PolarHBondContact O-N 3.22Å; M187-E190 PolarHBondContact O-N 2.87Å; M187-K191 VanDerWaalsContact O-CB 3.3Å; M187-K191 WeakPolarHBondContact O-CB 3.35Å; M187-K191 PolarHBondContact O-N 3.26Å |
| 188 | G | 98.1 | Very high | 96.9 | Very high | 20 Ų | 20 | 92.8 Ų | 92.8 | 21% | 0.206 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L184 Q185 K191 K192 | L184-G188 PolarHBondContact O-N 2.85Å; Q185-G188 PolarHBondContact O-N 3.39Å; G188-K191 PolarHBondContact O-N 3.01Å; G188-K192 PolarHBondContact O-N 3.07Å; G188-K192 VanDerWaalsContact O-N 3.11Å |
| 189 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.5 | -71.5 | 164.7 | 0 | 0 | 0 | 111.6 | Q185 L186 K192 F193 L207 L211 L213 V218 W221 Y222 | Q185-L189 WeakPolarHBondContact O-CB 3.36Å; Q185-L189 WeakPolarHBondContact O-CD1 3.37Å; Q185-L189 WeakPolarHBondContact O-CG 3.44Å; Q185-L189 PolarHBondContact O-N 3.08Å; L186-L189 PolarHBondContact O-N 3.37Å; L189-K192 PolarHBondContact O-N 3.2Å; L189-F193 VanDerWaalsContact O-CB 3.26Å; L189-F193 WeakPolarHBondContact O-CB 3.48Å; L189-F193 PolarHBondContact O-N 3.33Å; L189-L207 HydrophobicContact CD2-CD2 3.99Å; L189-L207 HydrophobicContact CD2-CG 4.49Å; L189-L211 HydrophobicContact CD2-CD1 3.93Å; L189-L211 HydrophobicContact CG-CD1 3.71Å; L189-L213 HydrophobicContact CD1-CD1 4.01Å; L189-L213 HydrophobicContact CD2-CD1 4.42Å; L189-L213 HydrophobicContact CG-CD1 4.48Å; L189-V218 HydrophobicContact CD2-CG1 4.34Å; L189-V218 HydrophobicContact CD2-CG2 4.4Å; L189-W221 HydrophobicContact CB-CD2 3.97Å; L189-W221 HydrophobicContact CB-CE3 3.94Å; L189-W221 HydrophobicContact CB-CH2 3.69Å; L189-W221 HydrophobicContact CB-CZ2 3.7Å; L189-W221 HydrophobicContact CB-CZ3 3.81Å; L189-W221 HydrophobicContact CD1-CB 4.48Å; L189-W221 HydrophobicContact CD1-CD2 3.83Å; L189-W221 HydrophobicContact CD1-CE3 4.47Å; L189-W221 HydrophobicContact CD1-CG 3.8Å; L189-W221 HydrophobicContact CD2-CD2 4.34Å; L189-W221 HydrophobicContact CD2-CE3 4.23Å; L189-W221 HydrophobicContact CG-CD2 4.27Å; L189-W221 HydrophobicContact CG-CE3 4.44Å; L189-Y222 HydrophobicContact CD2-CE2 4.3Å |
| 190 | E | 98.4 | Very high | 97.9 | Very high | 46 Ų | 46 | 80.7 Ų | 80.7 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 179.5 | -169.7 | 60.5 | -145.6 | 0 | 0 | 111.8 | L186 M187 K192 F193 Q194 R225 | L186-E190 WeakPolarHBondContact O-CB 3.38Å; L186-E190 PolarHBondContact O-N 3.3Å; M187-E190 PolarHBondContact O-N 2.87Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3.17Å; E190-F193 CarbonylContact O-C 3.47Å; E190-F193 WeakPolarHBondContact O-CB 3.47Å; E190-F193 PolarHBondContact O-N 2.85Å; E190-F193 VanDerWaalsContact O-N 3.1Å; E190-Q194 WeakPolarHBondContact O-CG 3.49Å; E190-Q194 PolarHBondContact O-N 3.03Å; E190-R225 VanDerWaalsContact CD-NH2 3.3Å; E190-R225 IonicContact OE1-CZ 3.15Å; E190-R225 IonicContact OE1-NE 3.77Å; E190-R225 PolarHBondContact OE1-NE 3.34Å; E190-R225 IonicContact OE1-NH2 3.91Å; E190-R225 PolarHBondContact OE1-NH2 3.5Å; E190-R225 IonicContact OE2-CZ 2.54Å; E190-R225 IonicContact OE2-NE 2.72Å; E190-R225 PolarHBondContact OE2-NE 3.19Å; E190-R225 IonicContact OE2-NH2 3.42Å; E190-R225 PolarHBondContact OE2-NH2 3.4Å |
| 191 | K | 98.3 | Very high | 98.1 | Very high | 132 Ų | 132 | 77.4 Ų | 77.4 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.5 | -44.9 | 177.1 | -176.5 | 178.3 | -177.1 | 176.6 | 0 | 111.7 | M187 G188 | M187-K191 VanDerWaalsContact O-CB 3.3Å; M187-K191 WeakPolarHBondContact O-CB 3.35Å; M187-K191 PolarHBondContact O-N 3.26Å; G188-K191 PolarHBondContact O-N 3.01Å |
| 192 | K | 98.2 | Very high | 98.1 | Very high | 68 Ų | 68 | 78.8 Ų | 78.8 | 30% | 0.296 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 175.9 | -170.9 | 72.6 | 172.2 | -175.7 | 0 | 111.1 | G188 L189 E190 Q194 K195 Q196 L199 L207 Y222 | G188-K192 PolarHBondContact O-N 3.07Å; G188-K192 VanDerWaalsContact O-N 3.11Å; L189-K192 PolarHBondContact O-N 3.2Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3.17Å; K192-Q194 VanDerWaalsContact C-N 3.34Å; K192-Q194 PolarHBondContact O-N 3.42Å; K192-K195 PolarHBondContact O-N 3.01Å; K192-Q196 PolarHBondContact O-N 3.36Å; K192-L199 HydrophobicContact CG-CD2 4.02Å; K192-L207 HydrophobicContact CB-CD1 4.16Å; K192-L207 HydrophobicContact CB-CD2 4.15Å; K192-L207 HydrophobicContact CG-CD1 4.36Å; K192-L207 HydrophobicContact CG-CD2 4.03Å; K192-Y222 WeakPolarHBondContact CG-OH 3.4Å |
| 193 | F | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 77 Ų | 77 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 177.9 | -175.8 | -100.2 | 0 | 0 | 0 | 113.3 | L189 E190 K195 Q196 K197 W221 Y222 R225 R226 W229 | L189-F193 VanDerWaalsContact O-CB 3.26Å; L189-F193 WeakPolarHBondContact O-CB 3.48Å; L189-F193 PolarHBondContact O-N 3.33Å; E190-F193 CarbonylContact O-C 3.47Å; E190-F193 WeakPolarHBondContact O-CB 3.47Å; E190-F193 PolarHBondContact O-N 2.85Å; E190-F193 VanDerWaalsContact O-N 3.1Å; F193-K195 VanDerWaalsContact C-N 3.3Å; F193-K195 PolarHBondContact O-N 3.04Å; F193-Q196 CarbonylContact O-C 3.49Å; F193-Q196 PolarHBondContact O-N 3.32Å; F193-K197 HydrophobicContact CD1-CD 4.08Å; F193-K197 HydrophobicContact CD2-CD 4.39Å; F193-K197 HydrophobicContact CE1-CD 3.57Å; F193-K197 HydrophobicContact CE2-CB 4.22Å; F193-K197 HydrophobicContact CE2-CD 3.92Å; F193-K197 HydrophobicContact CG-CD 4.46Å; F193-K197 HydrophobicContact CZ-CB 4.43Å; F193-K197 HydrophobicContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CE 3.33Å; F193-K197 PolarHBondContact O-NZ 3.44Å; F193-W221 HydrophobicContact CB-CH2 4.27Å; F193-W221 HydrophobicContact CB-CZ3 4.02Å; F193-W221 HydrophobicContact CD2-CZ3 4.39Å; F193-W221 HydrophobicContact CG-CZ3 4.29Å; F193-Y222 HydrophobicContact CB-CE1 4.41Å; F193-Y222 AromaticContact CD2-CD1 3.88Å; F193-Y222 HydrophobicContact CD2-CD1 3.88Å; F193-Y222 AromaticContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CE2-CD1 4.37Å; F193-Y222 HydrophobicContact CE2-CE1 4.48Å; F193-Y222 PolarHBondContact N-OH 3.24Å; F193-R225 HydrophobicContact CD1-CG 3.63Å; F193-R225 HydrophobicContact CD2-CB 4.38Å; F193-R225 HydrophobicContact CD2-CG 3.85Å; F193-R225 HydrophobicContact CE1-CG 3.55Å; F193-R225 HydrophobicContact CE2-CB 4.2Å; F193-R225 HydrophobicContact CE2-CG 3.78Å; F193-R225 HydrophobicContact CG-CG 3.79Å; F193-R225 HydrophobicContact CZ-CB 4.37Å; F193-R225 HydrophobicContact CZ-CG 3.63Å; F193-R226 HydrophobicContact CE2-CG 3.82Å; F193-R226 HydrophobicContact CZ-CG 4.19Å; F193-W229 HydrophobicContact CE1-CB 4.33Å; F193-W229 HydrophobicContact CE1-CG 4.43Å; F193-W229 HydrophobicContact CZ-CB 4.16Å; F193-W229 HydrophobicContact CZ-CG 4.36Å |
| 194 | Q | 97.8 | Very high | 98.2 | Very high | 128 Ų | 128 | 71.6 Ų | 71.6 | 60% | 0.598 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.1 | -44.8 | 174.7 | -75.9 | 174.3 | -4.9 | 0 | 0 | 111.4 | E190 K192 K197 | E190-Q194 WeakPolarHBondContact O-CG 3.49Å; E190-Q194 PolarHBondContact O-N 3.03Å; K192-Q194 VanDerWaalsContact C-N 3.34Å; K192-Q194 PolarHBondContact O-N 3.42Å; Q194-K197 PolarHBondContact O-NZ 3.06Å |
| 195 | K | 97.8 | Very high | 98.2 | Very high | 169 Ų | 169 | 68.6 Ų | 68.6 | 74% | 0.735 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -73.4 | -40 | 178.6 | -59.4 | -177.9 | -179.8 | -169 | 0 | 113.1 | K192 F193 | K192-K195 PolarHBondContact O-N 3.01Å; F193-K195 VanDerWaalsContact C-N 3.3Å; F193-K195 PolarHBondContact O-N 3.04Å |
| 196 | Q | 97.9 | Very high | 98.2 | Very high | 57 Ų | 57 | 71.2 Ų | 71.2 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | trans | -143.1 | 109.1 | -171.3 | -175.7 | 178.6 | -6.7 | 0 | 0 | 110.6 | K192 F193 Y198 L199 D203 Y222 | K192-Q196 PolarHBondContact O-N 3.36Å; F193-Q196 CarbonylContact O-C 3.49Å; F193-Q196 PolarHBondContact O-N 3.32Å; Q196-Y198 VanDerWaalsContact C-N 3.3Å; Q196-Y198 WeakPolarHBondContact CG-O 3.38Å; Q196-Y198 PolarHBondContact NE2-O 3.39Å; Q196-Y198 PolarHBondContact O-N 2.85Å; Q196-L199 HydrophobicContact CG-CD2 4.2Å; Q196-D203 PolarHBondContact NE2-OD2 3.08Å; Q196-Y222 WeakPolarHBondContact O-CE1 3.45Å | ||
| 197 | K | 97.7 | Very high | 98.2 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -73 | -21.3 | -177.8 | -53.4 | -63.3 | 166.2 | -157.7 | 0 | 113.5 | F193 Q194 R226 | F193-K197 HydrophobicContact CD1-CD 4.08Å; F193-K197 HydrophobicContact CD2-CD 4.39Å; F193-K197 HydrophobicContact CE1-CD 3.57Å; F193-K197 HydrophobicContact CE2-CB 4.22Å; F193-K197 HydrophobicContact CE2-CD 3.92Å; F193-K197 HydrophobicContact CG-CD 4.46Å; F193-K197 HydrophobicContact CZ-CB 4.43Å; F193-K197 HydrophobicContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact CZ-CD 3.48Å; F193-K197 VanDerWaalsContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CD 3.31Å; F193-K197 WeakPolarHBondContact O-CE 3.33Å; F193-K197 PolarHBondContact O-NZ 3.44Å; Q194-K197 PolarHBondContact O-NZ 3.06Å; K197-R226 WeakPolarHBondContact O-CD 3.48Å |
| 198 | Y | 98.2 | Very high | 98.2 | Very high | 144 Ų | 144 | 63.1 Ų | 63.1 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -132.8 | 116.6 | -177.6 | -63.7 | -108.3 | 0 | 0 | 0 | 109.3 | Q196 | Q196-Y198 VanDerWaalsContact C-N 3.3Å; Q196-Y198 WeakPolarHBondContact CG-O 3.38Å; Q196-Y198 PolarHBondContact NE2-O 3.39Å; Q196-Y198 PolarHBondContact O-N 2.85Å |
| 199 | L | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | trans | -88.2 | 137.7 | 176.8 | -63.1 | 175.2 | 0 | 0 | 0 | 111.6 | K192 Q196 D203 R204 L207 V218 Y222 | K192-L199 HydrophobicContact CG-CD2 4.02Å; Q196-L199 HydrophobicContact CG-CD2 4.2Å; L199-D203 HydrophobicContact CB-CB 4.2Å; L199-D203 HydrophobicContact CD2-CB 3.88Å; L199-R204 HydrophobicContact CB-CB 4.42Å; L199-L207 HydrophobicContact CD1-CD2 3.68Å; L199-V218 HydrophobicContact CD1-CG1 3.92Å; L199-Y222 HydrophobicContact CD1-CD1 4.21Å; L199-Y222 HydrophobicContact CD1-CD2 3.85Å; L199-Y222 HydrophobicContact CD1-CE1 3.74Å; L199-Y222 HydrophobicContact CD1-CE2 3.35Å; L199-Y222 HydrophobicContact CD1-CG 4.26Å; L199-Y222 HydrophobicContact CD2-CE1 4.16Å; L199-Y222 HydrophobicContact CG-CD1 4.04Å; L199-Y222 HydrophobicContact CG-CE1 3.48Å; L199-Y222 VanDerWaalsContact CG-CE1 3.48Å; L199-Y222 HydrophobicContact CG-CE2 4.08Å | ||
| 200 | S | 98.2 | Very high | 98.2 | Very high | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | trans | -69.6 | 170.2 | 163.8 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | P202 D203 R204 | S200-P202 WeakPolarHBondContact OG-CD 3.31Å; S200-P202 WeakPolarHBondContact OG-CG 3.38Å; S200-D203 WeakPolarHBondContact CB-OD2 3.43Å; S200-D203 PolarHBondContact N-OD2 3.1Å; S200-D203 PolarHBondContact OG-N 3.43Å; S200-D203 PolarHBondContact OG-OD2 3.19Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 3.46Å; S200-R204 VanDerWaalsContact O-N 3.12Å | ||
| 201 | T | 98.1 | Very high | 98.2 | Very high | 87 Ų | 87 | 73.2 Ų | 73.2 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 175 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | R204 L205 | T201-R204 WeakPolarHBondContact O-CB 3.45Å; T201-R204 PolarHBondContact O-N 3.23Å; T201-L205 PolarHBondContact O-N 3.43Å |
| 202 | P | 98.3 | Very high | 98.2 | Very high | 75 Ų | 75 | 70.1 Ų | 70.1 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 177.3 | 23.2 | -32.6 | 0 | 0 | 0 | 112.6 | S200 R204 L205 D206 | S200-P202 WeakPolarHBondContact OG-CD 3.31Å; S200-P202 WeakPolarHBondContact OG-CG 3.38Å; P202-R204 PolarHBondContact O-N 2.9Å; P202-R204 VanDerWaalsContact O-N 3.08Å; P202-L205 WeakPolarHBondContact O-CA 3.15Å; P202-L205 WeakPolarHBondContact O-CB 3.45Å; P202-L205 PolarHBondContact O-N 3.18Å; P202-D206 PolarHBondContact O-N 2.99Å; P202-D206 VanDerWaalsContact O-N 3.08Å |
| 203 | D | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.2 | -33.1 | 178.4 | -64.3 | -45.2 | 0 | 0 | 0 | 112.9 | Q196 L199 S200 L207 | Q196-D203 PolarHBondContact NE2-OD2 3.08Å; L199-D203 HydrophobicContact CB-CB 4.2Å; L199-D203 HydrophobicContact CD2-CB 3.88Å; S200-D203 WeakPolarHBondContact CB-OD2 3.43Å; S200-D203 PolarHBondContact N-OD2 3.1Å; S200-D203 PolarHBondContact OG-N 3.43Å; S200-D203 PolarHBondContact OG-OD2 3.19Å; D203-L207 WeakPolarHBondContact O-CB 2.81Å; D203-L207 PolarHBondContact O-N 3.03Å; D203-L207 VanDerWaalsContact O-N 3.13Å |
| 204 | R | 98.6 | Very high | 98.1 | Very high | 54 Ų | 54 | 71.2 Ų | 71.2 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 177.4 | -172.1 | -171.1 | -56.1 | 157.5 | 9.8 | 111.7 | L199 S200 T201 P202 A208 Q215 V218 | L199-R204 HydrophobicContact CB-CB 4.42Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 3.46Å; S200-R204 VanDerWaalsContact O-N 3.12Å; T201-R204 WeakPolarHBondContact O-CB 3.45Å; T201-R204 PolarHBondContact O-N 3.23Å; P202-R204 PolarHBondContact O-N 2.9Å; P202-R204 VanDerWaalsContact O-N 3.08Å; R204-A208 WeakPolarHBondContact O-CB 3.36Å; R204-A208 PolarHBondContact O-N 3.38Å; R204-Q215 WeakPolarHBondContact CD-O 3.3Å; R204-Q215 HydrophobicContact CG-CB 4.45Å; R204-V218 HydrophobicContact CG-CB 4.02Å; R204-V218 HydrophobicContact CG-CG1 3.8Å |
| 205 | L | 98.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 69.2 Ų | 69.2 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 175.7 | -77.5 | 163.5 | 0 | 0 | 0 | 110.1 | T201 P202 L207 A208 Q209 Q215 | T201-L205 PolarHBondContact O-N 3.43Å; P202-L205 WeakPolarHBondContact O-CA 3.15Å; P202-L205 WeakPolarHBondContact O-CB 3.45Å; P202-L205 PolarHBondContact O-N 3.18Å; L205-L207 PolarHBondContact O-N 3.49Å; L205-A208 WeakPolarHBondContact O-CB 3.4Å; L205-A208 PolarHBondContact O-N 3.49Å; L205-Q209 WeakPolarHBondContact O-CG 3.3Å; L205-Q209 PolarHBondContact O-N 3.45Å; L205-Q215 HydrophobicContact CD2-CG 3.73Å; L205-Q215 HydrophobicContact CG-CG 4.31Å |
| 206 | D | 98.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | -177.6 | -59.6 | -13 | 0 | 0 | 0 | 111.6 | P202 Q209 S210 | P202-D206 PolarHBondContact O-N 2.99Å; P202-D206 VanDerWaalsContact O-N 3.08Å; D206-Q209 PolarHBondContact O-N 3.35Å; D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 3.36Å; D206-S210 PolarHBondContact O-OG 3.12Å |
| 207 | L | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.2 | -174.9 | 62.4 | 0 | 0 | 0 | 112.2 | L189 K192 L199 D203 L205 S210 L211 V218 Y222 | L189-L207 HydrophobicContact CD2-CD2 3.99Å; L189-L207 HydrophobicContact CD2-CG 4.49Å; K192-L207 HydrophobicContact CB-CD1 4.16Å; K192-L207 HydrophobicContact CB-CD2 4.15Å; K192-L207 HydrophobicContact CG-CD1 4.36Å; K192-L207 HydrophobicContact CG-CD2 4.03Å; L199-L207 HydrophobicContact CD1-CD2 3.68Å; D203-L207 WeakPolarHBondContact O-CB 2.81Å; D203-L207 PolarHBondContact O-N 3.03Å; D203-L207 VanDerWaalsContact O-N 3.13Å; L205-L207 PolarHBondContact O-N 3.49Å; L207-S210 PolarHBondContact O-N 3.42Å; L207-L211 HydrophobicContact CD1-CD1 3.7Å; L207-L211 HydrophobicContact CD1-CG 4.13Å; L207-L211 HydrophobicContact CG-CD1 4.08Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.31Å; L207-L211 VanDerWaalsContact O-N 3.16Å; L207-V218 HydrophobicContact CD2-CG1 3.89Å; L207-Y222 HydrophobicContact CD2-CE2 3.8Å |
| 208 | A | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R204 L205 L211 G212 L213 Q215 V218 | R204-A208 WeakPolarHBondContact O-CB 3.36Å; R204-A208 PolarHBondContact O-N 3.38Å; L205-A208 WeakPolarHBondContact O-CB 3.4Å; L205-A208 PolarHBondContact O-N 3.49Å; A208-L211 PolarHBondContact O-N 3.22Å; A208-G212 PolarHBondContact O-N 3.42Å; A208-L213 CarbonylContact C-O 3.6Å; A208-L213 VanDerWaalsContact CB-O 3.3Å; A208-L213 WeakPolarHBondContact CB-O 3.36Å; A208-L213 PolarHBondContact O-N 2.92Å; A208-Q215 HydrophobicContact CB-CG 4.43Å; A208-V218 HydrophobicContact CB-CG2 3.97Å |
| 209 | Q | 98.4 | Very high | 98.2 | Very high | 149 Ų | 149 | 60.9 Ų | 60.9 | 70% | 0.696 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -47.2 | 175.7 | -72.3 | 177.6 | -16.7 | 0 | 0 | 111.6 | L205 D206 L211 G212 | L205-Q209 WeakPolarHBondContact O-CG 3.3Å; L205-Q209 PolarHBondContact O-N 3.45Å; D206-Q209 PolarHBondContact O-N 3.35Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 3.34Å; Q209-G212 PolarHBondContact O-N 3.45Å |
| 210 | S | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.9 | -30.5 | -178 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | D206 L207 | D206-S210 WeakPolarHBondContact O-CB 3.42Å; D206-S210 PolarHBondContact O-N 3.36Å; D206-S210 PolarHBondContact O-OG 3.12Å; L207-S210 PolarHBondContact O-N 3.42Å |
| 211 | L | 97.7 | Very high | 98.2 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -105.1 | 1.3 | -176.5 | -60.8 | -179.4 | 0 | 0 | 0 | 113.9 | Q185 L189 L207 A208 Q209 L213 | Q185-L211 HydrophobicContact CG-CB 4.45Å; Q185-L211 PolarHBondContact NE2-O 2.91Å; L189-L211 HydrophobicContact CD2-CD1 3.93Å; L189-L211 HydrophobicContact CG-CD1 3.71Å; L207-L211 HydrophobicContact CD1-CD1 3.7Å; L207-L211 HydrophobicContact CD1-CG 4.13Å; L207-L211 HydrophobicContact CG-CD1 4.08Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.31Å; L207-L211 VanDerWaalsContact O-N 3.16Å; A208-L211 PolarHBondContact O-N 3.22Å; Q209-L211 VanDerWaalsContact C-N 3.25Å; Q209-L211 PolarHBondContact O-N 3.34Å; L211-L213 VanDerWaalsContact C-N 3.28Å; L211-L213 HydrophobicContact CB-CD1 4.14Å; L211-L213 HydrophobicContact CB-CG 4.08Å; L211-L213 HydrophobicContact CD1-CD1 4.45Å; L211-L213 PolarHBondContact O-N 3.01Å |
| 212 | G | 97.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 58 Ų | 58 | 69% | 0.691 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 34.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A208 Q209 | A208-G212 PolarHBondContact O-N 3.42Å; Q209-G212 PolarHBondContact O-N 3.45Å |
| 213 | L | 97.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | trans | -110.2 | 161.2 | 179.8 | -64.9 | -179.7 | 0 | 0 | 0 | 110.9 | F181 Q185 L189 A208 L211 V218 | F181-L213 HydrophobicContact CD1-CD1 4.36Å; F181-L213 HydrophobicContact CD1-CD2 3.79Å; F181-L213 HydrophobicContact CE1-CD1 4.34Å; F181-L213 HydrophobicContact CE1-CD2 3.81Å; Q185-L213 HydrophobicContact CG-CD2 4.49Å; L189-L213 HydrophobicContact CD1-CD1 4.01Å; L189-L213 HydrophobicContact CD2-CD1 4.42Å; L189-L213 HydrophobicContact CG-CD1 4.48Å; A208-L213 CarbonylContact C-O 3.6Å; A208-L213 VanDerWaalsContact CB-O 3.3Å; A208-L213 WeakPolarHBondContact CB-O 3.36Å; A208-L213 PolarHBondContact O-N 2.92Å; L211-L213 VanDerWaalsContact C-N 3.28Å; L211-L213 HydrophobicContact CB-CD1 4.14Å; L211-L213 HydrophobicContact CB-CG 4.08Å; L211-L213 HydrophobicContact CD1-CD1 4.45Å; L211-L213 PolarHBondContact O-N 3.01Å; L213-V218 HydrophobicContact CB-CG2 4.07Å; L213-V218 HydrophobicContact CD1-CG2 4.36Å | ||
| 214 | T | 98.2 | Very high | 98.1 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -81.6 | 151.7 | 169.1 | 64.3 | 0 | 0 | 0 | 0 | 111 | L216 Q217 V218 | T214-L216 PolarHBondContact O-N 2.8Å; T214-L216 VanDerWaalsContact O-N 3.14Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 3.17Å; T214-Q217 VanDerWaalsContact OG1-CD 3.3Å; T214-Q217 VanDerWaalsContact OG1-CG 3.25Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q217 PolarHBondContact OG1-N 3.2Å; T214-Q217 PolarHBondContact OG1-OE1 2.78Å; T214-V218 PolarHBondContact O-N 3.03Å; T214-V218 VanDerWaalsContact O-N 3.08Å | ||
| 215 | Q | 98.1 | Very high | 98.1 | Very high | 86 Ų | 86 | 60.9 Ų | 60.9 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -53.4 | -36.4 | 173.1 | -67.9 | 178.1 | 62.5 | 0 | 0 | 112.3 | R204 L205 A208 V218 K219 | R204-Q215 WeakPolarHBondContact CD-O 3.3Å; R204-Q215 HydrophobicContact CG-CB 4.45Å; L205-Q215 HydrophobicContact CD2-CG 3.73Å; L205-Q215 HydrophobicContact CG-CG 4.31Å; A208-Q215 HydrophobicContact CB-CG 4.43Å; Q215-V218 PolarHBondContact O-N 3.03Å; Q215-K219 VanDerWaalsContact O-CB 3.28Å; Q215-K219 WeakPolarHBondContact O-CB 3.39Å; Q215-K219 PolarHBondContact O-N 3.36Å |
| 216 | L | 97.6 | Very high | 98.1 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 60% | 0.602 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 178 | 179.1 | 60.2 | 0 | 0 | 0 | 111.5 | T214 V218 K219 T220 | T214-L216 PolarHBondContact O-N 2.8Å; T214-L216 VanDerWaalsContact O-N 3.14Å; L216-V218 PolarHBondContact O-N 3.15Å; L216-K219 WeakPolarHBondContact O-CB 3.35Å; L216-K219 PolarHBondContact O-N 3.4Å; L216-T220 WeakPolarHBondContact O-CB 3.44Å; L216-T220 PolarHBondContact O-N 3.47Å; L216-T220 PolarHBondContact O-OG1 3.03Å |
| 217 | Q | 97.8 | Very high | 98 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.8 | -75.6 | 164.2 | -43.7 | 0 | 0 | 111.4 | F181 T214 K219 T220 W221 | F181-Q217 HydrophobicContact CE1-CB 4.09Å; F181-Q217 HydrophobicContact CE1-CG 4.21Å; F181-Q217 HydrophobicContact CZ-CB 4.06Å; F181-Q217 HydrophobicContact CZ-CG 4.31Å; T214-Q217 WeakPolarHBondContact O-CB 3.5Å; T214-Q217 PolarHBondContact O-N 3.17Å; T214-Q217 VanDerWaalsContact OG1-CD 3.3Å; T214-Q217 VanDerWaalsContact OG1-CG 3.25Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q217 PolarHBondContact OG1-N 3.2Å; T214-Q217 PolarHBondContact OG1-OE1 2.78Å; Q217-K219 PolarHBondContact O-N 3.04Å; Q217-T220 PolarHBondContact O-N 3Å; Q217-W221 WeakPolarHBondContact O-CB 3.25Å; Q217-W221 PolarHBondContact O-N 3.4Å |
| 218 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | L189 L199 R204 L207 A208 L213 T214 Q215 L216 T220 W221 Y222 | L189-V218 HydrophobicContact CD2-CG1 4.34Å; L189-V218 HydrophobicContact CD2-CG2 4.4Å; L199-V218 HydrophobicContact CD1-CG1 3.92Å; R204-V218 HydrophobicContact CG-CB 4.02Å; R204-V218 HydrophobicContact CG-CG1 3.8Å; L207-V218 HydrophobicContact CD2-CG1 3.89Å; A208-V218 HydrophobicContact CB-CG2 3.97Å; L213-V218 HydrophobicContact CB-CG2 4.07Å; L213-V218 HydrophobicContact CD1-CG2 4.36Å; T214-V218 PolarHBondContact O-N 3.03Å; T214-V218 VanDerWaalsContact O-N 3.08Å; Q215-V218 PolarHBondContact O-N 3.03Å; L216-V218 PolarHBondContact O-N 3.15Å; V218-T220 PolarHBondContact O-N 2.95Å; V218-W221 PolarHBondContact O-N 3.2Å; V218-Y222 HydrophobicContact CG1-CD2 3.89Å; V218-Y222 HydrophobicContact CG1-CE2 4.08Å; V218-Y222 WeakPolarHBondContact O-CB 3.3Å; V218-Y222 WeakPolarHBondContact O-CD2 3.39Å; V218-Y222 PolarHBondContact O-N 3.47Å |
| 219 | K | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 72.1 Ų | 72.1 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58 | -49.3 | 177 | 179.2 | -175.2 | 176.7 | -177.3 | 0 | 111.8 | Q215 L216 Q217 Y222 Q223 | Q215-K219 VanDerWaalsContact O-CB 3.28Å; Q215-K219 WeakPolarHBondContact O-CB 3.39Å; Q215-K219 PolarHBondContact O-N 3.36Å; L216-K219 WeakPolarHBondContact O-CB 3.35Å; L216-K219 PolarHBondContact O-N 3.4Å; Q217-K219 PolarHBondContact O-N 3.04Å; K219-Y222 PolarHBondContact O-N 3.25Å; K219-Q223 WeakPolarHBondContact O-CG 3.33Å; K219-Q223 PolarHBondContact O-N 3.15Å |
| 220 | T | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | -179.8 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | L216 Q217 V218 Y222 Q223 N224 | L216-T220 WeakPolarHBondContact O-CB 3.44Å; L216-T220 PolarHBondContact O-N 3.47Å; L216-T220 PolarHBondContact O-OG1 3.03Å; Q217-T220 PolarHBondContact O-N 3Å; V218-T220 PolarHBondContact O-N 2.95Å; T220-Y222 PolarHBondContact O-N 3.48Å; T220-Q223 PolarHBondContact O-N 3.09Å; T220-N224 VanDerWaalsContact O-CG 3.31Å; T220-N224 PolarHBondContact O-N 2.94Å; T220-N224 PolarHBondContact O-ND2 3.41Å |
| 221 | W | 98.1 | Very high | 97.2 | Very high | 32 Ų | 32 | 73.2 Ų | 73.2 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 176.1 | -170.2 | 100 | 0 | 0 | 0 | 111.2 | F181 L189 F193 Q217 V218 Q223 N224 R225 | F181-W221 AromaticContact CD2-CD1 3.86Å; F181-W221 HydrophobicContact CE2-CB 4.47Å; F181-W221 AromaticContact CE2-CD1 3.7Å; F181-W221 HydrophobicContact CE2-CG 4.47Å; L189-W221 HydrophobicContact CB-CD2 3.97Å; L189-W221 HydrophobicContact CB-CE3 3.94Å; L189-W221 HydrophobicContact CB-CH2 3.69Å; L189-W221 HydrophobicContact CB-CZ2 3.7Å; L189-W221 HydrophobicContact CB-CZ3 3.81Å; L189-W221 HydrophobicContact CD1-CB 4.48Å; L189-W221 HydrophobicContact CD1-CD2 3.83Å; L189-W221 HydrophobicContact CD1-CE3 4.47Å; L189-W221 HydrophobicContact CD1-CG 3.8Å; L189-W221 HydrophobicContact CD2-CD2 4.34Å; L189-W221 HydrophobicContact CD2-CE3 4.23Å; L189-W221 HydrophobicContact CG-CD2 4.27Å; L189-W221 HydrophobicContact CG-CE3 4.44Å; F193-W221 HydrophobicContact CB-CH2 4.27Å; F193-W221 HydrophobicContact CB-CZ3 4.02Å; F193-W221 HydrophobicContact CD2-CZ3 4.39Å; F193-W221 HydrophobicContact CG-CZ3 4.29Å; Q217-W221 WeakPolarHBondContact O-CB 3.25Å; Q217-W221 PolarHBondContact O-N 3.4Å; V218-W221 PolarHBondContact O-N 3.2Å; W221-Q223 VanDerWaalsContact C-N 3.33Å; W221-Q223 PolarHBondContact O-N 3.46Å; W221-N224 PolarHBondContact O-N 3.26Å; W221-R225 HydrophobicContact CD2-CB 4.45Å; W221-R225 HydrophobicContact CE3-CB 3.93Å; W221-R225 HydrophobicContact CE3-CG 4.44Å; W221-R225 HydrophobicContact CH2-CB 4.03Å; W221-R225 HydrophobicContact CH2-CG 3.68Å; W221-R225 HydrophobicContact CZ2-CG 4.4Å; W221-R225 HydrophobicContact CZ3-CB 3.69Å; W221-R225 HydrophobicContact CZ3-CG 3.7Å; W221-R225 VanDerWaalsContact O-CB 3.31Å; W221-R225 WeakPolarHBondContact O-CB 3.39Å; W221-R225 PolarHBondContact O-N 3.45Å |
| 222 | Y | 98.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 74.7 Ų | 74.7 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 176.9 | -96.1 | -102.9 | 0 | 0 | 0 | 113.5 | L189 K192 F193 Q196 L199 L207 V218 K219 T220 R226 | L189-Y222 HydrophobicContact CD2-CE2 4.3Å; K192-Y222 WeakPolarHBondContact CG-OH 3.4Å; F193-Y222 HydrophobicContact CB-CE1 4.41Å; F193-Y222 AromaticContact CD2-CD1 3.88Å; F193-Y222 HydrophobicContact CD2-CD1 3.88Å; F193-Y222 AromaticContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CD2-CE1 3.65Å; F193-Y222 HydrophobicContact CE2-CD1 4.37Å; F193-Y222 HydrophobicContact CE2-CE1 4.48Å; F193-Y222 PolarHBondContact N-OH 3.24Å; Q196-Y222 WeakPolarHBondContact O-CE1 3.45Å; L199-Y222 HydrophobicContact CD1-CD1 4.21Å; L199-Y222 HydrophobicContact CD1-CD2 3.85Å; L199-Y222 HydrophobicContact CD1-CE1 3.74Å; L199-Y222 HydrophobicContact CD1-CE2 3.35Å; L199-Y222 HydrophobicContact CD1-CG 4.26Å; L199-Y222 HydrophobicContact CD2-CE1 4.16Å; L199-Y222 HydrophobicContact CG-CD1 4.04Å; L199-Y222 HydrophobicContact CG-CE1 3.48Å; L199-Y222 VanDerWaalsContact CG-CE1 3.48Å; L199-Y222 HydrophobicContact CG-CE2 4.08Å; L207-Y222 HydrophobicContact CD2-CE2 3.8Å; V218-Y222 HydrophobicContact CG1-CD2 3.89Å; V218-Y222 HydrophobicContact CG1-CE2 4.08Å; V218-Y222 WeakPolarHBondContact O-CB 3.3Å; V218-Y222 WeakPolarHBondContact O-CD2 3.39Å; V218-Y222 PolarHBondContact O-N 3.47Å; K219-Y222 PolarHBondContact O-N 3.25Å; T220-Y222 PolarHBondContact O-N 3.48Å; Y222-R226 WeakPolarHBondContact O-CB 3.42Å; Y222-R226 VanDerWaalsContact O-CG 3.3Å; Y222-R226 WeakPolarHBondContact O-CG 3.22Å; Y222-R226 PolarHBondContact O-N 3.37Å; Y222-R226 VanDerWaalsContact O-N 3.08Å; Y222-R226 PolarHBondContact O-NE 3.26Å |
| 223 | Q | 98.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 75.7 Ų | 75.7 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 172.1 | -75.4 | 175.1 | -0.5 | 0 | 0 | 110.8 | K219 T220 W221 R225 R226 M227 | K219-Q223 WeakPolarHBondContact O-CG 3.33Å; K219-Q223 PolarHBondContact O-N 3.15Å; T220-Q223 PolarHBondContact O-N 3.09Å; W221-Q223 VanDerWaalsContact C-N 3.33Å; W221-Q223 PolarHBondContact O-N 3.46Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 3.44Å; Q223-R226 PolarHBondContact O-N 2.92Å; Q223-M227 WeakPolarHBondContact O-CG 3.49Å; Q223-M227 PolarHBondContact O-N 2.87Å; Q223-M227 VanDerWaalsContact O-N 3.07Å |
| 224 | N | 97.7 | Very high | 95.5 | Very high | 103 Ų | 103 | 82.1 Ų | 82.1 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 178.9 | -68.4 | -18.6 | 0 | 0 | 0 | 111.7 | T220 W221 M227 K228 | T220-N224 VanDerWaalsContact O-CG 3.31Å; T220-N224 PolarHBondContact O-N 2.94Å; T220-N224 PolarHBondContact O-ND2 3.41Å; W221-N224 PolarHBondContact O-N 3.26Å; N224-M227 PolarHBondContact O-N 2.73Å; N224-K228 PolarHBondContact O-N 3.05Å |
| 225 | R | 97.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 86.5 Ų | 86.5 | 19% | 0.185 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 180 | -171.2 | 65.1 | -179.1 | 127.5 | -5.9 | 112 | E190 F193 W221 Q223 M227 K228 W229 | E190-R225 VanDerWaalsContact CD-NH2 3.3Å; E190-R225 IonicContact OE1-CZ 3.15Å; E190-R225 IonicContact OE1-NE 3.77Å; E190-R225 PolarHBondContact OE1-NE 3.34Å; E190-R225 IonicContact OE1-NH2 3.91Å; E190-R225 PolarHBondContact OE1-NH2 3.5Å; E190-R225 IonicContact OE2-CZ 2.54Å; E190-R225 IonicContact OE2-NE 2.72Å; E190-R225 PolarHBondContact OE2-NE 3.19Å; E190-R225 IonicContact OE2-NH2 3.42Å; E190-R225 PolarHBondContact OE2-NH2 3.4Å; F193-R225 HydrophobicContact CD1-CG 3.63Å; F193-R225 HydrophobicContact CD2-CB 4.38Å; F193-R225 HydrophobicContact CD2-CG 3.85Å; F193-R225 HydrophobicContact CE1-CG 3.55Å; F193-R225 HydrophobicContact CE2-CB 4.2Å; F193-R225 HydrophobicContact CE2-CG 3.78Å; F193-R225 HydrophobicContact CG-CG 3.79Å; F193-R225 HydrophobicContact CZ-CB 4.37Å; F193-R225 HydrophobicContact CZ-CG 3.63Å; W221-R225 HydrophobicContact CD2-CB 4.45Å; W221-R225 HydrophobicContact CE3-CB 3.93Å; W221-R225 HydrophobicContact CE3-CG 4.44Å; W221-R225 HydrophobicContact CH2-CB 4.03Å; W221-R225 HydrophobicContact CH2-CG 3.68Å; W221-R225 HydrophobicContact CZ2-CG 4.4Å; W221-R225 HydrophobicContact CZ3-CB 3.69Å; W221-R225 HydrophobicContact CZ3-CG 3.7Å; W221-R225 VanDerWaalsContact O-CB 3.31Å; W221-R225 WeakPolarHBondContact O-CB 3.39Å; W221-R225 PolarHBondContact O-N 3.45Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 3.44Å; R225-M227 PolarHBondContact O-N 2.68Å; R225-K228 PolarHBondContact O-N 3.21Å; R225-W229 WeakPolarHBondContact O-CB 3.33Å; R225-W229 PolarHBondContact O-N 3.28Å |
| 226 | R | 97.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 85.1 Ų | 85.1 | 25% | 0.253 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 174.7 | -76.2 | -177.6 | -66.8 | 164.4 | 3.6 | 112.7 | F193 K197 Y222 Q223 W229 K230 | F193-R226 HydrophobicContact CE2-CG 3.82Å; F193-R226 HydrophobicContact CZ-CG 4.19Å; K197-R226 WeakPolarHBondContact O-CD 3.48Å; Y222-R226 WeakPolarHBondContact O-CB 3.42Å; Y222-R226 VanDerWaalsContact O-CG 3.3Å; Y222-R226 WeakPolarHBondContact O-CG 3.22Å; Y222-R226 PolarHBondContact O-N 3.37Å; Y222-R226 VanDerWaalsContact O-N 3.08Å; Y222-R226 PolarHBondContact O-NE 3.26Å; Q223-R226 PolarHBondContact O-N 2.92Å; R226-W229 PolarHBondContact O-N 3.22Å; R226-K230 WeakPolarHBondContact O-CB 3.43Å; R226-K230 PolarHBondContact O-N 3.41Å |
| 227 | M | 97.4 | Very high | 91.1 | Very high | 120 Ų | 120 | 83.4 Ų | 83.4 | 59% | 0.591 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 175.8 | -67.3 | -57.1 | 178.4 | 0 | 0 | 111.5 | Q223 N224 R225 K231 | Q223-M227 WeakPolarHBondContact O-CG 3.49Å; Q223-M227 PolarHBondContact O-N 2.87Å; Q223-M227 VanDerWaalsContact O-N 3.07Å; N224-M227 PolarHBondContact O-N 2.73Å; R225-M227 PolarHBondContact O-N 2.68Å; M227-K231 PolarHBondContact O-N 3.44Å; M227-K231 VanDerWaalsContact O-N 3.08Å |
| 228 | K | 95.2 | Very high | 88.5 | Confident | 125 Ų | 125 | 89.3 Ų | 89.3 | 54% | 0.543 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -53.2 | 173.4 | -175.4 | 175.8 | 175.8 | -173.7 | 0 | 110.1 | N224 R225 K230 K231 M232 | N224-K228 PolarHBondContact O-N 3.05Å; R225-K228 PolarHBondContact O-N 3.21Å; K228-K230 PolarHBondContact O-N 3.4Å; K228-K231 WeakPolarHBondContact O-CA 3.38Å; K228-K231 WeakPolarHBondContact O-CB 3.37Å; K228-K231 PolarHBondContact O-N 3.15Å; K228-M232 HydrophobicContact CG-CG 4.45Å; K228-M232 HydrophobicContact CG-SD 4.25Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.4Å; K228-M232 PolarHBondContact O-N 2.97Å |
| 229 | W | 95 | Very high | 86.2 | Confident | 99 Ų | 99 | 95 Ų | 95 | 38% | 0.375 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.5 | -49 | 180 | 176 | 65.2 | 0 | 0 | 0 | 112.5 | F193 R225 R226 K231 M232 V233 | F193-W229 HydrophobicContact CE1-CB 4.33Å; F193-W229 HydrophobicContact CE1-CG 4.43Å; F193-W229 HydrophobicContact CZ-CB 4.16Å; F193-W229 HydrophobicContact CZ-CG 4.36Å; R225-W229 WeakPolarHBondContact O-CB 3.33Å; R225-W229 PolarHBondContact O-N 3.28Å; R226-W229 PolarHBondContact O-N 3.22Å; W229-K231 VanDerWaalsContact C-N 3.3Å; W229-K231 PolarHBondContact O-N 3.09Å; W229-M232 PolarHBondContact O-N 3.16Å; W229-V233 HydrophobicContact CD2-CG2 4.25Å; W229-V233 HydrophobicContact CG-CG2 4.38Å; W229-V233 HydrophobicContact CZ2-CG2 4.13Å; W229-V233 WeakPolarHBondContact O-CG2 3.22Å; W229-V233 PolarHBondContact O-N 3.34Å |
| 230 | K | 94.6 | Very high | 83.6 | Confident | 122 Ų | 122 | 94.6 Ų | 94.6 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 175.7 | -175.9 | -179.8 | 66.2 | 171.6 | 0 | 112 | R226 K228 M232 V233 L234 | R226-K230 WeakPolarHBondContact O-CB 3.43Å; R226-K230 PolarHBondContact O-N 3.41Å; K228-K230 PolarHBondContact O-N 3.4Å; K230-M232 VanDerWaalsContact C-N 3.27Å; K230-M232 PolarHBondContact O-N 3.45Å; K230-V233 PolarHBondContact O-N 3.25Å; K230-L234 VanDerWaalsContact O-CB 3.25Å; K230-L234 WeakPolarHBondContact O-CB 3.36Å; K230-L234 PolarHBondContact O-N 3.39Å |
| 231 | K | 91.9 | Very high | 81.8 | Confident | 149 Ų | 149 | 97.4 Ų | 97.4 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -33.6 | 177.4 | -175 | 177.6 | 177.7 | 179.6 | 0 | 112.1 | M227 K228 W229 K235 | M227-K231 PolarHBondContact O-N 3.44Å; M227-K231 VanDerWaalsContact O-N 3.08Å; K228-K231 WeakPolarHBondContact O-CA 3.38Å; K228-K231 WeakPolarHBondContact O-CB 3.37Å; K228-K231 PolarHBondContact O-N 3.15Å; W229-K231 VanDerWaalsContact C-N 3.3Å; W229-K231 PolarHBondContact O-N 3.09Å; K231-K235 WeakPolarHBondContact O-CB 3.32Å |
| 232 | M | 89.2 | Confident | 79.7 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 30% | 0.3 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.2 | -41.9 | 177.9 | -57.6 | -159.4 | 73.6 | 0 | 0 | 111.5 | K228 W229 K230 K235 E239 | K228-M232 HydrophobicContact CG-CG 4.45Å; K228-M232 HydrophobicContact CG-SD 4.25Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.4Å; K228-M232 PolarHBondContact O-N 2.97Å; W229-M232 PolarHBondContact O-N 3.16Å; K230-M232 VanDerWaalsContact C-N 3.27Å; K230-M232 PolarHBondContact O-N 3.45Å; M232-K235 PolarHBondContact O-N 2.97Å; M232-E239 HydrophobicContact CE-CG 4.09Å; M232-E239 WeakPolarHBondContact CE-OE1 3.41Å; M232-E239 WeakPolarHBondContact CE-OE2 3.49Å |
| 233 | V | 86.6 | Confident | 77 | Confident | 89 Ų | 89 | 110.7 Ų | 110.7 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | W229 K230 K235 | W229-V233 HydrophobicContact CD2-CG2 4.25Å; W229-V233 HydrophobicContact CG-CG2 4.38Å; W229-V233 HydrophobicContact CZ2-CG2 4.13Å; W229-V233 WeakPolarHBondContact O-CG2 3.22Å; W229-V233 PolarHBondContact O-N 3.34Å; K230-V233 PolarHBondContact O-N 3.25Å; V233-K235 PolarHBondContact O-N 3.02Å |
| 234 | L | 82.1 | Confident | 74.8 | Confident | 152 Ų | 152 | 113 Ų | 113 | 80% | 0.796 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -15.9 | -176.7 | -163.4 | 66.4 | 0 | 0 | 0 | 113.2 | K230 | K230-L234 VanDerWaalsContact O-CB 3.25Å; K230-L234 WeakPolarHBondContact O-CB 3.36Å; K230-L234 PolarHBondContact O-N 3.39Å |
| 235 | K | 78.1 | Confident | 72 | Confident | 167 Ų | 167 | 117.7 Ų | 117.7 | 73% | 0.726 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 10.6 | -173.3 | -145.1 | 167.1 | -179.3 | -172.9 | 0 | 114.1 | K231 M232 V233 | K231-K235 WeakPolarHBondContact O-CB 3.32Å; M232-K235 PolarHBondContact O-N 2.97Å; V233-K235 PolarHBondContact O-N 3.02Å |
| 236 | G | 59.8 | Low | 69.4 | Low | 58 Ų | 58 | 118.7 Ų | 118.7 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | trans | 69.1 | 109.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H238 | G236-H238 PolarHBondContact O-N 2.85Š| ||
| 237 | G | 63.5 | Low | 66.8 | Low | 78 Ų | 78 | 126.7 Ų | 126.7 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -46.9 | 120.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 238 | H | 43.3 | Very low | 64.5 | Low | 173 Ų | 173 | 127.1 Ų | 127.1 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | trans | -151.4 | 111.2 | 147.8 | -159.5 | -94.4 | 0 | 0 | 0 | 107.6 | G236 | G236-H238 PolarHBondContact O-N 2.85Š| ||
| 239 | E | 49.6 | Very low | 62.2 | Low | 120 Ų | 120 | 130.8 Ų | 130.8 | 56% | 0.561 | 70% | 0.701 | S | S | * | * | trans | -92.9 | 138.5 | 170.1 | -75.1 | -87.6 | 179.6 | 0 | 0 | 108.8 | M232 | M232-E239 HydrophobicContact CE-CG 4.09Å; M232-E239 WeakPolarHBondContact CE-OE1 3.41Å; M232-E239 WeakPolarHBondContact CE-OE2 3.49Å | ||
| 240 | A | 43.8 | Very low | 59.9 | Low | 78 Ų | 78 | 134.8 Ų | 134.8 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | trans | -152.9 | 115.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T242 | A240-T242 PolarHBondContact O-N 3.3Š| ||
| 241 | P | 60.1 | Low | 57.7 | Low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | trans | -83.2 | 79.1 | 175.1 | -6.9 | 24.3 | 0 | 0 | 0 | 112 | ||||
| 242 | T | 53.9 | Low | 55.8 | Low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | -149.5 | 128.2 | 158.9 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | A240 | A240-T242 PolarHBondContact O-N 3.3Š| ||
| 243 | K | 40.5 | Very low | 54.2 | Low | 194 Ų | 194 | 139.2 Ų | 139.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 80.1 | 137.2 | 165.2 | -77.9 | 167.2 | 176.1 | 169 | 0 | 119.8 | K245 | K243-K245 PolarHBondContact O-N 2.96Š| ||
| 244 | P | 52 | Low | 52.8 | Low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -78.9 | 109.2 | 172.9 | 33.2 | -28.4 | 0 | 0 | 0 | 108.2 | ||||
| 245 | K | 40.3 | Very low | 52 | Low | 200 Ų | 200 | 134.9 Ų | 134.9 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | trans | -122.7 | 120.3 | 165.1 | -140.3 | 77.4 | 175.1 | -177.1 | 0 | 108.3 | K243 | K243-K245 PolarHBondContact O-N 2.96Š| ||
| 246 | G | 43.4 | Very low | 51.3 | Low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | -60.9 | 165.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 247 | R | 43.4 | Very low | 51.7 | Low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 41 | 109.3 | 157.4 | -159.9 | 178.4 | -169.2 | -152 | 3.8 | 116.2 | K249 | R247-K249 PolarHBondContact O-N 2.54Å; R247-K249 VanDerWaalsContact O-N 3.1Å |
| 248 | P | 48.7 | Very low | 52.1 | Low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -63.8 | 119.1 | 175.3 | 26.4 | -30.4 | 0 | 0 | 0 | 110 | K250 | P248-K250 PolarHBondContact O-N 3.46Š| ||
| 249 | K | 46.3 | Very low | 53.2 | Low | 201 Ų | 201 | 134.1 Ų | 134.1 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -67.5 | 115.9 | 158.1 | -100.1 | 176 | 171.2 | 179.4 | 0 | 106.4 | R247 | R247-K249 PolarHBondContact O-N 2.54Å; R247-K249 VanDerWaalsContact O-N 3.1Å | ||
| 250 | K | 46.9 | Very low | 54.4 | Low | 183 Ų | 183 | 133.7 Ų | 133.7 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -47.2 | 144.6 | 153.4 | 54.5 | -175.6 | -177.8 | 175.1 | 0 | 108.1 | P248 | P248-K250 PolarHBondContact O-N 3.46Š|
| 251 | N | 48.6 | Very low | 55.8 | Low | 160 Ų | 160 | 131.6 Ų | 131.6 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | trans | 122.2 | 20.8 | 177.8 | -55.4 | 4.1 | 0 | 0 | 0 | 115.2 | ||||
| 252 | S | 52.8 | Low | 56.7 | Low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | trans | -127.8 | 38.3 | 169.8 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 253 | I | 54.5 | Low | 57.9 | Low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -118.2 | 109.5 | 165.4 | -55.7 | 174.1 | 0 | 0 | 0 | 103.4 | T255 | I253-T255 PolarHBondContact O-N 3.45Š|
| 254 | P | 57 | Low | 59.8 | Low | 74 Ų | 74 | 128.9 Ų | 128.9 | 48% | 0.481 | 67% | 0.666 | S | S | . | * | trans | -51.5 | 130.2 | 171.8 | -24.2 | 33.8 | 0 | 0 | 0 | 108.3 | E258 I259 | P254-E258 VanDerWaalsContact CA-OE2 3.32Å; P254-E258 WeakPolarHBondContact CA-OE2 3.2Å; P254-E258 HydrophobicContact CB-CB 4.41Å; P254-I259 HydrophobicContact CB-CG1 4.24Å | ||
| 255 | T | 64.9 | Low | 61.1 | Low | 76 Ų | 76 | 130 Ų | 130 | 47% | 0.466 | 65% | 0.654 | S | S | . | * | trans | -63.3 | 149.8 | 179.3 | 45 | 0 | 0 | 0 | 0 | 108.7 | I253 E257 E258 I259 | I253-T255 PolarHBondContact O-N 3.45Å; T255-E257 PolarHBondContact O-N 3.36Å; T255-E258 PolarHBondContact N-OE2 3.49Å; T255-E258 WeakPolarHBondContact O-CB 3.47Å; T255-E258 PolarHBondContact O-N 3.36Å; T255-I259 PolarHBondContact O-N 3.09Å | ||
| 256 | T | 64.3 | Low | 63.1 | Low | 112 Ų | 112 | 125.3 Ų | 125.3 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -52.9 | -27.4 | 177.7 | 29.3 | 0 | 0 | 0 | 0 | 112.8 | E260 | T256-E260 WeakPolarHBondContact O-CG 3.44Å; T256-E260 PolarHBondContact O-N 3.3Å; T256-E260 VanDerWaalsContact O-N 3.1Å |
| 257 | E | 68.7 | Low | 64.9 | Low | 151 Ų | 151 | 129 Ų | 129 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.9 | -37.4 | 171.7 | -99.2 | 174.2 | 151.6 | 0 | 0 | 114.3 | T255 I259 A261 | T255-E257 PolarHBondContact O-N 3.36Å; E257-I259 VanDerWaalsContact C-N 3.33Å; E257-A261 VanDerWaalsContact O-CB 3.23Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 2.92Å |
| 258 | E | 70.7 | Confident | 66.7 | Low | 112 Ų | 112 | 124.4 Ų | 124.4 | 52% | 0.523 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.3 | -36.2 | 176.8 | -74.5 | 173.3 | 155.9 | 0 | 0 | 110.7 | P254 T255 A261 E262 | P254-E258 VanDerWaalsContact CA-OE2 3.32Å; P254-E258 WeakPolarHBondContact CA-OE2 3.2Å; P254-E258 HydrophobicContact CB-CB 4.41Å; T255-E258 PolarHBondContact N-OE2 3.49Å; T255-E258 WeakPolarHBondContact O-CB 3.47Å; T255-E258 PolarHBondContact O-N 3.36Å; E258-A261 PolarHBondContact O-N 3.18Å; E258-E262 PolarHBondContact O-N 3.4Å |
| 259 | I | 66.7 | Low | 68.2 | Low | 86 Ų | 86 | 122.9 Ų | 122.9 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.5 | -46.2 | 176.6 | -57.9 | 170.7 | 0 | 0 | 0 | 110.4 | P254 T255 E257 A261 E262 E263 | P254-I259 HydrophobicContact CB-CG1 4.24Å; T255-I259 PolarHBondContact O-N 3.09Å; E257-I259 VanDerWaalsContact C-N 3.33Å; I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.36Å; I259-E262 PolarHBondContact O-N 2.99Å; I259-E263 PolarHBondContact O-N 2.91Å; I259-E263 VanDerWaalsContact O-N 3.09Å |
| 260 | E | 74.2 | Confident | 69.7 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 51% | 0.514 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.7 | -28.8 | 176.5 | -73.6 | 179.7 | -169.3 | 0 | 0 | 113 | T256 R264 | T256-E260 WeakPolarHBondContact O-CG 3.44Å; T256-E260 PolarHBondContact O-N 3.3Å; T256-E260 VanDerWaalsContact O-N 3.1Å; E260-R264 PolarHBondContact O-N 3.36Å; E260-R264 PolarHBondContact O-NE 3.43Å |
| 261 | A | 74.1 | Confident | 71.1 | Confident | 34 Ų | 34 | 115.5 Ų | 115.5 | 28% | 0.281 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.9 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E257 E258 I259 R264 R265 | E257-A261 VanDerWaalsContact O-CB 3.23Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 2.92Å; E258-A261 PolarHBondContact O-N 3.18Å; I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.36Å; A261-R264 PolarHBondContact O-N 2.95Å; A261-R265 WeakPolarHBondContact O-CG 3.01Å; A261-R265 PolarHBondContact O-N 3.43Å |
| 262 | E | 79.8 | Confident | 72.4 | Confident | 100 Ų | 100 | 114.1 Ų | 114.1 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -41.1 | 177.1 | -151.6 | 74.1 | -113.5 | 0 | 0 | 111.6 | E258 I259 R264 R265 L266 | E258-E262 PolarHBondContact O-N 3.4Å; I259-E262 PolarHBondContact O-N 2.99Å; E262-R264 VanDerWaalsContact C-N 3.32Å; E262-R264 PolarHBondContact O-N 3.38Å; E262-R265 PolarHBondContact O-N 3.45Å; E262-R265 VanDerWaalsContact O-N 3.16Å; E262-R265 IonicContact OE1-CZ 3.47Å; E262-R265 IonicContact OE1-NH1 3.38Å; E262-R265 PolarHBondContact OE1-NH1 3.07Å; E262-R265 VanDerWaalsContact OE1-NH1 3.15Å; E262-L266 WeakPolarHBondContact O-CG 3.33Å; E262-L266 PolarHBondContact O-N 2.96Å |
| 263 | E | 77.8 | Confident | 73.2 | Confident | 130 Ų | 130 | 115.5 Ų | 115.5 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.6 | -37.7 | 174.8 | -76 | -173.9 | 168.3 | 0 | 0 | 112.4 | I259 R265 K267 | I259-E263 PolarHBondContact O-N 2.91Å; I259-E263 VanDerWaalsContact O-N 3.09Å; E263-R265 VanDerWaalsContact C-N 3.35Å; E263-K267 WeakPolarHBondContact O-CB 3.41Å; E263-K267 PolarHBondContact O-N 3.48Å |
| 264 | R | 80.7 | Confident | 73.8 | Confident | 150 Ų | 150 | 114.3 Ų | 114.3 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.4 | -35.9 | 174 | -96.8 | -179.1 | -80.8 | 110.2 | -2 | 112.7 | E260 A261 E262 M268 | E260-R264 PolarHBondContact O-N 3.36Å; E260-R264 PolarHBondContact O-NE 3.43Å; A261-R264 PolarHBondContact O-N 2.95Å; E262-R264 VanDerWaalsContact C-N 3.32Å; E262-R264 PolarHBondContact O-N 3.38Å; R264-M268 WeakPolarHBondContact O-CB 3.45Å; R264-M268 PolarHBondContact O-N 3.39Å; R264-M268 VanDerWaalsContact O-N 3.07Å |
| 265 | R | 80.2 | Confident | 74.4 | Confident | 150 Ų | 150 | 119 Ų | 119 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68 | -45.6 | 176.8 | -71.3 | 178.3 | 72.5 | -158.9 | 3.5 | 111.4 | A261 E262 E263 K267 M268 E269 | A261-R265 WeakPolarHBondContact O-CG 3.01Å; A261-R265 PolarHBondContact O-N 3.43Å; E262-R265 PolarHBondContact O-N 3.45Å; E262-R265 VanDerWaalsContact O-N 3.16Å; E262-R265 IonicContact OE1-CZ 3.47Å; E262-R265 IonicContact OE1-NH1 3.38Å; E262-R265 PolarHBondContact OE1-NH1 3.07Å; E262-R265 VanDerWaalsContact OE1-NH1 3.15Å; E263-R265 VanDerWaalsContact C-N 3.35Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.17Å; R265-M268 PolarHBondContact O-N 3.06Å; R265-M268 VanDerWaalsContact O-N 3.17Å; R265-E269 PolarHBondContact O-N 3.48Å |
| 266 | L | 81.6 | Confident | 74.4 | Confident | 102 Ų | 102 | 123.9 Ų | 123.9 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.7 | -38.9 | 176.1 | -69.8 | 171.6 | 0 | 0 | 0 | 111.9 | E262 M268 E269 E270 | E262-L266 WeakPolarHBondContact O-CG 3.33Å; E262-L266 PolarHBondContact O-N 2.96Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.35Å; L266-E269 PolarHBondContact O-N 2.91Å; L266-E270 WeakPolarHBondContact O-CB 3.4Å; L266-E270 PolarHBondContact O-N 3.1Å |
| 267 | K | 81.8 | Confident | 74.2 | Confident | 148 Ų | 148 | 122.3 Ų | 122.3 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.8 | -33.3 | 177 | -165.2 | 172.3 | -176.2 | -178.6 | 0 | 112.9 | E263 R265 E271 | E263-K267 WeakPolarHBondContact O-CB 3.41Å; E263-K267 PolarHBondContact O-N 3.48Å; R265-K267 VanDerWaalsContact C-N 3.29Å; R265-K267 PolarHBondContact O-N 3.17Å; K267-E271 PolarHBondContact O-N 3.22Å; K267-E271 VanDerWaalsContact O-N 3.11Å |
| 268 | M | 79.9 | Confident | 73.8 | Confident | 139 Ų | 139 | 119.9 Ų | 119.9 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72.8 | -38.5 | 175 | -164.6 | 171.4 | -179.1 | 0 | 0 | 111.5 | R264 R265 L266 E271 E272 | R264-M268 WeakPolarHBondContact O-CB 3.45Å; R264-M268 PolarHBondContact O-N 3.39Å; R264-M268 VanDerWaalsContact O-N 3.07Å; R265-M268 PolarHBondContact O-N 3.06Å; R265-M268 VanDerWaalsContact O-N 3.17Å; L266-M268 VanDerWaalsContact C-N 3.33Å; L266-M268 PolarHBondContact O-N 3.35Å; M268-E271 PolarHBondContact O-N 3.18Å; M268-E272 WeakPolarHBondContact O-CB 3.48Å; M268-E272 PolarHBondContact O-N 3Å |
| 269 | E | 80.4 | Confident | 73 | Confident | 98 Ų | 98 | 121.7 Ų | 121.7 | 46% | 0.458 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.2 | -36.8 | 173.2 | -77.7 | 177.4 | -178.5 | 0 | 0 | 112.5 | R265 L266 E272 Q273 | R265-E269 PolarHBondContact O-N 3.48Å; L266-E269 PolarHBondContact O-N 2.91Å; E269-E272 PolarHBondContact O-N 3.48Å; E269-Q273 WeakPolarHBondContact O-CB 3.23Å; E269-Q273 WeakPolarHBondContact O-CG 3.45Å; E269-Q273 PolarHBondContact O-N 2.98Å |
| 270 | E | 78.9 | Confident | 72.3 | Confident | 127 Ų | 127 | 125.2 Ų | 125.2 | 59% | 0.593 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.6 | -40.2 | 175.2 | -170.2 | 178.2 | -171.7 | 0 | 0 | 111.8 | L266 Q273 M274 | L266-E270 WeakPolarHBondContact O-CB 3.4Å; L266-E270 PolarHBondContact O-N 3.1Å; E270-Q273 PolarHBondContact O-N 3.11Å; E270-M274 WeakPolarHBondContact O-CB 3.46Å; E270-M274 PolarHBondContact O-N 3.01Å |
| 271 | E | 75.6 | Confident | 71.1 | Confident | 101 Ų | 101 | 125 Ų | 125 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.3 | -35.9 | 175.2 | -161.8 | -175.4 | 152.2 | 0 | 0 | 111.9 | K267 M268 M274 R275 | K267-E271 PolarHBondContact O-N 3.22Å; K267-E271 VanDerWaalsContact O-N 3.11Å; M268-E271 PolarHBondContact O-N 3.18Å; E271-M274 PolarHBondContact O-N 2.95Å; E271-R275 WeakPolarHBondContact O-CG 3.41Å; E271-R275 PolarHBondContact O-N 2.74Å; E271-R275 IonicContact OE1-CZ 3.33Å; E271-R275 IonicContact OE1-NE 2.72Å; E271-R275 PolarHBondContact OE1-NE 3.35Å; E271-R275 IonicContact OE1-NH2 3.26Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å |
| 272 | E | 75.3 | Confident | 69.7 | Low | 132 Ų | 132 | 132.7 Ų | 132.7 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.5 | -39.1 | 174.6 | -170 | 172.4 | -178.7 | 0 | 0 | 112.1 | M268 E269 R275 K276 | M268-E272 WeakPolarHBondContact O-CB 3.48Å; M268-E272 PolarHBondContact O-N 3Å; E269-E272 PolarHBondContact O-N 3.48Å; E272-R275 PolarHBondContact O-N 3.4Å; E272-K276 WeakPolarHBondContact O-CB 3.33Å; E272-K276 PolarHBondContact O-N 3.11Å |
| 273 | Q | 69.8 | Low | 67.7 | Low | 141 Ų | 141 | 134.8 Ų | 134.8 | 66% | 0.659 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.4 | -38.8 | 172.2 | -78.6 | -176.9 | 29.5 | 0 | 0 | 112.3 | E269 E270 K276 A277 | E269-Q273 WeakPolarHBondContact O-CB 3.23Å; E269-Q273 WeakPolarHBondContact O-CG 3.45Å; E269-Q273 PolarHBondContact O-N 2.98Å; E270-Q273 PolarHBondContact O-N 3.11Å; Q273-K276 PolarHBondContact O-N 3.34Å; Q273-A277 PolarHBondContact O-N 3.42Å; Q273-A277 VanDerWaalsContact O-N 3.09Å |
| 274 | M | 67.8 | Low | 66.1 | Low | 128 Ų | 128 | 135.7 Ų | 135.7 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.9 | -35.7 | 177.1 | -168.1 | -178.7 | -65.7 | 0 | 0 | 112.3 | E270 E271 A277 S278 | E270-M274 WeakPolarHBondContact O-CB 3.46Å; E270-M274 PolarHBondContact O-N 3.01Å; E271-M274 PolarHBondContact O-N 2.95Å; M274-A277 PolarHBondContact O-N 3.37Å; M274-S278 PolarHBondContact O-OG 3.42Å |
| 275 | R | 69.8 | Low | 64.1 | Low | 173 Ų | 173 | 134.4 Ų | 134.4 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68 | -40.2 | 173.4 | -73.8 | 172.4 | -175.7 | -99.4 | 0.5 | 111.9 | E271 E272 A277 S278 | E271-R275 WeakPolarHBondContact O-CG 3.41Å; E271-R275 PolarHBondContact O-N 2.74Å; E271-R275 IonicContact OE1-CZ 3.33Å; E271-R275 IonicContact OE1-NE 2.72Å; E271-R275 PolarHBondContact OE1-NE 3.35Å; E271-R275 IonicContact OE1-NH2 3.26Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å; E272-R275 PolarHBondContact O-N 3.4Å; R275-A277 VanDerWaalsContact C-N 3.27Å; R275-A277 PolarHBondContact O-N 3.41Å; R275-S278 PolarHBondContact O-N 3.22Å |
| 276 | K | 65 | Low | 62.3 | Low | 178 Ų | 178 | 132.8 Ų | 132.8 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.6 | -23.4 | 178.4 | -159.2 | 174.3 | -176.7 | -179.4 | 0 | 113.3 | E272 Q273 S278 | E272-K276 WeakPolarHBondContact O-CB 3.33Å; E272-K276 PolarHBondContact O-N 3.11Å; Q273-K276 PolarHBondContact O-N 3.34Å; K276-S278 VanDerWaalsContact C-N 3.33Å |
| 277 | A | 60 | Low | 60.3 | Low | 78 Ų | 78 | 136.5 Ų | 136.5 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -8.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q273 M274 R275 | Q273-A277 PolarHBondContact O-N 3.42Å; Q273-A277 VanDerWaalsContact O-N 3.09Å; M274-A277 PolarHBondContact O-N 3.37Å; R275-A277 VanDerWaalsContact C-N 3.27Å; R275-A277 PolarHBondContact O-N 3.41Å |
| 278 | S | 59.3 | Low | 58.5 | Low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | 0.5 | -178.5 | -64.1 | 0 | 0 | 0 | 0 | 114.4 | M274 R275 K276 | M274-S278 PolarHBondContact O-OG 3.42Å; R275-S278 PolarHBondContact O-N 3.22Å; K276-S278 VanDerWaalsContact C-N 3.33Å |
| 279 | D | 54.9 | Low | 56.3 | Low | 150 Ų | 150 | 137.6 Ų | 137.6 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | -118.9 | 29.5 | -174.7 | -127.4 | 1.5 | 0 | 0 | 0 | 112.5 | P281 | D279-P281 WeakPolarHBondContact O-CD 3.32Š| ||
| 280 | E | 50.8 | Low | 54.4 | Low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | -90 | 112.8 | 169.1 | -111.7 | -71.3 | 122 | 0 | 0 | 109.4 | Q282 | E280-Q282 PolarHBondContact O-N 2.99Š| ||
| 281 | P | 50.2 | Low | 53 | Low | 105 Ų | 105 | 137.8 Ų | 137.8 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -72.1 | 112.3 | 176.8 | 27.1 | -30 | 0 | 0 | 0 | 110.2 | D279 D283 | D279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-D283 PolarHBondContact O-N 3.19Å | ||
| 282 | Q | 44.8 | Very low | 51.1 | Low | 196 Ų | 196 | 139 Ų | 139 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -70.8 | 105.1 | 165.6 | -68.7 | -157.2 | -35.7 | 0 | 0 | 109.8 | E280 | E280-Q282 PolarHBondContact O-N 2.99Š| ||
| 283 | D | 36.9 | Very low | 49.1 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -94 | 107.9 | 166.7 | -144.5 | -1.6 | 0 | 0 | 0 | 110.3 | P281 | P281-D283 PolarHBondContact O-N 3.19Š| ||
| 284 | L | 45.7 | Very low | 47.5 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | 16.2 | 119.5 | 147.7 | -65.8 | 159.5 | 0 | 0 | 0 | 119.1 | ||||
| 285 | S | 37.7 | Very low | 46.2 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | 167.5 | 116.6 | 98.7 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 286 | S | 42.5 | Very low | 45 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -100.6 | 115.2 | 159.5 | 45.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 287 | E | 39.6 | Very low | 43.7 | Very low | 181 Ų | 181 | 129.9 Ų | 129.9 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -135.9 | 119 | 153.2 | -83.1 | -136.4 | 111.8 | 0 | 0 | 110.4 | ||||
| 288 | T | 42.9 | Very low | 42.8 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | -53.7 | 126.1 | 163.4 | 27.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 289 | H | 35.1 | Very low | 41.9 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -151.6 | 113.8 | 148 | -110.6 | -80.4 | 0 | 0 | 0 | 110.1 | ||||
| 290 | S | 40.8 | Very low | 41.3 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 148 | 149.8 | -72.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 291 | P | 48.5 | Very low | 40.7 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -145.7 | 145.2 | 101.7 | 33.1 | -15.2 | 0 | 0 | 0 | 115.6 | |||||
| 292 | S | 36.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | 21.6 | 128.9 | 133.3 | -159.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 293 | G | 33 | Very low | 40 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 147.1 | 103 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 294 | A | 36.1 | Very low | 41.1 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 74.7 | 120.7 | 135 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 295 | I | 40.4 | Very low | 40.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | 66.2 | 119.2 | 127.8 | -55.9 | 175.9 | 0 | 0 | 0 | 115.6 | |||||
| 296 | E | 45 | Very low | 41.7 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | -176.2 | 131.6 | 63 | -135.5 | 155.8 | -165.9 | 0 | 0 | 104.9 | |||||
| 297 | G | 37.5 | Very low | 41.7 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | 97.7 | 133.7 | 81.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 298 | L | 41.2 | Very low | 41.9 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | 91.8 | 84.6 | -179.7 | -56.9 | 163.4 | 0 | 0 | 0 | 113.9 | ||||
| 299 | E | 40.2 | Very low | 42 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 55.9 | 97.2 | 54.1 | -101.6 | -175 | 117.2 | 0 | 0 | 114.6 | |||||
| 300 | Q | 41.4 | Very low | 42.6 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | 179.2 | 88.8 | 127.4 | -98.5 | 172.6 | -7.2 | 0 | 0 | 106.6 | |||||
| 301 | E | 39.6 | Very low | 42.8 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | 64.4 | 99.5 | 72.4 | -167.7 | 130.4 | 104.1 | 0 | 0 | 113.9 | |||||
| 302 | Q | 40.3 | Very low | 43.1 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 62.3 | 147.9 | 132.5 | -67 | 167.4 | 19.9 | 0 | 0 | 119.4 | ||||
| 303 | Q | 39.8 | Very low | 43.8 | Very low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | cis | -161.4 | 170.8 | 10.2 | -124.3 | 169.8 | 15.7 | 0 | 0 | 108.2 | ||||
| 304 | P | 58.5 | Low | 45 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | -97.6 | -171.7 | -177.3 | 34.1 | -20.6 | 0 | 0 | 0 | 113.2 | ||||
| 305 | L | 42.9 | Very low | 45.4 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 104.7 | 165.8 | 160.7 | -51.1 | -177.7 | 0 | 0 | 0 | 116.1 | ||||
| 306 | P | 54.6 | Low | 45.7 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | -141.6 | -178.7 | -70.2 | 45.3 | -28.5 | 0 | 0 | 0 | 113.5 | |||||
| 307 | M | 42.1 | Very low | 45.7 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | 66.6 | 158.1 | 151.5 | -64.6 | -62.3 | -80.2 | 0 | 0 | 122.6 | ||||
| 308 | S | 43.9 | Very low | 46.2 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | 85.7 | 105.8 | 166.2 | 70.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 309 | E | 43.8 | Very low | 46.5 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 104.6 | 126.1 | 66.7 | -97.5 | -172.2 | 137.7 | 0 | 0 | 110.6 | |||||
| 310 | T | 48.3 | Very low | 46.9 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | trans | 11 | 132 | 148.4 | 54 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 311 | H | 46.2 | Very low | 47.3 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | -157.3 | 135.2 | 124.9 | -109.3 | -79.5 | 0 | 0 | 0 | 113 | |||||
| 312 | L | 53.5 | Low | 47.9 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -58.7 | 149.2 | 162.2 | -97.7 | 80.2 | 0 | 0 | 0 | 112.4 | ||||
| 313 | A | 51.9 | Low | 48.5 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -162.3 | 111.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 314 | S | 56.8 | Low | 49.3 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 100% | 1.385 | 83% | 0.826 | S | S | * | * | 65.9 | 0 | 88.8 | -81.7 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 314 of 314 residues in 140.5 ms
(Link to these results)