| 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 | 38.5 | Very low | 43.2 | Very low | 250 Ų | 250 | 126.1 Ų | 126.1 | 100% | 1.232 | 79% | 0.793 | S | S | * | * | 0 | 126.6 | 0 | -66.2 | 167.6 | 167.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 38.1 | Very low | 42.3 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -154.3 | 147.6 | -22.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | S | 45 | Very low | 41.3 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -76.9 | 171.7 | 171.1 | -128.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | P | 54.1 | Low | 40.8 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | -149.4 | 170.4 | 51.2 | 43.3 | -22.7 | 0 | 0 | 0 | 119.1 | |||||
| 5 | A | 43.8 | Very low | 41.2 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | trans | -96.7 | -154.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | P | 62.8 | Low | 40.8 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -127.5 | -145.9 | -13.6 | 45.4 | -25.9 | 0 | 0 | 0 | 109.4 | ||||
| 7 | P | 51.7 | Low | 41.3 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -118.2 | 163.4 | -9.6 | 29.9 | -6.8 | 0 | 0 | 0 | 114.1 | ||||
| 8 | E | 38.2 | Very low | 40.8 | Very low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | 60 | 138.9 | 59.7 | -75.8 | -163.8 | 111.7 | 0 | 0 | 113.6 | |||||
| 9 | H | 35.4 | Very low | 40.3 | Very low | 163 Ų | 163 | 121.1 Ų | 121.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | cis | -142.7 | 179.3 | 14.9 | -76.9 | -51.3 | 0 | 0 | 0 | 108.9 | ||||
| 10 | A | 34 | Very low | 39.8 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | cis | -175 | -179.2 | -28.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 11 | A | 34.1 | Very low | 39.4 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 68.5 | 119.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 12 | E | 31.8 | Very low | 39 | Very low | 197 Ų | 197 | 122.8 Ų | 122.8 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | 87.1 | 128.7 | 56.5 | -173 | 179.1 | -166.8 | 0 | 0 | 112 | |||||
| 13 | G | 29.3 | Very low | 38.9 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | cis | -170.6 | -177.8 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 14 | C | 34.5 | Very low | 38.9 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -92.3 | 169.6 | 164.9 | -77.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 15 | P | 46.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -149.1 | -163 | 33.5 | 41.5 | -17.6 | 0 | 0 | 0 | 116.9 | ||||
| 16 | A | 34.1 | Very low | 37.5 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -86.6 | -166.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 17 | P | 50.5 | Low | 36.8 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -140.8 | -167.6 | -7.2 | 41.4 | -20.7 | 0 | 0 | 0 | 116.3 | ||||
| 18 | A | 31.3 | Very low | 37 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 90.2 | 151.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 19 | A | 31 | Very low | 37.5 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 65.8 | 112.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 20 | E | 31.2 | Very low | 38 | Very low | 194 Ų | 194 | 122.7 Ų | 122.7 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | 74 | 124 | 87.2 | -77.3 | -168.8 | 114.3 | 0 | 0 | 115.5 | |||||
| 21 | E | 30.6 | Very low | 38.8 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | 164.7 | 134.2 | 118.2 | -172.4 | 153 | 107.4 | 0 | 0 | 115.1 | |||||
| 22 | Q | 30.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 71.6 | 142.5 | 155.9 | -79.1 | 159 | 37.5 | 0 | 0 | 124.8 | ||||
| 23 | A | 36 | Very low | 40.1 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -119 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 24 | P | 44.5 | Very low | 41 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | -156.3 | 155.2 | 99.6 | 37.7 | -18.3 | 0 | 0 | 0 | 119.4 | |||||
| 25 | L | 36.8 | Very low | 41.6 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 36.2 | 122 | 147.1 | -80 | 142.2 | 0 | 0 | 0 | 121.1 | ||||
| 26 | S | 33.2 | Very low | 41.5 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | 159.5 | 177.6 | 73 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 27 | P | 47.9 | Very low | 42.1 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -122.2 | -177.2 | -22.9 | 42 | -26.6 | 0 | 0 | 0 | 113.4 | ||||
| 28 | P | 56 | Low | 41.8 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -102.9 | 148.1 | -179.3 | 38 | -32.7 | 0 | 0 | 0 | 115.3 | ||||
| 29 | P | 47.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | -154.5 | -173.3 | 124.2 | 40.1 | -23.1 | 0 | 0 | 0 | 113.9 | |||||
| 30 | P | 46.9 | Very low | 43.1 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | cis | -114.6 | 174.8 | -45.3 | 36.9 | -23.9 | 0 | 0 | 0 | 111.9 | ||||
| 31 | Q | 49.3 | Very low | 44 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 94% | 0.935 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 137.6 | 172.5 | -71.5 | 176.7 | -19.2 | 0 | 0 | 112.2 | ||
| 32 | A | 43.8 | Very low | 44.8 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 155.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 33 | P | 49.5 | Very low | 45.4 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 162.5 | -163.9 | 32 | -36.1 | 0 | 0 | 0 | 114.7 | G35 | P33-G35 VanDerWaalsContact C-N 3.29Å; P33-G35 PolarHBondContact O-N 2.89Å |
| 34 | P | 49.8 | Very low | 46 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 70.7 | -176.6 | 34.8 | -36.8 | 0 | 0 | 0 | 112.1 | ||
| 35 | G | 46.7 | Very low | 46.2 | Very low | 46 Ų | 46 | 132.7 Ų | 132.7 | 47% | 0.474 | 73% | 0.729 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.5 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P33 | P33-G35 VanDerWaalsContact C-N 3.29Å; P33-G35 PolarHBondContact O-N 2.89Å |
| 36 | E | 44.5 | Very low | 46.6 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -86.3 | -12.3 | -165.9 | -62.8 | -177.8 | 123.1 | 0 | 0 | 114.7 | Q38 | E36-Q38 VanDerWaalsContact C-N 3.33Å; E36-Q38 PolarHBondContact O-N 3.45Å |
| 37 | R | 45.9 | Very low | 47.1 | Very low | 206 Ų | 206 | 130 Ų | 130 | 78% | 0.777 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -73.7 | -20.4 | -176.7 | -144.4 | -159.4 | -66.2 | 174 | -1.3 | 114.1 | ||
| 38 | Q | 45.5 | Very low | 46.9 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -83.8 | -37.1 | -179.4 | -69.5 | -173.4 | -62 | 0 | 0 | 112.8 | E36 Q40 E42 | E36-Q38 VanDerWaalsContact C-N 3.33Å; E36-Q38 PolarHBondContact O-N 3.45Å; Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 3.29Å; Q38-E42 PolarHBondContact O-N 3.39Å |
| 39 | Q | 45.1 | Very low | 46.3 | Very low | 142 Ų | 142 | 125 Ų | 125 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.5 | -34.4 | 177.7 | -74 | 178.8 | -46.9 | 0 | 0 | 112.3 | E42 E43 | Q39-E42 PolarHBondContact O-N 3.43Å; Q39-E43 WeakPolarHBondContact O-CB 3.44Å; Q39-E43 PolarHBondContact O-N 3.07Å; Q39-E43 VanDerWaalsContact O-N 3.07Å |
| 40 | Q | 44.9 | Very low | 46.1 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 71% | 0.71 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.3 | -22.5 | -177.7 | -146.3 | 169.6 | 35.4 | 0 | 0 | 114.1 | Q38 A44 | Q38-Q40 VanDerWaalsContact C-N 3.33Å; Q38-Q40 PolarHBondContact O-N 3.29Å; Q40-A44 WeakPolarHBondContact O-CB 3.42Å |
| 41 | E | 48.6 | Very low | 45.9 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.4 | -35.3 | 169.8 | -93.1 | 178.2 | 130.5 | 0 | 0 | 111.8 | Q45 | E41-Q45 WeakPolarHBondContact O-CB 3.43Å; E41-Q45 PolarHBondContact O-N 3.3Å |
| 42 | E | 48.6 | Very low | 45.4 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 67% | 0.673 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.7 | -44.3 | -179.5 | -155.3 | 164.4 | -170.4 | 0 | 0 | 111.6 | Q38 Q39 A44 Q45 E46 | Q38-E42 PolarHBondContact O-N 3.39Å; Q39-E42 PolarHBondContact O-N 3.43Å; E42-A44 PolarHBondContact O-N 3.15Å; E42-Q45 PolarHBondContact O-N 3.2Å; E42-E46 PolarHBondContact O-N 3.44Å; E42-E46 VanDerWaalsContact O-N 3.15Å |
| 43 | E | 42.6 | Very low | 45.2 | Very low | 148 Ų | 148 | 114.8 Ų | 114.8 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.3 | -33.4 | 178.8 | -160.6 | 175.2 | -166 | 0 | 0 | 112.7 | Q39 Q45 A47 | Q39-E43 WeakPolarHBondContact O-CB 3.44Å; Q39-E43 PolarHBondContact O-N 3.07Å; Q39-E43 VanDerWaalsContact O-N 3.07Å; E43-Q45 VanDerWaalsContact C-N 3.35Å; E43-A47 PolarHBondContact O-N 3.32Å |
| 44 | A | 49.2 | Very low | 44.8 | Very low | 68 Ų | 68 | 111.7 Ų | 111.7 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71 | -29.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q40 E42 | Q40-A44 WeakPolarHBondContact O-CB 3.42Å; E42-A44 PolarHBondContact O-N 3.15Å |
| 45 | Q | 47.1 | Very low | 44.5 | Very low | 158 Ų | 158 | 111 Ų | 111 | 74% | 0.738 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.1 | -28.2 | -177.7 | -159.5 | 161.7 | 13.8 | 0 | 0 | 112.4 | E41 E42 E43 | E41-Q45 WeakPolarHBondContact O-CB 3.43Å; E41-Q45 PolarHBondContact O-N 3.3Å; E42-Q45 PolarHBondContact O-N 3.2Å; E43-Q45 VanDerWaalsContact C-N 3.35Å |
| 46 | E | 45.4 | Very low | 44.5 | Very low | 152 Ų | 152 | 115.9 Ų | 115.9 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.4 | -39.4 | 172.9 | -163.5 | 169.6 | -163.1 | 0 | 0 | 112.2 | E42 G48 A49 A50 | E42-E46 PolarHBondContact O-N 3.44Å; E42-E46 VanDerWaalsContact O-N 3.15Å; E46-G48 PolarHBondContact O-N 3.4Å; E46-A49 PolarHBondContact O-N 3.32Å; E46-A50 PolarHBondContact O-N 3.45Å |
| 47 | A | 44.8 | Very low | 44.6 | Very low | 61 Ų | 61 | 113.7 Ų | 113.7 | 50% | 0.504 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.4 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | E43 A49 A50 E51 | E43-A47 PolarHBondContact O-N 3.32Å; A47-A49 VanDerWaalsContact C-N 3.28Å; A47-A49 PolarHBondContact O-N 3.32Å; A47-A50 PolarHBondContact O-N 3.47Å; A47-E51 PolarHBondContact O-N 3.45Å |
| 48 | G | 42.9 | Very low | 44.7 | Very low | 55 Ų | 55 | 111.2 Ų | 111.2 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.4 | -23.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E46 | E46-G48 PolarHBondContact O-N 3.4Å |
| 49 | A | 44.2 | Very low | 44.9 | Very low | 76 Ų | 76 | 109.1 Ų | 109.1 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81 | -32.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E46 A47 | E46-A49 PolarHBondContact O-N 3.32Å; A47-A49 VanDerWaalsContact C-N 3.28Å; A47-A49 PolarHBondContact O-N 3.32Å |
| 50 | A | 42.6 | Very low | 45.1 | Very low | 75 Ų | 75 | 105.1 Ų | 105.1 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.5 | -40.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E46 A47 G53 | E46-A50 PolarHBondContact O-N 3.45Å; A47-A50 PolarHBondContact O-N 3.47Å; A50-G53 PolarHBondContact O-N 3.46Å |
| 51 | E | 41.9 | Very low | 45.2 | Very low | 156 Ų | 156 | 100.6 Ų | 100.6 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.3 | -37.6 | -175.1 | -158.2 | 178.1 | 156.6 | 0 | 0 | 112.6 | A47 G53 G54 | A47-E51 PolarHBondContact O-N 3.45Å; E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.44Å; E51-G54 PolarHBondContact O-N 3.34Å |
| 52 | G | 38.9 | Very low | 45.2 | Very low | 41 Ų | 41 | 96 Ų | 96 | 42% | 0.423 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.7 | -22.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 53 | G | 39.8 | Very low | 45.5 | Very low | 41 Ų | 41 | 97.5 Ų | 97.5 | 42% | 0.423 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -79.9 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A50 E51 V57 | A50-G53 PolarHBondContact O-N 3.46Å; E51-G53 VanDerWaalsContact C-N 3.29Å; E51-G53 PolarHBondContact O-N 3.44Å; G53-V57 WeakPolarHBondContact O-CG2 3.41Å; G53-V57 PolarHBondContact O-N 3.46Å |
| 54 | G | 40.8 | Very low | 45.9 | Very low | 42 Ų | 42 | 93 Ų | 93 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -49 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E51 Q56 V57 E58 | E51-G54 PolarHBondContact O-N 3.34Å; G54-Q56 VanDerWaalsContact C-N 3.34Å; G54-Q56 PolarHBondContact O-N 3.06Å; G54-V57 PolarHBondContact O-N 2.96Å; G54-E58 PolarHBondContact O-N 3.1Å |
| 55 | L | 45.4 | Very low | 45.9 | Very low | 129 Ų | 129 | 92.4 Ų | 92.4 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.8 | -38.9 | -174.1 | -129.7 | 79.9 | 0 | 0 | 0 | 113.4 | E59 | L55-E59 PolarHBondContact O-N 3.3Å |
| 56 | Q | 44.8 | Very low | 46.3 | Very low | 148 Ų | 148 | 87.4 Ų | 87.4 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.1 | -34 | 180 | -69.5 | -175 | 54.7 | 0 | 0 | 112.7 | G54 A60 | G54-Q56 VanDerWaalsContact C-N 3.34Å; G54-Q56 PolarHBondContact O-N 3.06Å; Q56-A60 VanDerWaalsContact O-CB 3.26Å; Q56-A60 WeakPolarHBondContact O-CB 3.26Å; Q56-A60 PolarHBondContact O-N 3.21Å; Q56-A60 VanDerWaalsContact O-N 3.1Å |
| 57 | V | 48 | Very low | 46.6 | Very low | 103 Ų | 103 | 82.4 Ų | 82.4 | 62% | 0.624 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.8 | -37 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | G53 G54 A61 | G53-V57 WeakPolarHBondContact O-CG2 3.41Å; G53-V57 PolarHBondContact O-N 3.46Å; G54-V57 PolarHBondContact O-N 2.96Å; V57-A61 WeakPolarHBondContact O-CB 3.21Å; V57-A61 PolarHBondContact O-N 3.39Å |
| 58 | E | 48.1 | Very low | 46.8 | Very low | 153 Ų | 153 | 83.5 Ų | 83.5 | 72% | 0.715 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.2 | -40.3 | 177.4 | -157.4 | 177.1 | 141.8 | 0 | 0 | 112.4 | G54 A61 G62 | G54-E58 PolarHBondContact O-N 3.1Å; E58-A61 PolarHBondContact O-N 2.86Å; E58-G62 PolarHBondContact O-N 2.68Å |
| 59 | E | 50.1 | Low | 47.2 | Very low | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 174.2 | -155.1 | -156.8 | 139.2 | 0 | 0 | 112 | L55 G62 R63 | L55-E59 PolarHBondContact O-N 3.3Å; E59-G62 PolarHBondContact O-N 2.86Å; E59-R63 WeakPolarHBondContact O-CG 3.24Å; E59-R63 PolarHBondContact O-N 2.93Å; E59-R63 IonicContact OE1-CZ 3.19Å; E59-R63 IonicContact OE1-NE 2.86Å; E59-R63 PolarHBondContact OE1-NE 2.89Å; E59-R63 IonicContact OE1-NH2 2.68Å; E59-R63 PolarHBondContact OE1-NH2 3.49Å |
| 60 | A | 48.5 | Very low | 47.7 | Very low | 59 Ų | 59 | 90.5 Ų | 90.5 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q56 R63 A64 | Q56-A60 VanDerWaalsContact O-CB 3.26Å; Q56-A60 WeakPolarHBondContact O-CB 3.26Å; Q56-A60 PolarHBondContact O-N 3.21Å; Q56-A60 VanDerWaalsContact O-N 3.1Å; A60-R63 PolarHBondContact O-N 3.42Å; A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 2.91Å |
| 61 | A | 47.8 | Very low | 47.9 | Very low | 56 Ų | 56 | 93.2 Ų | 93.2 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V57 E58 A64 A65 | V57-A61 WeakPolarHBondContact O-CB 3.21Å; V57-A61 PolarHBondContact O-N 3.39Å; E58-A61 PolarHBondContact O-N 2.86Å; A61-A64 PolarHBondContact O-N 2.86Å; A61-A65 VanDerWaalsContact O-CB 3.24Å; A61-A65 WeakPolarHBondContact O-CB 3.44Å; A61-A65 PolarHBondContact O-N 2.8Å |
| 62 | G | 48.3 | Very low | 48.2 | Very low | 41 Ų | 41 | 91.2 Ų | 91.2 | 42% | 0.423 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E58 E59 A66 | E58-G62 PolarHBondContact O-N 2.68Å; E59-G62 PolarHBondContact O-N 2.86Å; G62-A66 VanDerWaalsContact O-CB 3.23Å; G62-A66 WeakPolarHBondContact O-CB 3.29Å; G62-A66 PolarHBondContact O-N 3.46Å |
| 63 | R | 54 | Low | 48.4 | Very low | 174 Ų | 174 | 90.2 Ų | 90.2 | 66% | 0.657 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.9 | -38.3 | 174.4 | -71.8 | -178.2 | -171.4 | -126.2 | 7.4 | 112.6 | E59 A60 A66 A67 | E59-R63 WeakPolarHBondContact O-CG 3.24Å; E59-R63 PolarHBondContact O-N 2.93Å; E59-R63 IonicContact OE1-CZ 3.19Å; E59-R63 IonicContact OE1-NE 2.86Å; E59-R63 PolarHBondContact OE1-NE 2.89Å; E59-R63 IonicContact OE1-NH2 2.68Å; E59-R63 PolarHBondContact OE1-NH2 3.49Å; A60-R63 PolarHBondContact O-N 3.42Å; R63-A66 PolarHBondContact O-N 2.81Å; R63-A67 VanDerWaalsContact O-CB 3.29Å; R63-A67 WeakPolarHBondContact O-CB 3.23Å; R63-A67 PolarHBondContact O-N 3.35Å |
| 64 | A | 50.5 | Low | 48.8 | Very low | 55 Ų | 55 | 93.9 Ų | 93.9 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A60 A61 A67 V68 | A60-A64 WeakPolarHBondContact O-CB 3.39Å; A60-A64 PolarHBondContact O-N 2.91Å; A61-A64 PolarHBondContact O-N 2.86Å; A64-A67 PolarHBondContact O-N 3.32Å; A64-V68 WeakPolarHBondContact O-CB 3.32Å; A64-V68 WeakPolarHBondContact O-CG2 3.47Å; A64-V68 PolarHBondContact O-N 2.67Å |
| 65 | A | 50.9 | Low | 49.3 | Very low | 54 Ų | 54 | 95.2 Ų | 95.2 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A61 V68 T69 | A61-A65 VanDerWaalsContact O-CB 3.24Å; A61-A65 WeakPolarHBondContact O-CB 3.44Å; A61-A65 PolarHBondContact O-N 2.8Å; A65-V68 PolarHBondContact O-N 2.84Å; A65-T69 VanDerWaalsContact O-CB 3.29Å; A65-T69 WeakPolarHBondContact O-CB 3.11Å; A65-T69 PolarHBondContact O-N 2.89Å; A65-T69 PolarHBondContact O-OG1 3.44Å |
| 66 | A | 53.9 | Low | 49.4 | Very low | 54 Ų | 54 | 93.8 Ų | 93.8 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G62 R63 T69 W70 | G62-A66 VanDerWaalsContact O-CB 3.23Å; G62-A66 WeakPolarHBondContact O-CB 3.29Å; G62-A66 PolarHBondContact O-N 3.46Å; R63-A66 PolarHBondContact O-N 2.81Å; A66-T69 PolarHBondContact O-N 2.88Å; A66-W70 WeakPolarHBondContact O-CB 3.34Å; A66-W70 PolarHBondContact O-N 3.34Å |
| 67 | A | 52.4 | Low | 49.5 | Very low | 47 Ų | 47 | 92.5 Ų | 92.5 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R63 A64 T69 W70 L71 | R63-A67 VanDerWaalsContact O-CB 3.29Å; R63-A67 WeakPolarHBondContact O-CB 3.23Å; R63-A67 PolarHBondContact O-N 3.35Å; A64-A67 PolarHBondContact O-N 3.32Å; A67-T69 VanDerWaalsContact C-N 3.34Å; A67-W70 PolarHBondContact O-N 2.85Å; A67-L71 WeakPolarHBondContact O-CB 3.33Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 3.32Å |
| 68 | V | 50 | Low | 49.5 | Very low | 84 Ų | 84 | 95.7 Ų | 95.7 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A64 A65 L71 L72 | A64-V68 WeakPolarHBondContact O-CB 3.32Å; A64-V68 WeakPolarHBondContact O-CG2 3.47Å; A64-V68 PolarHBondContact O-N 2.67Å; A65-V68 PolarHBondContact O-N 2.84Å; V68-L71 PolarHBondContact O-N 2.86Å; V68-L72 PolarHBondContact O-N 2.92Å |
| 69 | T | 50.9 | Low | 49.4 | Very low | 95 Ų | 95 | 94.2 Ų | 94.2 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | I | π-helix | trans | -67.6 | -35.4 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | A65 A66 A67 G73 | A65-T69 VanDerWaalsContact O-CB 3.29Å; A65-T69 WeakPolarHBondContact O-CB 3.11Å; A65-T69 PolarHBondContact O-N 2.89Å; A65-T69 PolarHBondContact O-OG1 3.44Å; A66-T69 PolarHBondContact O-N 2.88Å; A67-T69 VanDerWaalsContact C-N 3.34Å; T69-G73 WeakPolarHBondContact O-CA 3.29Å; T69-G73 PolarHBondContact O-N 3.38Å |
| 70 | W | 53.6 | Low | 49.3 | Very low | 183 Ų | 183 | 90.6 Ų | 90.6 | 69% | 0.693 | 52% | 0.52 | S | S | * | . | I | π-helix | trans | -69.6 | -42.4 | 171.9 | -108.8 | 75.9 | 0 | 0 | 0 | 112.7 | A66 A67 | A66-W70 WeakPolarHBondContact O-CB 3.34Å; A66-W70 PolarHBondContact O-N 3.34Å; A67-W70 PolarHBondContact O-N 2.85Å |
| 71 | L | 48.2 | Very low | 49.3 | Very low | 131 Ų | 131 | 91.9 Ų | 91.9 | 69% | 0.686 | 52% | 0.524 | S | S | * | . | I | π-helix | trans | -76.7 | -32.6 | -175.6 | -76 | 165.4 | 0 | 0 | 0 | 114.1 | A67 V68 | A67-L71 WeakPolarHBondContact O-CB 3.33Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 3.32Å; V68-L71 PolarHBondContact O-N 2.86Å |
| 72 | L | 46.5 | Very low | 49.3 | Very low | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | I | π-helix | trans | -103.3 | -29.4 | 176.9 | -91.2 | 69.7 | 0 | 0 | 0 | 113.5 | V68 V76 | V68-L72 PolarHBondContact O-N 2.92Å; L72-V76 WeakPolarHBondContact O-CB 3.5Å; L72-V76 WeakPolarHBondContact O-CG2 3.26Å |
| 73 | G | 43.8 | Very low | 49.1 | Very low | 19 Ų | 19 | 96.4 Ų | 96.4 | 20% | 0.196 | 53% | 0.527 | C | S | . | . | I | π-helix | trans | -71.9 | -53.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | T69 V76 L77 | T69-G73 WeakPolarHBondContact O-CA 3.29Å; T69-G73 PolarHBondContact O-N 3.38Å; G73-V76 PolarHBondContact O-N 3.29Å; G73-L77 VanDerWaalsContact O-CB 3.24Å; G73-L77 WeakPolarHBondContact O-CB 3.38Å; G73-L77 WeakPolarHBondContact O-CG 3.32Å; G73-L77 PolarHBondContact O-N 3.48Å |
| 74 | E | 49.3 | Very low | 48.7 | Very low | 119 Ų | 119 | 92.8 Ų | 92.8 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -51.4 | -176.2 | -66.2 | -135.1 | 139.6 | 0 | 0 | 114.1 | V76 L77 W78 | E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.39Å; E74-L77 PolarHBondContact O-N 3.3Å; E74-W78 WeakPolarHBondContact O-CB 3.25Å; E74-W78 PolarHBondContact O-N 3.25Å |
| 75 | P | 50.6 | Low | 48.4 | Very low | 70 Ų | 70 | 95.2 Ų | 95.2 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | -178.9 | 25.2 | -33.8 | 0 | 0 | 0 | 113.1 | L79 | P75-L79 WeakPolarHBondContact O-CB 2.95Å; P75-L79 PolarHBondContact O-N 3.4Å |
| 76 | V | 46.5 | Very low | 48.1 | Very low | 99 Ų | 99 | 95.8 Ų | 95.8 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.5 | -40 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | L72 G73 E74 G80 | L72-V76 WeakPolarHBondContact O-CB 3.5Å; L72-V76 WeakPolarHBondContact O-CG2 3.26Å; G73-V76 PolarHBondContact O-N 3.29Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 3.39Å; V76-G80 PolarHBondContact O-N 2.61Å |
| 77 | L | 47.4 | Very low | 47.8 | Very low | 121 Ų | 121 | 97.8 Ų | 97.8 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71 | -33.9 | 174.1 | -66.9 | 171.9 | 0 | 0 | 0 | 111.5 | G73 E74 G80 C81 | G73-L77 VanDerWaalsContact O-CB 3.24Å; G73-L77 WeakPolarHBondContact O-CB 3.38Å; G73-L77 WeakPolarHBondContact O-CG 3.32Å; G73-L77 PolarHBondContact O-N 3.48Å; E74-L77 PolarHBondContact O-N 3.3Å; L77-G80 CarbonylContact O-C 3.58Å; L77-G80 WeakPolarHBondContact O-CA 3.45Å; L77-G80 PolarHBondContact O-N 2.71Å; L77-C81 PolarHBondContact O-N 3.11Å; L77-C81 PolarHBondContact O-SG 3.16Å; L77-C81 VanDerWaalsContact O-SG 3.32Å |
| 78 | W | 47.7 | Very low | 47.8 | Very low | 170 Ų | 170 | 97.7 Ų | 97.7 | 64% | 0.644 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.5 | -39.3 | 176.5 | -157.8 | 92.9 | 0 | 0 | 0 | 112.2 | E74 G80 R82 | E74-W78 WeakPolarHBondContact O-CB 3.25Å; E74-W78 PolarHBondContact O-N 3.25Å; W78-G80 VanDerWaalsContact C-N 3.34Å; W78-R82 HydrophobicContact CE3-CG 4.19Å; W78-R82 HydrophobicContact CZ3-CG 4.3Å; W78-R82 WeakPolarHBondContact O-CB 3.24Å; W78-R82 VanDerWaalsContact O-CG 3.22Å; W78-R82 WeakPolarHBondContact O-CG 3.34Å; W78-R82 PolarHBondContact O-N 2.65Å; W78-R82 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 46.6 | Very low | 48 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 165.9 | -105.6 | 69.9 | 0 | 0 | 0 | 111.3 | P75 R82 A83 | P75-L79 WeakPolarHBondContact O-CB 2.95Å; P75-L79 PolarHBondContact O-N 3.4Å; L79-R82 PolarHBondContact O-N 3.15Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.32Å; L79-A83 PolarHBondContact O-N 3.45Å |
| 80 | G | 47.5 | Very low | 48.1 | Very low | 35 Ų | 35 | 100.3 Ų | 100.3 | 36% | 0.361 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.3 | -55.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V76 L77 W78 R82 A83 D84 | V76-G80 PolarHBondContact O-N 2.61Å; L77-G80 CarbonylContact O-C 3.58Å; L77-G80 WeakPolarHBondContact O-CA 3.45Å; L77-G80 PolarHBondContact O-N 2.71Å; W78-G80 VanDerWaalsContact C-N 3.34Å; G80-R82 VanDerWaalsContact C-N 3.31Å; G80-R82 PolarHBondContact O-N 3.48Å; G80-A83 CarbonylContact O-C 3.58Å; G80-A83 WeakPolarHBondContact O-CB 3.37Å; G80-A83 PolarHBondContact O-N 2.98Å; G80-A83 VanDerWaalsContact O-N 3.13Å; G80-D84 PolarHBondContact O-N 2.83Å |
| 81 | C | 48.8 | Very low | 47.9 | Very low | 86 Ų | 86 | 98.5 Ų | 98.5 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -34.6 | 178.3 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | L77 D84 E85 | L77-C81 PolarHBondContact O-N 3.11Å; L77-C81 PolarHBondContact O-SG 3.16Å; L77-C81 VanDerWaalsContact O-SG 3.32Å; C81-D84 PolarHBondContact O-N 3.39Å; C81-E85 PolarHBondContact O-N 2.95Å |
| 82 | R | 48.3 | Very low | 48.2 | Very low | 143 Ų | 143 | 96.4 Ų | 96.4 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -34 | 174.4 | -72.5 | -81.3 | -81.9 | -140.8 | -11.8 | 112.3 | W78 L79 G80 L86 | W78-R82 HydrophobicContact CE3-CG 4.19Å; W78-R82 HydrophobicContact CZ3-CG 4.3Å; W78-R82 WeakPolarHBondContact O-CB 3.24Å; W78-R82 VanDerWaalsContact O-CG 3.22Å; W78-R82 WeakPolarHBondContact O-CG 3.34Å; W78-R82 PolarHBondContact O-N 2.65Å; W78-R82 VanDerWaalsContact O-N 3.15Å; L79-R82 PolarHBondContact O-N 3.15Å; G80-R82 VanDerWaalsContact C-N 3.31Å; G80-R82 PolarHBondContact O-N 3.48Å; R82-L86 WeakPolarHBondContact O-CD1 3.21Å; R82-L86 VanDerWaalsContact O-CG 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.2Å; R82-L86 PolarHBondContact O-N 3.22Å; R82-L86 VanDerWaalsContact O-N 3.12Å |
| 83 | A | 44.3 | Very low | 48.4 | Very low | 49 Ų | 49 | 97.6 Ų | 97.6 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L79 G80 L86 L87 | L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.32Å; L79-A83 PolarHBondContact O-N 3.45Å; G80-A83 CarbonylContact O-C 3.58Å; G80-A83 WeakPolarHBondContact O-CB 3.37Å; G80-A83 PolarHBondContact O-N 2.98Å; G80-A83 VanDerWaalsContact O-N 3.13Å; A83-L86 WeakPolarHBondContact O-CB 3.34Å; A83-L86 PolarHBondContact O-N 3.45Å; A83-L87 WeakPolarHBondContact O-CB 3.38Å; A83-L87 PolarHBondContact O-N 3.08Å |
| 84 | D | 44.3 | Very low | 48.9 | Very low | 99 Ų | 99 | 102.8 Ų | 102.8 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174 | -128.2 | -25.8 | 0 | 0 | 0 | 110.7 | G80 C81 L86 L87 S88 | G80-D84 PolarHBondContact O-N 2.83Å; C81-D84 PolarHBondContact O-N 3.39Å; D84-L86 VanDerWaalsContact C-N 3.29Å; D84-L86 PolarHBondContact O-N 3.45Å; D84-L87 CarbonylContact O-C 3.59Å; D84-L87 PolarHBondContact O-N 2.84Å; D84-L87 VanDerWaalsContact O-N 3.17Å; D84-S88 WeakPolarHBondContact O-CB 3.28Å; D84-S88 PolarHBondContact O-N 3.39Å |
| 85 | E | 45 | Very low | 49.4 | Very low | 106 Ų | 106 | 97.8 Ų | 97.8 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.2 | -29 | 177.1 | -157 | 178.1 | 175.6 | 0 | 0 | 112.5 | C81 S88 | C81-E85 PolarHBondContact O-N 2.95Å; E85-S88 PolarHBondContact O-OG 3.04Å |
| 86 | L | 44.4 | Very low | 50 | Low | 66 Ų | 66 | 99.2 Ų | 99.2 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 170.6 | -76.2 | 165.6 | 0 | 0 | 0 | 113.1 | R82 A83 D84 R94 S95 | R82-L86 WeakPolarHBondContact O-CD1 3.21Å; R82-L86 VanDerWaalsContact O-CG 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.2Å; R82-L86 PolarHBondContact O-N 3.22Å; R82-L86 VanDerWaalsContact O-N 3.12Å; A83-L86 WeakPolarHBondContact O-CB 3.34Å; A83-L86 PolarHBondContact O-N 3.45Å; D84-L86 VanDerWaalsContact C-N 3.29Å; D84-L86 PolarHBondContact O-N 3.45Å; L86-R94 HydrophobicContact CD2-CB 4.06Å; L86-R94 VanDerWaalsContact CD2-O 3.22Å; L86-R94 WeakPolarHBondContact CD2-O 3.43Å; L86-S95 WeakPolarHBondContact O-CB 3.28Å; L86-S95 PolarHBondContact O-OG 3.47Å |
| 87 | L | 47.9 | Very low | 50.9 | Low | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.4 | -26.9 | 174.3 | -105.6 | 69.4 | 0 | 0 | 0 | 112.8 | A83 D84 W89 | A83-L87 WeakPolarHBondContact O-CB 3.38Å; A83-L87 PolarHBondContact O-N 3.08Å; D84-L87 CarbonylContact O-C 3.59Å; D84-L87 PolarHBondContact O-N 2.84Å; D84-L87 VanDerWaalsContact O-N 3.17Å; L87-W89 PolarHBondContact O-N 3.29Å |
| 88 | S | 53 | Low | 51.9 | Low | 45 Ų | 45 | 95.9 Ų | 95.9 | 32% | 0.315 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.4 | -175.9 | 77.1 | 0 | 0 | 0 | 0 | 114.8 | D84 E85 K90 | D84-S88 WeakPolarHBondContact O-CB 3.28Å; D84-S88 PolarHBondContact O-N 3.39Å; E85-S88 PolarHBondContact O-OG 3.04Å; S88-K90 PolarHBondContact O-N 3.23Å |
| 89 | W | 53.3 | Low | 52.8 | Low | 89 Ų | 89 | 91.3 Ų | 91.3 | 34% | 0.337 | 47% | 0.47 | S | S | . | . | trans | 54.3 | 5.9 | -177.5 | -88 | 53.6 | 0 | 0 | 0 | 116.3 | L87 R91 S95 L232 | L87-W89 PolarHBondContact O-N 3.29Å; W89-R91 PolarHBondContact O-N 3.39Å; W89-S95 PolarHBondContact NE1-OG 2.97Å; W89-L232 HydrophobicContact CD2-CD2 3.9Å; W89-L232 HydrophobicContact CG-CD2 4.13Å; W89-L232 HydrophobicContact CH2-CD1 4.17Å; W89-L232 HydrophobicContact CZ2-CD1 3.47Å; W89-L232 VanDerWaalsContact CZ2-CD1 3.47Å; W89-L232 HydrophobicContact CZ2-CD2 3.72Å; W89-L232 HydrophobicContact CZ2-CG 4.17Å | ||
| 90 | K | 52.5 | Low | 53.9 | Low | 146 Ų | 146 | 88.5 Ų | 88.5 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -56.3 | -17.2 | 175.4 | -74.2 | 170.6 | -179.4 | 158.4 | 0 | 113.1 | S88 E163 | S88-K90 PolarHBondContact O-N 3.23Å; K90-E163 IonicContact NZ-OE1 3.17Å; K90-E163 PolarHBondContact NZ-OE1 3.2Å; K90-E163 VanDerWaalsContact NZ-OE1 3.17Å |
| 91 | R | 50.4 | Low | 54.9 | Low | 145 Ų | 145 | 89.4 Ų | 89.4 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -137.3 | 102.7 | 168.3 | -60.1 | -172.3 | -167.7 | -141.3 | 2.3 | 111 | W89 L93 R94 S95 | W89-R91 PolarHBondContact O-N 3.39Å; R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3.04Å; R91-R94 HydrophobicContact CB-CB 4.45Å; R91-R94 HydrophobicContact CB-CG 4.49Å; R91-R94 PolarHBondContact O-N 3.05Å; R91-R94 VanDerWaalsContact O-N 3.13Å; R91-S95 PolarHBondContact O-N 3.25Å |
| 92 | P | 53.5 | Low | 55.8 | Low | 87 Ų | 87 | 87.3 Ų | 87.3 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.6 | -33.5 | -171.1 | 23.5 | -34 | 0 | 0 | 0 | 113.2 | R94 S95 L96 | P92-R94 PolarHBondContact O-N 2.99Å; P92-S95 PolarHBondContact O-N 3.35Å; P92-L96 VanDerWaalsContact O-CB 3.23Å; P92-L96 WeakPolarHBondContact O-CB 3.32Å; P92-L96 PolarHBondContact O-N 3.16Å |
| 93 | L | 50.8 | Low | 56.8 | Low | 139 Ų | 139 | 81.8 Ų | 81.8 | 73% | 0.728 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.7 | -35.7 | 177.3 | -79.4 | 154.2 | 0 | 0 | 0 | 113.8 | R91 L97 | R91-L93 VanDerWaalsContact C-N 3.29Å; R91-L93 PolarHBondContact O-N 3.04Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 PolarHBondContact O-N 3.47Å |
| 94 | R | 55.3 | Low | 57.9 | Low | 128 Ų | 128 | 84.9 Ų | 84.9 | 48% | 0.483 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -77 | -38.7 | 178 | -70.7 | -174.4 | -178.8 | 166.7 | -2.5 | 111.3 | L86 R91 P92 L97 G98 | L86-R94 HydrophobicContact CD2-CB 4.06Å; L86-R94 VanDerWaalsContact CD2-O 3.22Å; L86-R94 WeakPolarHBondContact CD2-O 3.43Å; R91-R94 HydrophobicContact CB-CB 4.45Å; R91-R94 HydrophobicContact CB-CG 4.49Å; R91-R94 PolarHBondContact O-N 3.05Å; R91-R94 VanDerWaalsContact O-N 3.13Å; P92-R94 PolarHBondContact O-N 2.99Å; R94-L97 PolarHBondContact O-N 3.48Å; R94-G98 PolarHBondContact O-N 2.76Å |
| 95 | S | 58.8 | Low | 59 | Low | 14 Ų | 14 | 85.1 Ų | 85.1 | 10% | 0.098 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 174.2 | -157.6 | 0 | 0 | 0 | 0 | 111.7 | L86 W89 R91 P92 L97 G98 F99 | L86-S95 WeakPolarHBondContact O-CB 3.28Å; L86-S95 PolarHBondContact O-OG 3.47Å; W89-S95 PolarHBondContact NE1-OG 2.97Å; R91-S95 PolarHBondContact O-N 3.25Å; P92-S95 PolarHBondContact O-N 3.35Å; S95-L97 PolarHBondContact O-N 3.34Å; S95-G98 PolarHBondContact O-N 3.3Å; S95-F99 WeakPolarHBondContact O-CB 3.34Å; S95-F99 PolarHBondContact O-N 3.48Å |
| 96 | L | 62.7 | Low | 60 | Low | 101 Ų | 101 | 81.7 Ų | 81.7 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 171.8 | -176.2 | 67.1 | 0 | 0 | 0 | 111.7 | P92 F99 V100 | P92-L96 VanDerWaalsContact O-CB 3.23Å; P92-L96 WeakPolarHBondContact O-CB 3.32Å; P92-L96 PolarHBondContact O-N 3.16Å; L96-F99 PolarHBondContact O-N 2.95Å; L96-V100 WeakPolarHBondContact O-CB 3.42Å; L96-V100 VanDerWaalsContact O-CG2 3.3Å; L96-V100 WeakPolarHBondContact O-CG2 3.38Å; L96-V100 PolarHBondContact O-N 3.07Å |
| 97 | L | 67.1 | Low | 61.1 | Low | 121 Ų | 121 | 84.4 Ų | 84.4 | 63% | 0.634 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 174.9 | -174.9 | 63.8 | 0 | 0 | 0 | 112 | L93 R94 S95 V100 A101 | L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 PolarHBondContact O-N 3.47Å; R94-L97 PolarHBondContact O-N 3.48Å; S95-L97 PolarHBondContact O-N 3.34Å; L97-V100 PolarHBondContact O-N 2.81Å; L97-A101 VanDerWaalsContact O-CB 3.25Å; L97-A101 WeakPolarHBondContact O-CB 3.21Å; L97-A101 PolarHBondContact O-N 3.35Å |
| 98 | G | 66.9 | Low | 61.7 | Low | 28 Ų | 28 | 86.3 Ų | 86.3 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R94 S95 A101 A102 | R94-G98 PolarHBondContact O-N 2.76Å; S95-G98 PolarHBondContact O-N 3.3Å; G98-A101 PolarHBondContact O-N 2.83Å; G98-A102 VanDerWaalsContact O-CB 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.44Å; G98-A102 PolarHBondContact O-N 3.37Å |
| 99 | F | 66.8 | Low | 61.9 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 173.4 | 180 | -99.1 | 0 | 0 | 0 | 111.3 | S95 L96 A101 A102 N103 L225 | S95-F99 WeakPolarHBondContact O-CB 3.34Å; S95-F99 PolarHBondContact O-N 3.48Å; L96-F99 PolarHBondContact O-N 2.95Å; F99-A101 VanDerWaalsContact C-N 3.35Å; F99-A101 PolarHBondContact O-N 3.39Å; F99-A102 PolarHBondContact O-N 2.76Å; F99-N103 VanDerWaalsContact CE1-ND2 3.32Å; F99-N103 WeakPolarHBondContact CE1-ND2 3.43Å; F99-N103 WeakPolarHBondContact CE2-ND2 3.18Å; F99-N103 VanDerWaalsContact CZ-ND2 3.29Å; F99-N103 WeakPolarHBondContact CZ-ND2 2.98Å; F99-N103 WeakPolarHBondContact O-CB 3.24Å; F99-N103 PolarHBondContact O-N 3.19Å; F99-N103 PolarHBondContact O-ND2 2.9Å; F99-L225 HydrophobicContact CE2-CD1 3.76Å; F99-L225 HydrophobicContact CZ-CD1 3.72Å |
| 100 | V | 71 | Confident | 62.1 | Low | 63 Ų | 63 | 85 Ų | 85 | 38% | 0.382 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 176 | 170 | 0 | 0 | 0 | 0 | 111.3 | L96 L97 N103 L104 | L96-V100 WeakPolarHBondContact O-CB 3.42Å; L96-V100 VanDerWaalsContact O-CG2 3.3Å; L96-V100 WeakPolarHBondContact O-CG2 3.38Å; L96-V100 PolarHBondContact O-N 3.07Å; L97-V100 PolarHBondContact O-N 2.81Å; V100-N103 PolarHBondContact O-N 2.73Å; V100-L104 HydrophobicContact CG1-CD1 3.92Å; V100-L104 HydrophobicContact CG1-CG 4.39Å; V100-L104 WeakPolarHBondContact O-CB 3.43Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.42Å; V100-L104 PolarHBondContact O-N 2.84Å |
| 101 | A | 67.3 | Low | 62.4 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L97 G98 F99 N103 L104 L105 | L97-A101 VanDerWaalsContact O-CB 3.25Å; L97-A101 WeakPolarHBondContact O-CB 3.21Å; L97-A101 PolarHBondContact O-N 3.35Å; G98-A101 PolarHBondContact O-N 2.83Å; F99-A101 VanDerWaalsContact C-N 3.35Å; F99-A101 PolarHBondContact O-N 3.39Å; A101-N103 VanDerWaalsContact C-N 3.33Å; A101-L104 PolarHBondContact O-N 2.71Å; A101-L105 VanDerWaalsContact O-CB 3.27Å; A101-L105 WeakPolarHBondContact O-CB 3.23Å; A101-L105 PolarHBondContact O-N 2.83Å |
| 102 | A | 68.8 | Low | 62.5 | Low | 42 Ų | 42 | 80.2 Ų | 80.2 | 35% | 0.347 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G98 F99 F106 | G98-A102 VanDerWaalsContact O-CB 3.3Å; G98-A102 WeakPolarHBondContact O-CB 3.44Å; G98-A102 PolarHBondContact O-N 3.37Å; F99-A102 PolarHBondContact O-N 2.76Å; A102-F106 WeakPolarHBondContact O-CB 3.37Å; A102-F106 PolarHBondContact O-N 3.32Å |
| 103 | N | 68.2 | Low | 62.6 | Low | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.8 | -49.3 | 172.4 | -88.6 | -102 | 0 | 0 | 0 | 111.4 | F99 V100 A101 L105 F106 W107 Y221 | F99-N103 VanDerWaalsContact CE1-ND2 3.32Å; F99-N103 WeakPolarHBondContact CE1-ND2 3.43Å; F99-N103 WeakPolarHBondContact CE2-ND2 3.18Å; F99-N103 VanDerWaalsContact CZ-ND2 3.29Å; F99-N103 WeakPolarHBondContact CZ-ND2 2.98Å; F99-N103 WeakPolarHBondContact O-CB 3.24Å; F99-N103 PolarHBondContact O-N 3.19Å; F99-N103 PolarHBondContact O-ND2 2.9Å; V100-N103 PolarHBondContact O-N 2.73Å; A101-N103 VanDerWaalsContact C-N 3.33Å; N103-L105 VanDerWaalsContact C-N 3.33Å; N103-L105 PolarHBondContact O-N 2.93Å; N103-F106 WeakPolarHBondContact O-CB 3.27Å; N103-F106 PolarHBondContact O-N 3.35Å; N103-W107 PolarHBondContact O-N 3.46Å; N103-Y221 WeakPolarHBondContact OD1-CE2 3.2Å; N103-Y221 PolarHBondContact OD1-OH 2.99Å |
| 104 | L | 66.9 | Low | 62.7 | Low | 115 Ų | 115 | 81 Ų | 81 | 60% | 0.602 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 177.3 | -75.9 | 168.5 | 0 | 0 | 0 | 111.6 | V100 A101 W107 F108 | V100-L104 HydrophobicContact CG1-CD1 3.92Å; V100-L104 HydrophobicContact CG1-CG 4.39Å; V100-L104 WeakPolarHBondContact O-CB 3.43Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.42Å; V100-L104 PolarHBondContact O-N 2.84Å; A101-L104 PolarHBondContact O-N 2.71Å; L104-W107 PolarHBondContact O-N 3.25Å; L104-F108 WeakPolarHBondContact O-CB 3.12Å; L104-F108 PolarHBondContact O-N 3.47Å |
| 105 | L | 67.8 | Low | 62.7 | Low | 104 Ų | 104 | 85.7 Ų | 85.7 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 174.4 | -176.6 | 63.7 | 0 | 0 | 0 | 111.5 | A101 N103 F108 L109 | A101-L105 VanDerWaalsContact O-CB 3.27Å; A101-L105 WeakPolarHBondContact O-CB 3.23Å; A101-L105 PolarHBondContact O-N 2.83Å; N103-L105 VanDerWaalsContact C-N 3.33Å; N103-L105 PolarHBondContact O-N 2.93Å; L105-F108 PolarHBondContact O-N 3.01Å; L105-L109 HydrophobicContact CD1-CD1 3.84Å; L105-L109 HydrophobicContact CG-CD1 4.27Å; L105-L109 WeakPolarHBondContact O-CD1 3.45Å; L105-L109 PolarHBondContact O-N 3.32Å |
| 106 | F | 66.4 | Low | 62.5 | Low | 34 Ų | 34 | 89.5 Ų | 89.5 | 15% | 0.149 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.7 | -49 | 174.9 | 176.3 | -89 | 0 | 0 | 0 | 111.8 | A102 N103 F108 L109 A110 V217 Y221 L224 | A102-F106 WeakPolarHBondContact O-CB 3.37Å; A102-F106 PolarHBondContact O-N 3.32Å; N103-F106 WeakPolarHBondContact O-CB 3.27Å; N103-F106 PolarHBondContact O-N 3.35Å; F106-F108 VanDerWaalsContact C-N 3.32Å; F106-F108 PolarHBondContact O-N 2.83Å; F106-L109 PolarHBondContact O-N 2.8Å; F106-A110 HydrophobicContact CE1-CB 4.43Å; F106-A110 VanDerWaalsContact O-CB 3.28Å; F106-A110 WeakPolarHBondContact O-CB 3.42Å; F106-A110 PolarHBondContact O-N 3.24Å; F106-V217 HydrophobicContact CE1-CG1 3.76Å; F106-V217 HydrophobicContact CZ-CG1 3.59Å; F106-V217 WeakPolarHBondContact CZ-O 3.48Å; F106-Y221 AromaticContact CD1-CD2 3.69Å; F106-Y221 HydrophobicContact CD1-CD2 3.69Å; F106-Y221 HydrophobicContact CD1-CE2 4.44Å; F106-Y221 HydrophobicContact CD1-CG 4.41Å; F106-Y221 AromaticContact CE1-CD2 3.7Å; F106-Y221 HydrophobicContact CE1-CD2 3.7Å; F106-Y221 AromaticContact CE1-CG 3.97Å; F106-Y221 HydrophobicContact CE1-CG 3.97Å; F106-Y221 HydrophobicContact CG-CD2 4.24Å; F106-Y221 HydrophobicContact CZ-CD2 4.24Å; F106-Y221 HydrophobicContact CZ-CG 4.34Å; F106-L224 HydrophobicContact CD2-CD2 4.17Å |
| 107 | W | 68 | Low | 62.2 | Low | 122 Ų | 122 | 90.5 Ų | 90.5 | 46% | 0.462 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.4 | -77.8 | 106.8 | 0 | 0 | 0 | 112 | N103 L104 A110 L111 | N103-W107 PolarHBondContact O-N 3.46Å; L104-W107 PolarHBondContact O-N 3.25Å; W107-A110 PolarHBondContact O-N 2.84Å; W107-L111 VanDerWaalsContact O-CB 3.31Å; W107-L111 WeakPolarHBondContact O-CB 3.49Å; W107-L111 WeakPolarHBondContact O-CD1 3.25Å; W107-L111 WeakPolarHBondContact O-CG 3.44Å; W107-L111 PolarHBondContact O-N 3.14Å |
| 108 | F | 59.5 | Low | 61.5 | Low | 135 Ų | 135 | 89.3 Ų | 89.3 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 173 | 179.7 | -104.8 | 0 | 0 | 0 | 112.1 | L104 L105 F106 A110 T112 | L104-F108 WeakPolarHBondContact O-CB 3.12Å; L104-F108 PolarHBondContact O-N 3.47Å; L105-F108 PolarHBondContact O-N 3.01Å; F106-F108 VanDerWaalsContact C-N 3.32Å; F106-F108 PolarHBondContact O-N 2.83Å; F108-A110 VanDerWaalsContact C-N 3.32Å; F108-A110 PolarHBondContact O-N 3.44Å; F108-T112 WeakPolarHBondContact O-CB 3.42Å; F108-T112 PolarHBondContact O-N 2.81Å; F108-T112 PolarHBondContact O-OG1 2.83Å |
| 109 | L | 57.8 | Low | 60.6 | Low | 74 Ų | 74 | 93.6 Ų | 93.6 | 39% | 0.387 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 173 | -95.9 | 65.2 | 0 | 0 | 0 | 112.5 | L105 F106 W114 | L105-L109 HydrophobicContact CD1-CD1 3.84Å; L105-L109 HydrophobicContact CG-CD1 4.27Å; L105-L109 WeakPolarHBondContact O-CD1 3.45Å; L105-L109 PolarHBondContact O-N 3.32Å; F106-L109 PolarHBondContact O-N 2.8Å; L109-W114 HydrophobicContact CD2-CZ3 4.46Å |
| 110 | A | 57.8 | Low | 60.4 | Low | 34 Ų | 34 | 93.8 Ų | 93.8 | 28% | 0.281 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.4 | -34.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F106 W107 F108 V217 | F106-A110 HydrophobicContact CE1-CB 4.43Å; F106-A110 VanDerWaalsContact O-CB 3.28Å; F106-A110 WeakPolarHBondContact O-CB 3.42Å; F106-A110 PolarHBondContact O-N 3.24Å; W107-A110 PolarHBondContact O-N 2.84Å; F108-A110 VanDerWaalsContact C-N 3.32Å; F108-A110 PolarHBondContact O-N 3.44Å; A110-V217 HydrophobicContact CB-CG1 3.51Å; A110-V217 HydrophobicContact CB-CG2 4.48Å |
| 111 | L | 59 | Low | 60 | Low | 143 Ų | 143 | 94.1 Ų | 94.1 | 75% | 0.749 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -81.4 | -22.2 | 176.3 | -69.3 | 168.3 | 0 | 0 | 0 | 112.2 | W107 | W107-L111 VanDerWaalsContact O-CB 3.31Å; W107-L111 WeakPolarHBondContact O-CB 3.49Å; W107-L111 WeakPolarHBondContact O-CD1 3.25Å; W107-L111 WeakPolarHBondContact O-CG 3.44Å; W107-L111 PolarHBondContact O-N 3.14Å |
| 112 | T | 52.8 | Low | 60 | Low | 47 Ų | 47 | 95.6 Ų | 95.6 | 29% | 0.288 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -70.5 | 136 | 166.4 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | F108 W114 | F108-T112 WeakPolarHBondContact O-CB 3.42Å; F108-T112 PolarHBondContact O-N 2.81Å; F108-T112 PolarHBondContact O-OG1 2.83Å; T112-W114 HydrophobicContact CG2-CG 4.48Å; T112-W114 PolarHBondContact O-N 3.3Å |
| 113 | P | 54 | Low | 59.4 | Low | 123 Ų | 123 | 99.3 Ų | 99.3 | 80% | 0.799 | 50% | 0.496 | S | S | * | . | trans | -72.8 | 69 | -178.7 | 29.1 | -35.4 | 0 | 0 | 0 | 112.6 | R115 | P113-R115 VanDerWaalsContact C-N 3.34Å; P113-R115 PolarHBondContact O-N 3.49Å | ||
| 114 | W | 54.4 | Low | 59.3 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 45% | 0.447 | 51% | 0.513 | S | S | . | . | trans | -93.9 | 21.5 | -174.7 | -110.1 | 46.1 | 0 | 0 | 0 | 113.8 | L109 T112 V116 Y117 H118 | L109-W114 HydrophobicContact CD2-CZ3 4.46Å; T112-W114 HydrophobicContact CG2-CG 4.48Å; T112-W114 PolarHBondContact O-N 3.3Å; W114-V116 PolarHBondContact O-N 3.43Å; W114-Y117 HydrophobicContact CB-CD2 4.28Å; W114-Y117 AromaticContact CD1-CD2 3.63Å; W114-Y117 AromaticContact CD1-CE2 3.76Å; W114-Y117 HydrophobicContact CD2-CD1 4.44Å; W114-Y117 AromaticContact CD2-CD2 3.26Å; W114-Y117 HydrophobicContact CD2-CD2 3.26Å; W114-Y117 AromaticContact CD2-CE2 3.85Å; W114-Y117 HydrophobicContact CD2-CE2 3.85Å; W114-Y117 AromaticContact CD2-CG 3.6Å; W114-Y117 HydrophobicContact CD2-CG 3.6Å; W114-Y117 AromaticContact CE2-CD2 3.3Å; W114-Y117 AromaticContact CE2-CE2 3.34Å; W114-Y117 AromaticContact CE2-CG 3.79Å; W114-Y117 AromaticContact CE2-CZ 3.87Å; W114-Y117 VanDerWaalsContact CE3-CB 3.47Å; W114-Y117 HydrophobicContact CE3-CD1 4.3Å; W114-Y117 AromaticContact CE3-CD2 3.79Å; W114-Y117 HydrophobicContact CE3-CD2 3.79Å; W114-Y117 AromaticContact CE3-CG 3.59Å; W114-Y117 HydrophobicContact CE3-CG 3.59Å; W114-Y117 AromaticContact CG-CD2 3.49Å; W114-Y117 HydrophobicContact CG-CD2 3.49Å; W114-Y117 VanDerWaalsContact CG-CD2 3.49Å; W114-Y117 HydrophobicContact CG-CE2 4.09Å; W114-Y117 HydrophobicContact CG-CG 4.22Å; W114-Y117 AromaticContact CH2-CD1 3.85Å; W114-Y117 HydrophobicContact CH2-CD1 3.85Å; W114-Y117 HydrophobicContact CH2-CD2 4.29Å; W114-Y117 HydrophobicContact CH2-CE1 4.06Å; W114-Y117 HydrophobicContact CH2-CE2 4.49Å; W114-Y117 AromaticContact CH2-CG 3.95Å; W114-Y117 HydrophobicContact CH2-CG 3.95Å; W114-Y117 HydrophobicContact CZ2-CD1 4.01Å; W114-Y117 AromaticContact CZ2-CD2 3.85Å; W114-Y117 HydrophobicContact CZ2-CD2 3.85Å; W114-Y117 AromaticContact CZ2-CE1 3.89Å; W114-Y117 HydrophobicContact CZ2-CE1 3.89Å; W114-Y117 AromaticContact CZ2-CE2 3.72Å; W114-Y117 HydrophobicContact CZ2-CE2 3.72Å; W114-Y117 AromaticContact CZ2-CG 3.97Å; W114-Y117 HydrophobicContact CZ2-CG 3.97Å; W114-Y117 AromaticContact CZ2-CZ 3.72Å; W114-Y117 AromaticContact CZ3-CD1 4Å; W114-Y117 HydrophobicContact CZ3-CD1 4Å; W114-Y117 HydrophobicContact CZ3-CD2 4.27Å; W114-Y117 AromaticContact CZ3-CG 3.77Å; W114-Y117 HydrophobicContact CZ3-CG 3.77Å; W114-Y117 AromaticContact NE1-CD2 3.52Å; W114-Y117 AromaticContact NE1-CE2 3.3Å; W114-Y117 VanDerWaalsContact NE1-CE2 3.3Å; W114-Y117 PolarHBondContact O-N 2.8Å; W114-H118 PolarHBondContact O-N 2.82Å | ||
| 115 | R | 55.7 | Low | 59.4 | Low | 228 Ų | 228 | 102 Ų | 102 | 86% | 0.86 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -49.3 | -34.8 | 176.2 | -134.3 | -179.5 | -168.9 | 178.5 | 3.3 | 112.1 | P113 L119 | P113-R115 VanDerWaalsContact C-N 3.34Å; P113-R115 PolarHBondContact O-N 3.49Å; R115-L119 WeakPolarHBondContact O-CB 3.45Å; R115-L119 PolarHBondContact O-N 3.21Å; R115-L119 VanDerWaalsContact O-N 3.11Å |
| 116 | V | 53.4 | Low | 59.4 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | W114 L119 I120 | W114-V116 PolarHBondContact O-N 3.43Å; V116-L119 PolarHBondContact O-N 3.47Å; V116-I120 HydrophobicContact CG1-CD1 3.77Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CB 3.21Å; V116-I120 VanDerWaalsContact O-CG1 3.25Å; V116-I120 WeakPolarHBondContact O-CG1 3.31Å; V116-I120 PolarHBondContact O-N 2.85Å |
| 117 | Y | 55.8 | Low | 59.1 | Low | 122 Ų | 122 | 105.5 Ų | 105.5 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | -179.2 | -70.8 | -91.7 | 0 | 0 | 0 | 112.4 | W114 L119 I120 S121 | W114-Y117 HydrophobicContact CB-CD2 4.28Å; W114-Y117 AromaticContact CD1-CD2 3.63Å; W114-Y117 AromaticContact CD1-CE2 3.76Å; W114-Y117 HydrophobicContact CD2-CD1 4.44Å; W114-Y117 AromaticContact CD2-CD2 3.26Å; W114-Y117 HydrophobicContact CD2-CD2 3.26Å; W114-Y117 AromaticContact CD2-CE2 3.85Å; W114-Y117 HydrophobicContact CD2-CE2 3.85Å; W114-Y117 AromaticContact CD2-CG 3.6Å; W114-Y117 HydrophobicContact CD2-CG 3.6Å; W114-Y117 AromaticContact CE2-CD2 3.3Å; W114-Y117 AromaticContact CE2-CE2 3.34Å; W114-Y117 AromaticContact CE2-CG 3.79Å; W114-Y117 AromaticContact CE2-CZ 3.87Å; W114-Y117 VanDerWaalsContact CE3-CB 3.47Å; W114-Y117 HydrophobicContact CE3-CD1 4.3Å; W114-Y117 AromaticContact CE3-CD2 3.79Å; W114-Y117 HydrophobicContact CE3-CD2 3.79Å; W114-Y117 AromaticContact CE3-CG 3.59Å; W114-Y117 HydrophobicContact CE3-CG 3.59Å; W114-Y117 AromaticContact CG-CD2 3.49Å; W114-Y117 HydrophobicContact CG-CD2 3.49Å; W114-Y117 VanDerWaalsContact CG-CD2 3.49Å; W114-Y117 HydrophobicContact CG-CE2 4.09Å; W114-Y117 HydrophobicContact CG-CG 4.22Å; W114-Y117 AromaticContact CH2-CD1 3.85Å; W114-Y117 HydrophobicContact CH2-CD1 3.85Å; W114-Y117 HydrophobicContact CH2-CD2 4.29Å; W114-Y117 HydrophobicContact CH2-CE1 4.06Å; W114-Y117 HydrophobicContact CH2-CE2 4.49Å; W114-Y117 AromaticContact CH2-CG 3.95Å; W114-Y117 HydrophobicContact CH2-CG 3.95Å; W114-Y117 HydrophobicContact CZ2-CD1 4.01Å; W114-Y117 AromaticContact CZ2-CD2 3.85Å; W114-Y117 HydrophobicContact CZ2-CD2 3.85Å; W114-Y117 AromaticContact CZ2-CE1 3.89Å; W114-Y117 HydrophobicContact CZ2-CE1 3.89Å; W114-Y117 AromaticContact CZ2-CE2 3.72Å; W114-Y117 HydrophobicContact CZ2-CE2 3.72Å; W114-Y117 AromaticContact CZ2-CG 3.97Å; W114-Y117 HydrophobicContact CZ2-CG 3.97Å; W114-Y117 AromaticContact CZ2-CZ 3.72Å; W114-Y117 AromaticContact CZ3-CD1 4Å; W114-Y117 HydrophobicContact CZ3-CD1 4Å; W114-Y117 HydrophobicContact CZ3-CD2 4.27Å; W114-Y117 AromaticContact CZ3-CG 3.77Å; W114-Y117 HydrophobicContact CZ3-CG 3.77Å; W114-Y117 AromaticContact NE1-CD2 3.52Å; W114-Y117 AromaticContact NE1-CE2 3.3Å; W114-Y117 VanDerWaalsContact NE1-CE2 3.3Å; W114-Y117 PolarHBondContact O-N 2.8Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; Y117-I120 PolarHBondContact O-N 3.45Å; Y117-S121 VanDerWaalsContact O-CB 3.24Å; Y117-S121 WeakPolarHBondContact O-CB 3.23Å; Y117-S121 PolarHBondContact O-N 2.75Å |
| 118 | H | 53.9 | Low | 59.1 | Low | 97 Ų | 97 | 102.5 Ų | 102.5 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 174.5 | -152 | -45.3 | 0 | 0 | 0 | 111.6 | W114 V122 | W114-H118 PolarHBondContact O-N 2.82Å; H118-V122 WeakPolarHBondContact O-CB 3.18Å; H118-V122 VanDerWaalsContact O-CG2 3.28Å; H118-V122 WeakPolarHBondContact O-CG2 3.34Å; H118-V122 PolarHBondContact O-N 2.8Å |
| 119 | L | 48 | Very low | 59.2 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.6 | -38.2 | 175.3 | -165.9 | 144.6 | 0 | 0 | 0 | 112 | R115 V116 Y117 V122 M123 | R115-L119 WeakPolarHBondContact O-CB 3.45Å; R115-L119 PolarHBondContact O-N 3.21Å; R115-L119 VanDerWaalsContact O-N 3.11Å; V116-L119 PolarHBondContact O-N 3.47Å; Y117-L119 VanDerWaalsContact C-N 3.34Å; L119-V122 PolarHBondContact O-N 3.44Å; L119-M123 HydrophobicContact CD2-CG 4.23Å; L119-M123 WeakPolarHBondContact O-CB 3.35Å; L119-M123 WeakPolarHBondContact O-CG 3.45Å; L119-M123 PolarHBondContact O-N 2.83Å |
| 120 | I | 60.8 | Low | 59.4 | Low | 77 Ų | 77 | 102.5 Ų | 102.5 | 40% | 0.395 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 170.5 | -71.7 | 168.1 | 0 | 0 | 0 | 110.7 | V116 Y117 V122 M123 I124 | V116-I120 HydrophobicContact CG1-CD1 3.77Å; V116-I120 HydrophobicContact CG1-CG1 4.42Å; V116-I120 WeakPolarHBondContact O-CB 3.21Å; V116-I120 VanDerWaalsContact O-CG1 3.25Å; V116-I120 WeakPolarHBondContact O-CG1 3.31Å; V116-I120 PolarHBondContact O-N 2.85Å; Y117-I120 PolarHBondContact O-N 3.45Å; I120-V122 PolarHBondContact O-N 2.78Å; I120-M123 PolarHBondContact O-N 3.21Å; I120-I124 HydrophobicContact CG2-CD1 3.62Å; I120-I124 HydrophobicContact CG2-CG1 4.29Å; I120-I124 WeakPolarHBondContact O-CB 3.22Å; I120-I124 VanDerWaalsContact O-CG1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.38Å; I120-I124 PolarHBondContact O-N 3.44Å |
| 121 | S | 63.2 | Low | 59.4 | Low | 71 Ų | 71 | 106.3 Ų | 106.3 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | Y117 I124 L125 | Y117-S121 VanDerWaalsContact O-CB 3.24Å; Y117-S121 WeakPolarHBondContact O-CB 3.23Å; Y117-S121 PolarHBondContact O-N 2.75Å; S121-I124 PolarHBondContact O-N 2.74Å; S121-L125 WeakPolarHBondContact O-CB 3.39Å; S121-L125 PolarHBondContact O-N 3.28Å |
| 122 | V | 66.9 | Low | 59.5 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 112 | H118 L119 I120 G126 | H118-V122 WeakPolarHBondContact O-CB 3.18Å; H118-V122 VanDerWaalsContact O-CG2 3.28Å; H118-V122 WeakPolarHBondContact O-CG2 3.34Å; H118-V122 PolarHBondContact O-N 2.8Å; L119-V122 PolarHBondContact O-N 3.44Å; I120-V122 PolarHBondContact O-N 2.78Å; V122-G126 PolarHBondContact O-N 3.02Å |
| 123 | M | 57 | Low | 60 | Low | 120 Ų | 120 | 105.9 Ų | 105.9 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.7 | -41.9 | 173.2 | -82.7 | -92.1 | 80.2 | 0 | 0 | 112.6 | L119 I120 G126 R127 | L119-M123 HydrophobicContact CD2-CG 4.23Å; L119-M123 WeakPolarHBondContact O-CB 3.35Å; L119-M123 WeakPolarHBondContact O-CG 3.45Å; L119-M123 PolarHBondContact O-N 2.83Å; I120-M123 PolarHBondContact O-N 3.21Å; M123-G126 PolarHBondContact O-N 3.15Å; M123-R127 WeakPolarHBondContact O-CB 3.12Å; M123-R127 WeakPolarHBondContact O-CG 3.28Å; M123-R127 PolarHBondContact O-N 3.36Å |
| 124 | I | 65 | Low | 60.2 | Low | 101 Ų | 101 | 106.6 Ų | 106.6 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -45 | 175.7 | -68.5 | 168.8 | 0 | 0 | 0 | 109.7 | I120 S121 G126 R127 V128 | I120-I124 HydrophobicContact CG2-CD1 3.62Å; I120-I124 HydrophobicContact CG2-CG1 4.29Å; I120-I124 WeakPolarHBondContact O-CB 3.22Å; I120-I124 VanDerWaalsContact O-CG1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.38Å; I120-I124 PolarHBondContact O-N 3.44Å; S121-I124 PolarHBondContact O-N 2.74Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 2.84Å; I124-R127 WeakPolarHBondContact O-CB 3.42Å; I124-R127 PolarHBondContact O-N 2.82Å; I124-V128 HydrophobicContact CG2-CG2 4.41Å; I124-V128 WeakPolarHBondContact O-CB 3.47Å; I124-V128 VanDerWaalsContact O-CG2 3.32Å; I124-V128 WeakPolarHBondContact O-CG2 3.38Å; I124-V128 PolarHBondContact O-N 3.28Å |
| 125 | L | 69.9 | Low | 59.8 | Low | 97 Ų | 97 | 105.4 Ų | 105.4 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.8 | -177 | 61.3 | 0 | 0 | 0 | 111.3 | S121 V128 I129 | S121-L125 WeakPolarHBondContact O-CB 3.39Å; S121-L125 PolarHBondContact O-N 3.28Å; L125-V128 PolarHBondContact O-N 3.45Å; L125-I129 HydrophobicContact CD1-CD1 4.04Å; L125-I129 HydrophobicContact CD1-CG1 4.25Å; L125-I129 HydrophobicContact CD2-CD1 4.49Å; L125-I129 HydrophobicContact CG-CD1 3.8Å; L125-I129 HydrophobicContact CG-CG1 4.42Å; L125-I129 VanDerWaalsContact O-CB 3.31Å; L125-I129 WeakPolarHBondContact O-CB 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 3.37Å |
| 126 | G | 68.3 | Low | 59.2 | Low | 32 Ų | 32 | 99.7 Ų | 99.7 | 33% | 0.33 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | V122 M123 I124 M130 | V122-G126 PolarHBondContact O-N 3.02Å; M123-G126 PolarHBondContact O-N 3.15Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 2.84Å; G126-M130 VanDerWaalsContact O-CB 3.24Å; G126-M130 WeakPolarHBondContact O-CB 3.46Å; G126-M130 PolarHBondContact O-N 3.11Å |
| 127 | R | 60.8 | Low | 59.3 | Low | 180 Ų | 180 | 100 Ų | 100 | 68% | 0.679 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 171.4 | -80.7 | -75.8 | -170.9 | 111.5 | -1 | 111.7 | M123 I124 M130 Q131 | M123-R127 WeakPolarHBondContact O-CB 3.12Å; M123-R127 WeakPolarHBondContact O-CG 3.28Å; M123-R127 PolarHBondContact O-N 3.36Å; I124-R127 WeakPolarHBondContact O-CB 3.42Å; I124-R127 PolarHBondContact O-N 2.82Å; R127-M130 PolarHBondContact O-N 3.13Å; R127-Q131 WeakPolarHBondContact O-CB 3.24Å; R127-Q131 WeakPolarHBondContact O-CG 3.45Å; R127-Q131 PolarHBondContact O-N 2.75Å |
| 128 | V | 66.1 | Low | 59 | Low | 58 Ų | 58 | 99.1 Ų | 99.1 | 35% | 0.352 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 178.2 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | I124 L125 M130 Q131 I132 | I124-V128 HydrophobicContact CG2-CG2 4.41Å; I124-V128 WeakPolarHBondContact O-CB 3.47Å; I124-V128 VanDerWaalsContact O-CG2 3.32Å; I124-V128 WeakPolarHBondContact O-CG2 3.38Å; I124-V128 PolarHBondContact O-N 3.28Å; L125-V128 PolarHBondContact O-N 3.45Å; V128-M130 VanDerWaalsContact C-N 3.34Å; V128-M130 PolarHBondContact O-N 3.32Å; V128-Q131 PolarHBondContact O-N 2.95Å; V128-I132 HydrophobicContact CG1-CD1 3.68Å; V128-I132 HydrophobicContact CG1-CG1 4.37Å; V128-I132 WeakPolarHBondContact O-CB 3.09Å; V128-I132 WeakPolarHBondContact O-CG1 3.19Å; V128-I132 PolarHBondContact O-N 3.03Å |
| 129 | I | 62.5 | Low | 58.5 | Low | 81 Ų | 81 | 96 Ų | 96 | 42% | 0.415 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.6 | -71.8 | 168.1 | 0 | 0 | 0 | 110.4 | L125 I132 I133 | L125-I129 HydrophobicContact CD1-CD1 4.04Å; L125-I129 HydrophobicContact CD1-CG1 4.25Å; L125-I129 HydrophobicContact CD2-CD1 4.49Å; L125-I129 HydrophobicContact CG-CD1 3.8Å; L125-I129 HydrophobicContact CG-CG1 4.42Å; L125-I129 VanDerWaalsContact O-CB 3.31Å; L125-I129 WeakPolarHBondContact O-CB 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 3.37Å; I129-I132 CarbonylContact O-C 3.58Å; I129-I132 PolarHBondContact O-N 2.78Å; I129-I133 HydrophobicContact CG2-CD1 3.66Å; I129-I133 HydrophobicContact CG2-CG1 4.31Å; I129-I133 WeakPolarHBondContact O-CB 3.21Å; I129-I133 VanDerWaalsContact O-CG1 3.23Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.16Å |
| 130 | M | 61.9 | Low | 58.6 | Low | 129 Ų | 129 | 100.6 Ų | 100.6 | 64% | 0.635 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.6 | -32 | 177.3 | -169.4 | 148.4 | 66.7 | 0 | 0 | 112.5 | G126 R127 V128 K134 | G126-M130 VanDerWaalsContact O-CB 3.24Å; G126-M130 WeakPolarHBondContact O-CB 3.46Å; G126-M130 PolarHBondContact O-N 3.11Å; R127-M130 PolarHBondContact O-N 3.13Å; V128-M130 VanDerWaalsContact C-N 3.34Å; V128-M130 PolarHBondContact O-N 3.32Å; M130-K134 WeakPolarHBondContact O-CB 3.17Å; M130-K134 PolarHBondContact O-N 2.98Å |
| 131 | Q | 57.2 | Low | 57.8 | Low | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 166.7 | -79.4 | 175.5 | -21.8 | 0 | 0 | 111 | R127 V128 I133 K134 D135 | R127-Q131 WeakPolarHBondContact O-CB 3.24Å; R127-Q131 WeakPolarHBondContact O-CG 3.45Å; R127-Q131 PolarHBondContact O-N 2.75Å; V128-Q131 PolarHBondContact O-N 2.95Å; Q131-I133 VanDerWaalsContact C-N 3.32Å; Q131-I133 PolarHBondContact O-N 3.48Å; Q131-K134 CarbonylContact O-C 3.59Å; Q131-K134 PolarHBondContact O-N 2.8Å; Q131-D135 VanDerWaalsContact O-CB 3.26Å; Q131-D135 WeakPolarHBondContact O-CB 3.35Å; Q131-D135 VanDerWaalsContact O-CG 3.29Å; Q131-D135 PolarHBondContact O-N 3.2Å |
| 132 | I | 61.6 | Low | 56.9 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 176.5 | -70.1 | 164.5 | 0 | 0 | 0 | 111.1 | V128 I129 D135 M136 | V128-I132 HydrophobicContact CG1-CD1 3.68Å; V128-I132 HydrophobicContact CG1-CG1 4.37Å; V128-I132 WeakPolarHBondContact O-CB 3.09Å; V128-I132 WeakPolarHBondContact O-CG1 3.19Å; V128-I132 PolarHBondContact O-N 3.03Å; I129-I132 CarbonylContact O-C 3.58Å; I129-I132 PolarHBondContact O-N 2.78Å; I132-D135 CarbonylContact O-C 3.6Å; I132-M136 WeakPolarHBondContact O-CA 3.32Å; I132-M136 WeakPolarHBondContact O-CB 3.47Å; I132-M136 PolarHBondContact O-N 3.46Å |
| 133 | I | 63.5 | Low | 56 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.4 | -44.4 | 175.9 | -70.7 | 166.4 | 0 | 0 | 0 | 110.3 | I129 Q131 D135 M136 V137 | I129-I133 HydrophobicContact CG2-CD1 3.66Å; I129-I133 HydrophobicContact CG2-CG1 4.31Å; I129-I133 WeakPolarHBondContact O-CB 3.21Å; I129-I133 VanDerWaalsContact O-CG1 3.23Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.16Å; Q131-I133 VanDerWaalsContact C-N 3.32Å; Q131-I133 PolarHBondContact O-N 3.48Å; I133-D135 VanDerWaalsContact C-N 3.33Å; I133-D135 PolarHBondContact O-N 2.83Å; I133-M136 HydrophobicContact CG1-CE 4.25Å; I133-M136 PolarHBondContact O-N 2.66Å; I133-V137 WeakPolarHBondContact O-CB 3.16Å; I133-V137 VanDerWaalsContact O-CG2 3.27Å; I133-V137 WeakPolarHBondContact O-CG2 3.32Å; I133-V137 PolarHBondContact O-N 2.99Å |
| 134 | K | 57.3 | Low | 55.7 | Low | 138 Ų | 138 | 103.1 Ų | 103.1 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 175.2 | 179.5 | 169.9 | 177.5 | 170 | 0 | 111.3 | M130 Q131 V137 L138 | M130-K134 WeakPolarHBondContact O-CB 3.17Å; M130-K134 PolarHBondContact O-N 2.98Å; Q131-K134 CarbonylContact O-C 3.59Å; Q131-K134 PolarHBondContact O-N 2.8Å; K134-V137 PolarHBondContact O-N 3.39Å; K134-L138 HydrophobicContact CG-CD1 3.93Å; K134-L138 WeakPolarHBondContact O-CB 3.33Å; K134-L138 VanDerWaalsContact O-CG 3.25Å; K134-L138 WeakPolarHBondContact O-CG 3.28Å; K134-L138 PolarHBondContact O-N 2.72Å |
| 135 | D | 47.9 | Very low | 54.7 | Low | 93 Ų | 93 | 104.3 Ų | 104.3 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.3 | -23.4 | 178 | -68.4 | -17.5 | 0 | 0 | 0 | 112.2 | Q131 I132 I133 S139 | Q131-D135 VanDerWaalsContact O-CB 3.26Å; Q131-D135 WeakPolarHBondContact O-CB 3.35Å; Q131-D135 VanDerWaalsContact O-CG 3.29Å; Q131-D135 PolarHBondContact O-N 3.2Å; I132-D135 CarbonylContact O-C 3.6Å; I133-D135 VanDerWaalsContact C-N 3.33Å; I133-D135 PolarHBondContact O-N 2.83Å; D135-S139 VanDerWaalsContact O-CA 3.32Å; D135-S139 WeakPolarHBondContact O-CA 3.49Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 3.29Å; D135-S139 PolarHBondContact O-OG 3.18Å |
| 136 | M | 43 | Very low | 53.5 | Low | 108 Ų | 108 | 104 Ų | 104 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -78.9 | -30.3 | 170.9 | -178.9 | 173.3 | 55.6 | 0 | 0 | 111.6 | I132 I133 S139 R140 | I132-M136 WeakPolarHBondContact O-CA 3.32Å; I132-M136 WeakPolarHBondContact O-CB 3.47Å; I132-M136 PolarHBondContact O-N 3.46Å; I133-M136 HydrophobicContact CG1-CE 4.25Å; I133-M136 PolarHBondContact O-N 2.66Å; M136-S139 WeakPolarHBondContact CA-OG 3.45Å; M136-S139 CarbonylContact O-C 3.59Å; M136-R140 PolarHBondContact O-N 2.99Å |
| 137 | V | 54.7 | Low | 52.6 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.8 | -46.3 | 169.6 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | I133 K134 S139 R140 | I133-V137 WeakPolarHBondContact O-CB 3.16Å; I133-V137 VanDerWaalsContact O-CG2 3.27Å; I133-V137 WeakPolarHBondContact O-CG2 3.32Å; I133-V137 PolarHBondContact O-N 2.99Å; K134-V137 PolarHBondContact O-N 3.39Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 3.36Å; V137-R140 WeakPolarHBondContact O-CB 3.45Å; V137-R140 PolarHBondContact O-N 2.67Å |
| 138 | L | 49.5 | Very low | 52 | Low | 103 Ų | 103 | 109.3 Ų | 109.3 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.3 | -23.1 | 174.5 | -69.3 | 169.5 | 0 | 0 | 0 | 113.4 | K134 T141 | K134-L138 HydrophobicContact CG-CD1 3.93Å; K134-L138 WeakPolarHBondContact O-CB 3.33Å; K134-L138 VanDerWaalsContact O-CG 3.25Å; K134-L138 WeakPolarHBondContact O-CG 3.28Å; K134-L138 PolarHBondContact O-N 2.72Å; L138-T141 PolarHBondContact O-OG1 3.15Å |
| 139 | S | 42.6 | Very low | 51 | Low | 33 Ų | 33 | 109.8 Ų | 109.8 | 23% | 0.231 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 4.6 | 170.9 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | D135 M136 V137 T141 R142 G143 | D135-S139 VanDerWaalsContact O-CA 3.32Å; D135-S139 WeakPolarHBondContact O-CA 3.49Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 3.29Å; D135-S139 PolarHBondContact O-OG 3.18Å; M136-S139 WeakPolarHBondContact CA-OG 3.45Å; M136-S139 CarbonylContact O-C 3.59Å; V137-S139 VanDerWaalsContact C-N 3.32Å; V137-S139 PolarHBondContact O-N 3.36Å; S139-T141 PolarHBondContact O-N 3.49Å; S139-T141 VanDerWaalsContact O-N 3.15Å; S139-R142 PolarHBondContact O-N 3.26Å; S139-R142 VanDerWaalsContact O-N 3.08Å; S139-G143 VanDerWaalsContact O-CA 3.23Å; S139-G143 WeakPolarHBondContact O-CA 3.33Å; S139-G143 PolarHBondContact O-N 3.26Å |
| 140 | R | 50.4 | Low | 50.2 | Low | 214 Ų | 214 | 111.7 Ų | 111.7 | 81% | 0.808 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -22.6 | 160.4 | -166.1 | 170.1 | -179.8 | 171.5 | 0.1 | 111.3 | M136 V137 | M136-R140 PolarHBondContact O-N 2.99Å; V137-R140 WeakPolarHBondContact O-CB 3.45Å; V137-R140 PolarHBondContact O-N 2.67Å |
| 141 | T | 45.5 | Very low | 49.7 | Very low | 134 Ų | 134 | 108.3 Ų | 108.3 | 82% | 0.822 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -10.1 | 171 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | L138 S139 | L138-T141 PolarHBondContact O-OG1 3.15Å; S139-T141 PolarHBondContact O-N 3.49Å; S139-T141 VanDerWaalsContact O-N 3.15Å |
| 142 | R | 44 | Very low | 49.1 | Very low | 177 Ų | 177 | 109.1 Ų | 109.1 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | -12.9 | -173.2 | -159.4 | 175 | -178.2 | 175.5 | 1 | 115.5 | S139 A144 Q145 L146 | S139-R142 PolarHBondContact O-N 3.26Å; S139-R142 VanDerWaalsContact O-N 3.08Å; R142-A144 PolarHBondContact O-N 3.35Å; R142-Q145 WeakPolarHBondContact O-CB 3.49Å; R142-Q145 PolarHBondContact O-N 2.84Å; R142-Q145 VanDerWaalsContact O-N 3.11Å; R142-L146 PolarHBondContact O-N 2.87Å |
| 143 | G | 47.3 | Very low | 48.1 | Very low | 21 Ų | 21 | 107.3 Ų | 107.3 | 22% | 0.216 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -74.5 | -26.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S139 Q145 L146 W147 | S139-G143 VanDerWaalsContact O-CA 3.23Å; S139-G143 WeakPolarHBondContact O-CA 3.33Å; S139-G143 PolarHBondContact O-N 3.26Å; G143-Q145 PolarHBondContact O-N 3.19Å; G143-Q145 VanDerWaalsContact O-N 3.16Å; G143-L146 PolarHBondContact O-N 3.38Å; G143-W147 WeakPolarHBondContact O-CB 3.47Å; G143-W147 PolarHBondContact O-N 3.27Å |
| 144 | A | 50.7 | Low | 47.3 | Very low | 72 Ų | 72 | 111 Ų | 111 | 60% | 0.595 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.5 | -21 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | R142 R148 | R142-A144 PolarHBondContact O-N 3.35Å; A144-R148 PolarHBondContact O-NH1 2.94Å |
| 145 | Q | 43.9 | Very low | 46.8 | Very low | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -89.1 | -44.6 | 174.4 | -63.4 | -64.9 | -8.1 | 0 | 0 | 112 | R142 G143 W147 R148 S149 | R142-Q145 WeakPolarHBondContact O-CB 3.49Å; R142-Q145 PolarHBondContact O-N 2.84Å; R142-Q145 VanDerWaalsContact O-N 3.11Å; G143-Q145 PolarHBondContact O-N 3.19Å; G143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-W147 VanDerWaalsContact C-N 3.31Å; Q145-W147 PolarHBondContact O-N 3.42Å; Q145-R148 PolarHBondContact O-N 2.9Å; Q145-S149 PolarHBondContact O-N 3.47Å |
| 146 | L | 44.6 | Very low | 46.6 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -33.8 | 179.2 | -68.4 | 171.2 | 0 | 0 | 0 | 112.7 | R142 G143 S149 L150 | R142-L146 PolarHBondContact O-N 2.87Å; G143-L146 PolarHBondContact O-N 3.38Å; L146-S149 PolarHBondContact O-N 3.5Å; L146-L150 WeakPolarHBondContact O-CG 3.27Å; L146-L150 PolarHBondContact O-N 3.09Å |
| 147 | W | 49 | Very low | 46.7 | Very low | 187 Ų | 187 | 113.1 Ų | 113.1 | 71% | 0.708 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.3 | -39.7 | 176.9 | -167.2 | 76.2 | 0 | 0 | 0 | 112.4 | G143 Q145 L150 S151 | G143-W147 WeakPolarHBondContact O-CB 3.47Å; G143-W147 PolarHBondContact O-N 3.27Å; Q145-W147 VanDerWaalsContact C-N 3.31Å; Q145-W147 PolarHBondContact O-N 3.42Å; W147-L150 PolarHBondContact O-N 3.43Å; W147-S151 PolarHBondContact O-N 2.95Å; W147-S151 PolarHBondContact O-OG 3.43Å |
| 148 | R | 48.8 | Very low | 46 | Very low | 138 Ų | 138 | 113.4 Ų | 113.4 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -46.9 | 174.1 | -66.3 | -169.9 | -171 | 95.5 | 1.4 | 112 | A144 Q145 L150 S151 E152 | A144-R148 PolarHBondContact O-NH1 2.94Å; Q145-R148 PolarHBondContact O-N 2.9Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 3.34Å; R148-S151 PolarHBondContact O-N 2.89Å; R148-S151 VanDerWaalsContact O-N 3.16Å; R148-E152 PolarHBondContact O-N 3.12Å |
| 149 | S | 44.5 | Very low | 45.4 | Very low | 68 Ų | 68 | 113.1 Ų | 113.1 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -36.2 | 179 | 174.4 | 0 | 0 | 0 | 0 | 112.9 | Q145 L146 S153 | Q145-S149 PolarHBondContact O-N 3.47Å; L146-S149 PolarHBondContact O-N 3.5Å; S149-S153 VanDerWaalsContact O-CB 3.28Å; S149-S153 WeakPolarHBondContact O-CB 3.42Å; S149-S153 PolarHBondContact O-N 2.96Å |
| 150 | L | 46 | Very low | 45.1 | Very low | 120 Ų | 120 | 121 Ų | 121 | 63% | 0.628 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.2 | -35.7 | 175.3 | -74.9 | 167.2 | 0 | 0 | 0 | 112.7 | L146 W147 R148 W154 | L146-L150 WeakPolarHBondContact O-CG 3.27Å; L146-L150 PolarHBondContact O-N 3.09Å; W147-L150 PolarHBondContact O-N 3.43Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 3.34Å; L150-W154 WeakPolarHBondContact O-CB 3.4Å; L150-W154 PolarHBondContact O-N 3.23Å |
| 151 | S | 52.7 | Low | 45.1 | Very low | 58 Ų | 58 | 116.4 Ų | 116.4 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.2 | -47.7 | 172.1 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | W147 R148 S153 W154 E155 | W147-S151 PolarHBondContact O-N 2.95Å; W147-S151 PolarHBondContact O-OG 3.43Å; R148-S151 PolarHBondContact O-N 2.89Å; R148-S151 VanDerWaalsContact O-N 3.16Å; S151-S153 PolarHBondContact O-N 3.46Å; S151-W154 PolarHBondContact O-N 2.77Å; S151-E155 PolarHBondContact O-N 2.84Å |
| 152 | E | 44.7 | Very low | 44.7 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.5 | -42.8 | 176.5 | -71.1 | 174.9 | 142.1 | 0 | 0 | 111.7 | R148 W154 E155 V156 | R148-E152 PolarHBondContact O-N 3.12Å; E152-W154 VanDerWaalsContact C-N 3.31Å; E152-W154 PolarHBondContact O-N 3.17Å; E152-E155 PolarHBondContact O-N 3.38Å; E152-V156 WeakPolarHBondContact O-CG2 3.46Å; E152-V156 PolarHBondContact O-N 3.2Å |
| 153 | S | 39.2 | Very low | 44.6 | Very low | 57 Ų | 57 | 115.6 Ų | 115.6 | 40% | 0.399 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62 | -36.8 | 177 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | S149 S151 V156 I157 | S149-S153 VanDerWaalsContact O-CB 3.28Å; S149-S153 WeakPolarHBondContact O-CB 3.42Å; S149-S153 PolarHBondContact O-N 2.96Å; S151-S153 PolarHBondContact O-N 3.46Å; S153-V156 PolarHBondContact O-N 3.34Å; S153-I157 WeakPolarHBondContact O-CD1 3.46Å; S153-I157 WeakPolarHBondContact O-CG1 3.36Å; S153-I157 PolarHBondContact O-N 3.19Å |
| 154 | W | 47.5 | Very low | 44.8 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 61% | 0.614 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.6 | -32.3 | 177.3 | -170.9 | -99.8 | 0 | 0 | 0 | 112.8 | L150 S151 E152 N158 | L150-W154 WeakPolarHBondContact O-CB 3.4Å; L150-W154 PolarHBondContact O-N 3.23Å; S151-W154 PolarHBondContact O-N 2.77Å; E152-W154 VanDerWaalsContact C-N 3.31Å; E152-W154 PolarHBondContact O-N 3.17Å; W154-N158 PolarHBondContact O-ND2 3.03Å |
| 155 | E | 46.7 | Very low | 44.6 | Very low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.9 | -39.7 | 175.2 | -116.3 | 173.9 | 161.1 | 0 | 0 | 112.3 | S151 E152 I157 | S151-E155 PolarHBondContact O-N 2.84Å; E152-E155 PolarHBondContact O-N 3.38Å; E155-I157 PolarHBondContact O-N 2.73Å |
| 156 | V | 44 | Very low | 44.9 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.3 | -33 | -178.5 | 174.1 | 0 | 0 | 0 | 0 | 113.2 | E152 S153 S159 | E152-V156 WeakPolarHBondContact O-CG2 3.46Å; E152-V156 PolarHBondContact O-N 3.2Å; S153-V156 PolarHBondContact O-N 3.34Å; V156-S159 PolarHBondContact O-OG 3.32Å; V156-S159 VanDerWaalsContact O-OG 3.04Å |
| 157 | I | 44.4 | Very low | 44.9 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.9 | -15.8 | -170.2 | -69 | 168.3 | 0 | 0 | 0 | 113.4 | S153 E155 S159 | S153-I157 WeakPolarHBondContact O-CD1 3.46Å; S153-I157 WeakPolarHBondContact O-CG1 3.36Å; S153-I157 PolarHBondContact O-N 3.19Å; E155-I157 PolarHBondContact O-N 2.73Å; I157-S159 PolarHBondContact O-N 3.49Å; I157-S159 VanDerWaalsContact O-N 3.14Å |
| 158 | N | 39.4 | Very low | 45.2 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 56% | 0.556 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 15.5 | -176.8 | -80.7 | -72.6 | 0 | 0 | 0 | 115.1 | W154 K160 | W154-N158 PolarHBondContact O-ND2 3.03Å; N158-K160 PolarHBondContact O-N 2.84Å |
| 159 | S | 37.5 | Very low | 45.5 | Very low | 98 Ų | 98 | 120 Ų | 120 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | trans | -88.8 | 9.4 | -167.4 | 49.7 | 0 | 0 | 0 | 0 | 116.8 | V156 I157 | V156-S159 PolarHBondContact O-OG 3.32Å; V156-S159 VanDerWaalsContact O-OG 3.04Å; I157-S159 PolarHBondContact O-N 3.49Å; I157-S159 VanDerWaalsContact O-N 3.14Å | ||
| 160 | K | 36.8 | Very low | 45.5 | Very low | 199 Ų | 199 | 117.8 Ų | 117.8 | 87% | 0.865 | 59% | 0.594 | S | S | * | * | trans | -133.2 | 109.8 | 171.6 | -89.7 | -172.1 | 174.2 | 178.2 | 0 | 113.3 | N158 | N158-K160 PolarHBondContact O-N 2.84Š| ||
| 161 | P | 49.3 | Very low | 45.9 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 75% | 0.753 | 59% | 0.593 | S | S | * | * | trans | -95.9 | 129.2 | 176.1 | 35.1 | -29.7 | 0 | 0 | 0 | 112 | ||||
| 162 | D | 37.8 | Very low | 46 | Very low | 144 Ų | 144 | 116.1 Ų | 116.1 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | S | Bend | -169.3 | 161.8 | 109.6 | -117 | -36.8 | 0 | 0 | 0 | 111 | R164 | D162-R164 PolarHBondContact O-N 3.28Š| |
| 163 | E | 41.7 | Very low | 46.5 | Very low | 150 Ų | 150 | 113.8 Ų | 113.8 | 70% | 0.701 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 53.7 | -24 | -176.2 | -77.7 | -171.7 | 139.1 | 0 | 0 | 118.8 | K90 P165 | K90-E163 IonicContact NZ-OE1 3.17Å; K90-E163 PolarHBondContact NZ-OE1 3.2Å; K90-E163 VanDerWaalsContact NZ-OE1 3.17Å; E163-P165 WeakPolarHBondContact O-CD 3.37Å |
| 164 | R | 50.8 | Low | 46.8 | Very low | 213 Ų | 213 | 114.9 Ų | 114.9 | 80% | 0.804 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -21.3 | 174.4 | -86.2 | -175 | 176.3 | 177.8 | 0.1 | 118.9 | D162 R166 S168 | D162-R164 PolarHBondContact O-N 3.28Å; R164-R166 PolarHBondContact O-N 2.9Å; R164-S168 PolarHBondContact O-N 3.37Å; R164-S168 PolarHBondContact O-OG 2.86Å |
| 165 | P | 46.7 | Very low | 47.4 | Very low | 79 Ų | 79 | 115.5 Ų | 115.5 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.3 | -20.1 | -158.8 | 26.2 | -34 | 0 | 0 | 0 | 115.6 | E163 S168 H169 | E163-P165 WeakPolarHBondContact O-CD 3.37Å; P165-S168 WeakPolarHBondContact CA-OG 3.19Å; P165-S168 PolarHBondContact O-OG 2.71Å; P165-H169 WeakPolarHBondContact O-CB 3.29Å; P165-H169 PolarHBondContact O-N 3.37Å |
| 166 | R | 50.7 | Low | 47.7 | Very low | 190 Ų | 190 | 113.8 Ų | 113.8 | 72% | 0.717 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -79 | -40.3 | -175.2 | -67 | -174.2 | -179.2 | -170.8 | 0.2 | 113.4 | R164 C170 | R164-R166 PolarHBondContact O-N 2.9Å; R166-C170 WeakPolarHBondContact O-CB 3.06Å; R166-C170 PolarHBondContact O-N 3.35Å |
| 167 | L | 44.1 | Very low | 48.2 | Very low | 64 Ų | 64 | 113.6 Ų | 113.6 | 34% | 0.335 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -77.6 | -39.7 | 176.6 | -64.6 | -179.5 | 0 | 0 | 0 | 111 | H169 C170 I171 P231 | L167-H169 VanDerWaalsContact C-N 3.35Å; L167-H169 PolarHBondContact O-N 3.48Å; L167-C170 PolarHBondContact O-N 3.04Å; L167-I171 VanDerWaalsContact O-CB 3.29Å; L167-I171 WeakPolarHBondContact O-CB 3.3Å; L167-I171 WeakPolarHBondContact O-CD1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.11Å; L167-I171 PolarHBondContact O-N 3.06Å; L167-P231 HydrophobicContact CD2-CB 3.8Å; L167-P231 HydrophobicContact CD2-CG 4.02Å |
| 168 | S | 56.7 | Low | 48.2 | Very low | 55 Ų | 55 | 113 Ų | 113 | 39% | 0.385 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -42.4 | 173.5 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | R164 P165 I171 A172 | R164-S168 PolarHBondContact O-N 3.37Å; R164-S168 PolarHBondContact O-OG 2.86Å; P165-S168 WeakPolarHBondContact CA-OG 3.19Å; P165-S168 PolarHBondContact O-OG 2.71Å; S168-I171 PolarHBondContact O-N 2.98Å; S168-A172 WeakPolarHBondContact O-CB 3.32Å; S168-A172 PolarHBondContact O-N 3.39Å |
| 169 | H | 54.3 | Low | 48.6 | Very low | 125 Ų | 125 | 110.3 Ų | 110.3 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -44.7 | 175.1 | -170.5 | -66.7 | 0 | 0 | 0 | 112.2 | P165 L167 I171 A172 E173 | P165-H169 WeakPolarHBondContact O-CB 3.29Å; P165-H169 PolarHBondContact O-N 3.37Å; L167-H169 VanDerWaalsContact C-N 3.35Å; L167-H169 PolarHBondContact O-N 3.48Å; H169-I171 PolarHBondContact O-N 2.78Å; H169-A172 PolarHBondContact O-N 2.96Å; H169-E173 IonicContact CE1-OE2 3.96Å; H169-E173 IonicContact ND1-OE2 3.67Å; H169-E173 WeakPolarHBondContact O-CB 3.25Å; H169-E173 PolarHBondContact O-N 2.8Å |
| 170 | C | 44.7 | Very low | 49.9 | Very low | 22 Ų | 22 | 109.8 Ų | 109.8 | 15% | 0.149 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -68.6 | -33.5 | 179.6 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | R166 L167 S174 K234 | R166-C170 WeakPolarHBondContact O-CB 3.06Å; R166-C170 PolarHBondContact O-N 3.35Å; L167-C170 PolarHBondContact O-N 3.04Å; C170-S174 VanDerWaalsContact O-CB 3.3Å; C170-S174 WeakPolarHBondContact O-CB 3.4Å; C170-S174 PolarHBondContact O-N 3.47Å; C170-K234 PolarHBondContact SG-NZ 3.5Å |
| 171 | I | 53.4 | Low | 50.6 | Low | 117 Ų | 117 | 105.6 Ų | 105.6 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.9 | -45.7 | 173.4 | -69.1 | 165.9 | 0 | 0 | 0 | 109.7 | L167 S168 H169 E173 S174 W175 | L167-I171 VanDerWaalsContact O-CB 3.29Å; L167-I171 WeakPolarHBondContact O-CB 3.3Å; L167-I171 WeakPolarHBondContact O-CD1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.11Å; L167-I171 PolarHBondContact O-N 3.06Å; S168-I171 PolarHBondContact O-N 2.98Å; H169-I171 PolarHBondContact O-N 2.78Å; I171-E173 VanDerWaalsContact C-N 3.34Å; I171-E173 PolarHBondContact O-N 2.77Å; I171-S174 PolarHBondContact O-N 3.45Å; I171-W175 WeakPolarHBondContact O-CB 3.29Å; I171-W175 PolarHBondContact O-N 2.72Å |
| 172 | A | 55.5 | Low | 50.9 | Low | 26 Ų | 26 | 104.3 Ų | 104.3 | 22% | 0.215 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S168 H169 W175 M176 | S168-A172 WeakPolarHBondContact O-CB 3.32Å; S168-A172 PolarHBondContact O-N 3.39Å; H169-A172 PolarHBondContact O-N 2.96Å; A172-W175 CarbonylContact O-C 3.59Å; A172-W175 PolarHBondContact O-N 2.77Å; A172-M176 VanDerWaalsContact O-CB 3.25Å; A172-M176 WeakPolarHBondContact O-CB 3.21Å; A172-M176 WeakPolarHBondContact O-CG 3.26Å; A172-M176 PolarHBondContact O-N 3.21Å |
| 173 | E | 54.9 | Low | 51.7 | Low | 83 Ų | 83 | 102.7 Ų | 102.7 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 176.1 | -175.9 | 177.6 | -159.6 | 0 | 0 | 111.3 | H169 I171 W175 M176 N177 | H169-E173 IonicContact CE1-OE2 3.96Å; H169-E173 IonicContact ND1-OE2 3.67Å; H169-E173 WeakPolarHBondContact O-CB 3.25Å; H169-E173 PolarHBondContact O-N 2.8Å; I171-E173 VanDerWaalsContact C-N 3.34Å; I171-E173 PolarHBondContact O-N 2.77Å; E173-W175 VanDerWaalsContact C-N 3.31Å; E173-W175 PolarHBondContact O-N 2.94Å; E173-M176 PolarHBondContact O-N 2.74Å; E173-N177 PolarHBondContact O-N 3.37Å; E173-N177 PolarHBondContact O-ND2 3.46Å |
| 174 | S | 45.3 | Very low | 52.4 | Low | 81 Ų | 81 | 100.8 Ų | 100.8 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -35.5 | 173.9 | -169 | 0 | 0 | 0 | 0 | 112.3 | C170 I171 F178 | C170-S174 VanDerWaalsContact O-CB 3.3Å; C170-S174 WeakPolarHBondContact O-CB 3.4Å; C170-S174 PolarHBondContact O-N 3.47Å; I171-S174 PolarHBondContact O-N 3.45Å; S174-F178 VanDerWaalsContact O-CB 3.29Å; S174-F178 WeakPolarHBondContact O-CB 3.5Å; S174-F178 PolarHBondContact O-N 3.37Å |
| 175 | W | 61.8 | Low | 52.5 | Low | 174 Ų | 174 | 91.9 Ų | 91.9 | 66% | 0.659 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.7 | -38.6 | 176.4 | -177.8 | -96.6 | 0 | 0 | 0 | 111.6 | I171 A172 E173 F178 S179 | I171-W175 WeakPolarHBondContact O-CB 3.29Å; I171-W175 PolarHBondContact O-N 2.72Å; A172-W175 CarbonylContact O-C 3.59Å; A172-W175 PolarHBondContact O-N 2.77Å; E173-W175 VanDerWaalsContact C-N 3.31Å; E173-W175 PolarHBondContact O-N 2.94Å; W175-F178 PolarHBondContact O-N 3.46Å; W175-S179 WeakPolarHBondContact O-CB 3.44Å; W175-S179 PolarHBondContact O-N 3.5Å; W175-S179 PolarHBondContact O-OG 2.86Å |
| 176 | M | 53 | Low | 52.8 | Low | 126 Ų | 126 | 91.3 Ų | 91.3 | 62% | 0.621 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.1 | -49.2 | 173.1 | -80.7 | 174.8 | 171.8 | 0 | 0 | 110.4 | A172 E173 F178 S179 L180 | A172-M176 VanDerWaalsContact O-CB 3.25Å; A172-M176 WeakPolarHBondContact O-CB 3.21Å; A172-M176 WeakPolarHBondContact O-CG 3.26Å; A172-M176 PolarHBondContact O-N 3.21Å; E173-M176 PolarHBondContact O-N 2.74Å; M176-F178 VanDerWaalsContact C-N 3.34Å; M176-F178 PolarHBondContact O-N 2.79Å; M176-S179 WeakPolarHBondContact CA-OG 3.36Å; M176-S179 PolarHBondContact O-N 3.42Å; M176-S179 PolarHBondContact O-OG 3.44Å; M176-L180 VanDerWaalsContact O-CB 3.32Å; M176-L180 WeakPolarHBondContact O-CB 3.39Å; M176-L180 PolarHBondContact O-N 3.42Å |
| 177 | N | 54.4 | Low | 53 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.9 | -78.2 | -76.6 | 0 | 0 | 0 | 112.3 | E173 L180 F181 | E173-N177 PolarHBondContact O-N 3.37Å; E173-N177 PolarHBondContact O-ND2 3.46Å; N177-L180 PolarHBondContact O-N 3.39Å; N177-F181 WeakPolarHBondContact O-CB 3.45Å; N177-F181 PolarHBondContact O-N 2.94Å |
| 178 | F | 44.2 | Very low | 53.4 | Low | 105 Ų | 105 | 89 Ų | 89 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.4 | -177.4 | -111.9 | 0 | 0 | 0 | 112.6 | S174 W175 M176 F181 L182 | S174-F178 VanDerWaalsContact O-CB 3.29Å; S174-F178 WeakPolarHBondContact O-CB 3.5Å; S174-F178 PolarHBondContact O-N 3.37Å; W175-F178 PolarHBondContact O-N 3.46Å; M176-F178 VanDerWaalsContact C-N 3.34Å; M176-F178 PolarHBondContact O-N 2.79Å; F178-F181 PolarHBondContact O-N 2.85Å; F178-L182 HydrophobicContact CD1-CD1 3.89Å; F178-L182 HydrophobicContact CD1-CG 4.44Å; F178-L182 HydrophobicContact CE1-CD1 3.44Å; F178-L182 VanDerWaalsContact CE1-CD1 3.44Å; F178-L182 HydrophobicContact CE1-CG 4.13Å; F178-L182 HydrophobicContact CE2-CG 4.43Å; F178-L182 HydrophobicContact CZ-CD1 3.83Å; F178-L182 HydrophobicContact CZ-CD2 4.32Å; F178-L182 HydrophobicContact CZ-CG 4.12Å; F178-L182 WeakPolarHBondContact O-CB 3.36Å; F178-L182 WeakPolarHBondContact O-CG 3.4Å; F178-L182 PolarHBondContact O-N 2.92Å |
| 179 | S | 47.3 | Very low | 53.3 | Low | 47 Ų | 47 | 91.9 Ų | 91.9 | 33% | 0.329 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 176.2 | 73 | 0 | 0 | 0 | 0 | 112.2 | W175 M176 L182 Q183 | W175-S179 WeakPolarHBondContact O-CB 3.44Å; W175-S179 PolarHBondContact O-N 3.5Å; W175-S179 PolarHBondContact O-OG 2.86Å; M176-S179 WeakPolarHBondContact CA-OG 3.36Å; M176-S179 PolarHBondContact O-N 3.42Å; M176-S179 PolarHBondContact O-OG 3.44Å; S179-L182 PolarHBondContact O-N 2.81Å; S179-Q183 WeakPolarHBondContact O-CB 3.42Å; S179-Q183 PolarHBondContact O-N 3Å |
| 180 | L | 63.9 | Low | 53.4 | Low | 87 Ų | 87 | 93.3 Ų | 93.3 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 173.8 | -176.9 | 65 | 0 | 0 | 0 | 110.4 | M176 N177 L182 Q183 E184 | M176-L180 VanDerWaalsContact O-CB 3.32Å; M176-L180 WeakPolarHBondContact O-CB 3.39Å; M176-L180 PolarHBondContact O-N 3.42Å; N177-L180 PolarHBondContact O-N 3.39Å; L180-L182 PolarHBondContact O-N 3.09Å; L180-Q183 CarbonylContact O-C 3.58Å; L180-Q183 WeakPolarHBondContact O-CB 3.38Å; L180-Q183 PolarHBondContact O-N 2.87Å; L180-Q183 VanDerWaalsContact O-N 3.16Å; L180-E184 WeakPolarHBondContact O-CG 3.38Å; L180-E184 PolarHBondContact O-N 2.85Å |
| 181 | F | 52.1 | Low | 53.8 | Low | 111 Ų | 111 | 100.3 Ų | 100.3 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 172.4 | 179 | -102.1 | 0 | 0 | 0 | 112.1 | N177 F178 Q183 E184 M185 | N177-F181 WeakPolarHBondContact O-CB 3.45Å; N177-F181 PolarHBondContact O-N 2.94Å; F178-F181 PolarHBondContact O-N 2.85Å; F181-Q183 VanDerWaalsContact C-N 3.32Å; F181-Q183 PolarHBondContact O-N 3.47Å; F181-E184 PolarHBondContact O-N 3.49Å; F181-M185 HydrophobicContact CD2-CE 4.33Å; F181-M185 HydrophobicContact CE1-CE 3.78Å; F181-M185 HydrophobicContact CE2-CE 3.56Å; F181-M185 HydrophobicContact CZ-CE 3.25Å; F181-M185 VanDerWaalsContact O-CB 3.26Å; F181-M185 WeakPolarHBondContact O-CB 3.4Å; F181-M185 PolarHBondContact O-N 3.24Å |
| 182 | L | 55.8 | Low | 53.9 | Low | 89 Ų | 89 | 95.9 Ų | 95.9 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 173.3 | -74.4 | 178.9 | 0 | 0 | 0 | 112.4 | F178 S179 L180 M185 S186 | F178-L182 HydrophobicContact CD1-CD1 3.89Å; F178-L182 HydrophobicContact CD1-CG 4.44Å; F178-L182 HydrophobicContact CE1-CD1 3.44Å; F178-L182 VanDerWaalsContact CE1-CD1 3.44Å; F178-L182 HydrophobicContact CE1-CG 4.13Å; F178-L182 HydrophobicContact CE2-CG 4.43Å; F178-L182 HydrophobicContact CZ-CD1 3.83Å; F178-L182 HydrophobicContact CZ-CD2 4.32Å; F178-L182 HydrophobicContact CZ-CG 4.12Å; F178-L182 WeakPolarHBondContact O-CB 3.36Å; F178-L182 WeakPolarHBondContact O-CG 3.4Å; F178-L182 PolarHBondContact O-N 2.92Å; S179-L182 PolarHBondContact O-N 2.81Å; L180-L182 PolarHBondContact O-N 3.09Å; L182-M185 PolarHBondContact O-N 3.46Å; L182-S186 WeakPolarHBondContact O-CB 3.43Å; L182-S186 PolarHBondContact O-N 2.97Å |
| 183 | Q | 54.9 | Low | 54.4 | Low | 111 Ų | 111 | 99.4 Ų | 99.4 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -44.6 | 177.3 | -178.8 | 174.2 | -27.3 | 0 | 0 | 111 | S179 L180 F181 S186 L187 | S179-Q183 WeakPolarHBondContact O-CB 3.42Å; S179-Q183 PolarHBondContact O-N 3Å; L180-Q183 CarbonylContact O-C 3.58Å; L180-Q183 WeakPolarHBondContact O-CB 3.38Å; L180-Q183 PolarHBondContact O-N 2.87Å; L180-Q183 VanDerWaalsContact O-N 3.16Å; F181-Q183 VanDerWaalsContact C-N 3.32Å; F181-Q183 PolarHBondContact O-N 3.47Å; Q183-S186 WeakPolarHBondContact O-CB 3.25Å; Q183-S186 PolarHBondContact O-N 3.34Å; Q183-S186 PolarHBondContact O-OG 3.06Å; Q183-L187 PolarHBondContact O-N 3.24Å |
| 184 | E | 55.9 | Low | 55 | Low | 109 Ų | 109 | 97.6 Ų | 97.6 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 170.2 | -72.4 | -172.9 | 163.7 | 0 | 0 | 111.6 | L180 F181 S186 L187 F188 | L180-E184 WeakPolarHBondContact O-CG 3.38Å; L180-E184 PolarHBondContact O-N 2.85Å; F181-E184 PolarHBondContact O-N 3.49Å; E184-S186 PolarHBondContact O-N 3.29Å; E184-L187 WeakPolarHBondContact O-CB 3.46Å; E184-L187 PolarHBondContact O-N 3.36Å; E184-L187 VanDerWaalsContact O-N 3.09Å; E184-F188 WeakPolarHBondContact O-CD2 3.45Å; E184-F188 PolarHBondContact O-N 2.84Å |
| 185 | M | 52.3 | Low | 56 | Low | 27 Ų | 27 | 100.6 Ų | 100.6 | 13% | 0.133 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.3 | -28.2 | 175.4 | -151.2 | 64.2 | 66.7 | 0 | 0 | 112.3 | F181 L182 K189 F196 L199 | F181-M185 HydrophobicContact CD2-CE 4.33Å; F181-M185 HydrophobicContact CE1-CE 3.78Å; F181-M185 HydrophobicContact CE2-CE 3.56Å; F181-M185 HydrophobicContact CZ-CE 3.25Å; F181-M185 VanDerWaalsContact O-CB 3.26Å; F181-M185 WeakPolarHBondContact O-CB 3.4Å; F181-M185 PolarHBondContact O-N 3.24Å; L182-M185 PolarHBondContact O-N 3.46Å; M185-K189 PolarHBondContact O-N 3.45Å; M185-K189 VanDerWaalsContact O-N 3.15Å; M185-F196 HydrophobicContact CG-CD2 4.15Å; M185-F196 HydrophobicContact CG-CE2 4.1Å; M185-L199 HydrophobicContact CE-CD1 3.83Å; M185-L199 HydrophobicContact CE-CD2 4.1Å; M185-L199 HydrophobicContact CG-CD2 4.3Å; M185-L199 HydrophobicContact SD-CD1 3.75Å; M185-L199 HydrophobicContact SD-CD2 3.81Å; M185-L199 HydrophobicContact SD-CG 4.39Å |
| 186 | S | 52.8 | Low | 56.2 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.7 | -32.6 | 172.9 | 84 | 0 | 0 | 0 | 0 | 112.9 | L182 Q183 E184 K189 Q190 | L182-S186 WeakPolarHBondContact O-CB 3.43Å; L182-S186 PolarHBondContact O-N 2.97Å; Q183-S186 WeakPolarHBondContact O-CB 3.25Å; Q183-S186 PolarHBondContact O-N 3.34Å; Q183-S186 PolarHBondContact O-OG 3.06Å; E184-S186 PolarHBondContact O-N 3.29Å; S186-K189 WeakPolarHBondContact O-CB 3.36Å; S186-K189 PolarHBondContact O-N 3.48Å; S186-Q190 PolarHBondContact O-N 3.46Å |
| 187 | L | 56.8 | Low | 56.9 | Low | 98 Ų | 98 | 92.3 Ų | 92.3 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 170.2 | -73.3 | 165.3 | 0 | 0 | 0 | 110.8 | Q183 E184 K189 Q190 Q191 | Q183-L187 PolarHBondContact O-N 3.24Å; E184-L187 WeakPolarHBondContact O-CB 3.46Å; E184-L187 PolarHBondContact O-N 3.36Å; E184-L187 VanDerWaalsContact O-N 3.09Å; L187-K189 PolarHBondContact O-N 2.97Å; L187-Q190 WeakPolarHBondContact O-CB 3.22Å; L187-Q190 PolarHBondContact O-N 3.19Å; L187-Q191 PolarHBondContact O-N 3.34Å |
| 188 | F | 51.8 | Low | 57.7 | Low | 108 Ų | 108 | 93.5 Ų | 93.5 | 47% | 0.474 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57 | -35.4 | 172 | -93.8 | -75.6 | 0 | 0 | 0 | 113.1 | E184 Q190 Q191 S192 | E184-F188 WeakPolarHBondContact O-CD2 3.45Å; E184-F188 PolarHBondContact O-N 2.84Å; F188-Q190 PolarHBondContact O-N 3.04Å; F188-Q191 PolarHBondContact O-N 3Å; F188-S192 PolarHBondContact O-N 2.97Å |
| 189 | K | 53.7 | Low | 58.9 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -26.7 | 175.7 | -165.8 | 179 | -177.1 | 177.8 | 0 | 113.1 | M185 S186 L187 F196 | M185-K189 PolarHBondContact O-N 3.45Å; M185-K189 VanDerWaalsContact O-N 3.15Å; S186-K189 WeakPolarHBondContact O-CB 3.36Å; S186-K189 PolarHBondContact O-N 3.48Å; L187-K189 PolarHBondContact O-N 2.97Å; K189-F196 HydrophobicContact CB-CD2 4.02Å; K189-F196 HydrophobicContact CB-CE2 4.46Å; K189-F196 HydrophobicContact CB-CG 4.18Å; K189-F196 HydrophobicContact CD-CD1 4.29Å; K189-F196 HydrophobicContact CD-CD2 4.47Å; K189-F196 HydrophobicContact CD-CE1 4.09Å; K189-F196 HydrophobicContact CD-CE2 4.27Å; K189-F196 HydrophobicContact CD-CG 4.49Å; K189-F196 HydrophobicContact CD-CZ 4.09Å; K189-F196 HydrophobicContact CG-CD1 4.13Å; K189-F196 HydrophobicContact CG-CD2 4.24Å; K189-F196 HydrophobicContact CG-CE1 4.43Å; K189-F196 HydrophobicContact CG-CG 4.04Å |
| 190 | Q | 56.2 | Low | 60.1 | Low | 155 Ų | 155 | 92.9 Ų | 92.9 | 72% | 0.724 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -85.4 | -23.9 | 177.4 | -165.1 | 167.6 | 15 | 0 | 0 | 112.8 | S186 L187 F188 | S186-Q190 PolarHBondContact O-N 3.46Å; L187-Q190 WeakPolarHBondContact O-CB 3.22Å; L187-Q190 PolarHBondContact O-N 3.19Å; F188-Q190 PolarHBondContact O-N 3.04Å |
| 191 | Q | 53.8 | Low | 60 | Low | 168 Ų | 168 | 91.9 Ų | 91.9 | 79% | 0.785 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -100.3 | -25.2 | -175.2 | -144.8 | 173.1 | 15.9 | 0 | 0 | 113.9 | L187 F188 | L187-Q191 PolarHBondContact O-N 3.34Å; F188-Q191 PolarHBondContact O-N 3Å |
| 192 | S | 55.9 | Low | 60.6 | Low | 24 Ų | 24 | 90.3 Ų | 90.3 | 17% | 0.168 | 48% | 0.484 | C | S | . | . | trans | -158.2 | 97.5 | 175.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | F188 G194 K195 F196 | F188-S192 PolarHBondContact O-N 2.97Å; S192-G194 VanDerWaalsContact C-N 3.33Å; S192-G194 PolarHBondContact O-N 3.35Å; S192-K195 PolarHBondContact O-N 3.32Å; S192-F196 PolarHBondContact O-N 3.13Å | ||
| 193 | P | 65.6 | Low | 61.2 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 66% | 0.656 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -33.2 | -174.6 | 24.4 | -33.6 | 0 | 0 | 0 | 113.5 | F196 C197 | P193-F196 PolarHBondContact O-N 3.22Å; P193-C197 PolarHBondContact O-N 3.17Å |
| 194 | G | 68.3 | Low | 61.4 | Low | 45 Ų | 45 | 87.5 Ų | 87.5 | 46% | 0.464 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S192 C197 L198 | S192-G194 VanDerWaalsContact C-N 3.33Å; S192-G194 PolarHBondContact O-N 3.35Å; G194-C197 WeakPolarHBondContact O-CB 3.2Å; G194-C197 PolarHBondContact O-N 2.82Å; G194-L198 WeakPolarHBondContact O-CG 3.17Å; G194-L198 PolarHBondContact O-N 3.42Å |
| 195 | K | 64.8 | Low | 61.9 | Low | 143 Ų | 143 | 86 Ų | 86 | 62% | 0.622 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.4 | -37.3 | 179.2 | -63.6 | -176.2 | -173.9 | 169.5 | 0 | 111.8 | S192 L198 L199 | S192-K195 PolarHBondContact O-N 3.32Å; K195-L198 PolarHBondContact O-N 2.96Å; K195-L199 WeakPolarHBondContact O-CB 3.39Å; K195-L199 PolarHBondContact O-N 3.06Å |
| 196 | F | 67.7 | Low | 62.7 | Low | 55 Ų | 55 | 90.1 Ų | 90.1 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 172.1 | 179.6 | -92.4 | 0 | 0 | 0 | 111.4 | M185 K189 S192 P193 L199 V200 | M185-F196 HydrophobicContact CG-CD2 4.15Å; M185-F196 HydrophobicContact CG-CE2 4.1Å; K189-F196 HydrophobicContact CB-CD2 4.02Å; K189-F196 HydrophobicContact CB-CE2 4.46Å; K189-F196 HydrophobicContact CB-CG 4.18Å; K189-F196 HydrophobicContact CD-CD1 4.29Å; K189-F196 HydrophobicContact CD-CD2 4.47Å; K189-F196 HydrophobicContact CD-CE1 4.09Å; K189-F196 HydrophobicContact CD-CE2 4.27Å; K189-F196 HydrophobicContact CD-CG 4.49Å; K189-F196 HydrophobicContact CD-CZ 4.09Å; K189-F196 HydrophobicContact CG-CD1 4.13Å; K189-F196 HydrophobicContact CG-CD2 4.24Å; K189-F196 HydrophobicContact CG-CE1 4.43Å; K189-F196 HydrophobicContact CG-CG 4.04Å; S192-F196 PolarHBondContact O-N 3.13Å; P193-F196 PolarHBondContact O-N 3.22Å; F196-L199 PolarHBondContact O-N 2.77Å; F196-V200 HydrophobicContact CD1-CG2 4.23Å; F196-V200 HydrophobicContact CE1-CG2 3.76Å; F196-V200 HydrophobicContact CE2-CG2 4.23Å; F196-V200 HydrophobicContact CZ-CG2 3.76Å; F196-V200 WeakPolarHBondContact O-CG2 3.3Å; F196-V200 PolarHBondContact O-N 2.79Å |
| 197 | C | 66.3 | Low | 63.2 | Low | 71 Ų | 71 | 92.7 Ų | 92.7 | 48% | 0.48 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 175.3 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | P193 G194 L199 V200 C201 | P193-C197 PolarHBondContact O-N 3.17Å; G194-C197 WeakPolarHBondContact O-CB 3.2Å; G194-C197 PolarHBondContact O-N 2.82Å; C197-L199 VanDerWaalsContact C-N 3.31Å; C197-L199 PolarHBondContact O-N 3.48Å; C197-V200 PolarHBondContact O-N 3.23Å; C197-C201 WeakPolarHBondContact O-CB 3.2Å; C197-C201 PolarHBondContact O-N 3.31Å; C197-C201 PolarHBondContact O-SG 3.05Å; C197-C201 VanDerWaalsContact O-SG 3.36Å |
| 198 | L | 71.3 | Confident | 63.8 | Low | 128 Ų | 128 | 92.4 Ų | 92.4 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.9 | -37.9 | 177.5 | -70.8 | 173.5 | 0 | 0 | 0 | 112.8 | G194 K195 S202 | G194-L198 WeakPolarHBondContact O-CG 3.17Å; G194-L198 PolarHBondContact O-N 3.42Å; K195-L198 PolarHBondContact O-N 2.96Å; L198-S202 WeakPolarHBondContact O-CB 3.48Å; L198-S202 PolarHBondContact O-N 2.81Å |
| 199 | L | 69.9 | Low | 64.5 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 176.3 | -176.5 | 138.8 | 0 | 0 | 0 | 111.9 | M185 K195 F196 C197 S202 V203 | M185-L199 HydrophobicContact CE-CD1 3.83Å; M185-L199 HydrophobicContact CE-CD2 4.1Å; M185-L199 HydrophobicContact CG-CD2 4.3Å; M185-L199 HydrophobicContact SD-CD1 3.75Å; M185-L199 HydrophobicContact SD-CD2 3.81Å; M185-L199 HydrophobicContact SD-CG 4.39Å; K195-L199 WeakPolarHBondContact O-CB 3.39Å; K195-L199 PolarHBondContact O-N 3.06Å; F196-L199 PolarHBondContact O-N 2.77Å; C197-L199 VanDerWaalsContact C-N 3.31Å; C197-L199 PolarHBondContact O-N 3.48Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-V203 WeakPolarHBondContact O-CB 3.31Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.28Å; L199-V203 PolarHBondContact O-N 2.92Å |
| 200 | V | 72.2 | Confident | 65 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111.3 | F196 C197 V203 C204 | F196-V200 HydrophobicContact CD1-CG2 4.23Å; F196-V200 HydrophobicContact CE1-CG2 3.76Å; F196-V200 HydrophobicContact CE2-CG2 4.23Å; F196-V200 HydrophobicContact CZ-CG2 3.76Å; F196-V200 WeakPolarHBondContact O-CG2 3.3Å; F196-V200 PolarHBondContact O-N 2.79Å; C197-V200 PolarHBondContact O-N 3.23Å; V200-V203 PolarHBondContact O-N 2.87Å; V200-C204 WeakPolarHBondContact O-CB 3.46Å; V200-C204 PolarHBondContact O-N 3.44Å |
| 201 | C | 62.6 | Low | 65.3 | Low | 65 Ų | 65 | 83.1 Ų | 83.1 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.8 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | C197 T205 | C197-C201 WeakPolarHBondContact O-CB 3.2Å; C197-C201 PolarHBondContact O-N 3.31Å; C197-C201 PolarHBondContact O-SG 3.05Å; C197-C201 VanDerWaalsContact O-SG 3.36Å; C201-T205 VanDerWaalsContact O-CB 3.22Å; C201-T205 WeakPolarHBondContact O-CB 3.26Å; C201-T205 PolarHBondContact O-N 3.47Å; C201-T205 PolarHBondContact O-OG1 3.45Å |
| 202 | S | 64.9 | Low | 65.9 | Low | 78 Ų | 78 | 79.8 Ų | 79.8 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | L198 L199 C204 T205 F206 | L198-S202 WeakPolarHBondContact O-CB 3.48Å; L198-S202 PolarHBondContact O-N 2.81Å; L199-S202 PolarHBondContact O-N 3.32Å; S202-C204 PolarHBondContact O-N 2.83Å; S202-T205 PolarHBondContact O-N 2.85Å; S202-F206 WeakPolarHBondContact O-CB 3.18Å; S202-F206 PolarHBondContact O-N 3.39Å |
| 203 | V | 67.7 | Low | 66.1 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L199 V200 F206 F207 | L199-V203 WeakPolarHBondContact O-CB 3.31Å; L199-V203 VanDerWaalsContact O-CG2 3.3Å; L199-V203 WeakPolarHBondContact O-CG2 3.28Å; L199-V203 PolarHBondContact O-N 2.92Å; V200-V203 PolarHBondContact O-N 2.87Å; V203-F206 PolarHBondContact O-N 2.81Å; V203-F207 HydrophobicContact CG1-CD2 3.75Å; V203-F207 HydrophobicContact CG1-CE2 3.47Å; V203-F207 VanDerWaalsContact CG1-CE2 3.47Å; V203-F207 WeakPolarHBondContact O-CD2 2.99Å; V203-F207 PolarHBondContact O-N 2.82Å |
| 204 | C | 59.6 | Low | 66.1 | Low | 75 Ų | 75 | 85.1 Ų | 85.1 | 51% | 0.507 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176.7 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | V200 S202 F206 F207 T208 | V200-C204 WeakPolarHBondContact O-CB 3.46Å; V200-C204 PolarHBondContact O-N 3.44Å; S202-C204 PolarHBondContact O-N 2.83Å; C204-F206 VanDerWaalsContact C-N 3.35Å; C204-F206 PolarHBondContact O-N 3.38Å; C204-F207 PolarHBondContact O-N 2.86Å; C204-T208 WeakPolarHBondContact O-CB 3.3Å; C204-T208 PolarHBondContact O-N 2.85Å; C204-T208 PolarHBondContact O-OG1 3.45Å |
| 205 | T | 66.8 | Low | 66 | Low | 76 Ų | 76 | 86.9 Ų | 86.9 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 111 | C201 S202 T208 I209 | C201-T205 VanDerWaalsContact O-CB 3.22Å; C201-T205 WeakPolarHBondContact O-CB 3.26Å; C201-T205 PolarHBondContact O-N 3.47Å; C201-T205 PolarHBondContact O-OG1 3.45Å; S202-T205 PolarHBondContact O-N 2.85Å; T205-T208 WeakPolarHBondContact O-CB 3.36Å; T205-T208 PolarHBondContact O-N 3.33Å; T205-I209 HydrophobicContact CG2-CD1 3.79Å; T205-I209 HydrophobicContact CG2-CG1 4.38Å; T205-I209 VanDerWaalsContact O-CG1 3.31Å; T205-I209 WeakPolarHBondContact O-CG1 3.41Å; T205-I209 PolarHBondContact O-N 2.82Å |
| 206 | F | 68 | Low | 66 | Low | 114 Ų | 114 | 81.9 Ų | 81.9 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.1 | 176 | -99.9 | 0 | 0 | 0 | 112.1 | S202 V203 C204 T208 I209 L210 | S202-F206 WeakPolarHBondContact O-CB 3.18Å; S202-F206 PolarHBondContact O-N 3.39Å; V203-F206 PolarHBondContact O-N 2.81Å; C204-F206 VanDerWaalsContact C-N 3.35Å; C204-F206 PolarHBondContact O-N 3.38Å; F206-T208 VanDerWaalsContact C-N 3.31Å; F206-T208 PolarHBondContact O-N 3.11Å; F206-I209 PolarHBondContact O-N 3.2Å; F206-L210 HydrophobicContact CD1-CD1 4.49Å; F206-L210 HydrophobicContact CD1-CD2 4.37Å; F206-L210 HydrophobicContact CD2-CD1 4.05Å; F206-L210 HydrophobicContact CE1-CD1 4.08Å; F206-L210 HydrophobicContact CE1-CD2 3.6Å; F206-L210 HydrophobicContact CE1-CG 4.46Å; F206-L210 HydrophobicContact CE2-CD1 3.58Å; F206-L210 HydrophobicContact CE2-CD2 4.5Å; F206-L210 HydrophobicContact CG-CD1 4.48Å; F206-L210 HydrophobicContact CZ-CD1 3.6Å; F206-L210 HydrophobicContact CZ-CD2 3.67Å; F206-L210 HydrophobicContact CZ-CG 4.31Å; F206-L210 WeakPolarHBondContact O-CB 3.22Å; F206-L210 PolarHBondContact O-N 3.25Å |
| 207 | F | 63.1 | Low | 65.6 | Low | 121 Ų | 121 | 81.7 Ų | 81.7 | 53% | 0.531 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -33.1 | 175.4 | -74.9 | -57.2 | 0 | 0 | 0 | 113.1 | V203 C204 G211 | V203-F207 HydrophobicContact CG1-CD2 3.75Å; V203-F207 HydrophobicContact CG1-CE2 3.47Å; V203-F207 VanDerWaalsContact CG1-CE2 3.47Å; V203-F207 WeakPolarHBondContact O-CD2 2.99Å; V203-F207 PolarHBondContact O-N 2.82Å; C204-F207 PolarHBondContact O-N 2.86Å; F207-G211 PolarHBondContact O-N 3.4Å |
| 208 | T | 68.8 | Low | 65.3 | Low | 91 Ų | 91 | 82.1 Ų | 82.1 | 56% | 0.558 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.9 | -46.2 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | C204 T205 F206 G211 S212 | C204-T208 WeakPolarHBondContact O-CB 3.3Å; C204-T208 PolarHBondContact O-N 2.85Å; C204-T208 PolarHBondContact O-OG1 3.45Å; T205-T208 WeakPolarHBondContact O-CB 3.36Å; T205-T208 PolarHBondContact O-N 3.33Å; F206-T208 VanDerWaalsContact C-N 3.31Å; F206-T208 PolarHBondContact O-N 3.11Å; T208-G211 PolarHBondContact O-N 3.3Å; T208-S212 PolarHBondContact O-N 3.49Å; T208-S212 PolarHBondContact O-OG 2.87Å |
| 209 | I | 68.1 | Low | 64.8 | Low | 96 Ų | 96 | 77.8 Ų | 77.8 | 49% | 0.492 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 176.1 | -68.4 | 167.5 | 0 | 0 | 0 | 110.3 | T205 F206 G211 S212 Y213 | T205-I209 HydrophobicContact CG2-CD1 3.79Å; T205-I209 HydrophobicContact CG2-CG1 4.38Å; T205-I209 VanDerWaalsContact O-CG1 3.31Å; T205-I209 WeakPolarHBondContact O-CG1 3.41Å; T205-I209 PolarHBondContact O-N 2.82Å; F206-I209 PolarHBondContact O-N 3.2Å; I209-G211 VanDerWaalsContact C-N 3.32Å; I209-G211 PolarHBondContact O-N 2.8Å; I209-S212 WeakPolarHBondContact CA-OG 3.14Å; I209-S212 PolarHBondContact O-N 2.77Å; I209-S212 VanDerWaalsContact O-N 3.14Å; I209-S212 PolarHBondContact O-OG 3.35Å; I209-Y213 WeakPolarHBondContact O-CB 3.39Å; I209-Y213 PolarHBondContact O-N 3.45Å |
| 210 | L | 62.9 | Low | 64.8 | Low | 45 Ų | 45 | 76.3 Ų | 76.3 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59 | -41.9 | 174.6 | -102.4 | 62.6 | 0 | 0 | 0 | 112.3 | F206 S212 Y213 I214 L219 | F206-L210 HydrophobicContact CD1-CD1 4.49Å; F206-L210 HydrophobicContact CD1-CD2 4.37Å; F206-L210 HydrophobicContact CD2-CD1 4.05Å; F206-L210 HydrophobicContact CE1-CD1 4.08Å; F206-L210 HydrophobicContact CE1-CD2 3.6Å; F206-L210 HydrophobicContact CE1-CG 4.46Å; F206-L210 HydrophobicContact CE2-CD1 3.58Å; F206-L210 HydrophobicContact CE2-CD2 4.5Å; F206-L210 HydrophobicContact CG-CD1 4.48Å; F206-L210 HydrophobicContact CZ-CD1 3.6Å; F206-L210 HydrophobicContact CZ-CD2 3.67Å; F206-L210 HydrophobicContact CZ-CG 4.31Å; F206-L210 WeakPolarHBondContact O-CB 3.22Å; F206-L210 PolarHBondContact O-N 3.25Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 2.9Å; L210-Y213 PolarHBondContact O-N 2.96Å; L210-I214 WeakPolarHBondContact O-CB 3.28Å; L210-I214 PolarHBondContact O-N 2.86Å; L210-L219 HydrophobicContact CB-CD1 4.26Å; L210-L219 HydrophobicContact CD2-CD1 4.31Å; L210-L219 HydrophobicContact CG-CD1 4.43Å |
| 211 | G | 62.8 | Low | 64.3 | Low | 43 Ų | 43 | 75.7 Ų | 75.7 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.8 | -25.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F207 T208 I209 | F207-G211 PolarHBondContact O-N 3.4Å; T208-G211 PolarHBondContact O-N 3.3Å; I209-G211 VanDerWaalsContact C-N 3.32Å; I209-G211 PolarHBondContact O-N 2.8Å |
| 212 | S | 65.9 | Low | 64 | Low | 98 Ų | 98 | 77 Ų | 77 | 69% | 0.685 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -82.1 | -33.1 | 170.8 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | T208 I209 L210 | T208-S212 PolarHBondContact O-N 3.49Å; T208-S212 PolarHBondContact O-OG 2.87Å; I209-S212 WeakPolarHBondContact CA-OG 3.14Å; I209-S212 PolarHBondContact O-N 2.77Å; I209-S212 VanDerWaalsContact O-N 3.14Å; I209-S212 PolarHBondContact O-OG 3.35Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 2.9Å |
| 213 | Y | 61.8 | Low | 63.8 | Low | 193 Ų | 193 | 79.1 Ų | 79.1 | 76% | 0.757 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -82.2 | -30.7 | -177.4 | -174.2 | -116.4 | 0 | 0 | 0 | 112.3 | I209 L210 | I209-Y213 WeakPolarHBondContact O-CB 3.39Å; I209-Y213 PolarHBondContact O-N 3.45Å; L210-Y213 PolarHBondContact O-N 2.96Å |
| 214 | I | 64.1 | Low | 63.6 | Low | 45 Ų | 45 | 79.5 Ų | 79.5 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -128.5 | 123.1 | -174.8 | -62 | 176.2 | 0 | 0 | 0 | 108.5 | L210 G216 I218 L219 | L210-I214 WeakPolarHBondContact O-CB 3.28Å; L210-I214 PolarHBondContact O-N 2.86Å; I214-G216 PolarHBondContact O-N 3.24Å; I214-I218 HydrophobicContact CG2-CB 3.53Å; I214-I218 HydrophobicContact CG2-CG2 3.58Å; I214-L219 HydrophobicContact CB-CD1 4.06Å; I214-L219 HydrophobicContact CD1-CD1 4.15Å; I214-L219 HydrophobicContact CG2-CD1 4.01Å |
| 215 | P | 67.6 | Low | 63.7 | Low | 82 Ų | 82 | 77.8 Ų | 77.8 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | trans | -46.2 | 126.7 | 170.5 | -28.7 | 33.1 | 0 | 0 | 0 | 111 | V217 I218 L219 | P215-V217 CarbonylContact O-C 3.58Å; P215-V217 PolarHBondContact O-N 3.43Å; P215-I218 HydrophobicContact CB-CD1 4.41Å; P215-I218 HydrophobicContact CG-CD1 4.19Å; P215-I218 WeakPolarHBondContact O-CB 3.5Å; P215-I218 PolarHBondContact O-N 3.26Å; P215-L219 PolarHBondContact O-N 3.38Å | ||
| 216 | G | 63.1 | Low | 63.1 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -54.9 | -22.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I214 L219 S220 | I214-G216 PolarHBondContact O-N 3.24Å; G216-L219 PolarHBondContact O-N 3.39Å; G216-S220 WeakPolarHBondContact O-CB 3.5Å; G216-S220 PolarHBondContact O-N 2.85Å; G216-S220 PolarHBondContact O-OG 2.89Å |
| 217 | V | 60 | Low | 62.8 | Low | 51 Ų | 51 | 75 Ų | 75 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.6 | -51.4 | 165.9 | 175.3 | 0 | 0 | 0 | 0 | 112 | F106 A110 P215 L219 S220 Y221 | F106-V217 HydrophobicContact CE1-CG1 3.76Å; F106-V217 HydrophobicContact CZ-CG1 3.59Å; F106-V217 WeakPolarHBondContact CZ-O 3.48Å; A110-V217 HydrophobicContact CB-CG1 3.51Å; A110-V217 HydrophobicContact CB-CG2 4.48Å; P215-V217 CarbonylContact O-C 3.58Å; P215-V217 PolarHBondContact O-N 3.43Å; V217-L219 VanDerWaalsContact C-N 3.28Å; V217-L219 PolarHBondContact O-N 3.48Å; V217-S220 PolarHBondContact O-N 3.35Å; V217-S220 PolarHBondContact O-OG 2.87Å; V217-Y221 VanDerWaalsContact O-CB 3.3Å; V217-Y221 WeakPolarHBondContact O-CB 3.28Å; V217-Y221 PolarHBondContact O-N 3.28Å |
| 218 | I | 60.9 | Low | 62.5 | Low | 80 Ų | 80 | 73.4 Ų | 73.4 | 41% | 0.41 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.5 | -32.3 | -179.7 | -62 | 174 | 0 | 0 | 0 | 110.5 | I214 P215 L222 | I214-I218 HydrophobicContact CG2-CB 3.53Å; I214-I218 HydrophobicContact CG2-CG2 3.58Å; P215-I218 HydrophobicContact CB-CD1 4.41Å; P215-I218 HydrophobicContact CG-CD1 4.19Å; P215-I218 WeakPolarHBondContact O-CB 3.5Å; P215-I218 PolarHBondContact O-N 3.26Å; I218-L222 WeakPolarHBondContact O-CB 3.27Å; I218-L222 PolarHBondContact O-N 2.9Å |
| 219 | L | 60.9 | Low | 62 | Low | 37 Ų | 37 | 71.5 Ų | 71.5 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 174 | -138.1 | 84.4 | 0 | 0 | 0 | 111.9 | L210 I214 P215 G216 V217 L222 L223 | L210-L219 HydrophobicContact CB-CD1 4.26Å; L210-L219 HydrophobicContact CD2-CD1 4.31Å; L210-L219 HydrophobicContact CG-CD1 4.43Å; I214-L219 HydrophobicContact CB-CD1 4.06Å; I214-L219 HydrophobicContact CD1-CD1 4.15Å; I214-L219 HydrophobicContact CG2-CD1 4.01Å; P215-L219 PolarHBondContact O-N 3.38Å; G216-L219 PolarHBondContact O-N 3.39Å; V217-L219 VanDerWaalsContact C-N 3.28Å; V217-L219 PolarHBondContact O-N 3.48Å; L219-L222 PolarHBondContact O-N 2.92Å; L219-L223 WeakPolarHBondContact O-CG 3.46Å; L219-L223 PolarHBondContact O-N 3.28Å |
| 220 | S | 68 | Low | 61.2 | Low | 39 Ų | 39 | 70 Ų | 70 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.2 | -34 | 175.7 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | G216 V217 L223 L224 | G216-S220 WeakPolarHBondContact O-CB 3.5Å; G216-S220 PolarHBondContact O-N 2.85Å; G216-S220 PolarHBondContact O-OG 2.89Å; V217-S220 PolarHBondContact O-N 3.35Å; V217-S220 PolarHBondContact O-OG 2.87Å; S220-L223 PolarHBondContact O-N 2.72Å; S220-L224 VanDerWaalsContact O-CB 3.22Å; S220-L224 WeakPolarHBondContact O-CB 3.28Å; S220-L224 PolarHBondContact O-N 2.89Å |
| 221 | Y | 62.8 | Low | 60.6 | Low | 55 Ų | 55 | 69.6 Ų | 69.6 | 22% | 0.216 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 169.1 | 179.4 | -108.6 | 0 | 0 | 0 | 111.6 | N103 F106 V217 L223 L224 L225 | N103-Y221 WeakPolarHBondContact OD1-CE2 3.2Å; N103-Y221 PolarHBondContact OD1-OH 2.99Å; F106-Y221 AromaticContact CD1-CD2 3.69Å; F106-Y221 HydrophobicContact CD1-CD2 3.69Å; F106-Y221 HydrophobicContact CD1-CE2 4.44Å; F106-Y221 HydrophobicContact CD1-CG 4.41Å; F106-Y221 AromaticContact CE1-CD2 3.7Å; F106-Y221 HydrophobicContact CE1-CD2 3.7Å; F106-Y221 AromaticContact CE1-CG 3.97Å; F106-Y221 HydrophobicContact CE1-CG 3.97Å; F106-Y221 HydrophobicContact CG-CD2 4.24Å; F106-Y221 HydrophobicContact CZ-CD2 4.24Å; F106-Y221 HydrophobicContact CZ-CG 4.34Å; V217-Y221 VanDerWaalsContact O-CB 3.3Å; V217-Y221 WeakPolarHBondContact O-CB 3.28Å; V217-Y221 PolarHBondContact O-N 3.28Å; Y221-L223 PolarHBondContact O-N 3.2Å; Y221-L224 PolarHBondContact O-N 3Å; Y221-L225 HydrophobicContact CE1-CD2 4.36Å; Y221-L225 WeakPolarHBondContact O-CB 3.15Å; Y221-L225 PolarHBondContact O-N 3.41Å |
| 222 | L | 56.2 | Low | 60.2 | Low | 93 Ų | 93 | 69.4 Ų | 69.4 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 178.4 | -176.9 | 63.1 | 0 | 0 | 0 | 111.6 | I218 L219 L225 C226 | I218-L222 WeakPolarHBondContact O-CB 3.27Å; I218-L222 PolarHBondContact O-N 2.9Å; L219-L222 PolarHBondContact O-N 2.92Å; L222-L225 PolarHBondContact O-N 3.4Å; L222-C226 WeakPolarHBondContact O-CB 3.33Å; L222-C226 PolarHBondContact O-N 3.35Å; L222-C226 PolarHBondContact O-SG 3.14Å |
| 223 | L | 61.3 | Low | 59.8 | Low | 122 Ų | 122 | 67.9 Ų | 67.9 | 64% | 0.639 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | 174.8 | -73.4 | 172.8 | 0 | 0 | 0 | 112.3 | L219 S220 Y221 C226 A227 | L219-L223 WeakPolarHBondContact O-CG 3.46Å; L219-L223 PolarHBondContact O-N 3.28Å; S220-L223 PolarHBondContact O-N 2.72Å; Y221-L223 PolarHBondContact O-N 3.2Å; L223-C226 PolarHBondContact O-N 2.86Å; L223-A227 WeakPolarHBondContact O-CB 3.41Å; L223-A227 PolarHBondContact O-N 3.48Å |
| 224 | L | 62.9 | Low | 59.5 | Low | 76 Ų | 76 | 64.5 Ų | 64.5 | 40% | 0.398 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.9 | -174.3 | 66.5 | 0 | 0 | 0 | 111.1 | F106 S220 Y221 A227 F228 | F106-L224 HydrophobicContact CD2-CD2 4.17Å; S220-L224 VanDerWaalsContact O-CB 3.22Å; S220-L224 WeakPolarHBondContact O-CB 3.28Å; S220-L224 PolarHBondContact O-N 2.89Å; Y221-L224 PolarHBondContact O-N 3Å; L224-A227 PolarHBondContact O-N 3.43Å; L224-F228 HydrophobicContact CD1-CD2 4.12Å; L224-F228 HydrophobicContact CD1-CE2 3.7Å; L224-F228 HydrophobicContact CD2-CE2 4.37Å; L224-F228 HydrophobicContact CG-CD2 3.95Å; L224-F228 HydrophobicContact CG-CE2 3.81Å; L224-F228 VanDerWaalsContact O-CD2 3.26Å; L224-F228 WeakPolarHBondContact O-CD2 3.46Å; L224-F228 PolarHBondContact O-N 2.89Å |
| 225 | L | 60.7 | Low | 58.7 | Low | 39 Ų | 39 | 65.3 Ų | 65.3 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 174.5 | -174.6 | 72.9 | 0 | 0 | 0 | 110.4 | F99 Y221 L222 A227 F228 L229 | F99-L225 HydrophobicContact CE2-CD1 3.76Å; F99-L225 HydrophobicContact CZ-CD1 3.72Å; Y221-L225 HydrophobicContact CE1-CD2 4.36Å; Y221-L225 WeakPolarHBondContact O-CB 3.15Å; Y221-L225 PolarHBondContact O-N 3.41Å; L222-L225 PolarHBondContact O-N 3.4Å; L225-A227 VanDerWaalsContact C-N 3.33Å; L225-A227 PolarHBondContact O-N 3.21Å; L225-F228 PolarHBondContact O-N 3.34Å; L225-L229 HydrophobicContact CD1-CD1 3.77Å; L225-L229 HydrophobicContact CG-CD1 4.06Å; L225-L229 HydrophobicContact CG-CD2 4.28Å; L225-L229 VanDerWaalsContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 VanDerWaalsContact O-CD1 3.32Å; L225-L229 WeakPolarHBondContact O-CD1 3.3Å; L225-L229 PolarHBondContact O-N 3.02Å |
| 226 | C | 54.8 | Low | 58.1 | Low | 68 Ų | 68 | 63.3 Ų | 63.3 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 174.1 | -74.8 | 0 | 0 | 0 | 0 | 112.6 | L222 L223 L229 C230 | L222-C226 WeakPolarHBondContact O-CB 3.33Å; L222-C226 PolarHBondContact O-N 3.35Å; L222-C226 PolarHBondContact O-SG 3.14Å; L223-C226 PolarHBondContact O-N 2.86Å; C226-L229 PolarHBondContact O-N 2.82Å; C226-C230 VanDerWaalsContact O-CB 3.28Å; C226-C230 WeakPolarHBondContact O-CB 3.48Å; C226-C230 PolarHBondContact O-N 2.85Å |
| 227 | A | 62.4 | Low | 57.8 | Low | 64 Ų | 64 | 68.4 Ų | 68.4 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L223 L224 L225 P231 | L223-A227 WeakPolarHBondContact O-CB 3.41Å; L223-A227 PolarHBondContact O-N 3.48Å; L224-A227 PolarHBondContact O-N 3.43Å; L225-A227 VanDerWaalsContact C-N 3.33Å; L225-A227 PolarHBondContact O-N 3.21Å; A227-P231 WeakPolarHBondContact O-CD 3.35Å |
| 228 | F | 56.2 | Low | 57.6 | Low | 87 Ų | 87 | 70.3 Ų | 70.3 | 38% | 0.382 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.6 | -37.5 | 171.3 | -82.4 | -66.2 | 0 | 0 | 0 | 112.9 | L224 L225 P231 L232 | L224-F228 HydrophobicContact CD1-CD2 4.12Å; L224-F228 HydrophobicContact CD1-CE2 3.7Å; L224-F228 HydrophobicContact CD2-CE2 4.37Å; L224-F228 HydrophobicContact CG-CD2 3.95Å; L224-F228 HydrophobicContact CG-CE2 3.81Å; L224-F228 VanDerWaalsContact O-CD2 3.26Å; L224-F228 WeakPolarHBondContact O-CD2 3.46Å; L224-F228 PolarHBondContact O-N 2.89Å; L225-F228 PolarHBondContact O-N 3.34Å; F228-P231 WeakPolarHBondContact O-CD 3.28Å; F228-L232 VanDerWaalsContact O-CG 3.31Å; F228-L232 WeakPolarHBondContact O-CG 3.35Å |
| 229 | L | 57.8 | Low | 57.7 | Low | 50 Ų | 50 | 66.7 Ų | 66.7 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.7 | -27 | -178.4 | -94.9 | 58.3 | 0 | 0 | 0 | 113.2 | L225 C226 L232 F233 | L225-L229 HydrophobicContact CD1-CD1 3.77Å; L225-L229 HydrophobicContact CG-CD1 4.06Å; L225-L229 HydrophobicContact CG-CD2 4.28Å; L225-L229 VanDerWaalsContact O-CB 3.28Å; L225-L229 WeakPolarHBondContact O-CB 3.41Å; L225-L229 VanDerWaalsContact O-CD1 3.32Å; L225-L229 WeakPolarHBondContact O-CD1 3.3Å; L225-L229 PolarHBondContact O-N 3.02Å; C226-L229 PolarHBondContact O-N 2.82Å; L229-L232 HydrophobicContact CD1-CD1 4.35Å; L229-L232 CarbonylContact O-C 3.59Å; L229-L232 WeakPolarHBondContact O-CA 3.31Å; L229-L232 WeakPolarHBondContact O-CB 3.14Å; L229-L232 PolarHBondContact O-N 3.48Å; L229-F233 HydrophobicContact CB-CD2 4.01Å; L229-F233 HydrophobicContact CB-CE2 3.68Å; L229-F233 HydrophobicContact CB-CZ 4.47Å; L229-F233 HydrophobicContact CD2-CE2 3.91Å; L229-F233 HydrophobicContact CD2-CZ 4.03Å; L229-F233 HydrophobicContact CG-CE2 4.08Å; L229-F233 HydrophobicContact CG-CZ 4.4Å; L229-F233 WeakPolarHBondContact O-CD2 3.22Å; L229-F233 PolarHBondContact O-N 2.7Å |
| 230 | C | 53 | Low | 57.7 | Low | 66 Ų | 66 | 69.6 Ų | 69.6 | 45% | 0.446 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 179.3 | -173 | 0 | 0 | 0 | 0 | 112.8 | C226 L232 K234 | C226-C230 VanDerWaalsContact O-CB 3.28Å; C226-C230 WeakPolarHBondContact O-CB 3.48Å; C226-C230 PolarHBondContact O-N 2.85Å; C230-L232 VanDerWaalsContact C-N 3.28Å; C230-L232 PolarHBondContact O-N 2.87Å; C230-K234 PolarHBondContact O-N 2.86Å |
| 231 | P | 50.3 | Low | 57.7 | Low | 35 Ų | 35 | 74.9 Ų | 74.9 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -50.8 | -42.6 | 164.2 | -29.8 | 35 | 0 | 0 | 0 | 114 | L167 A227 F228 K234 C235 | L167-P231 HydrophobicContact CD2-CB 3.8Å; L167-P231 HydrophobicContact CD2-CG 4.02Å; A227-P231 WeakPolarHBondContact O-CD 3.35Å; F228-P231 WeakPolarHBondContact O-CD 3.28Å; P231-K234 PolarHBondContact O-N 3.4Å; P231-C235 WeakPolarHBondContact O-CB 3.3Å; P231-C235 PolarHBondContact O-N 2.91Å |
| 232 | L | 52.8 | Low | 57.7 | Low | 39 Ų | 39 | 75.9 Ų | 75.9 | 20% | 0.204 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.9 | -35.3 | -172.5 | -56.2 | 178.4 | 0 | 0 | 0 | 113.2 | W89 F228 L229 C230 G239 | W89-L232 HydrophobicContact CD2-CD2 3.9Å; W89-L232 HydrophobicContact CG-CD2 4.13Å; W89-L232 HydrophobicContact CH2-CD1 4.17Å; W89-L232 HydrophobicContact CZ2-CD1 3.47Å; W89-L232 VanDerWaalsContact CZ2-CD1 3.47Å; W89-L232 HydrophobicContact CZ2-CD2 3.72Å; W89-L232 HydrophobicContact CZ2-CG 4.17Å; F228-L232 VanDerWaalsContact O-CG 3.31Å; F228-L232 WeakPolarHBondContact O-CG 3.35Å; L229-L232 HydrophobicContact CD1-CD1 4.35Å; L229-L232 CarbonylContact O-C 3.59Å; L229-L232 WeakPolarHBondContact O-CA 3.31Å; L229-L232 WeakPolarHBondContact O-CB 3.14Å; L229-L232 PolarHBondContact O-N 3.48Å; C230-L232 VanDerWaalsContact C-N 3.28Å; C230-L232 PolarHBondContact O-N 2.87Å; L232-G239 WeakPolarHBondContact O-CA 3.28Å |
| 233 | F | 57.8 | Low | 58 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.4 | -31.1 | 174.4 | -70.6 | -53.6 | 0 | 0 | 0 | 112.6 | L229 Q240 I242 I246 | L229-F233 HydrophobicContact CB-CD2 4.01Å; L229-F233 HydrophobicContact CB-CE2 3.68Å; L229-F233 HydrophobicContact CB-CZ 4.47Å; L229-F233 HydrophobicContact CD2-CE2 3.91Å; L229-F233 HydrophobicContact CD2-CZ 4.03Å; L229-F233 HydrophobicContact CG-CE2 4.08Å; L229-F233 HydrophobicContact CG-CZ 4.4Å; L229-F233 WeakPolarHBondContact O-CD2 3.22Å; L229-F233 PolarHBondContact O-N 2.7Å; F233-Q240 PolarHBondContact O-NE2 3.45Å; F233-I242 HydrophobicContact CE1-CB 4.39Å; F233-I242 HydrophobicContact CE1-CG2 3.89Å; F233-I246 HydrophobicContact CE1-CD1 4.44Å; F233-I246 HydrophobicContact CZ-CD1 4.43Å |
| 234 | K | 55.8 | Low | 58.4 | Low | 121 Ų | 121 | 74.8 Ų | 74.8 | 53% | 0.526 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -92.2 | -36.8 | -178.9 | -76.9 | -70.3 | -166.2 | 80.9 | 0 | 114.5 | C170 C230 P231 | C170-K234 PolarHBondContact SG-NZ 3.5Å; C230-K234 PolarHBondContact O-N 2.86Å; P231-K234 PolarHBondContact O-N 3.4Å |
| 235 | C | 46.6 | Very low | 58.9 | Low | 62 Ų | 62 | 78.2 Ų | 78.2 | 42% | 0.419 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -99.6 | -3.3 | -169.1 | -61.4 | 0 | 0 | 0 | 0 | 115.4 | P231 | P231-C235 WeakPolarHBondContact O-CB 3.3Å; P231-C235 PolarHBondContact O-N 2.91Å |
| 236 | N | 55.4 | Low | 59.4 | Low | 41 Ų | 41 | 80.2 Ų | 80.2 | 22% | 0.219 | 42% | 0.417 | C | S | . | . | trans | -130.1 | 135.5 | -176.9 | -171.3 | -2.1 | 0 | 0 | 0 | 110.9 | I238 G239 Q240 | N236-I238 PolarHBondContact O-N 2.77Å; N236-I238 WeakPolarHBondContact OD1-CG1 3.33Å; N236-I238 PolarHBondContact OD1-N 3.49Å; N236-G239 VanDerWaalsContact O-CA 3.32Å; N236-G239 WeakPolarHBondContact O-CA 3.45Å; N236-G239 PolarHBondContact O-N 2.85Å; N236-Q240 PolarHBondContact O-N 3.28Å | ||
| 237 | D | 57.8 | Low | 60.2 | Low | 144 Ų | 144 | 82.6 Ų | 82.6 | 77% | 0.77 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -57.6 | -30.4 | 174.4 | -81.3 | -53.7 | 0 | 0 | 0 | 112.4 | G239 Q240 K241 | D237-G239 PolarHBondContact O-N 3.35Å; D237-Q240 PolarHBondContact O-N 3.46Å; D237-K241 WeakPolarHBondContact O-CB 3.23Å; D237-K241 PolarHBondContact O-N 2.87Å |
| 238 | I | 55.8 | Low | 60.6 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -35.2 | 172.8 | -54.6 | 177.8 | 0 | 0 | 0 | 110.4 | N236 K241 I242 | N236-I238 PolarHBondContact O-N 2.77Å; N236-I238 WeakPolarHBondContact OD1-CG1 3.33Å; N236-I238 PolarHBondContact OD1-N 3.49Å; I238-K241 CarbonylContact O-C 3.56Å; I238-K241 PolarHBondContact O-N 3.41Å; I238-I242 HydrophobicContact CG2-CD1 3.82Å; I238-I242 HydrophobicContact CG2-CG1 4.34Å; I238-I242 WeakPolarHBondContact O-CB 3.39Å; I238-I242 VanDerWaalsContact O-CG1 3.26Å; I238-I242 WeakPolarHBondContact O-CG1 3.3Å; I238-I242 PolarHBondContact O-N 2.85Å |
| 239 | G | 62.2 | Low | 61 | Low | 4 Ų | 4 | 82.7 Ų | 82.7 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L232 N236 D237 K241 I242 Y243 | L232-G239 WeakPolarHBondContact O-CA 3.28Å; N236-G239 VanDerWaalsContact O-CA 3.32Å; N236-G239 WeakPolarHBondContact O-CA 3.45Å; N236-G239 PolarHBondContact O-N 2.85Å; D237-G239 PolarHBondContact O-N 3.35Å; G239-K241 VanDerWaalsContact C-N 3.34Å; G239-K241 PolarHBondContact O-N 3.47Å; G239-I242 PolarHBondContact O-N 2.95Å; G239-Y243 WeakPolarHBondContact O-CB 3.32Å; G239-Y243 PolarHBondContact O-N 3.37Å |
| 240 | Q | 60.8 | Low | 61.3 | Low | 98 Ų | 98 | 85.6 Ų | 85.6 | 46% | 0.458 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 173.5 | -69.2 | -64 | -31.6 | 0 | 0 | 112.4 | F233 N236 D237 Y243 S244 | F233-Q240 PolarHBondContact O-NE2 3.45Å; N236-Q240 PolarHBondContact O-N 3.28Å; D237-Q240 PolarHBondContact O-N 3.46Å; Q240-Y243 PolarHBondContact O-N 2.85Å; Q240-S244 WeakPolarHBondContact O-CB 3.29Å; Q240-S244 PolarHBondContact O-N 2.95Å; Q240-S244 PolarHBondContact O-OG 2.98Å |
| 241 | K | 67.4 | Low | 61.9 | Low | 151 Ų | 151 | 87.8 Ų | 87.8 | 66% | 0.657 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70 | -31.1 | 175.6 | -160.9 | 168 | -171.1 | 169.4 | 0 | 113.2 | D237 I238 G239 S244 K245 | D237-K241 WeakPolarHBondContact O-CB 3.23Å; D237-K241 PolarHBondContact O-N 2.87Å; I238-K241 CarbonylContact O-C 3.56Å; I238-K241 PolarHBondContact O-N 3.41Å; G239-K241 VanDerWaalsContact C-N 3.34Å; G239-K241 PolarHBondContact O-N 3.47Å; K241-S244 WeakPolarHBondContact CA-OG 3.48Å; K241-S244 PolarHBondContact O-OG 3.38Å; K241-K245 WeakPolarHBondContact O-CG 3.47Å; K241-K245 PolarHBondContact O-N 3.31Å |
| 242 | I | 63.4 | Low | 62.7 | Low | 76 Ų | 76 | 93.6 Ų | 93.6 | 39% | 0.39 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.1 | -42.7 | 171.7 | -67.3 | 166.8 | 0 | 0 | 0 | 110.1 | F233 I238 G239 S244 K245 I246 | F233-I242 HydrophobicContact CE1-CB 4.39Å; F233-I242 HydrophobicContact CE1-CG2 3.89Å; I238-I242 HydrophobicContact CG2-CD1 3.82Å; I238-I242 HydrophobicContact CG2-CG1 4.34Å; I238-I242 WeakPolarHBondContact O-CB 3.39Å; I238-I242 VanDerWaalsContact O-CG1 3.26Å; I238-I242 WeakPolarHBondContact O-CG1 3.3Å; I238-I242 PolarHBondContact O-N 2.85Å; G239-I242 PolarHBondContact O-N 2.95Å; I242-S244 PolarHBondContact O-N 3.15Å; I242-K245 CarbonylContact O-C 3.6Å; I242-K245 WeakPolarHBondContact O-CB 3.31Å; I242-K245 PolarHBondContact O-N 2.68Å; I242-K245 VanDerWaalsContact O-N 3.16Å; I242-I246 HydrophobicContact CG2-CD1 3.63Å; I242-I246 HydrophobicContact CG2-CG1 4.13Å; I242-I246 WeakPolarHBondContact O-CG1 3.33Å; I242-I246 PolarHBondContact O-N 2.84Å |
| 243 | Y | 62.7 | Low | 63.3 | Low | 126 Ų | 126 | 96.1 Ų | 96.1 | 49% | 0.494 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 176.8 | 176.9 | -109.8 | 0 | 0 | 0 | 112.1 | G239 Q240 I246 K247 | G239-Y243 WeakPolarHBondContact O-CB 3.32Å; G239-Y243 PolarHBondContact O-N 3.37Å; Q240-Y243 PolarHBondContact O-N 2.85Å; Y243-I246 PolarHBondContact O-N 3.13Å; Y243-K247 VanDerWaalsContact O-CB 3.24Å; Y243-K247 WeakPolarHBondContact O-CB 3.32Å; Y243-K247 PolarHBondContact O-N 2.99Å |
| 244 | S | 70.3 | Confident | 63.7 | Low | 66 Ų | 66 | 98.6 Ų | 98.6 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 174.1 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | Q240 K241 I242 S248 | Q240-S244 WeakPolarHBondContact O-CB 3.29Å; Q240-S244 PolarHBondContact O-N 2.95Å; Q240-S244 PolarHBondContact O-OG 2.98Å; K241-S244 WeakPolarHBondContact CA-OG 3.48Å; K241-S244 PolarHBondContact O-OG 3.38Å; I242-S244 PolarHBondContact O-N 3.15Å; S244-S248 WeakPolarHBondContact O-CB 3.18Å; S244-S248 PolarHBondContact O-N 3.22Å |
| 245 | K | 73 | Confident | 63.8 | Low | 147 Ų | 147 | 100.3 Ų | 100.3 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -46.7 | 170.4 | -82.6 | -171.3 | 172.6 | -167.7 | 0 | 112.5 | K241 I242 S248 V249 | K241-K245 WeakPolarHBondContact O-CG 3.47Å; K241-K245 PolarHBondContact O-N 3.31Å; I242-K245 CarbonylContact O-C 3.6Å; I242-K245 WeakPolarHBondContact O-CB 3.31Å; I242-K245 PolarHBondContact O-N 2.68Å; I242-K245 VanDerWaalsContact O-N 3.16Å; K245-S248 PolarHBondContact O-N 3.45Å; K245-V249 WeakPolarHBondContact O-CG2 3.37Å; K245-V249 PolarHBondContact O-N 2.83Å |
| 246 | I | 70.9 | Confident | 64.7 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.3 | -69.3 | 172 | 0 | 0 | 0 | 109.6 | F233 I242 Y243 S248 V249 L250 | F233-I246 HydrophobicContact CE1-CD1 4.44Å; F233-I246 HydrophobicContact CZ-CD1 4.43Å; I242-I246 HydrophobicContact CG2-CD1 3.63Å; I242-I246 HydrophobicContact CG2-CG1 4.13Å; I242-I246 WeakPolarHBondContact O-CG1 3.33Å; I242-I246 PolarHBondContact O-N 2.84Å; Y243-I246 PolarHBondContact O-N 3.13Å; I246-S248 VanDerWaalsContact C-N 3.31Å; I246-S248 PolarHBondContact O-N 3.3Å; I246-V249 CarbonylContact O-C 3.57Å; I246-V249 PolarHBondContact O-N 3.47Å; I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 PolarHBondContact O-N 2.83Å |
| 247 | K | 72 | Confident | 65.3 | Low | 117 Ų | 117 | 101 Ų | 101 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 175.1 | -174.5 | 175.4 | -179.5 | -179.7 | 0 | 111.9 | Y243 L250 L251 | Y243-K247 VanDerWaalsContact O-CB 3.24Å; Y243-K247 WeakPolarHBondContact O-CB 3.32Å; Y243-K247 PolarHBondContact O-N 2.99Å; K247-L250 PolarHBondContact O-N 3.42Å; K247-L251 HydrophobicContact CG-CD1 3.97Å; K247-L251 WeakPolarHBondContact O-CB 3.33Å; K247-L251 VanDerWaalsContact O-CD1 3.24Å; K247-L251 WeakPolarHBondContact O-CD1 3.25Å; K247-L251 PolarHBondContact O-N 2.79Å |
| 248 | S | 70.1 | Confident | 65.9 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | S244 K245 I246 K252 | S244-S248 WeakPolarHBondContact O-CB 3.18Å; S244-S248 PolarHBondContact O-N 3.22Å; K245-S248 PolarHBondContact O-N 3.45Å; I246-S248 VanDerWaalsContact C-N 3.31Å; I246-S248 PolarHBondContact O-N 3.3Å; S248-K252 WeakPolarHBondContact O-CG 3.47Å; S248-K252 PolarHBondContact O-N 2.95Å |
| 249 | V | 65.9 | Low | 66.8 | Low | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | K245 I246 K252 L253 | K245-V249 WeakPolarHBondContact O-CG2 3.37Å; K245-V249 PolarHBondContact O-N 2.83Å; I246-V249 CarbonylContact O-C 3.57Å; I246-V249 PolarHBondContact O-N 3.47Å; V249-K252 CarbonylContact O-C 3.6Å; V249-K252 WeakPolarHBondContact O-CB 3.28Å; V249-K252 PolarHBondContact O-N 2.82Å; V249-L253 HydrophobicContact CG1-CD1 4.49Å; V249-L253 WeakPolarHBondContact O-CB 3.42Å; V249-L253 PolarHBondContact O-N 2.83Å |
| 250 | L | 62.9 | Low | 67 | Low | 111 Ų | 111 | 103.4 Ų | 103.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.8 | -40.5 | 178.8 | -161.7 | 72.2 | 0 | 0 | 0 | 110.9 | I246 K247 K252 L253 D254 | I246-L250 WeakPolarHBondContact O-CB 3.38Å; I246-L250 PolarHBondContact O-N 2.83Å; K247-L250 PolarHBondContact O-N 3.42Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 2.91Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-D254 VanDerWaalsContact O-CB 3.24Å; L250-D254 WeakPolarHBondContact O-CB 3.42Å; L250-D254 PolarHBondContact O-N 2.85Å |
| 251 | L | 66.5 | Low | 67.6 | Low | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -39.3 | 169.2 | -100.3 | 87.3 | 0 | 0 | 0 | 112.2 | K247 D254 F255 | K247-L251 HydrophobicContact CG-CD1 3.97Å; K247-L251 WeakPolarHBondContact O-CB 3.33Å; K247-L251 VanDerWaalsContact O-CD1 3.24Å; K247-L251 WeakPolarHBondContact O-CD1 3.25Å; K247-L251 PolarHBondContact O-N 2.79Å; L251-D254 PolarHBondContact O-N 2.98Å; L251-F255 PolarHBondContact O-N 3.33Å |
| 252 | K | 67.4 | Low | 67.9 | Low | 158 Ų | 158 | 101 Ų | 101 | 69% | 0.687 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -37.3 | 174.5 | -79.5 | -175.3 | 172.6 | -170.8 | 0 | 112.3 | S248 V249 L250 G256 | S248-K252 WeakPolarHBondContact O-CG 3.47Å; S248-K252 PolarHBondContact O-N 2.95Å; V249-K252 CarbonylContact O-C 3.6Å; V249-K252 WeakPolarHBondContact O-CB 3.28Å; V249-K252 PolarHBondContact O-N 2.82Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 2.91Å; K252-G256 PolarHBondContact O-N 2.82Å; K252-G256 VanDerWaalsContact O-N 3.14Å |
| 253 | L | 64.9 | Low | 68.5 | Low | 92 Ų | 92 | 101.6 Ų | 101.6 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 174.5 | -121.4 | 79.5 | 0 | 0 | 0 | 111.1 | V249 L250 F255 G256 I257 | V249-L253 HydrophobicContact CG1-CD1 4.49Å; V249-L253 WeakPolarHBondContact O-CB 3.42Å; V249-L253 PolarHBondContact O-N 2.83Å; L250-L253 PolarHBondContact O-N 2.95Å; L253-F255 VanDerWaalsContact C-N 3.3Å; L253-F255 PolarHBondContact O-N 2.78Å; L253-G256 CarbonylContact O-C 3.51Å; L253-G256 PolarHBondContact O-N 3.44Å; L253-G256 VanDerWaalsContact O-N 3.15Å; L253-I257 HydrophobicContact CB-CD1 4.34Å; L253-I257 HydrophobicContact CD2-CD1 3.79Å; L253-I257 HydrophobicContact CG-CD1 3.92Å; L253-I257 WeakPolarHBondContact O-CB 3.46Å; L253-I257 PolarHBondContact O-N 3.29Å |
| 254 | D | 66.3 | Low | 69.1 | Low | 119 Ų | 119 | 101.2 Ų | 101.2 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 179.8 | -164.6 | 40.2 | 0 | 0 | 0 | 111 | L250 L251 G258 | L250-D254 VanDerWaalsContact O-CB 3.24Å; L250-D254 WeakPolarHBondContact O-CB 3.42Å; L250-D254 PolarHBondContact O-N 2.85Å; L251-D254 PolarHBondContact O-N 2.98Å; D254-G258 WeakPolarHBondContact O-CA 3.36Å; D254-G258 PolarHBondContact O-N 3.31Å |
| 255 | F | 56.7 | Low | 69.3 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 69% | 0.689 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -50.3 | 171 | -157.9 | -94.9 | 0 | 0 | 0 | 112 | L251 L253 I257 G258 E259 | L251-F255 PolarHBondContact O-N 3.33Å; L253-F255 VanDerWaalsContact C-N 3.3Å; L253-F255 PolarHBondContact O-N 2.78Å; F255-I257 PolarHBondContact O-N 3.48Å; F255-G258 PolarHBondContact O-N 2.91Å; F255-E259 WeakPolarHBondContact O-CB 3.42Å; F255-E259 PolarHBondContact O-N 2.87Å |
| 256 | G | 66.9 | Low | 69.4 | Low | 39 Ų | 39 | 105.2 Ų | 105.2 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.4 | -30.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | K252 L253 Y260 | K252-G256 PolarHBondContact O-N 2.82Å; K252-G256 VanDerWaalsContact O-N 3.14Å; L253-G256 CarbonylContact O-C 3.51Å; L253-G256 PolarHBondContact O-N 3.44Å; L253-G256 VanDerWaalsContact O-N 3.15Å; G256-Y260 VanDerWaalsContact O-CB 3.24Å; G256-Y260 WeakPolarHBondContact O-CB 3.32Å; G256-Y260 PolarHBondContact O-N 3.27Å |
| 257 | I | 67.7 | Low | 69.6 | Low | 78 Ų | 78 | 105.9 Ų | 105.9 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -82 | -35.1 | 176.7 | -79.2 | 163.5 | 0 | 0 | 0 | 110.6 | L253 F255 E259 Y260 I261 | L253-I257 HydrophobicContact CB-CD1 4.34Å; L253-I257 HydrophobicContact CD2-CD1 3.79Å; L253-I257 HydrophobicContact CG-CD1 3.92Å; L253-I257 WeakPolarHBondContact O-CB 3.46Å; L253-I257 PolarHBondContact O-N 3.29Å; F255-I257 PolarHBondContact O-N 3.48Å; I257-E259 VanDerWaalsContact C-N 3.35Å; I257-Y260 PolarHBondContact O-N 2.92Å; I257-I261 HydrophobicContact CG2-CD1 3.54Å; I257-I261 HydrophobicContact CG2-CG1 4.17Å; I257-I261 VanDerWaalsContact O-CB 3.23Å; I257-I261 WeakPolarHBondContact O-CB 3.21Å; I257-I261 WeakPolarHBondContact O-CG1 3.48Å; I257-I261 PolarHBondContact O-N 3.34Å |
| 258 | G | 70.3 | Confident | 69.3 | Low | 29 Ų | 29 | 110.2 Ų | 110.2 | 30% | 0.299 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D254 F255 N262 | D254-G258 WeakPolarHBondContact O-CA 3.36Å; D254-G258 PolarHBondContact O-N 3.31Å; F255-G258 PolarHBondContact O-N 2.91Å; G258-N262 WeakPolarHBondContact O-CB 3.48Å; G258-N262 PolarHBondContact O-N 2.9Å; G258-N262 PolarHBondContact O-ND2 3.18Å; G258-N262 VanDerWaalsContact O-ND2 3.08Å |
| 259 | E | 74.1 | Confident | 68.9 | Low | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -48.9 | 174.5 | -149.5 | 73 | -156.9 | 0 | 0 | 111.4 | F255 I257 I261 N262 Q263 | F255-E259 WeakPolarHBondContact O-CB 3.42Å; F255-E259 PolarHBondContact O-N 2.87Å; I257-E259 VanDerWaalsContact C-N 3.35Å; E259-I261 PolarHBondContact O-N 2.95Å; E259-N262 PolarHBondContact O-N 3.35Å; E259-Q263 VanDerWaalsContact O-CB 3.3Å; E259-Q263 WeakPolarHBondContact O-CB 3.41Å; E259-Q263 PolarHBondContact O-N 3.45Å |
| 260 | Y | 66.3 | Low | 68.9 | Low | 139 Ų | 139 | 109.5 Ų | 109.5 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 179.8 | 179.2 | -103.2 | 0 | 0 | 0 | 113.4 | G256 I257 K264 | G256-Y260 VanDerWaalsContact O-CB 3.24Å; G256-Y260 WeakPolarHBondContact O-CB 3.32Å; G256-Y260 PolarHBondContact O-N 3.27Å; I257-Y260 PolarHBondContact O-N 2.92Å; Y260-K264 HydrophobicContact CE1-CD 4.22Å; Y260-K264 WeakPolarHBondContact O-CB 3.39Å; Y260-K264 PolarHBondContact O-N 3.41Å |
| 261 | I | 74.9 | Confident | 68.9 | Low | 99 Ų | 99 | 107 Ų | 107 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 175.1 | -71.7 | 169.4 | 0 | 0 | 0 | 110.1 | I257 E259 K265 | I257-I261 HydrophobicContact CG2-CD1 3.54Å; I257-I261 HydrophobicContact CG2-CG1 4.17Å; I257-I261 VanDerWaalsContact O-CB 3.23Å; I257-I261 WeakPolarHBondContact O-CB 3.21Å; I257-I261 WeakPolarHBondContact O-CG1 3.48Å; I257-I261 PolarHBondContact O-N 3.34Å; E259-I261 PolarHBondContact O-N 2.95Å; I261-K265 WeakPolarHBondContact O-CB 3.43Å; I261-K265 PolarHBondContact O-N 3.44Å |
| 262 | N | 73.3 | Confident | 68.4 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 175.8 | -78.4 | -39.8 | 0 | 0 | 0 | 111.8 | G258 E259 K265 R266 | G258-N262 WeakPolarHBondContact O-CB 3.48Å; G258-N262 PolarHBondContact O-N 2.9Å; G258-N262 PolarHBondContact O-ND2 3.18Å; G258-N262 VanDerWaalsContact O-ND2 3.08Å; E259-N262 PolarHBondContact O-N 3.35Å; N262-K265 PolarHBondContact O-N 3.47Å; N262-R266 VanDerWaalsContact O-CB 3.27Å; N262-R266 WeakPolarHBondContact O-CB 3.48Å; N262-R266 PolarHBondContact O-N 2.9Å |
| 263 | Q | 76.1 | Confident | 68 | Low | 88 Ų | 88 | 106.5 Ų | 106.5 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 174.4 | 179.9 | 58.6 | 24.4 | 0 | 0 | 111.2 | E259 K265 R266 E267 | E259-Q263 VanDerWaalsContact O-CB 3.3Å; E259-Q263 WeakPolarHBondContact O-CB 3.41Å; E259-Q263 PolarHBondContact O-N 3.45Å; Q263-K265 VanDerWaalsContact C-N 3.32Å; Q263-K265 PolarHBondContact O-N 2.93Å; Q263-R266 WeakPolarHBondContact O-CB 3.24Å; Q263-R266 PolarHBondContact O-N 3.47Å; Q263-R266 VanDerWaalsContact O-N 3.12Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.33Å; Q263-E267 PolarHBondContact NE2-OE1 2.94Å; Q263-E267 WeakPolarHBondContact O-CG 3.32Å; Q263-E267 PolarHBondContact O-N 2.91Å |
| 264 | K | 75.3 | Confident | 67.4 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -33.1 | 177 | -172.3 | 167.9 | -172.4 | 165.6 | 0 | 113 | Y260 R268 | Y260-K264 HydrophobicContact CE1-CD 4.22Å; Y260-K264 WeakPolarHBondContact O-CB 3.39Å; Y260-K264 PolarHBondContact O-N 3.41Å; K264-R268 WeakPolarHBondContact O-CB 3.48Å; K264-R268 PolarHBondContact O-N 3.41Å; K264-R268 VanDerWaalsContact O-N 3.09Å |
| 265 | K | 74.2 | Confident | 66.8 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70 | -37.8 | 173 | -176.7 | -178.4 | 177.6 | -174 | 0 | 111.3 | I261 N262 Q263 R268 S269 | I261-K265 WeakPolarHBondContact O-CB 3.43Å; I261-K265 PolarHBondContact O-N 3.44Å; N262-K265 PolarHBondContact O-N 3.47Å; Q263-K265 VanDerWaalsContact C-N 3.32Å; Q263-K265 PolarHBondContact O-N 2.93Å; K265-R268 PolarHBondContact O-N 3.28Å; K265-S269 PolarHBondContact O-N 3.49Å |
| 266 | R | 75.3 | Confident | 66.5 | Low | 147 Ų | 147 | 107.3 Ų | 107.3 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -52.3 | 175.2 | -179.5 | 177.9 | -178.1 | 166.7 | 4.7 | 111.1 | N262 Q263 R268 S269 E270 | N262-R266 VanDerWaalsContact O-CB 3.27Å; N262-R266 WeakPolarHBondContact O-CB 3.48Å; N262-R266 PolarHBondContact O-N 2.9Å; Q263-R266 WeakPolarHBondContact O-CB 3.24Å; Q263-R266 PolarHBondContact O-N 3.47Å; Q263-R266 VanDerWaalsContact O-N 3.12Å; R266-R268 VanDerWaalsContact C-N 3.25Å; R266-R268 PolarHBondContact O-N 2.94Å; R266-S269 CarbonylContact O-C 3.53Å; R266-S269 WeakPolarHBondContact O-CA 3.47Å; R266-S269 PolarHBondContact O-N 2.72Å; R266-S269 PolarHBondContact O-OG 2.87Å; R266-E270 HydrophobicContact CG-CG 4.43Å; R266-E270 WeakPolarHBondContact CG-OE1 3.48Å; R266-E270 IonicContact CZ-OE1 3.52Å; R266-E270 IonicContact NE-OE1 2.77Å; R266-E270 PolarHBondContact NE-OE1 2.81Å; R266-E270 IonicContact NH2-OE1 3.37Å; R266-E270 PolarHBondContact NH2-OE1 2.83Å; R266-E270 WeakPolarHBondContact O-CG 3.26Å; R266-E270 PolarHBondContact O-N 2.89Å |
| 267 | E | 74.9 | Confident | 65.4 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -53.6 | -42.9 | 174.1 | -72.4 | 164.8 | -173.3 | 0 | 0 | 111.4 | Q263 S269 E270 A271 | Q263-E267 WeakPolarHBondContact CG-OE1 3.33Å; Q263-E267 PolarHBondContact NE2-OE1 2.94Å; Q263-E267 WeakPolarHBondContact O-CG 3.32Å; Q263-E267 PolarHBondContact O-N 2.91Å; E267-S269 VanDerWaalsContact C-N 3.32Å; E267-S269 PolarHBondContact O-N 2.79Å; E267-E270 PolarHBondContact O-N 2.86Å; E267-A271 WeakPolarHBondContact O-CB 3.45Å; E267-A271 PolarHBondContact O-N 3.44Å |
| 268 | R | 65.4 | Low | 64.2 | Low | 208 Ų | 208 | 118.5 Ų | 118.5 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.6 | -32.7 | 175.8 | -151.2 | -179 | -150.8 | -164.8 | 5.4 | 113.1 | K264 K265 R266 D272 | K264-R268 WeakPolarHBondContact O-CB 3.48Å; K264-R268 PolarHBondContact O-N 3.41Å; K264-R268 VanDerWaalsContact O-N 3.09Å; K265-R268 PolarHBondContact O-N 3.28Å; R266-R268 VanDerWaalsContact C-N 3.25Å; R266-R268 PolarHBondContact O-N 2.94Å; R268-D272 PolarHBondContact O-N 3.25Å |
| 269 | S | 61.9 | Low | 62.9 | Low | 53 Ų | 53 | 123.9 Ų | 123.9 | 37% | 0.371 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.3 | -23.1 | 175.6 | 74 | 0 | 0 | 0 | 0 | 113.9 | K265 R266 E267 K273 | K265-S269 PolarHBondContact O-N 3.49Å; R266-S269 CarbonylContact O-C 3.53Å; R266-S269 WeakPolarHBondContact O-CA 3.47Å; R266-S269 PolarHBondContact O-N 2.72Å; R266-S269 PolarHBondContact O-OG 2.87Å; E267-S269 VanDerWaalsContact C-N 3.32Å; E267-S269 PolarHBondContact O-N 2.79Å; S269-K273 WeakPolarHBondContact O-CG 3.39Å; S269-K273 PolarHBondContact O-N 3.26Å |
| 270 | E | 66 | Low | 61.3 | Low | 85 Ų | 85 | 124.4 Ų | 124.4 | 40% | 0.397 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -80.6 | -39.4 | 174.8 | -73.2 | 170 | 176.8 | 0 | 0 | 109.8 | R266 E267 D272 K273 E274 | R266-E270 HydrophobicContact CG-CG 4.43Å; R266-E270 WeakPolarHBondContact CG-OE1 3.48Å; R266-E270 IonicContact CZ-OE1 3.52Å; R266-E270 IonicContact NE-OE1 2.77Å; R266-E270 PolarHBondContact NE-OE1 2.81Å; R266-E270 IonicContact NH2-OE1 3.37Å; R266-E270 PolarHBondContact NH2-OE1 2.83Å; R266-E270 WeakPolarHBondContact O-CG 3.26Å; R266-E270 PolarHBondContact O-N 2.89Å; E267-E270 PolarHBondContact O-N 2.86Å; E270-D272 VanDerWaalsContact C-N 3.32Å; E270-D272 PolarHBondContact O-N 3.19Å; E270-K273 PolarHBondContact O-N 3.15Å; E270-E274 WeakPolarHBondContact O-CB 3.48Å; E270-E274 PolarHBondContact O-N 3.37Å |
| 271 | A | 61.8 | Low | 60.4 | Low | 59 Ų | 59 | 122.5 Ų | 122.5 | 49% | 0.488 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -32.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E267 K275 | E267-A271 WeakPolarHBondContact O-CB 3.45Å; E267-A271 PolarHBondContact O-N 3.44Å; A271-K275 WeakPolarHBondContact O-CB 3.34Å; A271-K275 PolarHBondContact O-N 3.28Å; A271-K275 VanDerWaalsContact O-N 3.14Å |
| 272 | D | 57.7 | Low | 59.1 | Low | 119 Ų | 119 | 126.4 Ų | 126.4 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.4 | -36.4 | 176.1 | -147.3 | 34.5 | 0 | 0 | 0 | 111.5 | R268 E270 K275 S276 | R268-D272 PolarHBondContact O-N 3.25Å; E270-D272 VanDerWaalsContact C-N 3.32Å; E270-D272 PolarHBondContact O-N 3.19Å; D272-K275 PolarHBondContact O-N 2.98Å; D272-S276 PolarHBondContact O-N 3.32Å |
| 273 | K | 57.5 | Low | 57.5 | Low | 140 Ų | 140 | 129.6 Ų | 129.6 | 61% | 0.609 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.2 | -35.8 | 174.1 | -73.6 | 174.7 | 179.4 | -179.2 | 0 | 113.6 | S269 E270 K275 S276 H277 | S269-K273 WeakPolarHBondContact O-CG 3.39Å; S269-K273 PolarHBondContact O-N 3.26Å; E270-K273 PolarHBondContact O-N 3.15Å; K273-K275 PolarHBondContact O-N 2.8Å; K273-S276 PolarHBondContact O-N 3.49Å; K273-S276 PolarHBondContact O-OG 3.31Å; K273-S276 VanDerWaalsContact O-OG 3.14Å; K273-H277 WeakPolarHBondContact O-CB 3.33Å; K273-H277 PolarHBondContact O-N 3.45Å |
| 274 | E | 53.3 | Low | 56.1 | Low | 157 Ų | 157 | 132.7 Ų | 132.7 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.7 | -32.5 | 173.4 | -171.8 | 174.3 | -178.4 | 0 | 0 | 110.9 | E270 | E270-E274 WeakPolarHBondContact O-CB 3.48Å; E270-E274 PolarHBondContact O-N 3.37Å |
| 275 | K | 53.5 | Low | 54.7 | Low | 166 Ų | 166 | 136.1 Ų | 136.1 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.6 | -35 | 171.8 | -158.3 | 178.4 | -178.3 | -169.5 | 0 | 112.9 | A271 D272 K273 | A271-K275 WeakPolarHBondContact O-CB 3.34Å; A271-K275 PolarHBondContact O-N 3.28Å; A271-K275 VanDerWaalsContact O-N 3.14Å; D272-K275 PolarHBondContact O-N 2.98Å; K273-K275 PolarHBondContact O-N 2.8Å |
| 276 | S | 50.1 | Low | 53.2 | Low | 63 Ų | 63 | 134.7 Ų | 134.7 | 44% | 0.441 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -74.4 | -39 | 177.2 | 79.3 | 0 | 0 | 0 | 0 | 113.3 | D272 K273 K278 D279 | D272-S276 PolarHBondContact O-N 3.32Å; K273-S276 PolarHBondContact O-N 3.49Å; K273-S276 PolarHBondContact O-OG 3.31Å; K273-S276 VanDerWaalsContact O-OG 3.14Å; S276-K278 PolarHBondContact O-N 3.1Å; S276-D279 PolarHBondContact O-N 3.5Å |
| 277 | H | 43.7 | Very low | 52 | Low | 162 Ų | 162 | 132.5 Ų | 132.5 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -1.2 | -178.2 | -162.9 | -60.3 | 0 | 0 | 0 | 113.6 | K273 | K273-H277 WeakPolarHBondContact O-CB 3.33Å; K273-H277 PolarHBondContact O-N 3.45Å |
| 278 | K | 43.1 | Very low | 50.5 | Low | 189 Ų | 189 | 135.8 Ų | 135.8 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -1 | 176 | -155.8 | 153.8 | -173.8 | 168.2 | 0 | 114.3 | S276 | S276-K278 PolarHBondContact O-N 3.1Š|
| 279 | D | 42.6 | Very low | 49.3 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -125.8 | 15.3 | -177.1 | -119.6 | 2.4 | 0 | 0 | 0 | 112.5 | S276 S281 | S276-D279 PolarHBondContact O-N 3.5Å; D279-S281 VanDerWaalsContact C-N 3.32Å; D279-S281 PolarHBondContact O-N 3.25Å; D279-S281 VanDerWaalsContact O-N 3.12Å |
| 280 | D | 41.1 | Very low | 48.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -84.6 | 74.5 | 171.1 | -76.3 | -43.1 | 0 | 0 | 0 | 110.5 | ||||
| 281 | S | 47.7 | Very low | 46.9 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -140 | 144.2 | 154.7 | -74.8 | 0 | 0 | 0 | 0 | 108.7 | D279 | D279-S281 VanDerWaalsContact C-N 3.32Å; D279-S281 PolarHBondContact O-N 3.25Å; D279-S281 VanDerWaalsContact O-N 3.12Å | ||
| 282 | E | 46.2 | Very low | 46.1 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 51 | 92.7 | 171.5 | 57.2 | -164.1 | 160.9 | 0 | 0 | 117.5 | ||
| 283 | L | 39.3 | Very low | 45 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | -175.2 | 132.3 | 100 | -91.1 | 169.3 | 0 | 0 | 0 | 112.7 | |||||
| 284 | D | 47.5 | Very low | 44.4 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -99.9 | 86.3 | -170.3 | -166 | 5.8 | 0 | 0 | 0 | 111.4 | ||||
| 285 | F | 46.3 | Very low | 44.2 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -146.5 | 80 | 178.8 | -100.7 | -78.8 | 0 | 0 | 0 | 113.6 | ||||
| 286 | S | 42.3 | Very low | 43.8 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -158.2 | 38.3 | 156.6 | -87.4 | 0 | 0 | 0 | 0 | 113.7 | L288 | S286-L288 PolarHBondContact O-N 3.22Š| ||
| 287 | A | 51.1 | Low | 43.6 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -77 | 71.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 288 | L | 43 | Very low | 43.8 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -175.2 | 76.6 | 163.8 | -104.8 | 163.2 | 0 | 0 | 0 | 112.8 | S286 | S286-L288 PolarHBondContact O-N 3.22Š| ||
| 289 | C | 39.2 | Very low | 44.2 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -166.5 | 124.5 | 150 | -102.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 290 | P | 38.4 | Very low | 44.7 | Very low | 134 Ų | 134 | 139 Ų | 139 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -76.3 | 149.1 | -178 | 30.1 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 291 | K | 39.8 | Very low | 44.8 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -112.5 | 112 | -170.7 | -177 | 174 | -170.1 | 165.2 | 0 | 110.7 | ||||
| 292 | I | 45.3 | Very low | 44.2 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | 169.5 | 152.4 | 155.8 | 42 | 152.8 | 0 | 0 | 0 | 109.4 | ||||
| 293 | S | 34.2 | Very low | 43.8 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 50% | 0.497 | 81% | 0.806 | S | S | . | * | cis | -171.7 | 113.4 | -31.3 | 48.8 | 0 | 0 | 0 | 0 | 108 | T295 | S293-T295 PolarHBondContact O-N 3.24Š| ||
| 294 | L | 44.1 | Very low | 43.7 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 39.5 | -173.7 | -161.3 | 73.3 | 0 | 0 | 0 | 113.8 | ||
| 295 | T | 48.9 | Very low | 43.4 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 7.3 | -175.1 | 42 | 0 | 0 | 0 | 0 | 113.8 | S293 | S293-T295 PolarHBondContact O-N 3.24Š|
| 296 | V | 46.9 | Very low | 43.2 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -105.3 | -23.3 | 174.7 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | A298 | V296-A298 PolarHBondContact O-N 3.45Š|
| 297 | A | 45.5 | Very low | 43 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 298 | A | 47.9 | Very low | 42.2 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 19.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V296 | V296-A298 PolarHBondContact O-N 3.45Š|
| 299 | K | 50.3 | Low | 42 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -115.4 | 27 | 178.3 | -157.4 | -167.9 | 163.3 | 60.8 | 0 | 112.3 | ||
| 300 | E | 54.6 | Low | 42.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -133.9 | 145.7 | 165.6 | -71.5 | -64.8 | 155.2 | 0 | 0 | 105.6 | ||
| 301 | L | 41.9 | Very low | 42.4 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 73.6 | 73.7 | -176.5 | -46.2 | 175.2 | 0 | 0 | 0 | 117 | ||
| 302 | S | 35.7 | Very low | 42.6 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | 167.4 | 98.7 | 115.2 | -170 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 303 | V | 37.7 | Very low | 42.8 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -135.7 | 119.6 | 166.9 | 170.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 304 | S | 38.2 | Very low | 43.1 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -168.8 | 108.1 | 151.4 | -142.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 305 | D | 39.7 | Very low | 42.5 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -156.9 | 147.4 | 142.7 | -118.6 | -21.4 | 0 | 0 | 0 | 110 | ||||
| 306 | T | 42 | Very low | 42 | Very low | 117 Ų | 117 | 136 Ų | 136 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | -98.4 | 129.9 | -153.4 | 25.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 307 | D | 37.9 | Very low | 41.7 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 48.8 | 132.2 | 132 | -80.3 | -43.5 | 0 | 0 | 0 | 124.8 | ||||
| 308 | V | 35 | Very low | 41.2 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | 72.2 | 110 | 142.6 | 179.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 309 | S | 38.1 | Very low | 40.6 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | -156.2 | 141.7 | 116.9 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 310 | E | 43.2 | Very low | 40 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -97.2 | 155.9 | -179.9 | 63.4 | -142.6 | 124.2 | 0 | 0 | 112.6 | ||||
| 311 | V | 44.1 | Very low | 39.2 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | 166.7 | 128 | 138.6 | 150.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 312 | S | 43.5 | Very low | 39.2 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -95.6 | 141 | 167.9 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 313 | W | 49.5 | Very low | 39.6 | Very low | 241 Ų | 241 | 137 Ų | 137 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -127.1 | 110.5 | 148.8 | -77 | 98.7 | 0 | 0 | 0 | 109.2 | ||||
| 314 | T | 40 | Very low | 39.6 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | -77 | 157.9 | 170.1 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 315 | D | 32.6 | Very low | 39.6 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 69.5 | 151.3 | 150.8 | -149.1 | 35 | 0 | 0 | 0 | 113.6 | ||||
| 316 | N | 36.6 | Very low | 40 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | -156 | 156.1 | 16.5 | 7.5 | 69.3 | 0 | 0 | 0 | 108 | ||||
| 317 | G | 41.5 | Very low | 40.4 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 166.5 | 53.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 318 | T | 36.2 | Very low | 40.2 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -71.2 | 157.8 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 319 | F | 34.2 | Very low | 40.3 | Very low | 192 Ų | 192 | 137.3 Ų | 137.3 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | 106.9 | 134.4 | 153.4 | -158.2 | -82 | 0 | 0 | 0 | 117 | ||||
| 320 | N | 37.6 | Very low | 40.3 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 50% | 0.503 | 76% | 0.757 | S | S | . | * | cis | -161.5 | 161.8 | -29.2 | -116.7 | -81 | 0 | 0 | 0 | 108.3 | ||||
| 321 | L | 38.5 | Very low | 39.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 19.8 | 123.3 | 149.9 | -56.7 | 167.2 | 0 | 0 | 0 | 120.6 | ||||
| 322 | S | 41.6 | Very low | 39.7 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 161.2 | 163.5 | 101.7 | -88 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 323 | E | 43.1 | Very low | 39.4 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | 79.4 | 112.1 | 150.2 | -150.6 | 155.4 | -155.4 | 0 | 0 | 118.6 | ||||
| 324 | G | 39.5 | Very low | 39 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -100.6 | 154.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 325 | Y | 38 | Very low | 39 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 86% | 0.863 | 76% | 0.76 | S | S | * | * | trans | -147.3 | 125.3 | 169 | -149.9 | -104 | 0 | 0 | 0 | 109.9 | ||||
| 326 | T | 47.2 | Very low | 39.3 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 161.7 | 165.7 | 37 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 327 | P | 51.3 | Low | 39.3 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -119.8 | 123.6 | 131 | -4.6 | 24.2 | 0 | 0 | 0 | 111.6 | ||||
| 328 | Q | 32.9 | Very low | 39.4 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | trans | -87.2 | 137.3 | 162 | 175.1 | 178.8 | -10.2 | 0 | 0 | 107.7 | D330 | Q328-D330 PolarHBondContact NE2-OD2 3.35Š| ||
| 329 | T | 37 | Very low | 39.4 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -130.8 | 99.8 | 166.1 | 53 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 330 | D | 38.3 | Very low | 39.5 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -82.4 | 151.3 | 168 | -74.8 | -60.3 | 0 | 0 | 0 | 111.9 | Q328 | Q328-D330 PolarHBondContact NE2-OD2 3.35Š| ||
| 331 | T | 33 | Very low | 39.5 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 167.2 | 92.7 | 149.9 | 22.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 332 | S | 42.1 | Very low | 39.5 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | 65.4 | 140.3 | 82.3 | 91.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 333 | D | 37.3 | Very low | 39.2 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | cis | -136.5 | 141.3 | 5.7 | -69.3 | -116.1 | 0 | 0 | 0 | 106.3 | ||||
| 334 | D | 40.6 | Very low | 39.2 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 52.1 | 118.9 | 65 | -154.1 | 20.5 | 0 | 0 | 0 | 117.9 | |||||
| 335 | L | 40.7 | Very low | 38.9 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 169.4 | 106.7 | 139 | -93.9 | 172.5 | 0 | 0 | 0 | 113.1 | ||||
| 336 | D | 38.6 | Very low | 38.7 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 35.9 | 114.5 | 136.2 | -74.1 | -40 | 0 | 0 | 0 | 122.5 | ||||
| 337 | R | 36.3 | Very low | 38.5 | Very low | 229 Ų | 229 | 147 Ų | 147 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -178.6 | 162.3 | 90.7 | -100.6 | -159.9 | 109.3 | 79.8 | -7 | 113.9 | |||||
| 338 | P | 43.7 | Very low | 37.8 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | trans | -107 | 167.3 | -169.3 | 41.3 | -35.9 | 0 | 0 | 0 | 115.7 | ||||
| 339 | S | 35.5 | Very low | 37.7 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 51.6 | 117.8 | 144.5 | 64.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 340 | E | 37.4 | Very low | 37.8 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -149.8 | 143.6 | 131.8 | 50.9 | -162.1 | 149.2 | 0 | 0 | 111.8 | ||||
| 341 | E | 37.2 | Very low | 38.3 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -99.6 | -164.5 | -175.9 | -59.8 | 175.2 | 169.1 | 0 | 0 | 110.3 | ||||
| 342 | V | 38 | Very low | 38.2 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | 75.3 | 94.4 | 162 | -162.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 343 | F | 36.3 | Very low | 37.8 | Very low | 222 Ų | 222 | 150.7 Ų | 150.7 | 97% | 0.974 | 79% | 0.786 | S | S | * | * | trans | -125.6 | 76 | 145 | -117.1 | -88.5 | 0 | 0 | 0 | 109.9 | ||||
| 344 | S | 42.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -158 | 136.6 | 170.8 | -74.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 345 | R | 32.4 | Very low | 37.5 | Very low | 234 Ų | 234 | 150.4 Ų | 150.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 84.6 | 118.5 | -168.6 | -156.2 | 175.1 | -159.9 | 127.1 | 3.7 | 111.7 | ||||
| 346 | D | 33.7 | Very low | 37.3 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | -146.7 | 168.4 | 56 | -121.3 | -33.4 | 0 | 0 | 0 | 116.5 | |||||
| 347 | L | 44.1 | Very low | 37.3 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -105 | 166.8 | 167.5 | -86.4 | 167.5 | 0 | 0 | 0 | 110.4 | ||||
| 348 | S | 35.7 | Very low | 37.3 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 82 | 129.9 | 178 | -25.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 349 | D | 31.8 | Very low | 37 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | cis | -148.6 | 157.5 | 48.5 | -92 | -39.7 | 0 | 0 | 0 | 115 | ||||
| 350 | F | 37.9 | Very low | 37.1 | Very low | 201 Ų | 201 | 144.3 Ų | 144.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -81.1 | 168.4 | 165.6 | -78.6 | -95.3 | 0 | 0 | 0 | 111.7 | ||||
| 351 | P | 49.1 | Very low | 37.2 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -115.6 | 126.5 | 136.2 | 32.7 | -26.8 | 0 | 0 | 0 | 112.2 | ||||
| 352 | S | 31.6 | Very low | 37.4 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -68.8 | 153.5 | 153.4 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 353 | L | 33.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | 167.6 | 158.3 | 95.2 | -144 | 76.1 | 0 | 0 | 0 | 103.5 | |||||
| 354 | E | 34.2 | Very low | 37.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | cis | -172.1 | 168.4 | 29.7 | -179 | 48.7 | -83.8 | 0 | 0 | 108.4 | ||||
| 355 | N | 37.4 | Very low | 37 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 83.5 | 87.8 | 153.4 | -125.5 | 86.1 | 0 | 0 | 0 | 119.2 | ||||
| 356 | G | 37 | Very low | 36.9 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -89.5 | 140.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 357 | M | 37.2 | Very low | 36.7 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -168.8 | 135 | 158.4 | -162.4 | 69.4 | 164.8 | 0 | 0 | 105.9 | ||||
| 358 | G | 36.1 | Very low | 36 | Very low | 57 Ų | 57 | 131.4 Ų | 131.4 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | cis | 130.7 | 56.4 | 8.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 359 | T | 37.8 | Very low | 35.8 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | -140.1 | 100.3 | 165 | 54.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 360 | N | 38.9 | Very low | 36.5 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -64.5 | 162.9 | 145.7 | -167.7 | 37.6 | 0 | 0 | 0 | 108.1 | ||||
| 361 | D | 39.3 | Very low | 35.9 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 162.2 | 112.1 | 147.5 | -80.9 | -9.8 | 0 | 0 | 0 | 110.6 | ||||
| 362 | E | 40.6 | Very low | 35.1 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | trans | 55.7 | 101.1 | 136.9 | -38.4 | -48.8 | 81.1 | 0 | 0 | 121 | ||||
| 363 | D | 40.8 | Very low | 34.9 | Very low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | 60.8 | 145.3 | 108 | -81.7 | -27.5 | 0 | 0 | 0 | 125.1 | |||||
| 364 | E | 38.8 | Very low | 34.7 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 84.3 | 114 | 148.8 | -75.7 | -167.6 | 177.8 | 0 | 0 | 123.9 | ||||
| 365 | L | 30.1 | Very low | 34.4 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | 75.7 | 103.1 | 126.9 | -65.3 | 172.1 | 0 | 0 | 0 | 121.5 | |||||
| 366 | S | 30.4 | Very low | 34 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | 72.4 | 145.8 | 108.2 | -64.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 367 | L | 29.3 | Very low | 33.6 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 94% | 0.937 | 76% | 0.755 | S | S | * | * | trans | 80.2 | 121.1 | 156.9 | -65.1 | 154.4 | 0 | 0 | 0 | 119.4 | ||||
| 368 | G | 28.1 | Very low | 33.2 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | 105 | 89 | 128.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 369 | L | 32.2 | Very low | 32.7 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | -64.6 | 169.2 | 142.2 | -79 | 100.6 | 0 | 0 | 0 | 110.3 | ||||
| 370 | P | 45.6 | Very low | 32.4 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -132.7 | 176.9 | -10.1 | 24.5 | -1.5 | 0 | 0 | 0 | 113.9 | ||||
| 371 | T | 27 | Very low | 31.8 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 167.9 | 141.4 | 114.2 | 35.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 372 | E | 30.4 | Very low | 31.3 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | 49.7 | 123.8 | 147.5 | -70.3 | -60.3 | 133.1 | 0 | 0 | 122.9 | ||||
| 373 | L | 28.2 | Very low | 30.7 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | -174.3 | 123 | 100.6 | -156.9 | 89.6 | 0 | 0 | 0 | 114.7 | |||||
| 374 | K | 30.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 147.4 | 150.5 | -92.3 | 174.9 | -168.4 | 168.3 | 0 | 119.3 | ||||
| 375 | R | 27.6 | Very low | 29.8 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | cis | -166.7 | 139.1 | 15 | 169.1 | -172.3 | -178.4 | 91.1 | -11.1 | 112.8 | ||||
| 376 | K | 27.9 | Very low | 30.6 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 64 | 146.8 | 162.6 | -89.7 | -173.9 | 169.3 | -175 | 0 | 117.4 | ||||
| 377 | K | 29.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -153.7 | 150.9 | -3 | -176.6 | -173.5 | 175.2 | -162.9 | 0 | 107.9 | ||||
| 378 | E | 28.7 | Very low | 30.8 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -62.1 | 149.4 | 179.7 | -47.9 | 105.6 | 102.7 | 0 | 0 | 114.3 | ||||
| 379 | Q | 24.5 | Very low | 30.7 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | -160.5 | 143.8 | 104.2 | -157.7 | 165.3 | -70.5 | 0 | 0 | 111.7 | |||||
| 380 | L | 32.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -93.6 | 155.9 | 179.1 | -154.5 | 93.7 | 0 | 0 | 0 | 110.8 | ||||
| 381 | D | 26.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 156.4 Ų | 156.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | 154.1 | 137.2 | 120 | -170.4 | 33.6 | 0 | 0 | 0 | 115.6 | |||||
| 382 | S | 27.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 156.4 Ų | 156.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 55.8 | 163.7 | 164 | 82.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 383 | G | 27.7 | Very low | 29.7 | Very low | 71 Ų | 71 | 153.2 Ų | 153.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | cis | 179.7 | 133 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 384 | H | 28.9 | Very low | 29.8 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | 21.4 | 111.1 | 159.1 | -127.5 | 60.8 | 0 | 0 | 0 | 123.4 | ||||
| 385 | R | 32.1 | Very low | 29.8 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 74.5 | 175.3 | 129.1 | -119.6 | -160.8 | 175 | -142.4 | -1.6 | 119 | |||||
| 386 | P | 46.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | -125.2 | 163.4 | -112 | 41.7 | -25.3 | 0 | 0 | 0 | 115.7 | |||||
| 387 | S | 27.5 | Very low | 30 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -151.6 | 161.1 | 154.9 | -160.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 388 | K | 36.5 | Very low | 30.4 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -80.3 | 134.6 | -179.7 | -66.9 | 169.6 | 172.5 | 176.7 | 0 | 110.6 | ||||
| 389 | E | 27 | Very low | 30.9 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -143.8 | 112.5 | 152.9 | -160.5 | 153.2 | -169.9 | 0 | 0 | 112.1 | ||||
| 390 | T | 31.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | 6.7 | 134 | 141.1 | -51.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 391 | Q | 28.3 | Very low | 32.8 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 66.7 | 116.6 | 159.5 | -70.2 | 160.9 | 29.2 | 0 | 0 | 119.1 | ||||
| 392 | S | 24.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 128 Ų | 128 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | -168.5 | 167.8 | 105 | -160.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 393 | A | 29.9 | Very low | 35.8 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | trans | -85.5 | 142.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 394 | A | 30.4 | Very low | 37.3 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | -167.3 | 130.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 395 | G | 30.4 | Very low | 38.8 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | 83.3 | 55.5 | 56.9 | 0 | 0 | 0 | 0 | 0 | 109 | T397 | G395-T397 PolarHBondContact O-N 3.16Š| |||
| 396 | L | 30.3 | Very low | 40.2 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -80.1 | 71.7 | -175.4 | -158.4 | 144.1 | 0 | 0 | 0 | 110.1 | L398 | L396-L398 VanDerWaalsContact C-N 3.34Å; L396-L398 HydrophobicContact CD2-CB 4.24Å; L396-L398 PolarHBondContact O-N 2.93Å; L396-L398 VanDerWaalsContact O-N 3.11Å | ||
| 397 | T | 30.2 | Very low | 41.1 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | trans | -79.6 | 84.4 | 171.5 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | G395 | G395-T397 PolarHBondContact O-N 3.16Š| ||
| 398 | L | 36.3 | Very low | 43.2 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 62% | 0.618 | 69% | 0.693 | S | S | * | * | trans | -79.2 | 126.3 | 166 | -160 | 72.1 | 0 | 0 | 0 | 108.1 | L396 L400 | L396-L398 VanDerWaalsContact C-N 3.34Å; L396-L398 HydrophobicContact CD2-CB 4.24Å; L396-L398 PolarHBondContact O-N 2.93Å; L396-L398 VanDerWaalsContact O-N 3.11Å; L398-L400 VanDerWaalsContact C-N 3.28Å; L398-L400 HydrophobicContact CD2-CD1 3.88Å; L398-L400 HydrophobicContact CD2-CG 4.11Å; L398-L400 HydrophobicContact CG-CG 4.49Å; L398-L400 PolarHBondContact O-N 3.39Å | ||
| 399 | P | 40.4 | Very low | 44.5 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | trans | -78.6 | 80.1 | 179.4 | 32.4 | -34 | 0 | 0 | 0 | 109.6 | ||||
| 400 | L | 41.8 | Very low | 46.5 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | trans | -95.6 | 133.9 | 169.8 | -82 | 169.6 | 0 | 0 | 0 | 110.2 | L398 | L398-L400 VanDerWaalsContact C-N 3.28Å; L398-L400 HydrophobicContact CD2-CD1 3.88Å; L398-L400 HydrophobicContact CD2-CG 4.11Å; L398-L400 HydrophobicContact CG-CG 4.49Å; L398-L400 PolarHBondContact O-N 3.39Å | ||
| 401 | N | 54.2 | Low | 48.6 | Very low | 114 Ų | 114 | 114 Ų | 114 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | trans | -57.4 | 142.4 | 178.4 | -167.2 | 9.4 | 0 | 0 | 0 | 110.7 | D403 Q404 T405 | N401-D403 PolarHBondContact O-N 3.02Å; N401-D403 VanDerWaalsContact O-N 3.1Å; N401-Q404 PolarHBondContact O-N 3.49Å; N401-T405 PolarHBondContact O-N 2.89Å | ||
| 402 | S | 59.1 | Low | 50.9 | Low | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -51.9 | -41.4 | -169.4 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | Q404 T405 F406 | S402-Q404 PolarHBondContact O-N 3.2Å; S402-T405 WeakPolarHBondContact O-CB 3.43Å; S402-T405 PolarHBondContact O-N 2.92Å; S402-F406 PolarHBondContact O-N 2.91Å; S402-F406 VanDerWaalsContact O-N 3.16Å |
| 403 | D | 58.8 | Low | 53 | Low | 103 Ų | 103 | 106.6 Ų | 106.6 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.6 | -31.1 | -167.3 | -52.5 | -10.7 | 0 | 0 | 0 | 111.5 | N401 H407 | N401-D403 PolarHBondContact O-N 3.02Å; N401-D403 VanDerWaalsContact O-N 3.1Å; D403-H407 PolarHBondContact O-N 3.48Å |
| 404 | Q | 58.6 | Low | 55 | Low | 118 Ų | 118 | 103.5 Ų | 103.5 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.2 | -30.2 | 175.8 | -160.2 | 169.2 | 32.9 | 0 | 0 | 111.6 | N401 S402 L408 | N401-Q404 PolarHBondContact O-N 3.49Å; S402-Q404 PolarHBondContact O-N 3.2Å; Q404-L408 WeakPolarHBondContact O-CG 3.42Å; Q404-L408 PolarHBondContact O-N 3.36Å |
| 405 | T | 62.1 | Low | 57.2 | Low | 67 Ų | 67 | 104.3 Ų | 104.3 | 41% | 0.411 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70 | -41.2 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | N401 S402 L408 M409 | N401-T405 PolarHBondContact O-N 2.89Å; S402-T405 WeakPolarHBondContact O-CB 3.43Å; S402-T405 PolarHBondContact O-N 2.92Å; T405-L408 PolarHBondContact O-N 3.3Å; T405-M409 WeakPolarHBondContact O-CB 3.4Å; T405-M409 PolarHBondContact O-N 3.39Å |
| 406 | F | 61.7 | Low | 59.2 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.8 | -43.3 | 176.4 | -101.4 | -85.6 | 0 | 0 | 0 | 112.8 | S402 M409 S410 | S402-F406 PolarHBondContact O-N 2.91Å; S402-F406 VanDerWaalsContact O-N 3.16Å; F406-M409 PolarHBondContact O-N 2.75Å; F406-S410 WeakPolarHBondContact O-CB 3.48Å; F406-S410 PolarHBondContact O-N 3.16Å |
| 407 | H | 64.7 | Low | 61.1 | Low | 137 Ų | 137 | 103 Ų | 103 | 63% | 0.634 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -42.1 | 176.8 | -90.2 | -77 | 0 | 0 | 0 | 112.9 | D403 S410 N411 | D403-H407 PolarHBondContact O-N 3.48Å; H407-S410 PolarHBondContact O-N 2.95Å; H407-N411 WeakPolarHBondContact O-CB 3.35Å; H407-N411 VanDerWaalsContact O-CG 3.23Å; H407-N411 PolarHBondContact O-N 2.88Å |
| 408 | L | 70.4 | Confident | 63.2 | Low | 108 Ų | 108 | 100.5 Ų | 100.5 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -40 | 176.7 | -69.5 | 173.9 | 0 | 0 | 0 | 112 | Q404 T405 N411 L412 | Q404-L408 WeakPolarHBondContact O-CG 3.42Å; Q404-L408 PolarHBondContact O-N 3.36Å; T405-L408 PolarHBondContact O-N 3.3Å; L408-N411 PolarHBondContact O-N 3.37Å; L408-L412 WeakPolarHBondContact O-CB 3.4Å; L408-L412 PolarHBondContact O-N 3.16Å |
| 409 | M | 64.3 | Low | 65 | Low | 135 Ų | 135 | 97.9 Ų | 97.9 | 67% | 0.665 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.2 | -36.6 | 177.8 | -165.1 | 171.3 | -173 | 0 | 0 | 112.3 | T405 F406 A413 | T405-M409 WeakPolarHBondContact O-CB 3.4Å; T405-M409 PolarHBondContact O-N 3.39Å; F406-M409 PolarHBondContact O-N 2.75Å; M409-A413 VanDerWaalsContact O-CB 3.25Å; M409-A413 WeakPolarHBondContact O-CB 3.46Å; M409-A413 PolarHBondContact O-N 3.46Å |
| 410 | S | 69.1 | Low | 66.3 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 56% | 0.559 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 112 | F406 H407 A413 G414 | F406-S410 WeakPolarHBondContact O-CB 3.48Å; F406-S410 PolarHBondContact O-N 3.16Å; H407-S410 PolarHBondContact O-N 2.95Å; S410-A413 PolarHBondContact O-N 3.43Å; S410-G414 PolarHBondContact O-N 2.77Å |
| 411 | N | 75.4 | Confident | 67.7 | Low | 98 Ų | 98 | 94.2 Ų | 94.2 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 178.2 | -69.5 | -8.1 | 0 | 0 | 0 | 111.1 | H407 L408 A413 G414 D415 | H407-N411 WeakPolarHBondContact O-CB 3.35Å; H407-N411 VanDerWaalsContact O-CG 3.23Å; H407-N411 PolarHBondContact O-N 2.88Å; L408-N411 PolarHBondContact O-N 3.37Å; N411-A413 VanDerWaalsContact C-N 3.35Å; N411-A413 PolarHBondContact O-N 3.34Å; N411-G414 PolarHBondContact O-N 2.9Å; N411-D415 PolarHBondContact O-N 3.35Å |
| 412 | L | 76.1 | Confident | 68.6 | Low | 112 Ų | 112 | 93 Ų | 93 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 176.3 | -175.6 | 65 | 0 | 0 | 0 | 112.3 | L408 D415 V416 | L408-L412 WeakPolarHBondContact O-CB 3.4Å; L408-L412 PolarHBondContact O-N 3.16Å; L412-D415 PolarHBondContact O-N 2.77Å; L412-V416 WeakPolarHBondContact O-CB 3.37Å; L412-V416 VanDerWaalsContact O-CG2 3.27Å; L412-V416 WeakPolarHBondContact O-CG2 3.49Å; L412-V416 PolarHBondContact O-N 3.41Å |
| 413 | A | 68.7 | Low | 69 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 38% | 0.38 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M409 S410 N411 V416 I417 | M409-A413 VanDerWaalsContact O-CB 3.25Å; M409-A413 WeakPolarHBondContact O-CB 3.46Å; M409-A413 PolarHBondContact O-N 3.46Å; S410-A413 PolarHBondContact O-N 3.43Å; N411-A413 VanDerWaalsContact C-N 3.35Å; N411-A413 PolarHBondContact O-N 3.34Å; A413-V416 PolarHBondContact O-N 3.4Å; A413-I417 WeakPolarHBondContact O-CB 3.24Å; A413-I417 WeakPolarHBondContact O-CD1 3.36Å; A413-I417 WeakPolarHBondContact O-CG1 3.35Å; A413-I417 PolarHBondContact O-N 3.28Å |
| 414 | G | 73.1 | Confident | 69.3 | Low | 31 Ų | 31 | 90.2 Ų | 90.2 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S410 N411 I417 T418 | S410-G414 PolarHBondContact O-N 2.77Å; N411-G414 PolarHBondContact O-N 2.9Å; G414-I417 PolarHBondContact O-N 2.85Å; G414-T418 WeakPolarHBondContact O-CB 3.49Å; G414-T418 PolarHBondContact O-N 3.2Å; G414-T418 PolarHBondContact O-OG1 3.38Å |
| 415 | D | 75.9 | Confident | 69.9 | Low | 115 Ų | 115 | 89.9 Ų | 89.9 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 177.4 | -75.3 | -17 | 0 | 0 | 0 | 112 | N411 L412 T418 A419 | N411-D415 PolarHBondContact O-N 3.35Å; L412-D415 PolarHBondContact O-N 2.77Å; D415-T418 PolarHBondContact O-N 3.29Å; D415-A419 WeakPolarHBondContact O-CB 3.24Å; D415-A419 PolarHBondContact O-N 2.71Å |
| 416 | V | 71.6 | Confident | 70.3 | Confident | 91 Ų | 91 | 92 Ų | 92 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.1 | -39.6 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | L412 A413 A420 | L412-V416 WeakPolarHBondContact O-CB 3.37Å; L412-V416 VanDerWaalsContact O-CG2 3.27Å; L412-V416 WeakPolarHBondContact O-CG2 3.49Å; L412-V416 PolarHBondContact O-N 3.41Å; A413-V416 PolarHBondContact O-N 3.4Å; V416-A420 VanDerWaalsContact O-CB 3.28Å; V416-A420 WeakPolarHBondContact O-CB 3.2Å; V416-A420 PolarHBondContact O-N 3.36Å |
| 417 | I | 71.3 | Confident | 70.4 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 174.9 | -68.7 | 163.7 | 0 | 0 | 0 | 110.1 | A413 G414 A419 A420 V421 | A413-I417 WeakPolarHBondContact O-CB 3.24Å; A413-I417 WeakPolarHBondContact O-CD1 3.36Å; A413-I417 WeakPolarHBondContact O-CG1 3.35Å; A413-I417 PolarHBondContact O-N 3.28Å; G414-I417 PolarHBondContact O-N 2.85Å; I417-A419 PolarHBondContact O-N 3.49Å; I417-A420 PolarHBondContact O-N 2.9Å; I417-V421 HydrophobicContact CG2-CG2 4.36Å; I417-V421 WeakPolarHBondContact O-CB 3.48Å; I417-V421 VanDerWaalsContact O-CG2 3.32Å; I417-V421 WeakPolarHBondContact O-CG2 3.24Å; I417-V421 PolarHBondContact O-N 3.47Å |
| 418 | T | 74.4 | Confident | 69.9 | Low | 85 Ų | 85 | 90.8 Ų | 90.8 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 178 | -56 | 0 | 0 | 0 | 0 | 111.2 | G414 D415 T422 | G414-T418 WeakPolarHBondContact O-CB 3.49Å; G414-T418 PolarHBondContact O-N 3.2Å; G414-T418 PolarHBondContact O-OG1 3.38Å; D415-T418 PolarHBondContact O-N 3.29Å; T418-T422 VanDerWaalsContact O-CB 3.28Å; T418-T422 WeakPolarHBondContact O-CB 3.44Å; T418-T422 PolarHBondContact O-N 3.23Å; T418-T422 PolarHBondContact O-OG1 2.96Å |
| 419 | A | 72.9 | Confident | 68.9 | Low | 62 Ų | 62 | 91 Ų | 91 | 51% | 0.512 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D415 I417 T422 A423 | D415-A419 WeakPolarHBondContact O-CB 3.24Å; D415-A419 PolarHBondContact O-N 2.71Å; I417-A419 PolarHBondContact O-N 3.49Å; A419-T422 PolarHBondContact O-N 2.79Å; A419-A423 VanDerWaalsContact O-CB 3.29Å; A419-A423 WeakPolarHBondContact O-CB 3.23Å; A419-A423 PolarHBondContact O-N 3.25Å |
| 420 | A | 67.4 | Low | 68.4 | Low | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V416 I417 A423 A424 | V416-A420 VanDerWaalsContact O-CB 3.28Å; V416-A420 WeakPolarHBondContact O-CB 3.2Å; V416-A420 PolarHBondContact O-N 3.36Å; I417-A420 PolarHBondContact O-N 2.9Å; A420-A423 PolarHBondContact O-N 3.06Å; A420-A424 WeakPolarHBondContact O-CB 3.21Å; A420-A424 PolarHBondContact O-N 2.76Å |
| 421 | V | 71.6 | Confident | 67.5 | Low | 78 Ų | 78 | 87.3 Ų | 87.3 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111 | I417 A423 A424 I425 | I417-V421 HydrophobicContact CG2-CG2 4.36Å; I417-V421 WeakPolarHBondContact O-CB 3.48Å; I417-V421 VanDerWaalsContact O-CG2 3.32Å; I417-V421 WeakPolarHBondContact O-CG2 3.24Å; I417-V421 PolarHBondContact O-N 3.47Å; V421-A423 VanDerWaalsContact C-N 3.33Å; V421-A423 PolarHBondContact O-N 3.48Å; V421-A424 PolarHBondContact O-N 3.48Å; V421-I425 HydrophobicContact CG1-CD1 3.73Å; V421-I425 HydrophobicContact CG1-CG1 4.46Å; V421-I425 VanDerWaalsContact O-CG1 3.28Å; V421-I425 WeakPolarHBondContact O-CG1 3.24Å; V421-I425 PolarHBondContact O-N 3.24Å |
| 422 | T | 73.4 | Confident | 66.2 | Low | 87 Ų | 87 | 86.6 Ų | 86.6 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | T418 A419 K426 | T418-T422 VanDerWaalsContact O-CB 3.28Å; T418-T422 WeakPolarHBondContact O-CB 3.44Å; T418-T422 PolarHBondContact O-N 3.23Å; T418-T422 PolarHBondContact O-OG1 2.96Å; A419-T422 PolarHBondContact O-N 2.79Å; T422-K426 WeakPolarHBondContact O-CB 3.17Å; T422-K426 PolarHBondContact O-N 3.48Å |
| 423 | A | 68.4 | Low | 64.8 | Low | 58 Ų | 58 | 87.2 Ų | 87.2 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A419 A420 V421 I425 K426 D427 | A419-A423 VanDerWaalsContact O-CB 3.29Å; A419-A423 WeakPolarHBondContact O-CB 3.23Å; A419-A423 PolarHBondContact O-N 3.25Å; A420-A423 PolarHBondContact O-N 3.06Å; V421-A423 VanDerWaalsContact C-N 3.33Å; V421-A423 PolarHBondContact O-N 3.48Å; A423-I425 PolarHBondContact O-N 2.71Å; A423-K426 PolarHBondContact O-N 3.15Å; A423-D427 WeakPolarHBondContact O-CB 3.49Å; A423-D427 PolarHBondContact O-N 3.4Å |
| 424 | A | 64.1 | Low | 63.7 | Low | 57 Ų | 57 | 91.3 Ų | 91.3 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A420 V421 Q428 | A420-A424 WeakPolarHBondContact O-CB 3.21Å; A420-A424 PolarHBondContact O-N 2.76Å; V421-A424 PolarHBondContact O-N 3.48Å; A424-Q428 PolarHBondContact O-N 3.14Å; A424-Q428 VanDerWaalsContact O-N 3.15Å |
| 425 | I | 71.9 | Confident | 62.4 | Low | 111 Ų | 111 | 93.7 Ų | 93.7 | 57% | 0.569 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69 | -40.3 | 173.9 | -67.9 | 166.8 | 0 | 0 | 0 | 110.4 | V421 A423 L429 | V421-I425 HydrophobicContact CG1-CD1 3.73Å; V421-I425 HydrophobicContact CG1-CG1 4.46Å; V421-I425 VanDerWaalsContact O-CG1 3.28Å; V421-I425 WeakPolarHBondContact O-CG1 3.24Å; V421-I425 PolarHBondContact O-N 3.24Å; A423-I425 PolarHBondContact O-N 2.71Å; I425-L429 WeakPolarHBondContact O-CB 3.19Å; I425-L429 PolarHBondContact O-N 2.78Å |
| 426 | K | 69.4 | Low | 60.9 | Low | 112 Ų | 112 | 95.1 Ų | 95.1 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -41.7 | 176.4 | -169.7 | 176 | 179.7 | -79.9 | 0 | 112.1 | T422 A423 L429 E430 | T422-K426 WeakPolarHBondContact O-CB 3.17Å; T422-K426 PolarHBondContact O-N 3.48Å; A423-K426 PolarHBondContact O-N 3.15Å; K426-L429 PolarHBondContact O-N 2.99Å; K426-E430 IonicContact NZ-OE1 2.67Å; K426-E430 PolarHBondContact NZ-OE1 3.41Å; K426-E430 IonicContact NZ-OE2 2.72Å; K426-E430 PolarHBondContact NZ-OE2 3.06Å; K426-E430 WeakPolarHBondContact O-CB 3.14Å; K426-E430 PolarHBondContact O-N 3.27Å |
| 427 | D | 63.2 | Low | 59.5 | Low | 121 Ų | 121 | 95.1 Ų | 95.1 | 65% | 0.647 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.1 | -39.9 | 179.1 | -162.5 | 62.9 | 0 | 0 | 0 | 111.9 | A423 G431 | A423-D427 WeakPolarHBondContact O-CB 3.49Å; A423-D427 PolarHBondContact O-N 3.4Å; D427-G431 PolarHBondContact O-N 2.87Å |
| 428 | Q | 56 | Low | 58.2 | Low | 151 Ų | 151 | 98 Ų | 98 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -39 | 170.1 | -82.8 | -141.4 | 71.6 | 0 | 0 | 113.1 | A424 G431 V432 | A424-Q428 PolarHBondContact O-N 3.14Å; A424-Q428 VanDerWaalsContact O-N 3.15Å; Q428-G431 PolarHBondContact O-N 3.08Å; Q428-V432 WeakPolarHBondContact O-CG2 3.48Å; Q428-V432 PolarHBondContact O-N 2.93Å |
| 429 | L | 48.5 | Very low | 56.3 | Low | 113 Ų | 113 | 98.5 Ų | 98.5 | 59% | 0.592 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.8 | -41.2 | 179.9 | -168.7 | 65.2 | 0 | 0 | 0 | 111.9 | I425 K426 V432 Q433 | I425-L429 WeakPolarHBondContact O-CB 3.19Å; I425-L429 PolarHBondContact O-N 2.78Å; K426-L429 PolarHBondContact O-N 2.99Å; L429-V432 PolarHBondContact O-N 3.47Å; L429-Q433 VanDerWaalsContact O-CB 3.32Å; L429-Q433 WeakPolarHBondContact O-CB 3.36Å; L429-Q433 PolarHBondContact O-N 2.83Å |
| 430 | E | 53.2 | Low | 54.4 | Low | 91 Ų | 91 | 100.2 Ų | 100.2 | 43% | 0.425 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.8 | -38 | 172.8 | -75.3 | 174.8 | 146.1 | 0 | 0 | 111.1 | K426 V432 Q433 Q434 | K426-E430 IonicContact NZ-OE1 2.67Å; K426-E430 PolarHBondContact NZ-OE1 3.41Å; K426-E430 IonicContact NZ-OE2 2.72Å; K426-E430 PolarHBondContact NZ-OE2 3.06Å; K426-E430 WeakPolarHBondContact O-CB 3.14Å; K426-E430 PolarHBondContact O-N 3.27Å; E430-V432 PolarHBondContact O-N 2.95Å; E430-Q433 PolarHBondContact O-N 2.84Å; E430-Q434 WeakPolarHBondContact O-CB 3.4Å; E430-Q434 PolarHBondContact O-N 3.47Å |
| 431 | G | 50 | Low | 53.2 | Low | 45 Ų | 45 | 103.4 Ų | 103.4 | 46% | 0.464 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60 | -41.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D427 Q428 A435 | D427-G431 PolarHBondContact O-N 2.87Å; Q428-G431 PolarHBondContact O-N 3.08Å; G431-A435 WeakPolarHBondContact O-CB 3.34Å; G431-A435 PolarHBondContact O-N 3.09Å |
| 432 | V | 49.8 | Very low | 51.2 | Low | 83 Ų | 83 | 107.6 Ų | 107.6 | 50% | 0.503 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72 | -43.2 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | Q428 L429 E430 Q434 A435 L436 | Q428-V432 WeakPolarHBondContact O-CG2 3.48Å; Q428-V432 PolarHBondContact O-N 2.93Å; L429-V432 PolarHBondContact O-N 3.47Å; E430-V432 PolarHBondContact O-N 2.95Å; V432-Q434 VanDerWaalsContact C-N 3.32Å; V432-Q434 PolarHBondContact O-N 2.79Å; V432-A435 PolarHBondContact O-N 3.43Å; V432-L436 HydrophobicContact CG1-CD1 4.49Å; V432-L436 PolarHBondContact O-N 3.12Å; V432-L436 VanDerWaalsContact O-N 3.09Å |
| 433 | Q | 45.3 | Very low | 49.9 | Very low | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67 | -33 | -179.9 | -172.3 | 172.6 | -21.5 | 0 | 0 | 112.5 | L429 E430 L436 S437 | L429-Q433 VanDerWaalsContact O-CB 3.32Å; L429-Q433 WeakPolarHBondContact O-CB 3.36Å; L429-Q433 PolarHBondContact O-N 2.83Å; E430-Q433 PolarHBondContact O-N 2.84Å; Q433-L436 PolarHBondContact O-N 3.37Å; Q433-S437 WeakPolarHBondContact O-CB 3.37Å; Q433-S437 PolarHBondContact O-N 2.85Å; Q433-S437 PolarHBondContact O-OG 2.8Å |
| 434 | Q | 46.8 | Very low | 48.2 | Very low | 133 Ų | 133 | 113.3 Ų | 113.3 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.2 | -27.2 | 177.9 | -165.3 | 161.3 | -15.6 | 0 | 0 | 112.6 | E430 V432 | E430-Q434 WeakPolarHBondContact O-CB 3.4Å; E430-Q434 PolarHBondContact O-N 3.47Å; V432-Q434 VanDerWaalsContact C-N 3.32Å; V432-Q434 PolarHBondContact O-N 2.79Å |
| 435 | A | 45.7 | Very low | 46.7 | Very low | 80 Ų | 80 | 120 Ų | 120 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.5 | -35.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G431 V432 S437 | G431-A435 WeakPolarHBondContact O-CB 3.34Å; G431-A435 PolarHBondContact O-N 3.09Å; V432-A435 PolarHBondContact O-N 3.43Å; A435-S437 VanDerWaalsContact C-N 3.34Å |
| 436 | L | 44.2 | Very low | 45.1 | Very low | 145 Ų | 145 | 122 Ų | 122 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.3 | -12.4 | 178.5 | -115.2 | 144.5 | 0 | 0 | 0 | 114.3 | V432 Q433 | V432-L436 HydrophobicContact CG1-CD1 4.49Å; V432-L436 PolarHBondContact O-N 3.12Å; V432-L436 VanDerWaalsContact O-N 3.09Å; Q433-L436 PolarHBondContact O-N 3.37Å |
| 437 | S | 42.4 | Very low | 43.5 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 8.5 | -175.4 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | Q433 A435 | Q433-S437 WeakPolarHBondContact O-CB 3.37Å; Q433-S437 PolarHBondContact O-N 2.85Å; Q433-S437 PolarHBondContact O-OG 2.8Å; A435-S437 VanDerWaalsContact C-N 3.34Å |
| 438 | Q | 42.6 | Very low | 42.4 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -108.8 | 18.5 | -176.7 | -100.6 | -174.1 | 20.8 | 0 | 0 | 115.3 | ||
| 439 | A | 35.9 | Very low | 41.7 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | trans | -138.1 | 79.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 440 | A | 32.8 | Very low | 41.7 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -171.7 | 150.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 441 | P | 41.6 | Very low | 41.6 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -115.4 | -173 | -167.7 | 39 | -24.4 | 0 | 0 | 0 | 115.5 | ||||
| 442 | I | 30.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -131.3 | 144.4 | -180 | -50.3 | 175.8 | 0 | 0 | 0 | 105.9 | ||||
| 443 | P | 44.5 | Very low | 41.3 | Very low | 96 Ų | 96 | 137 Ų | 137 | 62% | 0.623 | 78% | 0.777 | S | S | * | * | -118.1 | -159.7 | -129.4 | 18.5 | 5.2 | 0 | 0 | 0 | 116.2 | |||||
| 444 | E | 34.1 | Very low | 41.7 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 80.9 | 99.5 | 166.7 | -30.9 | -59.5 | 154.1 | 0 | 0 | 117.9 | ||||
| 445 | E | 31.4 | Very low | 41.9 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | -179.8 | 134 | 119.7 | -167.8 | 141.6 | 104.7 | 0 | 0 | 111 | |||||
| 446 | D | 38.3 | Very low | 42.7 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -68.6 | 138 | -173.5 | -73.5 | -49.4 | 0 | 0 | 0 | 114.9 | ||||
| 447 | T | 35.9 | Very low | 43.6 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | -172.1 | 132.6 | 119.9 | 12.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 448 | D | 39.9 | Very low | 44.5 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -62.2 | 143.5 | -179.6 | -62.4 | -64.3 | 0 | 0 | 0 | 113.8 | ||||
| 449 | T | 41.9 | Very low | 46.1 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 93% | 0.933 | 79% | 0.793 | S | S | * | * | trans | -146.6 | 126.8 | 141.8 | -8.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 450 | E | 49.4 | Very low | 47.7 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 131 | -166.3 | 179.6 | -175 | 155.4 | 0 | 0 | 112.8 | ||||
| 451 | E | 49.9 | Very low | 49.3 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 150.7 | 77.9 | 151.5 | -88.3 | -171.6 | 153.3 | 0 | 0 | 109.9 | ||||
| 452 | G | 47.1 | Very low | 51 | Low | 68 Ų | 68 | 144.5 Ų | 144.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -104.3 | 117.7 | 159 | 0 | 0 | 0 | 0 | 0 | 108 | D454 | G452-D454 PolarHBondContact O-N 2.82Š| ||
| 453 | D | 46.6 | Very low | 53 | Low | 133 Ų | 133 | 141.3 Ų | 141.3 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -74.1 | 92.1 | -179.5 | -154.9 | 13.6 | 0 | 0 | 0 | 108.6 | F455 | D453-F455 HydrophobicContact CB-CD2 4.47Å; D453-F455 HydrophobicContact CB-CE2 4Å; D453-F455 WeakPolarHBondContact O-CD2 3.37Å; D453-F455 PolarHBondContact O-N 3.35Å; D453-F455 WeakPolarHBondContact OD2-CE2 3.3Å; D453-F455 WeakPolarHBondContact OD2-CZ 3.27Å | ||
| 454 | D | 53.5 | Low | 54.3 | Low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | -68.8 | 91.7 | 176.7 | -96.8 | -24.6 | 0 | 0 | 0 | 109.2 | G452 E456 | G452-D454 PolarHBondContact O-N 2.82Å; D454-E456 PolarHBondContact O-N 3.28Å | ||
| 455 | F | 52 | Low | 56.3 | Low | 162 Ų | 162 | 139.8 Ų | 139.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -69.5 | 84.6 | 164.8 | -71.7 | -84.5 | 0 | 0 | 0 | 109.2 | D453 L457 | D453-F455 HydrophobicContact CB-CD2 4.47Å; D453-F455 HydrophobicContact CB-CE2 4Å; D453-F455 WeakPolarHBondContact O-CD2 3.37Å; D453-F455 PolarHBondContact O-N 3.35Å; D453-F455 WeakPolarHBondContact OD2-CE2 3.3Å; D453-F455 WeakPolarHBondContact OD2-CZ 3.27Å; F455-L457 PolarHBondContact O-N 3.48Å | ||
| 456 | E | 62.5 | Low | 58.1 | Low | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | -53.6 | 114.2 | 164.4 | -70.6 | -172.1 | 156.6 | 0 | 0 | 108.4 | D454 L458 | D454-E456 PolarHBondContact O-N 3.28Å; E456-L458 PolarHBondContact O-N 2.92Å | ||
| 457 | L | 62.8 | Low | 59.6 | Low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | trans | -70.2 | 114.7 | 176.6 | -66.6 | 173.3 | 0 | 0 | 0 | 107.8 | F455 D459 | F455-L457 PolarHBondContact O-N 3.48Å; L457-D459 PolarHBondContact O-N 3.28Å; L457-D459 VanDerWaalsContact O-N 3.13Å | ||
| 458 | L | 61.1 | Low | 61.1 | Low | 106 Ų | 106 | 127.9 Ų | 127.9 | 56% | 0.555 | 68% | 0.675 | S | S | * | * | trans | -53 | 119.1 | 173.4 | -68.2 | 170.5 | 0 | 0 | 0 | 109.6 | E456 E462 I466 | E456-L458 PolarHBondContact O-N 2.92Å; L458-E462 HydrophobicContact CD2-CB 4.47Å; L458-E462 VanDerWaalsContact CD2-OE2 3.28Å; L458-E462 WeakPolarHBondContact CD2-OE2 3.46Å; L458-I466 HydrophobicContact CD1-CD1 4.23Å | ||
| 459 | D | 75.3 | Confident | 62.6 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | trans | -63.9 | 147.9 | 174.9 | -100.5 | -25.2 | 0 | 0 | 0 | 109.6 | L457 S461 E462 L463 | L457-D459 PolarHBondContact O-N 3.28Å; L457-D459 VanDerWaalsContact O-N 3.13Å; D459-S461 PolarHBondContact O-N 3.42Å; D459-E462 PolarHBondContact O-N 2.71Å; D459-L463 PolarHBondContact O-N 2.85Å | ||
| 460 | Q | 69.9 | Low | 63.5 | Low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -56.1 | -29.7 | -169.5 | -69 | -177.9 | -16.5 | 0 | 0 | 113.6 | E462 L463 D464 | Q460-E462 VanDerWaalsContact C-N 3.33Å; Q460-E462 PolarHBondContact O-N 3.29Å; Q460-L463 PolarHBondContact O-N 2.93Å; Q460-D464 VanDerWaalsContact O-CG 3.26Å; Q460-D464 PolarHBondContact O-N 3.02Å |
| 461 | S | 67.5 | Low | 63.8 | Low | 83 Ų | 83 | 120.4 Ų | 120.4 | 58% | 0.58 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.8 | -28 | 175.2 | 50 | 0 | 0 | 0 | 0 | 114.7 | D459 Q465 | D459-S461 PolarHBondContact O-N 3.42Å; S461-Q465 WeakPolarHBondContact O-CB 3.42Å; S461-Q465 PolarHBondContact O-N 3.14Å; S461-Q465 VanDerWaalsContact O-N 3.15Å |
| 462 | E | 76.1 | Confident | 64.1 | Low | 96 Ų | 96 | 117.1 Ų | 117.1 | 45% | 0.449 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -79.2 | -33.9 | 174.2 | -62.4 | -168.7 | 152.2 | 0 | 0 | 110.7 | L458 D459 Q460 Q465 I466 | L458-E462 HydrophobicContact CD2-CB 4.47Å; L458-E462 VanDerWaalsContact CD2-OE2 3.28Å; L458-E462 WeakPolarHBondContact CD2-OE2 3.46Å; D459-E462 PolarHBondContact O-N 2.71Å; Q460-E462 VanDerWaalsContact C-N 3.33Å; Q460-E462 PolarHBondContact O-N 3.29Å; E462-Q465 WeakPolarHBondContact O-CB 3.39Å; E462-Q465 PolarHBondContact O-N 3.4Å; E462-I466 WeakPolarHBondContact O-CD1 3.42Å; E462-I466 VanDerWaalsContact O-CG1 3.24Å; E462-I466 WeakPolarHBondContact O-CG1 3.49Å; E462-I466 PolarHBondContact O-N 3.35Å |
| 463 | L | 73.5 | Confident | 64.3 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.3 | -45.5 | 172.3 | -167.8 | 66.4 | 0 | 0 | 0 | 111.5 | D459 Q460 Q465 I466 E467 | D459-L463 PolarHBondContact O-N 2.85Å; Q460-L463 PolarHBondContact O-N 2.93Å; L463-Q465 VanDerWaalsContact C-N 3.25Å; L463-Q465 PolarHBondContact O-N 3.26Å; L463-I466 PolarHBondContact O-N 3.03Å; L463-E467 PolarHBondContact O-N 3.47Å |
| 464 | D | 71.2 | Confident | 64.5 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.4 | -35.3 | 173.4 | -67.7 | -11.9 | 0 | 0 | 0 | 111.6 | Q460 E467 S468 | Q460-D464 VanDerWaalsContact O-CG 3.26Å; Q460-D464 PolarHBondContact O-N 3.02Å; D464-E467 PolarHBondContact O-N 2.92Å; D464-S468 WeakPolarHBondContact O-CB 3.49Å; D464-S468 PolarHBondContact O-N 2.89Å |
| 465 | Q | 75.7 | Confident | 64.3 | Low | 131 Ų | 131 | 121.6 Ų | 121.6 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.8 | -40.2 | 176.2 | -173 | 168.2 | 26.4 | 0 | 0 | 112 | S461 E462 L463 S468 E469 | S461-Q465 WeakPolarHBondContact O-CB 3.42Å; S461-Q465 PolarHBondContact O-N 3.14Å; S461-Q465 VanDerWaalsContact O-N 3.15Å; E462-Q465 WeakPolarHBondContact O-CB 3.39Å; E462-Q465 PolarHBondContact O-N 3.4Å; L463-Q465 VanDerWaalsContact C-N 3.25Å; L463-Q465 PolarHBondContact O-N 3.26Å; Q465-S468 PolarHBondContact O-N 3.37Å; Q465-E469 WeakPolarHBondContact O-CB 3.34Å; Q465-E469 PolarHBondContact O-N 2.86Å |
| 466 | I | 69.9 | Low | 63.9 | Low | 73 Ų | 73 | 123 Ų | 123 | 37% | 0.374 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.6 | -38.1 | 174.8 | -64.6 | 158.5 | 0 | 0 | 0 | 110.8 | L458 E462 L463 E469 L470 | L458-I466 HydrophobicContact CD1-CD1 4.23Å; E462-I466 WeakPolarHBondContact O-CD1 3.42Å; E462-I466 VanDerWaalsContact O-CG1 3.24Å; E462-I466 WeakPolarHBondContact O-CG1 3.49Å; E462-I466 PolarHBondContact O-N 3.35Å; L463-I466 PolarHBondContact O-N 3.03Å; I466-E469 PolarHBondContact O-N 3.24Å; I466-L470 HydrophobicContact CG2-CD1 3.93Å; I466-L470 WeakPolarHBondContact O-CB 3.42Å; I466-L470 PolarHBondContact O-N 3.14Å |
| 467 | E | 70.6 | Confident | 62.9 | Low | 92 Ų | 92 | 123.5 Ų | 123.5 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.4 | -40.2 | 173.9 | -175.2 | 168.9 | -177.4 | 0 | 0 | 111.9 | L463 D464 G471 L472 | L463-E467 PolarHBondContact O-N 3.47Å; D464-E467 PolarHBondContact O-N 2.92Å; E467-G471 PolarHBondContact O-N 3.01Å; E467-L472 HydrophobicContact CG-CB 4.17Å; E467-L472 HydrophobicContact CG-CD1 4.4Å; E467-L472 PolarHBondContact O-N 2.94Å |
| 468 | S | 66.8 | Low | 61.7 | Low | 75 Ų | 75 | 120.2 Ų | 120.2 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.1 | -34.7 | 173.1 | -177 | 0 | 0 | 0 | 0 | 113 | D464 Q465 G471 | D464-S468 WeakPolarHBondContact O-CB 3.49Å; D464-S468 PolarHBondContact O-N 2.89Å; Q465-S468 PolarHBondContact O-N 3.37Å; S468-G471 PolarHBondContact O-N 2.77Å |
| 469 | E | 70.8 | Confident | 60.4 | Low | 169 Ų | 169 | 123.9 Ų | 123.9 | 79% | 0.79 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.6 | -29 | 178.5 | -166.3 | 169.6 | -146.9 | 0 | 0 | 112.2 | Q465 I466 G471 | Q465-E469 WeakPolarHBondContact O-CB 3.34Å; Q465-E469 PolarHBondContact O-N 2.86Å; I466-E469 PolarHBondContact O-N 3.24Å; E469-G471 PolarHBondContact O-N 3.47Å |
| 470 | L | 61.6 | Low | 59 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -6.2 | 167.6 | -83.5 | 162 | 0 | 0 | 0 | 113.8 | I466 L472 | I466-L470 HydrophobicContact CG2-CD1 3.93Å; I466-L470 WeakPolarHBondContact O-CB 3.42Å; I466-L470 PolarHBondContact O-N 3.14Å; L470-L472 VanDerWaalsContact C-N 3.34Å; L470-L472 PolarHBondContact O-N 3.06Å |
| 471 | G | 56 | Low | 57.5 | Low | 45 Ų | 45 | 123 Ų | 123 | 46% | 0.464 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72 | 21.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115 | E467 S468 E469 T473 | E467-G471 PolarHBondContact O-N 3.01Å; S468-G471 PolarHBondContact O-N 2.77Å; E469-G471 PolarHBondContact O-N 3.47Å; G471-T473 PolarHBondContact O-N 3.12Å |
| 472 | L | 55.5 | Low | 55.9 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | trans | -72.6 | -10.8 | -179.5 | -69.6 | 176.3 | 0 | 0 | 0 | 113.6 | E467 L470 Q474 | E467-L472 HydrophobicContact CG-CB 4.17Å; E467-L472 HydrophobicContact CG-CD1 4.4Å; E467-L472 PolarHBondContact O-N 2.94Å; L470-L472 VanDerWaalsContact C-N 3.34Å; L470-L472 PolarHBondContact O-N 3.06Å; L472-Q474 PolarHBondContact O-N 2.92Å | ||
| 473 | T | 51.9 | Low | 53.7 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 63% | 0.632 | 68% | 0.682 | S | S | * | * | trans | -98.6 | 56.9 | 172.2 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | G471 | G471-T473 PolarHBondContact O-N 3.12Š| ||
| 474 | Q | 51.3 | Low | 51.8 | Low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -131.1 | 36.5 | 166.2 | -151.2 | -173.4 | -5.4 | 0 | 0 | 114.2 | L472 | L472-Q474 PolarHBondContact O-N 2.92Š|
| 475 | D | 47.6 | Very low | 50.7 | Low | 169 Ų | 169 | 137 Ų | 137 | 90% | 0.904 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -149.6 | 20.5 | 165.1 | -100.9 | -33.9 | 0 | 0 | 0 | 114.2 | ||
| 476 | Q | 45.6 | Very low | 49.1 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -135.3 | 25.1 | 177 | -150.9 | 169.7 | -0.7 | 0 | 0 | 115.2 | ||
| 477 | E | 40.7 | Very low | 48 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -141.3 | 41.9 | 166.5 | -132.5 | 177.1 | -177.6 | 0 | 0 | 113.8 | ||
| 478 | A | 37.6 | Very low | 46.6 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -112 | 135.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 479 | E | 33.8 | Very low | 45.8 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 35.2 | 172.8 | -51.3 | -150.5 | 123.2 | 0 | 0 | 119 | Q481 | E479-Q481 PolarHBondContact O-N 3.24Š| ||
| 480 | A | 44.7 | Very low | 44.8 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -70.2 | 50.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 481 | Q | 39.2 | Very low | 44.4 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -178.8 | 93.6 | 166.5 | -108.4 | 166.2 | 68.7 | 0 | 0 | 113.2 | E479 | E479-Q481 PolarHBondContact O-N 3.24Š| ||
| 482 | Q | 33.7 | Very low | 44 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | -178.9 | 128.7 | 123.8 | -100.2 | 175.8 | 56.8 | 0 | 0 | 115.8 | |||||
| 483 | N | 30 | Very low | 43.7 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 59% | 0.588 | 78% | 0.776 | S | S | * | * | trans | 49.6 | 116.3 | 146.3 | -88.6 | -65.6 | 0 | 0 | 0 | 122.4 | ||||
| 484 | K | 34.6 | Very low | 43.7 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 63.6 | 114.5 | 130.7 | -68 | 168 | -175 | 145.6 | 0 | 120.4 | ||||
| 485 | K | 46.8 | Very low | 43.1 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | 29.6 | 98.8 | 124.6 | -65.7 | -177.5 | 176 | -178.4 | 0 | 118.2 | |||||
| 486 | S | 41.8 | Very low | 43 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | -162.4 | 129.1 | 128.9 | 49.1 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 487 | S | 47.2 | Very low | 42.6 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | 68 | 68.1 | 48.7 | -168.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 488 | G | 42.2 | Very low | 42.6 | Very low | 42 Ų | 42 | 140.2 Ų | 140.2 | 43% | 0.433 | 79% | 0.793 | S | S | . | * | 87.8 | 105.9 | 125.3 | 0 | 0 | 0 | 0 | 0 | 119 | S491 | G488-S491 WeakPolarHBondContact CA-OG 3.42Å; G488-S491 PolarHBondContact O-OG 2.71Å | |||
| 489 | F | 50 | Low | 42.9 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -92.7 | -26.7 | 155.9 | -92.3 | -86.9 | 0 | 0 | 0 | 113.1 | ||
| 490 | L | 48.9 | Very low | 43.4 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -80.2 | -16.7 | 175.9 | -63.9 | -179.1 | 0 | 0 | 0 | 113.8 | N492 | L490-N492 PolarHBondContact O-N 3.4Š|
| 491 | S | 53 | Low | 43.3 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 57% | 0.566 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -80 | 10.6 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | G488 | G488-S491 WeakPolarHBondContact CA-OG 3.42Å; G488-S491 PolarHBondContact O-OG 2.71Å |
| 492 | N | 47.2 | Very low | 43.6 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -124.4 | 2 | -179.2 | -99.8 | -43.5 | 0 | 0 | 0 | 114.5 | L490 | L490-N492 PolarHBondContact O-N 3.4Š|
| 493 | L | 49.9 | Very low | 44.3 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -28.3 | -176 | -141.3 | 85.5 | 0 | 0 | 0 | 116 | ||
| 494 | L | 52.2 | Low | 45.3 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -106.2 | 97.1 | 170.1 | -98.6 | 67.2 | 0 | 0 | 0 | 108.7 | ||
| 495 | G | 38.5 | Very low | 46.1 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -73.1 | 166.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 496 | G | 44.9 | Very low | 46 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -69 | 163.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 497 | H | 36.8 | Very low | 46.4 | Very low | 256 Ų | 256 | 134.8 Ų | 134.8 | 100% | 1.185 | 80% | 0.802 | S | S | * | * | trans | -141.7 | 0 | 130 | -167 | -61.9 | 0 | 0 | 0 | 108.1 |
Retrieved 497 of 497 residues in 143.8 ms
(Link to these results)