| 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 | S | 30.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 100% | 1.091 | 79% | 0.789 | S | S | * | * | 0 | 120.8 | 0 | -53 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 2 | P | 36 | Very low | 30.5 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 122.4 | 172.6 | 31.9 | -26 | 0 | 0 | 0 | 109.4 | ||
| 3 | H | 36.7 | Very low | 30.7 | Very low | 180 Ų | 180 | 140 Ų | 140 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 124.9 | 176.7 | -83.9 | -89.5 | 0 | 0 | 0 | 110.5 | ||
| 4 | F | 28.3 | Very low | 30.8 | Very low | 206 Ų | 206 | 137.4 Ų | 137.4 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.5 | 163.9 | -107.8 | -100.4 | 0 | 0 | 0 | 109.4 | ||
| 5 | C | 28.7 | Very low | 31 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 58% | 0.581 | 74% | 0.738 | S | S | * | * | trans | -106.4 | 120.4 | 162.8 | -84.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | P | 27.5 | Very low | 31.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -69.5 | 136.8 | -178.2 | 27.9 | -31.8 | 0 | 0 | 0 | 110.5 | N8 | P6-N8 VanDerWaalsContact C-N 3.33Å; P6-N8 PolarHBondContact O-N 3.42Å | ||
| 7 | A | 28.9 | Very low | 31.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -67.7 | 87 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | N | 28.2 | Very low | 31.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | -116.9 | 101.2 | 164.7 | -102 | -22.4 | 0 | 0 | 0 | 110 | P6 F10 Q11 | P6-N8 VanDerWaalsContact C-N 3.33Å; P6-N8 PolarHBondContact O-N 3.42Å; N8-F10 PolarHBondContact O-N 2.83Å; N8-Q11 PolarHBondContact O-N 3.12Å | ||
| 9 | I | 29 | Very low | 32.3 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -1 | 114.4 | 142.2 | -61.7 | 161.5 | 0 | 0 | 0 | 112.2 | ||
| 10 | F | 29 | Very low | 32.7 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 74% | 0.737 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.7 | 7.9 | 174.4 | -85.1 | -82.8 | 0 | 0 | 0 | 121.4 | N8 K175 | N8-F10 PolarHBondContact O-N 2.83Å; F10-K175 HydrophobicContact CZ-CD 4.09Å |
| 11 | Q | 28.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | trans | -107.1 | 109.4 | 166.8 | -86 | -178.8 | -22.8 | 0 | 0 | 112.7 | N8 T13 | N8-Q11 PolarHBondContact O-N 3.12Å; Q11-T13 PolarHBondContact O-N 2.77Å; Q11-T13 PolarHBondContact O-OG1 3.41Å | ||
| 12 | R | 34.7 | Very low | 33.3 | Very low | 173 Ų | 173 | 134 Ų | 134 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | trans | -63.9 | 86.6 | 160.8 | -73.3 | -176.1 | 177.9 | -173.1 | 0.2 | 107.8 | C14 | R12-C14 PolarHBondContact O-N 2.99Š| ||
| 13 | T | 32.6 | Very low | 33.4 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 52% | 0.515 | 70% | 0.703 | S | S | . | * | trans | -75.8 | 111.5 | 177.1 | 8.5 | 0 | 0 | 0 | 0 | 108.5 | Q11 C15 | Q11-T13 PolarHBondContact O-N 2.77Å; Q11-T13 PolarHBondContact O-OG1 3.41Å; T13-C15 PolarHBondContact O-N 3.48Å; T13-C15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | C | 32.2 | Very low | 33 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | trans | -62.5 | 107.3 | 167.9 | -83.9 | 0 | 0 | 0 | 0 | 109.1 | R12 C16 | R12-C14 PolarHBondContact O-N 2.99Å; C14-C16 PolarHBondContact O-N 3.43Å | ||
| 15 | C | 33.9 | Very low | 33.3 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 52% | 0.52 | 67% | 0.67 | S | S | . | * | B | Isolated β-bridge | trans | -84.4 | 92.5 | 163.7 | -67.2 | 0 | 0 | 0 | 0 | 108.2 | T13 | T13-C15 PolarHBondContact O-N 3.48Å; T13-C15 VanDerWaalsContact O-N 3.1Å |
| 16 | C | 32.6 | Very low | 33.5 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 50% | 0.5 | 67% | 0.671 | S | S | . | * | trans | -93.5 | 119.5 | 168.8 | -64.4 | 0 | 0 | 0 | 0 | 109.1 | C14 K18 | C14-C16 PolarHBondContact O-N 3.43Å; C16-K18 PolarHBondContact O-N 3.19Å | ||
| 17 | N | 34 | Very low | 33.6 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | trans | -71.3 | 120.1 | 168.5 | -156.4 | 4.7 | 0 | 0 | 0 | 108 | T19 E20 | N17-T19 PolarHBondContact O-N 3.41Å; N17-E20 PolarHBondContact O-N 3.39Å | ||
| 18 | K | 40.4 | Very low | 33.7 | Very low | 213 Ų | 213 | 125.4 Ų | 125.4 | 93% | 0.926 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -0.5 | -175 | -88.3 | -174.5 | 176 | -179.8 | 0 | 114.3 | C16 | C16-K18 PolarHBondContact O-N 3.19Š|
| 19 | T | 42.6 | Very low | 33.7 | Very low | 115 Ų | 115 | 125 Ų | 125 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -5.4 | -175.7 | 44.5 | 0 | 0 | 0 | 0 | 115 | N17 | N17-T19 PolarHBondContact O-N 3.41Š|
| 20 | E | 40.6 | Very low | 33.6 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | trans | -136.4 | 91.2 | 177.6 | -72.2 | -175.1 | 164.4 | 0 | 0 | 111.1 | N17 K22 | N17-E20 PolarHBondContact O-N 3.39Å; E20-K22 PolarHBondContact O-N 2.69Å | ||
| 21 | S | 36.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 87% | 0.867 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 29.6 | -172.3 | 53.9 | 0 | 0 | 0 | 0 | 116 | ||
| 22 | K | 39.2 | Very low | 33.4 | Very low | 184 Ų | 184 | 122.1 Ų | 122.1 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | -10.8 | -177.7 | -71.6 | -171.6 | 178.4 | 179.3 | 0 | 117 | E20 | E20-K22 PolarHBondContact O-N 2.69Š|
| 23 | H | 37 | Very low | 33.1 | Very low | 117 Ų | 117 | 124.2 Ų | 124.2 | 54% | 0.542 | 68% | 0.682 | S | S | . | * | trans | -135.3 | 103.5 | -172.8 | -65.9 | -23.3 | 0 | 0 | 0 | 113.1 | ||||
| 24 | C | 29.7 | Very low | 33 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 55% | 0.554 | 70% | 0.695 | S | S | * | * | trans | -92.8 | 118.8 | 168.7 | -66.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 25 | H | 35 | Very low | 33 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 48% | 0.477 | 68% | 0.684 | S | S | . | * | B | Isolated β-bridge | trans | -89.8 | 118.4 | 175.5 | -71.1 | -86.3 | 0 | 0 | 0 | 110.3 | Y27 | H25-Y27 HydrophobicContact CB-CD2 4.4Å; H25-Y27 HydrophobicContact CB-CE2 3.81Å |
| 26 | V | 31.5 | Very low | 32.9 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 60% | 0.6 | 69% | 0.69 | S | S | * | * | trans | -88 | 109.3 | 167.4 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | A28 | V26-A28 PolarHBondContact O-N 3.26Š| ||
| 27 | Y | 30.7 | Very low | 32.9 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 62% | 0.624 | 70% | 0.703 | S | S | * | * | trans | -80.5 | 104.3 | 176.6 | -67.4 | -84.6 | 0 | 0 | 0 | 109.6 | H25 | H25-Y27 HydrophobicContact CB-CD2 4.4Å; H25-Y27 HydrophobicContact CB-CE2 3.81Å | ||
| 28 | A | 30.2 | Very low | 32.7 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | trans | -105.4 | 120.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | V26 A30 | V26-A28 PolarHBondContact O-N 3.26Å; A28-A30 PolarHBondContact O-N 3.38Å | ||
| 29 | S | 28.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 0.7 | 113.4 | 158.3 | -178 | 0 | 0 | 0 | 0 | 116.4 | K31 | S29-K31 PolarHBondContact O-N 2.89Š|
| 30 | A | 26.8 | Very low | 31.8 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78 | -6.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | A28 | A28-A30 PolarHBondContact O-N 3.38Š|
| 31 | K | 28.3 | Very low | 31.3 | Very low | 188 Ų | 188 | 120.5 Ų | 120.5 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | trans | -155.1 | 110.9 | 170.1 | -101.5 | 166.4 | -168.7 | 175.4 | 0 | 112.2 | S29 R33 | S29-K31 PolarHBondContact O-N 2.89Å; K31-R33 PolarHBondContact O-N 3.34Å; K31-R33 VanDerWaalsContact O-N 3.17Å | ||
| 32 | C | 25.5 | Very low | 31.3 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 87% | 0.865 | 63% | 0.632 | S | S | * | * | trans | -67.4 | 108.8 | 174.6 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 33 | R | 27.5 | Very low | 31.3 | Very low | 218 Ų | 218 | 112.9 Ų | 112.9 | 82% | 0.823 | 61% | 0.614 | S | S | * | * | trans | -127.4 | 137.9 | 161.2 | -77.6 | -172.7 | -179.6 | -177.7 | -0.2 | 109.3 | K31 L35 | K31-R33 PolarHBondContact O-N 3.34Å; K31-R33 VanDerWaalsContact O-N 3.17Å; R33-L35 PolarHBondContact O-N 2.09Å | ||
| 34 | K | 30.5 | Very low | 31.2 | Very low | 181 Ų | 181 | 111.2 Ų | 111.2 | 79% | 0.787 | 61% | 0.608 | S | S | * | * | trans | -55.6 | 123.1 | 166.7 | -94.6 | -179.7 | 171.7 | 179.8 | 0 | 107.9 | ||||
| 35 | L | 33.1 | Very low | 31.6 | Very low | 90 Ų | 90 | 113.3 Ų | 113.3 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | trans | -112.3 | 118.9 | 171.4 | -119.4 | 88.7 | 0 | 0 | 0 | 108.1 | R33 N39 A40 L43 | R33-L35 PolarHBondContact O-N 2.09Å; L35-N39 HydrophobicContact CD2-CB 3.92Å; L35-N39 HydrophobicContact CG-CB 4.12Å; L35-A40 HydrophobicContact CD2-CB 4.18Å; L35-L43 HydrophobicContact CD2-CD1 3.58Å | ||
| 36 | D | 31.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 65% | 0.652 | 61% | 0.609 | S | S | * | * | trans | -62.3 | 142.9 | 168.7 | -67.2 | -47.5 | 0 | 0 | 0 | 109.9 | V38 N39 A40 | D36-V38 PolarHBondContact O-N 3.06Å; D36-N39 PolarHBondContact O-N 3.46Å; D36-A40 PolarHBondContact O-N 2.74Å | ||
| 37 | H | 32.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 112.6 Ų | 112.6 | 76% | 0.764 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -50.9 | -29 | -171.9 | -79.8 | -77.1 | 0 | 0 | 0 | 114.7 | A41 | H37-A41 PolarHBondContact O-N 3.44Å |
| 38 | V | 29.1 | Very low | 32.8 | Very low | 111 Ų | 111 | 110.1 Ų | 110.1 | 67% | 0.673 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69 | -41.5 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | D36 A40 A41 T42 | D36-V38 PolarHBondContact O-N 3.06Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.47Å; V38-A41 PolarHBondContact O-N 3.05Å; V38-T42 PolarHBondContact O-N 2.89Å; V38-T42 PolarHBondContact O-OG1 2.96Å; V38-T42 VanDerWaalsContact O-OG1 3.08Å |
| 39 | N | 33.6 | Very low | 33.3 | Very low | 89 Ų | 89 | 110 Ų | 110 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.1 | -29.8 | 179.8 | -75.2 | -17.2 | 0 | 0 | 0 | 112.2 | L35 D36 T42 L43 | L35-N39 HydrophobicContact CD2-CB 3.92Å; L35-N39 HydrophobicContact CG-CB 4.12Å; D36-N39 PolarHBondContact O-N 3.46Å; N39-T42 PolarHBondContact O-N 3.37Å; N39-L43 WeakPolarHBondContact O-CB 3.31Å; N39-L43 PolarHBondContact O-N 3.19Å |
| 40 | A | 31 | Very low | 34.1 | Very low | 27 Ų | 27 | 108.6 Ų | 108.6 | 22% | 0.223 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -68.2 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L35 D36 V38 L43 I44 | L35-A40 HydrophobicContact CD2-CB 4.18Å; D36-A40 PolarHBondContact O-N 2.74Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.47Å; A40-L43 PolarHBondContact O-N 3.3Å; A40-I44 WeakPolarHBondContact O-CD1 3.15Å; A40-I44 WeakPolarHBondContact O-CG1 3.34Å; A40-I44 PolarHBondContact O-N 3.47Å |
| 41 | A | 30.8 | Very low | 34.8 | Very low | 61 Ų | 61 | 106.6 Ų | 106.6 | 50% | 0.504 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | H37 V38 I44 F45 | H37-A41 PolarHBondContact O-N 3.44Å; V38-A41 PolarHBondContact O-N 3.05Å; A41-I44 PolarHBondContact O-N 3.24Å; A41-F45 WeakPolarHBondContact O-CB 3.31Å; A41-F45 PolarHBondContact O-N 3.37Å |
| 42 | T | 36.1 | Very low | 35.2 | Very low | 69 Ų | 69 | 102.1 Ų | 102.1 | 42% | 0.423 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.7 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | V38 N39 F45 Q46 | V38-T42 PolarHBondContact O-N 2.89Å; V38-T42 PolarHBondContact O-OG1 2.96Å; V38-T42 VanDerWaalsContact O-OG1 3.08Å; N39-T42 PolarHBondContact O-N 3.37Å; T42-F45 PolarHBondContact O-N 3.45Å; T42-Q46 WeakPolarHBondContact O-CB 3.25Å; T42-Q46 WeakPolarHBondContact O-CG 3.13Å; T42-Q46 PolarHBondContact O-N 3.36Å |
| 43 | L | 38.1 | Very low | 35.9 | Very low | 80 Ų | 80 | 99.9 Ų | 99.9 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.6 | -102.9 | 139.6 | 0 | 0 | 0 | 112.4 | L35 N39 A40 F45 Q46 D47 | L35-L43 HydrophobicContact CD2-CD1 3.58Å; N39-L43 WeakPolarHBondContact O-CB 3.31Å; N39-L43 PolarHBondContact O-N 3.19Å; A40-L43 PolarHBondContact O-N 3.3Å; L43-F45 VanDerWaalsContact C-N 3.35Å; L43-Q46 PolarHBondContact O-N 2.72Å; L43-D47 WeakPolarHBondContact O-CB 3.28Å; L43-D47 PolarHBondContact O-N 3.3Å |
| 44 | I | 36.6 | Very low | 36.7 | Very low | 81 Ų | 81 | 94.8 Ų | 94.8 | 42% | 0.415 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.4 | -68.5 | 164.2 | 0 | 0 | 0 | 110.5 | A40 A41 D47 L48 | A40-I44 WeakPolarHBondContact O-CD1 3.15Å; A40-I44 WeakPolarHBondContact O-CG1 3.34Å; A40-I44 PolarHBondContact O-N 3.47Å; A41-I44 PolarHBondContact O-N 3.24Å; I44-D47 PolarHBondContact O-N 3.29Å; I44-L48 VanDerWaalsContact O-CB 3.31Å; I44-L48 WeakPolarHBondContact O-CB 3.42Å; I44-L48 PolarHBondContact O-N 3.44Å |
| 45 | F | 37.8 | Very low | 37.2 | Very low | 127 Ų | 127 | 92.6 Ų | 92.6 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -37.8 | 179.4 | -152.1 | -95.5 | 0 | 0 | 0 | 111.9 | A41 T42 L43 L48 L49 | A41-F45 WeakPolarHBondContact O-CB 3.31Å; A41-F45 PolarHBondContact O-N 3.37Å; T42-F45 PolarHBondContact O-N 3.45Å; L43-F45 VanDerWaalsContact C-N 3.35Å; F45-L48 PolarHBondContact O-N 3.17Å; F45-L49 HydrophobicContact CD1-CD1 3.57Å; F45-L49 HydrophobicContact CD1-CG 4.21Å; F45-L49 HydrophobicContact CE1-CD1 3.76Å; F45-L49 HydrophobicContact CE1-CG 4.26Å; F45-L49 WeakPolarHBondContact O-CB 3.33Å; F45-L49 WeakPolarHBondContact O-CG 3.42Å; F45-L49 PolarHBondContact O-N 3.28Å |
| 46 | Q | 41.6 | Very low | 37.5 | Very low | 107 Ų | 107 | 89.9 Ų | 89.9 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 173 | -78.3 | -178.2 | -8.7 | 0 | 0 | 112.1 | T42 L43 L48 L49 L50 | T42-Q46 WeakPolarHBondContact O-CB 3.25Å; T42-Q46 WeakPolarHBondContact O-CG 3.13Å; T42-Q46 PolarHBondContact O-N 3.36Å; L43-Q46 PolarHBondContact O-N 2.72Å; Q46-L48 VanDerWaalsContact C-N 3.31Å; Q46-L48 PolarHBondContact O-N 3.27Å; Q46-L49 PolarHBondContact O-N 2.89Å; Q46-L50 WeakPolarHBondContact O-CB 3.43Å; Q46-L50 WeakPolarHBondContact O-CD1 3.26Å; Q46-L50 PolarHBondContact O-N 3.48Å |
| 47 | D | 43 | Very low | 38.1 | Very low | 79 Ų | 79 | 86 Ų | 86 | 42% | 0.422 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 176.1 | -86.8 | -11.8 | 0 | 0 | 0 | 112 | L43 I44 S51 | L43-D47 WeakPolarHBondContact O-CB 3.28Å; L43-D47 PolarHBondContact O-N 3.3Å; I44-D47 PolarHBondContact O-N 3.29Å; D47-S51 VanDerWaalsContact O-CB 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.13Å; D47-S51 PolarHBondContact O-N 3.49Å; D47-S51 PolarHBondContact O-OG 3.47Å |
| 48 | L | 37.8 | Very low | 38.5 | Very low | 108 Ų | 108 | 81.7 Ų | 81.7 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.1 | -46.7 | 174.3 | -155.6 | 93.3 | 0 | 0 | 0 | 110.6 | I44 F45 Q46 S51 V52 | I44-L48 VanDerWaalsContact O-CB 3.31Å; I44-L48 WeakPolarHBondContact O-CB 3.42Å; I44-L48 PolarHBondContact O-N 3.44Å; F45-L48 PolarHBondContact O-N 3.17Å; Q46-L48 VanDerWaalsContact C-N 3.31Å; Q46-L48 PolarHBondContact O-N 3.27Å; L48-S51 PolarHBondContact O-N 3.43Å; L48-V52 WeakPolarHBondContact O-CB 3.14Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 2.85Å |
| 49 | L | 40.9 | Very low | 38.9 | Very low | 74 Ų | 74 | 81.5 Ų | 81.5 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175 | -82.3 | 164.2 | 0 | 0 | 0 | 111.5 | F45 Q46 S51 V52 V53 | F45-L49 HydrophobicContact CD1-CD1 3.57Å; F45-L49 HydrophobicContact CD1-CG 4.21Å; F45-L49 HydrophobicContact CE1-CD1 3.76Å; F45-L49 HydrophobicContact CE1-CG 4.26Å; F45-L49 WeakPolarHBondContact O-CB 3.33Å; F45-L49 WeakPolarHBondContact O-CG 3.42Å; F45-L49 PolarHBondContact O-N 3.28Å; Q46-L49 PolarHBondContact O-N 2.89Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.35Å; L49-V52 PolarHBondContact O-N 3.06Å; L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.43Å; L49-V53 WeakPolarHBondContact O-CG2 3.14Å; L49-V53 PolarHBondContact O-N 3.1Å |
| 50 | L | 45 | Very low | 39 | Very low | 77 Ų | 77 | 80 Ų | 80 | 40% | 0.403 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 175 | -98.9 | 120 | 0 | 0 | 0 | 111.9 | Q46 R54 | Q46-L50 WeakPolarHBondContact O-CB 3.43Å; Q46-L50 WeakPolarHBondContact O-CD1 3.26Å; Q46-L50 PolarHBondContact O-N 3.48Å; L50-R54 WeakPolarHBondContact O-CB 3.17Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.41Å |
| 51 | S | 41.2 | Very low | 39.2 | Very low | 57 Ų | 57 | 80.2 Ų | 80.2 | 40% | 0.399 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | D47 L48 L49 R54 L55 | D47-S51 VanDerWaalsContact O-CB 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.13Å; D47-S51 PolarHBondContact O-N 3.49Å; D47-S51 PolarHBondContact O-OG 3.47Å; L48-S51 PolarHBondContact O-N 3.43Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.35Å; S51-R54 PolarHBondContact O-N 3.28Å; S51-L55 WeakPolarHBondContact O-CB 3.32Å; S51-L55 PolarHBondContact O-N 3.42Å |
| 52 | V | 35.6 | Very low | 39.4 | Very low | 94 Ų | 94 | 80.9 Ų | 80.9 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.7 | -41.1 | 175.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L48 L49 L55 G56 | L48-V52 WeakPolarHBondContact O-CB 3.14Å; L48-V52 VanDerWaalsContact O-CG2 3.28Å; L48-V52 WeakPolarHBondContact O-CG2 3.19Å; L48-V52 PolarHBondContact O-N 2.85Å; L49-V52 PolarHBondContact O-N 3.06Å; V52-L55 PolarHBondContact O-N 3.42Å; V52-G56 PolarHBondContact O-N 2.97Å |
| 53 | V | 41.4 | Very low | 39.2 | Very low | 80 Ų | 80 | 79.8 Ų | 79.8 | 49% | 0.485 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -40 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | L49 G56 I57 | L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.43Å; L49-V53 WeakPolarHBondContact O-CG2 3.14Å; L49-V53 PolarHBondContact O-N 3.1Å; V53-G56 PolarHBondContact O-N 3.3Å; V53-I57 HydrophobicContact CG1-CD1 3.52Å; V53-I57 HydrophobicContact CG1-CG1 4.23Å; V53-I57 VanDerWaalsContact O-CB 3.28Å; V53-I57 WeakPolarHBondContact O-CB 3.42Å; V53-I57 WeakPolarHBondContact O-CD1 3.17Å; V53-I57 WeakPolarHBondContact O-CG1 3.29Å; V53-I57 PolarHBondContact O-N 3.08Å |
| 54 | R | 43.1 | Very low | 38.8 | Very low | 112 Ų | 112 | 77.8 Ų | 77.8 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 174.7 | -80.2 | 172.3 | 163.3 | -178.8 | -7.9 | 112.9 | L50 S51 N58 E133 | L50-R54 WeakPolarHBondContact O-CB 3.17Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.41Å; S51-R54 PolarHBondContact O-N 3.28Å; R54-N58 VanDerWaalsContact O-CB 3.29Å; R54-N58 WeakPolarHBondContact O-CB 3.19Å; R54-N58 PolarHBondContact O-N 3.42Å; R54-N58 PolarHBondContact O-ND2 3.46Å; R54-E133 IonicContact CZ-OE1 3.48Å; R54-E133 IonicContact NE-OE1 3.4Å; R54-E133 PolarHBondContact NE-OE1 3.33Å; R54-E133 IonicContact NH2-OE1 2.78Å; R54-E133 PolarHBondContact NH2-OE1 2.98Å |
| 55 | L | 42.1 | Very low | 38.7 | Very low | 135 Ų | 135 | 80.7 Ų | 80.7 | 71% | 0.707 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64 | -48.4 | 173.7 | -134.9 | 89.2 | 0 | 0 | 0 | 109.3 | S51 V52 I57 N58 D59 | S51-L55 WeakPolarHBondContact O-CB 3.32Å; S51-L55 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 3.42Å; L55-I57 PolarHBondContact O-N 3.36Å; L55-N58 PolarHBondContact O-N 3.44Å; L55-D59 VanDerWaalsContact O-CB 3.22Å; L55-D59 WeakPolarHBondContact O-CB 3.23Å; L55-D59 PolarHBondContact O-N 3.26Å |
| 56 | G | 38.9 | Very low | 38.3 | Very low | 32 Ų | 32 | 80 Ų | 80 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V52 V53 M60 | V52-G56 PolarHBondContact O-N 2.97Å; V53-G56 PolarHBondContact O-N 3.3Å; G56-M60 WeakPolarHBondContact O-CA 3.4Å; G56-M60 WeakPolarHBondContact O-CB 3.37Å; G56-M60 WeakPolarHBondContact O-CG 3.38Å; G56-M60 PolarHBondContact O-N 2.91Å |
| 57 | I | 44.1 | Very low | 37.7 | Very low | 41 Ų | 41 | 80.5 Ų | 80.5 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 175.8 | -70.4 | 166.4 | 0 | 0 | 0 | 111.1 | V53 L55 D59 M60 C61 I129 | V53-I57 HydrophobicContact CG1-CD1 3.52Å; V53-I57 HydrophobicContact CG1-CG1 4.23Å; V53-I57 VanDerWaalsContact O-CB 3.28Å; V53-I57 WeakPolarHBondContact O-CB 3.42Å; V53-I57 WeakPolarHBondContact O-CD1 3.17Å; V53-I57 WeakPolarHBondContact O-CG1 3.29Å; V53-I57 PolarHBondContact O-N 3.08Å; L55-I57 PolarHBondContact O-N 3.36Å; I57-D59 VanDerWaalsContact C-N 3.34Å; I57-M60 CarbonylContact O-C 3.6Å; I57-M60 PolarHBondContact O-N 2.8Å; I57-C61 VanDerWaalsContact O-CB 3.31Å; I57-C61 WeakPolarHBondContact O-CB 3.42Å; I57-C61 PolarHBondContact O-N 3.39Å; I57-C61 PolarHBondContact O-SG 3.4Å; I57-I129 HydrophobicContact CD1-CD1 4.23Å |
| 58 | N | 41.4 | Very low | 37.2 | Very low | 74 Ų | 74 | 80.7 Ų | 80.7 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 175.1 | -80.9 | -25.4 | 0 | 0 | 0 | 111.5 | R54 L55 C61 T62 R130 | R54-N58 VanDerWaalsContact O-CB 3.29Å; R54-N58 WeakPolarHBondContact O-CB 3.19Å; R54-N58 PolarHBondContact O-N 3.42Å; R54-N58 PolarHBondContact O-ND2 3.46Å; L55-N58 PolarHBondContact O-N 3.44Å; N58-C61 PolarHBondContact O-N 3.3Å; N58-T62 WeakPolarHBondContact O-CB 3.37Å; N58-T62 PolarHBondContact O-N 2.78Å; N58-T62 PolarHBondContact O-OG1 3.44Å; N58-R130 PolarHBondContact OD1-NH2 2.97Å |
| 59 | D | 37.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 81.2 Ų | 81.2 | 57% | 0.572 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.2 | -38.6 | 175.6 | -158.1 | 33.4 | 0 | 0 | 0 | 110.7 | L55 I57 T62 T63 | L55-D59 VanDerWaalsContact O-CB 3.22Å; L55-D59 WeakPolarHBondContact O-CB 3.23Å; L55-D59 PolarHBondContact O-N 3.26Å; I57-D59 VanDerWaalsContact C-N 3.34Å; D59-T62 PolarHBondContact O-N 3.27Å; D59-T63 WeakPolarHBondContact O-CA 3.43Å; D59-T63 WeakPolarHBondContact O-CB 3.31Å; D59-T63 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-OG1 2.87Å |
| 60 | M | 34.4 | Very low | 36.3 | Very low | 59 Ų | 59 | 79.6 Ų | 79.6 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 173.7 | -79.8 | -172.3 | 78.9 | 0 | 0 | 112.9 | G56 I57 T62 A64 C71 L75 | G56-M60 WeakPolarHBondContact O-CA 3.4Å; G56-M60 WeakPolarHBondContact O-CB 3.37Å; G56-M60 WeakPolarHBondContact O-CG 3.38Å; G56-M60 PolarHBondContact O-N 2.91Å; I57-M60 CarbonylContact O-C 3.6Å; I57-M60 PolarHBondContact O-N 2.8Å; M60-T62 VanDerWaalsContact C-N 3.34Å; M60-A64 WeakPolarHBondContact O-CA 3.21Å; M60-A64 WeakPolarHBondContact O-CB 3.37Å; M60-A64 PolarHBondContact O-N 3.41Å; M60-C71 WeakPolarHBondContact CE-SG 3.47Å; M60-L75 HydrophobicContact CE-CD1 3.75Å; M60-L75 HydrophobicContact CE-CD2 3.79Å; M60-L75 HydrophobicContact CE-CG 3.69Å; M60-L75 HydrophobicContact SD-CD2 4.47Å |
| 61 | C | 34.9 | Very low | 35.7 | Very low | 30 Ų | 30 | 76.5 Ų | 76.5 | 20% | 0.203 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 173.1 | -75.6 | 0 | 0 | 0 | 0 | 110 | I57 N58 I65 | I57-C61 VanDerWaalsContact O-CB 3.31Å; I57-C61 WeakPolarHBondContact O-CB 3.42Å; I57-C61 PolarHBondContact O-N 3.39Å; I57-C61 PolarHBondContact O-SG 3.4Å; N58-C61 PolarHBondContact O-N 3.3Å; C61-I65 WeakPolarHBondContact O-CB 3.22Å; C61-I65 WeakPolarHBondContact O-CD1 3.49Å; C61-I65 WeakPolarHBondContact O-CG1 3.36Å; C61-I65 PolarHBondContact O-N 3.06Å; C61-I65 VanDerWaalsContact O-N 3.11Å |
| 62 | T | 36.2 | Very low | 35.3 | Very low | 75 Ų | 75 | 78.4 Ų | 78.4 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 176.9 | -50.7 | 0 | 0 | 0 | 0 | 110.7 | N58 D59 M60 I65 L66 | N58-T62 WeakPolarHBondContact O-CB 3.37Å; N58-T62 PolarHBondContact O-N 2.78Å; N58-T62 PolarHBondContact O-OG1 3.44Å; D59-T62 PolarHBondContact O-N 3.27Å; M60-T62 VanDerWaalsContact C-N 3.34Å; T62-I65 PolarHBondContact O-N 2.9Å; T62-L66 HydrophobicContact CG2-CD1 4.02Å; T62-L66 WeakPolarHBondContact O-CB 3.43Å; T62-L66 WeakPolarHBondContact O-CD1 3.5Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.25Å; T62-L66 PolarHBondContact O-N 2.94Å; T62-L66 VanDerWaalsContact O-N 3.15Å |
| 63 | T | 31.1 | Very low | 35.3 | Very low | 46 Ų | 46 | 79.3 Ų | 79.3 | 28% | 0.282 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.6 | -33.2 | -179.3 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | D59 I65 L66 F67 A70 | D59-T63 WeakPolarHBondContact O-CA 3.43Å; D59-T63 WeakPolarHBondContact O-CB 3.31Å; D59-T63 PolarHBondContact O-N 3.45Å; D59-T63 PolarHBondContact O-OG1 2.87Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-L66 PolarHBondContact O-N 3.19Å; T63-F67 CarbonylContact O-C 3.37Å; T63-F67 WeakPolarHBondContact O-CA 3.47Å; T63-F67 PolarHBondContact O-N 3.13Å; T63-A70 HydrophobicContact CG2-CB 4.38Å |
| 64 | A | 30.4 | Very low | 34.9 | Very low | 39 Ų | 39 | 84.7 Ų | 84.7 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.2 | -25.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M60 C71 | M60-A64 WeakPolarHBondContact O-CA 3.21Å; M60-A64 WeakPolarHBondContact O-CB 3.37Å; M60-A64 PolarHBondContact O-N 3.41Å; A64-C71 HydrophobicContact CB-CB 4.31Å |
| 65 | I | 34 | Very low | 34.5 | Very low | 142 Ų | 142 | 81.3 Ų | 81.3 | 73% | 0.728 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -72.8 | -34.5 | 169.7 | -70.8 | 166.3 | 0 | 0 | 0 | 110.8 | C61 T62 T63 | C61-I65 WeakPolarHBondContact O-CB 3.22Å; C61-I65 WeakPolarHBondContact O-CD1 3.49Å; C61-I65 WeakPolarHBondContact O-CG1 3.36Å; C61-I65 PolarHBondContact O-N 3.06Å; C61-I65 VanDerWaalsContact O-N 3.11Å; T62-I65 PolarHBondContact O-N 2.9Å; T63-I65 VanDerWaalsContact C-N 3.34Å |
| 66 | L | 29.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 80.1 Ų | 80.1 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -92.6 | -30.3 | -175.8 | -70.2 | 165.3 | 0 | 0 | 0 | 114.1 | T62 T63 | T62-L66 HydrophobicContact CG2-CD1 4.02Å; T62-L66 WeakPolarHBondContact O-CB 3.43Å; T62-L66 WeakPolarHBondContact O-CD1 3.5Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.25Å; T62-L66 PolarHBondContact O-N 2.94Å; T62-L66 VanDerWaalsContact O-N 3.15Å; T63-L66 PolarHBondContact O-N 3.19Å |
| 67 | F | 28.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 81.9 Ų | 81.9 | 52% | 0.522 | 44% | 0.439 | S | S | . | . | trans | -152.7 | 81.9 | -172 | -60.9 | -76.6 | 0 | 0 | 0 | 111.2 | T63 D69 A70 C71 | T63-F67 CarbonylContact O-C 3.37Å; T63-F67 WeakPolarHBondContact O-CA 3.47Å; T63-F67 PolarHBondContact O-N 3.13Å; F67-D69 PolarHBondContact O-N 3.05Å; F67-A70 HydrophobicContact CB-CB 3.67Å; F67-A70 PolarHBondContact O-N 3.45Å; F67-A70 VanDerWaalsContact O-N 3.11Å; F67-C71 PolarHBondContact O-N 2.79Å | ||
| 68 | P | 32.6 | Very low | 33.2 | Very low | 82 Ų | 82 | 84.2 Ų | 84.2 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.3 | -33.8 | -179.5 | 21.1 | -31.8 | 0 | 0 | 0 | 113 | C71 | P68-C71 WeakPolarHBondContact O-CB 3.35Å; P68-C71 PolarHBondContact O-N 3.27Å |
| 69 | D | 30.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 89 Ų | 89 | 64% | 0.642 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -74.1 | -26.4 | 180 | -61 | -43.3 | 0 | 0 | 0 | 113.6 | F67 C71 N73 | F67-D69 PolarHBondContact O-N 3.05Å; D69-C71 VanDerWaalsContact C-N 3.34Å; D69-N73 PolarHBondContact O-ND2 3.09Å |
| 70 | A | 30.5 | Very low | 32.1 | Very low | 40 Ų | 40 | 87.3 Ų | 87.3 | 33% | 0.331 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.6 | -29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | T63 F67 I72 N73 W74 | T63-A70 HydrophobicContact CG2-CB 4.38Å; F67-A70 HydrophobicContact CB-CB 3.67Å; F67-A70 PolarHBondContact O-N 3.45Å; F67-A70 VanDerWaalsContact O-N 3.11Å; A70-I72 VanDerWaalsContact C-N 3.35Å; A70-I72 PolarHBondContact O-N 3.15Å; A70-N73 PolarHBondContact O-N 3.37Å; A70-W74 PolarHBondContact O-N 2.98Å |
| 71 | C | 31.9 | Very low | 31.9 | Very low | 12 Ų | 12 | 90.9 Ų | 90.9 | 8% | 0.081 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 179.8 | -163.3 | 0 | 0 | 0 | 0 | 112.2 | M60 A64 F67 P68 D69 L75 | M60-C71 WeakPolarHBondContact CE-SG 3.47Å; A64-C71 HydrophobicContact CB-CB 4.31Å; F67-C71 PolarHBondContact O-N 2.79Å; P68-C71 WeakPolarHBondContact O-CB 3.35Å; P68-C71 PolarHBondContact O-N 3.27Å; D69-C71 VanDerWaalsContact C-N 3.34Å; C71-L75 WeakPolarHBondContact O-CG 3.07Å; C71-L75 PolarHBondContact O-N 3.16Å |
| 72 | I | 33.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 93.8 Ų | 93.8 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -46.8 | 179 | -64.6 | 173 | 0 | 0 | 0 | 110.5 | A70 W74 L75 L76 | A70-I72 VanDerWaalsContact C-N 3.35Å; A70-I72 PolarHBondContact O-N 3.15Å; I72-W74 VanDerWaalsContact C-N 3.3Å; I72-W74 PolarHBondContact O-N 3.19Å; I72-L75 PolarHBondContact O-N 2.76Å; I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CD1 3.36Å; I72-L76 PolarHBondContact O-N 3.46Å |
| 73 | N | 33.7 | Very low | 31.1 | Very low | 113 Ų | 113 | 100.5 Ų | 100.5 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.2 | -27.4 | -177.4 | -73.6 | -47.8 | 0 | 0 | 0 | 113.5 | D69 A70 P77 | D69-N73 PolarHBondContact O-ND2 3.09Å; A70-N73 PolarHBondContact O-N 3.37Å; N73-P77 WeakPolarHBondContact O-CD 3.31Å |
| 74 | W | 34.2 | Very low | 30.8 | Very low | 192 Ų | 192 | 103.9 Ų | 103.9 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.6 | -26.6 | 175.6 | -114.3 | 80.3 | 0 | 0 | 0 | 113.7 | A70 I72 P77 | A70-W74 PolarHBondContact O-N 2.98Å; I72-W74 VanDerWaalsContact C-N 3.3Å; I72-W74 PolarHBondContact O-N 3.19Å; W74-P77 WeakPolarHBondContact O-CD 3.2Å; W74-P77 WeakPolarHBondContact O-CG 3.12Å |
| 75 | L | 35 | Very low | 30.7 | Very low | 41 Ų | 41 | 110.8 Ų | 110.8 | 22% | 0.215 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -78.9 | -34.8 | 179.1 | -80.6 | 167.7 | 0 | 0 | 0 | 112.8 | M60 C71 I72 L78 Y79 | M60-L75 HydrophobicContact CE-CD1 3.75Å; M60-L75 HydrophobicContact CE-CD2 3.79Å; M60-L75 HydrophobicContact CE-CG 3.69Å; M60-L75 HydrophobicContact SD-CD2 4.47Å; C71-L75 WeakPolarHBondContact O-CG 3.07Å; C71-L75 PolarHBondContact O-N 3.16Å; I72-L75 PolarHBondContact O-N 2.76Å; L75-L78 HydrophobicContact CD2-CD1 4.42Å; L75-L78 WeakPolarHBondContact O-CB 3.37Å; L75-L78 PolarHBondContact O-N 3.39Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE2 4.27Å; L75-Y79 HydrophobicContact CD2-CE2 4.5Å; L75-Y79 VanDerWaalsContact O-CD2 3.32Å; L75-Y79 WeakPolarHBondContact O-CD2 3.08Å; L75-Y79 PolarHBondContact O-N 3.44Å |
| 76 | L | 32.4 | Very low | 30.4 | Very low | 110 Ų | 110 | 108.6 Ų | 108.6 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -46.5 | -46.1 | 178.1 | -99.8 | 125.9 | 0 | 0 | 0 | 115 | I72 S80 | I72-L76 HydrophobicContact CG2-CD1 4.18Å; I72-L76 WeakPolarHBondContact O-CD1 3.36Å; I72-L76 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact O-N 3.21Å |
| 77 | P | 31.3 | Very low | 30.1 | Very low | 69 Ų | 69 | 109.2 Ų | 109.2 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -75.8 | -23.6 | 177.3 | 25.2 | -32.1 | 0 | 0 | 0 | 114.5 | N73 W74 S80 Q81 | N73-P77 WeakPolarHBondContact O-CD 3.31Å; W74-P77 WeakPolarHBondContact O-CD 3.2Å; W74-P77 WeakPolarHBondContact O-CG 3.12Å; P77-S80 PolarHBondContact O-N 2.85Å; P77-S80 PolarHBondContact O-OG 2.81Å; P77-S80 VanDerWaalsContact O-OG 3.07Å; P77-Q81 PolarHBondContact O-N 3.45Å |
| 78 | L | 33.4 | Very low | 30 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.8 | -35.1 | 173.3 | -73.3 | 165.1 | 0 | 0 | 0 | 111.2 | L75 S80 Q81 C82 | L75-L78 HydrophobicContact CD2-CD1 4.42Å; L75-L78 WeakPolarHBondContact O-CB 3.37Å; L75-L78 PolarHBondContact O-N 3.39Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.41Å; L78-Q81 PolarHBondContact O-N 2.8Å; L78-C82 WeakPolarHBondContact O-CB 3.08Å; L78-C82 PolarHBondContact O-N 2.89Å |
| 79 | Y | 29.6 | Very low | 29.8 | Very low | 173 Ų | 173 | 110 Ų | 110 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.8 | -33.2 | 173.3 | -88.7 | -86.2 | 0 | 0 | 0 | 113 | L75 | L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE2 4.27Å; L75-Y79 HydrophobicContact CD2-CE2 4.5Å; L75-Y79 VanDerWaalsContact O-CD2 3.32Å; L75-Y79 WeakPolarHBondContact O-CD2 3.08Å; L75-Y79 PolarHBondContact O-N 3.44Å |
| 80 | S | 27.5 | Very low | 29.6 | Very low | 73 Ų | 73 | 110.8 Ų | 110.8 | 51% | 0.51 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -76.9 | -30.2 | 178.1 | 79.5 | 0 | 0 | 0 | 0 | 113 | L76 P77 L78 | L76-S80 PolarHBondContact O-N 3.21Å; P77-S80 PolarHBondContact O-N 2.85Å; P77-S80 PolarHBondContact O-OG 2.81Å; P77-S80 VanDerWaalsContact O-OG 3.07Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.41Å |
| 81 | Q | 28.4 | Very low | 29.3 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -84.1 | -24.3 | 176.4 | -67.4 | -166.4 | 1.7 | 0 | 0 | 113.8 | P77 L78 R83 I84 | P77-Q81 PolarHBondContact O-N 3.45Å; L78-Q81 PolarHBondContact O-N 2.8Å; Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 2.87Å; Q81-I84 PolarHBondContact O-N 2.72Å |
| 82 | C | 28.2 | Very low | 29.1 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.2 | -25.9 | 177.1 | -126.8 | 0 | 0 | 0 | 0 | 113.2 | L78 I84 | L78-C82 WeakPolarHBondContact O-CB 3.08Å; L78-C82 PolarHBondContact O-N 2.89Å; C82-I84 VanDerWaalsContact C-N 3.29Å; C82-I84 PolarHBondContact O-N 3.49Å |
| 83 | R | 27.1 | Very low | 28.7 | Very low | 215 Ų | 215 | 120.3 Ų | 120.3 | 81% | 0.811 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -24.3 | 173 | -99.9 | -169.9 | 178 | -159.1 | 0.9 | 113.7 | Q81 | Q81-R83 VanDerWaalsContact C-N 3.31Å; Q81-R83 PolarHBondContact O-N 2.87Å |
| 84 | I | 25.8 | Very low | 28.4 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 61% | 0.605 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -20.1 | -174.5 | -61.9 | 174.2 | 0 | 0 | 0 | 111.7 | Q81 C82 | Q81-I84 PolarHBondContact O-N 2.72Å; C82-I84 VanDerWaalsContact C-N 3.29Å; C82-I84 PolarHBondContact O-N 3.49Å |
| 85 | R | 27.8 | Very low | 27.9 | Very low | 184 Ų | 184 | 119.1 Ų | 119.1 | 69% | 0.694 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -7.2 | 178.8 | -76.9 | -172.5 | 172.5 | -165.7 | -0.6 | 115.4 | I87 | R85-I87 VanDerWaalsContact C-N 3.28Å; R85-I87 PolarHBondContact O-N 3.4Å |
| 86 | C | 26.3 | Very low | 27.5 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -18.3 | 173.6 | -76.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 87 | I | 24.7 | Very low | 27.1 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90.3 | -17.5 | -177.2 | -61.3 | 173.8 | 0 | 0 | 0 | 112.2 | R85 | R85-I87 VanDerWaalsContact C-N 3.28Å; R85-I87 PolarHBondContact O-N 3.4Å |
| 88 | L | 25.3 | Very low | 26.7 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -93.9 | -4.9 | 179.4 | -88.7 | 124.3 | 0 | 0 | 0 | 114.4 | ||
| 89 | S | 27.3 | Very low | 26.3 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 56% | 0.559 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -88.9 | -10.4 | 176.7 | -165.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 90 | E | 26.8 | Very low | 26.2 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 64% | 0.64 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -77.5 | -19.7 | 175.4 | -80 | -178.1 | 144.2 | 0 | 0 | 113 | ||
| 91 | V | 25.2 | Very low | 25.9 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 76% | 0.758 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -11.2 | -176.4 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 92 | A | 27 | Very low | 25.8 | Very low | 80 Ų | 80 | 125 Ų | 125 | 66% | 0.661 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 2.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | H94 | A92-H94 VanDerWaalsContact C-N 3.33Å; A92-H94 PolarHBondContact O-N 2.88Å |
| 93 | Q | 26.8 | Very low | 25.7 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | trans | -83.6 | 5.7 | -175.5 | -86 | 174.6 | -65.7 | 0 | 0 | 115.3 | ||||
| 94 | H | 25.6 | Very low | 25.5 | Very low | 176 Ų | 176 | 118.7 Ų | 118.7 | 82% | 0.815 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -100.9 | 10.8 | -168.6 | -103.5 | -67.3 | 0 | 0 | 0 | 117.6 | A92 | A92-H94 VanDerWaalsContact C-N 3.33Å; A92-H94 PolarHBondContact O-N 2.88Å |
| 95 | S | 24.3 | Very low | 25.5 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -140.2 | 11.9 | -173.9 | 54.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 96 | V | 26.6 | Very low | 25.5 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -137.9 | 61.1 | 176.2 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | N98 | V96-N98 PolarHBondContact O-N 2.79Š| ||
| 97 | S | 23.4 | Very low | 25.6 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 13.1 | -173.7 | -54.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 98 | N | 24.1 | Very low | 25.7 | Very low | 161 Ų | 161 | 113.6 Ų | 113.6 | 86% | 0.861 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 18.6 | -172.6 | -87.8 | -18.2 | 0 | 0 | 0 | 117.3 | V96 | V96-N98 PolarHBondContact O-N 2.79Š|
| 99 | L | 25.1 | Very low | 25.8 | Very low | 162 Ų | 162 | 114.2 Ų | 114.2 | 85% | 0.848 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -143.1 | 6.7 | 170.4 | -138.1 | 77.6 | 0 | 0 | 0 | 114.9 | ||
| 100 | L | 26.6 | Very low | 25.9 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | trans | -99.1 | 13.8 | -178.1 | -100.1 | 83.7 | 0 | 0 | 0 | 114.2 | A102 | L100-A102 PolarHBondContact O-N 3.31Å; L100-A102 VanDerWaalsContact O-N 3.13Å | ||
| 101 | G | 22.2 | Very low | 25.9 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 92% | 0.918 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 4.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 102 | A | 24.8 | Very low | 26 | Very low | 89 Ų | 89 | 120.4 Ų | 120.4 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 8.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L100 | L100-A102 PolarHBondContact O-N 3.31Å; L100-A102 VanDerWaalsContact O-N 3.13Å |
| 103 | A | 25.7 | Very low | 26.2 | Very low | 69 Ų | 69 | 122.4 Ų | 122.4 | 57% | 0.57 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -116.7 | 2.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 104 | C | 23.9 | Very low | 26.2 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 72% | 0.716 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -106.3 | 10.2 | -176.5 | -78.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 105 | T | 26.1 | Very low | 26.2 | Very low | 128 Ų | 128 | 121.7 Ų | 121.7 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -124.6 | 3.8 | -177.7 | 48 | 0 | 0 | 0 | 0 | 115.4 | ||
| 106 | S | 27.4 | Very low | 26.3 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | trans | -107.9 | 58.5 | 170.7 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | I108 | S106-I108 PolarHBondContact O-N 3.42Š| ||
| 107 | S | 27.6 | Very low | 26.3 | Very low | 72 Ų | 72 | 121 Ų | 121 | 50% | 0.503 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 35.3 | 173.7 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | R111 | S107-R111 VanDerWaalsContact O-CD 3.23Å; S107-R111 WeakPolarHBondContact O-CD 3.45Å; S107-R111 VanDerWaalsContact O-CG 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.28Å |
| 108 | I | 27.5 | Very low | 26.5 | Very low | 124 Ų | 124 | 123 Ų | 123 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -28.9 | -176.6 | -71 | 167.5 | 0 | 0 | 0 | 112 | S106 | S106-I108 PolarHBondContact O-N 3.42Š|
| 109 | L | 28 | Very low | 26.5 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -28.2 | 178.8 | -127.3 | 85.3 | 0 | 0 | 0 | 113.5 | R111 | L109-R111 VanDerWaalsContact C-N 3.35Š|
| 110 | F | 28.9 | Very low | 26.6 | Very low | 175 Ų | 175 | 119.5 Ų | 119.5 | 77% | 0.768 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -11.2 | 177.2 | -130.3 | -95.3 | 0 | 0 | 0 | 112.9 | ||
| 111 | R | 27.1 | Very low | 26.6 | Very low | 172 Ų | 172 | 115.8 Ų | 115.8 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -16.1 | 176.1 | -75.5 | -174.2 | 178.2 | -122.1 | -0.4 | 113.8 | S107 L109 V113 F114 | S107-R111 VanDerWaalsContact O-CD 3.23Å; S107-R111 WeakPolarHBondContact O-CD 3.45Å; S107-R111 VanDerWaalsContact O-CG 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.28Å; L109-R111 VanDerWaalsContact C-N 3.35Å; R111-V113 VanDerWaalsContact C-N 3.31Å; R111-V113 PolarHBondContact O-N 2.88Å; R111-F114 PolarHBondContact O-N 3.34Å |
| 112 | L | 26.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 65% | 0.654 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -15.5 | 176.9 | -77.4 | 166.7 | 0 | 0 | 0 | 113.9 | ||
| 113 | V | 30.7 | Very low | 27 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -13.6 | 172.5 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | R111 | R111-V113 VanDerWaalsContact C-N 3.31Å; R111-V113 PolarHBondContact O-N 2.88Å |
| 114 | F | 26.8 | Very low | 27.1 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 75% | 0.75 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.7 | 1.6 | -173.1 | -94.4 | -87.8 | 0 | 0 | 0 | 114.7 | R111 | R111-F114 PolarHBondContact O-N 3.34Š|
| 115 | L | 26.7 | Very low | 27.3 | Very low | 135 Ų | 135 | 117.7 Ų | 117.7 | 71% | 0.707 | 65% | 0.653 | S | S | * | * | trans | -117.4 | 4.8 | -177.7 | -79.1 | 165.2 | 0 | 0 | 0 | 114.4 | D117 | L115-D117 PolarHBondContact O-N 2.92Š| ||
| 116 | A | 26.5 | Very low | 27.5 | Very low | 70 Ų | 70 | 112.4 Ų | 112.4 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | trans | -80.9 | 66 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | I118 | A116-I118 PolarHBondContact O-N 3.35Š| ||
| 117 | D | 26.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 66% | 0.663 | 62% | 0.616 | S | S | * | * | trans | -48.9 | 124.3 | 166.4 | -126.6 | -11 | 0 | 0 | 0 | 109 | L115 | L115-D117 PolarHBondContact O-N 2.92Š| ||
| 118 | I | 27.5 | Very low | 27.6 | Very low | 145 Ų | 145 | 112 Ų | 112 | 74% | 0.744 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 44.2 | 98.9 | 135.5 | -53.3 | 168.6 | 0 | 0 | 0 | 114.3 | A116 | A116-I118 PolarHBondContact O-N 3.35Š|
| 119 | S | 24 | Very low | 27.8 | Very low | 104 Ų | 104 | 109.7 Ų | 109.7 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 91.1 | 119.5 | 179.6 | 81.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 120 | N | 28 | Very low | 27.9 | Very low | 146 Ų | 146 | 108 Ų | 108 | 78% | 0.781 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 78.2 | 3.8 | 175.6 | -65.3 | -19.3 | 0 | 0 | 0 | 120.8 | C122 | N120-C122 PolarHBondContact O-N 3.44Š|
| 121 | G | 26.7 | Very low | 27.9 | Very low | 25 Ų | 25 | 103 Ų | 103 | 26% | 0.258 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.6 | -16.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | A125 | G121-A125 PolarHBondContact O-N 2.98Å |
| 122 | C | 27.2 | Very low | 27.9 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.3 | -30 | -173.6 | -75 | 0 | 0 | 0 | 0 | 114.1 | N120 | N120-C122 PolarHBondContact O-N 3.44Å |
| 123 | L | 27 | Very low | 28 | Very low | 134 Ų | 134 | 97.9 Ų | 97.9 | 70% | 0.702 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.8 | -40.3 | 174.3 | -103.8 | 141.2 | 0 | 0 | 0 | 111.2 | L127 | L123-L127 HydrophobicContact CD2-CD1 3.98Å; L123-L127 VanDerWaalsContact O-CB 3.25Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CD1 3.38Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3Å |
| 124 | L | 28 | Very low | 27.9 | Very low | 120 Ų | 120 | 97.1 Ų | 97.1 | 63% | 0.628 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.8 | -30.9 | -176.8 | -76.5 | 156 | 0 | 0 | 0 | 113.1 | S128 | L124-S128 VanDerWaalsContact O-CB 3.22Å; L124-S128 WeakPolarHBondContact O-CB 3.29Å; L124-S128 PolarHBondContact O-N 3.08Å; L124-S128 PolarHBondContact O-OG 3.5Å |
| 125 | A | 29.1 | Very low | 27.9 | Very low | 53 Ų | 53 | 94.2 Ų | 94.2 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G121 S128 I129 | G121-A125 PolarHBondContact O-N 2.98Å; A125-S128 WeakPolarHBondContact CA-OG 3.12Å; A125-S128 PolarHBondContact O-OG 3.32Å; A125-I129 WeakPolarHBondContact O-CD1 3.28Å; A125-I129 WeakPolarHBondContact O-CG1 3.16Å; A125-I129 PolarHBondContact O-N 3.46Å |
| 126 | G | 29.4 | Very low | 27.9 | Very low | 17 Ų | 17 | 92.8 Ų | 92.8 | 18% | 0.175 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -73 | -37.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R130 | G126-R130 PolarHBondContact O-N 2.88Å; G126-R130 VanDerWaalsContact O-N 3.15Å |
| 127 | L | 29 | Very low | 27.9 | Very low | 92 Ų | 92 | 91.8 Ų | 91.8 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 174.2 | -87.4 | 153.9 | 0 | 0 | 0 | 112.3 | L123 I129 R130 V131 | L123-L127 HydrophobicContact CD2-CD1 3.98Å; L123-L127 VanDerWaalsContact O-CB 3.25Å; L123-L127 WeakPolarHBondContact O-CB 3.35Å; L123-L127 WeakPolarHBondContact O-CD1 3.38Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.44Å; L127-R130 PolarHBondContact O-N 3.4Å; L127-V131 WeakPolarHBondContact O-CB 3.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.22Å; L127-V131 PolarHBondContact O-N 2.89Å |
| 128 | S | 28.7 | Very low | 27.8 | Very low | 62 Ų | 62 | 88 Ų | 88 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | L124 A125 V132 | L124-S128 VanDerWaalsContact O-CB 3.22Å; L124-S128 WeakPolarHBondContact O-CB 3.29Å; L124-S128 PolarHBondContact O-N 3.08Å; L124-S128 PolarHBondContact O-OG 3.5Å; A125-S128 WeakPolarHBondContact CA-OG 3.12Å; A125-S128 PolarHBondContact O-OG 3.32Å; S128-V132 WeakPolarHBondContact O-CB 3.46Å; S128-V132 WeakPolarHBondContact O-CG2 3.28Å; S128-V132 PolarHBondContact O-N 2.91Å; S128-V132 VanDerWaalsContact O-N 3.09Å |
| 129 | I | 31.2 | Very low | 27.8 | Very low | 77 Ų | 77 | 84.3 Ų | 84.3 | 40% | 0.395 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -40.5 | 173.7 | -65.1 | 167.7 | 0 | 0 | 0 | 111 | I57 A125 L127 E133 | I57-I129 HydrophobicContact CD1-CD1 4.23Å; A125-I129 WeakPolarHBondContact O-CD1 3.28Å; A125-I129 WeakPolarHBondContact O-CG1 3.16Å; A125-I129 PolarHBondContact O-N 3.46Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-I129 PolarHBondContact O-N 3.44Å; I129-E133 PolarHBondContact O-N 3.25Å |
| 130 | R | 29.7 | Very low | 28 | Very low | 114 Ų | 114 | 82.2 Ų | 82.2 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.3 | -35.4 | 177.2 | -75.5 | -135.8 | 175.3 | -161.4 | 1 | 113.8 | N58 G126 L127 V132 E133 L134 | N58-R130 PolarHBondContact OD1-NH2 2.97Å; G126-R130 PolarHBondContact O-N 2.88Å; G126-R130 VanDerWaalsContact O-N 3.15Å; L127-R130 PolarHBondContact O-N 3.4Å; R130-V132 VanDerWaalsContact C-N 3.33Å; R130-E133 PolarHBondContact O-N 3.03Å; R130-L134 HydrophobicContact CB-CD1 4.47Å; R130-L134 WeakPolarHBondContact O-CB 3.5Å; R130-L134 VanDerWaalsContact O-CD1 3.32Å; R130-L134 WeakPolarHBondContact O-CD1 3.23Å; R130-L134 WeakPolarHBondContact O-CG 3.28Å; R130-L134 PolarHBondContact O-N 3.11Å |
| 131 | V | 28.6 | Very low | 28 | Very low | 70 Ų | 70 | 83.2 Ų | 83.2 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.2 | -32.8 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | L127 N135 | L127-V131 WeakPolarHBondContact O-CB 3.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.22Å; L127-V131 PolarHBondContact O-N 2.89Å; V131-N135 VanDerWaalsContact O-CB 3.26Å; V131-N135 WeakPolarHBondContact O-CB 2.95Å; V131-N135 PolarHBondContact O-N 3.41Å |
| 132 | V | 28.7 | Very low | 28.1 | Very low | 97 Ų | 97 | 86.8 Ų | 86.8 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.3 | -36.3 | 173.4 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | S128 R130 C136 | S128-V132 WeakPolarHBondContact O-CB 3.46Å; S128-V132 WeakPolarHBondContact O-CG2 3.28Å; S128-V132 PolarHBondContact O-N 2.91Å; S128-V132 VanDerWaalsContact O-N 3.09Å; R130-V132 VanDerWaalsContact C-N 3.33Å; V132-C136 PolarHBondContact O-N 2.71Å; V132-C136 PolarHBondContact O-SG 3.27Å |
| 133 | E | 28.6 | Very low | 28.1 | Very low | 91 Ų | 91 | 89.2 Ų | 89.2 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.7 | -32.9 | 171.9 | -77.1 | -169.6 | 148.7 | 0 | 0 | 113.2 | R54 I129 R130 C136 S137 | R54-E133 IonicContact CZ-OE1 3.48Å; R54-E133 IonicContact NE-OE1 3.4Å; R54-E133 PolarHBondContact NE-OE1 3.33Å; R54-E133 IonicContact NH2-OE1 2.78Å; R54-E133 PolarHBondContact NH2-OE1 2.98Å; I129-E133 PolarHBondContact O-N 3.25Å; R130-E133 PolarHBondContact O-N 3.03Å; E133-C136 PolarHBondContact O-N 2.66Å; E133-S137 WeakPolarHBondContact O-CB 3.41Å; E133-S137 PolarHBondContact O-N 2.74Å |
| 134 | L | 28 | Very low | 28.3 | Very low | 107 Ų | 107 | 86.2 Ų | 86.2 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76.7 | -34.5 | 177.8 | -75.2 | 162.2 | 0 | 0 | 0 | 112.7 | R130 C136 S137 | R130-L134 HydrophobicContact CB-CD1 4.47Å; R130-L134 WeakPolarHBondContact O-CB 3.5Å; R130-L134 VanDerWaalsContact O-CD1 3.32Å; R130-L134 WeakPolarHBondContact O-CD1 3.23Å; R130-L134 WeakPolarHBondContact O-CG 3.28Å; R130-L134 PolarHBondContact O-N 3.11Å; L134-C136 PolarHBondContact O-N 3.48Å; L134-S137 WeakPolarHBondContact O-CB 3.37Å; L134-S137 PolarHBondContact O-N 2.73Å; L134-S137 VanDerWaalsContact O-N 3.08Å |
| 135 | N | 27.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 86.2 Ų | 86.2 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.5 | -13.6 | 172 | -80.9 | -8.4 | 0 | 0 | 0 | 113.2 | V131 | V131-N135 VanDerWaalsContact O-CB 3.26Å; V131-N135 WeakPolarHBondContact O-CB 2.95Å; V131-N135 PolarHBondContact O-N 3.41Å |
| 136 | C | 25.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 86.5 Ų | 86.5 | 72% | 0.716 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.9 | 168.5 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | V132 E133 L134 | V132-C136 PolarHBondContact O-N 2.71Å; V132-C136 PolarHBondContact O-SG 3.27Å; E133-C136 PolarHBondContact O-N 2.66Å; L134-C136 PolarHBondContact O-N 3.48Å |
| 137 | S | 26.7 | Very low | 28.4 | Very low | 49 Ų | 49 | 88.9 Ų | 88.9 | 34% | 0.343 | 47% | 0.471 | S | S | . | . | trans | -110.2 | 7.8 | -170.7 | -159.4 | 0 | 0 | 0 | 0 | 114.1 | E133 L134 E139 F140 | E133-S137 WeakPolarHBondContact O-CB 3.41Å; E133-S137 PolarHBondContact O-N 2.74Å; L134-S137 WeakPolarHBondContact O-CB 3.37Å; L134-S137 PolarHBondContact O-N 2.73Å; L134-S137 VanDerWaalsContact O-N 3.08Å; S137-E139 PolarHBondContact O-N 3.47Å; S137-F140 PolarHBondContact O-N 3.46Å | ||
| 138 | C | 23.9 | Very low | 28.3 | Very low | 43 Ų | 43 | 86.4 Ų | 86.4 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16.7 | -178.8 | -62.7 | 0 | 0 | 0 | 0 | 113.5 | F140 C184 F188 | C138-F140 VanDerWaalsContact C-N 3.31Å; C138-F140 PolarHBondContact O-N 2.78Å; C138-C184 VanDerWaalsContact CB-SG 3.52Å; C138-F188 HydrophobicContact CB-CE2 4.4Å; C138-F188 WeakPolarHBondContact SG-CE2 3.33Å |
| 139 | E | 27.8 | Very low | 28.4 | Very low | 68 Ų | 68 | 89.1 Ų | 89.1 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -5.6 | 175.3 | -96.2 | 156.6 | -136.5 | 0 | 0 | 115 | S137 P180 S181 | S137-E139 PolarHBondContact O-N 3.47Å; E139-P180 WeakPolarHBondContact OE2-CA 3.38Å; E139-S181 VanDerWaalsContact OE1-C 3.3Å; E139-S181 VanDerWaalsContact OE1-CA 3.28Å; E139-S181 WeakPolarHBondContact OE1-CA 3.36Å; E139-S181 PolarHBondContact OE1-N 3.38Å; E139-S181 PolarHBondContact OE2-N 3.38Å |
| 140 | F | 28 | Very low | 28.3 | Very low | 61 Ų | 61 | 88.1 Ų | 88.1 | 27% | 0.268 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -21.4 | -166.6 | -144.7 | -137.2 | 0 | 0 | 0 | 115.8 | S137 C138 F176 | S137-F140 PolarHBondContact O-N 3.46Å; C138-F140 VanDerWaalsContact C-N 3.31Å; C138-F140 PolarHBondContact O-N 2.78Å; F140-F176 HydrophobicContact CD1-CB 4.46Å; F140-F176 HydrophobicContact CD1-CD1 4.1Å; F140-F176 AromaticContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CE1 4.15Å; F140-F176 AromaticContact CD1-CE2 3.9Å; F140-F176 HydrophobicContact CD1-CE2 3.9Å; F140-F176 AromaticContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CZ 4.06Å; F140-F176 HydrophobicContact CD2-CD1 4.25Å; F140-F176 HydrophobicContact CD2-CE1 4.43Å; F140-F176 HydrophobicContact CE1-CB 3.15Å; F140-F176 AromaticContact CE1-CD1 3.36Å; F140-F176 HydrophobicContact CE1-CD1 3.36Å; F140-F176 AromaticContact CE1-CD2 3.05Å; F140-F176 HydrophobicContact CE1-CD2 3.05Å; F140-F176 AromaticContact CE1-CE1 3.85Å; F140-F176 HydrophobicContact CE1-CE1 3.85Å; F140-F176 AromaticContact CE1-CE2 3.59Å; F140-F176 HydrophobicContact CE1-CE2 3.59Å; F140-F176 AromaticContact CE1-CG 2.94Å; F140-F176 HydrophobicContact CE1-CG 2.94Å; F140-F176 AromaticContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE2-CB 3.82Å; F140-F176 AromaticContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CD1 3.44Å; F140-F176 VanDerWaalsContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CE1 4.02Å; F140-F176 AromaticContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CZ-CB 2.81Å; F140-F176 AromaticContact CZ-CD1 3.14Å; F140-F176 HydrophobicContact CZ-CD1 3.14Å; F140-F176 AromaticContact CZ-CD2 3.69Å; F140-F176 HydrophobicContact CZ-CD2 3.69Å; F140-F176 AromaticContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE2 4.39Å; F140-F176 AromaticContact CZ-CG 2.99Å; F140-F176 HydrophobicContact CZ-CG 2.99Å |
| 141 | K | 28.8 | Very low | 28.4 | Very low | 167 Ų | 167 | 89 Ų | 89 | 73% | 0.726 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -78.8 | -30.5 | -175.4 | -138 | 177.2 | 179.9 | -174.5 | 0 | 111.6 | Q145 | K141-Q145 PolarHBondContact O-N 3.33Å |
| 142 | T | 28.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 89.1 Ų | 89.1 | 61% | 0.613 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.2 | -29.9 | 174.9 | 20.1 | 0 | 0 | 0 | 0 | 113.2 | S146 | T142-S146 PolarHBondContact O-N 2.89Å |
| 143 | F | 27.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 91.1 Ų | 91.1 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -76.5 | -34.6 | -178.5 | -157.7 | -91 | 0 | 0 | 0 | 113 | S146 | F143-S146 PolarHBondContact O-OG 2.72Å |
| 144 | L | 30.1 | Very low | 29 | Very low | 71 Ų | 71 | 91.2 Ų | 91.2 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.4 | -24.8 | 177.4 | -79.5 | 166.1 | 0 | 0 | 0 | 113.4 | C148 F176 | L144-C148 PolarHBondContact O-N 2.79Å; L144-F176 HydrophobicContact CD1-CE2 4.01Å; L144-F176 HydrophobicContact CD1-CZ 3.79Å; L144-F176 HydrophobicContact CD2-CZ 4.12Å; L144-F176 HydrophobicContact CG-CZ 4.12Å |
| 145 | Q | 29.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 90.2 Ų | 90.2 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -82.1 | -36.9 | -177.7 | -153 | 163.1 | -9.1 | 0 | 0 | 111.6 | K141 E149 | K141-Q145 PolarHBondContact O-N 3.33Å; Q145-E149 PolarHBondContact O-N 3.5Å |
| 146 | S | 29.8 | Very low | 29.3 | Very low | 59 Ų | 59 | 90 Ų | 90 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.7 | -30.4 | 174.1 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | T142 F143 E149 A150 | T142-S146 PolarHBondContact O-N 2.89Å; F143-S146 PolarHBondContact O-OG 2.72Å; S146-E149 CarbonylContact O-C 3.57Å; S146-E149 PolarHBondContact O-N 3.5Å; S146-A150 WeakPolarHBondContact O-CB 3.32Å; S146-A150 PolarHBondContact O-N 3.49Å |
| 147 | D | 29.5 | Very low | 29.8 | Very low | 66 Ų | 66 | 91.3 Ų | 91.3 | 35% | 0.353 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -78.7 | -31.3 | 178.7 | -88.2 | -3 | 0 | 0 | 0 | 112.9 | E149 M151 | D147-E149 VanDerWaalsContact C-N 3.32Å; D147-M151 HydrophobicContact CB-CE 3.78Å; D147-M151 VanDerWaalsContact O-CB 3.25Å; D147-M151 WeakPolarHBondContact O-CB 3.47Å; D147-M151 WeakPolarHBondContact O-CE 3.42Å; D147-M151 PolarHBondContact O-N 2.66Å |
| 148 | C | 27.1 | Very low | 30.5 | Very low | 41 Ų | 41 | 94.4 Ų | 94.4 | 28% | 0.277 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.2 | -32.6 | 166.7 | -103.3 | 0 | 0 | 0 | 0 | 111.3 | L144 S152 C169 | L144-C148 PolarHBondContact O-N 2.79Å; C148-S152 VanDerWaalsContact O-CB 3.31Å; C148-S152 WeakPolarHBondContact O-CB 3.38Å; C148-S152 PolarHBondContact O-N 2.77Å; C148-S152 PolarHBondContact O-OG 2.84Å; C148-C169 WeakPolarHBondContact CB-SG 3.5Å; C148-C169 WeakPolarHBondContact SG-CB 3.46Å; C148-C169 CovalentContact SG-SG 2.09Å; C148-C169 PolarHBondContact SG-SG 2.94Å |
| 149 | E | 30.3 | Very low | 31 | Very low | 119 Ų | 119 | 95.3 Ų | 95.3 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -78.7 | -25.9 | 175.2 | -73.4 | 177.4 | -179.6 | 0 | 0 | 113.3 | Q145 S146 D147 S152 N153 | Q145-E149 PolarHBondContact O-N 3.5Å; S146-E149 CarbonylContact O-C 3.57Å; S146-E149 PolarHBondContact O-N 3.5Å; D147-E149 VanDerWaalsContact C-N 3.32Å; E149-S152 WeakPolarHBondContact CA-OG 3.46Å; E149-S152 PolarHBondContact O-OG 3.32Å; E149-S152 VanDerWaalsContact O-OG 3.12Å; E149-N153 PolarHBondContact O-ND2 3.45Å |
| 150 | A | 31 | Very low | 31.1 | Very low | 55 Ų | 55 | 101.2 Ų | 101.2 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -86.8 | -33.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S146 S152 N153 | S146-A150 WeakPolarHBondContact O-CB 3.32Å; S146-A150 PolarHBondContact O-N 3.49Å; A150-S152 VanDerWaalsContact C-N 3.35Å; A150-N153 PolarHBondContact O-N 3.41Å |
| 151 | M | 30.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 104.2 Ų | 104.2 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.2 | -20.5 | 172.5 | -79.9 | -178.4 | -96.3 | 0 | 0 | 113.4 | D147 N153 | D147-M151 HydrophobicContact CB-CE 3.78Å; D147-M151 VanDerWaalsContact O-CB 3.25Å; D147-M151 WeakPolarHBondContact O-CB 3.47Å; D147-M151 WeakPolarHBondContact O-CE 3.42Å; D147-M151 PolarHBondContact O-N 2.66Å; M151-N153 VanDerWaalsContact C-N 3.35Å |
| 152 | S | 30.9 | Very low | 31.7 | Very low | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -80.3 | -16.3 | 171.3 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | C148 E149 A150 | C148-S152 VanDerWaalsContact O-CB 3.31Å; C148-S152 WeakPolarHBondContact O-CB 3.38Å; C148-S152 PolarHBondContact O-N 2.77Å; C148-S152 PolarHBondContact O-OG 2.84Å; E149-S152 WeakPolarHBondContact CA-OG 3.46Å; E149-S152 PolarHBondContact O-OG 3.32Å; E149-S152 VanDerWaalsContact O-OG 3.12Å; A150-S152 VanDerWaalsContact C-N 3.35Å |
| 153 | N | 34 | Very low | 32.1 | Very low | 139 Ų | 139 | 106.1 Ų | 106.1 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -103.4 | 4.1 | -177.3 | -76.5 | -35.4 | 0 | 0 | 0 | 114.4 | E149 A150 M151 | E149-N153 PolarHBondContact O-ND2 3.45Å; A150-N153 PolarHBondContact O-N 3.41Å; M151-N153 VanDerWaalsContact C-N 3.35Å |
| 154 | S | 35.1 | Very low | 32.1 | Very low | 94 Ų | 94 | 104.9 Ų | 104.9 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -104.7 | 11.4 | -177.1 | 62.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 155 | S | 31.9 | Very low | 32.1 | Very low | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -110.1 | 125.7 | 172.8 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 156 | S | 29.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 109.4 Ų | 109.4 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | trans | 67 | 83.6 | 160.1 | 49.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 157 | T | 35.8 | Very low | 31.7 | Very low | 134 Ų | 134 | 113.1 Ų | 113.1 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | -42.8 | 137.8 | 128.2 | 38.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 158 | S | 40.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 115 Ų | 115 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 77.6 | 130.5 | 163 | 72.4 | 0 | 0 | 0 | 0 | 118.6 | ||
| 159 | G | 33.9 | Very low | 31.3 | Very low | 62 Ų | 62 | 117.1 Ų | 117.1 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | 84.4 | 92.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 160 | E | 31.8 | Very low | 31 | Very low | 192 Ų | 192 | 116.2 Ų | 116.2 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | 68.3 | 131.2 | 96.3 | -76.3 | -175.6 | 131.4 | 0 | 0 | 114.3 | |||||
| 161 | S | 36.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 87% | 0.867 | 74% | 0.735 | S | S | * | * | trans | 94 | 114.1 | 161.4 | 77.1 | 0 | 0 | 0 | 0 | 118.2 | N163 | S161-N163 PolarHBondContact O-N 3.23Š| ||
| 162 | N | 32.7 | Very low | 30.4 | Very low | 157 Ų | 157 | 116.7 Ų | 116.7 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -54.4 | 119.3 | 170.1 | -64.5 | -39.2 | 0 | 0 | 0 | 111.4 | ||||
| 163 | N | 35.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 166.7 | 134.5 | 131.9 | -92.2 | -23.9 | 0 | 0 | 0 | 111.3 | S161 | S161-N163 PolarHBondContact O-N 3.23Š| ||
| 164 | S | 27.3 | Very low | 29.6 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 55.1 | 105.1 | 151.8 | 60.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 165 | Q | 30.1 | Very low | 29.1 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | -166.3 | 122.5 | 113.8 | -113.1 | 171.2 | -8.5 | 0 | 0 | 109.9 | T167 | Q165-T167 PolarHBondContact O-N 3.3Å; Q165-T167 PolarHBondContact O-OG1 3.15Å | |||
| 166 | A | 25.6 | Very low | 28.8 | Very low | 105 Ų | 105 | 123 Ų | 123 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -67.3 | 96.5 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | S168 | A166-S168 PolarHBondContact O-N 3.49Š| ||
| 167 | T | 25.8 | Very low | 28.6 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -73 | 97.2 | 175.8 | -21.3 | 0 | 0 | 0 | 0 | 108.5 | Q165 C169 | Q165-T167 PolarHBondContact O-N 3.3Å; Q165-T167 PolarHBondContact O-OG1 3.15Å; T167-C169 PolarHBondContact O-N 2.72Å | ||
| 168 | S | 24.6 | Very low | 28.1 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -75.8 | 108.9 | 173.3 | 59.9 | 0 | 0 | 0 | 0 | 110 | A166 S170 | A166-S168 PolarHBondContact O-N 3.49Å; S168-S170 PolarHBondContact O-N 2.71Å | ||
| 169 | C | 23.9 | Very low | 27.4 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 57% | 0.568 | 73% | 0.731 | S | S | * | * | trans | -65.3 | 101 | 163.9 | -102.3 | 0 | 0 | 0 | 0 | 108.1 | C148 T167 V171 | C148-C169 WeakPolarHBondContact CB-SG 3.5Å; C148-C169 WeakPolarHBondContact SG-CB 3.46Å; C148-C169 CovalentContact SG-SG 2.09Å; C148-C169 PolarHBondContact SG-SG 2.94Å; T167-C169 PolarHBondContact O-N 2.72Å; C169-V171 PolarHBondContact O-N 3.29Å | ||
| 170 | S | 23.5 | Very low | 27 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | -81.8 | 103 | 170.1 | 167.4 | 0 | 0 | 0 | 0 | 108.9 | S168 V172 | S168-S170 PolarHBondContact O-N 2.71Å; S170-V172 PolarHBondContact O-N 2.99Å | ||
| 171 | V | 25.3 | Very low | 26.7 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 53% | 0.533 | 71% | 0.713 | S | S | . | * | trans | -87.5 | 100.7 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 109 | C169 L173 | C169-V171 PolarHBondContact O-N 3.29Å; V171-L173 PolarHBondContact O-N 3.32Å | ||
| 172 | V | 24 | Very low | 26.3 | Very low | 109 Ų | 109 | 130 Ų | 130 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | trans | -76.6 | 104.9 | 169 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | S170 T174 | S170-V172 PolarHBondContact O-N 2.99Å; V172-T174 PolarHBondContact O-N 3.44Å | ||
| 173 | L | 24.1 | Very low | 26.3 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | trans | -73.6 | 89.9 | 174.2 | -83.6 | 155 | 0 | 0 | 0 | 110.2 | V171 | V171-L173 PolarHBondContact O-N 3.32Š| ||
| 174 | T | 23.7 | Very low | 25.8 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | trans | -122 | 106.9 | 169.8 | 18.2 | 0 | 0 | 0 | 0 | 110.2 | V172 | V172-T174 PolarHBondContact O-N 3.44Š| ||
| 175 | K | 24.7 | Very low | 25.9 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | 46.8 | 110.4 | 153 | -121 | -177.9 | -173.2 | 175.8 | 0 | 116.8 | F10 | F10-K175 HydrophobicContact CZ-CD 4.09Š| ||
| 176 | F | 26.3 | Very low | 25.9 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 47% | 0.465 | 68% | 0.677 | S | S | . | * | trans | -120.4 | 140.6 | 169 | -72.3 | -101.1 | 0 | 0 | 0 | 115.3 | F140 L144 | F140-F176 HydrophobicContact CD1-CB 4.46Å; F140-F176 HydrophobicContact CD1-CD1 4.1Å; F140-F176 AromaticContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CD2 3.85Å; F140-F176 HydrophobicContact CD1-CE1 4.15Å; F140-F176 AromaticContact CD1-CE2 3.9Å; F140-F176 HydrophobicContact CD1-CE2 3.9Å; F140-F176 AromaticContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CG 3.96Å; F140-F176 HydrophobicContact CD1-CZ 4.06Å; F140-F176 HydrophobicContact CD2-CD1 4.25Å; F140-F176 HydrophobicContact CD2-CE1 4.43Å; F140-F176 HydrophobicContact CE1-CB 3.15Å; F140-F176 AromaticContact CE1-CD1 3.36Å; F140-F176 HydrophobicContact CE1-CD1 3.36Å; F140-F176 AromaticContact CE1-CD2 3.05Å; F140-F176 HydrophobicContact CE1-CD2 3.05Å; F140-F176 AromaticContact CE1-CE1 3.85Å; F140-F176 HydrophobicContact CE1-CE1 3.85Å; F140-F176 AromaticContact CE1-CE2 3.59Å; F140-F176 HydrophobicContact CE1-CE2 3.59Å; F140-F176 AromaticContact CE1-CG 2.94Å; F140-F176 HydrophobicContact CE1-CG 2.94Å; F140-F176 AromaticContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE1-CZ 3.95Å; F140-F176 HydrophobicContact CE2-CB 3.82Å; F140-F176 AromaticContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CD1 3.44Å; F140-F176 VanDerWaalsContact CE2-CD1 3.44Å; F140-F176 HydrophobicContact CE2-CE1 4.02Å; F140-F176 AromaticContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CE2-CG 3.81Å; F140-F176 HydrophobicContact CZ-CB 2.81Å; F140-F176 AromaticContact CZ-CD1 3.14Å; F140-F176 HydrophobicContact CZ-CD1 3.14Å; F140-F176 AromaticContact CZ-CD2 3.69Å; F140-F176 HydrophobicContact CZ-CD2 3.69Å; F140-F176 AromaticContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE1 3.95Å; F140-F176 HydrophobicContact CZ-CE2 4.39Å; F140-F176 AromaticContact CZ-CG 2.99Å; F140-F176 HydrophobicContact CZ-CG 2.99Å; L144-F176 HydrophobicContact CD1-CE2 4.01Å; L144-F176 HydrophobicContact CD1-CZ 3.79Å; L144-F176 HydrophobicContact CD2-CZ 4.12Å; L144-F176 HydrophobicContact CG-CZ 4.12Å | ||
| 177 | N | 25.5 | Very low | 26.1 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | trans | -90.1 | 114.8 | 167.9 | -80.3 | -34.7 | 0 | 0 | 0 | 110.7 | ||||
| 178 | R | 25.3 | Very low | 26.3 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | trans | 41.6 | 126.2 | 130.9 | -83.7 | -173.7 | 176.3 | 176.7 | 2.2 | 123.8 | ||||
| 179 | L | 24.4 | Very low | 26.5 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | trans | 85.5 | 163.7 | 132.6 | -63.1 | 161.6 | 0 | 0 | 0 | 119.4 | ||||
| 180 | P | 25.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | -132.7 | 148.1 | -58.4 | 37.2 | -20.4 | 0 | 0 | 0 | 112.7 | E139 | E139-P180 WeakPolarHBondContact OE2-CA 3.38Š| |||
| 181 | S | 26.7 | Very low | 27.1 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 46% | 0.462 | 62% | 0.623 | S | S | . | * | trans | -156.9 | 123.3 | -178.3 | -174.5 | 0 | 0 | 0 | 0 | 115.9 | E139 N183 | E139-S181 VanDerWaalsContact OE1-C 3.3Å; E139-S181 VanDerWaalsContact OE1-CA 3.28Å; E139-S181 WeakPolarHBondContact OE1-CA 3.36Å; E139-S181 PolarHBondContact OE1-N 3.38Å; E139-S181 PolarHBondContact OE2-N 3.38Å; S181-N183 PolarHBondContact O-N 3.44Å | ||
| 182 | R | 27 | Very low | 27.3 | Very low | 241 Ų | 241 | 122.3 Ų | 122.3 | 91% | 0.909 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 21.3 | -174.9 | -78.9 | 179 | 165.4 | 178.4 | -6.1 | 117.2 | ||
| 183 | N | 32.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 8.2 | 179 | -73 | -1 | 0 | 0 | 0 | 114.2 | S181 E185 | S181-N183 PolarHBondContact O-N 3.44Å; N183-E185 PolarHBondContact O-N 3.19Å |
| 184 | C | 26.3 | Very low | 27.9 | Very low | 40 Ų | 40 | 124.4 Ų | 124.4 | 27% | 0.27 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -21.6 | 172 | -90.6 | 0 | 0 | 0 | 0 | 114.2 | C138 Q186 | C138-C184 VanDerWaalsContact CB-SG 3.52Å; C184-Q186 PolarHBondContact O-N 3.48Å |
| 185 | E | 28.8 | Very low | 28.3 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 77% | 0.771 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75 | -22 | -171.3 | -72.8 | -177.8 | 152.8 | 0 | 0 | 114.4 | N183 S189 | N183-E185 PolarHBondContact O-N 3.19Å; E185-S189 PolarHBondContact O-OG 3.47Å |
| 186 | Q | 29.9 | Very low | 28.7 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 76% | 0.762 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.2 | -31.2 | 179.5 | -111.1 | 174 | -8.6 | 0 | 0 | 113.4 | C184 | C184-Q186 PolarHBondContact O-N 3.48Å |
| 187 | T | 30.7 | Very low | 28.8 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -84.9 | -21.3 | -176.6 | -44 | 0 | 0 | 0 | 0 | 112.6 | S189 | T187-S189 VanDerWaalsContact C-N 3.34Å |
| 188 | F | 29.1 | Very low | 29 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 39% | 0.39 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.4 | -25.8 | 171.1 | -117.7 | -101.3 | 0 | 0 | 0 | 113.2 | C138 N190 I191 L192 | C138-F188 HydrophobicContact CB-CE2 4.4Å; C138-F188 WeakPolarHBondContact SG-CE2 3.33Å; F188-N190 PolarHBondContact O-N 3.5Å; F188-I191 PolarHBondContact O-N 3.11Å; F188-L192 HydrophobicContact CD1-CD1 4.34Å; F188-L192 PolarHBondContact O-N 3.27Å |
| 189 | S | 29 | Very low | 29.2 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.9 | -26.8 | -176.1 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | E185 T187 Q193 | E185-S189 PolarHBondContact O-OG 3.47Å; T187-S189 VanDerWaalsContact C-N 3.34Å; S189-Q193 PolarHBondContact O-N 3.25Å |
| 190 | N | 30.1 | Very low | 29.3 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87.5 | -18.3 | 175.7 | -73.3 | -11.2 | 0 | 0 | 0 | 113.6 | F188 | F188-N190 PolarHBondContact O-N 3.5Å |
| 191 | I | 29.6 | Very low | 29.5 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 59% | 0.59 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.7 | -25.1 | 174.8 | -63.5 | 173.4 | 0 | 0 | 0 | 110.6 | F188 | F188-I191 PolarHBondContact O-N 3.11Å |
| 192 | L | 29.9 | Very low | 29.7 | Very low | 97 Ų | 97 | 128 Ų | 128 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.9 | -26.1 | 170.2 | -85.3 | 154.2 | 0 | 0 | 0 | 113.5 | F188 F194 K195 D196 | F188-L192 HydrophobicContact CD1-CD1 4.34Å; F188-L192 PolarHBondContact O-N 3.27Å; L192-F194 PolarHBondContact O-N 3.36Å; L192-K195 PolarHBondContact O-N 3.28Å; L192-D196 PolarHBondContact O-N 3.46Å |
| 193 | Q | 29.6 | Very low | 29.7 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -19.4 | 174.8 | -79.1 | -176.4 | -2.8 | 0 | 0 | 114.1 | S189 K195 | S189-Q193 PolarHBondContact O-N 3.25Å; Q193-K195 VanDerWaalsContact C-N 3.27Å |
| 194 | F | 30.4 | Very low | 29.4 | Very low | 177 Ų | 177 | 126.4 Ų | 126.4 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -3.2 | 169.5 | -90.9 | -84.1 | 0 | 0 | 0 | 113.9 | L192 | L192-F194 PolarHBondContact O-N 3.36Š|
| 195 | K | 32.7 | Very low | 29.5 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -12.8 | 177.6 | -149.5 | 172.4 | -178.5 | -178.7 | 0 | 113.9 | L192 Q193 | L192-K195 PolarHBondContact O-N 3.28Å; Q193-K195 VanDerWaalsContact C-N 3.27Å |
| 196 | D | 32.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -102.6 | 1.2 | 175.8 | -87.4 | -27.5 | 0 | 0 | 0 | 114.5 | L192 | L192-D196 PolarHBondContact O-N 3.46Š|
| 197 | Q | 28.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -97.9 | -1.5 | 174.3 | -82.6 | -172.3 | -1.4 | 0 | 0 | 115.2 | ||
| 198 | T | 31 | Very low | 29.3 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -103.4 | 6 | 171.9 | 34.6 | 0 | 0 | 0 | 0 | 113.7 | D200 | T198-D200 VanDerWaalsContact C-N 3.33Å; T198-D200 PolarHBondContact O-N 3.49Å |
| 199 | V | 28.7 | Very low | 29.3 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.655 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -96.6 | 56.5 | 169.1 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 200 | D | 26.4 | Very low | 29.1 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 175.8 | 66.1 | 155.5 | -106.4 | -23.7 | 0 | 0 | 0 | 109 | T198 | T198-D200 VanDerWaalsContact C-N 3.33Å; T198-D200 PolarHBondContact O-N 3.49Å |
| 201 | Q | 30.1 | Very low | 28.8 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -155.8 | 109.9 | 160.7 | -113.3 | 160.8 | 61.9 | 0 | 0 | 109.5 | ||
| 202 | S | 32.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 58.5 | 92.7 | 151 | 38.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 203 | R | 25.7 | Very low | 28.2 | Very low | 249 Ų | 249 | 143.8 Ų | 143.8 | 94% | 0.94 | 75% | 0.748 | S | S | * | * | 26.9 | 114.7 | 88.7 | -89 | -176.2 | 177 | 172.1 | 0.4 | 112.2 | |||||
| 204 | A | 26.5 | Very low | 28 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | trans | 92.9 | 139.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 205 | Y | 29.5 | Very low | 27.9 | Very low | 214 Ų | 214 | 141.6 Ų | 141.6 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 93.9 | 77.9 | 174.6 | -57.6 | -77.7 | 0 | 0 | 0 | 117.5 | ||||
| 206 | S | 27.5 | Very low | 27.5 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | 23.7 | 116.6 | 121.3 | 53 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 207 | S | 27.9 | Very low | 27.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 71 | 110.2 | 151.7 | -50.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 208 | P | 28.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -70.3 | 136.9 | 168 | 29.7 | -29.8 | 0 | 0 | 0 | 109.5 | V210 | P208-V210 PolarHBondContact O-N 3.04Š| ||
| 209 | P | 29.2 | Very low | 27 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 131.6 | 179.4 | 27.2 | -31.7 | 0 | 0 | 0 | 110.3 | L211 | P209-L211 PolarHBondContact O-N 3.45Š| ||
| 210 | V | 24.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -57.3 | 108.9 | 168.4 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | P208 R212 | P208-V210 PolarHBondContact O-N 3.04Å; V210-R212 VanDerWaalsContact C-N 3.33Å; V210-R212 PolarHBondContact O-N 3.45Å | ||
| 211 | L | 23.8 | Very low | 27.2 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | -71.6 | 90.8 | 169.9 | -114.2 | 139.4 | 0 | 0 | 0 | 108.3 | P209 I213 | P209-L211 PolarHBondContact O-N 3.45Å; L211-I213 HydrophobicContact CD2-CG1 4.37Å; L211-I213 PolarHBondContact O-N 3.27Å | ||
| 212 | R | 22 | Very low | 27.1 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | -79.2 | 91.9 | 175.8 | -158.9 | 179.8 | -163 | 179.6 | 4.1 | 108.5 | V210 T214 | V210-R212 VanDerWaalsContact C-N 3.33Å; V210-R212 PolarHBondContact O-N 3.45Å; R212-T214 PolarHBondContact O-N 3.28Å | ||
| 213 | I | 25.7 | Very low | 27.2 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | trans | -83.3 | 95 | 169.5 | -56.8 | 176.9 | 0 | 0 | 0 | 107.3 | L211 T215 | L211-I213 HydrophobicContact CD2-CG1 4.37Å; L211-I213 PolarHBondContact O-N 3.27Å; I213-T215 HydrophobicContact CG2-CG2 4.22Å; I213-T215 PolarHBondContact O-N 3.47Å; I213-T215 VanDerWaalsContact O-N 3.16Å | ||
| 214 | T | 24.9 | Very low | 27.5 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 96.7 | 166.8 | 22.9 | 0 | 0 | 0 | 0 | 109.4 | R212 G216 | R212-T214 PolarHBondContact O-N 3.28Å; T214-G216 VanDerWaalsContact C-N 3.32Å; T214-G216 PolarHBondContact O-N 3.31Å | ||
| 215 | T | 28.8 | Very low | 27.6 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -80.9 | 82.3 | 162.5 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | I213 | I213-T215 HydrophobicContact CG2-CG2 4.22Å; I213-T215 PolarHBondContact O-N 3.47Å; I213-T215 VanDerWaalsContact O-N 3.16Å | ||
| 216 | G | 23 | Very low | 27.6 | Very low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -84 | 126.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | T214 | T214-G216 VanDerWaalsContact C-N 3.32Å; T214-G216 PolarHBondContact O-N 3.31Å | ||
| 217 | I | 27.4 | Very low | 27.9 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 163.9 | 115.2 | 154.5 | -83.8 | 153.8 | 0 | 0 | 0 | 107.2 | ||||
| 218 | L | 28.8 | Very low | 27.9 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | 65.6 | 105.2 | 172.3 | -80.2 | 80.6 | 0 | 0 | 0 | 116 | ||||
| 219 | G | 25.8 | Very low | 28.1 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | 94.9 | 48.3 | 35.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 220 | L | 27.3 | Very low | 28.3 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -145.5 | 118.1 | 166 | -76.4 | 173.1 | 0 | 0 | 0 | 109.9 | F222 | L220-F222 PolarHBondContact O-N 2.98Š| ||
| 221 | P | 31.1 | Very low | 28.6 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76 | 121.8 | 175.9 | 29.3 | -30.4 | 0 | 0 | 0 | 110.3 | ||
| 222 | F | 28.8 | Very low | 29.1 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 121.2 | 161.8 | -74.8 | -85.2 | 0 | 0 | 0 | 108 | L220 S224 | L220-F222 PolarHBondContact O-N 2.98Å; F222-S224 PolarHBondContact O-N 3.34Å |
| 223 | P | 34 | Very low | 29.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 123 | -177.3 | 25.7 | -31 | 0 | 0 | 0 | 110.4 | ||
| 224 | S | 31.4 | Very low | 29.7 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129 | 171.5 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | F222 | F222-S224 PolarHBondContact O-N 3.34Š|
| 225 | S | 29 | Very low | 29.8 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -24.9 | 129.2 | 160.7 | -38.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 226 | H | 30.9 | Very low | 29.8 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | 162.3 | 151.7 | 119 | -86.9 | -64.7 | 0 | 0 | 0 | 110.5 | |||||
| 227 | A | 32.7 | Very low | 30 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | 89.9 | 108.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 228 | D | 29 | Very low | 30.1 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | trans | -8.9 | 139.3 | 140.7 | -77.2 | -51.9 | 0 | 0 | 0 | 116.5 | ||||
| 229 | G | 31.4 | Very low | 30.1 | Very low | 66 Ų | 66 | 139.2 Ų | 139.2 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | 121.1 | 109.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 230 | S | 34.4 | Very low | 30.2 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 56 | 112.2 | 137.7 | 63.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 231 | N | 29.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | 60.6 | 136.3 | 123.9 | -68.1 | -2 | 0 | 0 | 0 | 120.7 | |||||
| 232 | E | 34.9 | Very low | 30.2 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 88.8 | 105.7 | 152.2 | -69.7 | 169.4 | 146 | 0 | 0 | 117.6 | ||||
| 233 | H | 31.5 | Very low | 30.1 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | 11 | 115.5 | 132.6 | -68.3 | -87.8 | 0 | 0 | 0 | 115.8 | ||||
| 234 | D | 28 | Very low | 29.9 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | 172.7 | 132.2 | 101.3 | -111.8 | -43.9 | 0 | 0 | 0 | 113.4 | |||||
| 235 | S | 28.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | 48.2 | 86.2 | 136.8 | -57.1 | 0 | 0 | 0 | 0 | 120 | K237 | S235-K237 PolarHBondContact O-N 3.07Š| ||
| 236 | V | 28.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | trans | -90 | 103.8 | 165 | -180 | 0 | 0 | 0 | 0 | 111 | L238 | V236-L238 HydrophobicContact CG1-CD1 3.73Å; V236-L238 HydrophobicContact CG1-CG 3.67Å | ||
| 237 | K | 27.1 | Very low | 30.2 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -76 | 120.1 | 156.5 | -80.4 | 176.3 | 175.6 | 174.6 | 0 | 108.2 | S235 | S235-K237 PolarHBondContact O-N 3.07Š| ||
| 238 | L | 29.9 | Very low | 30 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -113.2 | 108.8 | 167.9 | -84.8 | 160.2 | 0 | 0 | 0 | 109.9 | V236 | V236-L238 HydrophobicContact CG1-CD1 3.73Å; V236-L238 HydrophobicContact CG1-CG 3.67Å | ||
| 239 | Q | 27.3 | Very low | 30.1 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -82.5 | 123.3 | 179.8 | -155 | 168.9 | -0.7 | 0 | 0 | 108.2 | ||||
| 240 | A | 29.3 | Very low | 30 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | trans | -75.1 | 126.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 241 | G | 29.4 | Very low | 29.7 | Very low | 78 Ų | 78 | 152.5 Ų | 152.5 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | -131.4 | 119.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 242 | N | 27.7 | Very low | 29.7 | Very low | 159 Ų | 159 | 152.9 Ų | 152.9 | 85% | 0.85 | 85% | 0.847 | S | S | * | * | trans | -65.7 | 148.1 | -174.3 | -69.8 | -20 | 0 | 0 | 0 | 114.5 | ||||
| 243 | L | 27.8 | Very low | 29.3 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 87% | 0.869 | 85% | 0.849 | S | S | * | * | trans | -175.8 | 144.7 | 139 | -95.4 | 137.4 | 0 | 0 | 0 | 106.7 | ||||
| 244 | P | 30.4 | Very low | 29.1 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | cis | -147 | 167.7 | 47.7 | 36.9 | -15.3 | 0 | 0 | 0 | 116.7 | ||||
| 245 | I | 35.9 | Very low | 29.2 | Very low | 235 Ų | 235 | 150.4 Ų | 150.4 | 100% | 1.205 | 86% | 0.864 | S | S | * | * | trans | -100.4 | 0 | 141 | -64 | 174.3 | 0 | 0 | 0 | 105.8 |
Retrieved 245 of 245 residues in 47.6 ms
(Link to these results)