| 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 | 35.6 | Very low | 39.2 | Very low | 251 Ų | 251 | 130.3 Ų | 130.3 | 100% | 1.236 | 68% | 0.682 | S | S | * | * | 0 | 96 | 0 | -76.2 | 153.7 | 96.3 | 0 | 0 | 107.4 | |||||
| 2 | S | 31.6 | Very low | 39.2 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -132.6 | 116.9 | -177 | 51.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | N | 38.7 | Very low | 39.4 | Very low | 106 Ų | 106 | 133 Ų | 133 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | -68.3 | 122 | -170.6 | -165.9 | -13.3 | 0 | 0 | 0 | 111.1 | D5 L6 | N3-D5 PolarHBondContact O-N 3.17Å; N3-L6 PolarHBondContact O-N 2.75Å | ||
| 4 | P | 41.1 | Very low | 39.3 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 63% | 0.63 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.3 | -17.7 | -176.5 | 25.3 | -33.3 | 0 | 0 | 0 | 114.4 | ||
| 5 | D | 40 | Very low | 39.5 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 55% | 0.545 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -73.7 | -27.1 | 176.6 | -67.9 | -39.7 | 0 | 0 | 0 | 113.2 | N3 K8 L9 | N3-D5 PolarHBondContact O-N 3.17Å; D5-K8 PolarHBondContact O-N 2.79Å; D5-L9 PolarHBondContact O-N 3.19Å |
| 6 | L | 39.7 | Very low | 39.6 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.3 | -35.5 | 179.8 | -148.5 | 85.7 | 0 | 0 | 0 | 111.7 | N3 L9 E10 | N3-L6 PolarHBondContact O-N 2.75Å; L6-L9 PolarHBondContact O-N 3.46Å; L6-E10 PolarHBondContact O-N 2.99Å; L6-E10 VanDerWaalsContact O-N 3.15Å |
| 7 | K | 40.3 | Very low | 39.6 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.9 | -29.4 | 178.2 | -86.4 | -174.5 | 173.2 | -176.9 | 0 | 113.2 | V11 | K7-V11 WeakPolarHBondContact O-CG2 3.45Å; K7-V11 PolarHBondContact O-N 3.33Å |
| 8 | K | 39.3 | Very low | 39.4 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.6 | -35.7 | 173.3 | -78.1 | -174.2 | 178 | 176 | 0 | 111.7 | D5 F12 | D5-K8 PolarHBondContact O-N 2.79Å; K8-F12 PolarHBondContact O-N 3.41Å |
| 9 | L | 40.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.6 | -37 | 174.1 | -107.4 | 134.7 | 0 | 0 | 0 | 112.5 | D5 L6 F12 Y13 | D5-L9 PolarHBondContact O-N 3.19Å; L6-L9 PolarHBondContact O-N 3.46Å; L9-F12 PolarHBondContact O-N 3.03Å; L9-Y13 WeakPolarHBondContact O-CB 3.43Å; L9-Y13 PolarHBondContact O-N 3.49Å |
| 10 | E | 41.4 | Very low | 39.7 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.9 | -33 | -179.9 | -159.2 | 164 | -164.4 | 0 | 0 | 113 | L6 N14 | L6-E10 PolarHBondContact O-N 2.99Å; L6-E10 VanDerWaalsContact O-N 3.15Å; E10-N14 WeakPolarHBondContact O-CB 3.11Å; E10-N14 PolarHBondContact O-N 2.84Å; E10-N14 VanDerWaalsContact O-N 3.07Å; E10-N14 PolarHBondContact O-ND2 3.16Å; E10-N14 VanDerWaalsContact O-ND2 3.1Å |
| 11 | V | 43.8 | Very low | 39.8 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.8 | -37.6 | 171.6 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | K7 L15 | K7-V11 WeakPolarHBondContact O-CG2 3.45Å; K7-V11 PolarHBondContact O-N 3.33Å; V11-L15 HydrophobicContact CG1-CD1 4.33Å; V11-L15 PolarHBondContact O-N 2.03Å |
| 12 | F | 39.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 115 Ų | 115 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.8 | -36.3 | 177.4 | -145.6 | -93.5 | 0 | 0 | 0 | 112.2 | K8 L9 L15 L16 | K8-F12 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 3.03Å; F12-L15 PolarHBondContact O-N 2.95Å; F12-L16 HydrophobicContact CD1-CD1 3.87Å; F12-L16 HydrophobicContact CE1-CD1 4.22Å; F12-L16 PolarHBondContact O-N 3.14Å; F12-L16 VanDerWaalsContact O-N 3.12Å |
| 13 | Y | 40.8 | Very low | 40.4 | Very low | 149 Ų | 149 | 114.9 Ų | 114.9 | 58% | 0.584 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.7 | -38.9 | 175.5 | -165 | -96.4 | 0 | 0 | 0 | 112.2 | L9 L16 N17 | L9-Y13 WeakPolarHBondContact O-CB 3.43Å; L9-Y13 PolarHBondContact O-N 3.49Å; Y13-L16 PolarHBondContact O-N 3.39Å; Y13-N17 PolarHBondContact O-N 3.47Å; Y13-N17 VanDerWaalsContact O-N 3.15Å |
| 14 | N | 38.4 | Very low | 40.8 | Very low | 96 Ų | 96 | 119.7 Ų | 119.7 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73 | -30.5 | 176.7 | -73.4 | -32.3 | 0 | 0 | 0 | 113.1 | E10 L16 S18 | E10-N14 WeakPolarHBondContact O-CB 3.11Å; E10-N14 PolarHBondContact O-N 2.84Å; E10-N14 VanDerWaalsContact O-N 3.07Å; E10-N14 PolarHBondContact O-ND2 3.16Å; E10-N14 VanDerWaalsContact O-ND2 3.1Å; N14-L16 VanDerWaalsContact C-N 3.35Å; N14-S18 PolarHBondContact O-N 3.44Å |
| 15 | L | 42.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.8 | -31.7 | 170.4 | -90.3 | 154.3 | 0 | 0 | 0 | 112.7 | V11 F12 | V11-L15 HydrophobicContact CG1-CD1 4.33Å; V11-L15 PolarHBondContact O-N 2.03Å; F12-L15 PolarHBondContact O-N 2.95Å |
| 16 | L | 40.1 | Very low | 40.8 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.6 | -35.6 | 176.3 | -85.5 | 156.8 | 0 | 0 | 0 | 113 | F12 Y13 N14 C19 | F12-L16 HydrophobicContact CD1-CD1 3.87Å; F12-L16 HydrophobicContact CE1-CD1 4.22Å; F12-L16 PolarHBondContact O-N 3.14Å; F12-L16 VanDerWaalsContact O-N 3.12Å; Y13-L16 PolarHBondContact O-N 3.39Å; N14-L16 VanDerWaalsContact C-N 3.35Å; L16-C19 PolarHBondContact O-N 3.06Å |
| 17 | N | 40 | Very low | 40.9 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 47% | 0.471 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -78.7 | -15.2 | -179.9 | -87.2 | -13.4 | 0 | 0 | 0 | 114.8 | Y13 C19 S20 | Y13-N17 PolarHBondContact O-N 3.47Å; Y13-N17 VanDerWaalsContact O-N 3.15Å; N17-C19 PolarHBondContact O-N 3.35Å; N17-S20 PolarHBondContact O-N 3.14Å; N17-S20 PolarHBondContact O-OG 3.21Å |
| 18 | S | 36.8 | Very low | 41 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -4.2 | 170.5 | -76.6 | 0 | 0 | 0 | 0 | 113.8 | N14 | N14-S18 PolarHBondContact O-N 3.44Š|
| 19 | C | 41.2 | Very low | 41.2 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 62% | 0.622 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 31 | 173.9 | -127.7 | 0 | 0 | 0 | 0 | 113 | L16 N17 | L16-C19 PolarHBondContact O-N 3.06Å; N17-C19 PolarHBondContact O-N 3.35Å |
| 20 | S | 42.1 | Very low | 41 | Very low | 90 Ų | 90 | 120.1 Ų | 120.1 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -103.2 | 5.2 | -178.2 | 59.2 | 0 | 0 | 0 | 0 | 115.3 | N17 | N17-S20 PolarHBondContact O-N 3.14Å; N17-S20 PolarHBondContact O-OG 3.21Å |
| 21 | L | 42.6 | Very low | 40.8 | Very low | 171 Ų | 171 | 119 Ų | 119 | 90% | 0.895 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -138.9 | 29.6 | -171.7 | -102.4 | 139.7 | 0 | 0 | 0 | 115.8 | ||
| 22 | G | 37.5 | Very low | 40.5 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | trans | -136.1 | 128.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F24 | G22-F24 PolarHBondContact O-N 3.07Š| ||
| 23 | A | 42.4 | Very low | 40.3 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 89% | 0.893 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -69.7 | 32.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 24 | F | 46.6 | Very low | 39.8 | Very low | 207 Ų | 207 | 121.2 Ų | 121.2 | 91% | 0.908 | 69% | 0.693 | S | S | * | * | trans | -137.9 | 66.3 | -179.4 | -95.7 | -86.5 | 0 | 0 | 0 | 111.2 | G22 | G22-F24 PolarHBondContact O-N 3.07Š| ||
| 25 | C | 41.4 | Very low | 39.5 | Very low | 93 Ų | 93 | 121.2 Ų | 121.2 | 63% | 0.628 | 70% | 0.701 | S | S | * | * | trans | -116.2 | 119.6 | 162.2 | -80.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 26 | N | 39.3 | Very low | 39.2 | Very low | 140 Ų | 140 | 120.6 Ų | 120.6 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | trans | -76.4 | 136.6 | -175.7 | -153.2 | -6 | 0 | 0 | 0 | 110.3 | S28 | N26-S28 PolarHBondContact O-N 3.2Š| ||
| 27 | N | 42.7 | Very low | 39 | Very low | 146 Ų | 146 | 122 Ų | 122 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -67.2 | 7.6 | -172.1 | -76.6 | -24.5 | 0 | 0 | 0 | 115.5 | L29 | N27-L29 VanDerWaalsContact C-N 3.29Å; N27-L29 PolarHBondContact O-N 3.06Å |
| 28 | S | 41.2 | Very low | 38.9 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -72.7 | -16.2 | 177.9 | 42.1 | 0 | 0 | 0 | 0 | 114 | N26 | N26-S28 PolarHBondContact O-N 3.2Š|
| 29 | L | 43.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 126.9 Ų | 126.9 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -77.8 | -27.1 | 179.3 | -150.3 | 95.6 | 0 | 0 | 0 | 113.2 | N27 S31 F32 | N27-L29 VanDerWaalsContact C-N 3.29Å; N27-L29 PolarHBondContact O-N 3.06Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.29Å; L29-F32 PolarHBondContact O-N 3.39Å |
| 30 | L | 37.4 | Very low | 38.5 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -73.2 | -24.1 | -176.6 | -147.4 | 93.5 | 0 | 0 | 0 | 112.5 | F32 | L30-F32 VanDerWaalsContact C-N 3.26Å; L30-F32 PolarHBondContact O-N 2.9Å |
| 31 | S | 36.8 | Very low | 38.1 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -71.4 | -20.1 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 113 | L29 H33 | L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.29Å; S31-H33 VanDerWaalsContact C-N 3.34Å |
| 32 | F | 37.1 | Very low | 37.8 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -78.4 | -20.7 | -177.1 | -134.9 | -83.5 | 0 | 0 | 0 | 112.6 | L29 L30 | L29-F32 PolarHBondContact O-N 3.39Å; L30-F32 VanDerWaalsContact C-N 3.26Å; L30-F32 PolarHBondContact O-N 2.9Å |
| 33 | H | 34.6 | Very low | 38.2 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -86.3 | -18.9 | -176.3 | -142.8 | -58 | 0 | 0 | 0 | 113.4 | S31 | S31-H33 VanDerWaalsContact C-N 3.34Š|
| 34 | N | 30.6 | Very low | 38.4 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -11.7 | -176.2 | -143.7 | 18.7 | 0 | 0 | 0 | 113.6 | ||
| 35 | S | 32.8 | Very low | 39.1 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.3 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 36 | N | 34.9 | Very low | 40.3 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 60% | 0.599 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.8 | 0.6 | -178.1 | -77 | -12.3 | 0 | 0 | 0 | 114.4 | ||
| 37 | N | 36.7 | Very low | 41.9 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -104.8 | -2.6 | -174.1 | -85.4 | 4.5 | 0 | 0 | 0 | 116.2 | ||
| 38 | E | 38.5 | Very low | 43.6 | Very low | 183 Ų | 183 | 117.2 Ų | 117.2 | 86% | 0.855 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -141.3 | 82 | 175.4 | -75 | -167.7 | 146.3 | 0 | 0 | 112.5 | ||
| 39 | S | 34 | Very low | 45.2 | Very low | 113 Ų | 113 | 114.6 Ų | 114.6 | 79% | 0.79 | 65% | 0.65 | S | S | * | * | trans | 175.3 | 94.1 | 139.2 | 37.6 | 0 | 0 | 0 | 0 | 109.7 | M41 | S39-M41 PolarHBondContact O-N 2.85Š| ||
| 40 | G | 36 | Very low | 46.8 | Very low | 92 Ų | 92 | 109.4 Ų | 109.4 | 95% | 0.948 | 62% | 0.62 | S | S | * | * | trans | -67.4 | 94.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 41 | M | 32.1 | Very low | 49 | Very low | 168 Ų | 168 | 106.4 Ų | 106.4 | 83% | 0.828 | 61% | 0.607 | S | S | * | * | trans | -116.3 | 101.8 | 157.4 | -166.7 | 82.7 | 125.5 | 0 | 0 | 105.3 | S39 S43 | S39-M41 PolarHBondContact O-N 2.85Å; M41-S43 PolarHBondContact O-N 3.18Å | ||
| 42 | E | 37.5 | Very low | 51.2 | Low | 193 Ų | 193 | 108 Ų | 108 | 90% | 0.902 | 60% | 0.603 | S | S | * | * | trans | -50.7 | 111.8 | 172.4 | -87.6 | 177.1 | 132.6 | 0 | 0 | 108.5 | ||||
| 43 | S | 45.6 | Very low | 53.3 | Low | 99 Ų | 99 | 101 Ų | 101 | 69% | 0.692 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 131.6 | 171.1 | -54.9 | 0 | 0 | 0 | 0 | 106.8 | M41 D45 | M41-S43 PolarHBondContact O-N 3.18Å; S43-D45 PolarHBondContact O-N 3.23Å |
| 44 | P | 46 | Very low | 55.6 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 128.5 | 179.4 | 22.5 | -30.7 | 0 | 0 | 0 | 108.6 | D46 L49 | P44-D46 PolarHBondContact O-N 2.91Å; P44-L49 HydrophobicContact CG-CD1 4.19Å |
| 45 | D | 61.8 | Low | 58.3 | Low | 111 Ų | 111 | 91.1 Ų | 91.1 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 127.7 | 174.5 | 173.2 | 44.4 | 0 | 0 | 0 | 109.5 | S43 G47 T48 L49 | S43-D45 PolarHBondContact O-N 3.23Å; D45-G47 PolarHBondContact O-N 3.22Å; D45-T48 WeakPolarHBondContact O-CA 3.38Å; D45-T48 WeakPolarHBondContact O-CB 3.43Å; D45-T48 PolarHBondContact O-N 3.48Å; D45-L49 PolarHBondContact O-N 3.37Å |
| 46 | D | 67.5 | Low | 60.8 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55 | -31.8 | -171.5 | -174.2 | 43 | 0 | 0 | 0 | 111.1 | P44 R50 | P44-D46 PolarHBondContact O-N 2.91Å; D46-R50 VanDerWaalsContact CG-NH1 3.28Å; D46-R50 VanDerWaalsContact CG-NH2 3.33Å; D46-R50 WeakPolarHBondContact O-CG 3.26Å; D46-R50 PolarHBondContact O-N 3.05Å; D46-R50 PolarHBondContact O-NE 2.94Å; D46-R50 PolarHBondContact O-NH2 2.95Å; D46-R50 IonicContact OD1-NH1 3.2Å; D46-R50 IonicContact OD2-CZ 2.93Å; D46-R50 IonicContact OD2-NH1 3.76Å; D46-R50 PolarHBondContact OD2-NH1 3.45Å; D46-R50 IonicContact OD2-NH2 3.46Å; D46-R50 PolarHBondContact OD2-NH2 3.49Å |
| 47 | G | 71.9 | Confident | 63.2 | Low | 23 Ų | 23 | 83.1 Ų | 83.1 | 24% | 0.237 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | D45 L49 R50 V51 | D45-G47 PolarHBondContact O-N 3.22Å; G47-L49 VanDerWaalsContact C-N 3.3Å; G47-L49 PolarHBondContact O-N 3.04Å; G47-R50 VanDerWaalsContact N-NH2 3.13Å; G47-R50 PolarHBondContact O-N 3.45Å; G47-V51 WeakPolarHBondContact O-CG2 3.5Å; G47-V51 PolarHBondContact O-N 2.82Å; G47-V51 VanDerWaalsContact O-N 3.08Å |
| 48 | T | 77.8 | Confident | 65.6 | Low | 90 Ų | 90 | 80.9 Ų | 80.9 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | -179.7 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | D45 V51 F52 | D45-T48 WeakPolarHBondContact O-CA 3.38Å; D45-T48 WeakPolarHBondContact O-CB 3.43Å; D45-T48 PolarHBondContact O-N 3.48Å; T48-V51 PolarHBondContact O-N 3.36Å; T48-F52 PolarHBondContact O-N 2.9Å |
| 49 | L | 75.4 | Confident | 68 | Low | 32 Ų | 32 | 77.2 Ų | 77.2 | 17% | 0.168 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 178.6 | -177.5 | 132.7 | 0 | 0 | 0 | 112.6 | P44 D45 G47 V51 F52 I53 Y308 | P44-L49 HydrophobicContact CG-CD1 4.19Å; D45-L49 PolarHBondContact O-N 3.37Å; G47-L49 VanDerWaalsContact C-N 3.3Å; G47-L49 PolarHBondContact O-N 3.04Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 2.92Å; L49-F52 WeakPolarHBondContact O-CB 3.22Å; L49-F52 PolarHBondContact O-N 3.31Å; L49-I53 HydrophobicContact CD2-CD1 3.43Å; L49-I53 VanDerWaalsContact CD2-CD1 3.43Å; L49-I53 HydrophobicContact CG-CD1 4.05Å; L49-I53 WeakPolarHBondContact O-CD1 2.99Å; L49-I53 WeakPolarHBondContact O-CG1 3.02Å; L49-I53 PolarHBondContact O-N 3.41Å; L49-Y308 HydrophobicContact CD1-CD1 3.64Å; L49-Y308 HydrophobicContact CD1-CE1 4.11Å; L49-Y308 HydrophobicContact CD2-CD1 3.63Å; L49-Y308 HydrophobicContact CD2-CE1 4.09Å; L49-Y308 HydrophobicContact CG-CD1 4.25Å |
| 50 | R | 78.6 | Confident | 70.4 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 172.9 | -77.5 | -175.7 | -74.2 | -101.5 | -14.6 | 112.2 | D46 G47 I53 S54 I111 D114 | D46-R50 VanDerWaalsContact CG-NH1 3.28Å; D46-R50 VanDerWaalsContact CG-NH2 3.33Å; D46-R50 WeakPolarHBondContact O-CG 3.26Å; D46-R50 PolarHBondContact O-N 3.05Å; D46-R50 PolarHBondContact O-NE 2.94Å; D46-R50 PolarHBondContact O-NH2 2.95Å; D46-R50 IonicContact OD1-NH1 3.2Å; D46-R50 IonicContact OD2-CZ 2.93Å; D46-R50 IonicContact OD2-NH1 3.76Å; D46-R50 PolarHBondContact OD2-NH1 3.45Å; D46-R50 IonicContact OD2-NH2 3.46Å; D46-R50 PolarHBondContact OD2-NH2 3.49Å; G47-R50 VanDerWaalsContact N-NH2 3.13Å; G47-R50 PolarHBondContact O-N 3.45Å; R50-I53 PolarHBondContact O-N 3.11Å; R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 3.27Å; R50-S54 PolarHBondContact O-OG 3.01Å; R50-I111 HydrophobicContact CB-CG2 4.38Å; R50-I111 WeakPolarHBondContact CD-O 3.45Å; R50-I111 HydrophobicContact CG-CG2 4.41Å; R50-D114 IonicContact CZ-OD1 2.67Å; R50-D114 IonicContact NE-OD1 2.74Å; R50-D114 IonicContact NH1-OD1 3.6Å; R50-D114 PolarHBondContact NH1-OD1 2.87Å |
| 51 | V | 82.3 | Confident | 72.9 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | G47 T48 L49 I53 S54 V55 | G47-V51 WeakPolarHBondContact O-CG2 3.5Å; G47-V51 PolarHBondContact O-N 2.82Å; G47-V51 VanDerWaalsContact O-N 3.08Å; T48-V51 PolarHBondContact O-N 3.36Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 2.92Å; V51-I53 PolarHBondContact O-N 2.83Å; V51-S54 PolarHBondContact O-N 3.09Å; V51-V55 HydrophobicContact CG1-CG2 4.5Å; V51-V55 WeakPolarHBondContact O-CG2 3.44Å; V51-V55 PolarHBondContact O-N 3.4Å |
| 52 | F | 83.8 | Confident | 75.6 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 55% | 0.548 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 176.6 | 176.8 | -99.3 | 0 | 0 | 0 | 112.2 | T48 L49 S54 V55 V56 | T48-F52 PolarHBondContact O-N 2.9Å; L49-F52 WeakPolarHBondContact O-CB 3.22Å; L49-F52 PolarHBondContact O-N 3.31Å; F52-S54 VanDerWaalsContact C-N 3.33Å; F52-S54 PolarHBondContact O-N 3.26Å; F52-V55 PolarHBondContact O-N 3.03Å; F52-V56 HydrophobicContact CD1-CG2 4.42Å; F52-V56 HydrophobicContact CE1-CG2 4.02Å; F52-V56 HydrophobicContact CE2-CG2 4.43Å; F52-V56 HydrophobicContact CZ-CG2 4.02Å; F52-V56 WeakPolarHBondContact O-CG2 3.44Å; F52-V56 PolarHBondContact O-N 3.33Å |
| 53 | I | 80.1 | Confident | 77.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 177.5 | -67.4 | 157.4 | 0 | 0 | 0 | 110.8 | L49 R50 V51 V55 V56 Y57 I111 P311 | L49-I53 HydrophobicContact CD2-CD1 3.43Å; L49-I53 VanDerWaalsContact CD2-CD1 3.43Å; L49-I53 HydrophobicContact CG-CD1 4.05Å; L49-I53 WeakPolarHBondContact O-CD1 2.99Å; L49-I53 WeakPolarHBondContact O-CG1 3.02Å; L49-I53 PolarHBondContact O-N 3.41Å; R50-I53 PolarHBondContact O-N 3.11Å; V51-I53 PolarHBondContact O-N 2.83Å; I53-V55 VanDerWaalsContact C-N 3.34Å; I53-V55 PolarHBondContact O-N 3.04Å; I53-V56 WeakPolarHBondContact O-CB 3.42Å; I53-V56 PolarHBondContact O-N 3.41Å; I53-V56 VanDerWaalsContact O-N 3.13Å; I53-Y57 HydrophobicContact CG2-CD2 3.9Å; I53-Y57 HydrophobicContact CG2-CE2 3.62Å; I53-Y57 VanDerWaalsContact O-CD2 3.26Å; I53-Y57 WeakPolarHBondContact O-CD2 3.48Å; I53-Y57 PolarHBondContact O-N 3.47Å; I53-I111 HydrophobicContact CB-CG2 4.36Å; I53-I111 HydrophobicContact CG2-CD1 3.98Å; I53-I111 HydrophobicContact CG2-CG2 4.13Å; I53-P311 HydrophobicContact CD1-CB 3.68Å; I53-P311 HydrophobicContact CD1-CG 4.15Å; I53-P311 HydrophobicContact CG1-CB 4.35Å; I53-P311 HydrophobicContact CG2-CB 3.91Å |
| 54 | S | 84.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | R50 V51 F52 V56 Y57 F58 A108 A112 | R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 3.27Å; R50-S54 PolarHBondContact O-OG 3.01Å; V51-S54 PolarHBondContact O-N 3.09Å; F52-S54 VanDerWaalsContact C-N 3.33Å; F52-S54 PolarHBondContact O-N 3.26Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-V56 PolarHBondContact O-N 3.43Å; S54-Y57 WeakPolarHBondContact O-CB 3.21Å; S54-Y57 PolarHBondContact O-N 3.15Å; S54-F58 WeakPolarHBondContact O-CD2 3.28Å; S54-F58 PolarHBondContact O-N 2.79Å; S54-F58 VanDerWaalsContact O-N 3.11Å; S54-A108 PolarHBondContact OG-O 3.26Å; S54-A112 PolarHBondContact OG-N 3.48Å |
| 55 | V | 87.5 | Confident | 81.9 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | V51 F52 I53 Y57 F58 I59 | V51-V55 HydrophobicContact CG1-CG2 4.5Å; V51-V55 WeakPolarHBondContact O-CG2 3.44Å; V51-V55 PolarHBondContact O-N 3.4Å; F52-V55 PolarHBondContact O-N 3.03Å; I53-V55 VanDerWaalsContact C-N 3.34Å; I53-V55 PolarHBondContact O-N 3.04Å; V55-Y57 VanDerWaalsContact C-N 3.32Å; V55-Y57 PolarHBondContact O-N 3.49Å; V55-F58 PolarHBondContact O-N 2.95Å; V55-I59 HydrophobicContact CG1-CD1 3.89Å; V55-I59 HydrophobicContact CG1-CG1 4.48Å; V55-I59 WeakPolarHBondContact O-CG1 3.31Å; V55-I59 PolarHBondContact O-N 2.95Å |
| 56 | V | 85.1 | Confident | 83.1 | Confident | 38 Ų | 38 | 51 Ų | 51 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F52 I53 S54 F58 I59 V60 C315 | F52-V56 HydrophobicContact CD1-CG2 4.42Å; F52-V56 HydrophobicContact CE1-CG2 4.02Å; F52-V56 HydrophobicContact CE2-CG2 4.43Å; F52-V56 HydrophobicContact CZ-CG2 4.02Å; F52-V56 WeakPolarHBondContact O-CG2 3.44Å; F52-V56 PolarHBondContact O-N 3.33Å; I53-V56 WeakPolarHBondContact O-CB 3.42Å; I53-V56 PolarHBondContact O-N 3.41Å; I53-V56 VanDerWaalsContact O-N 3.13Å; S54-V56 VanDerWaalsContact C-N 3.34Å; S54-V56 PolarHBondContact O-N 3.43Å; V56-F58 VanDerWaalsContact C-N 3.35Å; V56-F58 PolarHBondContact O-N 3.23Å; V56-I59 PolarHBondContact O-N 3.47Å; V56-V60 HydrophobicContact CG1-CG2 4.2Å; V56-V60 VanDerWaalsContact O-CG2 3.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.26Å; V56-V60 PolarHBondContact O-N 2.67Å; V56-C315 HydrophobicContact CG1-CB 4.48Å |
| 57 | Y | 84.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.8 | -87.2 | -127.5 | 0 | 0 | 0 | 112.2 | I53 S54 V55 V60 A61 L104 W107 A108 I111 N314 C315 F318 | I53-Y57 HydrophobicContact CG2-CD2 3.9Å; I53-Y57 HydrophobicContact CG2-CE2 3.62Å; I53-Y57 VanDerWaalsContact O-CD2 3.26Å; I53-Y57 WeakPolarHBondContact O-CD2 3.48Å; I53-Y57 PolarHBondContact O-N 3.47Å; S54-Y57 WeakPolarHBondContact O-CB 3.21Å; S54-Y57 PolarHBondContact O-N 3.15Å; V55-Y57 VanDerWaalsContact C-N 3.32Å; V55-Y57 PolarHBondContact O-N 3.49Å; Y57-V60 PolarHBondContact O-N 2.94Å; Y57-A61 VanDerWaalsContact O-CB 3.25Å; Y57-A61 WeakPolarHBondContact O-CB 3.39Å; Y57-A61 PolarHBondContact O-N 2.74Å; Y57-L104 HydrophobicContact CD1-CD2 4.12Å; Y57-L104 HydrophobicContact CE1-CD2 4.35Å; Y57-W107 HydrophobicContact CD1-CB 3.9Å; Y57-W107 HydrophobicContact CE1-CB 3.68Å; Y57-A108 HydrophobicContact CG-CB 4.44Å; Y57-I111 HydrophobicContact CE1-CD1 4.01Å; Y57-I111 HydrophobicContact CE2-CD1 3.98Å; Y57-N314 WeakPolarHBondContact OH-CB 3.42Å; Y57-N314 PolarHBondContact OH-ND2 3.19Å; Y57-C315 WeakPolarHBondContact CD2-SG 3.49Å; Y57-C315 HydrophobicContact CE2-CB 4.46Å; Y57-C315 WeakPolarHBondContact CE2-SG 3.14Å; Y57-F318 HydrophobicContact CD1-CD2 4.46Å; Y57-F318 HydrophobicContact CD1-CE2 4.43Å; Y57-F318 AromaticContact CE1-CD2 3.82Å; Y57-F318 HydrophobicContact CE1-CD2 3.82Å; Y57-F318 AromaticContact CE1-CE2 3.48Å; Y57-F318 HydrophobicContact CE1-CE2 3.48Å; Y57-F318 VanDerWaalsContact CE1-CE2 3.48Å; Y57-F318 AromaticContact CZ-CD2 3.94Å; Y57-F318 AromaticContact CZ-CE2 3.7Å |
| 58 | F | 88.4 | Confident | 84.6 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.4 | -80.4 | -69.3 | 0 | 0 | 0 | 112.6 | S54 V55 V56 A61 T62 P105 A108 V109 | S54-F58 WeakPolarHBondContact O-CD2 3.28Å; S54-F58 PolarHBondContact O-N 2.79Å; S54-F58 VanDerWaalsContact O-N 3.11Å; V55-F58 PolarHBondContact O-N 2.95Å; V56-F58 VanDerWaalsContact C-N 3.35Å; V56-F58 PolarHBondContact O-N 3.23Å; F58-A61 PolarHBondContact O-N 3.08Å; F58-T62 WeakPolarHBondContact O-CB 3.32Å; F58-T62 PolarHBondContact O-N 2.99Å; F58-T62 PolarHBondContact O-OG1 3.38Å; F58-P105 HydrophobicContact CD1-CB 4.45Å; F58-P105 HydrophobicContact CE1-CB 3.84Å; F58-P105 HydrophobicContact CE1-CG 4.45Å; F58-A108 HydrophobicContact CD2-CB 3.9Å; F58-A108 HydrophobicContact CE2-CB 3.59Å; F58-A108 HydrophobicContact CZ-CB 3.99Å; F58-V109 HydrophobicContact CZ-CG2 4.39Å |
| 59 | I | 87.8 | Confident | 85.1 | Confident | 106 Ų | 106 | 48.1 Ų | 48.1 | 54% | 0.544 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 175.4 | -67.6 | 167.7 | 0 | 0 | 0 | 110.1 | V55 V56 A61 T62 A63 | V55-I59 HydrophobicContact CG1-CD1 3.89Å; V55-I59 HydrophobicContact CG1-CG1 4.48Å; V55-I59 WeakPolarHBondContact O-CG1 3.31Å; V55-I59 PolarHBondContact O-N 2.95Å; V56-I59 PolarHBondContact O-N 3.47Å; I59-A61 PolarHBondContact O-N 3.46Å; I59-T62 PolarHBondContact O-N 3.33Å; I59-A63 WeakPolarHBondContact O-CB 3.43Å; I59-A63 PolarHBondContact O-N 3.37Å |
| 60 | V | 85.6 | Confident | 85.5 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | V56 Y57 T62 A63 G64 L104 F318 C322 | V56-V60 HydrophobicContact CG1-CG2 4.2Å; V56-V60 VanDerWaalsContact O-CG2 3.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.26Å; V56-V60 PolarHBondContact O-N 2.67Å; Y57-V60 PolarHBondContact O-N 2.94Å; V60-T62 PolarHBondContact O-N 3.13Å; V60-A63 PolarHBondContact O-N 2.94Å; V60-G64 PolarHBondContact O-N 3.37Å; V60-L104 HydrophobicContact CG1-CD1 3.9Å; V60-F318 HydrophobicContact CG1-CB 4.27Å; V60-C322 PolarHBondContact O-SG 2.75Å |
| 61 | A | 87.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y57 F58 I59 G64 V65 L104 P105 | Y57-A61 VanDerWaalsContact O-CB 3.25Å; Y57-A61 WeakPolarHBondContact O-CB 3.39Å; Y57-A61 PolarHBondContact O-N 2.74Å; F58-A61 PolarHBondContact O-N 3.08Å; I59-A61 PolarHBondContact O-N 3.46Å; A61-G64 PolarHBondContact O-N 2.89Å; A61-V65 WeakPolarHBondContact O-CB 3.28Å; A61-V65 VanDerWaalsContact O-CG2 3.28Å; A61-V65 WeakPolarHBondContact O-CG2 3.3Å; A61-V65 PolarHBondContact O-N 2.91Å; A61-L104 HydrophobicContact CB-CB 3.82Å; A61-L104 HydrophobicContact CB-CD1 4.17Å; A61-P105 HydrophobicContact CB-CG 4.18Å |
| 62 | T | 88.8 | Confident | 85.8 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | F58 I59 V60 G64 V65 L66 | F58-T62 WeakPolarHBondContact O-CB 3.32Å; F58-T62 PolarHBondContact O-N 2.99Å; F58-T62 PolarHBondContact O-OG1 3.38Å; I59-T62 PolarHBondContact O-N 3.33Å; V60-T62 PolarHBondContact O-N 3.13Å; T62-G64 VanDerWaalsContact C-N 3.34Å; T62-G64 PolarHBondContact O-N 2.83Å; T62-V65 PolarHBondContact O-N 3.29Å; T62-L66 HydrophobicContact CG2-CD1 3.97Å; T62-L66 HydrophobicContact CG2-CG 4.46Å; T62-L66 WeakPolarHBondContact O-CB 3.18Å; T62-L66 VanDerWaalsContact O-CG 3.28Å; T62-L66 WeakPolarHBondContact O-CG 3.28Å; T62-L66 PolarHBondContact O-N 3.46Å |
| 63 | A | 85.7 | Confident | 85.8 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I59 V60 G67 | I59-A63 WeakPolarHBondContact O-CB 3.43Å; I59-A63 PolarHBondContact O-N 3.37Å; V60-A63 PolarHBondContact O-N 2.94Å; A63-G67 WeakPolarHBondContact O-CA 3.36Å; A63-G67 PolarHBondContact O-N 3.39Å |
| 64 | G | 85.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V60 A61 T62 N68 S101 C322 | V60-G64 PolarHBondContact O-N 3.37Å; A61-G64 PolarHBondContact O-N 2.89Å; T62-G64 VanDerWaalsContact C-N 3.34Å; T62-G64 PolarHBondContact O-N 2.83Å; G64-N68 VanDerWaalsContact O-CB 3.24Å; G64-N68 WeakPolarHBondContact O-CB 3.31Å; G64-N68 PolarHBondContact O-N 3.41Å; G64-N68 PolarHBondContact O-ND2 2.92Å; G64-S101 WeakPolarHBondContact CA-OG 3.24Å; G64-C322 VanDerWaalsContact CA-SG 3.6Å |
| 65 | V | 89.1 | Confident | 85.4 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -53.7 | 175.3 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | A61 T62 G67 L69 L98 L102 | A61-V65 WeakPolarHBondContact O-CB 3.28Å; A61-V65 VanDerWaalsContact O-CG2 3.28Å; A61-V65 WeakPolarHBondContact O-CG2 3.3Å; A61-V65 PolarHBondContact O-N 2.91Å; T62-V65 PolarHBondContact O-N 3.29Å; V65-G67 PolarHBondContact O-N 3.48Å; V65-L69 HydrophobicContact CG1-CD1 3.63Å; V65-L69 HydrophobicContact CG1-CG 4.35Å; V65-L69 WeakPolarHBondContact O-CB 3.25Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 2.88Å; V65-L98 HydrophobicContact CB-CD1 4.38Å; V65-L98 HydrophobicContact CG1-CD1 4.27Å; V65-L98 HydrophobicContact CG2-CD1 4.23Å; V65-L102 HydrophobicContact CG2-CD2 4.05Å |
| 66 | L | 88.6 | Confident | 85 | Confident | 114 Ų | 114 | 48.3 Ų | 48.3 | 60% | 0.597 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | -178 | -68 | 175.1 | 0 | 0 | 0 | 112.1 | T62 L70 | T62-L66 HydrophobicContact CG2-CD1 3.97Å; T62-L66 HydrophobicContact CG2-CG 4.46Å; T62-L66 WeakPolarHBondContact O-CB 3.18Å; T62-L66 VanDerWaalsContact O-CG 3.28Å; T62-L66 WeakPolarHBondContact O-CG 3.28Å; T62-L66 PolarHBondContact O-N 3.46Å; L66-L70 VanDerWaalsContact O-CB 3.27Å; L66-L70 WeakPolarHBondContact O-CB 3.34Å; L66-L70 PolarHBondContact O-N 3.45Å |
| 67 | G | 83.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A63 V65 L70 V71 | A63-G67 WeakPolarHBondContact O-CA 3.36Å; A63-G67 PolarHBondContact O-N 3.39Å; V65-G67 PolarHBondContact O-N 3.48Å; G67-L70 PolarHBondContact O-N 3.41Å; G67-V71 WeakPolarHBondContact O-CG2 3.34Å; G67-V71 PolarHBondContact O-N 2.88Å; G67-V71 VanDerWaalsContact O-N 3.11Å |
| 68 | N | 87.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.4 | -37.1 | -179 | -71.5 | -60.7 | 0 | 0 | 0 | 112.2 | G64 L70 V71 M72 A94 D97 L98 P325 | G64-N68 VanDerWaalsContact O-CB 3.24Å; G64-N68 WeakPolarHBondContact O-CB 3.31Å; G64-N68 PolarHBondContact O-N 3.41Å; G64-N68 PolarHBondContact O-ND2 2.92Å; N68-L70 VanDerWaalsContact C-N 3.34Å; N68-L70 PolarHBondContact O-N 2.84Å; N68-V71 PolarHBondContact O-N 3.28Å; N68-M72 WeakPolarHBondContact O-CG 3.29Å; N68-M72 PolarHBondContact O-N 2.89Å; N68-A94 HydrophobicContact CB-CB 4.46Å; N68-D97 WeakPolarHBondContact ND2-CB 3.26Å; N68-L98 HydrophobicContact CB-CB 4.24Å; N68-P325 VanDerWaalsContact OD1-CG 3.24Å; N68-P325 WeakPolarHBondContact OD1-CG 3.22Å |
| 69 | L | 88.1 | Confident | 82.9 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 171.4 | -73.5 | 175.8 | 0 | 0 | 0 | 111.9 | V65 V71 M72 F73 L98 | V65-L69 HydrophobicContact CG1-CD1 3.63Å; V65-L69 HydrophobicContact CG1-CG 4.35Å; V65-L69 WeakPolarHBondContact O-CB 3.25Å; V65-L69 WeakPolarHBondContact O-CG 3.33Å; V65-L69 PolarHBondContact O-N 2.88Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.45Å; L69-M72 PolarHBondContact O-N 3.41Å; L69-F73 VanDerWaalsContact O-CB 3.29Å; L69-F73 WeakPolarHBondContact O-CB 3.37Å; L69-F73 PolarHBondContact O-N 3.16Å; L69-L98 HydrophobicContact CD2-CD1 4.15Å; L69-L98 HydrophobicContact CD2-CD2 3.78Å; L69-L98 HydrophobicContact CG-CD1 3.97Å; L69-L98 HydrophobicContact CG-CD2 4.48Å |
| 70 | L | 84 | Confident | 81.9 | Confident | 67 Ų | 67 | 51 Ų | 51 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.8 | 179.3 | 64.7 | 0 | 0 | 0 | 111.4 | L66 G67 N68 F73 L74 | L66-L70 VanDerWaalsContact O-CB 3.27Å; L66-L70 WeakPolarHBondContact O-CB 3.34Å; L66-L70 PolarHBondContact O-N 3.45Å; G67-L70 PolarHBondContact O-N 3.41Å; N68-L70 VanDerWaalsContact C-N 3.34Å; N68-L70 PolarHBondContact O-N 2.84Å; L70-F73 PolarHBondContact O-N 3.31Å; L70-L74 HydrophobicContact CD1-CD1 4.32Å; L70-L74 HydrophobicContact CD1-CG 4.24Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.43Å; L70-L74 WeakPolarHBondContact O-CB 3.26Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.02Å; L70-L74 PolarHBondContact O-N 3.46Å |
| 71 | V | 82.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 176.5 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | G67 N68 L69 F73 L74 L75 V90 A94 P325 | G67-V71 WeakPolarHBondContact O-CG2 3.34Å; G67-V71 PolarHBondContact O-N 2.88Å; G67-V71 VanDerWaalsContact O-N 3.11Å; N68-V71 PolarHBondContact O-N 3.28Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.45Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 2.87Å; V71-L74 PolarHBondContact O-N 2.95Å; V71-L75 HydrophobicContact CG1-CD1 3.9Å; V71-L75 WeakPolarHBondContact O-CB 3.34Å; V71-L75 VanDerWaalsContact O-CG 3.32Å; V71-L75 WeakPolarHBondContact O-CG 3.5Å; V71-L75 PolarHBondContact O-N 3.08Å; V71-V90 HydrophobicContact CG1-CG1 4Å; V71-A94 HydrophobicContact CB-CB 4.43Å; V71-A94 HydrophobicContact CG1-CB 4.07Å; V71-P325 HydrophobicContact CG2-CB 3.51Å; V71-P325 HydrophobicContact CG2-CG 3.94Å |
| 72 | M | 84.1 | Confident | 79.4 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 16% | 0.163 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.6 | -69.7 | 176.3 | 71.8 | 0 | 0 | 111.4 | N68 L69 L75 Y76 F91 A94 L95 L98 | N68-M72 WeakPolarHBondContact O-CG 3.29Å; N68-M72 PolarHBondContact O-N 2.89Å; L69-M72 PolarHBondContact O-N 3.41Å; M72-L75 PolarHBondContact O-N 3.42Å; M72-Y76 WeakPolarHBondContact O-CB 3.24Å; M72-Y76 PolarHBondContact O-N 2.84Å; M72-F91 HydrophobicContact CB-CD2 4.41Å; M72-F91 HydrophobicContact CB-CE2 4.1Å; M72-F91 HydrophobicContact CE-CD2 4.49Å; M72-F91 HydrophobicContact CE-CE1 4.31Å; M72-F91 HydrophobicContact CE-CE2 3.6Å; M72-F91 HydrophobicContact CE-CZ 3.49Å; M72-F91 VanDerWaalsContact CE-CZ 3.49Å; M72-F91 HydrophobicContact CG-CD2 4.13Å; M72-F91 HydrophobicContact CG-CE2 3.99Å; M72-A94 HydrophobicContact CG-CB 3.87Å; M72-L95 HydrophobicContact CE-CD1 4.42Å; M72-L98 HydrophobicContact SD-CD2 3.97Å |
| 73 | F | 83.4 | Confident | 78.2 | Confident | 107 Ų | 107 | 58.3 Ų | 58.3 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.2 | 176.3 | -98.9 | 0 | 0 | 0 | 112.3 | L69 L70 V71 L75 Y76 S77 V342 | L69-F73 VanDerWaalsContact O-CB 3.29Å; L69-F73 WeakPolarHBondContact O-CB 3.37Å; L69-F73 PolarHBondContact O-N 3.16Å; L70-F73 PolarHBondContact O-N 3.31Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 2.87Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 2.91Å; F73-Y76 PolarHBondContact O-N 3.45Å; F73-S77 VanDerWaalsContact O-CB 3.25Å; F73-S77 WeakPolarHBondContact O-CB 3.29Å; F73-S77 PolarHBondContact O-N 2.94Å; F73-V342 HydrophobicContact CE1-CG2 4.37Å |
| 74 | L | 78.3 | Confident | 77.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.1 | -72.9 | 172 | 0 | 0 | 0 | 111.6 | L70 V71 T78 A338 L339 V342 | L70-L74 HydrophobicContact CD1-CD1 4.32Å; L70-L74 HydrophobicContact CD1-CG 4.24Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.43Å; L70-L74 WeakPolarHBondContact O-CB 3.26Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.02Å; L70-L74 PolarHBondContact O-N 3.46Å; V71-L74 PolarHBondContact O-N 2.95Å; L74-T78 WeakPolarHBondContact O-CB 3.25Å; L74-T78 VanDerWaalsContact O-CG2 3.29Å; L74-T78 WeakPolarHBondContact O-CG2 3.36Å; L74-T78 PolarHBondContact O-N 3.16Å; L74-T78 VanDerWaalsContact O-N 3.08Å; L74-T78 PolarHBondContact O-OG1 3.47Å; L74-A338 HydrophobicContact CD2-CB 4.23Å; L74-L339 HydrophobicContact CD1-CD1 3.89Å; L74-L339 HydrophobicContact CD1-CG 3.98Å; L74-V342 HydrophobicContact CD2-CG2 3.93Å |
| 75 | L | 78 | Confident | 76.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 176 | -82.2 | 173.4 | 0 | 0 | 0 | 111.8 | V71 M72 F73 T78 H79 T80 I81 N87 V90 F91 Y335 | V71-L75 HydrophobicContact CG1-CD1 3.9Å; V71-L75 WeakPolarHBondContact O-CB 3.34Å; V71-L75 VanDerWaalsContact O-CG 3.32Å; V71-L75 WeakPolarHBondContact O-CG 3.5Å; V71-L75 PolarHBondContact O-N 3.08Å; M72-L75 PolarHBondContact O-N 3.42Å; F73-L75 VanDerWaalsContact C-N 3.34Å; F73-L75 PolarHBondContact O-N 2.91Å; L75-T78 PolarHBondContact O-OG1 3.21Å; L75-H79 PolarHBondContact O-N 3.16Å; L75-T80 PolarHBondContact O-N 3Å; L75-T80 PolarHBondContact O-OG1 3.14Å; L75-I81 HydrophobicContact CB-CD1 4.08Å; L75-I81 HydrophobicContact CB-CG1 3.68Å; L75-N87 HydrophobicContact CD2-CB 3.88Å; L75-V90 HydrophobicContact CD1-CB 4.43Å; L75-V90 HydrophobicContact CD1-CG1 4.03Å; L75-F91 HydrophobicContact CD1-CB 3.99Å; L75-F91 HydrophobicContact CD1-CD2 4.38Å; L75-Y335 HydrophobicContact CD2-CE1 3.93Å; L75-Y335 WeakPolarHBondContact CD2-OH 3.27Å; L75-Y335 HydrophobicContact CG-CE1 4.18Å |
| 76 | Y | 79.6 | Confident | 75.9 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.8 | -51.1 | 178.3 | -175.3 | -97.8 | 0 | 0 | 0 | 111.9 | M72 F73 T78 H79 I81 | M72-Y76 WeakPolarHBondContact O-CB 3.24Å; M72-Y76 PolarHBondContact O-N 2.84Å; F73-Y76 PolarHBondContact O-N 3.45Å; Y76-T78 PolarHBondContact O-N 3.47Å; Y76-H79 PolarHBondContact O-N 3.3Å; Y76-I81 HydrophobicContact CD2-CD1 4.37Å |
| 77 | S | 74.8 | Confident | 75.3 | Confident | 65 Ų | 65 | 53 Ų | 53 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -27.4 | -177.3 | 177.8 | 0 | 0 | 0 | 0 | 113.3 | F73 H79 | F73-S77 VanDerWaalsContact O-CB 3.25Å; F73-S77 WeakPolarHBondContact O-CB 3.29Å; F73-S77 PolarHBondContact O-N 2.94Å; S77-H79 VanDerWaalsContact C-N 3.33Å |
| 78 | T | 69.1 | Low | 75.2 | Confident | 58 Ų | 58 | 54 Ų | 54 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.6 | 176.4 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | L74 L75 Y76 T80 A338 | L74-T78 WeakPolarHBondContact O-CB 3.25Å; L74-T78 VanDerWaalsContact O-CG2 3.29Å; L74-T78 WeakPolarHBondContact O-CG2 3.36Å; L74-T78 PolarHBondContact O-N 3.16Å; L74-T78 VanDerWaalsContact O-N 3.08Å; L74-T78 PolarHBondContact O-OG1 3.47Å; L75-T78 PolarHBondContact O-OG1 3.21Å; Y76-T78 PolarHBondContact O-N 3.47Å; T78-T80 WeakPolarHBondContact O-CG2 3.34Å; T78-T80 PolarHBondContact O-N 3.45Å; T78-T80 WeakPolarHBondContact OG1-CG2 3.31Å; T78-T80 PolarHBondContact OG1-OG1 3.37Å; T78-A338 HydrophobicContact CG2-CB 3.86Å |
| 79 | H | 70.3 | Confident | 75 | Confident | 138 Ų | 138 | 54 Ų | 54 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 26.8 | -171.2 | -69.7 | -85.4 | 0 | 0 | 0 | 113.2 | L75 Y76 S77 T83 | L75-H79 PolarHBondContact O-N 3.16Å; Y76-H79 PolarHBondContact O-N 3.3Å; S77-H79 VanDerWaalsContact C-N 3.33Å; H79-T83 PolarHBondContact O-OG1 3.33Å; H79-T83 VanDerWaalsContact O-OG1 3.06Å |
| 80 | T | 65.8 | Low | 74.6 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | trans | -87.8 | -8.1 | -174.3 | 55 | 0 | 0 | 0 | 0 | 113.6 | L75 T78 T82 T83 N87 | L75-T80 PolarHBondContact O-N 3Å; L75-T80 PolarHBondContact O-OG1 3.14Å; T78-T80 WeakPolarHBondContact O-CG2 3.34Å; T78-T80 PolarHBondContact O-N 3.45Å; T78-T80 WeakPolarHBondContact OG1-CG2 3.31Å; T78-T80 PolarHBondContact OG1-OG1 3.37Å; T80-T82 VanDerWaalsContact C-N 3.29Å; T80-T82 PolarHBondContact O-N 3.36Å; T80-T83 WeakPolarHBondContact CA-OG1 3.31Å; T80-T83 PolarHBondContact O-N 3.44Å; T80-N87 VanDerWaalsContact O-CB 3.22Å; T80-N87 WeakPolarHBondContact O-CB 3.37Å; T80-N87 PolarHBondContact O-ND2 2.98Å | ||
| 81 | I | 62.4 | Low | 74.7 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -42.9 | 177.7 | -65.6 | 170.7 | 0 | 0 | 0 | 111.1 | L75 Y76 F88 F91 | L75-I81 HydrophobicContact CB-CD1 4.08Å; L75-I81 HydrophobicContact CB-CG1 3.68Å; Y76-I81 HydrophobicContact CD2-CD1 4.37Å; I81-F88 HydrophobicContact CG2-CD2 4.11Å; I81-F91 HydrophobicContact CD1-CD2 3.82Å; I81-F91 HydrophobicContact CD1-CE2 4.03Å; I81-F91 HydrophobicContact CG1-CD2 4.35Å |
| 82 | T | 59.1 | Low | 75 | Confident | 115 Ų | 115 | 49.9 Ų | 49.9 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.7 | -176.7 | 52 | 0 | 0 | 0 | 0 | 113.3 | T80 G84 | T80-T82 VanDerWaalsContact C-N 3.29Å; T80-T82 PolarHBondContact O-N 3.36Å; T82-G84 VanDerWaalsContact C-N 3.34Å; T82-G84 PolarHBondContact O-N 2.86Å |
| 83 | T | 62.8 | Low | 75.1 | Confident | 110 Ų | 110 | 48.3 Ų | 48.3 | 68% | 0.675 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.2 | -173.6 | -36.9 | 0 | 0 | 0 | 0 | 113 | H79 T80 | H79-T83 PolarHBondContact O-OG1 3.33Å; H79-T83 VanDerWaalsContact O-OG1 3.06Å; T80-T83 WeakPolarHBondContact CA-OG1 3.31Å; T80-T83 PolarHBondContact O-N 3.44Å |
| 84 | G | 67.5 | Low | 75.2 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | trans | -166.5 | 141.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | T82 I86 N87 F88 | T82-G84 VanDerWaalsContact C-N 3.34Å; T82-G84 PolarHBondContact O-N 2.86Å; G84-I86 PolarHBondContact O-N 3.44Å; G84-N87 PolarHBondContact O-N 3.34Å; G84-F88 PolarHBondContact O-N 2.82Å | ||
| 85 | T | 71.6 | Confident | 75.8 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 14% | 0.135 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -48.7 | -36.2 | 178.7 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | F88 F89 T148 F170 | T85-F88 PolarHBondContact O-N 3.09Å; T85-F89 HydrophobicContact CG2-CD2 4.18Å; T85-F89 HydrophobicContact CG2-CE1 4.33Å; T85-F89 HydrophobicContact CG2-CE2 3.58Å; T85-F89 HydrophobicContact CG2-CZ 3.66Å; T85-F89 WeakPolarHBondContact O-CG 3.45Å; T85-F89 PolarHBondContact O-N 3.2Å; T85-F89 VanDerWaalsContact O-N 3.11Å; T85-T148 HydrophobicContact CG2-CG2 3.69Å; T85-F170 HydrophobicContact CG2-CB 3.63Å |
| 86 | I | 72.8 | Confident | 76.4 | Confident | 23 Ų | 23 | 45.9 Ų | 45.9 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.4 | -39.9 | -179.9 | -58.5 | 167.1 | 0 | 0 | 0 | 111.4 | G84 F88 F89 V90 M145 T148 R149 R332 | G84-I86 PolarHBondContact O-N 3.44Å; I86-F88 VanDerWaalsContact C-N 3.3Å; I86-F88 PolarHBondContact O-N 3.14Å; I86-F89 PolarHBondContact O-N 3.02Å; I86-V90 HydrophobicContact CG2-CG2 4.36Å; I86-V90 VanDerWaalsContact O-CG2 3.27Å; I86-V90 WeakPolarHBondContact O-CG2 3.43Å; I86-V90 PolarHBondContact O-N 3.01Å; I86-M145 HydrophobicContact CG2-CG 4.3Å; I86-M145 HydrophobicContact CG2-SD 4.2Å; I86-T148 HydrophobicContact CG1-CG2 4.09Å; I86-R149 HydrophobicContact CD1-CG 3.51Å; I86-R149 HydrophobicContact CG1-CG 4.4Å; I86-R332 VanDerWaalsContact CG2-NH2 3.27Å |
| 87 | N | 76.1 | Confident | 76.8 | Confident | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -34.3 | 178.8 | -66.6 | -23.2 | 0 | 0 | 0 | 111 | L75 T80 G84 V90 F91 Y335 | L75-N87 HydrophobicContact CD2-CB 3.88Å; T80-N87 VanDerWaalsContact O-CB 3.22Å; T80-N87 WeakPolarHBondContact O-CB 3.37Å; T80-N87 PolarHBondContact O-ND2 2.98Å; G84-N87 PolarHBondContact O-N 3.34Å; N87-V90 PolarHBondContact O-N 3.49Å; N87-F91 PolarHBondContact O-N 3.4Å; N87-Y335 PolarHBondContact OD1-OH 3.03Å |
| 88 | F | 82.5 | Confident | 77.5 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 18% | 0.18 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.4 | -169.7 | -103.1 | 0 | 0 | 0 | 112.5 | I81 G84 T85 I86 F91 N92 F170 T174 | I81-F88 HydrophobicContact CG2-CD2 4.11Å; G84-F88 PolarHBondContact O-N 2.82Å; T85-F88 PolarHBondContact O-N 3.09Å; I86-F88 VanDerWaalsContact C-N 3.3Å; I86-F88 PolarHBondContact O-N 3.14Å; F88-F91 PolarHBondContact O-N 2.93Å; F88-N92 WeakPolarHBondContact CE1-ND2 3.47Å; F88-N92 PolarHBondContact O-N 3.47Å; F88-N92 VanDerWaalsContact O-N 3.13Å; F88-N92 PolarHBondContact O-ND2 3.42Å; F88-F170 HydrophobicContact CB-CD2 4.02Å; F88-F170 HydrophobicContact CB-CE2 4.42Å; F88-F170 AromaticContact CD1-CD2 3.51Å; F88-F170 HydrophobicContact CD1-CD2 3.51Å; F88-F170 HydrophobicContact CD1-CE2 4.24Å; F88-F170 HydrophobicContact CD1-CG 4.47Å; F88-F170 HydrophobicContact CD2-CD2 4.09Å; F88-F170 AromaticContact CD2-CE2 4Å; F88-F170 HydrophobicContact CD2-CE2 4Å; F88-F170 AromaticContact CE1-CD2 3.88Å; F88-F170 HydrophobicContact CE1-CD2 3.88Å; F88-F170 HydrophobicContact CE1-CE2 4.48Å; F88-F170 HydrophobicContact CE2-CD2 4.45Å; F88-F170 HydrophobicContact CE2-CE2 4.29Å; F88-F170 AromaticContact CG-CD2 3.6Å; F88-F170 HydrophobicContact CG-CD2 3.6Å; F88-F170 AromaticContact CG-CE2 3.97Å; F88-F170 HydrophobicContact CG-CE2 3.97Å; F88-F170 HydrophobicContact CZ-CD2 4.35Å; F88-T174 WeakPolarHBondContact CD1-OG1 3.19Å; F88-T174 HydrophobicContact CE1-CG2 3.85Å; F88-T174 WeakPolarHBondContact CE1-OG1 3.43Å; F88-T174 HydrophobicContact CZ-CG2 4.5Å |
| 89 | F | 81.6 | Confident | 78.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 174.2 | -64.8 | -22.3 | 0 | 0 | 0 | 112.9 | T85 I86 F91 N92 L93 F141 A144 M145 T148 T173 T174 | T85-F89 HydrophobicContact CG2-CD2 4.18Å; T85-F89 HydrophobicContact CG2-CE1 4.33Å; T85-F89 HydrophobicContact CG2-CE2 3.58Å; T85-F89 HydrophobicContact CG2-CZ 3.66Å; T85-F89 WeakPolarHBondContact O-CG 3.45Å; T85-F89 PolarHBondContact O-N 3.2Å; T85-F89 VanDerWaalsContact O-N 3.11Å; I86-F89 PolarHBondContact O-N 3.02Å; F89-F91 VanDerWaalsContact C-N 3.3Å; F89-F91 PolarHBondContact O-N 3.28Å; F89-N92 PolarHBondContact O-N 3.44Å; F89-L93 WeakPolarHBondContact O-CB 3.36Å; F89-L93 PolarHBondContact O-N 3.38Å; F89-F141 HydrophobicContact CB-CD1 4.21Å; F89-F141 HydrophobicContact CD1-CD1 4.16Å; F89-F141 HydrophobicContact CD1-CE1 4.27Å; F89-F141 HydrophobicContact CG-CD1 4.35Å; F89-A144 HydrophobicContact CD2-CB 4.12Å; F89-A144 HydrophobicContact CE2-CB 3.79Å; F89-A144 HydrophobicContact CZ-CB 4.23Å; F89-M145 HydrophobicContact CB-CG 3.55Å; F89-M145 HydrophobicContact CB-SD 4.2Å; F89-M145 HydrophobicContact CD2-CG 3.83Å; F89-M145 HydrophobicContact CG-CG 4.2Å; F89-T148 WeakPolarHBondContact CE2-OG1 3.29Å; F89-T173 HydrophobicContact CE1-CG2 4.47Å; F89-T173 HydrophobicContact CZ-CG2 3.99Å; F89-T174 WeakPolarHBondContact CD1-OG1 3.04Å; F89-T174 VanDerWaalsContact CE1-OG1 3.28Å; F89-T174 WeakPolarHBondContact CE1-OG1 3.29Å |
| 90 | V | 81.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 111 | V71 L75 I86 N87 L93 A94 M145 Y328 | V71-V90 HydrophobicContact CG1-CG1 4Å; L75-V90 HydrophobicContact CD1-CB 4.43Å; L75-V90 HydrophobicContact CD1-CG1 4.03Å; I86-V90 HydrophobicContact CG2-CG2 4.36Å; I86-V90 VanDerWaalsContact O-CG2 3.27Å; I86-V90 WeakPolarHBondContact O-CG2 3.43Å; I86-V90 PolarHBondContact O-N 3.01Å; N87-V90 PolarHBondContact O-N 3.49Å; V90-L93 PolarHBondContact O-N 3.32Å; V90-A94 WeakPolarHBondContact O-CB 3.32Å; V90-A94 PolarHBondContact O-N 3.25Å; V90-M145 HydrophobicContact CG2-SD 3.6Å; V90-Y328 HydrophobicContact CG1-CD2 3.97Å; V90-Y328 HydrophobicContact CG1-CE2 4.17Å; V90-Y328 HydrophobicContact CG1-CG 4.48Å; V90-Y328 HydrophobicContact CG2-CE1 4.45Å; V90-Y328 HydrophobicContact CG2-CE2 4.48Å |
| 91 | F | 85.6 | Confident | 80.4 | Confident | 49 Ų | 49 | 28.6 Ų | 28.6 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.8 | -178 | -91.6 | 0 | 0 | 0 | 112.2 | M72 L75 I81 N87 F88 F89 L93 A94 L95 | M72-F91 HydrophobicContact CB-CD2 4.41Å; M72-F91 HydrophobicContact CB-CE2 4.1Å; M72-F91 HydrophobicContact CE-CD2 4.49Å; M72-F91 HydrophobicContact CE-CE1 4.31Å; M72-F91 HydrophobicContact CE-CE2 3.6Å; M72-F91 HydrophobicContact CE-CZ 3.49Å; M72-F91 VanDerWaalsContact CE-CZ 3.49Å; M72-F91 HydrophobicContact CG-CD2 4.13Å; M72-F91 HydrophobicContact CG-CE2 3.99Å; L75-F91 HydrophobicContact CD1-CB 3.99Å; L75-F91 HydrophobicContact CD1-CD2 4.38Å; I81-F91 HydrophobicContact CD1-CD2 3.82Å; I81-F91 HydrophobicContact CD1-CE2 4.03Å; I81-F91 HydrophobicContact CG1-CD2 4.35Å; N87-F91 PolarHBondContact O-N 3.4Å; F88-F91 PolarHBondContact O-N 2.93Å; F89-F91 VanDerWaalsContact C-N 3.3Å; F89-F91 PolarHBondContact O-N 3.28Å; F91-L93 VanDerWaalsContact C-N 3.31Å; F91-L93 PolarHBondContact O-N 2.93Å; F91-A94 PolarHBondContact O-N 3.42Å; F91-L95 PolarHBondContact O-N 3.06Å |
| 92 | N | 88.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -33.7 | 179.3 | -77.4 | -90.5 | 0 | 0 | 0 | 112.4 | F88 F89 L95 A96 F141 T174 W178 | F88-N92 WeakPolarHBondContact CE1-ND2 3.47Å; F88-N92 PolarHBondContact O-N 3.47Å; F88-N92 VanDerWaalsContact O-N 3.13Å; F88-N92 PolarHBondContact O-ND2 3.42Å; F89-N92 PolarHBondContact O-N 3.44Å; N92-L95 PolarHBondContact O-N 3.27Å; N92-A96 PolarHBondContact O-N 2.92Å; N92-F141 HydrophobicContact CB-CD1 4.26Å; N92-F141 HydrophobicContact CB-CD2 4.41Å; N92-F141 HydrophobicContact CB-CE1 3.6Å; N92-F141 HydrophobicContact CB-CE2 3.78Å; N92-F141 HydrophobicContact CB-CZ 3.35Å; N92-T174 HydrophobicContact CB-CG2 4.41Å; N92-T174 VanDerWaalsContact OD1-CG2 3.26Å; N92-T174 WeakPolarHBondContact OD1-CG2 3.44Å; N92-W178 PolarHBondContact OD1-NE1 3.12Å |
| 93 | L | 85.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -48.8 | 171.5 | -179.7 | 64.9 | 0 | 0 | 0 | 111.2 | F89 V90 F91 L95 A96 D97 S138 F141 L142 M145 Y328 | F89-L93 WeakPolarHBondContact O-CB 3.36Å; F89-L93 PolarHBondContact O-N 3.38Å; V90-L93 PolarHBondContact O-N 3.32Å; F91-L93 VanDerWaalsContact C-N 3.31Å; F91-L93 PolarHBondContact O-N 2.93Å; L93-L95 PolarHBondContact O-N 2.87Å; L93-A96 PolarHBondContact O-N 3.29Å; L93-A96 VanDerWaalsContact O-N 3.14Å; L93-D97 PolarHBondContact O-N 3.5Å; L93-S138 VanDerWaalsContact CD1-CA 3.46Å; L93-S138 VanDerWaalsContact CD1-OG 3.24Å; L93-S138 WeakPolarHBondContact CD1-OG 3.39Å; L93-F141 HydrophobicContact CB-CB 4.32Å; L93-F141 HydrophobicContact CD1-CB 4.32Å; L93-L142 HydrophobicContact CD2-CD2 4.41Å; L93-M145 HydrophobicContact CD2-CE 3.74Å; L93-Y328 HydrophobicContact CD2-CE2 3.86Å; L93-Y328 WeakPolarHBondContact CD2-OH 3.45Å |
| 94 | A | 86.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.4 | -33.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N68 V71 M72 V90 F91 L98 | N68-A94 HydrophobicContact CB-CB 4.46Å; V71-A94 HydrophobicContact CB-CB 4.43Å; V71-A94 HydrophobicContact CG1-CB 4.07Å; M72-A94 HydrophobicContact CG-CB 3.87Å; V90-A94 WeakPolarHBondContact O-CB 3.32Å; V90-A94 PolarHBondContact O-N 3.25Å; F91-A94 PolarHBondContact O-N 3.42Å; A94-L98 WeakPolarHBondContact O-CB 3.2Å; A94-L98 PolarHBondContact O-N 3.45Å |
| 95 | L | 90.1 | Very high | 85.2 | Confident | 52 Ų | 52 | 22 Ų | 22 | 27% | 0.272 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 173.4 | 179.7 | 62.3 | 0 | 0 | 0 | 112 | M72 F91 N92 L93 L98 L99 W178 | M72-L95 HydrophobicContact CE-CD1 4.42Å; F91-L95 PolarHBondContact O-N 3.06Å; N92-L95 PolarHBondContact O-N 3.27Å; L93-L95 PolarHBondContact O-N 2.87Å; L95-L98 PolarHBondContact O-N 2.82Å; L95-L99 HydrophobicContact CD1-CG 4.47Å; L95-L99 HydrophobicContact CG-CD1 4.44Å; L95-L99 VanDerWaalsContact O-CG 3.32Å; L95-L99 WeakPolarHBondContact O-CG 3.09Å; L95-L99 PolarHBondContact O-N 3.11Å; L95-W178 HydrophobicContact CD2-CZ2 4.24Å |
| 96 | A | 90.1 | Very high | 86 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N92 L93 L98 L99 F100 N134 A137 W178 | N92-A96 PolarHBondContact O-N 2.92Å; L93-A96 PolarHBondContact O-N 3.29Å; L93-A96 VanDerWaalsContact O-N 3.14Å; A96-L98 VanDerWaalsContact C-N 3.3Å; A96-L98 PolarHBondContact O-N 3.45Å; A96-L99 PolarHBondContact O-N 3.41Å; A96-F100 PolarHBondContact O-N 3.46Å; A96-N134 VanDerWaalsContact C-OD1 3.23Å; A96-N134 PolarHBondContact O-OD1 2.83Å; A96-A137 HydrophobicContact CB-CB 4Å; A96-W178 HydrophobicContact CB-CH2 3.92Å |
| 97 | D | 87.8 | Confident | 86.5 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 178.6 | -72.2 | -36.2 | 0 | 0 | 0 | 111.6 | N68 L93 S101 N134 S138 S321 N324 | N68-D97 WeakPolarHBondContact ND2-CB 3.26Å; L93-D97 PolarHBondContact O-N 3.5Å; D97-S101 WeakPolarHBondContact O-CB 3.32Å; D97-S101 PolarHBondContact O-N 2.95Å; D97-S101 PolarHBondContact O-OG 3.48Å; D97-N134 PolarHBondContact N-OD1 3.39Å; D97-N134 PolarHBondContact OD1-OD1 3.45Å; D97-S138 PolarHBondContact OD1-OG 3.49Å; D97-S321 VanDerWaalsContact OD1-CB 3.24Å; D97-S321 WeakPolarHBondContact OD1-CB 3.44Å; D97-N324 PolarHBondContact OD2-ND2 3.25Å |
| 98 | L | 89.1 | Confident | 87 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 12% | 0.115 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.1 | -49.3 | 174.2 | 178.6 | 65.9 | 0 | 0 | 0 | 111.9 | V65 N68 L69 M72 A94 L95 A96 F100 S101 L102 | V65-L98 HydrophobicContact CB-CD1 4.38Å; V65-L98 HydrophobicContact CG1-CD1 4.27Å; V65-L98 HydrophobicContact CG2-CD1 4.23Å; N68-L98 HydrophobicContact CB-CB 4.24Å; L69-L98 HydrophobicContact CD2-CD1 4.15Å; L69-L98 HydrophobicContact CD2-CD2 3.78Å; L69-L98 HydrophobicContact CG-CD1 3.97Å; L69-L98 HydrophobicContact CG-CD2 4.48Å; M72-L98 HydrophobicContact SD-CD2 3.97Å; A94-L98 WeakPolarHBondContact O-CB 3.2Å; A94-L98 PolarHBondContact O-N 3.45Å; L95-L98 PolarHBondContact O-N 2.82Å; A96-L98 VanDerWaalsContact C-N 3.3Å; A96-L98 PolarHBondContact O-N 3.45Å; L98-F100 PolarHBondContact O-N 2.85Å; L98-S101 WeakPolarHBondContact O-CB 3.09Å; L98-S101 PolarHBondContact O-N 3.05Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-L102 WeakPolarHBondContact O-CG 3.15Å; L98-L102 PolarHBondContact O-N 2.9Å; L98-L102 VanDerWaalsContact O-N 3.07Å |
| 99 | L | 90.5 | Very high | 87.1 | Confident | 64 Ų | 64 | 24.4 Ų | 24.4 | 34% | 0.335 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -58.3 | -38.5 | 177.9 | -71.3 | 173.3 | 0 | 0 | 0 | 111.3 | L95 A96 A103 L130 | L95-L99 HydrophobicContact CD1-CG 4.47Å; L95-L99 HydrophobicContact CG-CD1 4.44Å; L95-L99 VanDerWaalsContact O-CG 3.32Å; L95-L99 WeakPolarHBondContact O-CG 3.09Å; L95-L99 PolarHBondContact O-N 3.11Å; A96-L99 PolarHBondContact O-N 3.41Å; L99-A103 PolarHBondContact O-N 3.25Å; L99-L130 HydrophobicContact CB-CD2 4.24Å |
| 100 | F | 88.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68 | -42.8 | 174.1 | -179.4 | -110.3 | 0 | 0 | 0 | 113.1 | A96 L98 L102 A103 L104 T131 N134 F318 | A96-F100 PolarHBondContact O-N 3.46Å; L98-F100 PolarHBondContact O-N 2.85Å; F100-L102 PolarHBondContact O-N 3.46Å; F100-A103 WeakPolarHBondContact O-CA 3.41Å; F100-A103 WeakPolarHBondContact O-CB 3.22Å; F100-A103 PolarHBondContact O-N 3.38Å; F100-L104 HydrophobicContact CD1-CG 4.44Å; F100-L104 HydrophobicContact CE1-CD1 4.04Å; F100-L104 HydrophobicContact CE1-CD2 3.69Å; F100-L104 HydrophobicContact CE1-CG 3.87Å; F100-L104 HydrophobicContact CE2-CD2 4.27Å; F100-L104 HydrophobicContact CZ-CD2 3.4Å; F100-L104 HydrophobicContact CZ-CG 3.93Å; F100-L104 PolarHBondContact O-N 3.16Å; F100-L104 VanDerWaalsContact O-N 3.17Å; F100-T131 HydrophobicContact CE2-CG2 4.02Å; F100-N134 HydrophobicContact CB-CB 3.67Å; F100-N134 VanDerWaalsContact CB-CG 3.44Å; F100-N134 WeakPolarHBondContact CD1-ND2 3.36Å; F100-N134 HydrophobicContact CD2-CB 4.05Å; F100-N134 HydrophobicContact CG-CB 3.86Å; F100-N134 WeakPolarHBondContact CG-ND2 3.31Å; F100-F318 HydrophobicContact CE1-CB 3.96Å; F100-F318 AromaticContact CE1-CD1 3.45Å; F100-F318 HydrophobicContact CE1-CD1 3.45Å; F100-F318 VanDerWaalsContact CE1-CD1 3.45Å; F100-F318 HydrophobicContact CE1-CE1 4.03Å; F100-F318 AromaticContact CE1-CG 3.74Å; F100-F318 HydrophobicContact CE1-CG 3.74Å; F100-F318 HydrophobicContact CE2-CD1 4.26Å; F100-F318 AromaticContact CE2-CE1 4Å; F100-F318 HydrophobicContact CE2-CE1 4Å; F100-F318 HydrophobicContact CE2-CZ 4.42Å; F100-F318 HydrophobicContact CZ-CB 4.36Å; F100-F318 AromaticContact CZ-CD1 3.14Å; F100-F318 HydrophobicContact CZ-CD1 3.14Å; F100-F318 HydrophobicContact CZ-CD2 4.15Å; F100-F318 AromaticContact CZ-CE1 3.23Å; F100-F318 HydrophobicContact CZ-CE1 3.23Å; F100-F318 HydrophobicContact CZ-CE2 4.2Å; F100-F318 AromaticContact CZ-CG 3.63Å; F100-F318 HydrophobicContact CZ-CG 3.63Å; F100-F318 AromaticContact CZ-CZ 3.75Å; F100-F318 HydrophobicContact CZ-CZ 3.75Å |
| 101 | S | 88.6 | Confident | 87 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.4 | -31.8 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | G64 D97 L98 A103 P105 | G64-S101 WeakPolarHBondContact CA-OG 3.24Å; D97-S101 WeakPolarHBondContact O-CB 3.32Å; D97-S101 PolarHBondContact O-N 2.95Å; D97-S101 PolarHBondContact O-OG 3.48Å; L98-S101 WeakPolarHBondContact O-CB 3.09Å; L98-S101 PolarHBondContact O-N 3.05Å; L98-S101 VanDerWaalsContact O-N 3.1Å; S101-A103 VanDerWaalsContact C-N 3.34Å; S101-P105 WeakPolarHBondContact O-CD 3.2Å |
| 102 | L | 89.3 | Confident | 86.8 | Confident | 98 Ų | 98 | 25.1 Ų | 25.1 | 51% | 0.513 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -73.6 | -22.1 | 173.3 | -65 | 173.7 | 0 | 0 | 0 | 113.6 | V65 L98 F100 P105 | V65-L102 HydrophobicContact CG2-CD2 4.05Å; L98-L102 WeakPolarHBondContact O-CG 3.15Å; L98-L102 PolarHBondContact O-N 2.9Å; L98-L102 VanDerWaalsContact O-N 3.07Å; F100-L102 PolarHBondContact O-N 3.46Å; L102-P105 WeakPolarHBondContact O-CD 3.43Å |
| 103 | A | 88.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -85.4 | -21.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L99 F100 S101 F106 V127 L130 | L99-A103 PolarHBondContact O-N 3.25Å; F100-A103 WeakPolarHBondContact O-CA 3.41Å; F100-A103 WeakPolarHBondContact O-CB 3.22Å; F100-A103 PolarHBondContact O-N 3.38Å; S101-A103 VanDerWaalsContact C-N 3.34Å; A103-F106 WeakPolarHBondContact O-CB 3.26Å; A103-F106 PolarHBondContact O-N 3.07Å; A103-V127 HydrophobicContact CB-CG1 4.34Å; A103-V127 HydrophobicContact CB-CG2 4.49Å; A103-L130 HydrophobicContact CB-CB 4.1Å; A103-L130 HydrophobicContact CB-CD1 3.95Å |
| 104 | L | 85.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.5 | -40.7 | -179.5 | -76.1 | 176.8 | 0 | 0 | 0 | 115.3 | Y57 V60 A61 F100 F106 W107 A108 F318 | Y57-L104 HydrophobicContact CD1-CD2 4.12Å; Y57-L104 HydrophobicContact CE1-CD2 4.35Å; V60-L104 HydrophobicContact CG1-CD1 3.9Å; A61-L104 HydrophobicContact CB-CB 3.82Å; A61-L104 HydrophobicContact CB-CD1 4.17Å; F100-L104 HydrophobicContact CD1-CG 4.44Å; F100-L104 HydrophobicContact CE1-CD1 4.04Å; F100-L104 HydrophobicContact CE1-CD2 3.69Å; F100-L104 HydrophobicContact CE1-CG 3.87Å; F100-L104 HydrophobicContact CE2-CD2 4.27Å; F100-L104 HydrophobicContact CZ-CD2 3.4Å; F100-L104 HydrophobicContact CZ-CG 3.93Å; F100-L104 PolarHBondContact O-N 3.16Å; F100-L104 VanDerWaalsContact O-N 3.17Å; L104-F106 PolarHBondContact O-N 2.87Å; L104-W107 WeakPolarHBondContact O-CB 3.46Å; L104-W107 PolarHBondContact O-N 2.97Å; L104-W107 VanDerWaalsContact O-N 3.09Å; L104-A108 PolarHBondContact O-N 3.35Å; L104-F318 HydrophobicContact CD2-CB 4.19Å; L104-F318 HydrophobicContact CD2-CD1 4.47Å; L104-F318 HydrophobicContact CD2-CD2 3.35Å; L104-F318 HydrophobicContact CD2-CE2 3.7Å; L104-F318 HydrophobicContact CD2-CG 3.76Å; L104-F318 HydrophobicContact CD2-CZ 4.38Å |
| 105 | P | 89.2 | Confident | 85.2 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 25% | 0.253 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.2 | -31.9 | 176.8 | -29.1 | 37.7 | 0 | 0 | 0 | 113.9 | F58 A61 S101 L102 A108 V109 | F58-P105 HydrophobicContact CD1-CB 4.45Å; F58-P105 HydrophobicContact CE1-CB 3.84Å; F58-P105 HydrophobicContact CE1-CG 4.45Å; A61-P105 HydrophobicContact CB-CG 4.18Å; S101-P105 WeakPolarHBondContact O-CD 3.2Å; L102-P105 WeakPolarHBondContact O-CD 3.43Å; P105-A108 WeakPolarHBondContact O-CB 3.26Å; P105-A108 PolarHBondContact O-N 3.32Å; P105-V109 WeakPolarHBondContact O-CG2 3.43Å; P105-V109 PolarHBondContact O-N 2.87Å |
| 106 | F | 88.2 | Confident | 84.6 | Confident | 73 Ų | 73 | 35.6 Ų | 35.6 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.3 | -63.8 | -91.8 | 0 | 0 | 0 | 111.5 | A103 L104 A108 V109 D110 W117 F119 V127 | A103-F106 WeakPolarHBondContact O-CB 3.26Å; A103-F106 PolarHBondContact O-N 3.07Å; L104-F106 PolarHBondContact O-N 2.87Å; F106-A108 VanDerWaalsContact C-N 3.34Å; F106-V109 PolarHBondContact O-N 2.93Å; F106-D110 PolarHBondContact O-N 3.34Å; F106-W117 HydrophobicContact CB-CH2 3.8Å; F106-W117 HydrophobicContact CB-CZ3 4.33Å; F106-F119 HydrophobicContact CB-CE2 4.25Å; F106-F119 HydrophobicContact CD1-CB 4.48Å; F106-F119 AromaticContact CD1-CD1 3.86Å; F106-F119 HydrophobicContact CD1-CD1 3.86Å; F106-F119 AromaticContact CD1-CD2 3.77Å; F106-F119 HydrophobicContact CD1-CD2 3.77Å; F106-F119 AromaticContact CD1-CE1 3.91Å; F106-F119 HydrophobicContact CD1-CE1 3.91Å; F106-F119 AromaticContact CD1-CE2 3.83Å; F106-F119 HydrophobicContact CD1-CE2 3.83Å; F106-F119 AromaticContact CD1-CG 3.78Å; F106-F119 HydrophobicContact CD1-CG 3.78Å; F106-F119 AromaticContact CD1-CZ 3.89Å; F106-F119 HydrophobicContact CD1-CZ 3.89Å; F106-F119 AromaticContact CE1-CD1 3.94Å; F106-F119 HydrophobicContact CE1-CD1 3.94Å; F106-F119 HydrophobicContact CE1-CE1 4.1Å; F106-F119 HydrophobicContact CE1-CG 4.21Å; F106-F119 HydrophobicContact CE1-CZ 4.5Å; F106-F119 HydrophobicContact CG-CE2 4.49Å; F106-V127 HydrophobicContact CB-CG1 4.36Å; F106-V127 HydrophobicContact CB-CG2 3.84Å; F106-V127 HydrophobicContact CD1-CG2 4.39Å; F106-V127 HydrophobicContact CD2-CG2 4Å; F106-V127 HydrophobicContact CG-CG2 3.82Å |
| 107 | W | 84.1 | Confident | 84.3 | Confident | 43 Ų | 43 | 35.5 Ų | 35.5 | 16% | 0.163 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -34.1 | 172.3 | -69 | 112.9 | 0 | 0 | 0 | 112.5 | Y57 L104 V109 D110 I111 V127 T131 | Y57-W107 HydrophobicContact CD1-CB 3.9Å; Y57-W107 HydrophobicContact CE1-CB 3.68Å; L104-W107 WeakPolarHBondContact O-CB 3.46Å; L104-W107 PolarHBondContact O-N 2.97Å; L104-W107 VanDerWaalsContact O-N 3.09Å; W107-V109 VanDerWaalsContact C-N 3.34Å; W107-D110 PolarHBondContact O-N 3.42Å; W107-I111 VanDerWaalsContact O-CG1 3.3Å; W107-I111 WeakPolarHBondContact O-CG1 3.19Å; W107-I111 PolarHBondContact O-N 3.41Å; W107-V127 HydrophobicContact CD2-CG1 4.22Å; W107-V127 VanDerWaalsContact CE2-CG1 3.45Å; W107-V127 HydrophobicContact CG-CG1 4.34Å; W107-V127 HydrophobicContact CZ2-CG1 3.83Å; W107-T131 PolarHBondContact NE1-OG1 3.1Å |
| 108 | A | 85.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S54 Y57 F58 L104 P105 F106 I111 A112 | S54-A108 PolarHBondContact OG-O 3.26Å; Y57-A108 HydrophobicContact CG-CB 4.44Å; F58-A108 HydrophobicContact CD2-CB 3.9Å; F58-A108 HydrophobicContact CE2-CB 3.59Å; F58-A108 HydrophobicContact CZ-CB 3.99Å; L104-A108 PolarHBondContact O-N 3.35Å; P105-A108 WeakPolarHBondContact O-CB 3.26Å; P105-A108 PolarHBondContact O-N 3.32Å; F106-A108 VanDerWaalsContact C-N 3.34Å; A108-I111 PolarHBondContact O-N 2.96Å; A108-A112 WeakPolarHBondContact O-CB 3.44Å; A108-A112 PolarHBondContact O-N 3.37Å |
| 109 | V | 85.5 | Confident | 83.8 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 26% | 0.255 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.3 | -40.2 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | F58 P105 F106 W107 I111 A112 L113 P118 F119 | F58-V109 HydrophobicContact CZ-CG2 4.39Å; P105-V109 WeakPolarHBondContact O-CG2 3.43Å; P105-V109 PolarHBondContact O-N 2.87Å; F106-V109 PolarHBondContact O-N 2.93Å; W107-V109 VanDerWaalsContact C-N 3.34Å; V109-I111 VanDerWaalsContact C-N 3.34Å; V109-I111 PolarHBondContact O-N 3.17Å; V109-A112 PolarHBondContact O-N 3.31Å; V109-L113 HydrophobicContact CG1-CD1 3.66Å; V109-L113 HydrophobicContact CG1-CG 4.22Å; V109-L113 WeakPolarHBondContact O-CB 3.47Å; V109-L113 WeakPolarHBondContact O-CG 3.44Å; V109-L113 PolarHBondContact O-N 2.89Å; V109-P118 HydrophobicContact CG1-CG 4.06Å; V109-F119 HydrophobicContact CB-CE2 3.87Å; V109-F119 HydrophobicContact CB-CZ 3.75Å; V109-F119 HydrophobicContact CG1-CE2 3.8Å; V109-F119 HydrophobicContact CG1-CZ 3.63Å; V109-F119 HydrophobicContact CG2-CZ 4.08Å |
| 110 | D | 82.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.4 | -48.8 | 173.7 | -177.9 | 75.3 | 0 | 0 | 0 | 111.2 | F106 W107 L113 Y115 W117 | F106-D110 PolarHBondContact O-N 3.34Å; W107-D110 PolarHBondContact O-N 3.42Å; D110-L113 PolarHBondContact O-N 3.42Å; D110-Y115 WeakPolarHBondContact O-CA 3.39Å; D110-Y115 PolarHBondContact O-N 3.32Å; D110-W117 HydrophobicContact CB-CE3 3.91Å; D110-W117 HydrophobicContact CB-CZ3 4.19Å |
| 111 | I | 78.1 | Confident | 83.4 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 178.2 | -64.6 | 165.5 | 0 | 0 | 0 | 111.7 | R50 I53 Y57 W107 A108 V109 L113 D114 Y115 | R50-I111 HydrophobicContact CB-CG2 4.38Å; R50-I111 WeakPolarHBondContact CD-O 3.45Å; R50-I111 HydrophobicContact CG-CG2 4.41Å; I53-I111 HydrophobicContact CB-CG2 4.36Å; I53-I111 HydrophobicContact CG2-CD1 3.98Å; I53-I111 HydrophobicContact CG2-CG2 4.13Å; Y57-I111 HydrophobicContact CE1-CD1 4.01Å; Y57-I111 HydrophobicContact CE2-CD1 3.98Å; W107-I111 VanDerWaalsContact O-CG1 3.3Å; W107-I111 WeakPolarHBondContact O-CG1 3.19Å; W107-I111 PolarHBondContact O-N 3.41Å; A108-I111 PolarHBondContact O-N 2.96Å; V109-I111 VanDerWaalsContact C-N 3.34Å; V109-I111 PolarHBondContact O-N 3.17Å; I111-L113 VanDerWaalsContact C-N 3.26Å; I111-L113 PolarHBondContact O-N 3.34Å; I111-D114 PolarHBondContact O-N 3.4Å; I111-Y115 HydrophobicContact CG1-CE1 4.14Å |
| 112 | A | 81.6 | Confident | 83.3 | Confident | 52 Ų | 52 | 47 Ų | 47 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.2 | -31.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S54 A108 V109 D114 | S54-A112 PolarHBondContact OG-N 3.48Å; A108-A112 WeakPolarHBondContact O-CB 3.44Å; A108-A112 PolarHBondContact O-N 3.37Å; V109-A112 PolarHBondContact O-N 3.31Å; A112-D114 VanDerWaalsContact C-N 3.31Å |
| 113 | L | 79.2 | Confident | 83.1 | Confident | 83 Ų | 83 | 43.2 Ų | 43.2 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 29.9 | 179.8 | -60.4 | 174.8 | 0 | 0 | 0 | 112.6 | V109 D110 I111 Y115 S116 P118 | V109-L113 HydrophobicContact CG1-CD1 3.66Å; V109-L113 HydrophobicContact CG1-CG 4.22Å; V109-L113 WeakPolarHBondContact O-CB 3.47Å; V109-L113 WeakPolarHBondContact O-CG 3.44Å; V109-L113 PolarHBondContact O-N 2.89Å; D110-L113 PolarHBondContact O-N 3.42Å; I111-L113 VanDerWaalsContact C-N 3.26Å; I111-L113 PolarHBondContact O-N 3.34Å; L113-Y115 PolarHBondContact O-N 2.82Å; L113-S116 WeakPolarHBondContact CB-OG 3.4Å; L113-S116 VanDerWaalsContact O-CB 3.31Å; L113-S116 WeakPolarHBondContact O-CB 3.48Å; L113-S116 PolarHBondContact O-N 2.8Å; L113-S116 VanDerWaalsContact O-N 3.08Å; L113-S116 PolarHBondContact O-OG 3.28Å; L113-P118 HydrophobicContact CD1-CB 4.49Å; L113-P118 HydrophobicContact CD1-CG 3.87Å |
| 114 | D | 75.4 | Confident | 83 | Confident | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 45.4 | 178.7 | -160.8 | 36.1 | 0 | 0 | 0 | 113.6 | R50 I111 A112 S116 | R50-D114 IonicContact CZ-OD1 2.67Å; R50-D114 IonicContact NE-OD1 2.74Å; R50-D114 IonicContact NH1-OD1 3.6Å; R50-D114 PolarHBondContact NH1-OD1 2.87Å; I111-D114 PolarHBondContact O-N 3.4Å; A112-D114 VanDerWaalsContact C-N 3.31Å; D114-S116 PolarHBondContact O-N 3.04Å |
| 115 | Y | 72.5 | Confident | 83.1 | Confident | 82 Ų | 82 | 46.3 Ų | 46.3 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 22.9 | -177 | -54 | -84.5 | 0 | 0 | 0 | 114.1 | D110 I111 L113 A204 P311 | D110-Y115 WeakPolarHBondContact O-CA 3.39Å; D110-Y115 PolarHBondContact O-N 3.32Å; I111-Y115 HydrophobicContact CG1-CE1 4.14Å; L113-Y115 PolarHBondContact O-N 2.82Å; Y115-A204 WeakPolarHBondContact O-CB 3.37Å; Y115-P311 WeakPolarHBondContact OH-CG 3.13Å |
| 116 | S | 78.4 | Confident | 83 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | trans | -88.8 | 125.7 | 166.7 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | L113 D114 P118 T203 | L113-S116 WeakPolarHBondContact CB-OG 3.4Å; L113-S116 VanDerWaalsContact O-CB 3.31Å; L113-S116 WeakPolarHBondContact O-CB 3.48Å; L113-S116 PolarHBondContact O-N 2.8Å; L113-S116 VanDerWaalsContact O-N 3.08Å; L113-S116 PolarHBondContact O-OG 3.28Å; D114-S116 PolarHBondContact O-N 3.04Å; S116-P118 VanDerWaalsContact O-CD 3.24Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å; S116-T203 CarbonylContact C-O 3.51Å | ||
| 117 | W | 82.8 | Confident | 83 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | trans | -97.8 | 105.1 | -176.4 | -176.2 | -87.7 | 0 | 0 | 0 | 111.1 | F106 D110 F119 G120 A123 C124 V127 L194 T203 C205 | F106-W117 HydrophobicContact CB-CH2 3.8Å; F106-W117 HydrophobicContact CB-CZ3 4.33Å; D110-W117 HydrophobicContact CB-CE3 3.91Å; D110-W117 HydrophobicContact CB-CZ3 4.19Å; W117-F119 HydrophobicContact CD2-CD2 4.14Å; W117-F119 AromaticContact CE2-CD2 3.83Å; W117-F119 HydrophobicContact CE3-CD2 4.42Å; W117-F119 HydrophobicContact CH2-CD2 4.15Å; W117-F119 HydrophobicContact CZ2-CB 3.96Å; W117-F119 AromaticContact CZ2-CD2 3.83Å; W117-F119 HydrophobicContact CZ2-CD2 3.83Å; W117-F119 HydrophobicContact CZ2-CG 4.32Å; W117-F119 HydrophobicContact CZ3-CD2 4.43Å; W117-G120 PolarHBondContact NE1-O 3.19Å; W117-A123 VanDerWaalsContact CZ2-C 3.48Å; W117-A123 HydrophobicContact CZ2-CB 3.78Å; W117-C124 HydrophobicContact CD2-CB 4.43Å; W117-C124 HydrophobicContact CZ2-CB 4.18Å; W117-C124 VanDerWaalsContact CZ2-N 3.34Å; W117-V127 HydrophobicContact CH2-CB 3.96Å; W117-V127 HydrophobicContact CH2-CG1 4.06Å; W117-V127 HydrophobicContact CH2-CG2 3.98Å; W117-V127 HydrophobicContact CZ2-CG2 4.41Å; W117-L194 HydrophobicContact CB-CD2 4.22Å; W117-L194 HydrophobicContact CG-CD2 4.1Å; W117-T203 WeakPolarHBondContact CA-O 3.47Å; W117-T203 WeakPolarHBondContact CB-O 3.33Å; W117-T203 PolarHBondContact N-O 3.43Å; W117-T203 PolarHBondContact O-OG1 3.43Å; W117-C205 HydrophobicContact CB-CB 4.03Å; W117-C205 HydrophobicContact CD2-CB 3.72Å; W117-C205 HydrophobicContact CE3-CB 3.81Å; W117-C205 HydrophobicContact CG-CB 3.81Å | ||
| 118 | P | 83.3 | Confident | 83 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | trans | -86.6 | -13 | -176.6 | 34.2 | -37.4 | 0 | 0 | 0 | 114 | V109 L113 S116 G120 | V109-P118 HydrophobicContact CG1-CG 4.06Å; L113-P118 HydrophobicContact CD1-CB 4.49Å; L113-P118 HydrophobicContact CD1-CG 3.87Å; S116-P118 VanDerWaalsContact O-CD 3.24Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-G120 VanDerWaalsContact C-N 3.31Å; P118-G120 PolarHBondContact O-N 3.04Å | ||
| 119 | F | 84.1 | Confident | 83.1 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -85.3 | 2.8 | -167.1 | -51.4 | -77.8 | 0 | 0 | 0 | 114.9 | F106 V109 W117 A123 | F106-F119 HydrophobicContact CB-CE2 4.25Å; F106-F119 HydrophobicContact CD1-CB 4.48Å; F106-F119 AromaticContact CD1-CD1 3.86Å; F106-F119 HydrophobicContact CD1-CD1 3.86Å; F106-F119 AromaticContact CD1-CD2 3.77Å; F106-F119 HydrophobicContact CD1-CD2 3.77Å; F106-F119 AromaticContact CD1-CE1 3.91Å; F106-F119 HydrophobicContact CD1-CE1 3.91Å; F106-F119 AromaticContact CD1-CE2 3.83Å; F106-F119 HydrophobicContact CD1-CE2 3.83Å; F106-F119 AromaticContact CD1-CG 3.78Å; F106-F119 HydrophobicContact CD1-CG 3.78Å; F106-F119 AromaticContact CD1-CZ 3.89Å; F106-F119 HydrophobicContact CD1-CZ 3.89Å; F106-F119 AromaticContact CE1-CD1 3.94Å; F106-F119 HydrophobicContact CE1-CD1 3.94Å; F106-F119 HydrophobicContact CE1-CE1 4.1Å; F106-F119 HydrophobicContact CE1-CG 4.21Å; F106-F119 HydrophobicContact CE1-CZ 4.5Å; F106-F119 HydrophobicContact CG-CE2 4.49Å; V109-F119 HydrophobicContact CB-CE2 3.87Å; V109-F119 HydrophobicContact CB-CZ 3.75Å; V109-F119 HydrophobicContact CG1-CE2 3.8Å; V109-F119 HydrophobicContact CG1-CZ 3.63Å; V109-F119 HydrophobicContact CG2-CZ 4.08Å; W117-F119 HydrophobicContact CD2-CD2 4.14Å; W117-F119 AromaticContact CE2-CD2 3.83Å; W117-F119 HydrophobicContact CE3-CD2 4.42Å; W117-F119 HydrophobicContact CH2-CD2 4.15Å; W117-F119 HydrophobicContact CZ2-CB 3.96Å; W117-F119 AromaticContact CZ2-CD2 3.83Å; W117-F119 HydrophobicContact CZ2-CD2 3.83Å; W117-F119 HydrophobicContact CZ2-CG 4.32Å; W117-F119 HydrophobicContact CZ3-CD2 4.43Å; F119-A123 HydrophobicContact CB-CB 3.45Å; F119-A123 VanDerWaalsContact CB-CB 3.45Å; F119-A123 WeakPolarHBondContact O-CB 3.49Å |
| 120 | G | 85 | Confident | 83.3 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 72.8 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | W117 P118 A122 A123 C124 | W117-G120 PolarHBondContact NE1-O 3.19Å; P118-G120 VanDerWaalsContact C-N 3.31Å; P118-G120 PolarHBondContact O-N 3.04Å; G120-A122 PolarHBondContact O-N 3.41Å; G120-A123 PolarHBondContact O-N 3.07Å; G120-C124 PolarHBondContact O-N 3.25Å |
| 121 | L | 83.8 | Confident | 83.3 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -38 | -168.3 | -176.3 | 63.3 | 0 | 0 | 0 | 113.1 | C124 K125 D193 L194 | L121-C124 PolarHBondContact O-N 3.43Å; L121-K125 HydrophobicContact CD1-CD 4.48Å; L121-K125 HydrophobicContact CD1-CG 4.45Å; L121-K125 HydrophobicContact CG-CD 4.35Å; L121-K125 WeakPolarHBondContact O-CG 2.98Å; L121-K125 PolarHBondContact O-N 3.25Å; L121-D193 WeakPolarHBondContact CD1-OD1 3.5Å; L121-L194 HydrophobicContact CB-CD1 3.94Å; L121-L194 HydrophobicContact CB-CG 4.4Å; L121-L194 HydrophobicContact CD1-CG 4.13Å |
| 122 | A | 86.5 | Confident | 83.4 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G120 K125 A126 | G120-A122 PolarHBondContact O-N 3.41Å; A122-K125 PolarHBondContact O-N 3.48Å; A122-A126 VanDerWaalsContact O-CB 3.31Å; A122-A126 WeakPolarHBondContact O-CB 3.28Å; A122-A126 PolarHBondContact O-N 2.79Å |
| 123 | A | 86.4 | Confident | 83.6 | Confident | 20 Ų | 20 | 42 Ų | 42 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W117 F119 G120 K125 A126 V127 | W117-A123 VanDerWaalsContact CZ2-C 3.48Å; W117-A123 HydrophobicContact CZ2-CB 3.78Å; F119-A123 HydrophobicContact CB-CB 3.45Å; F119-A123 VanDerWaalsContact CB-CB 3.45Å; F119-A123 WeakPolarHBondContact O-CB 3.49Å; G120-A123 PolarHBondContact O-N 3.07Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 3.11Å; A123-A126 PolarHBondContact O-N 2.76Å; A123-V127 VanDerWaalsContact O-CB 3.28Å; A123-V127 WeakPolarHBondContact O-CB 3.38Å; A123-V127 VanDerWaalsContact O-CG2 3.3Å; A123-V127 WeakPolarHBondContact O-CG2 3.12Å; A123-V127 PolarHBondContact O-N 2.84Å |
| 124 | C | 85.4 | Confident | 84 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 177 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | W117 G120 L121 S128 L194 C205 | W117-C124 HydrophobicContact CD2-CB 4.43Å; W117-C124 HydrophobicContact CZ2-CB 4.18Å; W117-C124 VanDerWaalsContact CZ2-N 3.34Å; G120-C124 PolarHBondContact O-N 3.25Å; L121-C124 PolarHBondContact O-N 3.43Å; C124-S128 WeakPolarHBondContact O-CB 3.02Å; C124-S128 PolarHBondContact O-N 3.2Å; C124-S128 PolarHBondContact O-OG 3.38Å; C124-L194 HydrophobicContact CB-CD2 4.39Å; C124-C205 VanDerWaalsContact CA-SG 3.52Å; C124-C205 HydrophobicContact CB-CB 3.83Å; C124-C205 WeakPolarHBondContact CB-SG 3.27Å; C124-C205 WeakPolarHBondContact SG-CB 3.43Å; C124-C205 CovalentContact SG-SG 2.03Å; C124-C205 PolarHBondContact SG-SG 2.97Å |
| 125 | K | 87.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 34.1 Ų | 34.1 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.5 | -44.6 | 176.2 | -69.3 | -176.1 | 174.9 | 174.7 | 0 | 112.6 | L121 A122 A123 L129 A189 A192 | L121-K125 HydrophobicContact CD1-CD 4.48Å; L121-K125 HydrophobicContact CD1-CG 4.45Å; L121-K125 HydrophobicContact CG-CD 4.35Å; L121-K125 WeakPolarHBondContact O-CG 2.98Å; L121-K125 PolarHBondContact O-N 3.25Å; A122-K125 PolarHBondContact O-N 3.48Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 3.11Å; K125-L129 VanDerWaalsContact O-CB 3.32Å; K125-L129 WeakPolarHBondContact O-CB 2.99Å; K125-L129 PolarHBondContact O-N 3Å; K125-A189 WeakPolarHBondContact CG-O 3.16Å; K125-A192 WeakPolarHBondContact CE-O 3.41Å; K125-A192 HydrophobicContact CG-CB 4.28Å |
| 126 | A | 88.1 | Confident | 84.6 | Confident | 46 Ų | 46 | 30.5 Ų | 30.5 | 38% | 0.38 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.4 | -48.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A122 A123 S128 L129 L130 | A122-A126 VanDerWaalsContact O-CB 3.31Å; A122-A126 WeakPolarHBondContact O-CB 3.28Å; A122-A126 PolarHBondContact O-N 2.79Å; A123-A126 PolarHBondContact O-N 2.76Å; A126-S128 PolarHBondContact O-N 2.9Å; A126-L129 WeakPolarHBondContact O-CB 3.3Å; A126-L129 PolarHBondContact O-N 3.28Å; A126-L130 WeakPolarHBondContact O-CB 3.26Å; A126-L130 VanDerWaalsContact O-CG 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.04Å; A126-L130 PolarHBondContact O-N 3.47Å |
| 127 | V | 88 | Confident | 84.9 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 179 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A103 F106 W107 W117 A123 L129 L130 T131 | A103-V127 HydrophobicContact CB-CG1 4.34Å; A103-V127 HydrophobicContact CB-CG2 4.49Å; F106-V127 HydrophobicContact CB-CG1 4.36Å; F106-V127 HydrophobicContact CB-CG2 3.84Å; F106-V127 HydrophobicContact CD1-CG2 4.39Å; F106-V127 HydrophobicContact CD2-CG2 4Å; F106-V127 HydrophobicContact CG-CG2 3.82Å; W107-V127 HydrophobicContact CD2-CG1 4.22Å; W107-V127 VanDerWaalsContact CE2-CG1 3.45Å; W107-V127 HydrophobicContact CG-CG1 4.34Å; W107-V127 HydrophobicContact CZ2-CG1 3.83Å; W117-V127 HydrophobicContact CH2-CB 3.96Å; W117-V127 HydrophobicContact CH2-CG1 4.06Å; W117-V127 HydrophobicContact CH2-CG2 3.98Å; W117-V127 HydrophobicContact CZ2-CG2 4.41Å; A123-V127 VanDerWaalsContact O-CB 3.28Å; A123-V127 WeakPolarHBondContact O-CB 3.38Å; A123-V127 VanDerWaalsContact O-CG2 3.3Å; A123-V127 WeakPolarHBondContact O-CG2 3.12Å; A123-V127 PolarHBondContact O-N 2.84Å; V127-L129 VanDerWaalsContact C-N 3.34Å; V127-L129 PolarHBondContact O-N 2.98Å; V127-L130 PolarHBondContact O-N 2.86Å; V127-T131 PolarHBondContact O-N 3.45Å; V127-T131 PolarHBondContact O-OG1 3.31Å |
| 128 | S | 83.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 172.9 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | C124 A126 G132 | C124-S128 WeakPolarHBondContact O-CB 3.02Å; C124-S128 PolarHBondContact O-N 3.2Å; C124-S128 PolarHBondContact O-OG 3.38Å; A126-S128 PolarHBondContact O-N 2.9Å; S128-G132 PolarHBondContact O-N 3.44Å; S128-G132 VanDerWaalsContact O-N 3.13Å |
| 129 | L | 87.3 | Confident | 84.6 | Confident | 44 Ų | 44 | 25.8 Ų | 25.8 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 175.6 | -175.3 | 63.2 | 0 | 0 | 0 | 111.1 | K125 A126 V127 T131 G132 L133 L182 A185 V186 A189 | K125-L129 VanDerWaalsContact O-CB 3.32Å; K125-L129 WeakPolarHBondContact O-CB 2.99Å; K125-L129 PolarHBondContact O-N 3Å; A126-L129 WeakPolarHBondContact O-CB 3.3Å; A126-L129 PolarHBondContact O-N 3.28Å; V127-L129 VanDerWaalsContact C-N 3.34Å; V127-L129 PolarHBondContact O-N 2.98Å; L129-T131 VanDerWaalsContact C-N 3.35Å; L129-T131 PolarHBondContact O-N 3Å; L129-G132 PolarHBondContact O-N 2.84Å; L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 PolarHBondContact O-N 3.36Å; L129-L182 HydrophobicContact CD1-CD1 4.2Å; L129-L182 HydrophobicContact CD2-CD1 4.41Å; L129-A185 HydrophobicContact CD1-CB 3.88Å; L129-V186 HydrophobicContact CD1-CG2 4.35Å; L129-A189 HydrophobicContact CB-CB 3.7Å; L129-A189 HydrophobicContact CD1-CB 3.84Å; L129-A189 HydrophobicContact CG-CB 4.26Å |
| 130 | L | 88.8 | Confident | 84.5 | Confident | 48 Ų | 48 | 24.6 Ų | 24.6 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.9 | -41.9 | -179.5 | -72.2 | 175.3 | 0 | 0 | 0 | 111.6 | L99 A103 A126 V127 L133 N134 | L99-L130 HydrophobicContact CB-CD2 4.24Å; A103-L130 HydrophobicContact CB-CB 4.1Å; A103-L130 HydrophobicContact CB-CD1 3.95Å; A126-L130 WeakPolarHBondContact O-CB 3.26Å; A126-L130 VanDerWaalsContact O-CG 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.04Å; A126-L130 PolarHBondContact O-N 3.47Å; V127-L130 PolarHBondContact O-N 2.86Å; L130-L133 PolarHBondContact O-N 3.49Å; L130-N134 WeakPolarHBondContact O-CB 3.23Å; L130-N134 PolarHBondContact O-N 3.33Å |
| 131 | T | 83.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 23.2 Ų | 23.2 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.6 | -52.4 | 173 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | F100 W107 V127 L129 N134 V135 F318 | F100-T131 HydrophobicContact CE2-CG2 4.02Å; W107-T131 PolarHBondContact NE1-OG1 3.1Å; V127-T131 PolarHBondContact O-N 3.45Å; V127-T131 PolarHBondContact O-OG1 3.31Å; L129-T131 VanDerWaalsContact C-N 3.35Å; L129-T131 PolarHBondContact O-N 3Å; T131-N134 PolarHBondContact O-N 3.39Å; T131-V135 VanDerWaalsContact O-CG2 3.3Å; T131-V135 WeakPolarHBondContact O-CG2 3.42Å; T131-V135 PolarHBondContact O-N 3.07Å; T131-F318 HydrophobicContact CG2-CE1 4.47Å |
| 132 | G | 80.2 | Confident | 84 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S128 L129 N134 V135 F136 | S128-G132 PolarHBondContact O-N 3.44Å; S128-G132 VanDerWaalsContact O-N 3.13Å; L129-G132 PolarHBondContact O-N 2.84Å; G132-N134 VanDerWaalsContact C-N 3.28Å; G132-N134 PolarHBondContact O-N 3Å; G132-V135 PolarHBondContact O-N 2.97Å; G132-F136 WeakPolarHBondContact O-CD2 3.22Å; G132-F136 PolarHBondContact O-N 2.96Å |
| 133 | L | 86.9 | Confident | 83.4 | Confident | 20 Ų | 20 | 18.1 Ų | 18.1 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.1 | -42.7 | -179.5 | -176.9 | 65.2 | 0 | 0 | 0 | 111.3 | L129 L130 F136 A137 W178 A181 L182 A185 | L129-L133 WeakPolarHBondContact O-CB 3.36Å; L129-L133 PolarHBondContact O-N 3.36Å; L130-L133 PolarHBondContact O-N 3.49Å; L133-F136 PolarHBondContact O-N 3.48Å; L133-A137 WeakPolarHBondContact O-CB 3.31Å; L133-A137 PolarHBondContact O-N 3.35Å; L133-W178 HydrophobicContact CD1-CE3 4.19Å; L133-W178 HydrophobicContact CD1-CZ3 4.18Å; L133-W178 HydrophobicContact CD2-CZ3 3.91Å; L133-W178 HydrophobicContact CG-CZ3 4.04Å; L133-A181 HydrophobicContact CD1-CB 3.86Å; L133-L182 HydrophobicContact CD1-CB 4.35Å; L133-L182 HydrophobicContact CD1-CD1 4.39Å; L133-A185 HydrophobicContact CB-CB 4.22Å |
| 134 | N | 86.6 | Confident | 83 | Confident | 7 Ų | 7 | 17.7 Ų | 17.7 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 177.9 | -171.6 | 49 | 0 | 0 | 0 | 112.4 | A96 D97 F100 L130 T131 G132 F136 A137 S138 | A96-N134 VanDerWaalsContact C-OD1 3.23Å; A96-N134 PolarHBondContact O-OD1 2.83Å; D97-N134 PolarHBondContact N-OD1 3.39Å; D97-N134 PolarHBondContact OD1-OD1 3.45Å; F100-N134 HydrophobicContact CB-CB 3.67Å; F100-N134 VanDerWaalsContact CB-CG 3.44Å; F100-N134 WeakPolarHBondContact CD1-ND2 3.36Å; F100-N134 HydrophobicContact CD2-CB 4.05Å; F100-N134 HydrophobicContact CG-CB 3.86Å; F100-N134 WeakPolarHBondContact CG-ND2 3.31Å; L130-N134 WeakPolarHBondContact O-CB 3.23Å; L130-N134 PolarHBondContact O-N 3.33Å; T131-N134 PolarHBondContact O-N 3.39Å; G132-N134 VanDerWaalsContact C-N 3.28Å; G132-N134 PolarHBondContact O-N 3Å; N134-F136 VanDerWaalsContact C-N 3.32Å; N134-F136 PolarHBondContact O-N 3.11Å; N134-A137 PolarHBondContact O-N 3.08Å; N134-S138 WeakPolarHBondContact O-CB 3.33Å; N134-S138 PolarHBondContact O-N 3.44Å; N134-S138 PolarHBondContact O-OG 3.19Å; N134-S138 VanDerWaalsContact O-OG 3.04Å; N134-S138 PolarHBondContact OD1-OG 2.85Å |
| 135 | V | 78.6 | Confident | 82.5 | Confident | 9 Ų | 9 | 18 Ų | 18 | 6% | 0.055 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.6 | -49.3 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 111 | T131 G132 C139 I235 W278 | T131-V135 VanDerWaalsContact O-CG2 3.3Å; T131-V135 WeakPolarHBondContact O-CG2 3.42Å; T131-V135 PolarHBondContact O-N 3.07Å; G132-V135 PolarHBondContact O-N 2.97Å; V135-C139 WeakPolarHBondContact O-CB 3.49Å; V135-C139 PolarHBondContact O-N 3.27Å; V135-C139 VanDerWaalsContact O-N 3.16Å; V135-I235 HydrophobicContact CG1-CD1 4.02Å; V135-W278 HydrophobicContact CB-CH2 4.21Å; V135-W278 HydrophobicContact CG1-CH2 4.18Å; V135-W278 HydrophobicContact CG1-CZ2 4.42Å; V135-W278 HydrophobicContact CG1-CZ3 4.2Å; V135-W278 HydrophobicContact CG2-CH2 3.1Å; V135-W278 HydrophobicContact CG2-CZ2 3.73Å; V135-W278 HydrophobicContact CG2-CZ3 3.65Å |
| 136 | F | 81.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.2 | -45.1 | -176.1 | -62.7 | -55 | 0 | 0 | 0 | 112.5 | G132 L133 N134 S138 C139 F140 A181 V184 A185 P231 | G132-F136 WeakPolarHBondContact O-CD2 3.22Å; G132-F136 PolarHBondContact O-N 2.96Å; L133-F136 PolarHBondContact O-N 3.48Å; N134-F136 VanDerWaalsContact C-N 3.32Å; N134-F136 PolarHBondContact O-N 3.11Å; F136-S138 PolarHBondContact O-N 3.45Å; F136-C139 PolarHBondContact O-N 2.95Å; F136-F140 HydrophobicContact CB-CE2 4.23Å; F136-F140 WeakPolarHBondContact O-CB 3.45Å; F136-F140 VanDerWaalsContact O-CD2 3.26Å; F136-F140 WeakPolarHBondContact O-CD2 3.17Å; F136-F140 VanDerWaalsContact O-CG 3.26Å; F136-F140 WeakPolarHBondContact O-CG 3.37Å; F136-F140 PolarHBondContact O-N 2.82Å; F136-A181 HydrophobicContact CB-CB 3.86Å; F136-V184 HydrophobicContact CD1-CG1 3.9Å; F136-V184 HydrophobicContact CD2-CB 4.13Å; F136-V184 HydrophobicContact CD2-CG1 3.89Å; F136-V184 HydrophobicContact CE1-CG1 3.6Å; F136-V184 HydrophobicContact CE2-CB 4.25Å; F136-V184 HydrophobicContact CE2-CG1 3.59Å; F136-V184 HydrophobicContact CG-CB 4.31Å; F136-V184 HydrophobicContact CG-CG1 4.06Å; F136-V184 HydrophobicContact CZ-CG1 3.44Å; F136-V184 VanDerWaalsContact CZ-CG1 3.44Å; F136-A185 HydrophobicContact CD2-CB 4.11Å; F136-A185 HydrophobicContact CE2-CB 4.47Å; F136-P231 HydrophobicContact CE1-CB 3.82Å; F136-P231 HydrophobicContact CE1-CG 4.41Å; F136-P231 HydrophobicContact CZ-CB 3.83Å; F136-P231 HydrophobicContact CZ-CG 3.97Å |
| 137 | A | 85.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A96 L133 N134 C139 F140 F141 W178 A181 | A96-A137 HydrophobicContact CB-CB 4Å; L133-A137 WeakPolarHBondContact O-CB 3.31Å; L133-A137 PolarHBondContact O-N 3.35Å; N134-A137 PolarHBondContact O-N 3.08Å; A137-C139 PolarHBondContact O-N 3.46Å; A137-F140 PolarHBondContact O-N 2.94Å; A137-F141 HydrophobicContact CB-CD2 4.22Å; A137-F141 HydrophobicContact CB-CE2 4.13Å; A137-F141 WeakPolarHBondContact O-CB 3.34Å; A137-F141 WeakPolarHBondContact O-CD2 3.44Å; A137-F141 PolarHBondContact O-N 3.39Å; A137-W178 HydrophobicContact CB-CZ3 4.44Å; A137-A181 HydrophobicContact CB-CB 4.18Å |
| 138 | S | 82.2 | Confident | 80 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | -179.1 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | L93 D97 N134 F136 L142 | L93-S138 VanDerWaalsContact CD1-CA 3.46Å; L93-S138 VanDerWaalsContact CD1-OG 3.24Å; L93-S138 WeakPolarHBondContact CD1-OG 3.39Å; D97-S138 PolarHBondContact OD1-OG 3.49Å; N134-S138 WeakPolarHBondContact O-CB 3.33Å; N134-S138 PolarHBondContact O-N 3.44Å; N134-S138 PolarHBondContact O-OG 3.19Å; N134-S138 VanDerWaalsContact O-OG 3.04Å; N134-S138 PolarHBondContact OD1-OG 2.85Å; F136-S138 PolarHBondContact O-N 3.45Å; S138-L142 WeakPolarHBondContact O-CB 3.44Å; S138-L142 WeakPolarHBondContact O-CD1 3.2Å; S138-L142 WeakPolarHBondContact O-CG 3.49Å; S138-L142 PolarHBondContact O-N 2.81Å |
| 139 | C | 76.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 174 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | V135 F136 A137 L142 T143 S238 | V135-C139 WeakPolarHBondContact O-CB 3.49Å; V135-C139 PolarHBondContact O-N 3.27Å; V135-C139 VanDerWaalsContact O-N 3.16Å; F136-C139 PolarHBondContact O-N 2.95Å; A137-C139 PolarHBondContact O-N 3.46Å; C139-L142 PolarHBondContact O-N 2.89Å; C139-T143 PolarHBondContact O-N 3.24Å; C139-T143 PolarHBondContact O-OG1 3.03Å; C139-S238 PolarHBondContact SG-OG 3.42Å |
| 140 | F | 82.6 | Confident | 77.9 | Confident | 52 Ų | 52 | 23.8 Ų | 23.8 | 23% | 0.228 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | -179.3 | -67.5 | -29.2 | 0 | 0 | 0 | 112.7 | F136 A137 T143 A144 I177 A181 I234 | F136-F140 HydrophobicContact CB-CE2 4.23Å; F136-F140 WeakPolarHBondContact O-CB 3.45Å; F136-F140 VanDerWaalsContact O-CD2 3.26Å; F136-F140 WeakPolarHBondContact O-CD2 3.17Å; F136-F140 VanDerWaalsContact O-CG 3.26Å; F136-F140 WeakPolarHBondContact O-CG 3.37Å; F136-F140 PolarHBondContact O-N 2.82Å; A137-F140 PolarHBondContact O-N 2.94Å; F140-T143 PolarHBondContact O-N 3.3Å; F140-A144 WeakPolarHBondContact O-CB 3.31Å; F140-A144 PolarHBondContact O-N 3.24Å; F140-I177 HydrophobicContact CB-CB 4.43Å; F140-I177 HydrophobicContact CB-CG1 4.26Å; F140-I177 HydrophobicContact CB-CG2 3.54Å; F140-I177 HydrophobicContact CD2-CG2 4.37Å; F140-I177 HydrophobicContact CG-CG2 4.46Å; F140-A181 HydrophobicContact CD2-CB 4.08Å; F140-A181 HydrophobicContact CE2-CB 4.26Å; F140-I234 HydrophobicContact CD1-CG2 4.43Å; F140-I234 HydrophobicContact CE1-CG2 3.43Å; F140-I234 VanDerWaalsContact CE1-CG2 3.43Å; F140-I234 HydrophobicContact CZ-CG2 3.78Å |
| 141 | F | 83 | Confident | 76.8 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 175.6 | -77.4 | -57.7 | 0 | 0 | 0 | 112.4 | F89 N92 L93 A137 T143 A144 M145 T174 I177 W178 | F89-F141 HydrophobicContact CB-CD1 4.21Å; F89-F141 HydrophobicContact CD1-CD1 4.16Å; F89-F141 HydrophobicContact CD1-CE1 4.27Å; F89-F141 HydrophobicContact CG-CD1 4.35Å; N92-F141 HydrophobicContact CB-CD1 4.26Å; N92-F141 HydrophobicContact CB-CD2 4.41Å; N92-F141 HydrophobicContact CB-CE1 3.6Å; N92-F141 HydrophobicContact CB-CE2 3.78Å; N92-F141 HydrophobicContact CB-CZ 3.35Å; L93-F141 HydrophobicContact CB-CB 4.32Å; L93-F141 HydrophobicContact CD1-CB 4.32Å; A137-F141 HydrophobicContact CB-CD2 4.22Å; A137-F141 HydrophobicContact CB-CE2 4.13Å; A137-F141 WeakPolarHBondContact O-CB 3.34Å; A137-F141 WeakPolarHBondContact O-CD2 3.44Å; A137-F141 PolarHBondContact O-N 3.39Å; F141-T143 VanDerWaalsContact C-N 3.32Å; F141-T143 PolarHBondContact O-N 2.91Å; F141-A144 PolarHBondContact O-N 2.71Å; F141-M145 HydrophobicContact CB-CE 4.41Å; F141-M145 WeakPolarHBondContact O-CB 3.41Å; F141-M145 WeakPolarHBondContact O-CE 3.49Å; F141-M145 VanDerWaalsContact O-CG 3.31Å; F141-M145 WeakPolarHBondContact O-CG 3.31Å; F141-M145 PolarHBondContact O-N 2.9Å; F141-T174 HydrophobicContact CE1-CG2 4.12Å; F141-T174 HydrophobicContact CZ-CG2 4.14Å; F141-I177 HydrophobicContact CD1-CD1 3.95Å; F141-I177 HydrophobicContact CD1-CG2 4.11Å; F141-I177 HydrophobicContact CD2-CG2 4.14Å; F141-I177 HydrophobicContact CE1-CB 4.21Å; F141-I177 HydrophobicContact CE1-CD1 3.96Å; F141-I177 HydrophobicContact CE1-CG2 3.8Å; F141-I177 HydrophobicContact CE2-CG2 3.84Å; F141-I177 HydrophobicContact CG-CG2 4.23Å; F141-I177 HydrophobicContact CZ-CB 4.27Å; F141-I177 HydrophobicContact CZ-CG2 3.63Å; F141-W178 HydrophobicContact CE2-CZ2 4.22Å; F141-W178 AromaticContact CZ-NE1 3.65Å |
| 142 | L | 75.8 | Confident | 75.9 | Confident | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.068 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 173.8 | -72.9 | 170.2 | 0 | 0 | 0 | 112.3 | L93 S138 C139 M145 S146 V270 | L93-L142 HydrophobicContact CD2-CD2 4.41Å; S138-L142 WeakPolarHBondContact O-CB 3.44Å; S138-L142 WeakPolarHBondContact O-CD1 3.2Å; S138-L142 WeakPolarHBondContact O-CG 3.49Å; S138-L142 PolarHBondContact O-N 2.81Å; C139-L142 PolarHBondContact O-N 2.89Å; L142-M145 HydrophobicContact CD2-CE 3.94Å; L142-M145 HydrophobicContact CG-CE 4.46Å; L142-S146 PolarHBondContact O-N 3.5Å; L142-S146 VanDerWaalsContact O-N 3.14Å; L142-S146 PolarHBondContact O-OG 3.37Å; L142-V270 HydrophobicContact CD1-CG1 4.29Å; L142-V270 HydrophobicContact CD2-CG1 3.68Å |
| 143 | T | 74.6 | Confident | 75 | Confident | 29 Ų | 29 | 31 Ų | 31 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.8 | -48.2 | 176 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | C139 F140 F141 M145 S146 L147 S238 | C139-T143 PolarHBondContact O-N 3.24Å; C139-T143 PolarHBondContact O-OG1 3.03Å; F140-T143 PolarHBondContact O-N 3.3Å; F141-T143 VanDerWaalsContact C-N 3.32Å; F141-T143 PolarHBondContact O-N 2.91Å; T143-M145 VanDerWaalsContact C-N 3.35Å; T143-M145 PolarHBondContact O-N 3.44Å; T143-S146 WeakPolarHBondContact O-CB 3.27Å; T143-S146 PolarHBondContact O-N 2.96Å; T143-S146 VanDerWaalsContact O-N 3.08Å; T143-L147 HydrophobicContact CG2-CD1 4.24Å; T143-L147 WeakPolarHBondContact O-CG 3.37Å; T143-L147 PolarHBondContact O-N 3.48Å; T143-S238 WeakPolarHBondContact OG1-CB 3.35Å |
| 144 | A | 77.8 | Confident | 73.6 | Confident | 10 Ų | 10 | 30.7 Ų | 30.7 | 8% | 0.083 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F89 F140 F141 S146 L147 T148 I177 | F89-A144 HydrophobicContact CD2-CB 4.12Å; F89-A144 HydrophobicContact CE2-CB 3.79Å; F89-A144 HydrophobicContact CZ-CB 4.23Å; F140-A144 WeakPolarHBondContact O-CB 3.31Å; F140-A144 PolarHBondContact O-N 3.24Å; F141-A144 PolarHBondContact O-N 2.71Å; A144-S146 VanDerWaalsContact C-N 3.31Å; A144-S146 PolarHBondContact O-N 3.39Å; A144-L147 PolarHBondContact O-N 3.17Å; A144-T148 WeakPolarHBondContact O-CB 3.47Å; A144-T148 PolarHBondContact O-N 2.99Å; A144-T148 PolarHBondContact O-OG1 3.49Å; A144-I177 HydrophobicContact CB-CD1 3.59Å |
| 145 | M | 75.4 | Confident | 72.2 | Confident | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 172.5 | -80 | -170 | -85 | 0 | 0 | 112.2 | I86 F89 V90 L93 F141 L142 T143 R149 Y328 | I86-M145 HydrophobicContact CG2-CG 4.3Å; I86-M145 HydrophobicContact CG2-SD 4.2Å; F89-M145 HydrophobicContact CB-CG 3.55Å; F89-M145 HydrophobicContact CB-SD 4.2Å; F89-M145 HydrophobicContact CD2-CG 3.83Å; F89-M145 HydrophobicContact CG-CG 4.2Å; V90-M145 HydrophobicContact CG2-SD 3.6Å; L93-M145 HydrophobicContact CD2-CE 3.74Å; F141-M145 HydrophobicContact CB-CE 4.41Å; F141-M145 WeakPolarHBondContact O-CB 3.41Å; F141-M145 WeakPolarHBondContact O-CE 3.49Å; F141-M145 VanDerWaalsContact O-CG 3.31Å; F141-M145 WeakPolarHBondContact O-CG 3.31Å; F141-M145 PolarHBondContact O-N 2.9Å; L142-M145 HydrophobicContact CD2-CE 3.94Å; L142-M145 HydrophobicContact CG-CE 4.46Å; T143-M145 VanDerWaalsContact C-N 3.35Å; T143-M145 PolarHBondContact O-N 3.44Å; M145-R149 WeakPolarHBondContact O-CG 3.24Å; M145-R149 PolarHBondContact O-N 2.99Å; M145-Y328 WeakPolarHBondContact CE-OH 3.32Å |
| 146 | S | 67.9 | Low | 71.1 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | 179 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | L142 T143 A144 R149 Y150 L242 | L142-S146 PolarHBondContact O-N 3.5Å; L142-S146 VanDerWaalsContact O-N 3.14Å; L142-S146 PolarHBondContact O-OG 3.37Å; T143-S146 WeakPolarHBondContact O-CB 3.27Å; T143-S146 PolarHBondContact O-N 2.96Å; T143-S146 VanDerWaalsContact O-N 3.08Å; A144-S146 VanDerWaalsContact C-N 3.31Å; A144-S146 PolarHBondContact O-N 3.39Å; S146-R149 PolarHBondContact O-N 3.36Å; S146-Y150 PolarHBondContact O-N 2.91Å; S146-Y150 VanDerWaalsContact O-N 3.16Å; S146-L242 WeakPolarHBondContact OG-CD1 3.4Å |
| 147 | L | 71 | Confident | 69.9 | Low | 101 Ų | 101 | 41.7 Ų | 41.7 | 53% | 0.529 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.7 | -69.4 | 174 | 0 | 0 | 0 | 112.6 | T143 A144 R149 Y150 C151 | T143-L147 HydrophobicContact CG2-CD1 4.24Å; T143-L147 WeakPolarHBondContact O-CG 3.37Å; T143-L147 PolarHBondContact O-N 3.48Å; A144-L147 PolarHBondContact O-N 3.17Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.13Å; L147-Y150 VanDerWaalsContact O-CB 3.31Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.39Å; L147-Y150 VanDerWaalsContact O-N 3.15Å; L147-C151 PolarHBondContact O-N 2.89Å |
| 148 | T | 70.6 | Confident | 68.4 | Low | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 178.5 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | T85 I86 F89 A144 Y150 C151 Y152 | T85-T148 HydrophobicContact CG2-CG2 3.69Å; I86-T148 HydrophobicContact CG1-CG2 4.09Å; F89-T148 WeakPolarHBondContact CE2-OG1 3.29Å; A144-T148 WeakPolarHBondContact O-CB 3.47Å; A144-T148 PolarHBondContact O-N 2.99Å; A144-T148 PolarHBondContact O-OG1 3.49Å; T148-Y150 VanDerWaalsContact C-N 3.29Å; T148-Y150 PolarHBondContact O-N 3.45Å; T148-C151 PolarHBondContact O-N 3.47Å; T148-Y152 HydrophobicContact CG2-CD2 3.76Å; T148-Y152 HydrophobicContact CG2-CE2 3.49Å; T148-Y152 VanDerWaalsContact CG2-CE2 3.49Å; T148-Y152 WeakPolarHBondContact O-CD2 3.39Å; T148-Y152 PolarHBondContact O-N 2.95Å; T148-Y152 VanDerWaalsContact O-N 3.09Å |
| 149 | R | 67.4 | Low | 67 | Low | 48 Ų | 48 | 54.3 Ų | 54.3 | 18% | 0.181 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 175.4 | -72.7 | 175.4 | -171.4 | -91.1 | 18.3 | 111.8 | I86 M145 S146 L147 Y152 V153 | I86-R149 HydrophobicContact CD1-CG 3.51Å; I86-R149 HydrophobicContact CG1-CG 4.4Å; M145-R149 WeakPolarHBondContact O-CG 3.24Å; M145-R149 PolarHBondContact O-N 2.99Å; S146-R149 PolarHBondContact O-N 3.36Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.13Å; R149-Y152 PolarHBondContact O-N 3.13Å; R149-V153 VanDerWaalsContact O-CG2 3.28Å; R149-V153 WeakPolarHBondContact O-CG2 3.45Å; R149-V153 PolarHBondContact O-N 3.33Å |
| 150 | Y | 60.5 | Low | 66 | Low | 103 Ų | 103 | 58 Ų | 58 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -51.9 | 174.2 | 169.1 | -109.4 | 0 | 0 | 0 | 111.5 | S146 L147 T148 Y152 V153 A154 F245 | S146-Y150 PolarHBondContact O-N 2.91Å; S146-Y150 VanDerWaalsContact O-N 3.16Å; L147-Y150 VanDerWaalsContact O-CB 3.31Å; L147-Y150 WeakPolarHBondContact O-CB 3.46Å; L147-Y150 PolarHBondContact O-N 3.39Å; L147-Y150 VanDerWaalsContact O-N 3.15Å; T148-Y150 VanDerWaalsContact C-N 3.29Å; T148-Y150 PolarHBondContact O-N 3.45Å; Y150-Y152 VanDerWaalsContact C-N 3.3Å; Y150-Y152 PolarHBondContact O-N 3.45Å; Y150-V153 CarbonylContact O-C 3.49Å; Y150-V153 PolarHBondContact O-N 3.37Å; Y150-A154 HydrophobicContact CD2-CB 4.18Å; Y150-A154 HydrophobicContact CE1-CB 4.23Å; Y150-A154 HydrophobicContact CE2-CB 3.8Å; Y150-A154 VanDerWaalsContact O-CB 3.28Å; Y150-A154 WeakPolarHBondContact O-CB 3.06Å; Y150-A154 PolarHBondContact O-N 3.39Å; Y150-F245 HydrophobicContact CD2-CD2 4.46Å; Y150-F245 AromaticContact CD2-CE2 3.56Å; Y150-F245 HydrophobicContact CD2-CE2 3.56Å; Y150-F245 HydrophobicContact CD2-CZ 4.37Å; Y150-F245 HydrophobicContact CE2-CE2 4.5Å; Y150-F245 AromaticContact CG-CE2 3.76Å; Y150-F245 HydrophobicContact CG-CE2 3.76Å; Y150-F245 HydrophobicContact CG-CZ 4.46Å |
| 151 | C | 65.6 | Low | 64.3 | Low | 24 Ų | 24 | 57.5 Ų | 57.5 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | -179.1 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | L147 T148 V153 A154 T155 C164 | L147-C151 PolarHBondContact O-N 2.89Å; T148-C151 PolarHBondContact O-N 3.47Å; C151-V153 PolarHBondContact O-N 3.48Å; C151-A154 PolarHBondContact O-N 2.77Å; C151-T155 VanDerWaalsContact O-CB 3.26Å; C151-T155 WeakPolarHBondContact O-CB 3.12Å; C151-T155 PolarHBondContact O-N 3.23Å; C151-T155 PolarHBondContact O-OG1 3.04Å; C151-C164 HydrophobicContact CB-CB 3.31Å; C151-C164 WeakPolarHBondContact CB-SG 3.36Å; C151-C164 WeakPolarHBondContact SG-CB 3.4Å; C151-C164 CovalentContact SG-SG 2.03Å; C151-C164 PolarHBondContact SG-SG 3.16Å |
| 152 | Y | 64.4 | Low | 62.8 | Low | 138 Ų | 138 | 61.9 Ų | 61.9 | 54% | 0.541 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 174.9 | -78.6 | -65.9 | 0 | 0 | 0 | 113.3 | T148 R149 Y150 A156 | T148-Y152 HydrophobicContact CG2-CD2 3.76Å; T148-Y152 HydrophobicContact CG2-CE2 3.49Å; T148-Y152 VanDerWaalsContact CG2-CE2 3.49Å; T148-Y152 WeakPolarHBondContact O-CD2 3.39Å; T148-Y152 PolarHBondContact O-N 2.95Å; T148-Y152 VanDerWaalsContact O-N 3.09Å; R149-Y152 PolarHBondContact O-N 3.13Å; Y150-Y152 VanDerWaalsContact C-N 3.3Å; Y150-Y152 PolarHBondContact O-N 3.45Å; Y152-A156 VanDerWaalsContact O-CB 3.3Å; Y152-A156 WeakPolarHBondContact O-CB 3.45Å; Y152-A156 PolarHBondContact O-N 3.19Å; Y152-A156 VanDerWaalsContact O-N 3.14Å |
| 153 | V | 60.3 | Low | 61.6 | Low | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.261 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.2 | -39.9 | -178.9 | 173.4 | 0 | 0 | 0 | 0 | 112.2 | R149 Y150 C151 A156 L157 | R149-V153 VanDerWaalsContact O-CG2 3.28Å; R149-V153 WeakPolarHBondContact O-CG2 3.45Å; R149-V153 PolarHBondContact O-N 3.33Å; Y150-V153 CarbonylContact O-C 3.49Å; Y150-V153 PolarHBondContact O-N 3.37Å; C151-V153 PolarHBondContact O-N 3.48Å; V153-A156 PolarHBondContact O-N 2.82Å; V153-L157 HydrophobicContact CG1-CD1 4.15Å; V153-L157 WeakPolarHBondContact O-CG 3.32Å; V153-L157 PolarHBondContact O-N 3.07Å |
| 154 | A | 57.5 | Low | 60.5 | Low | 14 Ų | 14 | 67.8 Ų | 67.8 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.1 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y150 C151 A156 L157 K158 | Y150-A154 HydrophobicContact CD2-CB 4.18Å; Y150-A154 HydrophobicContact CE1-CB 4.23Å; Y150-A154 HydrophobicContact CE2-CB 3.8Å; Y150-A154 VanDerWaalsContact O-CB 3.28Å; Y150-A154 WeakPolarHBondContact O-CB 3.06Å; Y150-A154 PolarHBondContact O-N 3.39Å; C151-A154 PolarHBondContact O-N 2.77Å; A154-A156 VanDerWaalsContact C-N 3.31Å; A154-A156 PolarHBondContact O-N 3.43Å; A154-L157 PolarHBondContact O-N 3.43Å; A154-L157 VanDerWaalsContact O-N 3.14Å; A154-K158 PolarHBondContact O-N 3.17Å |
| 155 | T | 57.8 | Low | 59.1 | Low | 57 Ų | 57 | 73 Ų | 73 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | C151 L157 K158 | C151-T155 VanDerWaalsContact O-CB 3.26Å; C151-T155 WeakPolarHBondContact O-CB 3.12Å; C151-T155 PolarHBondContact O-N 3.23Å; C151-T155 PolarHBondContact O-OG1 3.04Å; T155-L157 VanDerWaalsContact C-N 3.25Å; T155-L157 PolarHBondContact O-N 2.91Å; T155-K158 CarbonylContact O-C 3.43Å; T155-K158 PolarHBondContact O-N 2.61Å |
| 156 | A | 55.8 | Low | 58 | Low | 77 Ų | 77 | 84.6 Ų | 84.6 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.5 | -22.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y152 V153 A154 | Y152-A156 VanDerWaalsContact O-CB 3.3Å; Y152-A156 WeakPolarHBondContact O-CB 3.45Å; Y152-A156 PolarHBondContact O-N 3.19Å; Y152-A156 VanDerWaalsContact O-N 3.14Å; V153-A156 PolarHBondContact O-N 2.82Å; A154-A156 VanDerWaalsContact C-N 3.31Å; A154-A156 PolarHBondContact O-N 3.43Å |
| 157 | L | 55.4 | Low | 57 | Low | 119 Ų | 119 | 88 Ų | 88 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -94.9 | -19.1 | 178.8 | -70 | 169.4 | 0 | 0 | 0 | 113.3 | V153 A154 T155 | V153-L157 HydrophobicContact CG1-CD1 4.15Å; V153-L157 WeakPolarHBondContact O-CG 3.32Å; V153-L157 PolarHBondContact O-N 3.07Å; A154-L157 PolarHBondContact O-N 3.43Å; A154-L157 VanDerWaalsContact O-N 3.14Å; T155-L157 VanDerWaalsContact C-N 3.25Å; T155-L157 PolarHBondContact O-N 2.91Å |
| 158 | K | 54.4 | Low | 56.1 | Low | 139 Ų | 139 | 87.6 Ų | 87.6 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | trans | -135.8 | 90.1 | 175.3 | -73.9 | -169.8 | 175.7 | -170.1 | 0 | 110.5 | A154 T155 G160 S161 | A154-K158 PolarHBondContact O-N 3.17Å; T155-K158 CarbonylContact O-C 3.43Å; T155-K158 PolarHBondContact O-N 2.61Å; K158-G160 PolarHBondContact O-N 3.08Å; K158-S161 PolarHBondContact O-N 3.17Å | ||
| 159 | P | 52.6 | Low | 56.2 | Low | 127 Ų | 127 | 90.2 Ų | 90.2 | 83% | 0.825 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -14.6 | -177.7 | -22.6 | 32.5 | 0 | 0 | 0 | 115.4 | ||
| 160 | G | 54.6 | Low | 56.6 | Low | 84 Ų | 84 | 91.2 Ų | 91.2 | 87% | 0.866 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -3.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | K158 | K158-G160 PolarHBondContact O-N 3.08Š|
| 161 | S | 48.6 | Very low | 57.6 | Low | 40 Ų | 40 | 89.1 Ų | 89.1 | 28% | 0.28 | 52% | 0.515 | S | S | . | . | trans | -118.3 | 109.3 | 177 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | K158 L163 | K158-S161 PolarHBondContact O-N 3.17Å; S161-L163 PolarHBondContact O-N 3.45Å; S161-L163 WeakPolarHBondContact OG-CD1 3.38Å | ||
| 162 | S | 51.6 | Low | 58.5 | Low | 92 Ų | 92 | 91.4 Ų | 91.4 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | trans | -72.1 | 57.5 | 168.8 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | C164 N165 | S162-C164 CarbonylContact O-C 3.54Å; S162-C164 PolarHBondContact O-N 3.34Å; S162-N165 PolarHBondContact O-N 3.12Å | ||
| 163 | L | 50.8 | Low | 59.4 | Low | 113 Ų | 113 | 86.7 Ų | 86.7 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -53.4 | -25.2 | 180 | -84.8 | 161.4 | 0 | 0 | 0 | 112.6 | S161 | S161-L163 PolarHBondContact O-N 3.45Å; S161-L163 WeakPolarHBondContact OG-CD1 3.38Å |
| 164 | C | 51.1 | Low | 60.7 | Low | 54 Ų | 54 | 85 Ų | 85 | 37% | 0.365 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -121.2 | 101.9 | 168.6 | -129.7 | 0 | 0 | 0 | 0 | 106.1 | C151 S162 R166 | C151-C164 HydrophobicContact CB-CB 3.31Å; C151-C164 WeakPolarHBondContact CB-SG 3.36Å; C151-C164 WeakPolarHBondContact SG-CB 3.4Å; C151-C164 CovalentContact SG-SG 2.03Å; C151-C164 PolarHBondContact SG-SG 3.16Å; S162-C164 CarbonylContact O-C 3.54Å; S162-C164 PolarHBondContact O-N 3.34Å; C164-R166 PolarHBondContact O-N 3.36Å |
| 165 | N | 47.6 | Very low | 62.2 | Low | 118 Ų | 118 | 86.7 Ų | 86.7 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | trans | -53.5 | 127.9 | 172.3 | -165.7 | 4.3 | 0 | 0 | 0 | 107.3 | S162 S167 | S162-N165 PolarHBondContact O-N 3.12Å; N165-S167 VanDerWaalsContact CG-CB 3.49Å; N165-S167 WeakPolarHBondContact ND2-CB 3.3Å; N165-S167 PolarHBondContact O-N 3.19Å | ||
| 166 | R | 52.8 | Low | 63.7 | Low | 253 Ų | 253 | 89.4 Ų | 89.4 | 96% | 0.955 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 17.5 | -178.6 | -159.3 | 172.8 | 175.7 | 171.3 | -3.1 | 112.2 | C164 | C164-R166 PolarHBondContact O-N 3.36Š|
| 167 | S | 46.3 | Very low | 65.3 | Low | 80 Ų | 80 | 86.5 Ų | 86.5 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -7.7 | -157.4 | -166.5 | 0 | 0 | 0 | 0 | 114.7 | N165 T169 | N165-S167 VanDerWaalsContact CG-CB 3.49Å; N165-S167 WeakPolarHBondContact ND2-CB 3.3Å; N165-S167 PolarHBondContact O-N 3.19Å; S167-T169 PolarHBondContact O-N 3.16Å; S167-T169 VanDerWaalsContact O-N 3.17Å |
| 168 | C | 51.3 | Low | 67.1 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 62% | 0.622 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -78.6 | 98.6 | 156.7 | -83.1 | 0 | 0 | 0 | 0 | 106.6 | F170 | C168-F170 PolarHBondContact O-N 3.21Å; C168-F170 VanDerWaalsContact O-N 3.16Å |
| 169 | T | 72.8 | Confident | 68.9 | Low | 79 Ų | 79 | 80.9 Ų | 80.9 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | trans | -53.4 | 124.5 | 168.8 | 55.4 | 0 | 0 | 0 | 0 | 106.6 | S167 P171 V172 T173 | S167-T169 PolarHBondContact O-N 3.16Å; S167-T169 VanDerWaalsContact O-N 3.17Å; T169-P171 WeakPolarHBondContact O-CD 3.48Å; T169-V172 WeakPolarHBondContact O-CB 2.91Å; T169-V172 PolarHBondContact O-N 3.46Å; T169-V172 WeakPolarHBondContact OG1-CG2 3.24Å; T169-T173 PolarHBondContact O-N 2.88Å | ||
| 170 | F | 75.6 | Confident | 70.5 | Confident | 69 Ų | 69 | 76 Ų | 76 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -50.5 | -27.3 | -179.9 | 55.5 | -92.2 | 0 | 0 | 0 | 114.6 | T85 F88 C168 T174 | T85-F170 HydrophobicContact CG2-CB 3.63Å; F88-F170 HydrophobicContact CB-CD2 4.02Å; F88-F170 HydrophobicContact CB-CE2 4.42Å; F88-F170 AromaticContact CD1-CD2 3.51Å; F88-F170 HydrophobicContact CD1-CD2 3.51Å; F88-F170 HydrophobicContact CD1-CE2 4.24Å; F88-F170 HydrophobicContact CD1-CG 4.47Å; F88-F170 HydrophobicContact CD2-CD2 4.09Å; F88-F170 AromaticContact CD2-CE2 4Å; F88-F170 HydrophobicContact CD2-CE2 4Å; F88-F170 AromaticContact CE1-CD2 3.88Å; F88-F170 HydrophobicContact CE1-CD2 3.88Å; F88-F170 HydrophobicContact CE1-CE2 4.48Å; F88-F170 HydrophobicContact CE2-CD2 4.45Å; F88-F170 HydrophobicContact CE2-CE2 4.29Å; F88-F170 AromaticContact CG-CD2 3.6Å; F88-F170 HydrophobicContact CG-CD2 3.6Å; F88-F170 AromaticContact CG-CE2 3.97Å; F88-F170 HydrophobicContact CG-CE2 3.97Å; F88-F170 HydrophobicContact CZ-CD2 4.35Å; C168-F170 PolarHBondContact O-N 3.21Å; C168-F170 VanDerWaalsContact O-N 3.16Å; F170-T174 WeakPolarHBondContact O-CB 3.16Å; F170-T174 PolarHBondContact O-N 3.5Å; F170-T174 PolarHBondContact O-OG1 3.4Å |
| 171 | P | 82.6 | Confident | 72.1 | Confident | 60 Ų | 60 | 72 Ų | 72 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 170.8 | -20.9 | 36.5 | 0 | 0 | 0 | 113.4 | T169 T174 A175 | T169-P171 WeakPolarHBondContact O-CD 3.48Å; P171-T174 PolarHBondContact O-N 3.16Å; P171-A175 WeakPolarHBondContact O-CB 2.95Å; P171-A175 PolarHBondContact O-N 3.41Å |
| 172 | V | 85.2 | Confident | 74 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 44% | 0.436 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | T169 T174 A175 I176 | T169-V172 WeakPolarHBondContact O-CB 2.91Å; T169-V172 PolarHBondContact O-N 3.46Å; T169-V172 WeakPolarHBondContact OG1-CG2 3.24Å; V172-T174 VanDerWaalsContact C-N 3.31Å; V172-T174 PolarHBondContact O-N 3.17Å; V172-A175 PolarHBondContact O-N 3.02Å; V172-I176 HydrophobicContact CG1-CD1 3.95Å; V172-I176 VanDerWaalsContact O-CG1 3.31Å; V172-I176 WeakPolarHBondContact O-CG1 3.33Å; V172-I176 PolarHBondContact O-N 3.44Å |
| 173 | T | 83.4 | Confident | 75.7 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 24% | 0.239 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | F89 T169 I176 I177 | F89-T173 HydrophobicContact CE1-CG2 4.47Å; F89-T173 HydrophobicContact CZ-CG2 3.99Å; T169-T173 PolarHBondContact O-N 2.88Å; T173-I176 PolarHBondContact O-N 2.82Å; T173-I177 HydrophobicContact CG2-CD1 4.07Å; T173-I177 VanDerWaalsContact O-CG1 3.26Å; T173-I177 WeakPolarHBondContact O-CG1 3.06Å; T173-I177 PolarHBondContact O-N 2.77Å |
| 174 | T | 86.9 | Confident | 77.1 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.043 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.8 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | F88 F89 N92 F141 F170 P171 V172 I176 I177 W178 | F88-T174 WeakPolarHBondContact CD1-OG1 3.19Å; F88-T174 HydrophobicContact CE1-CG2 3.85Å; F88-T174 WeakPolarHBondContact CE1-OG1 3.43Å; F88-T174 HydrophobicContact CZ-CG2 4.5Å; F89-T174 WeakPolarHBondContact CD1-OG1 3.04Å; F89-T174 VanDerWaalsContact CE1-OG1 3.28Å; F89-T174 WeakPolarHBondContact CE1-OG1 3.29Å; N92-T174 HydrophobicContact CB-CG2 4.41Å; N92-T174 VanDerWaalsContact OD1-CG2 3.26Å; N92-T174 WeakPolarHBondContact OD1-CG2 3.44Å; F141-T174 HydrophobicContact CE1-CG2 4.12Å; F141-T174 HydrophobicContact CZ-CG2 4.14Å; F170-T174 WeakPolarHBondContact O-CB 3.16Å; F170-T174 PolarHBondContact O-N 3.5Å; F170-T174 PolarHBondContact O-OG1 3.4Å; P171-T174 PolarHBondContact O-N 3.16Å; V172-T174 VanDerWaalsContact C-N 3.31Å; V172-T174 PolarHBondContact O-N 3.17Å; T174-I176 VanDerWaalsContact C-N 3.34Å; T174-I176 PolarHBondContact O-N 3.07Å; T174-I177 PolarHBondContact O-N 3.07Å; T174-W178 PolarHBondContact O-N 3.25Å |
| 175 | A | 89.4 | Confident | 78.6 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P171 V172 I177 W178 V179 | P171-A175 WeakPolarHBondContact O-CB 2.95Å; P171-A175 PolarHBondContact O-N 3.41Å; V172-A175 PolarHBondContact O-N 3.02Å; A175-I177 VanDerWaalsContact C-N 3.32Å; A175-I177 PolarHBondContact O-N 3.37Å; A175-W178 PolarHBondContact O-N 2.84Å; A175-V179 WeakPolarHBondContact O-CB 3.38Å; A175-V179 VanDerWaalsContact O-CG2 3.28Å; A175-V179 WeakPolarHBondContact O-CG2 3.18Å; A175-V179 PolarHBondContact O-N 2.87Å |
| 176 | I | 89.3 | Confident | 80.2 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 174.7 | -67.2 | 165.1 | 0 | 0 | 0 | 110.8 | V172 T173 T174 V179 G180 | V172-I176 HydrophobicContact CG1-CD1 3.95Å; V172-I176 VanDerWaalsContact O-CG1 3.31Å; V172-I176 WeakPolarHBondContact O-CG1 3.33Å; V172-I176 PolarHBondContact O-N 3.44Å; T173-I176 PolarHBondContact O-N 2.82Å; T174-I176 VanDerWaalsContact C-N 3.34Å; T174-I176 PolarHBondContact O-N 3.07Å; I176-V179 PolarHBondContact O-N 3.42Å; I176-G180 PolarHBondContact O-N 3.38Å |
| 177 | I | 89.4 | Confident | 81.3 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 177.4 | -71.6 | 165.5 | 0 | 0 | 0 | 111 | F140 F141 A144 T173 T174 A175 G180 A181 | F140-I177 HydrophobicContact CB-CB 4.43Å; F140-I177 HydrophobicContact CB-CG1 4.26Å; F140-I177 HydrophobicContact CB-CG2 3.54Å; F140-I177 HydrophobicContact CD2-CG2 4.37Å; F140-I177 HydrophobicContact CG-CG2 4.46Å; F141-I177 HydrophobicContact CD1-CD1 3.95Å; F141-I177 HydrophobicContact CD1-CG2 4.11Å; F141-I177 HydrophobicContact CD2-CG2 4.14Å; F141-I177 HydrophobicContact CE1-CB 4.21Å; F141-I177 HydrophobicContact CE1-CD1 3.96Å; F141-I177 HydrophobicContact CE1-CG2 3.8Å; F141-I177 HydrophobicContact CE2-CG2 3.84Å; F141-I177 HydrophobicContact CG-CG2 4.23Å; F141-I177 HydrophobicContact CZ-CB 4.27Å; F141-I177 HydrophobicContact CZ-CG2 3.63Å; A144-I177 HydrophobicContact CB-CD1 3.59Å; T173-I177 HydrophobicContact CG2-CD1 4.07Å; T173-I177 VanDerWaalsContact O-CG1 3.26Å; T173-I177 WeakPolarHBondContact O-CG1 3.06Å; T173-I177 PolarHBondContact O-N 2.77Å; T174-I177 PolarHBondContact O-N 3.07Å; A175-I177 VanDerWaalsContact C-N 3.32Å; A175-I177 PolarHBondContact O-N 3.37Å; I177-G180 PolarHBondContact O-N 3.12Å; I177-A181 VanDerWaalsContact O-CB 3.25Å; I177-A181 WeakPolarHBondContact O-CB 3.22Å; I177-A181 PolarHBondContact O-N 3.39Å |
| 178 | W | 92.9 | Very high | 82.6 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 178.2 | -83 | 114.2 | 0 | 0 | 0 | 112.3 | N92 L95 A96 L133 A137 F141 T174 A175 A181 L182 | N92-W178 PolarHBondContact OD1-NE1 3.12Å; L95-W178 HydrophobicContact CD2-CZ2 4.24Å; A96-W178 HydrophobicContact CB-CH2 3.92Å; L133-W178 HydrophobicContact CD1-CE3 4.19Å; L133-W178 HydrophobicContact CD1-CZ3 4.18Å; L133-W178 HydrophobicContact CD2-CZ3 3.91Å; L133-W178 HydrophobicContact CG-CZ3 4.04Å; A137-W178 HydrophobicContact CB-CZ3 4.44Å; F141-W178 HydrophobicContact CE2-CZ2 4.22Å; F141-W178 AromaticContact CZ-NE1 3.65Å; T174-W178 PolarHBondContact O-N 3.25Å; A175-W178 PolarHBondContact O-N 2.84Å; W178-A181 PolarHBondContact O-N 2.76Å; W178-L182 VanDerWaalsContact O-CB 3.29Å; W178-L182 WeakPolarHBondContact O-CB 3.47Å; W178-L182 PolarHBondContact O-N 2.76Å |
| 179 | V | 91.6 | Very high | 83.8 | Confident | 85 Ų | 85 | 50 Ų | 50 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 177.8 | 171 | 0 | 0 | 0 | 0 | 110.5 | A175 I176 L182 I183 | A175-V179 WeakPolarHBondContact O-CB 3.38Å; A175-V179 VanDerWaalsContact O-CG2 3.28Å; A175-V179 WeakPolarHBondContact O-CG2 3.18Å; A175-V179 PolarHBondContact O-N 2.87Å; I176-V179 PolarHBondContact O-N 3.42Å; V179-L182 PolarHBondContact O-N 3.41Å; V179-I183 HydrophobicContact CG1-CD1 3.71Å; V179-I183 HydrophobicContact CG1-CG1 4.36Å; V179-I183 VanDerWaalsContact O-CG1 3.24Å; V179-I183 WeakPolarHBondContact O-CG1 3.25Å; V179-I183 PolarHBondContact O-N 3.47Å |
| 180 | G | 86.6 | Confident | 84.1 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I176 I177 L182 I183 V184 | I176-G180 PolarHBondContact O-N 3.38Å; I177-G180 PolarHBondContact O-N 3.12Å; G180-L182 VanDerWaalsContact C-N 3.32Å; G180-L182 PolarHBondContact O-N 3.39Å; G180-I183 PolarHBondContact O-N 3.49Å; G180-V184 VanDerWaalsContact O-CG2 3.31Å; G180-V184 WeakPolarHBondContact O-CG2 3.32Å; G180-V184 PolarHBondContact O-N 3.49Å; G180-V184 VanDerWaalsContact O-N 3.16Å |
| 181 | A | 87.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L133 F136 A137 F140 I177 W178 V184 A185 | L133-A181 HydrophobicContact CD1-CB 3.86Å; F136-A181 HydrophobicContact CB-CB 3.86Å; A137-A181 HydrophobicContact CB-CB 4.18Å; F140-A181 HydrophobicContact CD2-CB 4.08Å; F140-A181 HydrophobicContact CE2-CB 4.26Å; I177-A181 VanDerWaalsContact O-CB 3.25Å; I177-A181 WeakPolarHBondContact O-CB 3.22Å; I177-A181 PolarHBondContact O-N 3.39Å; W178-A181 PolarHBondContact O-N 2.76Å; A181-V184 PolarHBondContact O-N 3.46Å; A181-A185 WeakPolarHBondContact O-CB 3.48Å; A181-A185 PolarHBondContact O-N 2.83Å |
| 182 | L | 89.1 | Confident | 83.4 | Confident | 76 Ų | 76 | 51.2 Ų | 51.2 | 40% | 0.398 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 178.2 | -171.4 | 66.5 | 0 | 0 | 0 | 111.7 | L129 L133 W178 V179 G180 V184 A185 V186 | L129-L182 HydrophobicContact CD1-CD1 4.2Å; L129-L182 HydrophobicContact CD2-CD1 4.41Å; L133-L182 HydrophobicContact CD1-CB 4.35Å; L133-L182 HydrophobicContact CD1-CD1 4.39Å; W178-L182 VanDerWaalsContact O-CB 3.29Å; W178-L182 WeakPolarHBondContact O-CB 3.47Å; W178-L182 PolarHBondContact O-N 2.76Å; V179-L182 PolarHBondContact O-N 3.41Å; G180-L182 VanDerWaalsContact C-N 3.32Å; G180-L182 PolarHBondContact O-N 3.39Å; L182-V184 PolarHBondContact O-N 2.98Å; L182-A185 PolarHBondContact O-N 2.8Å; L182-A185 VanDerWaalsContact O-N 3.11Å; L182-V186 HydrophobicContact CD1-CG2 4.17Å; L182-V186 HydrophobicContact CG-CG2 4.04Å; L182-V186 WeakPolarHBondContact O-CB 3.21Å; L182-V186 WeakPolarHBondContact O-CG2 3.25Å; L182-V186 PolarHBondContact O-N 3Å |
| 183 | I | 86.3 | Confident | 83 | Confident | 114 Ų | 114 | 50.3 Ų | 50.3 | 59% | 0.585 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.1 | -42.3 | 177.5 | -72.2 | 166.2 | 0 | 0 | 0 | 110.9 | V179 G180 P187 | V179-I183 HydrophobicContact CG1-CD1 3.71Å; V179-I183 HydrophobicContact CG1-CG1 4.36Å; V179-I183 VanDerWaalsContact O-CG1 3.24Å; V179-I183 WeakPolarHBondContact O-CG1 3.25Å; V179-I183 PolarHBondContact O-N 3.47Å; G180-I183 PolarHBondContact O-N 3.49Å; I183-P187 WeakPolarHBondContact O-CD 3.18Å |
| 184 | V | 80.3 | Confident | 82.7 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.4 | -30.5 | 179.9 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | F136 G180 A181 L182 P187 L230 I234 | F136-V184 HydrophobicContact CD1-CG1 3.9Å; F136-V184 HydrophobicContact CD2-CB 4.13Å; F136-V184 HydrophobicContact CD2-CG1 3.89Å; F136-V184 HydrophobicContact CE1-CG1 3.6Å; F136-V184 HydrophobicContact CE2-CB 4.25Å; F136-V184 HydrophobicContact CE2-CG1 3.59Å; F136-V184 HydrophobicContact CG-CB 4.31Å; F136-V184 HydrophobicContact CG-CG1 4.06Å; F136-V184 HydrophobicContact CZ-CG1 3.44Å; F136-V184 VanDerWaalsContact CZ-CG1 3.44Å; G180-V184 VanDerWaalsContact O-CG2 3.31Å; G180-V184 WeakPolarHBondContact O-CG2 3.32Å; G180-V184 PolarHBondContact O-N 3.49Å; G180-V184 VanDerWaalsContact O-N 3.16Å; A181-V184 PolarHBondContact O-N 3.46Å; L182-V184 PolarHBondContact O-N 2.98Å; V184-P187 WeakPolarHBondContact O-CD 3.36Å; V184-L230 HydrophobicContact CG1-CD2 3.89Å; V184-L230 HydrophobicContact CG1-CG 4.32Å; V184-I234 HydrophobicContact CG1-CD1 3.81Å; V184-I234 HydrophobicContact CG2-CD1 4.08Å |
| 185 | A | 83.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -79.8 | -30.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L129 L133 F136 A181 L182 R188 A189 | L129-A185 HydrophobicContact CD1-CB 3.88Å; L133-A185 HydrophobicContact CB-CB 4.22Å; F136-A185 HydrophobicContact CD2-CB 4.11Å; F136-A185 HydrophobicContact CE2-CB 4.47Å; A181-A185 WeakPolarHBondContact O-CB 3.48Å; A181-A185 PolarHBondContact O-N 2.83Å; L182-A185 PolarHBondContact O-N 2.8Å; L182-A185 VanDerWaalsContact O-N 3.11Å; A185-R188 VanDerWaalsContact O-CB 3.29Å; A185-R188 WeakPolarHBondContact O-CB 3.34Å; A185-R188 PolarHBondContact O-N 3.39Å; A185-R188 VanDerWaalsContact O-N 3.12Å; A185-A189 PolarHBondContact O-N 2.71Å |
| 186 | V | 81.6 | Confident | 80.7 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 42% | 0.418 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.5 | -44.1 | -176.1 | 159.4 | 0 | 0 | 0 | 0 | 113.6 | L129 L182 R188 A189 R190 | L129-V186 HydrophobicContact CD1-CG2 4.35Å; L182-V186 HydrophobicContact CD1-CG2 4.17Å; L182-V186 HydrophobicContact CG-CG2 4.04Å; L182-V186 WeakPolarHBondContact O-CB 3.21Å; L182-V186 WeakPolarHBondContact O-CG2 3.25Å; L182-V186 PolarHBondContact O-N 3Å; V186-R188 PolarHBondContact O-N 2.71Å; V186-A189 PolarHBondContact O-N 2.9Å; V186-R190 PolarHBondContact O-N 2.7Å |
| 187 | P | 76.2 | Confident | 79.3 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.2 | -40.6 | 177.8 | -25.7 | 32.7 | 0 | 0 | 0 | 112.4 | I183 V184 A189 R190 Y191 L226 | I183-P187 WeakPolarHBondContact O-CD 3.18Å; V184-P187 WeakPolarHBondContact O-CD 3.36Å; P187-A189 VanDerWaalsContact C-N 3.3Å; P187-A189 PolarHBondContact O-N 3.12Å; P187-R190 PolarHBondContact O-N 3.21Å; P187-Y191 HydrophobicContact CB-CD2 4.49Å; P187-Y191 HydrophobicContact CB-CE2 4.4Å; P187-Y191 WeakPolarHBondContact O-CD2 3.33Å; P187-Y191 PolarHBondContact O-N 3.41Å; P187-Y191 VanDerWaalsContact O-N 3.08Å; P187-L226 HydrophobicContact CB-CD1 3.61Å; P187-L226 HydrophobicContact CB-CD2 3.88Å; P187-L226 HydrophobicContact CB-CG 4.29Å; P187-L226 HydrophobicContact CG-CD2 4.21Å |
| 188 | R | 72.2 | Confident | 77.8 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 176.6 | -167.2 | -176.1 | -172.3 | 123.2 | -0.2 | 111.9 | A185 V186 A192 L207 Y281 | A185-R188 VanDerWaalsContact O-CB 3.29Å; A185-R188 WeakPolarHBondContact O-CB 3.34Å; A185-R188 PolarHBondContact O-N 3.39Å; A185-R188 VanDerWaalsContact O-N 3.12Å; V186-R188 PolarHBondContact O-N 2.71Å; R188-A192 PolarHBondContact O-N 3.39Å; R188-A192 VanDerWaalsContact O-N 3.16Å; R188-L207 HydrophobicContact CG-CD2 4.33Å; R188-Y281 PolarHBondContact NH2-OH 3.44Å |
| 189 | A | 77.9 | Confident | 75.7 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.1 | -33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K125 L129 A185 V186 P187 Y191 A192 | K125-A189 WeakPolarHBondContact CG-O 3.16Å; L129-A189 HydrophobicContact CB-CB 3.7Å; L129-A189 HydrophobicContact CD1-CB 3.84Å; L129-A189 HydrophobicContact CG-CB 4.26Å; A185-A189 PolarHBondContact O-N 2.71Å; V186-A189 PolarHBondContact O-N 2.9Å; P187-A189 VanDerWaalsContact C-N 3.3Å; P187-A189 PolarHBondContact O-N 3.12Å; A189-Y191 VanDerWaalsContact C-N 3.34Å; A189-A192 PolarHBondContact O-N 3.36Å |
| 190 | R | 78.1 | Confident | 74.2 | Confident | 168 Ų | 168 | 60.1 Ų | 60.1 | 63% | 0.634 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.9 | -36.6 | 179.7 | -178.8 | 59.6 | -171.7 | 96.4 | -6.5 | 112.3 | V186 P187 | V186-R190 PolarHBondContact O-N 2.7Å; P187-R190 PolarHBondContact O-N 3.21Å |
| 191 | Y | 72.4 | Confident | 73 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -88.7 | -9 | 177.7 | -64.8 | -64.1 | 0 | 0 | 0 | 113.3 | P187 A189 D193 L207 R208 F209 L222 L226 | P187-Y191 HydrophobicContact CB-CD2 4.49Å; P187-Y191 HydrophobicContact CB-CE2 4.4Å; P187-Y191 WeakPolarHBondContact O-CD2 3.33Å; P187-Y191 PolarHBondContact O-N 3.41Å; P187-Y191 VanDerWaalsContact O-N 3.08Å; A189-Y191 VanDerWaalsContact C-N 3.34Å; Y191-D193 PolarHBondContact O-N 3.42Å; Y191-L207 CarbonylContact O-C 3.53Å; Y191-L207 VanDerWaalsContact O-CA 3.28Å; Y191-L207 WeakPolarHBondContact O-CA 3.15Å; Y191-R208 PolarHBondContact O-N 2.81Å; Y191-F209 AromaticContact CD1-CD1 3.33Å; Y191-F209 HydrophobicContact CD1-CD1 3.33Å; Y191-F209 AromaticContact CD1-CE1 3.49Å; Y191-F209 HydrophobicContact CD1-CE1 3.49Å; Y191-F209 VanDerWaalsContact CD1-CE1 3.49Å; Y191-F209 HydrophobicContact CD1-CG 4.09Å; Y191-F209 HydrophobicContact CD1-CZ 4.34Å; Y191-F209 HydrophobicContact CD2-CD1 4.05Å; Y191-F209 AromaticContact CD2-CE1 3.31Å; Y191-F209 HydrophobicContact CD2-CE1 3.31Å; Y191-F209 AromaticContact CD2-CZ 3.89Å; Y191-F209 HydrophobicContact CD2-CZ 3.89Å; Y191-F209 AromaticContact CE1-CD1 3.54Å; Y191-F209 HydrophobicContact CE1-CD1 3.54Å; Y191-F209 AromaticContact CE1-CE1 3.82Å; Y191-F209 HydrophobicContact CE1-CE1 3.82Å; Y191-F209 HydrophobicContact CE2-CD1 4.26Å; Y191-F209 AromaticContact CE2-CE1 3.67Å; Y191-F209 HydrophobicContact CE2-CE1 3.67Å; Y191-F209 AromaticContact CG-CD1 3.63Å; Y191-F209 HydrophobicContact CG-CD1 3.63Å; Y191-F209 AromaticContact CG-CE1 3.24Å; Y191-F209 HydrophobicContact CG-CE1 3.24Å; Y191-F209 HydrophobicContact CG-CG 4.44Å; Y191-F209 AromaticContact CG-CZ 3.77Å; Y191-F209 HydrophobicContact CG-CZ 3.77Å; Y191-F209 AromaticContact CZ-CE1 3.92Å; Y191-L222 HydrophobicContact CE1-CD2 4.41Å; Y191-L222 HydrophobicContact CE2-CD2 4Å; Y191-L222 WeakPolarHBondContact OH-CD2 3.07Å; Y191-L226 HydrophobicContact CD2-CD1 3.85Å; Y191-L226 HydrophobicContact CE2-CD1 3.51Å |
| 192 | A | 71.4 | Confident | 72 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 121.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K125 R188 A189 | K125-A192 WeakPolarHBondContact CE-O 3.41Å; K125-A192 HydrophobicContact CG-CB 4.28Å; R188-A192 PolarHBondContact O-N 3.39Å; R188-A192 VanDerWaalsContact O-N 3.16Å; A189-A192 PolarHBondContact O-N 3.36Å |
| 193 | D | 76.7 | Confident | 71.4 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 162.8 | -178.2 | -155.5 | 7.2 | 0 | 0 | 0 | 111.2 | L121 Y191 L206 R208 | L121-D193 WeakPolarHBondContact CD1-OD1 3.5Å; Y191-D193 PolarHBondContact O-N 3.42Å; D193-L206 PolarHBondContact N-O 3.29Å; D193-L206 PolarHBondContact O-N 3.35Å; D193-R208 HydrophobicContact CB-CB 3.61Å |
| 194 | L | 77.3 | Confident | 70.7 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.9 | 173.8 | -71.6 | 174.4 | 0 | 0 | 0 | 109.9 | W117 L121 C124 C205 | W117-L194 HydrophobicContact CB-CD2 4.22Å; W117-L194 HydrophobicContact CG-CD2 4.1Å; L121-L194 HydrophobicContact CB-CD1 3.94Å; L121-L194 HydrophobicContact CB-CG 4.4Å; L121-L194 HydrophobicContact CD1-CG 4.13Å; C124-L194 HydrophobicContact CB-CD2 4.39Å; L194-C205 HydrophobicContact CD2-CB 4.5Å |
| 195 | S | 68.6 | Low | 70.3 | Confident | 25 Ų | 25 | 62 Ų | 62 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.3 | 172.9 | -67.6 | 0 | 0 | 0 | 0 | 109.4 | T203 A204 | S195-T203 CarbonylContact O-C 3.59Å; S195-T203 WeakPolarHBondContact O-CA 3.33Å; S195-A204 PolarHBondContact N-O 3.16Å; S195-A204 PolarHBondContact O-N 2.85Å |
| 196 | R | 66.8 | Low | 69.5 | Low | 174 Ų | 174 | 65.8 Ų | 65.8 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.8 | 171.4 | -71.8 | -176.8 | 135.3 | 88.2 | 1.9 | 108.9 | N201 T203 | R196-N201 PolarHBondContact NH2-OD1 3.44Å; R196-T203 HydrophobicContact CG-CG2 4.27Å |
| 197 | V | 58.5 | Low | 68.7 | Low | 81 Ų | 81 | 64.8 Ų | 64.8 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | trans | -119.6 | 118.6 | -179.8 | -177 | 0 | 0 | 0 | 0 | 108.2 | D202 A204 L206 | V197-D202 PolarHBondContact N-O 2.85Å; V197-D202 VanDerWaalsContact N-O 3.11Å; V197-A204 HydrophobicContact CG2-CB 3.71Å; V197-L206 HydrophobicContact CG2-CD1 4.42Å | ||
| 198 | G | 57.6 | Low | 67.9 | Low | 71 Ų | 71 | 69.5 Ų | 69.5 | 73% | 0.732 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 93.4 | -170.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 199 | S | 49.8 | Very low | 67.3 | Low | 138 Ų | 138 | 68 Ų | 68 | 97% | 0.965 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -88 | -4.3 | -179.5 | -172.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 200 | G | 59.5 | Low | 66.3 | Low | 40 Ų | 40 | 71.6 Ų | 71.6 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -94 | -172.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D202 | G200-D202 PolarHBondContact O-N 2.85Š|
| 201 | N | 62.6 | Low | 64.9 | Low | 128 Ų | 128 | 71.5 Ų | 71.5 | 68% | 0.684 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -87.5 | 15.8 | 176 | -115.1 | -7.4 | 0 | 0 | 0 | 113 | R196 | R196-N201 PolarHBondContact NH2-OD1 3.44Š|
| 202 | D | 66.8 | Low | 63.9 | Low | 96 Ų | 96 | 69.9 Ų | 69.9 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | trans | -74.8 | 130.1 | -174.9 | -55 | -37.6 | 0 | 0 | 0 | 111 | V197 G200 | V197-D202 PolarHBondContact N-O 2.85Å; V197-D202 VanDerWaalsContact N-O 3.11Å; G200-D202 PolarHBondContact O-N 2.85Å | ||
| 203 | T | 75.4 | Confident | 63 | Low | 33 Ų | 33 | 77.1 Ų | 77.1 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.6 | -178 | 52.4 | 0 | 0 | 0 | 0 | 110 | S116 W117 S195 R196 | S116-T203 CarbonylContact C-O 3.51Å; W117-T203 WeakPolarHBondContact CA-O 3.47Å; W117-T203 WeakPolarHBondContact CB-O 3.33Å; W117-T203 PolarHBondContact N-O 3.43Å; W117-T203 PolarHBondContact O-OG1 3.43Å; S195-T203 CarbonylContact O-C 3.59Å; S195-T203 WeakPolarHBondContact O-CA 3.33Å; R196-T203 HydrophobicContact CG-CG2 4.27Å |
| 204 | A | 71.3 | Confident | 62 | Low | 10 Ų | 10 | 78.3 Ų | 78.3 | 8% | 0.083 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y115 S195 V197 L206 | Y115-A204 WeakPolarHBondContact O-CB 3.37Å; S195-A204 PolarHBondContact N-O 3.16Å; S195-A204 PolarHBondContact O-N 2.85Å; V197-A204 HydrophobicContact CG2-CB 3.71Å; A204-L206 HydrophobicContact CB-CD1 3.88Å; A204-L206 HydrophobicContact CB-CG 4.08Å; A204-L206 PolarHBondContact O-N 3.19Å |
| 205 | C | 72.9 | Confident | 61 | Low | 15 Ų | 15 | 83.8 Ų | 83.8 | 10% | 0.101 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 102.2 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | W117 C124 L194 | W117-C205 HydrophobicContact CB-CB 4.03Å; W117-C205 HydrophobicContact CD2-CB 3.72Å; W117-C205 HydrophobicContact CE3-CB 3.81Å; W117-C205 HydrophobicContact CG-CB 3.81Å; C124-C205 VanDerWaalsContact CA-SG 3.52Å; C124-C205 HydrophobicContact CB-CB 3.83Å; C124-C205 WeakPolarHBondContact CB-SG 3.27Å; C124-C205 WeakPolarHBondContact SG-CB 3.43Å; C124-C205 CovalentContact SG-SG 2.03Å; C124-C205 PolarHBondContact SG-SG 2.97Å; L194-C205 HydrophobicContact CD2-CB 4.5Å |
| 206 | L | 67 | Low | 60.3 | Low | 80 Ų | 80 | 86.7 Ų | 86.7 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.1 | -175.1 | -70 | 164.7 | 0 | 0 | 0 | 110.4 | D193 V197 A204 R208 | D193-L206 PolarHBondContact N-O 3.29Å; D193-L206 PolarHBondContact O-N 3.35Å; V197-L206 HydrophobicContact CG2-CD1 4.42Å; A204-L206 HydrophobicContact CB-CD1 3.88Å; A204-L206 HydrophobicContact CB-CG 4.08Å; A204-L206 PolarHBondContact O-N 3.19Å; L206-R208 PolarHBondContact O-N 3.32Å; L206-R208 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 62.9 | Low | 59.9 | Low | 48 Ų | 48 | 80.7 Ų | 80.7 | 25% | 0.251 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 108 | 169.7 | -84.8 | 79.6 | 0 | 0 | 0 | 109.2 | R188 Y191 F209 | R188-L207 HydrophobicContact CG-CD2 4.33Å; Y191-L207 CarbonylContact O-C 3.53Å; Y191-L207 VanDerWaalsContact O-CA 3.28Å; Y191-L207 WeakPolarHBondContact O-CA 3.15Å; L207-F209 HydrophobicContact CB-CE2 3.98Å; L207-F209 HydrophobicContact CD2-CE2 4.28Å; L207-F209 HydrophobicContact CD2-CZ 4.28Å |
| 208 | R | 61.3 | Low | 60.1 | Low | 130 Ų | 130 | 81.2 Ų | 81.2 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | trans | -104 | 122 | 177.7 | -164.4 | 177.4 | -173.4 | -176.6 | 2.2 | 110.2 | Y191 D193 L206 | Y191-R208 PolarHBondContact O-N 2.81Å; D193-R208 HydrophobicContact CB-CB 3.61Å; L206-R208 PolarHBondContact O-N 3.32Å; L206-R208 VanDerWaalsContact O-N 3.13Å | ||
| 209 | F | 59.2 | Low | 60.1 | Low | 19 Ų | 19 | 78.4 Ų | 78.4 | 8% | 0.083 | 45% | 0.453 | C | S | . | . | trans | -105.5 | 148.2 | 173.5 | -64.7 | -93.7 | 0 | 0 | 0 | 109.3 | Y191 L207 E211 N219 L222 R223 L226 | Y191-F209 AromaticContact CD1-CD1 3.33Å; Y191-F209 HydrophobicContact CD1-CD1 3.33Å; Y191-F209 AromaticContact CD1-CE1 3.49Å; Y191-F209 HydrophobicContact CD1-CE1 3.49Å; Y191-F209 VanDerWaalsContact CD1-CE1 3.49Å; Y191-F209 HydrophobicContact CD1-CG 4.09Å; Y191-F209 HydrophobicContact CD1-CZ 4.34Å; Y191-F209 HydrophobicContact CD2-CD1 4.05Å; Y191-F209 AromaticContact CD2-CE1 3.31Å; Y191-F209 HydrophobicContact CD2-CE1 3.31Å; Y191-F209 AromaticContact CD2-CZ 3.89Å; Y191-F209 HydrophobicContact CD2-CZ 3.89Å; Y191-F209 AromaticContact CE1-CD1 3.54Å; Y191-F209 HydrophobicContact CE1-CD1 3.54Å; Y191-F209 AromaticContact CE1-CE1 3.82Å; Y191-F209 HydrophobicContact CE1-CE1 3.82Å; Y191-F209 HydrophobicContact CE2-CD1 4.26Å; Y191-F209 AromaticContact CE2-CE1 3.67Å; Y191-F209 HydrophobicContact CE2-CE1 3.67Å; Y191-F209 AromaticContact CG-CD1 3.63Å; Y191-F209 HydrophobicContact CG-CD1 3.63Å; Y191-F209 AromaticContact CG-CE1 3.24Å; Y191-F209 HydrophobicContact CG-CE1 3.24Å; Y191-F209 HydrophobicContact CG-CG 4.44Å; Y191-F209 AromaticContact CG-CZ 3.77Å; Y191-F209 HydrophobicContact CG-CZ 3.77Å; Y191-F209 AromaticContact CZ-CE1 3.92Å; L207-F209 HydrophobicContact CB-CE2 3.98Å; L207-F209 HydrophobicContact CD2-CE2 4.28Å; L207-F209 HydrophobicContact CD2-CZ 4.28Å; F209-E211 PolarHBondContact O-N 3.43Å; F209-N219 HydrophobicContact CB-CB 3.81Å; F209-L222 HydrophobicContact CD1-CD2 4.1Å; F209-L222 HydrophobicContact CE1-CB 4.45Å; F209-L222 HydrophobicContact CE1-CD2 4Å; F209-L222 HydrophobicContact CE1-CG 4.08Å; F209-R223 HydrophobicContact CD2-CB 4.06Å; F209-R223 HydrophobicContact CD2-CG 4.2Å; F209-R223 HydrophobicContact CE2-CB 3.63Å; F209-R223 HydrophobicContact CE2-CG 3.62Å; F209-R223 HydrophobicContact CZ-CB 4.01Å; F209-R223 HydrophobicContact CZ-CG 4.32Å; F209-L226 HydrophobicContact CE1-CD1 4.44Å | ||
| 210 | P | 55.9 | Low | 60.4 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | trans | -71.9 | 112.6 | -169.1 | 25.8 | -33.4 | 0 | 0 | 0 | 113.7 | N219 | P210-N219 PolarHBondContact O-ND2 3.22Š| ||
| 211 | E | 48.4 | Very low | 60.6 | Low | 167 Ų | 167 | 78.1 Ų | 78.1 | 78% | 0.78 | 43% | 0.428 | S | S | * | . | trans | -66.3 | 134 | -175.2 | -63.4 | -174.8 | -178.3 | 0 | 0 | 114.3 | F209 | F209-E211 PolarHBondContact O-N 3.43Š| ||
| 212 | G | 51.5 | Low | 60.6 | Low | 29 Ų | 29 | 74.3 Ų | 74.3 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | trans | -171.5 | 146.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A214 W215 L216 | G212-A214 PolarHBondContact O-N 2.87Å; G212-W215 CarbonylContact O-C 3.59Å; G212-W215 WeakPolarHBondContact O-CA 3.05Å; G212-W215 PolarHBondContact O-N 3.47Å; G212-L216 PolarHBondContact O-N 3.37Å | ||
| 213 | T | 53.6 | Low | 60.2 | Low | 153 Ų | 153 | 73.5 Ų | 73.5 | 94% | 0.939 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -34.4 | -167.1 | 48.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 214 | A | 55.8 | Low | 59.4 | Low | 79 Ų | 79 | 72.8 Ų | 72.8 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G212 | G212-A214 PolarHBondContact O-N 2.87Š|
| 215 | W | 55.4 | Low | 59.2 | Low | 157 Ų | 157 | 74.7 Ų | 74.7 | 60% | 0.595 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -11.9 | -177 | -71.6 | 88.4 | 0 | 0 | 0 | 113 | G212 I218 N219 | G212-W215 CarbonylContact O-C 3.59Å; G212-W215 WeakPolarHBondContact O-CA 3.05Å; G212-W215 PolarHBondContact O-N 3.47Å; W215-I218 HydrophobicContact CE3-CG2 4.3Å; W215-I218 HydrophobicContact CZ3-CG2 4.47Å; W215-I218 PolarHBondContact O-N 2.79Å; W215-N219 WeakPolarHBondContact O-CB 3.43Å; W215-N219 PolarHBondContact O-N 3.19Å; W215-N219 PolarHBondContact O-ND2 3.04Å |
| 216 | L | 54.3 | Low | 58.7 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 45% | 0.45 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.3 | -56 | -179.4 | -155.1 | 79.2 | 0 | 0 | 0 | 109.6 | G212 I218 N219 Q220 | G212-L216 PolarHBondContact O-N 3.37Å; L216-I218 PolarHBondContact O-N 2.84Å; L216-N219 PolarHBondContact O-N 3.48Å; L216-N219 VanDerWaalsContact O-N 3.17Å; L216-Q220 WeakPolarHBondContact O-CB 3.31Å; L216-Q220 PolarHBondContact O-N 2.89Å; L216-Q220 PolarHBondContact O-OE1 2.96Å |
| 217 | G | 59.2 | Low | 58.1 | Low | 47 Ų | 47 | 73.1 Ų | 73.1 | 49% | 0.485 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L221 | G217-L221 VanDerWaalsContact O-CB 3.25Å; G217-L221 WeakPolarHBondContact O-CB 3.29Å; G217-L221 PolarHBondContact O-N 2.84Å |
| 218 | I | 61.3 | Low | 57.9 | Low | 92 Ų | 92 | 71.5 Ų | 71.5 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.1 | -66.9 | 173.8 | 0 | 0 | 0 | 110.9 | W215 L216 L221 L222 | W215-I218 HydrophobicContact CE3-CG2 4.3Å; W215-I218 HydrophobicContact CZ3-CG2 4.47Å; W215-I218 PolarHBondContact O-N 2.79Å; L216-I218 PolarHBondContact O-N 2.84Å; I218-L221 PolarHBondContact O-N 3.35Å; I218-L222 WeakPolarHBondContact O-CB 3.18Å; I218-L222 PolarHBondContact O-N 3.17Å |
| 219 | N | 57.2 | Low | 58.2 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.07 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.8 | -37 | 178.5 | -74.4 | -14.1 | 0 | 0 | 0 | 112.6 | F209 P210 W215 L216 L222 R223 | F209-N219 HydrophobicContact CB-CB 3.81Å; P210-N219 PolarHBondContact O-ND2 3.22Å; W215-N219 WeakPolarHBondContact O-CB 3.43Å; W215-N219 PolarHBondContact O-N 3.19Å; W215-N219 PolarHBondContact O-ND2 3.04Å; L216-N219 PolarHBondContact O-N 3.48Å; L216-N219 VanDerWaalsContact O-N 3.17Å; N219-L222 PolarHBondContact O-N 2.88Å; N219-R223 VanDerWaalsContact O-CB 3.23Å; N219-R223 WeakPolarHBondContact O-CB 3.37Å; N219-R223 PolarHBondContact O-N 2.03Å |
| 220 | Q | 57.6 | Low | 58.6 | Low | 57 Ų | 57 | 71.1 Ų | 71.1 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 171.5 | -87.4 | 140.7 | -21 | 0 | 0 | 110.5 | L216 L222 R223 V224 L293 | L216-Q220 WeakPolarHBondContact O-CB 3.31Å; L216-Q220 PolarHBondContact O-N 2.89Å; L216-Q220 PolarHBondContact O-OE1 2.96Å; Q220-L222 VanDerWaalsContact C-N 3.31Å; Q220-L222 PolarHBondContact O-N 3.17Å; Q220-R223 WeakPolarHBondContact O-CB 3.33Å; Q220-R223 PolarHBondContact O-N 2.89Å; Q220-V224 WeakPolarHBondContact O-CG2 3.31Å; Q220-V224 PolarHBondContact O-N 3.37Å; Q220-L293 HydrophobicContact CB-CD2 3.83Å; Q220-L293 HydrophobicContact CG-CD2 4.49Å |
| 221 | L | 63.5 | Low | 58.7 | Low | 114 Ų | 114 | 67.6 Ų | 67.6 | 60% | 0.597 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 172.6 | -161.8 | 90.5 | 0 | 0 | 0 | 111.1 | G217 I218 R223 V224 V225 | G217-L221 VanDerWaalsContact O-CB 3.25Å; G217-L221 WeakPolarHBondContact O-CB 3.29Å; G217-L221 PolarHBondContact O-N 2.84Å; I218-L221 PolarHBondContact O-N 3.35Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.33Å; L221-V224 WeakPolarHBondContact O-CB 3.3Å; L221-V224 PolarHBondContact O-N 2.8Å; L221-V225 HydrophobicContact CG-CG2 4.38Å; L221-V225 WeakPolarHBondContact O-CB 3.46Å; L221-V225 WeakPolarHBondContact O-CG2 3.33Å; L221-V225 PolarHBondContact O-N 3.17Å |
| 222 | L | 62.7 | Low | 59.5 | Low | 49 Ų | 49 | 64.2 Ų | 64.2 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 178.8 | -168.5 | 67.3 | 0 | 0 | 0 | 111.9 | Y191 F209 I218 N219 Q220 V225 L226 | Y191-L222 HydrophobicContact CE1-CD2 4.41Å; Y191-L222 HydrophobicContact CE2-CD2 4Å; Y191-L222 WeakPolarHBondContact OH-CD2 3.07Å; F209-L222 HydrophobicContact CD1-CD2 4.1Å; F209-L222 HydrophobicContact CE1-CB 4.45Å; F209-L222 HydrophobicContact CE1-CD2 4Å; F209-L222 HydrophobicContact CE1-CG 4.08Å; I218-L222 WeakPolarHBondContact O-CB 3.18Å; I218-L222 PolarHBondContact O-N 3.17Å; N219-L222 PolarHBondContact O-N 2.88Å; Q220-L222 VanDerWaalsContact C-N 3.31Å; Q220-L222 PolarHBondContact O-N 3.17Å; L222-V225 PolarHBondContact O-N 3.45Å; L222-L226 HydrophobicContact CD1-CD1 3.69Å; L222-L226 HydrophobicContact CD1-CG 3.87Å; L222-L226 HydrophobicContact CD2-CD1 4.24Å; L222-L226 HydrophobicContact CG-CD1 3.63Å; L222-L226 HydrophobicContact CG-CG 4.12Å; L222-L226 VanDerWaalsContact O-CB 3.25Å; L222-L226 WeakPolarHBondContact O-CB 3.38Å; L222-L226 WeakPolarHBondContact O-CG 3.3Å; L222-L226 PolarHBondContact O-N 2.99Å |
| 223 | R | 57.6 | Low | 60.3 | Low | 78 Ų | 78 | 65.4 Ų | 65.4 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 172.4 | -172.3 | 172.2 | -169.3 | -178.6 | 2.5 | 111.4 | F209 N219 Q220 L221 G227 Q292 | F209-R223 HydrophobicContact CD2-CB 4.06Å; F209-R223 HydrophobicContact CD2-CG 4.2Å; F209-R223 HydrophobicContact CE2-CB 3.63Å; F209-R223 HydrophobicContact CE2-CG 3.62Å; F209-R223 HydrophobicContact CZ-CB 4.01Å; F209-R223 HydrophobicContact CZ-CG 4.32Å; N219-R223 VanDerWaalsContact O-CB 3.23Å; N219-R223 WeakPolarHBondContact O-CB 3.37Å; N219-R223 PolarHBondContact O-N 2.03Å; Q220-R223 WeakPolarHBondContact O-CB 3.33Å; Q220-R223 PolarHBondContact O-N 2.89Å; L221-R223 VanDerWaalsContact C-N 3.34Å; L221-R223 PolarHBondContact O-N 3.33Å; R223-G227 VanDerWaalsContact O-CA 3.24Å; R223-G227 WeakPolarHBondContact O-CA 3.28Å; R223-G227 PolarHBondContact O-N 3.26Å; R223-Q292 VanDerWaalsContact CZ-CD 3.45Å; R223-Q292 VanDerWaalsContact NE-OE1 3.07Å; R223-Q292 VanDerWaalsContact NH2-NE2 3.11Å |
| 224 | V | 58.9 | Low | 60.9 | Low | 19 Ų | 19 | 59.8 Ų | 59.8 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | Q220 L221 F228 L229 V289 L293 | Q220-V224 WeakPolarHBondContact O-CG2 3.31Å; Q220-V224 PolarHBondContact O-N 3.37Å; L221-V224 WeakPolarHBondContact O-CB 3.3Å; L221-V224 PolarHBondContact O-N 2.8Å; V224-F228 CarbonylContact O-C 3.57Å; V224-F228 WeakPolarHBondContact O-CA 3.35Å; V224-F228 VanDerWaalsContact O-CB 3.27Å; V224-F228 WeakPolarHBondContact O-CB 3.49Å; V224-F228 PolarHBondContact O-N 3.05Å; V224-L229 HydrophobicContact CG1-CD1 3.81Å; V224-L229 HydrophobicContact CG1-CG 4.01Å; V224-L229 PolarHBondContact O-N 3.03Å; V224-V289 HydrophobicContact CB-CG1 3.93Å; V224-V289 HydrophobicContact CG1-CG1 3.96Å; V224-V289 HydrophobicContact CG2-CG1 3.2Å; V224-L293 HydrophobicContact CG2-CD1 3.7Å; V224-L293 HydrophobicContact CG2-CD2 4.06Å; V224-L293 HydrophobicContact CG2-CG 4.05Å |
| 225 | V | 67.1 | Low | 61.4 | Low | 49 Ų | 49 | 57 Ų | 57 | 30% | 0.297 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -69.5 | -52.3 | -176.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | L221 L222 L229 L230 | L221-V225 HydrophobicContact CG-CG2 4.38Å; L221-V225 WeakPolarHBondContact O-CB 3.46Å; L221-V225 WeakPolarHBondContact O-CG2 3.33Å; L221-V225 PolarHBondContact O-N 3.17Å; L222-V225 PolarHBondContact O-N 3.45Å; V225-L229 HydrophobicContact CG2-CD1 3.93Å; V225-L229 PolarHBondContact O-N 2.64Å; V225-L230 HydrophobicContact CG1-CB 4.46Å; V225-L230 WeakPolarHBondContact O-CA 3.19Å; V225-L230 WeakPolarHBondContact O-CB 3.44Å; V225-L230 PolarHBondContact O-N 3.08Å |
| 226 | L | 62.4 | Low | 62 | Low | 33 Ų | 33 | 52.2 Ų | 52.2 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -77.5 | -34.7 | -177.7 | -62.8 | 177 | 0 | 0 | 0 | 113 | P187 Y191 F209 L222 L230 P231 | P187-L226 HydrophobicContact CB-CD1 3.61Å; P187-L226 HydrophobicContact CB-CD2 3.88Å; P187-L226 HydrophobicContact CB-CG 4.29Å; P187-L226 HydrophobicContact CG-CD2 4.21Å; Y191-L226 HydrophobicContact CD2-CD1 3.85Å; Y191-L226 HydrophobicContact CE2-CD1 3.51Å; F209-L226 HydrophobicContact CE1-CD1 4.44Å; L222-L226 HydrophobicContact CD1-CD1 3.69Å; L222-L226 HydrophobicContact CD1-CG 3.87Å; L222-L226 HydrophobicContact CD2-CD1 4.24Å; L222-L226 HydrophobicContact CG-CD1 3.63Å; L222-L226 HydrophobicContact CG-CG 4.12Å; L222-L226 VanDerWaalsContact O-CB 3.25Å; L222-L226 WeakPolarHBondContact O-CB 3.38Å; L222-L226 WeakPolarHBondContact O-CG 3.3Å; L222-L226 PolarHBondContact O-N 2.99Å; L226-L230 HydrophobicContact CD2-CD2 4.03Å; L226-P231 WeakPolarHBondContact O-CD 3.34Å |
| 227 | G | 54.6 | Low | 62.6 | Low | 29 Ų | 29 | 53.1 Ų | 53.1 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -81 | -28.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R223 | R223-G227 VanDerWaalsContact O-CA 3.24Å; R223-G227 WeakPolarHBondContact O-CA 3.28Å; R223-G227 PolarHBondContact O-N 3.26Å |
| 228 | F | 58.4 | Low | 63 | Low | 14 Ų | 14 | 51.7 Ų | 51.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -133.5 | -63.4 | -171.4 | -179.3 | -98.2 | 0 | 0 | 0 | 114 | V224 L230 P231 Y232 N282 L286 | V224-F228 CarbonylContact O-C 3.57Å; V224-F228 WeakPolarHBondContact O-CA 3.35Å; V224-F228 VanDerWaalsContact O-CB 3.27Å; V224-F228 WeakPolarHBondContact O-CB 3.49Å; V224-F228 PolarHBondContact O-N 3.05Å; F228-L230 PolarHBondContact O-N 2.99Å; F228-P231 WeakPolarHBondContact O-CD 3.46Å; F228-Y232 HydrophobicContact CZ-CD1 4.47Å; F228-Y232 HydrophobicContact CZ-CG 4.44Å; F228-Y232 WeakPolarHBondContact O-CB 3.4Å; F228-Y232 PolarHBondContact O-N 3.27Å; F228-N282 HydrophobicContact CE2-CB 4.44Å; F228-N282 WeakPolarHBondContact CE2-O 3.46Å; F228-L286 HydrophobicContact CD1-CD1 4.06Å; F228-L286 HydrophobicContact CD2-CB 4.22Å; F228-L286 HydrophobicContact CE1-CD1 3.55Å; F228-L286 HydrophobicContact CE1-CG 4.45Å; F228-L286 HydrophobicContact CE2-CB 3.63Å; F228-L286 HydrophobicContact CE2-CD1 4.18Å; F228-L286 HydrophobicContact CE2-CG 4.34Å; F228-L286 HydrophobicContact CZ-CB 3.82Å; F228-L286 HydrophobicContact CZ-CD1 3.62Å; F228-L286 HydrophobicContact CZ-CD2 4.03Å; F228-L286 HydrophobicContact CZ-CG 4.02Å |
| 229 | L | 67.2 | Low | 63.1 | Low | 82 Ų | 82 | 50.2 Ų | 50.2 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -67.4 | -41 | -168.6 | -65.4 | 166.2 | 0 | 0 | 0 | 113.9 | V224 V225 Y232 A233 | V224-L229 HydrophobicContact CG1-CD1 3.81Å; V224-L229 HydrophobicContact CG1-CG 4.01Å; V224-L229 PolarHBondContact O-N 3.03Å; V225-L229 HydrophobicContact CG2-CD1 3.93Å; V225-L229 PolarHBondContact O-N 2.64Å; L229-Y232 PolarHBondContact O-N 3.48Å; L229-A233 WeakPolarHBondContact O-CB 3.43Å; L229-A233 PolarHBondContact O-N 3.05Å |
| 230 | L | 67 | Low | 63.5 | Low | 60 Ų | 60 | 54 Ų | 54 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.2 | -48.9 | -178.9 | -176.9 | 76.3 | 0 | 0 | 0 | 110.9 | V184 V225 L226 F228 Y232 A233 I234 | V184-L230 HydrophobicContact CG1-CD2 3.89Å; V184-L230 HydrophobicContact CG1-CG 4.32Å; V225-L230 HydrophobicContact CG1-CB 4.46Å; V225-L230 WeakPolarHBondContact O-CA 3.19Å; V225-L230 WeakPolarHBondContact O-CB 3.44Å; V225-L230 PolarHBondContact O-N 3.08Å; L226-L230 HydrophobicContact CD2-CD2 4.03Å; F228-L230 PolarHBondContact O-N 2.99Å; L230-Y232 VanDerWaalsContact C-N 3.29Å; L230-Y232 PolarHBondContact O-N 2.88Å; L230-A233 PolarHBondContact O-N 3.13Å; L230-I234 HydrophobicContact CD1-CD1 4.24Å; L230-I234 HydrophobicContact CG-CD1 4.11Å; L230-I234 WeakPolarHBondContact O-CB 3.06Å; L230-I234 VanDerWaalsContact O-CG1 3.28Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 2.76Å; L230-I234 VanDerWaalsContact O-N 3.12Å |
| 231 | P | 59.7 | Low | 63.8 | Low | 12 Ų | 12 | 55.9 Ų | 55.9 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 171 | -11.2 | 13.4 | 0 | 0 | 0 | 113.6 | F136 L226 F228 I234 I235 | F136-P231 HydrophobicContact CE1-CB 3.82Å; F136-P231 HydrophobicContact CE1-CG 4.41Å; F136-P231 HydrophobicContact CZ-CB 3.83Å; F136-P231 HydrophobicContact CZ-CG 3.97Å; L226-P231 WeakPolarHBondContact O-CD 3.34Å; F228-P231 WeakPolarHBondContact O-CD 3.46Å; P231-I234 PolarHBondContact O-N 2.94Å; P231-I235 WeakPolarHBondContact O-CB 3.28Å; P231-I235 WeakPolarHBondContact O-CD1 3.47Å; P231-I235 WeakPolarHBondContact O-CG1 3.28Å; P231-I235 PolarHBondContact O-N 2.91Å |
| 232 | Y | 63.6 | Low | 63.7 | Low | 96 Ų | 96 | 51.2 Ų | 51.2 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | -178.1 | -169.2 | -117 | 0 | 0 | 0 | 112.9 | F228 L229 L230 I234 I235 I236 | F228-Y232 HydrophobicContact CZ-CD1 4.47Å; F228-Y232 HydrophobicContact CZ-CG 4.44Å; F228-Y232 WeakPolarHBondContact O-CB 3.4Å; F228-Y232 PolarHBondContact O-N 3.27Å; L229-Y232 PolarHBondContact O-N 3.48Å; L230-Y232 VanDerWaalsContact C-N 3.29Å; L230-Y232 PolarHBondContact O-N 2.88Å; Y232-I234 VanDerWaalsContact C-N 3.34Å; Y232-I234 PolarHBondContact O-N 2.88Å; Y232-I235 PolarHBondContact O-N 2.84Å; Y232-I236 HydrophobicContact CD1-CD1 3.41Å; Y232-I236 VanDerWaalsContact CD1-CD1 3.41Å; Y232-I236 HydrophobicContact CD1-CG1 4.43Å; Y232-I236 HydrophobicContact CD2-CD1 4.1Å; Y232-I236 HydrophobicContact CD2-CG1 4.43Å; Y232-I236 HydrophobicContact CE1-CD1 3.05Å; Y232-I236 HydrophobicContact CE1-CG1 4.27Å; Y232-I236 HydrophobicContact CE2-CD1 3.77Å; Y232-I236 HydrophobicContact CE2-CG1 4.23Å; Y232-I236 HydrophobicContact CG-CD1 3.93Å; Y232-I236 VanDerWaalsContact O-CB 3.29Å; Y232-I236 WeakPolarHBondContact O-CB 3.42Å; Y232-I236 VanDerWaalsContact O-CG1 3.31Å; Y232-I236 WeakPolarHBondContact O-CG1 3.5Å; Y232-I236 PolarHBondContact O-N 2.87Å |
| 233 | A | 68.8 | Low | 63.5 | Low | 55 Ų | 55 | 52 Ų | 52 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L229 L230 L237 | L229-A233 WeakPolarHBondContact O-CB 3.43Å; L229-A233 PolarHBondContact O-N 3.05Å; L230-A233 PolarHBondContact O-N 3.13Å; A233-L237 WeakPolarHBondContact O-CB 3.24Å; A233-L237 PolarHBondContact O-N 2.58Å |
| 234 | I | 67.1 | Low | 63.8 | Low | 34 Ų | 34 | 56.7 Ų | 56.7 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.1 | -47.4 | 177 | -68.1 | 170.1 | 0 | 0 | 0 | 110.5 | F140 V184 L230 P231 Y232 L237 S238 | F140-I234 HydrophobicContact CD1-CG2 4.43Å; F140-I234 HydrophobicContact CE1-CG2 3.43Å; F140-I234 VanDerWaalsContact CE1-CG2 3.43Å; F140-I234 HydrophobicContact CZ-CG2 3.78Å; V184-I234 HydrophobicContact CG1-CD1 3.81Å; V184-I234 HydrophobicContact CG2-CD1 4.08Å; L230-I234 HydrophobicContact CD1-CD1 4.24Å; L230-I234 HydrophobicContact CG-CD1 4.11Å; L230-I234 WeakPolarHBondContact O-CB 3.06Å; L230-I234 VanDerWaalsContact O-CG1 3.28Å; L230-I234 WeakPolarHBondContact O-CG1 3.44Å; L230-I234 PolarHBondContact O-N 2.76Å; L230-I234 VanDerWaalsContact O-N 3.12Å; P231-I234 PolarHBondContact O-N 2.94Å; Y232-I234 VanDerWaalsContact C-N 3.34Å; Y232-I234 PolarHBondContact O-N 2.88Å; I234-L237 PolarHBondContact O-N 3.42Å; I234-S238 VanDerWaalsContact O-CB 3.27Å; I234-S238 WeakPolarHBondContact O-CB 3.2Å; I234-S238 PolarHBondContact O-N 3.3Å; I234-S238 PolarHBondContact O-OG 3.3Å |
| 235 | I | 65.8 | Low | 63.6 | Low | 21 Ų | 21 | 58.9 Ų | 58.9 | 11% | 0.108 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 178.6 | -67.9 | 167.2 | 0 | 0 | 0 | 110.5 | V135 P231 Y232 S238 Y239 F274 | V135-I235 HydrophobicContact CG1-CD1 4.02Å; P231-I235 WeakPolarHBondContact O-CB 3.28Å; P231-I235 WeakPolarHBondContact O-CD1 3.47Å; P231-I235 WeakPolarHBondContact O-CG1 3.28Å; P231-I235 PolarHBondContact O-N 2.91Å; Y232-I235 PolarHBondContact O-N 2.84Å; I235-S238 PolarHBondContact O-N 3.31Å; I235-S238 PolarHBondContact O-OG 3.32Å; I235-Y239 VanDerWaalsContact O-CB 3.31Å; I235-Y239 WeakPolarHBondContact O-CB 3.3Å; I235-Y239 PolarHBondContact O-N 3.42Å; I235-F274 HydrophobicContact CG2-CE1 4.5Å |
| 236 | I | 67.4 | Low | 63.1 | Low | 57 Ų | 57 | 58.8 Ų | 58.8 | 29% | 0.292 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 176.1 | -74.9 | 172.3 | 0 | 0 | 0 | 111 | Y232 S238 Y239 L240 | Y232-I236 HydrophobicContact CD1-CD1 3.41Å; Y232-I236 VanDerWaalsContact CD1-CD1 3.41Å; Y232-I236 HydrophobicContact CD1-CG1 4.43Å; Y232-I236 HydrophobicContact CD2-CD1 4.1Å; Y232-I236 HydrophobicContact CD2-CG1 4.43Å; Y232-I236 HydrophobicContact CE1-CD1 3.05Å; Y232-I236 HydrophobicContact CE1-CG1 4.27Å; Y232-I236 HydrophobicContact CE2-CD1 3.77Å; Y232-I236 HydrophobicContact CE2-CG1 4.23Å; Y232-I236 HydrophobicContact CG-CD1 3.93Å; Y232-I236 VanDerWaalsContact O-CB 3.29Å; Y232-I236 WeakPolarHBondContact O-CB 3.42Å; Y232-I236 VanDerWaalsContact O-CG1 3.31Å; Y232-I236 WeakPolarHBondContact O-CG1 3.5Å; Y232-I236 PolarHBondContact O-N 2.87Å; I236-S238 VanDerWaalsContact C-N 3.3Å; I236-S238 PolarHBondContact O-N 2.82Å; I236-Y239 CarbonylContact O-C 3.51Å; I236-Y239 PolarHBondContact O-N 2.82Å; I236-Y239 VanDerWaalsContact O-N 3.12Å; I236-L240 HydrophobicContact CG2-CD1 3.51Å; I236-L240 HydrophobicContact CG2-CG 3.8Å; I236-L240 WeakPolarHBondContact O-CB 3.37Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.44Å; I236-L240 PolarHBondContact O-N 3.23Å |
| 237 | L | 68.3 | Low | 62.8 | Low | 104 Ų | 104 | 60.4 Ų | 60.4 | 55% | 0.545 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | -177.4 | -177.5 | 62.7 | 0 | 0 | 0 | 110.1 | A233 I234 Y239 L240 L241 | A233-L237 WeakPolarHBondContact O-CB 3.24Å; A233-L237 PolarHBondContact O-N 2.58Å; I234-L237 PolarHBondContact O-N 3.42Å; L237-Y239 VanDerWaalsContact C-N 3.3Å; L237-Y239 PolarHBondContact O-N 2.77Å; L237-L240 PolarHBondContact O-N 3.37Å; L237-L241 HydrophobicContact CD1-CD1 4.43Å; L237-L241 HydrophobicContact CD1-CG 4.43Å; L237-L241 HydrophobicContact CG-CD1 4.1Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.19Å; L237-L241 WeakPolarHBondContact O-CD1 3.48Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 2.91Å |
| 238 | S | 66.1 | Low | 62.9 | Low | 17 Ų | 17 | 67.9 Ų | 67.9 | 12% | 0.119 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.6 | 79.6 | 0 | 0 | 0 | 0 | 112.2 | C139 T143 I234 I235 I236 L242 | C139-S238 PolarHBondContact SG-OG 3.42Å; T143-S238 WeakPolarHBondContact OG1-CB 3.35Å; I234-S238 VanDerWaalsContact O-CB 3.27Å; I234-S238 WeakPolarHBondContact O-CB 3.2Å; I234-S238 PolarHBondContact O-N 3.3Å; I234-S238 PolarHBondContact O-OG 3.3Å; I235-S238 PolarHBondContact O-N 3.31Å; I235-S238 PolarHBondContact O-OG 3.32Å; I236-S238 VanDerWaalsContact C-N 3.3Å; I236-S238 PolarHBondContact O-N 2.82Å; S238-L242 WeakPolarHBondContact O-CB 3.22Å; S238-L242 PolarHBondContact O-N 2.6Å |
| 239 | Y | 64.4 | Low | 62.4 | Low | 62 Ų | 62 | 72.2 Ų | 72.2 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.8 | -41.4 | 178.8 | 179.3 | -104.1 | 0 | 0 | 0 | 112.6 | I235 I236 L237 L241 L242 L243 V271 | I235-Y239 VanDerWaalsContact O-CB 3.31Å; I235-Y239 WeakPolarHBondContact O-CB 3.3Å; I235-Y239 PolarHBondContact O-N 3.42Å; I236-Y239 CarbonylContact O-C 3.51Å; I236-Y239 PolarHBondContact O-N 2.82Å; I236-Y239 VanDerWaalsContact O-N 3.12Å; L237-Y239 VanDerWaalsContact C-N 3.3Å; L237-Y239 PolarHBondContact O-N 2.77Å; Y239-L241 VanDerWaalsContact C-N 3.32Å; Y239-L242 CarbonylContact O-C 3.37Å; Y239-L242 WeakPolarHBondContact O-CB 3.49Å; Y239-L242 PolarHBondContact O-N 2.81Å; Y239-L243 HydrophobicContact CE1-CB 4.33Å; Y239-L243 HydrophobicContact CE1-CD2 4.08Å; Y239-L243 VanDerWaalsContact O-CB 3.3Å; Y239-L243 WeakPolarHBondContact O-CB 3.36Å; Y239-L243 PolarHBondContact O-N 2.94Å; Y239-V271 HydrophobicContact CD2-CG1 3.55Å; Y239-V271 HydrophobicContact CE2-CG1 3.84Å |
| 240 | L | 64.9 | Low | 61.6 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.7 | -72.6 | 178.7 | 0 | 0 | 0 | 110.1 | I236 L237 L242 L243 R244 | I236-L240 HydrophobicContact CG2-CD1 3.51Å; I236-L240 HydrophobicContact CG2-CG 3.8Å; I236-L240 WeakPolarHBondContact O-CB 3.37Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.44Å; I236-L240 PolarHBondContact O-N 3.23Å; L237-L240 PolarHBondContact O-N 3.37Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.3Å; L240-L243 PolarHBondContact O-N 3.39Å; L240-R244 WeakPolarHBondContact O-CB 3.09Å; L240-R244 PolarHBondContact O-N 3.34Å |
| 241 | L | 63.5 | Low | 60.6 | Low | 97 Ų | 97 | 82.1 Ų | 82.1 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 172.1 | -71.5 | 169.8 | 0 | 0 | 0 | 110.6 | L237 Y239 F245 | L237-L241 HydrophobicContact CD1-CD1 4.43Å; L237-L241 HydrophobicContact CD1-CG 4.43Å; L237-L241 HydrophobicContact CG-CD1 4.1Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.19Å; L237-L241 WeakPolarHBondContact O-CD1 3.48Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 2.91Å; Y239-L241 VanDerWaalsContact C-N 3.32Å; L241-F245 WeakPolarHBondContact O-CB 3.37Å; L241-F245 PolarHBondContact O-N 3.49Å |
| 242 | L | 62.1 | Low | 59.8 | Low | 16 Ų | 16 | 90.1 Ų | 90.1 | 8% | 0.084 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 175 | -178.1 | 74.9 | 0 | 0 | 0 | 113.7 | S146 S238 Y239 L240 F245 L246 V267 V271 | S146-L242 WeakPolarHBondContact OG-CD1 3.4Å; S238-L242 WeakPolarHBondContact O-CB 3.22Å; S238-L242 PolarHBondContact O-N 2.6Å; Y239-L242 CarbonylContact O-C 3.37Å; Y239-L242 WeakPolarHBondContact O-CB 3.49Å; Y239-L242 PolarHBondContact O-N 2.81Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.3Å; L242-F245 HydrophobicContact CD1-CD1 4.43Å; L242-F245 CarbonylContact O-C 3.39Å; L242-F245 VanDerWaalsContact O-CB 3.26Å; L242-F245 WeakPolarHBondContact O-CB 3.43Å; L242-F245 PolarHBondContact O-N 2.78Å; L242-L246 HydrophobicContact CD2-CD1 4.45Å; L242-L246 HydrophobicContact CG-CD1 4.07Å; L242-L246 WeakPolarHBondContact O-CG 3.26Å; L242-L246 PolarHBondContact O-N 3.17Å; L242-V267 HydrophobicContact CD1-CG1 4.48Å; L242-V271 HydrophobicContact CD2-CB 3.69Å; L242-V271 HydrophobicContact CD2-CG1 3.48Å; L242-V271 VanDerWaalsContact CD2-CG1 3.48Å; L242-V271 HydrophobicContact CD2-CG2 3.52Å |
| 243 | L | 58.1 | Low | 59 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 34% | 0.335 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.1 | -44.8 | -176.3 | -177.8 | 68.9 | 0 | 0 | 0 | 110.5 | Y239 L240 F245 L246 C247 | Y239-L243 HydrophobicContact CE1-CB 4.33Å; Y239-L243 HydrophobicContact CE1-CD2 4.08Å; Y239-L243 VanDerWaalsContact O-CB 3.3Å; Y239-L243 WeakPolarHBondContact O-CB 3.36Å; Y239-L243 PolarHBondContact O-N 2.94Å; L240-L243 PolarHBondContact O-N 3.39Å; L243-F245 PolarHBondContact O-N 2.93Å; L243-L246 PolarHBondContact O-N 2.76Å; L243-L246 VanDerWaalsContact O-N 3.11Å; L243-C247 WeakPolarHBondContact O-CB 3.28Å; L243-C247 PolarHBondContact O-N 2.96Å; L243-C247 PolarHBondContact O-SG 3.24Å; L243-C247 VanDerWaalsContact O-SG 3.36Å |
| 244 | R | 63.9 | Low | 57.6 | Low | 178 Ų | 178 | 91.6 Ų | 91.6 | 67% | 0.672 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58 | -36.9 | 172 | -155.8 | 179.4 | -156.7 | -174.8 | 4.7 | 109.3 | L240 R248 | L240-R244 WeakPolarHBondContact O-CB 3.09Å; L240-R244 PolarHBondContact O-N 3.34Å; R244-R248 VanDerWaalsContact O-CB 3.23Å; R244-R248 WeakPolarHBondContact O-CB 3.25Å; R244-R248 WeakPolarHBondContact O-CG 3.29Å; R244-R248 PolarHBondContact O-N 2.8Å |
| 245 | F | 54.8 | Low | 56.5 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 29% | 0.285 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 171.8 | 170.6 | -102.1 | 0 | 0 | 0 | 113.3 | Y150 L241 L242 L243 H249 | Y150-F245 HydrophobicContact CD2-CD2 4.46Å; Y150-F245 AromaticContact CD2-CE2 3.56Å; Y150-F245 HydrophobicContact CD2-CE2 3.56Å; Y150-F245 HydrophobicContact CD2-CZ 4.37Å; Y150-F245 HydrophobicContact CE2-CE2 4.5Å; Y150-F245 AromaticContact CG-CE2 3.76Å; Y150-F245 HydrophobicContact CG-CE2 3.76Å; Y150-F245 HydrophobicContact CG-CZ 4.46Å; L241-F245 WeakPolarHBondContact O-CB 3.37Å; L241-F245 PolarHBondContact O-N 3.49Å; L242-F245 HydrophobicContact CD1-CD1 4.43Å; L242-F245 CarbonylContact O-C 3.39Å; L242-F245 VanDerWaalsContact O-CB 3.26Å; L242-F245 WeakPolarHBondContact O-CB 3.43Å; L242-F245 PolarHBondContact O-N 2.78Å; L243-F245 PolarHBondContact O-N 2.93Å; F245-H249 PolarHBondContact O-N 3.39Å |
| 246 | L | 55.9 | Low | 55.7 | Low | 46 Ų | 46 | 100.1 Ų | 100.1 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.2 | -76.9 | 162.3 | 0 | 0 | 0 | 112.5 | L242 L243 H249 K250 A268 | L242-L246 HydrophobicContact CD2-CD1 4.45Å; L242-L246 HydrophobicContact CG-CD1 4.07Å; L242-L246 WeakPolarHBondContact O-CG 3.26Å; L242-L246 PolarHBondContact O-N 3.17Å; L243-L246 PolarHBondContact O-N 2.76Å; L243-L246 VanDerWaalsContact O-N 3.11Å; L246-H249 PolarHBondContact O-N 2.85Å; L246-K250 PolarHBondContact O-N 2.84Å; L246-A268 HydrophobicContact CD1-CB 4.18Å |
| 247 | C | 57.5 | Low | 54.9 | Low | 67 Ų | 67 | 102 Ų | 102 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.9 | -39.4 | -178.8 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | L243 H249 K250 | L243-C247 WeakPolarHBondContact O-CB 3.28Å; L243-C247 PolarHBondContact O-N 2.96Å; L243-C247 PolarHBondContact O-SG 3.24Å; L243-C247 VanDerWaalsContact O-SG 3.36Å; C247-H249 PolarHBondContact O-N 2.76Å; C247-K250 PolarHBondContact O-N 3.26Å |
| 248 | R | 55.8 | Low | 53.7 | Low | 186 Ų | 186 | 107.6 Ų | 107.6 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -20.1 | 175 | -72.3 | -79.3 | 172.2 | 153.4 | -3.6 | 112.8 | R244 | R244-R248 VanDerWaalsContact O-CB 3.23Å; R244-R248 WeakPolarHBondContact O-CB 3.25Å; R244-R248 WeakPolarHBondContact O-CG 3.29Å; R244-R248 PolarHBondContact O-N 2.8Å |
| 249 | H | 48.8 | Very low | 52.7 | Low | 105 Ų | 105 | 116 Ų | 116 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -101 | -24.7 | -178 | -165.6 | -79.4 | 0 | 0 | 0 | 114.2 | F245 L246 C247 L251 | F245-H249 PolarHBondContact O-N 3.39Å; L246-H249 PolarHBondContact O-N 2.85Å; C247-H249 PolarHBondContact O-N 2.76Å; H249-L251 PolarHBondContact O-N 2.87Å |
| 250 | K | 50.6 | Low | 51.7 | Low | 197 Ų | 197 | 118.2 Ų | 118.2 | 86% | 0.857 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.4 | -18.7 | 170 | -86.9 | -161.6 | 176.2 | -174.3 | 0 | 113.4 | L246 C247 | L246-K250 PolarHBondContact O-N 2.84Å; C247-K250 PolarHBondContact O-N 3.26Å |
| 251 | L | 45 | Very low | 50.9 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 81% | 0.806 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -1.5 | -172.7 | -71.8 | 164.5 | 0 | 0 | 0 | 115.2 | H249 | H249-L251 PolarHBondContact O-N 2.87Š|
| 252 | K | 42.5 | Very low | 50.3 | Low | 179 Ų | 179 | 115.9 Ų | 115.9 | 78% | 0.778 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -127.7 | 96.4 | 176.8 | -93 | -179.2 | 171.5 | -180 | 0 | 110.3 | ||
| 253 | G | 47.1 | Very low | 49.7 | Very low | 79 Ų | 79 | 117.8 Ų | 117.8 | 81% | 0.814 | 59% | 0.589 | S | S | * | * | trans | -64.8 | 162.5 | -172 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 254 | S | 40.9 | Very low | 49.3 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | 176.6 | 121.8 | 127.7 | -167.6 | 0 | 0 | 0 | 0 | 112.8 | N256 | S254-N256 PolarHBondContact O-N 3.12Š| |||
| 255 | S | 43.7 | Very low | 48.7 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 32.4 | -0.6 | 149.2 | 75 | 0 | 0 | 0 | 0 | 125.7 | ||
| 256 | N | 48.7 | Very low | 48.6 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | trans | -122.9 | 49.5 | 170 | -120.1 | -31.2 | 0 | 0 | 0 | 112.2 | S254 | S254-N256 PolarHBondContact O-N 3.12Š| ||
| 257 | T | 50.4 | Low | 48.5 | Very low | 96 Ų | 96 | 112.2 Ų | 112.2 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.7 | -30.5 | -156.7 | -39.6 | 0 | 0 | 0 | 0 | 113.7 | A261 | T257-A261 WeakPolarHBondContact O-CB 3.24Å; T257-A261 PolarHBondContact O-N 3.21Å |
| 258 | R | 43 | Very low | 48.5 | Very low | 222 Ų | 222 | 110.1 Ų | 110.1 | 84% | 0.838 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.6 | -49.6 | -168.2 | -129.5 | 171.7 | -177 | 177.5 | 0.5 | 113.2 | D262 | R258-D262 PolarHBondContact O-N 3.19Å |
| 259 | R | 45.5 | Very low | 48.8 | Very low | 194 Ų | 194 | 104.7 Ų | 104.7 | 73% | 0.732 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -76.2 | -26.6 | -177.8 | -137.6 | 176.9 | -175.2 | -179.6 | 0.4 | 113.4 | I263 | R259-I263 WeakPolarHBondContact O-CD1 3.18Å; R259-I263 WeakPolarHBondContact O-CG1 3.27Å |
| 260 | K | 43.9 | Very low | 49.3 | Very low | 108 Ų | 108 | 99.8 Ų | 99.8 | 47% | 0.47 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -82.4 | -36.6 | 176.3 | -71.5 | -176.2 | 177.9 | -178.6 | 0 | 112.4 | S264 | K260-S264 PolarHBondContact O-N 2.78Å; K260-S264 PolarHBondContact O-OG 2.93Å |
| 261 | A | 48.3 | Very low | 49.8 | Very low | 38 Ų | 38 | 91 Ų | 91 | 31% | 0.314 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | T257 I263 S264 K265 | T257-A261 WeakPolarHBondContact O-CB 3.24Å; T257-A261 PolarHBondContact O-N 3.21Å; A261-I263 PolarHBondContact O-N 3.25Å; A261-S264 WeakPolarHBondContact CA-OG 3.41Å; A261-S264 PolarHBondContact O-N 3.29Å; A261-S264 PolarHBondContact O-OG 3.47Å; A261-K265 WeakPolarHBondContact O-CB 3.14Å; A261-K265 PolarHBondContact O-N 3.5Å |
| 262 | D | 49.6 | Very low | 50.6 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 179.5 | -71.9 | -16.7 | 0 | 0 | 0 | 112.1 | R258 S266 | R258-D262 PolarHBondContact O-N 3.19Å; D262-S266 PolarHBondContact O-N 3.46Å; D262-S266 VanDerWaalsContact O-N 3.17Å |
| 263 | I | 49 | Very low | 51.7 | Low | 56 Ų | 56 | 81.7 Ų | 81.7 | 29% | 0.287 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -80.2 | -38.7 | -178.5 | -61 | 175.8 | 0 | 0 | 0 | 111.4 | R259 A261 K265 S266 V267 | R259-I263 WeakPolarHBondContact O-CD1 3.18Å; R259-I263 WeakPolarHBondContact O-CG1 3.27Å; A261-I263 PolarHBondContact O-N 3.25Å; I263-K265 VanDerWaalsContact C-N 3.34Å; I263-S266 WeakPolarHBondContact O-CB 3.42Å; I263-S266 PolarHBondContact O-N 3.04Å; I263-V267 PolarHBondContact O-N 3.27Å; I263-V267 VanDerWaalsContact O-N 3.16Å |
| 264 | S | 50.3 | Low | 52.5 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.3 | -33.9 | 173 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | K260 A261 S266 V267 A268 | K260-S264 PolarHBondContact O-N 2.78Å; K260-S264 PolarHBondContact O-OG 2.93Å; A261-S264 WeakPolarHBondContact CA-OG 3.41Å; A261-S264 PolarHBondContact O-N 3.29Å; A261-S264 PolarHBondContact O-OG 3.47Å; S264-S266 VanDerWaalsContact C-N 3.33Å; S264-V267 PolarHBondContact O-N 3.05Å; S264-A268 WeakPolarHBondContact O-CB 3.23Å; S264-A268 PolarHBondContact O-N 3.09Å |
| 265 | K | 52.6 | Low | 53.6 | Low | 151 Ų | 151 | 75.4 Ų | 75.4 | 66% | 0.657 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 172 | -115.9 | -178.7 | 175.6 | -179.1 | 0 | 110.6 | A261 I263 A268 V269 | A261-K265 WeakPolarHBondContact O-CB 3.14Å; A261-K265 PolarHBondContact O-N 3.5Å; I263-K265 VanDerWaalsContact C-N 3.34Å; K265-A268 PolarHBondContact O-N 2.99Å; K265-V269 WeakPolarHBondContact O-CB 3.27Å; K265-V269 WeakPolarHBondContact O-CG2 3.43Å; K265-V269 PolarHBondContact O-N 2.87Å |
| 266 | S | 51.2 | Low | 54.6 | Low | 7 Ų | 7 | 73.2 Ų | 73.2 | 5% | 0.049 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 177.4 | 162.3 | 0 | 0 | 0 | 0 | 113.6 | D262 I263 S264 A268 V269 V270 V331 | D262-S266 PolarHBondContact O-N 3.46Å; D262-S266 VanDerWaalsContact O-N 3.17Å; I263-S266 WeakPolarHBondContact O-CB 3.42Å; I263-S266 PolarHBondContact O-N 3.04Å; S264-S266 VanDerWaalsContact C-N 3.33Å; S266-A268 VanDerWaalsContact C-N 3.3Å; S266-A268 PolarHBondContact O-N 3.41Å; S266-V269 PolarHBondContact O-N 2.91Å; S266-V269 VanDerWaalsContact O-N 3.16Å; S266-V270 WeakPolarHBondContact O-CG2 3.12Å; S266-V270 PolarHBondContact O-N 3.02Å; S266-V331 WeakPolarHBondContact OG-CB 3.4Å; S266-V331 WeakPolarHBondContact OG-CG1 3.46Å; S266-V331 WeakPolarHBondContact OG-CG2 3.48Å |
| 267 | V | 54.6 | Low | 55.6 | Low | 22 Ų | 22 | 67.6 Ų | 67.6 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | -179.2 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | L242 I263 S264 V269 V270 V271 | L242-V267 HydrophobicContact CD1-CG1 4.48Å; I263-V267 PolarHBondContact O-N 3.27Å; I263-V267 VanDerWaalsContact O-N 3.16Å; S264-V267 PolarHBondContact O-N 3.05Å; V267-V269 VanDerWaalsContact C-N 3.35Å; V267-V270 PolarHBondContact O-N 2.81Å; V267-V271 VanDerWaalsContact O-CG2 3.25Å; V267-V271 WeakPolarHBondContact O-CG2 3.25Å; V267-V271 PolarHBondContact O-N 3.5Å |
| 268 | A | 57.5 | Low | 56.4 | Low | 22 Ų | 22 | 63.8 Ų | 63.8 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L246 S264 K265 S266 V271 L272 | L246-A268 HydrophobicContact CD1-CB 4.18Å; S264-A268 WeakPolarHBondContact O-CB 3.23Å; S264-A268 PolarHBondContact O-N 3.09Å; K265-A268 PolarHBondContact O-N 2.99Å; S266-A268 VanDerWaalsContact C-N 3.3Å; S266-A268 PolarHBondContact O-N 3.41Å; A268-V271 PolarHBondContact O-N 2.88Å; A268-L272 VanDerWaalsContact O-CB 3.27Å; A268-L272 WeakPolarHBondContact O-CB 3.41Å; A268-L272 WeakPolarHBondContact O-CG 3.02Å; A268-L272 PolarHBondContact O-N 2.88Å |
| 269 | V | 61.5 | Low | 57.5 | Low | 72 Ų | 72 | 59.4 Ų | 59.4 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 175.2 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | K265 S266 V267 V271 L272 T273 | K265-V269 WeakPolarHBondContact O-CB 3.27Å; K265-V269 WeakPolarHBondContact O-CG2 3.43Å; K265-V269 PolarHBondContact O-N 2.87Å; S266-V269 PolarHBondContact O-N 2.91Å; S266-V269 VanDerWaalsContact O-N 3.16Å; V267-V269 VanDerWaalsContact C-N 3.35Å; V269-V271 PolarHBondContact O-N 2.98Å; V269-L272 PolarHBondContact O-N 3.4Å; V269-T273 VanDerWaalsContact O-CB 3.29Å; V269-T273 WeakPolarHBondContact O-CB 3.5Å; V269-T273 PolarHBondContact O-N 3.29Å; V269-T273 PolarHBondContact O-OG1 2.94Å |
| 270 | V | 60.5 | Low | 58.5 | Low | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.4 | -44.5 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L142 S266 V267 F274 I327 | L142-V270 HydrophobicContact CD1-CG1 4.29Å; L142-V270 HydrophobicContact CD2-CG1 3.68Å; S266-V270 WeakPolarHBondContact O-CG2 3.12Å; S266-V270 PolarHBondContact O-N 3.02Å; V267-V270 PolarHBondContact O-N 2.81Å; V270-F274 WeakPolarHBondContact O-CB 3.33Å; V270-F274 PolarHBondContact O-N 3.41Å; V270-I327 HydrophobicContact CB-CD1 4.38Å; V270-I327 HydrophobicContact CG2-CB 3.89Å; V270-I327 HydrophobicContact CG2-CD1 3.84Å; V270-I327 HydrophobicContact CG2-CG1 4.45Å; V270-I327 HydrophobicContact CG2-CG2 3.29Å |
| 271 | V | 59.3 | Low | 59.7 | Low | 13 Ų | 13 | 48.1 Ų | 48.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.1 | -38.3 | -175.1 | 177.3 | 0 | 0 | 0 | 0 | 112 | Y239 L242 V267 A268 V269 T273 F274 C275 | Y239-V271 HydrophobicContact CD2-CG1 3.55Å; Y239-V271 HydrophobicContact CE2-CG1 3.84Å; L242-V271 HydrophobicContact CD2-CB 3.69Å; L242-V271 HydrophobicContact CD2-CG1 3.48Å; L242-V271 VanDerWaalsContact CD2-CG1 3.48Å; L242-V271 HydrophobicContact CD2-CG2 3.52Å; V267-V271 VanDerWaalsContact O-CG2 3.25Å; V267-V271 WeakPolarHBondContact O-CG2 3.25Å; V267-V271 PolarHBondContact O-N 3.5Å; A268-V271 PolarHBondContact O-N 2.88Å; V269-V271 PolarHBondContact O-N 2.98Å; V271-T273 VanDerWaalsContact C-N 3.33Å; V271-F274 PolarHBondContact O-N 3.42Å; V271-C275 PolarHBondContact O-N 3.39Å; V271-C275 PolarHBondContact O-SG 3.37Å |
| 272 | L | 62.6 | Low | 60.5 | Low | 97 Ų | 97 | 47.4 Ų | 47.4 | 51% | 0.508 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 172.8 | -74.1 | 169.9 | 0 | 0 | 0 | 111.4 | A268 V269 C275 A276 | A268-L272 VanDerWaalsContact O-CB 3.27Å; A268-L272 WeakPolarHBondContact O-CB 3.41Å; A268-L272 WeakPolarHBondContact O-CG 3.02Å; A268-L272 PolarHBondContact O-N 2.88Å; V269-L272 PolarHBondContact O-N 3.4Å; L272-C275 PolarHBondContact O-N 3.24Å; L272-A276 VanDerWaalsContact O-CB 3.27Å; L272-A276 WeakPolarHBondContact O-CB 3.45Å; L272-A276 PolarHBondContact O-N 2.99Å |
| 273 | T | 65.7 | Low | 61.3 | Low | 39 Ų | 39 | 45.7 Ų | 45.7 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 173.1 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | V269 V271 A276 C277 F323 | V269-T273 VanDerWaalsContact O-CB 3.29Å; V269-T273 WeakPolarHBondContact O-CB 3.5Å; V269-T273 PolarHBondContact O-N 3.29Å; V269-T273 PolarHBondContact O-OG1 2.94Å; V271-T273 VanDerWaalsContact C-N 3.33Å; T273-A276 PolarHBondContact O-N 3Å; T273-C277 WeakPolarHBondContact O-CB 3.25Å; T273-C277 PolarHBondContact O-N 2.93Å; T273-C277 PolarHBondContact O-SG 3.39Å; T273-F323 HydrophobicContact CG2-CB 4.4Å; T273-F323 HydrophobicContact CG2-CD2 3.86Å; T273-F323 HydrophobicContact CG2-CE2 4.43Å; T273-F323 HydrophobicContact CG2-CG 4.26Å |
| 274 | F | 64.7 | Low | 62 | Low | 12 Ų | 12 | 44 Ų | 44 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -51.5 | 174.1 | -173 | -90.4 | 0 | 0 | 0 | 111.1 | I235 V270 V271 A276 C277 W278 | I235-F274 HydrophobicContact CG2-CE1 4.5Å; V270-F274 WeakPolarHBondContact O-CB 3.33Å; V270-F274 PolarHBondContact O-N 3.41Å; V271-F274 PolarHBondContact O-N 3.42Å; F274-A276 PolarHBondContact O-N 3.13Å; F274-C277 PolarHBondContact O-N 3.07Å; F274-W278 AromaticContact CD1-CD1 3.78Å; F274-W278 HydrophobicContact CD1-CG 4.41Å; F274-W278 AromaticContact CD2-CD1 3.6Å; F274-W278 AromaticContact CD2-NE1 3.49Å; F274-W278 AromaticContact CE1-CD1 3.69Å; F274-W278 HydrophobicContact CE1-CG 4.1Å; F274-W278 AromaticContact CE1-NE1 4Å; F274-W278 AromaticContact CE2-CD1 3.53Å; F274-W278 AromaticContact CE2-CE2 3.89Å; F274-W278 HydrophobicContact CE2-CG 4.48Å; F274-W278 AromaticContact CE2-NE1 3.08Å; F274-W278 AromaticContact CG-CD1 3.73Å; F274-W278 AromaticContact CZ-CD1 3.57Å; F274-W278 HydrophobicContact CZ-CD2 4.28Å; F274-W278 AromaticContact CZ-CE2 3.87Å; F274-W278 HydrophobicContact CZ-CG 4.13Å; F274-W278 AromaticContact CZ-NE1 3.37Å; F274-W278 WeakPolarHBondContact O-CB 3.41Å; F274-W278 PolarHBondContact O-N 3.48Å |
| 275 | C | 63.7 | Low | 62.7 | Low | 39 Ų | 39 | 42.3 Ų | 42.3 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 178 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | V271 L272 C277 W278 F279 | V271-C275 PolarHBondContact O-N 3.39Å; V271-C275 PolarHBondContact O-SG 3.37Å; L272-C275 PolarHBondContact O-N 3.24Å; C275-C277 PolarHBondContact O-N 3.23Å; C275-W278 PolarHBondContact O-N 3.23Å; C275-F279 WeakPolarHBondContact O-CB 3.24Å; C275-F279 PolarHBondContact O-N 2.86Å |
| 276 | A | 65.1 | Low | 63.2 | Low | 62 Ų | 62 | 38.1 Ų | 38.1 | 51% | 0.512 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L272 T273 F274 P280 | L272-A276 VanDerWaalsContact O-CB 3.27Å; L272-A276 WeakPolarHBondContact O-CB 3.45Å; L272-A276 PolarHBondContact O-N 2.99Å; T273-A276 PolarHBondContact O-N 3Å; F274-A276 PolarHBondContact O-N 3.13Å; A276-P280 WeakPolarHBondContact O-CD 3.43Å |
| 277 | C | 68.4 | Low | 63.8 | Low | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 177 | -78.8 | 0 | 0 | 0 | 0 | 112.6 | T273 F274 C275 L316 A317 | T273-C277 WeakPolarHBondContact O-CB 3.25Å; T273-C277 PolarHBondContact O-N 2.93Å; T273-C277 PolarHBondContact O-SG 3.39Å; F274-C277 PolarHBondContact O-N 3.07Å; C275-C277 PolarHBondContact O-N 3.23Å; C277-L316 VanDerWaalsContact CB-O 3.22Å; C277-L316 WeakPolarHBondContact CB-O 3.3Å; C277-L316 CarbonylContact O-C 3.59Å; C277-L316 PolarHBondContact SG-O 3.18Å; C277-L316 VanDerWaalsContact SG-O 3.39Å; C277-A317 WeakPolarHBondContact O-CA 3.26Å; C277-A317 PolarHBondContact O-N 3.03Å |
| 278 | W | 67.6 | Low | 64.1 | Low | 15 Ų | 15 | 41.1 Ų | 41.1 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -87.1 | -26.8 | -176.3 | -77.3 | 86 | 0 | 0 | 0 | 113.1 | V135 F274 C275 Y281 N282 A317 S320 | V135-W278 HydrophobicContact CB-CH2 4.21Å; V135-W278 HydrophobicContact CG1-CH2 4.18Å; V135-W278 HydrophobicContact CG1-CZ2 4.42Å; V135-W278 HydrophobicContact CG1-CZ3 4.2Å; V135-W278 HydrophobicContact CG2-CH2 3.1Å; V135-W278 HydrophobicContact CG2-CZ2 3.73Å; V135-W278 HydrophobicContact CG2-CZ3 3.65Å; F274-W278 AromaticContact CD1-CD1 3.78Å; F274-W278 HydrophobicContact CD1-CG 4.41Å; F274-W278 AromaticContact CD2-CD1 3.6Å; F274-W278 AromaticContact CD2-NE1 3.49Å; F274-W278 AromaticContact CE1-CD1 3.69Å; F274-W278 HydrophobicContact CE1-CG 4.1Å; F274-W278 AromaticContact CE1-NE1 4Å; F274-W278 AromaticContact CE2-CD1 3.53Å; F274-W278 AromaticContact CE2-CE2 3.89Å; F274-W278 HydrophobicContact CE2-CG 4.48Å; F274-W278 AromaticContact CE2-NE1 3.08Å; F274-W278 AromaticContact CG-CD1 3.73Å; F274-W278 AromaticContact CZ-CD1 3.57Å; F274-W278 HydrophobicContact CZ-CD2 4.28Å; F274-W278 AromaticContact CZ-CE2 3.87Å; F274-W278 HydrophobicContact CZ-CG 4.13Å; F274-W278 AromaticContact CZ-NE1 3.37Å; F274-W278 WeakPolarHBondContact O-CB 3.41Å; F274-W278 PolarHBondContact O-N 3.48Å; C275-W278 PolarHBondContact O-N 3.23Å; W278-Y281 HydrophobicContact CE3-CD1 4.12Å; W278-Y281 HydrophobicContact CZ3-CD1 4.12Å; W278-Y281 HydrophobicContact CZ3-CE1 4.27Å; W278-Y281 PolarHBondContact O-N 2.71Å; W278-N282 PolarHBondContact O-N 3.12Å; W278-N282 VanDerWaalsContact O-N 3.12Å; W278-N282 PolarHBondContact O-ND2 3.22Å; W278-A317 HydrophobicContact CD2-CB 3.81Å; W278-A317 HydrophobicContact CE3-CB 3.88Å; W278-A317 HydrophobicContact CG-CB 4.32Å; W278-A317 HydrophobicContact CH2-CB 4.09Å; W278-A317 HydrophobicContact CZ2-CB 4.09Å; W278-A317 HydrophobicContact CZ3-CB 4.02Å; W278-S320 PolarHBondContact NE1-OG 3.42Å |
| 279 | F | 66.3 | Low | 64.2 | Low | 131 Ų | 131 | 40.6 Ų | 40.6 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -50.9 | -52.3 | -177.4 | -177.4 | -100 | 0 | 0 | 0 | 114.6 | C275 Y281 N282 V283 | C275-F279 WeakPolarHBondContact O-CB 3.24Å; C275-F279 PolarHBondContact O-N 2.86Å; F279-Y281 VanDerWaalsContact C-N 3.3Å; F279-Y281 PolarHBondContact O-N 3.46Å; F279-N282 PolarHBondContact O-N 2.96Å; F279-N282 VanDerWaalsContact O-N 3.15Å; F279-V283 HydrophobicContact CD1-CG2 4.09Å; F279-V283 HydrophobicContact CD2-CG2 4.38Å; F279-V283 HydrophobicContact CE1-CG2 3.67Å; F279-V283 HydrophobicContact CE2-CG2 3.99Å; F279-V283 HydrophobicContact CG-CG2 4.43Å; F279-V283 HydrophobicContact CZ-CG2 3.62Å; F279-V283 WeakPolarHBondContact O-CG2 3.35Å; F279-V283 PolarHBondContact O-N 2.86Å |
| 280 | P | 67.1 | Low | 64.2 | Low | 38 Ų | 38 | 39.4 Ų | 39.4 | 25% | 0.247 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | -177.6 | 23.3 | -31.4 | 0 | 0 | 0 | 112.6 | A276 N282 V283 L284 A313 L316 | A276-P280 WeakPolarHBondContact O-CD 3.43Å; P280-N282 VanDerWaalsContact C-N 3.31Å; P280-N282 PolarHBondContact O-N 3.33Å; P280-V283 PolarHBondContact O-N 3.36Å; P280-L284 WeakPolarHBondContact O-CG 3.47Å; P280-L284 PolarHBondContact O-N 2.73Å; P280-L284 VanDerWaalsContact O-N 3.08Å; P280-A313 HydrophobicContact CB-CB 3.87Å; P280-A313 HydrophobicContact CG-CB 4.28Å; P280-L316 HydrophobicContact CG-CD2 3.49Å; P280-L316 VanDerWaalsContact CG-CD2 3.49Å |
| 281 | Y | 68.1 | Low | 64.2 | Low | 26 Ų | 26 | 40 Ų | 40 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.6 | 172.6 | -98.4 | 0 | 0 | 0 | 110.6 | R188 W278 F279 T285 F310 N314 | R188-Y281 PolarHBondContact NH2-OH 3.44Å; W278-Y281 HydrophobicContact CE3-CD1 4.12Å; W278-Y281 HydrophobicContact CZ3-CD1 4.12Å; W278-Y281 HydrophobicContact CZ3-CE1 4.27Å; W278-Y281 PolarHBondContact O-N 2.71Å; F279-Y281 VanDerWaalsContact C-N 3.3Å; F279-Y281 PolarHBondContact O-N 3.46Å; Y281-T285 VanDerWaalsContact O-CB 3.31Å; Y281-T285 WeakPolarHBondContact O-CB 3.49Å; Y281-T285 PolarHBondContact O-N 3.15Å; Y281-T285 PolarHBondContact O-OG1 3.41Å; Y281-F310 HydrophobicContact CD2-CE2 4.3Å; Y281-F310 HydrophobicContact CD2-CZ 4.41Å; Y281-F310 HydrophobicContact CE2-CE1 4.43Å; Y281-F310 AromaticContact CE2-CE2 3.97Å; Y281-F310 HydrophobicContact CE2-CE2 3.97Å; Y281-F310 AromaticContact CE2-CZ 3.73Å; Y281-F310 HydrophobicContact CE2-CZ 3.73Å; Y281-N314 HydrophobicContact CD2-CB 4.05Å; Y281-N314 WeakPolarHBondContact CD2-OD1 3.49Å; Y281-N314 HydrophobicContact CE2-CB 4.33Å; Y281-N314 WeakPolarHBondContact CE2-OD1 3.41Å |
| 282 | N | 64.8 | Low | 64 | Low | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 178.4 | -72.5 | -74.8 | 0 | 0 | 0 | 112.3 | F228 W278 F279 P280 T285 L286 | F228-N282 HydrophobicContact CE2-CB 4.44Å; F228-N282 WeakPolarHBondContact CE2-O 3.46Å; W278-N282 PolarHBondContact O-N 3.12Å; W278-N282 VanDerWaalsContact O-N 3.12Å; W278-N282 PolarHBondContact O-ND2 3.22Å; F279-N282 PolarHBondContact O-N 2.96Å; F279-N282 VanDerWaalsContact O-N 3.15Å; P280-N282 VanDerWaalsContact C-N 3.31Å; P280-N282 PolarHBondContact O-N 3.33Å; N282-T285 PolarHBondContact O-N 3.39Å; N282-L286 VanDerWaalsContact O-CB 3.31Å; N282-L286 WeakPolarHBondContact O-CB 3.29Å; N282-L286 PolarHBondContact O-N 3.42Å |
| 283 | V | 67.4 | Low | 63.7 | Low | 67 Ų | 67 | 41.1 Ų | 41.1 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | F279 P280 L286 W287 | F279-V283 HydrophobicContact CD1-CG2 4.09Å; F279-V283 HydrophobicContact CD2-CG2 4.38Å; F279-V283 HydrophobicContact CE1-CG2 3.67Å; F279-V283 HydrophobicContact CE2-CG2 3.99Å; F279-V283 HydrophobicContact CG-CG2 4.43Å; F279-V283 HydrophobicContact CZ-CG2 3.62Å; F279-V283 WeakPolarHBondContact O-CG2 3.35Å; F279-V283 PolarHBondContact O-N 2.86Å; P280-V283 PolarHBondContact O-N 3.36Å; V283-L286 WeakPolarHBondContact O-CB 3.42Å; V283-L286 PolarHBondContact O-N 2.89Å; V283-W287 PolarHBondContact O-N 2.97Å |
| 284 | L | 64.3 | Low | 63.3 | Low | 21 Ų | 21 | 46.1 Ų | 46.1 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.7 | -40.7 | 179.6 | -65.5 | 169.7 | 0 | 0 | 0 | 111.6 | P280 L286 W287 S288 A305 F309 F310 A313 | P280-L284 WeakPolarHBondContact O-CG 3.47Å; P280-L284 PolarHBondContact O-N 2.73Å; P280-L284 VanDerWaalsContact O-N 3.08Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.04Å; L284-W287 HydrophobicContact CD2-CE3 4.26Å; L284-W287 PolarHBondContact O-N 3.39Å; L284-S288 PolarHBondContact O-N 3.43Å; L284-S288 PolarHBondContact O-OG 3.43Å; L284-A305 HydrophobicContact CD2-CB 4.22Å; L284-F309 HydrophobicContact CD1-CB 3.63Å; L284-F309 VanDerWaalsContact CD1-O 3.27Å; L284-F309 WeakPolarHBondContact CD1-O 3.27Å; L284-F309 HydrophobicContact CD2-CB 4.16Å; L284-F310 HydrophobicContact CB-CD2 3.99Å; L284-F310 HydrophobicContact CD1-CB 4.35Å; L284-A313 HydrophobicContact CD1-CB 3.63Å |
| 285 | T | 63.5 | Low | 63 | Low | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | Y281 N282 S288 V289 | Y281-T285 VanDerWaalsContact O-CB 3.31Å; Y281-T285 WeakPolarHBondContact O-CB 3.49Å; Y281-T285 PolarHBondContact O-N 3.15Å; Y281-T285 PolarHBondContact O-OG1 3.41Å; N282-T285 PolarHBondContact O-N 3.39Å; T285-S288 PolarHBondContact O-N 3.49Å; T285-V289 WeakPolarHBondContact O-CB 2.99Å; T285-V289 VanDerWaalsContact O-CG2 3.27Å; T285-V289 WeakPolarHBondContact O-CG2 3.45Å; T285-V289 PolarHBondContact O-N 2.86Å |
| 286 | L | 63.3 | Low | 62.6 | Low | 64 Ų | 64 | 52.3 Ų | 52.3 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.6 | 177.4 | 62.4 | 0 | 0 | 0 | 110.8 | F228 N282 V283 L284 S288 V289 L290 | F228-L286 HydrophobicContact CD1-CD1 4.06Å; F228-L286 HydrophobicContact CD2-CB 4.22Å; F228-L286 HydrophobicContact CE1-CD1 3.55Å; F228-L286 HydrophobicContact CE1-CG 4.45Å; F228-L286 HydrophobicContact CE2-CB 3.63Å; F228-L286 HydrophobicContact CE2-CD1 4.18Å; F228-L286 HydrophobicContact CE2-CG 4.34Å; F228-L286 HydrophobicContact CZ-CB 3.82Å; F228-L286 HydrophobicContact CZ-CD1 3.62Å; F228-L286 HydrophobicContact CZ-CD2 4.03Å; F228-L286 HydrophobicContact CZ-CG 4.02Å; N282-L286 VanDerWaalsContact O-CB 3.31Å; N282-L286 WeakPolarHBondContact O-CB 3.29Å; N282-L286 PolarHBondContact O-N 3.42Å; V283-L286 WeakPolarHBondContact O-CB 3.42Å; V283-L286 PolarHBondContact O-N 2.89Å; L284-L286 VanDerWaalsContact C-N 3.3Å; L284-L286 PolarHBondContact O-N 3.04Å; L286-S288 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 3.11Å; L286-V289 PolarHBondContact O-N 3.22Å; L286-L290 HydrophobicContact CD1-CD1 3.34Å; L286-L290 HydrophobicContact CG-CD1 3.9Å; L286-L290 VanDerWaalsContact O-CD1 3.23Å; L286-L290 WeakPolarHBondContact O-CD1 3.31Å; L286-L290 PolarHBondContact O-N 3.37Å |
| 287 | W | 63.4 | Low | 62 | Low | 79 Ų | 79 | 56 Ų | 56 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 179.1 | -165.2 | 6.9 | 0 | 0 | 0 | 111.8 | V283 L284 V289 L290 I291 F302 A305 | V283-W287 PolarHBondContact O-N 2.97Å; L284-W287 HydrophobicContact CD2-CE3 4.26Å; L284-W287 PolarHBondContact O-N 3.39Å; W287-V289 VanDerWaalsContact C-N 3.32Å; W287-V289 PolarHBondContact O-N 3.46Å; W287-L290 PolarHBondContact O-N 3.04Å; W287-I291 WeakPolarHBondContact O-CG1 3.28Å; W287-I291 PolarHBondContact O-N 3.39Å; W287-F302 AromaticContact CD2-CD2 3.96Å; W287-F302 HydrophobicContact CD2-CD2 3.96Å; W287-F302 HydrophobicContact CE3-CD2 4.48Å; W287-F302 HydrophobicContact CG-CD2 4.07Å; W287-F302 HydrophobicContact CG-CE2 4.4Å; W287-F302 HydrophobicContact CZ2-CB 4.09Å; W287-A305 HydrophobicContact CE3-CB 4.04Å; W287-A305 HydrophobicContact CH2-CB 4.12Å; W287-A305 HydrophobicContact CZ3-CB 3.41Å; W287-A305 VanDerWaalsContact CZ3-CB 3.41Å |
| 288 | S | 61 | Low | 61.2 | Low | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 175.1 | -45 | 0 | 0 | 0 | 0 | 113.2 | L284 T285 L286 Q292 F302 Q306 | L284-S288 PolarHBondContact O-N 3.43Å; L284-S288 PolarHBondContact O-OG 3.43Å; T285-S288 PolarHBondContact O-N 3.49Å; L286-S288 VanDerWaalsContact C-N 3.33Å; L286-S288 PolarHBondContact O-N 3.11Å; S288-Q292 WeakPolarHBondContact O-CG 3.47Å; S288-Q292 PolarHBondContact O-N 3.41Å; S288-F302 VanDerWaalsContact CA-CE2 3.48Å; S288-Q306 PolarHBondContact OG-OE1 2.86Å |
| 289 | V | 60 | Low | 60.9 | Low | 12 Ų | 12 | 64 Ų | 64 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.8 | -38.1 | -179.9 | 169 | 0 | 0 | 0 | 0 | 111.4 | V224 T285 L286 W287 I291 Q292 L293 | V224-V289 HydrophobicContact CB-CG1 3.93Å; V224-V289 HydrophobicContact CG1-CG1 3.96Å; V224-V289 HydrophobicContact CG2-CG1 3.2Å; T285-V289 WeakPolarHBondContact O-CB 2.99Å; T285-V289 VanDerWaalsContact O-CG2 3.27Å; T285-V289 WeakPolarHBondContact O-CG2 3.45Å; T285-V289 PolarHBondContact O-N 2.86Å; L286-V289 PolarHBondContact O-N 3.22Å; W287-V289 VanDerWaalsContact C-N 3.32Å; W287-V289 PolarHBondContact O-N 3.46Å; V289-I291 VanDerWaalsContact C-N 3.28Å; V289-I291 PolarHBondContact O-N 3.21Å; V289-Q292 PolarHBondContact O-N 3.11Å; V289-L293 HydrophobicContact CG1-CD1 4.29Å; V289-L293 WeakPolarHBondContact O-CG 3.07Å; V289-L293 PolarHBondContact O-N 3Å |
| 290 | L | 61.4 | Low | 60.4 | Low | 47 Ų | 47 | 66.5 Ų | 66.5 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -35.5 | 177.6 | -97.5 | 65.5 | 0 | 0 | 0 | 112.4 | L286 W287 L293 I295 I296 | L286-L290 HydrophobicContact CD1-CD1 3.34Å; L286-L290 HydrophobicContact CG-CD1 3.9Å; L286-L290 VanDerWaalsContact O-CD1 3.23Å; L286-L290 WeakPolarHBondContact O-CD1 3.31Å; L286-L290 PolarHBondContact O-N 3.37Å; W287-L290 PolarHBondContact O-N 3.04Å; L290-L293 PolarHBondContact O-N 3.42Å; L290-I295 PolarHBondContact O-N 3.23Å; L290-I296 HydrophobicContact CB-CD1 3.94Å; L290-I296 HydrophobicContact CB-CG1 4.3Å; L290-I296 HydrophobicContact CD2-CD1 3.62Å; L290-I296 HydrophobicContact CD2-CG1 4.44Å; L290-I296 HydrophobicContact CG-CD1 4.34Å |
| 291 | I | 60.1 | Low | 60.1 | Low | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.5 | -37.1 | 175.7 | -64.4 | 178 | 0 | 0 | 0 | 111.3 | W287 V289 L293 D294 I296 M298 F302 | W287-I291 WeakPolarHBondContact O-CG1 3.28Å; W287-I291 PolarHBondContact O-N 3.39Å; V289-I291 VanDerWaalsContact C-N 3.28Å; V289-I291 PolarHBondContact O-N 3.21Å; I291-L293 PolarHBondContact O-N 2.69Å; I291-D294 PolarHBondContact O-N 3.08Å; I291-I296 HydrophobicContact CG1-CB 3.98Å; I291-I296 HydrophobicContact CG1-CG2 4.15Å; I291-I296 WeakPolarHBondContact CG1-O 3.14Å; I291-M298 HydrophobicContact CD1-SD 4.46Å; I291-M298 HydrophobicContact CG2-CG 3.67Å; I291-M298 HydrophobicContact CG2-SD 3.43Å; I291-M298 WeakPolarHBondContact CG2-SD 3.1Å; I291-F302 HydrophobicContact CD1-CB 3.72Å; I291-F302 HydrophobicContact CD1-CD1 3.45Å; I291-F302 VanDerWaalsContact CD1-CD1 3.45Å; I291-F302 HydrophobicContact CD1-CD2 3.2Å; I291-F302 HydrophobicContact CD1-CE1 3.75Å; I291-F302 HydrophobicContact CD1-CE2 3.53Å; I291-F302 HydrophobicContact CD1-CG 3.13Å; I291-F302 HydrophobicContact CD1-CZ 3.77Å; I291-F302 HydrophobicContact CG1-CD2 4.49Å |
| 292 | Q | 56.3 | Low | 59.7 | Low | 72 Ų | 72 | 67.9 Ų | 67.9 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.4 | -17.1 | 174 | -74.5 | 179.9 | -4.8 | 0 | 0 | 114.2 | R223 S288 V289 D294 | R223-Q292 VanDerWaalsContact CZ-CD 3.45Å; R223-Q292 VanDerWaalsContact NE-OE1 3.07Å; R223-Q292 VanDerWaalsContact NH2-NE2 3.11Å; S288-Q292 WeakPolarHBondContact O-CG 3.47Å; S288-Q292 PolarHBondContact O-N 3.41Å; V289-Q292 PolarHBondContact O-N 3.11Å; Q292-D294 VanDerWaalsContact C-N 3.31Å |
| 293 | L | 55.6 | Low | 59.5 | Low | 61 Ų | 61 | 74.4 Ų | 74.4 | 32% | 0.319 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 3.9 | 171.9 | -72.6 | 176 | 0 | 0 | 0 | 113.1 | Q220 V224 V289 L290 I291 I295 | Q220-L293 HydrophobicContact CB-CD2 3.83Å; Q220-L293 HydrophobicContact CG-CD2 4.49Å; V224-L293 HydrophobicContact CG2-CD1 3.7Å; V224-L293 HydrophobicContact CG2-CD2 4.06Å; V224-L293 HydrophobicContact CG2-CG 4.05Å; V289-L293 HydrophobicContact CG1-CD1 4.29Å; V289-L293 WeakPolarHBondContact O-CG 3.07Å; V289-L293 PolarHBondContact O-N 3Å; L290-L293 PolarHBondContact O-N 3.42Å; I291-L293 PolarHBondContact O-N 2.69Å; L293-I295 HydrophobicContact CB-CD1 3.74Å; L293-I295 HydrophobicContact CB-CG1 3.81Å; L293-I295 HydrophobicContact CD1-CD1 3.89Å; L293-I295 HydrophobicContact CG-CD1 4.49Å; L293-I295 PolarHBondContact O-N 2.66Å |
| 294 | D | 58 | Low | 59 | Low | 144 Ų | 144 | 73.7 Ų | 73.7 | 77% | 0.77 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 23.8 | -177.7 | -144.8 | 37.4 | 0 | 0 | 0 | 113 | I291 Q292 | I291-D294 PolarHBondContact O-N 3.08Å; Q292-D294 VanDerWaalsContact C-N 3.31Å |
| 295 | I | 57.6 | Low | 58.9 | Low | 116 Ų | 116 | 72.9 Ų | 72.9 | 60% | 0.595 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -85.9 | -27.2 | 178.6 | -60.7 | 174.2 | 0 | 0 | 0 | 110.6 | L290 L293 | L290-I295 PolarHBondContact O-N 3.23Å; L293-I295 HydrophobicContact CB-CD1 3.74Å; L293-I295 HydrophobicContact CB-CG1 3.81Å; L293-I295 HydrophobicContact CD1-CD1 3.89Å; L293-I295 HydrophobicContact CG-CD1 4.49Å; L293-I295 PolarHBondContact O-N 2.66Å |
| 296 | I | 56 | Low | 58.9 | Low | 65 Ų | 65 | 75.3 Ų | 75.3 | 33% | 0.333 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -134.8 | 132.7 | -177.7 | -58.7 | -177.8 | 0 | 0 | 0 | 109 | L290 I291 | L290-I296 HydrophobicContact CB-CD1 3.94Å; L290-I296 HydrophobicContact CB-CG1 4.3Å; L290-I296 HydrophobicContact CD2-CD1 3.62Å; L290-I296 HydrophobicContact CD2-CG1 4.44Å; L290-I296 HydrophobicContact CG-CD1 4.34Å; I291-I296 HydrophobicContact CG1-CB 3.98Å; I291-I296 HydrophobicContact CG1-CG2 4.15Å; I291-I296 WeakPolarHBondContact CG1-O 3.14Å |
| 297 | D | 51.5 | Low | 58.7 | Low | 139 Ų | 139 | 73.3 Ų | 73.3 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | trans | -66.7 | 145.5 | 177.5 | -69 | -44.6 | 0 | 0 | 0 | 113.1 | S299 | D297-S299 PolarHBondContact O-N 3.26Š| ||
| 298 | M | 51.8 | Low | 58.7 | Low | 142 Ų | 142 | 72.7 Ų | 72.7 | 70% | 0.7 | 37% | 0.37 | S | S | * | . | trans | -62.2 | 102 | 172.1 | -77 | -75.7 | -101.8 | 0 | 0 | 110.5 | I291 F302 | I291-M298 HydrophobicContact CD1-SD 4.46Å; I291-M298 HydrophobicContact CG2-CG 3.67Å; I291-M298 HydrophobicContact CG2-SD 3.43Å; I291-M298 WeakPolarHBondContact CG2-SD 3.1Å; M298-F302 HydrophobicContact CE-CD1 4.41Å; M298-F302 HydrophobicContact CE-CE1 4.26Å; M298-F302 HydrophobicContact SD-CD1 3.48Å; M298-F302 WeakPolarHBondContact SD-CD1 3.21Å; M298-F302 HydrophobicContact SD-CE1 3.55Å; M298-F302 VanDerWaalsContact SD-CE1 3.55Å | ||
| 299 | S | 62.4 | Low | 59.1 | Low | 49 Ų | 49 | 78.1 Ų | 78.1 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | trans | -97.2 | 152.9 | 175.3 | 63.8 | 0 | 0 | 0 | 0 | 111.9 | D297 S301 F302 Y303 | D297-S299 PolarHBondContact O-N 3.26Å; S299-S301 PolarHBondContact O-N 3.45Å; S299-S301 VanDerWaalsContact O-N 3.15Å; S299-F302 WeakPolarHBondContact O-CB 3.47Å; S299-F302 PolarHBondContact O-N 3.5Å; S299-F302 PolarHBondContact OG-N 3.05Å; S299-Y303 PolarHBondContact O-N 3.15Å | ||
| 300 | K | 55.7 | Low | 59.4 | Low | 184 Ų | 184 | 79.9 Ų | 79.9 | 80% | 0.8 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -53 | -33.3 | 170.3 | -88.2 | -177.9 | 175.7 | 179.3 | 0 | 112.1 | F302 Y303 S304 | K300-F302 VanDerWaalsContact C-N 3.32Å; K300-F302 PolarHBondContact O-N 2.8Å; K300-Y303 PolarHBondContact O-N 2.96Å; K300-S304 PolarHBondContact O-N 3.38Å; K300-S304 VanDerWaalsContact O-N 3.11Å |
| 301 | S | 60.1 | Low | 59.6 | Low | 79 Ų | 79 | 77.8 Ų | 77.8 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64 | -33.4 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 113.2 | S299 A305 | S299-S301 PolarHBondContact O-N 3.45Å; S299-S301 VanDerWaalsContact O-N 3.15Å; S301-A305 VanDerWaalsContact O-CB 3.24Å; S301-A305 WeakPolarHBondContact O-CB 3.44Å; S301-A305 PolarHBondContact O-N 2.96Å |
| 302 | F | 60.5 | Low | 59.9 | Low | 15 Ų | 15 | 81 Ų | 81 | 7% | 0.066 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.5 | -43.1 | 175.5 | 173.7 | -107.3 | 0 | 0 | 0 | 112.1 | W287 S288 I291 M298 S299 K300 S304 A305 Q306 | W287-F302 AromaticContact CD2-CD2 3.96Å; W287-F302 HydrophobicContact CD2-CD2 3.96Å; W287-F302 HydrophobicContact CE3-CD2 4.48Å; W287-F302 HydrophobicContact CG-CD2 4.07Å; W287-F302 HydrophobicContact CG-CE2 4.4Å; W287-F302 HydrophobicContact CZ2-CB 4.09Å; S288-F302 VanDerWaalsContact CA-CE2 3.48Å; I291-F302 HydrophobicContact CD1-CB 3.72Å; I291-F302 HydrophobicContact CD1-CD1 3.45Å; I291-F302 VanDerWaalsContact CD1-CD1 3.45Å; I291-F302 HydrophobicContact CD1-CD2 3.2Å; I291-F302 HydrophobicContact CD1-CE1 3.75Å; I291-F302 HydrophobicContact CD1-CE2 3.53Å; I291-F302 HydrophobicContact CD1-CG 3.13Å; I291-F302 HydrophobicContact CD1-CZ 3.77Å; I291-F302 HydrophobicContact CG1-CD2 4.49Å; M298-F302 HydrophobicContact CE-CD1 4.41Å; M298-F302 HydrophobicContact CE-CE1 4.26Å; M298-F302 HydrophobicContact SD-CD1 3.48Å; M298-F302 WeakPolarHBondContact SD-CD1 3.21Å; M298-F302 HydrophobicContact SD-CE1 3.55Å; M298-F302 VanDerWaalsContact SD-CE1 3.55Å; S299-F302 WeakPolarHBondContact O-CB 3.47Å; S299-F302 PolarHBondContact O-N 3.5Å; S299-F302 PolarHBondContact OG-N 3.05Å; K300-F302 VanDerWaalsContact C-N 3.32Å; K300-F302 PolarHBondContact O-N 2.8Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-S304 PolarHBondContact O-N 3.44Å; F302-A305 PolarHBondContact O-N 2.99Å; F302-A305 VanDerWaalsContact O-N 3.15Å; F302-Q306 WeakPolarHBondContact O-CB 3.2Å; F302-Q306 PolarHBondContact O-N 3.27Å |
| 303 | Y | 58.7 | Low | 60.5 | Low | 160 Ų | 160 | 77.8 Ų | 77.8 | 63% | 0.627 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.1 | -45.7 | 176.4 | -173.6 | -92.5 | 0 | 0 | 0 | 111.3 | S299 K300 Q306 T307 | S299-Y303 PolarHBondContact O-N 3.15Å; K300-Y303 PolarHBondContact O-N 2.96Å; Y303-Q306 PolarHBondContact O-N 3.13Å; Y303-T307 VanDerWaalsContact O-CB 3.29Å; Y303-T307 WeakPolarHBondContact O-CB 3.31Å; Y303-T307 PolarHBondContact O-N 3.36Å; Y303-T307 PolarHBondContact O-OG1 2.91Å |
| 304 | S | 58 | Low | 61.2 | Low | 51 Ų | 51 | 75.8 Ų | 75.8 | 36% | 0.357 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 173.1 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | K300 F302 Q306 T307 Y308 | K300-S304 PolarHBondContact O-N 3.38Å; K300-S304 VanDerWaalsContact O-N 3.11Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-S304 PolarHBondContact O-N 3.44Å; S304-Q306 PolarHBondContact O-N 2.83Å; S304-T307 PolarHBondContact O-N 3.34Å; S304-Y308 WeakPolarHBondContact O-CB 3.21Å; S304-Y308 WeakPolarHBondContact O-CD2 3.2Å; S304-Y308 PolarHBondContact O-N 3.29Å |
| 305 | A | 61.5 | Low | 61.7 | Low | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -67.9 | -35.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L284 W287 S301 F302 F309 F310 | L284-A305 HydrophobicContact CD2-CB 4.22Å; W287-A305 HydrophobicContact CE3-CB 4.04Å; W287-A305 HydrophobicContact CH2-CB 4.12Å; W287-A305 HydrophobicContact CZ3-CB 3.41Å; W287-A305 VanDerWaalsContact CZ3-CB 3.41Å; S301-A305 VanDerWaalsContact O-CB 3.24Å; S301-A305 WeakPolarHBondContact O-CB 3.44Å; S301-A305 PolarHBondContact O-N 2.96Å; F302-A305 PolarHBondContact O-N 2.99Å; F302-A305 VanDerWaalsContact O-N 3.15Å; A305-F309 HydrophobicContact CB-CD2 3.98Å; A305-F309 CarbonylContact O-C 3.56Å; A305-F309 WeakPolarHBondContact O-CA 3.27Å; A305-F309 WeakPolarHBondContact O-CB 3.22Å; A305-F309 PolarHBondContact O-N 3.32Å; A305-F310 PolarHBondContact O-N 2.84Å |
| 306 | Q | 63.3 | Low | 62.2 | Low | 71 Ų | 71 | 67.5 Ų | 67.5 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -74.4 | -33.9 | 176.2 | -164.6 | 125.2 | -32.7 | 0 | 0 | 112.3 | S288 F302 Y303 S304 F310 | S288-Q306 PolarHBondContact OG-OE1 2.86Å; F302-Q306 WeakPolarHBondContact O-CB 3.2Å; F302-Q306 PolarHBondContact O-N 3.27Å; Y303-Q306 PolarHBondContact O-N 3.13Å; S304-Q306 PolarHBondContact O-N 2.83Å; Q306-F310 WeakPolarHBondContact O-CB 3.5Å |
| 307 | T | 59 | Low | 62.9 | Low | 21 Ų | 21 | 64.4 Ų | 64.4 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -77.1 | -40.7 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | Y303 S304 P311 | Y303-T307 VanDerWaalsContact O-CB 3.29Å; Y303-T307 WeakPolarHBondContact O-CB 3.31Å; Y303-T307 PolarHBondContact O-N 3.36Å; Y303-T307 PolarHBondContact O-OG1 2.91Å; S304-T307 PolarHBondContact O-N 3.34Å; T307-P311 WeakPolarHBondContact O-CG 3.31Å |
| 308 | Y | 64.6 | Low | 63.7 | Low | 66 Ų | 66 | 58 Ų | 58 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -104.3 | -49.7 | -172.1 | -56.1 | -61.7 | 0 | 0 | 0 | 113.8 | L49 S304 L312 | L49-Y308 HydrophobicContact CD1-CD1 3.64Å; L49-Y308 HydrophobicContact CD1-CE1 4.11Å; L49-Y308 HydrophobicContact CD2-CD1 3.63Å; L49-Y308 HydrophobicContact CD2-CE1 4.09Å; L49-Y308 HydrophobicContact CG-CD1 4.25Å; S304-Y308 WeakPolarHBondContact O-CB 3.21Å; S304-Y308 WeakPolarHBondContact O-CD2 3.2Å; S304-Y308 PolarHBondContact O-N 3.29Å; Y308-L312 WeakPolarHBondContact O-CD1 3.43Å; Y308-L312 WeakPolarHBondContact O-CG 3.44Å |
| 309 | F | 67.8 | Low | 64.6 | Low | 126 Ų | 126 | 53 Ų | 53 | 55% | 0.553 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -82.2 | -31.7 | -173 | -66.3 | -62.7 | 0 | 0 | 0 | 112.8 | L284 A305 L312 A313 | L284-F309 HydrophobicContact CD1-CB 3.63Å; L284-F309 VanDerWaalsContact CD1-O 3.27Å; L284-F309 WeakPolarHBondContact CD1-O 3.27Å; L284-F309 HydrophobicContact CD2-CB 4.16Å; A305-F309 HydrophobicContact CB-CD2 3.98Å; A305-F309 CarbonylContact O-C 3.56Å; A305-F309 WeakPolarHBondContact O-CA 3.27Å; A305-F309 WeakPolarHBondContact O-CB 3.22Å; A305-F309 PolarHBondContact O-N 3.32Å; F309-L312 PolarHBondContact O-N 2.6Å; F309-A313 VanDerWaalsContact O-CB 3.22Å; F309-A313 WeakPolarHBondContact O-CB 3.4Å; F309-A313 PolarHBondContact O-N 2.95Å |
| 310 | F | 67.1 | Low | 65 | Low | 50 Ų | 50 | 50.9 Ų | 50.9 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | -177.5 | -176.2 | -90.4 | 0 | 0 | 0 | 112.8 | Y281 L284 A305 Q306 L312 A313 N314 | Y281-F310 HydrophobicContact CD2-CE2 4.3Å; Y281-F310 HydrophobicContact CD2-CZ 4.41Å; Y281-F310 HydrophobicContact CE2-CE1 4.43Å; Y281-F310 AromaticContact CE2-CE2 3.97Å; Y281-F310 HydrophobicContact CE2-CE2 3.97Å; Y281-F310 AromaticContact CE2-CZ 3.73Å; Y281-F310 HydrophobicContact CE2-CZ 3.73Å; L284-F310 HydrophobicContact CB-CD2 3.99Å; L284-F310 HydrophobicContact CD1-CB 4.35Å; A305-F310 PolarHBondContact O-N 2.84Å; Q306-F310 WeakPolarHBondContact O-CB 3.5Å; F310-L312 VanDerWaalsContact C-N 3.34Å; F310-L312 PolarHBondContact O-N 3.44Å; F310-A313 PolarHBondContact O-N 3.48Å; F310-N314 WeakPolarHBondContact O-CB 3.22Å; F310-N314 PolarHBondContact O-N 3.39Å |
| 311 | P | 64.9 | Low | 65.7 | Low | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 176.3 | -21.1 | 34.3 | 0 | 0 | 0 | 112.9 | I53 Y115 T307 N314 C315 | I53-P311 HydrophobicContact CD1-CB 3.68Å; I53-P311 HydrophobicContact CD1-CG 4.15Å; I53-P311 HydrophobicContact CG1-CB 4.35Å; I53-P311 HydrophobicContact CG2-CB 3.91Å; Y115-P311 WeakPolarHBondContact OH-CG 3.13Å; T307-P311 WeakPolarHBondContact O-CG 3.31Å; P311-N314 WeakPolarHBondContact O-CB 3.46Å; P311-N314 PolarHBondContact O-N 2.97Å; P311-C315 PolarHBondContact O-N 3.42Å |
| 312 | L | 67.1 | Low | 66 | Low | 82 Ų | 82 | 39.4 Ų | 39.4 | 43% | 0.429 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.1 | -73.8 | 172.5 | 0 | 0 | 0 | 112.1 | Y308 F309 F310 N314 C315 L316 | Y308-L312 WeakPolarHBondContact O-CD1 3.43Å; Y308-L312 WeakPolarHBondContact O-CG 3.44Å; F309-L312 PolarHBondContact O-N 2.6Å; F310-L312 VanDerWaalsContact C-N 3.34Å; F310-L312 PolarHBondContact O-N 3.44Å; L312-N314 VanDerWaalsContact C-N 3.31Å; L312-C315 VanDerWaalsContact O-CB 3.32Å; L312-C315 WeakPolarHBondContact O-CB 3.31Å; L312-C315 PolarHBondContact O-N 2.97Å; L312-L316 PolarHBondContact O-N 3.36Å |
| 313 | A | 69.5 | Low | 66.2 | Low | 6 Ų | 6 | 42.6 Ų | 42.6 | 5% | 0.05 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P280 L284 F309 F310 L316 A317 | P280-A313 HydrophobicContact CB-CB 3.87Å; P280-A313 HydrophobicContact CG-CB 4.28Å; L284-A313 HydrophobicContact CD1-CB 3.63Å; F309-A313 VanDerWaalsContact O-CB 3.22Å; F309-A313 WeakPolarHBondContact O-CB 3.4Å; F309-A313 PolarHBondContact O-N 2.95Å; F310-A313 PolarHBondContact O-N 3.48Å; A313-L316 WeakPolarHBondContact O-CB 3.36Å; A313-L316 PolarHBondContact O-N 3.08Å; A313-A317 PolarHBondContact O-N 2.93Å |
| 314 | N | 69 | Low | 66.6 | Low | 18 Ų | 18 | 35.3 Ų | 35.3 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 173.9 | -154.6 | 34.7 | 0 | 0 | 0 | 111 | Y57 Y281 F310 P311 L312 L316 A317 F318 | Y57-N314 WeakPolarHBondContact OH-CB 3.42Å; Y57-N314 PolarHBondContact OH-ND2 3.19Å; Y281-N314 HydrophobicContact CD2-CB 4.05Å; Y281-N314 WeakPolarHBondContact CD2-OD1 3.49Å; Y281-N314 HydrophobicContact CE2-CB 4.33Å; Y281-N314 WeakPolarHBondContact CE2-OD1 3.41Å; F310-N314 WeakPolarHBondContact O-CB 3.22Å; F310-N314 PolarHBondContact O-N 3.39Å; P311-N314 WeakPolarHBondContact O-CB 3.46Å; P311-N314 PolarHBondContact O-N 2.97Å; L312-N314 VanDerWaalsContact C-N 3.31Å; N314-L316 VanDerWaalsContact C-N 3.32Å; N314-L316 PolarHBondContact O-N 3.2Å; N314-A317 PolarHBondContact O-N 3.22Å; N314-F318 HydrophobicContact CB-CE2 4.26Å; N314-F318 HydrophobicContact CB-CZ 4.48Å; N314-F318 VanDerWaalsContact CG-CE2 3.4Å; N314-F318 VanDerWaalsContact ND2-CE2 3.28Å; N314-F318 WeakPolarHBondContact ND2-CE2 3.49Å; N314-F318 VanDerWaalsContact ND2-CZ 3.31Å; N314-F318 WeakPolarHBondContact ND2-CZ 3.36Å; N314-F318 WeakPolarHBondContact O-CD1 3.44Å; N314-F318 WeakPolarHBondContact O-CD2 3.42Å; N314-F318 WeakPolarHBondContact O-CG 3.45Å; N314-F318 PolarHBondContact O-N 3.41Å; N314-F318 WeakPolarHBondContact OD1-CE1 3.15Å; N314-F318 WeakPolarHBondContact OD1-CZ 3.49Å |
| 315 | C | 68.4 | Low | 66.7 | Low | 11 Ų | 11 | 33.2 Ų | 33.2 | 7% | 0.074 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53 | -49.8 | 168.2 | -81.1 | 0 | 0 | 0 | 0 | 111.5 | V56 Y57 P311 L312 A317 F318 T319 | V56-C315 HydrophobicContact CG1-CB 4.48Å; Y57-C315 WeakPolarHBondContact CD2-SG 3.49Å; Y57-C315 HydrophobicContact CE2-CB 4.46Å; Y57-C315 WeakPolarHBondContact CE2-SG 3.14Å; P311-C315 PolarHBondContact O-N 3.42Å; L312-C315 VanDerWaalsContact O-CB 3.32Å; L312-C315 WeakPolarHBondContact O-CB 3.31Å; L312-C315 PolarHBondContact O-N 2.97Å; C315-A317 VanDerWaalsContact C-N 3.31Å; C315-A317 PolarHBondContact O-N 3.28Å; C315-F318 PolarHBondContact O-N 3.04Å; C315-F318 VanDerWaalsContact O-N 3.07Å; C315-T319 PolarHBondContact O-N 3.42Å; C315-T319 PolarHBondContact O-OG1 3.3Å |
| 316 | L | 69.8 | Low | 66.6 | Low | 75 Ų | 75 | 36.6 Ų | 36.6 | 39% | 0.393 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.3 | -42.4 | -177.6 | -156.1 | 88.2 | 0 | 0 | 0 | 111.6 | C277 P280 L312 A313 N314 F318 T319 | C277-L316 VanDerWaalsContact CB-O 3.22Å; C277-L316 WeakPolarHBondContact CB-O 3.3Å; C277-L316 CarbonylContact O-C 3.59Å; C277-L316 PolarHBondContact SG-O 3.18Å; C277-L316 VanDerWaalsContact SG-O 3.39Å; P280-L316 HydrophobicContact CG-CD2 3.49Å; P280-L316 VanDerWaalsContact CG-CD2 3.49Å; L312-L316 PolarHBondContact O-N 3.36Å; A313-L316 WeakPolarHBondContact O-CB 3.36Å; A313-L316 PolarHBondContact O-N 3.08Å; N314-L316 VanDerWaalsContact C-N 3.32Å; N314-L316 PolarHBondContact O-N 3.2Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 PolarHBondContact O-N 3.18Å; L316-T319 PolarHBondContact O-N 3.19Å |
| 317 | A | 68.9 | Low | 66.6 | Low | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C277 W278 A313 N314 C315 S320 | C277-A317 WeakPolarHBondContact O-CA 3.26Å; C277-A317 PolarHBondContact O-N 3.03Å; W278-A317 HydrophobicContact CD2-CB 3.81Å; W278-A317 HydrophobicContact CE3-CB 3.88Å; W278-A317 HydrophobicContact CG-CB 4.32Å; W278-A317 HydrophobicContact CH2-CB 4.09Å; W278-A317 HydrophobicContact CZ2-CB 4.09Å; W278-A317 HydrophobicContact CZ3-CB 4.02Å; A313-A317 PolarHBondContact O-N 2.93Å; N314-A317 PolarHBondContact O-N 3.22Å; C315-A317 VanDerWaalsContact C-N 3.31Å; C315-A317 PolarHBondContact O-N 3.28Å; A317-S320 VanDerWaalsContact O-CB 3.25Å; A317-S320 WeakPolarHBondContact O-CB 3.36Å; A317-S320 PolarHBondContact O-N 2.95Å; A317-S320 PolarHBondContact O-OG 3.4Å |
| 318 | F | 69.4 | Low | 66.6 | Low | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.5 | -32.6 | -179.7 | -59.1 | -22.3 | 0 | 0 | 0 | 113.3 | Y57 V60 F100 L104 T131 N314 C315 L316 S320 S321 | Y57-F318 HydrophobicContact CD1-CD2 4.46Å; Y57-F318 HydrophobicContact CD1-CE2 4.43Å; Y57-F318 AromaticContact CE1-CD2 3.82Å; Y57-F318 HydrophobicContact CE1-CD2 3.82Å; Y57-F318 AromaticContact CE1-CE2 3.48Å; Y57-F318 HydrophobicContact CE1-CE2 3.48Å; Y57-F318 VanDerWaalsContact CE1-CE2 3.48Å; Y57-F318 AromaticContact CZ-CD2 3.94Å; Y57-F318 AromaticContact CZ-CE2 3.7Å; V60-F318 HydrophobicContact CG1-CB 4.27Å; F100-F318 HydrophobicContact CE1-CB 3.96Å; F100-F318 AromaticContact CE1-CD1 3.45Å; F100-F318 HydrophobicContact CE1-CD1 3.45Å; F100-F318 VanDerWaalsContact CE1-CD1 3.45Å; F100-F318 HydrophobicContact CE1-CE1 4.03Å; F100-F318 AromaticContact CE1-CG 3.74Å; F100-F318 HydrophobicContact CE1-CG 3.74Å; F100-F318 HydrophobicContact CE2-CD1 4.26Å; F100-F318 AromaticContact CE2-CE1 4Å; F100-F318 HydrophobicContact CE2-CE1 4Å; F100-F318 HydrophobicContact CE2-CZ 4.42Å; F100-F318 HydrophobicContact CZ-CB 4.36Å; F100-F318 AromaticContact CZ-CD1 3.14Å; F100-F318 HydrophobicContact CZ-CD1 3.14Å; F100-F318 HydrophobicContact CZ-CD2 4.15Å; F100-F318 AromaticContact CZ-CE1 3.23Å; F100-F318 HydrophobicContact CZ-CE1 3.23Å; F100-F318 HydrophobicContact CZ-CE2 4.2Å; F100-F318 AromaticContact CZ-CG 3.63Å; F100-F318 HydrophobicContact CZ-CG 3.63Å; F100-F318 AromaticContact CZ-CZ 3.75Å; F100-F318 HydrophobicContact CZ-CZ 3.75Å; L104-F318 HydrophobicContact CD2-CB 4.19Å; L104-F318 HydrophobicContact CD2-CD1 4.47Å; L104-F318 HydrophobicContact CD2-CD2 3.35Å; L104-F318 HydrophobicContact CD2-CE2 3.7Å; L104-F318 HydrophobicContact CD2-CG 3.76Å; L104-F318 HydrophobicContact CD2-CZ 4.38Å; T131-F318 HydrophobicContact CG2-CE1 4.47Å; N314-F318 HydrophobicContact CB-CE2 4.26Å; N314-F318 HydrophobicContact CB-CZ 4.48Å; N314-F318 VanDerWaalsContact CG-CE2 3.4Å; N314-F318 VanDerWaalsContact ND2-CE2 3.28Å; N314-F318 WeakPolarHBondContact ND2-CE2 3.49Å; N314-F318 VanDerWaalsContact ND2-CZ 3.31Å; N314-F318 WeakPolarHBondContact ND2-CZ 3.36Å; N314-F318 WeakPolarHBondContact O-CD1 3.44Å; N314-F318 WeakPolarHBondContact O-CD2 3.42Å; N314-F318 WeakPolarHBondContact O-CG 3.45Å; N314-F318 PolarHBondContact O-N 3.41Å; N314-F318 WeakPolarHBondContact OD1-CE1 3.15Å; N314-F318 WeakPolarHBondContact OD1-CZ 3.49Å; C315-F318 PolarHBondContact O-N 3.04Å; C315-F318 VanDerWaalsContact O-N 3.07Å; L316-F318 VanDerWaalsContact C-N 3.31Å; L316-F318 PolarHBondContact O-N 3.18Å; F318-S320 PolarHBondContact O-N 3.28Å; F318-S320 VanDerWaalsContact O-N 3.13Å; F318-S321 WeakPolarHBondContact O-CB 3.32Å; F318-S321 PolarHBondContact O-N 3.32Å; F318-S321 VanDerWaalsContact O-N 3.08Å; F318-S321 PolarHBondContact O-OG 3.32Å |
| 319 | T | 69.9 | Low | 66.3 | Low | 38 Ų | 38 | 31.5 Ų | 31.5 | 23% | 0.233 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -24 | 172.9 | -44 | 0 | 0 | 0 | 0 | 112.1 | C315 L316 S321 C322 F323 | C315-T319 PolarHBondContact O-N 3.42Å; C315-T319 PolarHBondContact O-OG1 3.3Å; L316-T319 PolarHBondContact O-N 3.19Å; T319-S321 PolarHBondContact O-N 3.37Å; T319-C322 WeakPolarHBondContact O-CB 3.36Å; T319-C322 PolarHBondContact O-N 2.75Å; T319-F323 HydrophobicContact CG2-CD2 3.83Å; T319-F323 HydrophobicContact CG2-CE1 4.49Å; T319-F323 HydrophobicContact CG2-CE2 3.22Å; T319-F323 HydrophobicContact CG2-CZ 3.61Å; T319-F323 WeakPolarHBondContact O-CD2 3.33Å; T319-F323 PolarHBondContact O-N 2.95Å |
| 320 | S | 71.6 | Confident | 65.7 | Low | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.6 | -33.5 | 174.7 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | W278 A317 F318 C322 F323 | W278-S320 PolarHBondContact NE1-OG 3.42Å; A317-S320 VanDerWaalsContact O-CB 3.25Å; A317-S320 WeakPolarHBondContact O-CB 3.36Å; A317-S320 PolarHBondContact O-N 2.95Å; A317-S320 PolarHBondContact O-OG 3.4Å; F318-S320 PolarHBondContact O-N 3.28Å; F318-S320 VanDerWaalsContact O-N 3.13Å; S320-C322 VanDerWaalsContact C-N 3.32Å; S320-F323 PolarHBondContact O-N 3.41Å |
| 321 | S | 69.7 | Low | 65 | Low | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -29.8 | 174.8 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | D97 F318 T319 P325 | D97-S321 VanDerWaalsContact OD1-CB 3.24Å; D97-S321 WeakPolarHBondContact OD1-CB 3.44Å; F318-S321 WeakPolarHBondContact O-CB 3.32Å; F318-S321 PolarHBondContact O-N 3.32Å; F318-S321 VanDerWaalsContact O-N 3.08Å; F318-S321 PolarHBondContact O-OG 3.32Å; T319-S321 PolarHBondContact O-N 3.37Å; S321-P325 WeakPolarHBondContact O-CD 3.34Å |
| 322 | C | 66.1 | Low | 64.6 | Low | 20 Ų | 20 | 31.9 Ų | 31.9 | 14% | 0.135 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -81 | -28 | 179 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | V60 G64 T319 S320 P325 | V60-C322 PolarHBondContact O-SG 2.75Å; G64-C322 VanDerWaalsContact CA-SG 3.6Å; T319-C322 WeakPolarHBondContact O-CB 3.36Å; T319-C322 PolarHBondContact O-N 2.75Å; S320-C322 VanDerWaalsContact C-N 3.32Å; C322-P325 WeakPolarHBondContact O-CD 3.38Å |
| 323 | F | 66.1 | Low | 64 | Low | 83 Ų | 83 | 35.1 Ų | 35.1 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73.7 | -26.8 | 178.1 | -73.6 | -57.5 | 0 | 0 | 0 | 113 | T273 T319 S320 V326 I327 | T273-F323 HydrophobicContact CG2-CB 4.4Å; T273-F323 HydrophobicContact CG2-CD2 3.86Å; T273-F323 HydrophobicContact CG2-CE2 4.43Å; T273-F323 HydrophobicContact CG2-CG 4.26Å; T319-F323 HydrophobicContact CG2-CD2 3.83Å; T319-F323 HydrophobicContact CG2-CE1 4.49Å; T319-F323 HydrophobicContact CG2-CE2 3.22Å; T319-F323 HydrophobicContact CG2-CZ 3.61Å; T319-F323 WeakPolarHBondContact O-CD2 3.33Å; T319-F323 PolarHBondContact O-N 2.95Å; S320-F323 PolarHBondContact O-N 3.41Å; F323-V326 PolarHBondContact O-N 3.38Å; F323-I327 HydrophobicContact CB-CD1 3.98Å; F323-I327 WeakPolarHBondContact O-CB 3.47Å; F323-I327 VanDerWaalsContact O-CG1 3.22Å; F323-I327 WeakPolarHBondContact O-CG1 3.23Å; F323-I327 PolarHBondContact O-N 3.4Å |
| 324 | N | 66.7 | Low | 63.5 | Low | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.2 | -54.1 | 179.8 | -72.3 | -22 | 0 | 0 | 0 | 112 | D97 V326 I327 Y328 | D97-N324 PolarHBondContact OD2-ND2 3.25Å; N324-V326 PolarHBondContact O-N 2.95Å; N324-I327 PolarHBondContact O-N 3.01Å; N324-Y328 HydrophobicContact CB-CE2 4.1Å; N324-Y328 WeakPolarHBondContact O-CD2 3.47Å; N324-Y328 WeakPolarHBondContact O-CE2 3.17Å; N324-Y328 PolarHBondContact O-N 3.43Å; N324-Y328 VanDerWaalsContact O-N 3.07Å |
| 325 | P | 60.1 | Low | 63 | Low | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.2 | -47.4 | 172.3 | -31.8 | 36 | 0 | 0 | 0 | 115.9 | N68 V71 S321 C322 I327 Y328 C329 | N68-P325 VanDerWaalsContact OD1-CG 3.24Å; N68-P325 WeakPolarHBondContact OD1-CG 3.22Å; V71-P325 HydrophobicContact CG2-CB 3.51Å; V71-P325 HydrophobicContact CG2-CG 3.94Å; S321-P325 WeakPolarHBondContact O-CD 3.34Å; C322-P325 WeakPolarHBondContact O-CD 3.38Å; P325-I327 VanDerWaalsContact C-N 3.34Å; P325-I327 PolarHBondContact O-N 3.47Å; P325-Y328 PolarHBondContact O-N 2.94Å; P325-C329 WeakPolarHBondContact O-CB 3.47Å; P325-C329 PolarHBondContact O-N 2.74Å; P325-C329 PolarHBondContact O-SG 2.86Å |
| 326 | V | 60 | Low | 62.8 | Low | 76 Ų | 76 | 46.2 Ų | 46.2 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -43.1 | -176.3 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | F323 N324 C329 L330 | F323-V326 PolarHBondContact O-N 3.38Å; N324-V326 PolarHBondContact O-N 2.95Å; V326-C329 PolarHBondContact O-N 2.95Å; V326-L330 HydrophobicContact CG1-CD1 3.68Å; V326-L330 HydrophobicContact CG1-CG 4.3Å; V326-L330 VanDerWaalsContact O-CB 3.26Å; V326-L330 WeakPolarHBondContact O-CB 3.34Å; V326-L330 WeakPolarHBondContact O-CG 3.49Å; V326-L330 PolarHBondContact O-N 3.15Å |
| 327 | I | 61.9 | Low | 62.4 | Low | 18 Ų | 18 | 45.9 Ų | 45.9 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.4 | -40.8 | -179.6 | -60.6 | 165.8 | 0 | 0 | 0 | 110.8 | V270 F323 N324 P325 L330 V331 | V270-I327 HydrophobicContact CB-CD1 4.38Å; V270-I327 HydrophobicContact CG2-CB 3.89Å; V270-I327 HydrophobicContact CG2-CD1 3.84Å; V270-I327 HydrophobicContact CG2-CG1 4.45Å; V270-I327 HydrophobicContact CG2-CG2 3.29Å; F323-I327 HydrophobicContact CB-CD1 3.98Å; F323-I327 WeakPolarHBondContact O-CB 3.47Å; F323-I327 VanDerWaalsContact O-CG1 3.22Å; F323-I327 WeakPolarHBondContact O-CG1 3.23Å; F323-I327 PolarHBondContact O-N 3.4Å; N324-I327 PolarHBondContact O-N 3.01Å; P325-I327 VanDerWaalsContact C-N 3.34Å; P325-I327 PolarHBondContact O-N 3.47Å; I327-L330 PolarHBondContact O-N 3.46Å; I327-V331 HydrophobicContact CG2-CG2 3.89Å; I327-V331 WeakPolarHBondContact O-CB 3.38Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.84Å |
| 328 | Y | 60.8 | Low | 62.1 | Low | 15 Ų | 15 | 46.6 Ų | 46.6 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -42 | 176.9 | -64.8 | -48.3 | 0 | 0 | 0 | 112.8 | V90 L93 M145 N324 P325 V331 R332 | V90-Y328 HydrophobicContact CG1-CD2 3.97Å; V90-Y328 HydrophobicContact CG1-CE2 4.17Å; V90-Y328 HydrophobicContact CG1-CG 4.48Å; V90-Y328 HydrophobicContact CG2-CE1 4.45Å; V90-Y328 HydrophobicContact CG2-CE2 4.48Å; L93-Y328 HydrophobicContact CD2-CE2 3.86Å; L93-Y328 WeakPolarHBondContact CD2-OH 3.45Å; M145-Y328 WeakPolarHBondContact CE-OH 3.32Å; N324-Y328 HydrophobicContact CB-CE2 4.1Å; N324-Y328 WeakPolarHBondContact O-CD2 3.47Å; N324-Y328 WeakPolarHBondContact O-CE2 3.17Å; N324-Y328 PolarHBondContact O-N 3.43Å; N324-Y328 VanDerWaalsContact O-N 3.07Å; P325-Y328 PolarHBondContact O-N 2.94Å; Y328-V331 PolarHBondContact O-N 3.46Å; Y328-R332 PolarHBondContact O-N 2.97Å |
| 329 | C | 58.1 | Low | 61.9 | Low | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.122 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.5 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | P325 V326 R336 L339 | P325-C329 WeakPolarHBondContact O-CB 3.47Å; P325-C329 PolarHBondContact O-N 2.74Å; P325-C329 PolarHBondContact O-SG 2.86Å; V326-C329 PolarHBondContact O-N 2.95Å; C329-R336 WeakPolarHBondContact O-CG 3.32Å; C329-L339 HydrophobicContact CB-CD1 3.79Å; C329-L339 VanDerWaalsContact SG-CD1 3.51Å |
| 330 | L | 53.9 | Low | 61.7 | Low | 109 Ų | 109 | 54.5 Ų | 54.5 | 57% | 0.571 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -74.2 | -24.6 | 179.4 | -70.1 | 177.4 | 0 | 0 | 0 | 112.8 | V326 I327 R336 | V326-L330 HydrophobicContact CG1-CD1 3.68Å; V326-L330 HydrophobicContact CG1-CG 4.3Å; V326-L330 VanDerWaalsContact O-CB 3.26Å; V326-L330 WeakPolarHBondContact O-CB 3.34Å; V326-L330 WeakPolarHBondContact O-CG 3.49Å; V326-L330 PolarHBondContact O-N 3.15Å; I327-L330 PolarHBondContact O-N 3.46Å; L330-R336 PolarHBondContact O-NE 3.33Å; L330-R336 PolarHBondContact O-NH2 3.31Å |
| 331 | V | 52.8 | Low | 61.6 | Low | 43 Ų | 43 | 58.1 Ų | 58.1 | 26% | 0.261 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -91 | -39.8 | -174.4 | 166.1 | 0 | 0 | 0 | 0 | 112.3 | S266 I327 Y328 | S266-V331 WeakPolarHBondContact OG-CB 3.4Å; S266-V331 WeakPolarHBondContact OG-CG1 3.46Å; S266-V331 WeakPolarHBondContact OG-CG2 3.48Å; I327-V331 HydrophobicContact CG2-CG2 3.89Å; I327-V331 WeakPolarHBondContact O-CB 3.38Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.84Å; Y328-V331 PolarHBondContact O-N 3.46Å |
| 332 | R | 56.9 | Low | 61.6 | Low | 35 Ų | 35 | 60.3 Ų | 60.3 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | trans | -95.8 | 121.3 | -172.3 | -71.2 | -176.8 | 173.5 | -104 | 11.6 | 111.7 | I86 Y328 E334 Y335 R336 | I86-R332 VanDerWaalsContact CG2-NH2 3.27Å; Y328-R332 PolarHBondContact O-N 2.97Å; R332-E334 IonicContact NH1-OE2 3.39Å; R332-E334 PolarHBondContact NH1-OE2 3.45Å; R332-E334 PolarHBondContact O-N 3.37Å; R332-Y335 HydrophobicContact CB-CD2 3.48Å; R332-Y335 VanDerWaalsContact CB-CD2 3.48Å; R332-Y335 HydrophobicContact CB-CE2 4.2Å; R332-Y335 HydrophobicContact CB-CG 4.36Å; R332-Y335 HydrophobicContact CG-CD2 4.17Å; R332-Y335 HydrophobicContact CG-CE2 4.44Å; R332-Y335 PolarHBondContact O-N 3.08Å; R332-Y335 VanDerWaalsContact O-N 3.12Å; R332-R336 PolarHBondContact O-N 3.47Å; R332-R336 VanDerWaalsContact O-N 3.13Å | ||
| 333 | K | 54.8 | Low | 62 | Low | 150 Ų | 150 | 66.2 Ų | 66.2 | 65% | 0.652 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -56.6 | -35.5 | 175.5 | -69.4 | -173.2 | 177.9 | -174.7 | 0 | 112.7 | Y335 R336 T337 | K333-Y335 VanDerWaalsContact C-N 3.32Å; K333-Y335 PolarHBondContact O-N 3.46Å; K333-R336 PolarHBondContact O-N 2.93Å; K333-T337 PolarHBondContact O-N 3.39Å; K333-T337 VanDerWaalsContact O-N 3.08Å; K333-T337 PolarHBondContact O-OG1 3.26Å |
| 334 | E | 58.3 | Low | 62.1 | Low | 119 Ų | 119 | 68.4 Ų | 68.4 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.9 | -44 | 176.8 | -63.3 | 115 | -152.8 | 0 | 0 | 112.1 | R332 T337 A338 | R332-E334 IonicContact NH1-OE2 3.39Å; R332-E334 PolarHBondContact NH1-OE2 3.45Å; R332-E334 PolarHBondContact O-N 3.37Å; E334-T337 PolarHBondContact O-N 3.43Å; E334-A338 PolarHBondContact O-N 2.99Å; E334-A338 VanDerWaalsContact O-N 3.09Å |
| 335 | Y | 59.5 | Low | 62.4 | Low | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75.5 | -39.1 | -178.4 | -70.8 | -98.3 | 0 | 0 | 0 | 111.5 | L75 N87 R332 K333 T337 A338 L339 | L75-Y335 HydrophobicContact CD2-CE1 3.93Å; L75-Y335 WeakPolarHBondContact CD2-OH 3.27Å; L75-Y335 HydrophobicContact CG-CE1 4.18Å; N87-Y335 PolarHBondContact OD1-OH 3.03Å; R332-Y335 HydrophobicContact CB-CD2 3.48Å; R332-Y335 VanDerWaalsContact CB-CD2 3.48Å; R332-Y335 HydrophobicContact CB-CE2 4.2Å; R332-Y335 HydrophobicContact CB-CG 4.36Å; R332-Y335 HydrophobicContact CG-CD2 4.17Å; R332-Y335 HydrophobicContact CG-CE2 4.44Å; R332-Y335 PolarHBondContact O-N 3.08Å; R332-Y335 VanDerWaalsContact O-N 3.12Å; K333-Y335 VanDerWaalsContact C-N 3.32Å; K333-Y335 PolarHBondContact O-N 3.46Å; Y335-T337 VanDerWaalsContact C-N 3.27Å; Y335-T337 PolarHBondContact O-N 3.2Å; Y335-A338 PolarHBondContact O-N 2.67Å; Y335-L339 WeakPolarHBondContact O-CB 3.36Å; Y335-L339 PolarHBondContact O-N 3.45Å |
| 336 | R | 63.3 | Low | 62.9 | Low | 136 Ų | 136 | 80.5 Ų | 80.5 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57 | -41.9 | 172.7 | -63.1 | -169.1 | -152.1 | 175.3 | 8.3 | 111.9 | C329 L330 R332 K333 R340 | C329-R336 WeakPolarHBondContact O-CG 3.32Å; L330-R336 PolarHBondContact O-NE 3.33Å; L330-R336 PolarHBondContact O-NH2 3.31Å; R332-R336 PolarHBondContact O-N 3.47Å; R332-R336 VanDerWaalsContact O-N 3.13Å; K333-R336 PolarHBondContact O-N 2.93Å; R336-R340 WeakPolarHBondContact O-CB 3.37Å; R336-R340 PolarHBondContact O-N 3.11Å |
| 337 | T | 60.9 | Low | 63.4 | Low | 68 Ų | 68 | 78.7 Ų | 78.7 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | K333 E334 Y335 R340 N341 | K333-T337 PolarHBondContact O-N 3.39Å; K333-T337 VanDerWaalsContact O-N 3.08Å; K333-T337 PolarHBondContact O-OG1 3.26Å; E334-T337 PolarHBondContact O-N 3.43Å; Y335-T337 VanDerWaalsContact C-N 3.27Å; Y335-T337 PolarHBondContact O-N 3.2Å; T337-R340 PolarHBondContact O-N 3.06Å; T337-N341 PolarHBondContact O-N 2.93Å; T337-N341 PolarHBondContact O-OD1 2.93Å |
| 338 | A | 62.5 | Low | 63.7 | Low | 15 Ų | 15 | 83.2 Ų | 83.2 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L74 T78 E334 Y335 R340 N341 V342 | L74-A338 HydrophobicContact CD2-CB 4.23Å; T78-A338 HydrophobicContact CG2-CB 3.86Å; E334-A338 PolarHBondContact O-N 2.99Å; E334-A338 VanDerWaalsContact O-N 3.09Å; Y335-A338 PolarHBondContact O-N 2.67Å; A338-R340 PolarHBondContact O-N 2.75Å; A338-N341 PolarHBondContact O-N 3.39Å; A338-N341 VanDerWaalsContact O-N 3.16Å; A338-V342 WeakPolarHBondContact O-CG2 3.24Å; A338-V342 PolarHBondContact O-N 3.31Å |
| 339 | L | 65.5 | Low | 64 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.4 | -122.3 | 148.3 | 0 | 0 | 0 | 111.6 | L74 C329 Y335 N341 V342 F343 | L74-L339 HydrophobicContact CD1-CD1 3.89Å; L74-L339 HydrophobicContact CD1-CG 3.98Å; C329-L339 HydrophobicContact CB-CD1 3.79Å; C329-L339 VanDerWaalsContact SG-CD1 3.51Å; Y335-L339 WeakPolarHBondContact O-CB 3.36Å; Y335-L339 PolarHBondContact O-N 3.45Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.36Å; L339-V342 PolarHBondContact O-N 3.15Å; L339-F343 WeakPolarHBondContact O-CB 3.27Å; L339-F343 PolarHBondContact O-N 3.31Å |
| 340 | R | 67 | Low | 64.5 | Low | 151 Ų | 151 | 88.8 Ų | 88.8 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 174.2 | -170 | 178.2 | 76.9 | 180 | 5.8 | 110.9 | R336 T337 A338 V342 F343 F344 | R336-R340 WeakPolarHBondContact O-CB 3.37Å; R336-R340 PolarHBondContact O-N 3.11Å; T337-R340 PolarHBondContact O-N 3.06Å; A338-R340 PolarHBondContact O-N 2.75Å; R340-V342 PolarHBondContact O-N 2.99Å; R340-F343 PolarHBondContact O-N 3.28Å; R340-F344 HydrophobicContact CG-CD2 3.68Å; R340-F344 HydrophobicContact CG-CE2 3.78Å; R340-F344 WeakPolarHBondContact O-CB 3.48Å; R340-F344 VanDerWaalsContact O-CD2 3.31Å; R340-F344 WeakPolarHBondContact O-CD2 3.36Å; R340-F344 PolarHBondContact O-N 3.45Å |
| 341 | N | 68.6 | Low | 64.8 | Low | 82 Ų | 82 | 89.6 Ų | 89.6 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66 | -38 | 179.7 | -68.3 | -8.6 | 0 | 0 | 0 | 112.6 | T337 A338 L339 K345 | T337-N341 PolarHBondContact O-N 2.93Å; T337-N341 PolarHBondContact O-OD1 2.93Å; A338-N341 PolarHBondContact O-N 3.39Å; A338-N341 VanDerWaalsContact O-N 3.16Å; L339-N341 VanDerWaalsContact C-N 3.33Å; L339-N341 PolarHBondContact O-N 3.36Å; N341-K345 WeakPolarHBondContact O-CB 3.38Å; N341-K345 WeakPolarHBondContact O-CG 3.49Å; N341-K345 PolarHBondContact O-N 3.4Å |
| 342 | V | 69.3 | Low | 65.2 | Low | 46 Ų | 46 | 92.1 Ų | 92.1 | 28% | 0.279 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | F73 L74 A338 L339 R340 F344 K345 L346 | F73-V342 HydrophobicContact CE1-CG2 4.37Å; L74-V342 HydrophobicContact CD2-CG2 3.93Å; A338-V342 WeakPolarHBondContact O-CG2 3.24Å; A338-V342 PolarHBondContact O-N 3.31Å; L339-V342 PolarHBondContact O-N 3.15Å; R340-V342 PolarHBondContact O-N 2.99Å; V342-F344 VanDerWaalsContact C-N 3.34Å; V342-F344 PolarHBondContact O-N 2.84Å; V342-K345 PolarHBondContact O-N 3.25Å; V342-L346 WeakPolarHBondContact O-CB 3.33Å; V342-L346 PolarHBondContact O-N 3.18Å |
| 343 | F | 74.3 | Confident | 65 | Low | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.632 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 177.6 | -169.6 | -94.8 | 0 | 0 | 0 | 111.8 | L339 R340 L346 S347 | L339-F343 WeakPolarHBondContact O-CB 3.27Å; L339-F343 PolarHBondContact O-N 3.31Å; R340-F343 PolarHBondContact O-N 3.28Å; F343-L346 PolarHBondContact O-N 3.34Å; F343-S347 WeakPolarHBondContact O-CB 3.37Å; F343-S347 PolarHBondContact O-N 2.87Å; F343-S347 PolarHBondContact O-OG 3.28Å |
| 344 | F | 70 | Confident | 64.4 | Low | 130 Ų | 130 | 98.5 Ų | 98.5 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 173.8 | -98 | -88.5 | 0 | 0 | 0 | 112.6 | R340 V342 S347 L348 | R340-F344 HydrophobicContact CG-CD2 3.68Å; R340-F344 HydrophobicContact CG-CE2 3.78Å; R340-F344 WeakPolarHBondContact O-CB 3.48Å; R340-F344 VanDerWaalsContact O-CD2 3.31Å; R340-F344 WeakPolarHBondContact O-CD2 3.36Å; R340-F344 PolarHBondContact O-N 3.45Å; V342-F344 VanDerWaalsContact C-N 3.34Å; V342-F344 PolarHBondContact O-N 2.84Å; F344-S347 WeakPolarHBondContact CA-OG 3.43Å; F344-S347 PolarHBondContact O-OG 3.15Å; F344-L348 VanDerWaalsContact O-CB 3.31Å; F344-L348 WeakPolarHBondContact O-CB 3.48Å; F344-L348 PolarHBondContact O-N 3.31Å |
| 345 | K | 71.4 | Confident | 63.7 | Low | 165 Ų | 165 | 98.2 Ų | 98.2 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 175.6 | -76.3 | -177.4 | 177.4 | -171.5 | 0 | 112.1 | N341 V342 L348 A349 | N341-K345 WeakPolarHBondContact O-CB 3.38Å; N341-K345 WeakPolarHBondContact O-CG 3.49Å; N341-K345 PolarHBondContact O-N 3.4Å; V342-K345 PolarHBondContact O-N 3.25Å; K345-L348 PolarHBondContact O-N 3.3Å; K345-A349 WeakPolarHBondContact O-CB 3.49Å; K345-A349 PolarHBondContact O-N 2.95Å |
| 346 | L | 70.8 | Confident | 63 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 177.7 | -164.9 | 75.5 | 0 | 0 | 0 | 111.1 | V342 F343 A349 I350 | V342-L346 WeakPolarHBondContact O-CB 3.33Å; V342-L346 PolarHBondContact O-N 3.18Å; F343-L346 PolarHBondContact O-N 3.34Å; L346-A349 PolarHBondContact O-N 3.12Å; L346-I350 HydrophobicContact CD2-CD1 4.44Å; L346-I350 HydrophobicContact CG-CD1 4.03Å; L346-I350 WeakPolarHBondContact O-CB 3.45Å; L346-I350 WeakPolarHBondContact O-CD1 3.04Å; L346-I350 WeakPolarHBondContact O-CG1 3.34Å; L346-I350 PolarHBondContact O-N 3.07Å |
| 347 | S | 71.1 | Confident | 61.8 | Low | 37 Ų | 37 | 106 Ų | 106 | 26% | 0.259 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 174.8 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | F343 F344 I350 M351 | F343-S347 WeakPolarHBondContact O-CB 3.37Å; F343-S347 PolarHBondContact O-N 2.87Å; F343-S347 PolarHBondContact O-OG 3.28Å; F344-S347 WeakPolarHBondContact CA-OG 3.43Å; F344-S347 PolarHBondContact O-OG 3.15Å; S347-I350 PolarHBondContact O-N 3.1Å; S347-M351 WeakPolarHBondContact O-CB 3.29Å; S347-M351 WeakPolarHBondContact O-CG 3.32Å; S347-M351 PolarHBondContact O-N 3.49Å |
| 348 | L | 68.5 | Low | 61 | Low | 113 Ų | 113 | 109.2 Ų | 109.2 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -41 | 173.3 | -146.2 | 92.6 | 0 | 0 | 0 | 111.7 | F344 K345 M351 S352 | F344-L348 VanDerWaalsContact O-CB 3.31Å; F344-L348 WeakPolarHBondContact O-CB 3.48Å; F344-L348 PolarHBondContact O-N 3.31Å; K345-L348 PolarHBondContact O-N 3.3Å; L348-M351 HydrophobicContact CD1-CE 4.11Å; L348-M351 PolarHBondContact O-N 2.98Å; L348-S352 WeakPolarHBondContact O-CB 3.38Å; L348-S352 PolarHBondContact O-N 3.15Å; L348-S352 PolarHBondContact O-OG 2.89Å |
| 349 | A | 66.8 | Low | 59.8 | Low | 45 Ų | 45 | 116.2 Ų | 116.2 | 37% | 0.372 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.9 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | K345 L346 S352 K353 | K345-A349 WeakPolarHBondContact O-CB 3.49Å; K345-A349 PolarHBondContact O-N 2.95Å; L346-A349 PolarHBondContact O-N 3.12Å; A349-S352 WeakPolarHBondContact CA-OG 3.44Å; A349-S352 PolarHBondContact O-N 3.41Å; A349-S352 PolarHBondContact O-OG 3.48Å; A349-K353 WeakPolarHBondContact O-CG 3.45Å; A349-K353 PolarHBondContact O-N 3.2Å |
| 350 | I | 67.9 | Low | 58.4 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.3 | -43.7 | 174.6 | -68.2 | 164 | 0 | 0 | 0 | 110.4 | L346 S347 S352 K353 M354 | L346-I350 HydrophobicContact CD2-CD1 4.44Å; L346-I350 HydrophobicContact CG-CD1 4.03Å; L346-I350 WeakPolarHBondContact O-CB 3.45Å; L346-I350 WeakPolarHBondContact O-CD1 3.04Å; L346-I350 WeakPolarHBondContact O-CG1 3.34Å; L346-I350 PolarHBondContact O-N 3.07Å; S347-I350 PolarHBondContact O-N 3.1Å; I350-S352 VanDerWaalsContact C-N 3.32Å; I350-S352 PolarHBondContact O-N 3.32Å; I350-K353 PolarHBondContact O-N 3.23Å; I350-K353 VanDerWaalsContact O-N 3.16Å; I350-M354 PolarHBondContact O-N 3.24Å |
| 351 | M | 61.3 | Low | 57 | Low | 127 Ų | 127 | 121 Ų | 121 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.5 | -35.9 | 174.3 | -76.3 | -168.9 | -56 | 0 | 0 | 112.4 | S347 L348 K353 M354 | S347-M351 WeakPolarHBondContact O-CB 3.29Å; S347-M351 WeakPolarHBondContact O-CG 3.32Å; S347-M351 PolarHBondContact O-N 3.49Å; L348-M351 HydrophobicContact CD1-CE 4.11Å; L348-M351 PolarHBondContact O-N 2.98Å; M351-K353 PolarHBondContact O-N 3.43Å; M351-M354 PolarHBondContact O-N 3.43Å |
| 352 | S | 60.6 | Low | 55.4 | Low | 95 Ų | 95 | 126.3 Ų | 126.3 | 66% | 0.664 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.9 | -16.5 | 176.2 | 74.1 | 0 | 0 | 0 | 0 | 114 | L348 A349 I350 | L348-S352 WeakPolarHBondContact O-CB 3.38Å; L348-S352 PolarHBondContact O-N 3.15Å; L348-S352 PolarHBondContact O-OG 2.89Å; A349-S352 WeakPolarHBondContact CA-OG 3.44Å; A349-S352 PolarHBondContact O-N 3.41Å; A349-S352 PolarHBondContact O-OG 3.48Å; I350-S352 VanDerWaalsContact C-N 3.32Å; I350-S352 PolarHBondContact O-N 3.32Å |
| 353 | K | 51.7 | Low | 53.5 | Low | 179 Ų | 179 | 127.8 Ų | 127.8 | 78% | 0.778 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -2.3 | 178.5 | -76.3 | -166.7 | 175.9 | -168.5 | 0 | 113.9 | A349 I350 M351 P355 | A349-K353 WeakPolarHBondContact O-CG 3.45Å; A349-K353 PolarHBondContact O-N 3.2Å; I350-K353 PolarHBondContact O-N 3.23Å; I350-K353 VanDerWaalsContact O-N 3.16Å; M351-K353 PolarHBondContact O-N 3.43Å; K353-P355 WeakPolarHBondContact O-CD 3.34Å |
| 354 | M | 43.9 | Very low | 51.5 | Low | 140 Ų | 140 | 129.7 Ų | 129.7 | 69% | 0.69 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -78.4 | 113.5 | 168.4 | -86.5 | -79 | -79 | 0 | 0 | 108.7 | I350 M351 Y356 | I350-M354 PolarHBondContact O-N 3.24Å; M351-M354 PolarHBondContact O-N 3.43Å; M354-Y356 PolarHBondContact O-N 3.43Å |
| 355 | P | 43.3 | Very low | 49.6 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -67 | 119 | 171.3 | -4.4 | 20.8 | 0 | 0 | 0 | 107.3 | K353 A357 | K353-P355 WeakPolarHBondContact O-CD 3.34Å; P355-A357 VanDerWaalsContact C-N 3.27Å; P355-A357 PolarHBondContact O-N 3.42Å | ||
| 356 | Y | 43.9 | Very low | 47.7 | Very low | 213 Ų | 213 | 128.7 Ų | 128.7 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -62.6 | 92.9 | 164.2 | -105.7 | -89.4 | 0 | 0 | 0 | 107.8 | M354 L358 | M354-Y356 PolarHBondContact O-N 3.43Å; Y356-L358 HydrophobicContact CD1-CD1 4.14Å; Y356-L358 HydrophobicContact CE1-CD1 4.26Å; Y356-L358 PolarHBondContact O-N 2.81Å; Y356-L358 VanDerWaalsContact O-N 3.12Å | ||
| 357 | A | 38.8 | Very low | 45.7 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -78.9 | 82 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P355 | P355-A357 VanDerWaalsContact C-N 3.27Å; P355-A357 PolarHBondContact O-N 3.42Å | ||
| 358 | L | 43.9 | Very low | 43.9 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -120.2 | 82.2 | 162.6 | -108.8 | 167.5 | 0 | 0 | 0 | 106.3 | Y356 S360 | Y356-L358 HydrophobicContact CD1-CD1 4.14Å; Y356-L358 HydrophobicContact CE1-CD1 4.26Å; Y356-L358 PolarHBondContact O-N 2.81Å; Y356-L358 VanDerWaalsContact O-N 3.12Å; L358-S360 PolarHBondContact O-N 2.89Å | ||
| 359 | N | 37.7 | Very low | 42.2 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 116.7 | 167.2 | -81.1 | -8.9 | 0 | 0 | 0 | 108.1 | ||
| 360 | S | 36 | Very low | 40.9 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 133.1 | 157.7 | -71.1 | 0 | 0 | 0 | 0 | 109.6 | L358 | L358-S360 PolarHBondContact O-N 2.89Š|
| 361 | E | 36.7 | Very low | 39.1 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 117.4 | 146.3 | -86.1 | -169.5 | 116.2 | 0 | 0 | 107.9 | ||
| 362 | E | 35.6 | Very low | 38 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123.2 | 171.5 | -67 | 179.6 | 137.8 | 0 | 0 | 109.8 | ||
| 363 | G | 30.4 | Very low | 37.7 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -118.6 | 103.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 364 | L | 31.3 | Very low | 36.8 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 96% | 0.963 | 83% | 0.828 | S | S | * | * | trans | -46.8 | 136.5 | 177.3 | -163.9 | 78.3 | 0 | 0 | 0 | 114.5 | ||||
| 365 | G | 29.9 | Very low | 36.5 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | 168.9 | 65.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 366 | Q | 31.9 | Very low | 36 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | 40.3 | 115.6 | 135.4 | -148.8 | 155.9 | 4.5 | 0 | 0 | 120.7 | ||||
| 367 | G | 28.8 | Very low | 35.6 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | 171.1 | 99.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 368 | R | 33.1 | Very low | 35.3 | Very low | 247 Ų | 247 | 149.9 Ų | 149.9 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | trans | -43.6 | 134.7 | 167.8 | -84.9 | 168.5 | 160.2 | 158.1 | -5.9 | 112.7 | ||||
| 369 | Q | 33.2 | Very low | 34.7 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | -160.8 | 131.8 | 122 | -114.1 | 167.1 | -1 | 0 | 0 | 114.1 | |||||
| 370 | L | 39.5 | Very low | 34.7 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 94% | 0.937 | 83% | 0.834 | S | S | * | * | trans | -68.4 | 139.2 | 176.6 | -140.5 | 77.8 | 0 | 0 | 0 | 110.2 | ||||
| 371 | G | 30.6 | Very low | 34.5 | Very low | 76 Ų | 76 | 151.2 Ų | 151.2 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | trans | 174 | 88.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 372 | I | 37.8 | Very low | 34.3 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 84% | 0.841 | 84% | 0.835 | S | S | * | * | trans | -130.8 | 153.9 | 156.3 | -62.9 | 176 | 0 | 0 | 0 | 104.7 | ||||
| 373 | P | 53 | Low | 34.2 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 68% | 0.675 | 83% | 0.834 | S | S | * | * | cis | -129.1 | -177.2 | -5.5 | 23.3 | 0.2 | 0 | 0 | 0 | 113 | ||||
| 374 | L | 34.6 | Very low | 34.3 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | -170.5 | 116.1 | 122.7 | -101.4 | 155.3 | 0 | 0 | 0 | 112.8 | |||||
| 375 | S | 37.6 | Very low | 34.4 | Very low | 96 Ų | 96 | 150 Ų | 150 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | trans | -66.9 | 131.3 | 159.7 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 376 | N | 32.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -108.3 | 114.1 | 164.3 | -107.4 | -3.7 | 0 | 0 | 0 | 110.5 | ||||
| 377 | V | 35.4 | Very low | 34.6 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | trans | -89.2 | 129.6 | 166.7 | 167 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 378 | Y | 32.1 | Very low | 34.7 | Very low | 226 Ų | 226 | 152 Ų | 152 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | trans | -177.6 | 132.5 | 153.9 | -109 | -88 | 0 | 0 | 0 | 105.1 | ||||
| 379 | S | 31.6 | Very low | 34.6 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | cis | -164.7 | 150.9 | 6 | 35 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 380 | Q | 36.1 | Very low | 35 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -63.6 | 145.6 | 169 | -68.3 | 165.5 | -31.7 | 0 | 0 | 112.6 | ||||
| 381 | T | 32.8 | Very low | 35 | Very low | 149 Ų | 149 | 144 Ų | 144 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -147.6 | 125.3 | 132.4 | -6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 382 | C | 32.3 | Very low | 35.1 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -103.9 | 132.4 | 178.6 | -169.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 383 | Q | 33.2 | Very low | 35.1 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -144.2 | 105.1 | 156 | -92 | -169.7 | -7.9 | 0 | 0 | 111.6 | ||||
| 384 | T | 33.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 1.2 | 126.8 | 144.4 | 16.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 385 | Y | 32.8 | Very low | 34.3 | Very low | 193 Ų | 193 | 149 Ų | 149 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | 43.7 | 120 | 122.4 | -126 | -97 | 0 | 0 | 0 | 120.9 | R387 | Y385-R387 HydrophobicContact CE1-CB 4.26Š| |||
| 386 | S | 32.2 | Very low | 34.5 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -154.6 | 135.2 | 134.2 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 387 | R | 34.5 | Very low | 34.6 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 70% | 0.698 | 82% | 0.821 | S | S | * | * | trans | -101.9 | 117 | -170.5 | -162.7 | -178.3 | -170.4 | 177.2 | 1.6 | 106.9 | Y385 | Y385-R387 HydrophobicContact CE1-CB 4.26Š| ||
| 388 | G | 31.2 | Very low | 34.6 | Very low | 81 Ų | 81 | 145 Ų | 145 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -87.5 | 110.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 389 | Y | 31 | Very low | 34.7 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 136.7 | 167.7 | -91.9 | -95.6 | 0 | 0 | 0 | 110.6 | ||
| 390 | T | 41.7 | Very low | 34.9 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 135.1 | 165.3 | 35.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 391 | P | 38.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 144.1 | 179.3 | 31.5 | -29.2 | 0 | 0 | 0 | 112.7 | ||
| 392 | L | 32.7 | Very low | 35.1 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 130.7 | 178.6 | -137.7 | 86 | 0 | 0 | 0 | 111 | ||
| 393 | T | 37.3 | Very low | 35.3 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.2 | 171.3 | -1.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 394 | T | 34.7 | Very low | 35.4 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 83% | 0.828 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 137.1 | -177.6 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||
| 395 | L | 38 | Very low | 35.5 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -126.6 | 128.8 | 165.4 | -128.9 | 137 | 0 | 0 | 0 | 106.8 | ||||
| 396 | P | 41.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -111.8 | 124.6 | 160.4 | 29.5 | -16.4 | 0 | 0 | 0 | 110.2 | ||||
| 397 | A | 34.3 | Very low | 35.9 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 83% | 0.826 | 84% | 0.839 | S | S | * | * | trans | -139.8 | 126.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 398 | G | 35.3 | Very low | 36 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | trans | 136.6 | 118.6 | -176 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 399 | T | 34.8 | Very low | 36.3 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 83% | 0.828 | 85% | 0.849 | S | S | * | * | cis | -168.9 | 143.5 | 32.6 | -12.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 400 | S | 35.7 | Very low | 36.7 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 85% | 0.853 | S | S | * | * | trans | 30.4 | 127.3 | 142.2 | 58.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 401 | L | 36.6 | Very low | 36.3 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 87% | 0.869 | 86% | 0.857 | S | S | * | * | 177.2 | 141.9 | 116.6 | -94.4 | 158 | 0 | 0 | 0 | 111.7 | |||||
| 402 | L | 37 | Very low | 36.1 | Very low | 248 Ų | 248 | 140.9 Ų | 140.9 | 100% | 1.298 | 86% | 0.861 | S | S | * | * | trans | 84.5 | 0 | 174.8 | -69.3 | 158.5 | 0 | 0 | 0 | 118.1 |
Retrieved 402 of 402 residues in 78.9 ms
(Link to these results)