| 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 | 46.8 | Very low | 45.1 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 100% | 1.197 | 81% | 0.811 | S | S | * | * | 0 | 109.6 | 0 | -85.1 | 169.2 | -168.5 | 0 | 0 | 106.7 | |||||
| 2 | E | 46.1 | Very low | 44.1 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -57.4 | 138.2 | 163.5 | -64 | -163 | 103.1 | 0 | 0 | 109.8 | L4 | E2-L4 HydrophobicContact CB-CD1 4.43Š| ||
| 3 | L | 46.4 | Very low | 44.4 | Very low | 175 Ų | 175 | 153.4 Ų | 153.4 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -138.5 | 130.5 | 134.7 | -79.8 | -176.9 | 0 | 0 | 0 | 108.8 | ||||
| 4 | L | 39.7 | Very low | 43.7 | Very low | 141 Ų | 141 | 151.4 Ų | 151.4 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -63.5 | 147.6 | -173.2 | -82.2 | 58.4 | 0 | 0 | 0 | 113.5 | E2 | E2-L4 HydrophobicContact CB-CD1 4.43Š| ||
| 5 | S | 37.1 | Very low | 43.3 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -61.9 | -162.6 | 165.8 | -37.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 6 | P | 63.1 | Low | 44.7 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | -131.9 | -147.7 | -48.7 | 32 | -8.2 | 0 | 0 | 0 | 108.8 | ||||
| 7 | P | 48.8 | Very low | 44.1 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | cis | -138.5 | 170 | -4.5 | 40.2 | -19.2 | 0 | 0 | 0 | 118.3 | ||||
| 8 | L | 42.2 | Very low | 43.9 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 47.7 | 134.8 | 140.6 | -62.9 | 167.2 | 0 | 0 | 0 | 118.6 | ||||
| 9 | R | 39.8 | Very low | 43.7 | Very low | 226 Ų | 226 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -156.1 | 123.6 | 63.4 | -49.4 | -166.9 | 71.6 | -179.4 | -2.3 | 109.3 | |||||
| 10 | D | 34.9 | Very low | 43.6 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | 65.6 | 116.3 | 105.9 | -109.3 | -47.7 | 0 | 0 | 0 | 115.6 | |||||
| 11 | V | 51.2 | Low | 43.5 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -68.5 | 131.7 | 165.9 | 165.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 12 | D | 33.1 | Very low | 43.1 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -142.1 | 130.2 | 150.1 | -132 | -22.6 | 0 | 0 | 0 | 112.7 | ||||
| 13 | L | 47.8 | Very low | 42.5 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -87.7 | 114.7 | 176.5 | -77.8 | 155.5 | 0 | 0 | 0 | 107.2 | ||||
| 14 | T | 34.5 | Very low | 42.3 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -155.5 | 103.7 | 164.1 | -30.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 15 | G | 38.5 | Very low | 42.4 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | trans | -89.1 | 178.6 | 136.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 16 | P | 64.9 | Low | 42.8 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | cis | -131.8 | -173.8 | 6.9 | 30 | -5.9 | 0 | 0 | 0 | 112.4 | ||||
| 17 | D | 35.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | 141.8 | 121 | 139.1 | -69.1 | -29.9 | 0 | 0 | 0 | 115.3 | ||||
| 18 | G | 40.4 | Very low | 41.6 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 65.6 | 78.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 19 | S | 39 | Very low | 41.6 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -129 | 84.7 | 145.4 | -160.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 20 | L | 42.2 | Very low | 41.8 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -55.6 | 131.5 | 163.9 | -70.9 | 153.5 | 0 | 0 | 0 | 108.6 | ||||
| 21 | C | 41.7 | Very low | 42.3 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | trans | 52.6 | 87.6 | 160.6 | -55 | 0 | 0 | 0 | 0 | 114.4 | F23 | C21-F23 VanDerWaalsContact C-N 3.26Å; C21-F23 HydrophobicContact CB-CD2 4.41Å; C21-F23 HydrophobicContact CB-CE1 4.25Å; C21-F23 HydrophobicContact CB-CE2 3.89Å; C21-F23 HydrophobicContact CB-CZ 3.8Å; C21-F23 VanDerWaalsContact O-CD2 3.28Å; C21-F23 WeakPolarHBondContact O-CD2 3.44Å; C21-F23 PolarHBondContact O-N 3.21Å | ||
| 22 | S | 37.6 | Very low | 41.8 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -62.1 | 95.3 | 157.7 | -166.3 | 0 | 0 | 0 | 0 | 107.9 | A24 | S22-A24 PolarHBondContact O-N 3.43Š| ||
| 23 | F | 33.6 | Very low | 42.5 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 77% | 0.768 | 72% | 0.718 | S | S | * | * | trans | -68.3 | 111.8 | 165.2 | -59.5 | -76.9 | 0 | 0 | 0 | 105.8 | C21 T25 | C21-F23 VanDerWaalsContact C-N 3.26Å; C21-F23 HydrophobicContact CB-CD2 4.41Å; C21-F23 HydrophobicContact CB-CE1 4.25Å; C21-F23 HydrophobicContact CB-CE2 3.89Å; C21-F23 HydrophobicContact CB-CZ 3.8Å; C21-F23 VanDerWaalsContact O-CD2 3.28Å; C21-F23 WeakPolarHBondContact O-CD2 3.44Å; C21-F23 PolarHBondContact O-N 3.21Å; F23-T25 PolarHBondContact O-N 3.08Å | ||
| 24 | A | 43.3 | Very low | 42.5 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 58% | 0.579 | 71% | 0.71 | S | S | * | * | trans | -50.2 | 132.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S22 D28 | S22-A24 PolarHBondContact O-N 3.43Å; A24-D28 HydrophobicContact CB-CB 4.23Å | ||
| 25 | T | 42.2 | Very low | 42.9 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 60% | 0.601 | 71% | 0.713 | S | S | * | * | trans | -56.8 | 150.6 | 177.4 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | F23 D27 D28 | F23-T25 PolarHBondContact O-N 3.08Å; T25-D27 PolarHBondContact O-N 3.28Å; T25-D28 PolarHBondContact O-N 2.83Å; T25-D28 VanDerWaalsContact O-N 3.09Å | ||
| 26 | T | 45.8 | Very low | 43.1 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -2.7 | -178.4 | 50 | 0 | 0 | 0 | 0 | 114.5 | ||
| 27 | D | 42.6 | Very low | 41.7 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -32.1 | 177.4 | -144.3 | 58.4 | 0 | 0 | 0 | 112.1 | T25 F29 Y30 | T25-D27 PolarHBondContact O-N 3.28Å; D27-F29 PolarHBondContact O-N 3.09Å; D27-Y30 PolarHBondContact O-N 3.06Å |
| 28 | D | 43.9 | Very low | 42.4 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -10 | 175.8 | -99.8 | -56.1 | 0 | 0 | 0 | 113.4 | A24 T25 Y30 | A24-D28 HydrophobicContact CB-CB 4.23Å; T25-D28 PolarHBondContact O-N 2.83Å; T25-D28 VanDerWaalsContact O-N 3.09Å; D28-Y30 VanDerWaalsContact C-N 3.34Å |
| 29 | F | 40.7 | Very low | 42.5 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -20.7 | 178.2 | -163.4 | -94.7 | 0 | 0 | 0 | 112.5 | D27 | D27-F29 PolarHBondContact O-N 3.09Š|
| 30 | Y | 44.8 | Very low | 42.9 | Very low | 216 Ų | 216 | 123 Ų | 123 | 85% | 0.847 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -14.7 | 179 | -99.3 | -87.1 | 0 | 0 | 0 | 113.8 | D27 D28 D32 | D27-Y30 PolarHBondContact O-N 3.06Å; D28-Y30 VanDerWaalsContact C-N 3.34Å; Y30-D32 VanDerWaalsContact C-N 3.31Å; Y30-D32 PolarHBondContact O-N 3.16Å |
| 31 | D | 44.4 | Very low | 43.3 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -96 | 47.6 | 174.6 | -126.9 | -62.7 | 0 | 0 | 0 | 110.8 | P33 | D31-P33 WeakPolarHBondContact O-CD 3.4Š| ||
| 32 | D | 41.7 | Very low | 43.5 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 38% | 0.38 | 66% | 0.662 | S | S | . | * | trans | -78.5 | 109.9 | 169.8 | -174.7 | 6.6 | 0 | 0 | 0 | 108.8 | Y30 C34 F35 | Y30-D32 VanDerWaalsContact C-N 3.31Å; Y30-D32 PolarHBondContact O-N 3.16Å; D32-C34 PolarHBondContact O-N 2.87Å; D32-C34 VanDerWaalsContact OD1-CB 3.31Å; D32-C34 WeakPolarHBondContact OD1-CB 3.34Å; D32-C34 PolarHBondContact OD1-N 3.42Å; D32-C34 WeakPolarHBondContact OD2-CB 3.17Å; D32-F35 PolarHBondContact O-N 2.9Å | ||
| 33 | P | 48.6 | Very low | 43.9 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -4.1 | 177.2 | 28.7 | -35.1 | 0 | 0 | 0 | 112.6 | D31 F35 | D31-P33 WeakPolarHBondContact O-CD 3.4Å; P33-F35 VanDerWaalsContact C-N 3.28Å |
| 34 | C | 47.6 | Very low | 44.6 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -19.2 | 166.7 | -86.5 | 0 | 0 | 0 | 0 | 114.2 | D32 | D32-C34 PolarHBondContact O-N 2.87Å; D32-C34 VanDerWaalsContact OD1-CB 3.31Å; D32-C34 WeakPolarHBondContact OD1-CB 3.34Å; D32-C34 PolarHBondContact OD1-N 3.42Å; D32-C34 WeakPolarHBondContact OD2-CB 3.17Å |
| 35 | F | 41.8 | Very low | 44.7 | Very low | 192 Ų | 192 | 126.4 Ų | 126.4 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -29.8 | 178.6 | -106 | -88 | 0 | 0 | 0 | 113.8 | D32 P33 | D32-F35 PolarHBondContact O-N 2.9Å; P33-F35 VanDerWaalsContact C-N 3.28Å |
| 36 | D | 43.4 | Very low | 44.9 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -119.5 | 29 | -168.3 | -124.9 | -15.5 | 0 | 0 | 0 | 116.4 | ||
| 37 | S | 34.6 | Very low | 45 | Very low | 83 Ų | 83 | 124.2 Ų | 124.2 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -137.6 | 155 | 171.3 | -106.4 | 0 | 0 | 0 | 0 | 113.3 | D39 | S37-D39 VanDerWaalsContact C-N 3.3Å; S37-D39 PolarHBondContact O-N 3.37Å |
| 38 | P | 49.9 | Very low | 45.3 | Very low | 70 Ų | 70 | 122 Ų | 122 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | S | Bend | -78.2 | 57.1 | -121.9 | 34.6 | -40.1 | 0 | 0 | 0 | 114.6 | L40 R41 | P38-L40 PolarHBondContact O-N 3.1Å; P38-L40 VanDerWaalsContact O-N 3.13Å; P38-R41 HydrophobicContact CB-CG 4.16Å; P38-R41 VanDerWaalsContact CB-NH1 3.28Å; P38-R41 PolarHBondContact O-N 3.43Å | |
| 39 | D | 42.2 | Very low | 45.3 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -4.4 | 174.1 | -144.3 | 1.5 | 0 | 0 | 0 | 112.1 | S37 R120 | S37-D39 VanDerWaalsContact C-N 3.3Å; S37-D39 PolarHBondContact O-N 3.37Å; D39-R120 IonicContact OD2-NH2 3.16Å; D39-R120 PolarHBondContact OD2-NH2 3.03Å; D39-R120 VanDerWaalsContact OD2-NH2 3.16Å |
| 40 | L | 48.5 | Very low | 45.7 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -20 | 168.3 | -64.1 | 178.4 | 0 | 0 | 0 | 113.1 | P38 | P38-L40 PolarHBondContact O-N 3.1Å; P38-L40 VanDerWaalsContact O-N 3.13Å |
| 41 | R | 49.7 | Very low | 45.8 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 62% | 0.619 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -81.4 | -17.6 | 175.2 | -64.5 | -164 | -165.4 | 109.1 | 3.2 | 113.4 | P38 F43 E44 | P38-R41 HydrophobicContact CB-CG 4.16Å; P38-R41 VanDerWaalsContact CB-NH1 3.28Å; P38-R41 PolarHBondContact O-N 3.43Å; R41-F43 PolarHBondContact O-N 3.41Å; R41-E44 PolarHBondContact O-N 3.33Å |
| 42 | F | 46.7 | Very low | 45.9 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -65.1 | -20.7 | 174.2 | -174.8 | -101.7 | 0 | 0 | 0 | 112.8 | E44 | F42-E44 VanDerWaalsContact C-N 3.35Š|
| 43 | F | 46.9 | Very low | 46.1 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 49% | 0.491 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -79.1 | -15.7 | 174.1 | -72.2 | -88.7 | 0 | 0 | 0 | 113.4 | R41 | R41-F43 PolarHBondContact O-N 3.41Š|
| 44 | E | 47.8 | Very low | 45.9 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 66% | 0.659 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -22.6 | 174.8 | -73.2 | 178.3 | 117.1 | 0 | 0 | 112.6 | R41 F42 L46 | R41-E44 PolarHBondContact O-N 3.33Å; F42-E44 VanDerWaalsContact C-N 3.35Å; E44-L46 PolarHBondContact O-N 3.39Å |
| 45 | D | 46 | Very low | 45.6 | Very low | 138 Ų | 138 | 124 Ų | 124 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | trans | -80.3 | 1.7 | 175.8 | -77.6 | -29.4 | 0 | 0 | 0 | 113.6 | D47 | D45-D47 PolarHBondContact O-N 2.9Š| ||
| 46 | L | 46 | Very low | 45.7 | Very low | 98 Ų | 98 | 122 Ų | 122 | 51% | 0.513 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -73 | 97.2 | 164.2 | -104.6 | 76.8 | 0 | 0 | 0 | 108.7 | E44 | E44-L46 PolarHBondContact O-N 3.39Š|
| 47 | D | 46.3 | Very low | 45.4 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 48% | 0.481 | 65% | 0.653 | S | S | . | * | trans | 14.7 | 101.6 | 170.6 | -164.8 | -6.8 | 0 | 0 | 0 | 115.2 | D45 R49 L50 | D45-D47 PolarHBondContact O-N 2.9Å; D47-R49 PolarHBondContact O-N 2.73Å; D47-R49 VanDerWaalsContact OD1-CB 3.31Å; D47-R49 WeakPolarHBondContact OD1-CB 3.14Å; D47-R49 WeakPolarHBondContact OD1-CD 3.46Å; D47-R49 WeakPolarHBondContact OD1-CG 3.43Å; D47-R49 PolarHBondContact OD1-N 3.47Å; D47-L50 PolarHBondContact O-N 3.15Å | ||
| 48 | P | 50.8 | Low | 45.3 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -52.7 | -15 | 179.4 | -26.2 | 33.3 | 0 | 0 | 0 | 114.9 | L50 | P48-L50 VanDerWaalsContact C-N 3.27Å; P48-L50 PolarHBondContact O-N 2.94Å |
| 49 | R | 43.6 | Very low | 44.8 | Very low | 201 Ų | 201 | 129.3 Ų | 129.3 | 76% | 0.758 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -71 | -16.8 | 177.6 | -60.9 | 175.4 | 66.7 | -179.1 | 0.8 | 114 | D47 | D47-R49 PolarHBondContact O-N 2.73Å; D47-R49 VanDerWaalsContact OD1-CB 3.31Å; D47-R49 WeakPolarHBondContact OD1-CB 3.14Å; D47-R49 WeakPolarHBondContact OD1-CD 3.46Å; D47-R49 WeakPolarHBondContact OD1-CG 3.43Å; D47-R49 PolarHBondContact OD1-N 3.47Å |
| 50 | L | 48.3 | Very low | 44.3 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -89.3 | -18.7 | -179.1 | -150 | 70 | 0 | 0 | 0 | 113.5 | D47 P48 | D47-L50 PolarHBondContact O-N 3.15Å; P48-L50 VanDerWaalsContact C-N 3.27Å; P48-L50 PolarHBondContact O-N 2.94Å |
| 51 | M | 47 | Very low | 44 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -18.6 | 178.3 | -72.1 | -73.4 | 158.5 | 0 | 0 | 113.3 | ||
| 52 | H | 46 | Very low | 43.3 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -86.3 | -2.9 | -174.3 | -99.9 | 80.7 | 0 | 0 | 0 | 116 | G54 | H52-G54 PolarHBondContact O-N 3.13Š|
| 53 | V | 46.4 | Very low | 42.7 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -78.8 | -8.3 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 54 | G | 43.6 | Very low | 42.1 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -92.2 | -6.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | H52 | H52-G54 PolarHBondContact O-N 3.13Š|
| 55 | A | 41.3 | Very low | 41.5 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -112.1 | 8.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 56 | L | 44.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -119.6 | 30.2 | -172.1 | -121.6 | -178.6 | 0 | 0 | 0 | 115.6 | ||||
| 57 | L | 37.9 | Very low | 40.9 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | -105.3 | 93.4 | 163.6 | -64.7 | -179.1 | 0 | 0 | 0 | 109.7 | ||||
| 58 | K | 32.5 | Very low | 40.8 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | -56.8 | 136.3 | 166.3 | -146.6 | -175 | -174.4 | -136.1 | 0 | 109.7 | E60 | K58-E60 WeakPolarHBondContact CD-OE2 3.26Å; K58-E60 WeakPolarHBondContact CE-OE2 3.49Å; K58-E60 IonicContact NZ-OE1 2.7Å; K58-E60 IonicContact NZ-OE2 3.93Å; K58-E60 PolarHBondContact NZ-OE2 3.25Å | ||
| 59 | P | 38.8 | Very low | 40.1 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -97.1 | 97.1 | 174.1 | 33.3 | -24.5 | 0 | 0 | 0 | 109.7 | ||||
| 60 | E | 32.3 | Very low | 39.9 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | -136.6 | 108.4 | 166.4 | -98.8 | 153.2 | 132.6 | 0 | 0 | 108.9 | K58 | K58-E60 WeakPolarHBondContact CD-OE2 3.26Å; K58-E60 WeakPolarHBondContact CE-OE2 3.49Å; K58-E60 IonicContact NZ-OE1 2.7Å; K58-E60 IonicContact NZ-OE2 3.93Å; K58-E60 PolarHBondContact NZ-OE2 3.25Å | ||
| 61 | E | 41.3 | Very low | 39.5 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 36.2 | 133.9 | 151.9 | -54 | -160.8 | 122.7 | 0 | 0 | 119.6 | ||||
| 62 | H | 35.3 | Very low | 39 | Very low | 165 Ų | 165 | 134 Ų | 134 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 163.7 | 116.7 | 115.5 | -80.2 | 93.7 | 0 | 0 | 0 | 110.5 | |||||
| 63 | S | 34.4 | Very low | 38.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 48.3 | 123 | 134.7 | -52 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 64 | H | 34.5 | Very low | 37.9 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -36.9 | 131.5 | 162.3 | -59.9 | -98.7 | 0 | 0 | 0 | 116.6 | ||||
| 65 | F | 34.1 | Very low | 37.8 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | 172.4 | 156.8 | 102 | -100.8 | -90.4 | 0 | 0 | 0 | 110.4 | |||||
| 66 | P | 50.8 | Low | 37.7 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -104.4 | 149.2 | -153.7 | 38.6 | -30.4 | 0 | 0 | 0 | 113.7 | ||||
| 67 | A | 29.8 | Very low | 38 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -151.8 | 132.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V69 | A67-V69 PolarHBondContact O-N 3.2Š| ||
| 68 | A | 43.8 | Very low | 38.8 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -53 | 119.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 69 | V | 35.8 | Very low | 40.3 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -144.3 | 113 | 144.7 | -177.9 | 0 | 0 | 0 | 0 | 106.2 | A67 P71 | A67-V69 PolarHBondContact O-N 3.2Å; V69-P71 VanDerWaalsContact O-CD 3.23Å; V69-P71 WeakPolarHBondContact O-CD 3.38Å | ||
| 70 | H | 40.3 | Very low | 41.7 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -56.6 | 119.5 | 167.4 | -74.8 | -96.8 | 0 | 0 | 0 | 109.2 | ||||
| 71 | P | 39.1 | Very low | 43.2 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | trans | -76.1 | 127.7 | 151.6 | 30.1 | -22.5 | 0 | 0 | 0 | 106 | V69 Q73 | V69-P71 VanDerWaalsContact O-CD 3.23Å; V69-P71 WeakPolarHBondContact O-CD 3.38Å; P71-Q73 VanDerWaalsContact C-N 3.34Å; P71-Q73 PolarHBondContact O-N 3.19Å | ||
| 72 | A | 36.3 | Very low | 44.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -52.4 | 98.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G74 | A72-G74 PolarHBondContact O-N 3.37Š| ||
| 73 | Q | 37.2 | Very low | 45.4 | Very low | 193 Ų | 193 | 126.8 Ų | 126.8 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | trans | -71.3 | 76.3 | 167.8 | -73.4 | 179.1 | -77.7 | 0 | 0 | 107.8 | P71 | P71-Q73 VanDerWaalsContact C-N 3.34Å; P71-Q73 PolarHBondContact O-N 3.19Å | ||
| 74 | G | 32.4 | Very low | 46.5 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | -106.6 | 8.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A72 R76 | A72-G74 PolarHBondContact O-N 3.37Å; G74-R76 PolarHBondContact O-N 2.99Å | ||
| 75 | A | 41.3 | Very low | 47.5 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | trans | -76.9 | 78.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | E77 | A75-E77 PolarHBondContact O-N 3.36Š| ||
| 76 | R | 39.1 | Very low | 48.3 | Very low | 221 Ų | 221 | 118.9 Ų | 118.9 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | trans | -44.4 | 127.7 | 165.5 | -93.6 | -159.9 | 171.4 | -87.1 | 0.5 | 107.7 | G74 D78 | G74-R76 PolarHBondContact O-N 2.99Å; R76-D78 PolarHBondContact O-N 3.25Å | ||
| 77 | E | 50.2 | Low | 48 | Very low | 194 Ų | 194 | 122.4 Ų | 122.4 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | trans | -55.3 | 87.6 | 162.6 | -66.5 | 171.1 | 127.8 | 0 | 0 | 107.8 | A75 E79 | A75-E77 PolarHBondContact O-N 3.36Å; E77-E79 VanDerWaalsContact C-N 3.32Å; E77-E79 PolarHBondContact O-N 3.19Å; E77-E79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | D | 54.9 | Low | 48.7 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 33% | 0.326 | 71% | 0.711 | S | S | . | * | trans | -75.4 | 95.8 | 168.5 | -104.6 | -51.9 | 0 | 0 | 0 | 105.3 | R76 H80 A100 R103 | R76-D78 PolarHBondContact O-N 3.25Å; D78-H80 PolarHBondContact O-N 3.16Å; D78-A100 HydrophobicContact CB-CB 3.45Å; D78-A100 VanDerWaalsContact CB-CB 3.45Å; D78-R103 IonicContact OD2-NH1 3.93Å | ||
| 79 | E | 65 | Low | 48.9 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -51.9 | 109.2 | 177.6 | -168.9 | 174.7 | -179.9 | 0 | 0 | 109.7 | E77 V81 | E77-E79 VanDerWaalsContact C-N 3.32Å; E77-E79 PolarHBondContact O-N 3.19Å; E77-E79 VanDerWaalsContact O-N 3.08Å; E79-V81 PolarHBondContact O-N 2.94Å | ||
| 80 | H | 67.2 | Low | 49.7 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 39% | 0.394 | 72% | 0.718 | S | S | . | * | trans | -67.1 | 122.9 | 178.7 | -68.8 | -85.3 | 0 | 0 | 0 | 109 | D78 R82 C93 C98 C101 | D78-H80 PolarHBondContact O-N 3.16Å; H80-R82 PolarHBondContact O-N 3.39Å; H80-C93 HydrophobicContact CB-CB 4.05Å; H80-C98 PolarHBondContact ND1-SG 3.22Å; H80-C98 VanDerWaalsContact ND1-SG 3.38Å; H80-C101 PolarHBondContact ND1-SG 2.95Å | ||
| 81 | V | 65.5 | Low | 50.5 | Low | 67 Ų | 67 | 122.3 Ų | 122.3 | 41% | 0.406 | 71% | 0.705 | S | S | . | * | trans | -67.8 | 100.3 | 168.3 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | E79 L94 A97 C98 | E79-V81 PolarHBondContact O-N 2.94Å; V81-L94 HydrophobicContact CG1-CD1 4.27Å; V81-L94 PolarHBondContact O-N 3.22Å; V81-A97 HydrophobicContact CB-CB 4.18Å; V81-A97 HydrophobicContact CG1-CB 4.03Å; V81-A97 HydrophobicContact CG2-CB 4.41Å; V81-C98 HydrophobicContact CB-CB 4.4Å | ||
| 82 | R | 64.9 | Low | 51.9 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | B | Isolated β-bridge | trans | -74.4 | 142.8 | -178.5 | -62.6 | -174.9 | -179.8 | 89.8 | -2.5 | 109.6 | H80 | H80-R82 PolarHBondContact O-N 3.39Å |
| 83 | A | 57.3 | Low | 53.9 | Low | 46 Ų | 46 | 121.7 Ų | 121.7 | 38% | 0.38 | 67% | 0.671 | S | S | . | * | trans | -64.8 | 139.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S85 L94 | A83-S85 PolarHBondContact O-N 3.46Å; A83-L94 HydrophobicContact CB-CD2 3.67Å; A83-L94 HydrophobicContact CB-CG 4.06Å | ||
| 84 | P | 58.1 | Low | 55.8 | Low | 123 Ų | 123 | 114.5 Ų | 114.5 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -71.1 | 73.1 | 172.7 | -17.4 | 31.9 | 0 | 0 | 0 | 111.5 | ||
| 85 | S | 54.3 | Low | 57.7 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 78% | 0.783 | 63% | 0.625 | S | S | * | * | trans | -159.7 | 125.9 | 164.2 | -77.4 | 0 | 0 | 0 | 0 | 108.9 | A83 | A83-S85 PolarHBondContact O-N 3.46Š| ||
| 86 | G | 51.8 | Low | 59.5 | Low | 77 Ų | 77 | 119.6 Ų | 119.6 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | trans | -71.9 | 169.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 87 | H | 43.8 | Very low | 61.3 | Low | 187 Ų | 187 | 110.9 Ų | 110.9 | 87% | 0.866 | 60% | 0.597 | S | S | * | * | trans | 88.7 | 115.8 | 173.6 | -146 | 70.6 | 0 | 0 | 0 | 116.2 | ||||
| 88 | H | 43.7 | Very low | 62.8 | Low | 160 Ų | 160 | 101.6 Ų | 101.6 | 74% | 0.741 | 55% | 0.553 | S | S | * | * | trans | -97.7 | 113.7 | -155.1 | -64 | -91.8 | 0 | 0 | 0 | 112.6 | ||||
| 89 | Q | 50 | Low | 63.8 | Low | 185 Ų | 185 | 104.9 Ų | 104.9 | 86% | 0.864 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -128.5 | 109.5 | 138.7 | -60.1 | -171.1 | 48.7 | 0 | 0 | 105.6 | G91 | Q89-G91 PolarHBondContact O-N 3.48Å; Q89-G91 VanDerWaalsContact O-N 3.1Å |
| 90 | A | 52.4 | Low | 64.3 | Low | 109 Ų | 109 | 98.2 Ų | 98.2 | 90% | 0.901 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 25.9 | 72.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 91 | G | 57.1 | Low | 64.6 | Low | 52 Ų | 52 | 95.1 Ų | 95.1 | 54% | 0.536 | 53% | 0.525 | S | S | . | . | trans | -54.9 | 135.6 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q89 C93 | Q89-G91 PolarHBondContact O-N 3.48Å; Q89-G91 VanDerWaalsContact O-N 3.1Å; G91-C93 PolarHBondContact O-N 2.93Å; G91-C93 VanDerWaalsContact O-N 3.1Å | ||
| 92 | R | 67.4 | Low | 65.1 | Low | 172 Ų | 172 | 96.3 Ų | 96.3 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | trans | -58.5 | 111.4 | 168.9 | -62.3 | 172.8 | 74.3 | -122.2 | 7.7 | 108.9 | ||||
| 93 | C | 79.5 | Confident | 65.3 | Low | 19 Ų | 19 | 96.8 Ų | 96.8 | 13% | 0.128 | 53% | 0.527 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 147.2 | 169.4 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | H80 G91 L95 C98 C101 | H80-C93 HydrophobicContact CB-CB 4.05Å; G91-C93 PolarHBondContact O-N 2.93Å; G91-C93 VanDerWaalsContact O-N 3.1Å; C93-L95 PolarHBondContact O-N 3.23Å; C93-C98 HydrophobicContact CB-CB 3.66Å; C93-C98 VanDerWaalsContact CB-SG 3.57Å; C93-C101 HydrophobicContact CB-CB 4.23Å; C93-C101 WeakPolarHBondContact CB-SG 3.36Å; C93-C101 WeakPolarHBondContact SG-CB 3.36Å; C93-C101 CovalentContact SG-SG 2.04Å; C93-C101 PolarHBondContact SG-SG 3.5Å |
| 94 | L | 76.6 | Confident | 66.1 | Low | 42 Ų | 42 | 102.8 Ų | 102.8 | 22% | 0.22 | 55% | 0.545 | C | S | . | . | trans | -68 | 97.7 | 169.1 | -67.3 | 177.2 | 0 | 0 | 0 | 108.6 | V81 A83 W96 A97 C98 | V81-L94 HydrophobicContact CG1-CD1 4.27Å; V81-L94 PolarHBondContact O-N 3.22Å; A83-L94 HydrophobicContact CB-CD2 3.67Å; A83-L94 HydrophobicContact CB-CG 4.06Å; L94-W96 HydrophobicContact CD1-CZ2 3.87Å; L94-W96 PolarHBondContact O-N 3.08Å; L94-A97 HydrophobicContact CB-CB 4.09Å; L94-A97 CarbonylContact O-C 3.6Å; L94-A97 PolarHBondContact O-N 2.85Å; L94-C98 VanDerWaalsContact O-CB 3.22Å; L94-C98 WeakPolarHBondContact O-CB 3.28Å; L94-C98 PolarHBondContact O-N 3.22Å | ||
| 95 | L | 71.9 | Confident | 67.1 | Low | 77 Ų | 77 | 98.8 Ų | 98.8 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -28.1 | -174.9 | -111.9 | 75.9 | 0 | 0 | 0 | 113.9 | C93 C101 | C93-L95 PolarHBondContact O-N 3.23Å; L95-C101 HydrophobicContact CD1-CB 3.8Å; L95-C101 HydrophobicContact CG-CB 4.04Å |
| 96 | W | 78.1 | Confident | 68.7 | Low | 193 Ų | 193 | 96.8 Ų | 96.8 | 73% | 0.731 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -29.3 | 177.6 | 65 | -96.1 | 0 | 0 | 0 | 113.1 | L94 | L94-W96 HydrophobicContact CD1-CZ2 3.87Å; L94-W96 PolarHBondContact O-N 3.08Å |
| 97 | A | 78.2 | Confident | 70.4 | Confident | 37 Ų | 37 | 98.4 Ų | 98.4 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -30.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V81 L94 K99 | V81-A97 HydrophobicContact CB-CB 4.18Å; V81-A97 HydrophobicContact CG1-CB 4.03Å; V81-A97 HydrophobicContact CG2-CB 4.41Å; L94-A97 HydrophobicContact CB-CB 4.09Å; L94-A97 CarbonylContact O-C 3.6Å; L94-A97 PolarHBondContact O-N 2.85Å; A97-K99 PolarHBondContact O-N 3.42Å |
| 98 | C | 80.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 47% | 0.471 | C | S | . | . | trans | -79 | 115.7 | -173.5 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | H80 V81 C93 L94 A100 C101 K102 | H80-C98 PolarHBondContact ND1-SG 3.22Å; H80-C98 VanDerWaalsContact ND1-SG 3.38Å; V81-C98 HydrophobicContact CB-CB 4.4Å; C93-C98 HydrophobicContact CB-CB 3.66Å; C93-C98 VanDerWaalsContact CB-SG 3.57Å; L94-C98 VanDerWaalsContact O-CB 3.22Å; L94-C98 WeakPolarHBondContact O-CB 3.28Å; L94-C98 PolarHBondContact O-N 3.22Å; C98-A100 PolarHBondContact O-N 3.4Å; C98-C101 HydrophobicContact CB-CB 4.09Å; C98-C101 PolarHBondContact O-N 2.96Å; C98-C101 PolarHBondContact SG-SG 3Å; C98-K102 WeakPolarHBondContact O-CB 3.24Å; C98-K102 PolarHBondContact O-N 2.87Å | ||
| 99 | K | 75.8 | Confident | 74.8 | Confident | 130 Ų | 130 | 86.8 Ų | 86.8 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | -174.8 | -160.3 | 165.1 | -173.7 | 172.9 | 0 | 113.9 | A97 R103 | A97-K99 PolarHBondContact O-N 3.42Å; K99-R103 WeakPolarHBondContact O-CG 3.45Å; K99-R103 PolarHBondContact O-N 3.43Å |
| 100 | A | 75.8 | Confident | 76.7 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.8 | -56.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | D78 C98 K102 R103 K104 | D78-A100 HydrophobicContact CB-CB 3.45Å; D78-A100 VanDerWaalsContact CB-CB 3.45Å; C98-A100 PolarHBondContact O-N 3.4Å; A100-K102 PolarHBondContact O-N 3.48Å; A100-R103 PolarHBondContact O-N 3.39Å; A100-K104 PolarHBondContact O-N 3.34Å |
| 101 | C | 73.6 | Confident | 78.7 | Confident | 19 Ų | 19 | 86.5 Ų | 86.5 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.2 | -34.4 | -177.4 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | H80 C93 L95 C98 R103 K104 T105 | H80-C101 PolarHBondContact ND1-SG 2.95Å; C93-C101 HydrophobicContact CB-CB 4.23Å; C93-C101 WeakPolarHBondContact CB-SG 3.36Å; C93-C101 WeakPolarHBondContact SG-CB 3.36Å; C93-C101 CovalentContact SG-SG 2.04Å; C93-C101 PolarHBondContact SG-SG 3.5Å; L95-C101 HydrophobicContact CD1-CB 3.8Å; L95-C101 HydrophobicContact CG-CB 4.04Å; C98-C101 HydrophobicContact CB-CB 4.09Å; C98-C101 PolarHBondContact O-N 2.96Å; C98-C101 PolarHBondContact SG-SG 3Å; C101-R103 VanDerWaalsContact C-N 3.28Å; C101-R103 PolarHBondContact O-N 2.96Å; C101-K104 PolarHBondContact O-N 3.29Å; C101-K104 VanDerWaalsContact O-N 3.13Å; C101-T105 PolarHBondContact O-N 2.9Å; C101-T105 VanDerWaalsContact O-N 3.17Å |
| 102 | K | 76.9 | Confident | 80.5 | Confident | 92 Ų | 92 | 90.4 Ų | 90.4 | 40% | 0.4 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66 | -26.9 | 177.1 | -175.3 | 174.8 | -177.9 | 178.4 | 0 | 113.5 | C98 A100 T105 R110 | C98-K102 WeakPolarHBondContact O-CB 3.24Å; C98-K102 PolarHBondContact O-N 2.87Å; A100-K102 PolarHBondContact O-N 3.48Å; K102-T105 VanDerWaalsContact O-CG2 3.25Å; K102-T105 WeakPolarHBondContact O-CG2 3.25Å; K102-R110 PolarHBondContact O-NH2 2.71Å; K102-R110 VanDerWaalsContact O-NH2 3.14Å |
| 103 | R | 68.9 | Low | 81.6 | Confident | 174 Ų | 174 | 84.6 Ų | 84.6 | 66% | 0.657 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -80.2 | -27.3 | 172.7 | -76.3 | 176.6 | 176.2 | 157.6 | -6.5 | 112.5 | D78 K99 A100 C101 | D78-R103 IonicContact OD2-NH1 3.93Å; K99-R103 WeakPolarHBondContact O-CG 3.45Å; K99-R103 PolarHBondContact O-N 3.43Å; A100-R103 PolarHBondContact O-N 3.39Å; C101-R103 VanDerWaalsContact C-N 3.28Å; C101-R103 PolarHBondContact O-N 2.96Å |
| 104 | K | 73.8 | Confident | 82.3 | Confident | 173 Ų | 173 | 85.8 Ų | 85.8 | 75% | 0.752 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -80.1 | -26.7 | -179.8 | -166.7 | 139.9 | -178.8 | 179 | 0 | 113.4 | A100 C101 | A100-K104 PolarHBondContact O-N 3.34Å; C101-K104 PolarHBondContact O-N 3.29Å; C101-K104 VanDerWaalsContact O-N 3.13Å |
| 105 | T | 79.6 | Confident | 83.3 | Confident | 38 Ų | 38 | 87.9 Ų | 87.9 | 23% | 0.233 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -70 | 131.3 | 168.8 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | C101 K102 | C101-T105 PolarHBondContact O-N 2.9Å; C101-T105 VanDerWaalsContact O-N 3.17Å; K102-T105 VanDerWaalsContact O-CG2 3.25Å; K102-T105 WeakPolarHBondContact O-CG2 3.25Å |
| 106 | T | 88.1 | Confident | 84.5 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | trans | -69.5 | 155.6 | -176.3 | 76 | 0 | 0 | 0 | 0 | 111.1 | A108 D109 R110 | T106-A108 PolarHBondContact O-N 3.33Å; T106-A108 PolarHBondContact OG1-N 3.49Å; T106-D109 WeakPolarHBondContact CB-OD2 3.24Å; T106-D109 PolarHBondContact N-OD2 3Å; T106-D109 PolarHBondContact O-N 2.88Å; T106-D109 PolarHBondContact OG1-N 2.83Å; T106-D109 VanDerWaalsContact OG1-N 3.09Å; T106-D109 PolarHBondContact OG1-OD2 3.44Å; T106-R110 PolarHBondContact O-N 3.16Å; T106-R110 VanDerWaalsContact O-N 3.14Å | ||
| 107 | N | 87.6 | Confident | 85.4 | Confident | 110 Ų | 110 | 87.2 Ų | 87.2 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.6 | -33.4 | 172.8 | -101.1 | -69.8 | 0 | 0 | 0 | 111.9 | R111 | N107-R111 WeakPolarHBondContact O-CG 3.49Å; N107-R111 PolarHBondContact O-N 3.4Å; N107-R111 VanDerWaalsContact O-N 3.14Å |
| 108 | A | 90.7 | Very high | 86.4 | Confident | 53 Ų | 53 | 89.2 Ų | 89.2 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T106 R110 R111 K112 | T106-A108 PolarHBondContact O-N 3.33Å; T106-A108 PolarHBondContact OG1-N 3.49Å; A108-R110 PolarHBondContact O-N 3.44Å; A108-R111 WeakPolarHBondContact O-CB 3.4Å; A108-R111 PolarHBondContact O-N 3.09Å; A108-K112 WeakPolarHBondContact O-CG 3.43Å; A108-K112 PolarHBondContact O-N 3.1Å |
| 109 | D | 89.2 | Confident | 87.2 | Confident | 51 Ų | 51 | 96.5 Ų | 96.5 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 179.6 | -58.2 | -35.4 | 0 | 0 | 0 | 111.6 | T106 R111 K112 A113 | T106-D109 WeakPolarHBondContact CB-OD2 3.24Å; T106-D109 PolarHBondContact N-OD2 3Å; T106-D109 PolarHBondContact O-N 2.88Å; T106-D109 PolarHBondContact OG1-N 2.83Å; T106-D109 VanDerWaalsContact OG1-N 3.09Å; T106-D109 PolarHBondContact OG1-OD2 3.44Å; D109-R111 VanDerWaalsContact C-N 3.31Å; D109-R111 PolarHBondContact O-N 3.01Å; D109-K112 PolarHBondContact O-N 3.36Å; D109-A113 WeakPolarHBondContact O-CB 3.46Å; D109-A113 PolarHBondContact O-N 3.34Å |
| 110 | R | 88.9 | Confident | 88.3 | Confident | 109 Ų | 109 | 96.1 Ų | 96.1 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.4 | -169.6 | -177.3 | -59.5 | 173.7 | 5.6 | 112 | K102 T106 A108 A114 | K102-R110 PolarHBondContact O-NH2 2.71Å; K102-R110 VanDerWaalsContact O-NH2 3.14Å; T106-R110 PolarHBondContact O-N 3.16Å; T106-R110 VanDerWaalsContact O-N 3.14Å; A108-R110 PolarHBondContact O-N 3.44Å; R110-A114 WeakPolarHBondContact O-CB 3.47Å; R110-A114 PolarHBondContact O-N 3.11Å |
| 111 | R | 94.5 | Very high | 89.4 | Confident | 178 Ų | 178 | 101.1 Ų | 101.1 | 67% | 0.672 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.9 | -48.5 | 176.3 | -72 | 176.2 | -170.9 | -174.5 | 2.6 | 110.8 | N107 A108 D109 A113 A114 T115 | N107-R111 WeakPolarHBondContact O-CG 3.49Å; N107-R111 PolarHBondContact O-N 3.4Å; N107-R111 VanDerWaalsContact O-N 3.14Å; A108-R111 WeakPolarHBondContact O-CB 3.4Å; A108-R111 PolarHBondContact O-N 3.09Å; D109-R111 VanDerWaalsContact C-N 3.31Å; D109-R111 PolarHBondContact O-N 3.01Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 2.78Å; R111-A114 PolarHBondContact O-N 3.43Å; R111-A114 VanDerWaalsContact O-N 3.15Å; R111-T115 PolarHBondContact O-N 3.23Å; R111-T115 PolarHBondContact O-OG1 3.07Å; R111-T115 VanDerWaalsContact O-OG1 3.1Å |
| 112 | K | 94.2 | Very high | 90.6 | Very high | 134 Ų | 134 | 103.6 Ų | 103.6 | 58% | 0.583 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -56.5 | -46.7 | 176.5 | -70.4 | 175.2 | -178 | 176.4 | 0 | 111.6 | A108 D109 A114 T115 M116 | A108-K112 WeakPolarHBondContact O-CG 3.43Å; A108-K112 PolarHBondContact O-N 3.1Å; D109-K112 PolarHBondContact O-N 3.36Å; K112-A114 PolarHBondContact O-N 2.65Å; K112-T115 PolarHBondContact O-N 3.26Å; K112-M116 WeakPolarHBondContact O-CG 3.5Å; K112-M116 PolarHBondContact O-N 3.38Å |
| 113 | A | 91.2 | Very high | 91.6 | Very high | 51 Ų | 51 | 102.4 Ų | 102.4 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D109 R111 R117 | D109-A113 WeakPolarHBondContact O-CB 3.46Å; D109-A113 PolarHBondContact O-N 3.34Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 2.78Å; A113-R117 WeakPolarHBondContact O-CG 3.4Å; A113-R117 PolarHBondContact O-N 3.45Å; A113-R117 VanDerWaalsContact O-N 3.11Å |
| 114 | A | 94.1 | Very high | 93 | Very high | 44 Ų | 44 | 100.6 Ų | 100.6 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R110 R111 K112 M116 R117 E118 | R110-A114 WeakPolarHBondContact O-CB 3.47Å; R110-A114 PolarHBondContact O-N 3.11Å; R111-A114 PolarHBondContact O-N 3.43Å; R111-A114 VanDerWaalsContact O-N 3.15Å; K112-A114 PolarHBondContact O-N 2.65Å; A114-M116 VanDerWaalsContact C-N 3.33Å; A114-M116 PolarHBondContact O-N 3.08Å; A114-R117 PolarHBondContact O-N 3.39Å; A114-E118 PolarHBondContact O-N 3.27Å |
| 115 | T | 97 | Very high | 94.2 | Very high | 86 Ų | 86 | 94.7 Ų | 94.7 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 112 | R111 K112 E118 R119 | R111-T115 PolarHBondContact O-N 3.23Å; R111-T115 PolarHBondContact O-OG1 3.07Å; R111-T115 VanDerWaalsContact O-OG1 3.1Å; K112-T115 PolarHBondContact O-N 3.26Å; T115-E118 PolarHBondContact O-N 3.48Å; T115-R119 WeakPolarHBondContact O-CB 3.31Å; T115-R119 PolarHBondContact O-N 3.5Å |
| 116 | M | 97.5 | Very high | 95.1 | Very high | 87 Ų | 87 | 96.3 Ų | 96.3 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 177.7 | -74.3 | -59.3 | -69.9 | 0 | 0 | 112.4 | K112 A114 R119 R120 | K112-M116 WeakPolarHBondContact O-CG 3.5Å; K112-M116 PolarHBondContact O-N 3.38Å; A114-M116 VanDerWaalsContact C-N 3.33Å; A114-M116 PolarHBondContact O-N 3.08Å; M116-R119 PolarHBondContact O-N 3.37Å; M116-R120 WeakPolarHBondContact O-CG 3.38Å; M116-R120 PolarHBondContact O-N 2.96Å |
| 117 | R | 97.9 | Very high | 95.6 | Very high | 169 Ų | 169 | 99 Ų | 99 | 64% | 0.638 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 173.6 | -74.5 | -174.7 | -66.6 | 174 | 2.5 | 111.9 | A113 A114 R120 R121 | A113-R117 WeakPolarHBondContact O-CG 3.4Å; A113-R117 PolarHBondContact O-N 3.45Å; A113-R117 VanDerWaalsContact O-N 3.11Å; A114-R117 PolarHBondContact O-N 3.39Å; R117-R120 PolarHBondContact O-N 3.21Å; R117-R121 PolarHBondContact O-N 2.96Å |
| 118 | E | 98.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 96.7 Ų | 96.7 | 37% | 0.369 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 177.3 | -178.5 | 56.7 | -166 | 0 | 0 | 111.9 | A114 T115 R120 R121 L122 | A114-E118 PolarHBondContact O-N 3.27Å; T115-E118 PolarHBondContact O-N 3.48Å; E118-R120 PolarHBondContact O-N 3.38Å; E118-R121 WeakPolarHBondContact O-CB 3.32Å; E118-R121 PolarHBondContact O-N 2.88Å; E118-R121 IonicContact OE1-CZ 3.4Å; E118-R121 IonicContact OE1-NE 3.26Å; E118-R121 PolarHBondContact OE1-NE 2.78Å; E118-R121 IonicContact OE1-NH2 2.71Å; E118-R121 PolarHBondContact OE1-NH2 2.94Å; E118-R121 IonicContact OE2-CZ 3.73Å; E118-R121 IonicContact OE2-NE 2.83Å; E118-R121 PolarHBondContact OE2-NE 3.23Å; E118-R121 IonicContact OE2-NH2 3.76Å; E118-L122 HydrophobicContact CG-CD1 4.14Å; E118-L122 HydrophobicContact CG-CG 4.43Å; E118-L122 WeakPolarHBondContact O-CG 3.34Å; E118-L122 PolarHBondContact O-N 3.45Å; E118-L122 WeakPolarHBondContact OE1-CG 3.39Å |
| 119 | R | 98.6 | Very high | 96.4 | Very high | 153 Ų | 153 | 96 Ų | 96 | 58% | 0.577 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -55.7 | -49.8 | 171.5 | -179.8 | -174.2 | -64.3 | -78.7 | 0.8 | 111.1 | T115 M116 R121 L122 S123 | T115-R119 WeakPolarHBondContact O-CB 3.31Å; T115-R119 PolarHBondContact O-N 3.5Å; M116-R119 PolarHBondContact O-N 3.37Å; R119-R121 VanDerWaalsContact C-N 3.33Å; R119-R121 PolarHBondContact O-N 3.02Å; R119-L122 PolarHBondContact O-N 2.95Å; R119-S123 PolarHBondContact O-N 3.39Å; R119-S123 PolarHBondContact O-OG 3.07Å; R119-S123 VanDerWaalsContact O-OG 3.13Å |
| 120 | R | 98.6 | Very high | 96.8 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 46% | 0.46 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 178.5 | -69.4 | 175 | -173.3 | 176 | 2.6 | 111.3 | D39 M116 R117 E118 S123 K124 | D39-R120 IonicContact OD2-NH2 3.16Å; D39-R120 PolarHBondContact OD2-NH2 3.03Å; D39-R120 VanDerWaalsContact OD2-NH2 3.16Å; M116-R120 WeakPolarHBondContact O-CG 3.38Å; M116-R120 PolarHBondContact O-N 2.96Å; R117-R120 PolarHBondContact O-N 3.21Å; E118-R120 PolarHBondContact O-N 3.38Å; R120-S123 PolarHBondContact O-N 2.92Å; R120-K124 PolarHBondContact O-N 3.16Å |
| 121 | R | 98.6 | Very high | 97.2 | Very high | 130 Ų | 130 | 95.2 Ų | 95.2 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 176.3 | -167.7 | -167.2 | 72.4 | 82.3 | 0.2 | 111.7 | R117 E118 R119 S123 K124 V125 | R117-R121 PolarHBondContact O-N 2.96Å; E118-R121 WeakPolarHBondContact O-CB 3.32Å; E118-R121 PolarHBondContact O-N 2.88Å; E118-R121 IonicContact OE1-CZ 3.4Å; E118-R121 IonicContact OE1-NE 3.26Å; E118-R121 PolarHBondContact OE1-NE 2.78Å; E118-R121 IonicContact OE1-NH2 2.71Å; E118-R121 PolarHBondContact OE1-NH2 2.94Å; E118-R121 IonicContact OE2-CZ 3.73Å; E118-R121 IonicContact OE2-NE 2.83Å; E118-R121 PolarHBondContact OE2-NE 3.23Å; E118-R121 IonicContact OE2-NH2 3.76Å; R119-R121 VanDerWaalsContact C-N 3.33Å; R119-R121 PolarHBondContact O-N 3.02Å; R121-S123 VanDerWaalsContact C-N 3.33Å; R121-S123 PolarHBondContact O-N 3.38Å; R121-K124 PolarHBondContact O-N 2.92Å; R121-V125 WeakPolarHBondContact O-CG2 3.39Å; R121-V125 PolarHBondContact O-N 2.82Å; R121-V125 VanDerWaalsContact O-N 3.12Å |
| 122 | L | 98.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 89.5 Ų | 89.5 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 179.1 | -70.3 | 174.5 | 0 | 0 | 0 | 112.4 | E118 R119 V125 N126 | E118-L122 HydrophobicContact CG-CD1 4.14Å; E118-L122 HydrophobicContact CG-CG 4.43Å; E118-L122 WeakPolarHBondContact O-CG 3.34Å; E118-L122 PolarHBondContact O-N 3.45Å; E118-L122 WeakPolarHBondContact OE1-CG 3.39Å; R119-L122 PolarHBondContact O-N 2.95Å; L122-V125 PolarHBondContact O-N 3.34Å; L122-N126 WeakPolarHBondContact O-CB 3.46Å; L122-N126 PolarHBondContact O-N 3.09Å; L122-N126 PolarHBondContact O-ND2 2.9Å |
| 123 | S | 98.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 83.8 Ų | 83.8 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 172.5 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | R119 R120 R121 V125 N126 E127 | R119-S123 PolarHBondContact O-N 3.39Å; R119-S123 PolarHBondContact O-OG 3.07Å; R119-S123 VanDerWaalsContact O-OG 3.13Å; R120-S123 PolarHBondContact O-N 2.92Å; R121-S123 VanDerWaalsContact C-N 3.33Å; R121-S123 PolarHBondContact O-N 3.38Å; S123-V125 PolarHBondContact O-N 3.29Å; S123-N126 PolarHBondContact O-N 3.22Å; S123-N126 VanDerWaalsContact O-N 3.17Å; S123-E127 PolarHBondContact O-N 3.08Å |
| 124 | K | 98.4 | Very high | 97.8 | Very high | 136 Ų | 136 | 88 Ų | 88 | 59% | 0.591 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 177.4 | -66 | -172.1 | 177.6 | -163.7 | 0 | 112.5 | R120 R121 N126 E127 A128 | R120-K124 PolarHBondContact O-N 3.16Å; R121-K124 PolarHBondContact O-N 2.92Å; K124-N126 VanDerWaalsContact C-N 3.33Å; K124-N126 PolarHBondContact O-N 3.01Å; K124-E127 PolarHBondContact O-N 3.03Å; K124-A128 PolarHBondContact O-N 3.14Å |
| 125 | V | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 89.7 Ų | 89.7 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | R121 L122 S123 E127 A128 F129 | R121-V125 WeakPolarHBondContact O-CG2 3.39Å; R121-V125 PolarHBondContact O-N 2.82Å; R121-V125 VanDerWaalsContact O-N 3.12Å; L122-V125 PolarHBondContact O-N 3.34Å; S123-V125 PolarHBondContact O-N 3.29Å; V125-E127 VanDerWaalsContact C-N 3.35Å; V125-A128 PolarHBondContact O-N 2.86Å; V125-F129 HydrophobicContact CG1-CD2 3.94Å; V125-F129 HydrophobicContact CG1-CE2 4.01Å; V125-F129 WeakPolarHBondContact O-CD2 3.37Å; V125-F129 PolarHBondContact O-N 3.38Å |
| 126 | N | 98 | Very high | 97.8 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 179 | -69.2 | -20.3 | 0 | 0 | 0 | 111.7 | L122 S123 K124 A128 F129 E130 K146 | L122-N126 WeakPolarHBondContact O-CB 3.46Å; L122-N126 PolarHBondContact O-N 3.09Å; L122-N126 PolarHBondContact O-ND2 2.9Å; S123-N126 PolarHBondContact O-N 3.22Å; S123-N126 VanDerWaalsContact O-N 3.17Å; K124-N126 VanDerWaalsContact C-N 3.33Å; K124-N126 PolarHBondContact O-N 3.01Å; N126-A128 PolarHBondContact O-N 2.71Å; N126-F129 WeakPolarHBondContact O-CB 3.4Å; N126-F129 PolarHBondContact O-N 3.34Å; N126-E130 WeakPolarHBondContact O-CG 3.37Å; N126-E130 PolarHBondContact O-N 2.77Å; N126-K146 WeakPolarHBondContact OD1-CE 3.41Å; N126-K146 PolarHBondContact OD1-NZ 2.79Å |
| 127 | E | 98.2 | Very high | 97.6 | Very high | 129 Ų | 129 | 83.1 Ų | 83.1 | 60% | 0.603 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.3 | -45.1 | 173.7 | -173 | -173.9 | 169.3 | 0 | 0 | 111.8 | S123 K124 V125 F129 E130 T131 | S123-E127 PolarHBondContact O-N 3.08Å; K124-E127 PolarHBondContact O-N 3.03Å; V125-E127 VanDerWaalsContact C-N 3.35Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 3.36Å; E127-E130 PolarHBondContact O-N 3.46Å; E127-E130 VanDerWaalsContact O-N 3.14Å; E127-T131 PolarHBondContact O-N 3.27Å; E127-T131 PolarHBondContact O-OG1 3.24Å |
| 128 | A | 98.3 | Very high | 97.1 | Very high | 61 Ų | 61 | 80.7 Ų | 80.7 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K124 V125 N126 T131 L132 | K124-A128 PolarHBondContact O-N 3.14Å; V125-A128 PolarHBondContact O-N 2.86Å; N126-A128 PolarHBondContact O-N 2.71Å; A128-T131 PolarHBondContact O-N 2.95Å; A128-L132 WeakPolarHBondContact O-CB 3.46Å; A128-L132 PolarHBondContact O-N 3.37Å |
| 129 | F | 98.2 | Very high | 96.7 | Very high | 39 Ų | 39 | 81.7 Ų | 81.7 | 17% | 0.171 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 173.9 | -95.6 | -82.8 | 0 | 0 | 0 | 112.6 | V125 N126 E127 L132 K133 K146 I149 L150 | V125-F129 HydrophobicContact CG1-CD2 3.94Å; V125-F129 HydrophobicContact CG1-CE2 4.01Å; V125-F129 WeakPolarHBondContact O-CD2 3.37Å; V125-F129 PolarHBondContact O-N 3.38Å; N126-F129 WeakPolarHBondContact O-CB 3.4Å; N126-F129 PolarHBondContact O-N 3.34Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 3.36Å; F129-L132 PolarHBondContact O-N 3.18Å; F129-K133 WeakPolarHBondContact O-CB 3.14Å; F129-K133 PolarHBondContact O-N 3.33Å; F129-K146 HydrophobicContact CD1-CB 4.16Å; F129-K146 HydrophobicContact CD1-CG 3.98Å; F129-K146 HydrophobicContact CD2-CD 4.3Å; F129-K146 HydrophobicContact CE1-CB 3.68Å; F129-K146 HydrophobicContact CE1-CD 4.33Å; F129-K146 HydrophobicContact CE1-CG 3.93Å; F129-K146 HydrophobicContact CE2-CD 4.11Å; F129-K146 HydrophobicContact CG-CD 4.5Å; F129-K146 HydrophobicContact CG-CG 4.33Å; F129-K146 HydrophobicContact CZ-CB 4.06Å; F129-K146 HydrophobicContact CZ-CD 4.13Å; F129-K146 HydrophobicContact CZ-CG 4.23Å; F129-I149 HydrophobicContact CD1-CB 4.25Å; F129-I149 HydrophobicContact CD1-CD1 4.11Å; F129-I149 HydrophobicContact CD1-CG2 4.1Å; F129-L150 HydrophobicContact CE1-CD1 4.47Å; F129-L150 HydrophobicContact CE1-CD2 3.95Å; F129-L150 HydrophobicContact CE1-CG 3.98Å; F129-L150 HydrophobicContact CZ-CD1 4.39Å; F129-L150 HydrophobicContact CZ-CD2 4.13Å; F129-L150 HydrophobicContact CZ-CG 4.32Å |
| 130 | E | 97.1 | Very high | 96.2 | Very high | 84 Ų | 84 | 76.9 Ų | 76.9 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.5 | -71.6 | -62.3 | 126.1 | 0 | 0 | 111.5 | N126 E127 K133 R134 | N126-E130 WeakPolarHBondContact O-CG 3.37Å; N126-E130 PolarHBondContact O-N 2.77Å; E127-E130 PolarHBondContact O-N 3.46Å; E127-E130 VanDerWaalsContact O-N 3.14Å; E130-K133 PolarHBondContact O-N 3.38Å; E130-K133 IonicContact OE1-NZ 3.03Å; E130-K133 PolarHBondContact OE1-NZ 3.1Å; E130-K133 WeakPolarHBondContact OE2-CE 3.34Å; E130-K133 IonicContact OE2-NZ 2.63Å; E130-K133 PolarHBondContact OE2-NZ 2.71Å; E130-R134 WeakPolarHBondContact O-CG 3.42Å; E130-R134 PolarHBondContact O-N 3.26Å; E130-R134 VanDerWaalsContact O-N 3.07Å; E130-R134 PolarHBondContact O-NH1 2.92Å |
| 131 | T | 97.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 78.8 Ų | 78.8 | 36% | 0.356 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 172.8 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | E127 A128 K133 R134 C135 | E127-T131 PolarHBondContact O-N 3.27Å; E127-T131 PolarHBondContact O-OG1 3.24Å; A128-T131 PolarHBondContact O-N 2.95Å; T131-K133 VanDerWaalsContact C-N 3.29Å; T131-K133 PolarHBondContact O-N 2.91Å; T131-R134 PolarHBondContact O-N 2.83Å; T131-R134 VanDerWaalsContact O-N 3.12Å; T131-R134 PolarHBondContact OG1-NH2 3.04Å; T131-C135 PolarHBondContact O-N 3.07Å; T131-C135 PolarHBondContact O-SG 3.45Å |
| 132 | L | 97.9 | Very high | 95.4 | Very high | 58 Ų | 58 | 77.7 Ų | 77.7 | 30% | 0.304 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 177.2 | -178.2 | 60.9 | 0 | 0 | 0 | 111.8 | A128 F129 R134 C135 T136 I149 L150 A153 | A128-L132 WeakPolarHBondContact O-CB 3.46Å; A128-L132 PolarHBondContact O-N 3.37Å; F129-L132 PolarHBondContact O-N 3.18Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 3.31Å; L132-C135 PolarHBondContact O-N 3.12Å; L132-T136 HydrophobicContact CD1-CG2 3.79Å; L132-T136 HydrophobicContact CG-CG2 4.42Å; L132-T136 WeakPolarHBondContact O-CB 3.49Å; L132-T136 WeakPolarHBondContact O-CG2 3.43Å; L132-T136 PolarHBondContact O-N 3.39Å; L132-T136 VanDerWaalsContact O-N 3.1Å; L132-T136 PolarHBondContact O-OG1 3.38Å; L132-I149 HydrophobicContact CB-CG2 4.25Å; L132-I149 HydrophobicContact CD2-CG2 3.93Å; L132-I149 HydrophobicContact CG-CG2 3.93Å; L132-L150 HydrophobicContact CD2-CD2 4.25Å; L132-A153 HydrophobicContact CD1-CB 3.87Å; L132-A153 HydrophobicContact CD2-CB 4.09Å; L132-A153 HydrophobicContact CG-CB 4.21Å |
| 133 | K | 97.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 85.6 Ų | 85.6 | 6% | 0.061 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 176.4 | -175.9 | -177.4 | 66.2 | -175.7 | 0 | 111.7 | F129 E130 T131 C135 T136 S137 P140 L144 I149 | F129-K133 WeakPolarHBondContact O-CB 3.14Å; F129-K133 PolarHBondContact O-N 3.33Å; E130-K133 PolarHBondContact O-N 3.38Å; E130-K133 IonicContact OE1-NZ 3.03Å; E130-K133 PolarHBondContact OE1-NZ 3.1Å; E130-K133 WeakPolarHBondContact OE2-CE 3.34Å; E130-K133 IonicContact OE2-NZ 2.63Å; E130-K133 PolarHBondContact OE2-NZ 2.71Å; T131-K133 VanDerWaalsContact C-N 3.29Å; T131-K133 PolarHBondContact O-N 2.91Å; K133-C135 VanDerWaalsContact C-N 3.27Å; K133-C135 PolarHBondContact O-N 3.39Å; K133-T136 PolarHBondContact O-N 3.39Å; K133-S137 WeakPolarHBondContact O-CB 3.2Å; K133-S137 PolarHBondContact O-N 3.35Å; K133-P140 WeakPolarHBondContact CE-O 3.38Å; K133-P140 PolarHBondContact NZ-O 2.86Å; K133-L144 HydrophobicContact CD-CB 4.39Å; K133-L144 HydrophobicContact CD-CD1 4.33Å; K133-L144 HydrophobicContact CG-CD1 4.18Å; K133-I149 HydrophobicContact CB-CD1 4.09Å; K133-I149 HydrophobicContact CB-CG1 4.25Å; K133-I149 HydrophobicContact CB-CG2 4.18Å; K133-I149 HydrophobicContact CD-CD1 4.15Å; K133-I149 HydrophobicContact CD-CG1 4.48Å; K133-I149 HydrophobicContact CG-CD1 4.33Å; K133-I149 HydrophobicContact CG-CG1 4.29Å |
| 134 | R | 96.7 | Very high | 95 | Very high | 139 Ų | 139 | 84 Ų | 84 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 177.4 | -72.5 | -171.1 | -63 | -87.7 | 4.6 | 112.9 | E130 T131 L132 P140 | E130-R134 WeakPolarHBondContact O-CG 3.42Å; E130-R134 PolarHBondContact O-N 3.26Å; E130-R134 VanDerWaalsContact O-N 3.07Å; E130-R134 PolarHBondContact O-NH1 2.92Å; T131-R134 PolarHBondContact O-N 2.83Å; T131-R134 VanDerWaalsContact O-N 3.12Å; T131-R134 PolarHBondContact OG1-NH2 3.04Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 3.31Å; R134-P140 HydrophobicContact CG-CB 4.1Å |
| 135 | C | 95 | Very high | 94.9 | Very high | 80 Ų | 80 | 81.2 Ų | 81.2 | 54% | 0.541 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -81.8 | -26.7 | -179.5 | -59.9 | 0 | 0 | 0 | 0 | 113.9 | T131 L132 K133 | T131-C135 PolarHBondContact O-N 3.07Å; T131-C135 PolarHBondContact O-SG 3.45Å; L132-C135 PolarHBondContact O-N 3.12Å; K133-C135 VanDerWaalsContact C-N 3.27Å; K133-C135 PolarHBondContact O-N 3.39Å |
| 136 | T | 96.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 83.4 Ų | 83.4 | 11% | 0.11 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -116.1 | -21 | -165.9 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | L132 K133 A153 Y156 | L132-T136 HydrophobicContact CD1-CG2 3.79Å; L132-T136 HydrophobicContact CG-CG2 4.42Å; L132-T136 WeakPolarHBondContact O-CB 3.49Å; L132-T136 WeakPolarHBondContact O-CG2 3.43Å; L132-T136 PolarHBondContact O-N 3.39Å; L132-T136 VanDerWaalsContact O-N 3.1Å; L132-T136 PolarHBondContact O-OG1 3.38Å; K133-T136 PolarHBondContact O-N 3.39Å; T136-A153 HydrophobicContact CG2-CB 3.89Å; T136-Y156 HydrophobicContact CG2-CD1 4.17Å; T136-Y156 HydrophobicContact CG2-CG 4.37Å |
| 137 | S | 92.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 83.6 Ų | 83.6 | 12% | 0.119 | 44% | 0.438 | C | S | . | . | trans | -92.1 | 134.8 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | K133 N139 | K133-S137 WeakPolarHBondContact O-CB 3.2Å; K133-S137 PolarHBondContact O-N 3.35Å; S137-N139 PolarHBondContact O-N 2.91Å; S137-N139 PolarHBondContact OG-N 3.21Å; S137-N139 PolarHBondContact OG-O 3.43Å | ||
| 138 | S | 89 | Confident | 94.8 | Very high | 119 Ų | 119 | 79.9 Ų | 79.9 | 83% | 0.832 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -63.9 | -26.8 | 169.8 | -46.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 139 | N | 90.2 | Very high | 94.8 | Very high | 100 Ų | 100 | 77.1 Ų | 77.1 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -123.2 | 93.8 | 178.6 | -68.8 | -52.5 | 0 | 0 | 0 | 110 | S137 N141 Q142 | S137-N139 PolarHBondContact O-N 2.91Å; S137-N139 PolarHBondContact OG-N 3.21Å; S137-N139 PolarHBondContact OG-O 3.43Å; N139-N141 VanDerWaalsContact C-N 3.26Å; N139-N141 PolarHBondContact O-N 3.26Å; N139-Q142 HydrophobicContact CB-CB 4.33Å; N139-Q142 PolarHBondContact O-N 3.02Å | ||
| 140 | P | 86.2 | Confident | 94.8 | Very high | 52 Ų | 52 | 79.1 Ų | 79.1 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.6 | -176.8 | 27.1 | -34.9 | 0 | 0 | 0 | 113.4 | K133 R134 Q142 | K133-P140 WeakPolarHBondContact CE-O 3.38Å; K133-P140 PolarHBondContact NZ-O 2.86Å; R134-P140 HydrophobicContact CG-CB 4.1Å; P140-Q142 VanDerWaalsContact C-N 3.3Å; P140-Q142 PolarHBondContact O-N 2.96Å |
| 141 | N | 89.4 | Confident | 94.9 | Very high | 161 Ų | 161 | 81.3 Ų | 81.3 | 86% | 0.861 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.9 | -179.8 | -62.6 | -34.8 | 0 | 0 | 0 | 113.1 | N139 | N139-N141 VanDerWaalsContact C-N 3.26Å; N139-N141 PolarHBondContact O-N 3.26Å |
| 142 | Q | 92 | Very high | 94.9 | Very high | 107 Ų | 107 | 79.6 Ų | 79.6 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -74.3 | 134.3 | 176.8 | -171.4 | 176.7 | 3.6 | 0 | 0 | 110.2 | N139 P140 L144 | N139-Q142 HydrophobicContact CB-CB 4.33Å; N139-Q142 PolarHBondContact O-N 3.02Å; P140-Q142 VanDerWaalsContact C-N 3.3Å; P140-Q142 PolarHBondContact O-N 2.96Å; Q142-L144 HydrophobicContact CG-CD2 4.22Å; Q142-L144 PolarHBondContact O-N 3.46Å |
| 143 | R | 94.2 | Very high | 94.9 | Very high | 237 Ų | 237 | 77.3 Ų | 77.3 | 89% | 0.894 | 39% | 0.393 | S | S | * | . | trans | -69.6 | 117.6 | 168.6 | -73.3 | -177.7 | 72.8 | -166.6 | 2.7 | 108.6 | ||||
| 144 | L | 93.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 81.2 Ų | 81.2 | 19% | 0.188 | 41% | 0.413 | C | S | . | . | trans | -115.6 | 141.4 | 176.7 | -66.7 | 176.3 | 0 | 0 | 0 | 110.2 | K133 Q142 I149 | K133-L144 HydrophobicContact CD-CB 4.39Å; K133-L144 HydrophobicContact CD-CD1 4.33Å; K133-L144 HydrophobicContact CG-CD1 4.18Å; Q142-L144 HydrophobicContact CG-CD2 4.22Å; Q142-L144 PolarHBondContact O-N 3.46Å; L144-I149 HydrophobicContact CB-CD1 4.3Å; L144-I149 HydrophobicContact CB-CG1 3.8Å | ||
| 145 | P | 96.9 | Very high | 95 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | trans | -69.5 | 149.2 | 172.9 | 29 | -32 | 0 | 0 | 0 | 110.2 | V147 E148 I149 | P145-V147 HydrophobicContact CB-CG1 4.42Å; P145-V147 PolarHBondContact O-N 3.47Å; P145-V147 VanDerWaalsContact O-N 3.16Å; P145-E148 HydrophobicContact CG-CB 3.67Å; P145-E148 PolarHBondContact O-N 3.03Å; P145-I149 PolarHBondContact O-N 3.19Å; P145-I149 VanDerWaalsContact O-N 3.09Å | ||
| 146 | K | 97.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 82.8 Ų | 82.8 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.5 | -40.8 | -176.8 | -71.1 | -173.4 | 175.6 | -174.5 | 0 | 112.9 | N126 F129 E148 I149 L150 | N126-K146 WeakPolarHBondContact OD1-CE 3.41Å; N126-K146 PolarHBondContact OD1-NZ 2.79Å; F129-K146 HydrophobicContact CD1-CB 4.16Å; F129-K146 HydrophobicContact CD1-CG 3.98Å; F129-K146 HydrophobicContact CD2-CD 4.3Å; F129-K146 HydrophobicContact CE1-CB 3.68Å; F129-K146 HydrophobicContact CE1-CD 4.33Å; F129-K146 HydrophobicContact CE1-CG 3.93Å; F129-K146 HydrophobicContact CE2-CD 4.11Å; F129-K146 HydrophobicContact CG-CD 4.5Å; F129-K146 HydrophobicContact CG-CG 4.33Å; F129-K146 HydrophobicContact CZ-CB 4.06Å; F129-K146 HydrophobicContact CZ-CD 4.13Å; F129-K146 HydrophobicContact CZ-CG 4.23Å; K146-E148 VanDerWaalsContact C-N 3.28Å; K146-E148 PolarHBondContact O-N 3.32Å; K146-I149 PolarHBondContact O-N 3.48Å; K146-L150 WeakPolarHBondContact O-CG 3.48Å; K146-L150 PolarHBondContact O-N 3.24Å; K146-L150 VanDerWaalsContact O-N 3.14Å |
| 147 | V | 98.2 | Very high | 95.2 | Very high | 75 Ų | 75 | 86.3 Ų | 86.3 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 178 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | P145 L150 R151 | P145-V147 HydrophobicContact CB-CG1 4.42Å; P145-V147 PolarHBondContact O-N 3.47Å; P145-V147 VanDerWaalsContact O-N 3.16Å; V147-L150 PolarHBondContact O-N 3.49Å; V147-R151 WeakPolarHBondContact O-CG 3.18Å; V147-R151 PolarHBondContact O-N 2.63Å; V147-R151 VanDerWaalsContact O-N 3.07Å |
| 148 | E | 97.5 | Very high | 95.5 | Very high | 50 Ų | 50 | 90.8 Ų | 90.8 | 23% | 0.234 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -76.5 | -35 | -179.8 | -166 | 59.5 | -151 | 0 | 0 | 111.7 | P145 K146 L150 R151 N152 R155 | P145-E148 HydrophobicContact CG-CB 3.67Å; P145-E148 PolarHBondContact O-N 3.03Å; K146-E148 VanDerWaalsContact C-N 3.28Å; K146-E148 PolarHBondContact O-N 3.32Å; E148-L150 PolarHBondContact O-N 2.95Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 IonicContact OE2-CZ 3.81Å; E148-R151 IonicContact OE2-NH1 2.78Å; E148-R151 PolarHBondContact OE2-NH1 3.34Å; E148-N152 WeakPolarHBondContact O-CB 3.42Å; E148-N152 PolarHBondContact O-N 3.5Å; E148-N152 PolarHBondContact O-ND2 2.95Å; E148-R155 IonicContact OE1-NH2 3.45Å; E148-R155 PolarHBondContact OE1-NH2 3.49Å |
| 149 | I | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 86.8 Ų | 86.8 | 2% | 0.015 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 170.5 | -61.5 | 168.8 | 0 | 0 | 0 | 110.1 | F129 L132 K133 L144 P145 K146 N152 A153 | F129-I149 HydrophobicContact CD1-CB 4.25Å; F129-I149 HydrophobicContact CD1-CD1 4.11Å; F129-I149 HydrophobicContact CD1-CG2 4.1Å; L132-I149 HydrophobicContact CB-CG2 4.25Å; L132-I149 HydrophobicContact CD2-CG2 3.93Å; L132-I149 HydrophobicContact CG-CG2 3.93Å; K133-I149 HydrophobicContact CB-CD1 4.09Å; K133-I149 HydrophobicContact CB-CG1 4.25Å; K133-I149 HydrophobicContact CB-CG2 4.18Å; K133-I149 HydrophobicContact CD-CD1 4.15Å; K133-I149 HydrophobicContact CD-CG1 4.48Å; K133-I149 HydrophobicContact CG-CD1 4.33Å; K133-I149 HydrophobicContact CG-CG1 4.29Å; L144-I149 HydrophobicContact CB-CD1 4.3Å; L144-I149 HydrophobicContact CB-CG1 3.8Å; P145-I149 PolarHBondContact O-N 3.19Å; P145-I149 VanDerWaalsContact O-N 3.09Å; K146-I149 PolarHBondContact O-N 3.48Å; I149-N152 PolarHBondContact O-N 2.98Å; I149-A153 PolarHBondContact O-N 3.48Å |
| 150 | L | 98.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 85.6 Ų | 85.6 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.7 | -63.5 | 174.8 | 0 | 0 | 0 | 112.4 | F129 L132 K146 V147 E148 A153 I154 | F129-L150 HydrophobicContact CE1-CD1 4.47Å; F129-L150 HydrophobicContact CE1-CD2 3.95Å; F129-L150 HydrophobicContact CE1-CG 3.98Å; F129-L150 HydrophobicContact CZ-CD1 4.39Å; F129-L150 HydrophobicContact CZ-CD2 4.13Å; F129-L150 HydrophobicContact CZ-CG 4.32Å; L132-L150 HydrophobicContact CD2-CD2 4.25Å; K146-L150 WeakPolarHBondContact O-CG 3.48Å; K146-L150 PolarHBondContact O-N 3.24Å; K146-L150 VanDerWaalsContact O-N 3.14Å; V147-L150 PolarHBondContact O-N 3.49Å; E148-L150 PolarHBondContact O-N 2.95Å; L150-A153 WeakPolarHBondContact O-CB 3.45Å; L150-A153 PolarHBondContact O-N 3.44Å; L150-I154 WeakPolarHBondContact O-CG1 3.28Å; L150-I154 PolarHBondContact O-N 2.89Å; L150-I154 VanDerWaalsContact O-N 3.07Å |
| 151 | R | 98.1 | Very high | 96.8 | Very high | 130 Ų | 130 | 88.4 Ų | 88.4 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176 | -69 | 179.3 | -165.4 | 138.5 | -5.2 | 112.4 | V147 E148 A153 I154 R155 | V147-R151 WeakPolarHBondContact O-CG 3.18Å; V147-R151 PolarHBondContact O-N 2.63Å; V147-R151 VanDerWaalsContact O-N 3.07Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 IonicContact OE2-CZ 3.81Å; E148-R151 IonicContact OE2-NH1 2.78Å; E148-R151 PolarHBondContact OE2-NH1 3.34Å; R151-A153 VanDerWaalsContact C-N 3.31Å; R151-A153 PolarHBondContact O-N 3.23Å; R151-I154 PolarHBondContact O-N 2.91Å; R151-R155 PolarHBondContact O-N 3.29Å; R151-R155 VanDerWaalsContact O-N 3.08Å |
| 152 | N | 97.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 83 Ų | 83 | 11% | 0.112 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 173.7 | -78.8 | -37.6 | 0 | 0 | 0 | 111.1 | E148 I149 I154 R155 Y156 | E148-N152 WeakPolarHBondContact O-CB 3.42Å; E148-N152 PolarHBondContact O-N 3.5Å; E148-N152 PolarHBondContact O-ND2 2.95Å; I149-N152 PolarHBondContact O-N 2.98Å; N152-I154 PolarHBondContact O-N 2.87Å; N152-R155 PolarHBondContact O-N 3.43Å; N152-R155 VanDerWaalsContact OD1-CZ 3.31Å; N152-R155 PolarHBondContact OD1-NH1 2.89Å; N152-R155 PolarHBondContact OD1-NH2 3.17Å; N152-Y156 VanDerWaalsContact O-CB 3.31Å; N152-Y156 WeakPolarHBondContact O-CB 3.42Å; N152-Y156 PolarHBondContact O-N 3.28Å |
| 153 | A | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 83 Ų | 83 | 9% | 0.091 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L132 T136 I149 L150 R151 Y156 I157 | L132-A153 HydrophobicContact CD1-CB 3.87Å; L132-A153 HydrophobicContact CD2-CB 4.09Å; L132-A153 HydrophobicContact CG-CB 4.21Å; T136-A153 HydrophobicContact CG2-CB 3.89Å; I149-A153 PolarHBondContact O-N 3.48Å; L150-A153 WeakPolarHBondContact O-CB 3.45Å; L150-A153 PolarHBondContact O-N 3.44Å; R151-A153 VanDerWaalsContact C-N 3.31Å; R151-A153 PolarHBondContact O-N 3.23Å; A153-Y156 PolarHBondContact O-N 3.45Å; A153-I157 VanDerWaalsContact O-CG1 3.32Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.38Å |
| 154 | I | 98.2 | Very high | 97.4 | Very high | 96 Ų | 96 | 76.7 Ų | 76.7 | 49% | 0.492 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -53 | 176.2 | -66 | 164.6 | 0 | 0 | 0 | 110 | L150 R151 N152 Y156 I157 E158 | L150-I154 WeakPolarHBondContact O-CG1 3.28Å; L150-I154 PolarHBondContact O-N 2.89Å; L150-I154 VanDerWaalsContact O-N 3.07Å; R151-I154 PolarHBondContact O-N 2.91Å; N152-I154 PolarHBondContact O-N 2.87Å; I154-Y156 VanDerWaalsContact C-N 3.27Å; I154-Y156 PolarHBondContact O-N 3.34Å; I154-I157 PolarHBondContact O-N 3.28Å; I154-E158 HydrophobicContact CG2-CG 4.38Å; I154-E158 WeakPolarHBondContact O-CG 3.5Å; I154-E158 PolarHBondContact O-N 3.12Å |
| 155 | R | 98.1 | Very high | 97.4 | Very high | 136 Ų | 136 | 84.1 Ų | 84.1 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 178.9 | -76 | -169 | -82 | 110.9 | -7.1 | 112.8 | E148 R151 N152 G159 | E148-R155 IonicContact OE1-NH2 3.45Å; E148-R155 PolarHBondContact OE1-NH2 3.49Å; R151-R155 PolarHBondContact O-N 3.29Å; R151-R155 VanDerWaalsContact O-N 3.08Å; N152-R155 PolarHBondContact O-N 3.43Å; N152-R155 VanDerWaalsContact OD1-CZ 3.31Å; N152-R155 PolarHBondContact OD1-NH1 2.89Å; N152-R155 PolarHBondContact OD1-NH2 3.17Å; R155-G159 PolarHBondContact O-N 3.37Å |
| 156 | Y | 97.9 | Very high | 97 | Very high | 116 Ų | 116 | 85.7 Ų | 85.7 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 179.1 | -174.6 | -108.3 | 0 | 0 | 0 | 111.5 | T136 N152 A153 I154 G159 L160 | T136-Y156 HydrophobicContact CG2-CD1 4.17Å; T136-Y156 HydrophobicContact CG2-CG 4.37Å; N152-Y156 VanDerWaalsContact O-CB 3.31Å; N152-Y156 WeakPolarHBondContact O-CB 3.42Å; N152-Y156 PolarHBondContact O-N 3.28Å; A153-Y156 PolarHBondContact O-N 3.45Å; I154-Y156 VanDerWaalsContact C-N 3.27Å; I154-Y156 PolarHBondContact O-N 3.34Å; Y156-G159 PolarHBondContact O-N 2.83Å; Y156-L160 HydrophobicContact CD1-CD1 3.89Å; Y156-L160 HydrophobicContact CE1-CD1 3.42Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.42Å; Y156-L160 HydrophobicContact CE1-CG 4.26Å; Y156-L160 HydrophobicContact CE2-CD1 4.5Å; Y156-L160 WeakPolarHBondContact O-CG 3.35Å; Y156-L160 PolarHBondContact O-N 3.03Å |
| 157 | I | 97.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 88.1 Ų | 88.1 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.8 | -66.6 | 165.8 | 0 | 0 | 0 | 110.7 | A153 I154 G159 L160 Q161 | A153-I157 VanDerWaalsContact O-CG1 3.32Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.38Å; I154-I157 PolarHBondContact O-N 3.28Å; I157-G159 VanDerWaalsContact C-N 3.33Å; I157-G159 PolarHBondContact O-N 2.99Å; I157-L160 PolarHBondContact O-N 3.25Å; I157-Q161 HydrophobicContact CG2-CG 4.31Å; I157-Q161 WeakPolarHBondContact O-CB 3.5Å; I157-Q161 VanDerWaalsContact O-CG 3.25Å; I157-Q161 WeakPolarHBondContact O-CG 3.39Å; I157-Q161 PolarHBondContact O-N 3.2Å |
| 158 | E | 98.1 | Very high | 95.3 | Very high | 111 Ų | 111 | 91.2 Ų | 91.2 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.2 | -71.2 | 172.3 | 163.3 | 0 | 0 | 112 | I154 Q161 A162 | I154-E158 HydrophobicContact CG2-CG 4.38Å; I154-E158 WeakPolarHBondContact O-CG 3.5Å; I154-E158 PolarHBondContact O-N 3.12Å; E158-Q161 PolarHBondContact O-N 2.93Å; E158-A162 PolarHBondContact O-N 2.89Å |
| 159 | G | 97.6 | Very high | 93.8 | Very high | 35 Ų | 35 | 92.6 Ų | 92.6 | 36% | 0.361 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R155 Y156 I157 Q161 A162 L163 | R155-G159 PolarHBondContact O-N 3.37Å; Y156-G159 PolarHBondContact O-N 2.83Å; I157-G159 VanDerWaalsContact C-N 3.33Å; I157-G159 PolarHBondContact O-N 2.99Å; G159-Q161 VanDerWaalsContact C-N 3.34Å; G159-Q161 PolarHBondContact O-N 3.1Å; G159-A162 PolarHBondContact O-N 3.14Å; G159-L163 WeakPolarHBondContact O-CG 3.47Å; G159-L163 PolarHBondContact O-N 2.94Å; G159-L163 VanDerWaalsContact O-N 3.16Å |
| 160 | L | 97.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 95 Ų | 95 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 175.1 | -69.3 | 178.6 | 0 | 0 | 0 | 112 | Y156 I157 L163 L164 | Y156-L160 HydrophobicContact CD1-CD1 3.89Å; Y156-L160 HydrophobicContact CE1-CD1 3.42Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.42Å; Y156-L160 HydrophobicContact CE1-CG 4.26Å; Y156-L160 HydrophobicContact CE2-CD1 4.5Å; Y156-L160 WeakPolarHBondContact O-CG 3.35Å; Y156-L160 PolarHBondContact O-N 3.03Å; I157-L160 PolarHBondContact O-N 3.25Å; L160-L163 PolarHBondContact O-N 2.89Å; L160-L164 WeakPolarHBondContact O-CG 3.35Å; L160-L164 PolarHBondContact O-N 3.15Å; L160-L164 VanDerWaalsContact O-N 3.11Å |
| 161 | Q | 97.6 | Very high | 90.2 | Very high | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 176.2 | -74.4 | 172.2 | -16.7 | 0 | 0 | 112 | I157 E158 G159 L164 R165 | I157-Q161 HydrophobicContact CG2-CG 4.31Å; I157-Q161 WeakPolarHBondContact O-CB 3.5Å; I157-Q161 VanDerWaalsContact O-CG 3.25Å; I157-Q161 WeakPolarHBondContact O-CG 3.39Å; I157-Q161 PolarHBondContact O-N 3.2Å; E158-Q161 PolarHBondContact O-N 2.93Å; G159-Q161 VanDerWaalsContact C-N 3.34Å; G159-Q161 PolarHBondContact O-N 3.1Å; Q161-L164 PolarHBondContact O-N 3.4Å; Q161-R165 VanDerWaalsContact O-CG 3.28Å; Q161-R165 WeakPolarHBondContact O-CG 3.25Å; Q161-R165 PolarHBondContact O-N 2.98Å; Q161-R165 VanDerWaalsContact O-N 3.08Å |
| 162 | A | 96.3 | Very high | 88.2 | Confident | 49 Ų | 49 | 95.9 Ų | 95.9 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E158 G159 L164 R165 D166 | E158-A162 PolarHBondContact O-N 2.89Å; G159-A162 PolarHBondContact O-N 3.14Å; A162-L164 VanDerWaalsContact C-N 3.33Å; A162-L164 PolarHBondContact O-N 3.4Å; A162-R165 PolarHBondContact O-N 2.88Å; A162-D166 PolarHBondContact O-N 3.31Å |
| 163 | L | 96.2 | Very high | 86.1 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 178.6 | -70.3 | 171.6 | 0 | 0 | 0 | 113.2 | G159 L160 Q167 | G159-L163 WeakPolarHBondContact O-CG 3.47Å; G159-L163 PolarHBondContact O-N 2.94Å; G159-L163 VanDerWaalsContact O-N 3.16Å; L160-L163 PolarHBondContact O-N 2.89Å; L163-Q167 WeakPolarHBondContact O-CG 3.46Å; L163-Q167 PolarHBondContact O-N 3.24Å |
| 164 | L | 95.4 | Very high | 84.1 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -43.6 | 176.1 | -70.1 | 172.5 | 0 | 0 | 0 | 111.4 | L160 Q161 A162 D166 Q167 D168 | L160-L164 WeakPolarHBondContact O-CG 3.35Å; L160-L164 PolarHBondContact O-N 3.15Å; L160-L164 VanDerWaalsContact O-N 3.11Å; Q161-L164 PolarHBondContact O-N 3.4Å; A162-L164 VanDerWaalsContact C-N 3.33Å; A162-L164 PolarHBondContact O-N 3.4Å; L164-D166 VanDerWaalsContact C-N 3.32Å; L164-D166 PolarHBondContact O-N 2.91Å; L164-Q167 PolarHBondContact O-N 3.45Å; L164-D168 PolarHBondContact O-N 3.21Å |
| 165 | R | 94.3 | Very high | 82.1 | Confident | 191 Ų | 191 | 100 Ų | 100 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -36.2 | 178.2 | -69 | 179.9 | 78.6 | 116.1 | 8.5 | 112.6 | Q161 A162 Q167 D168 A169 | Q161-R165 VanDerWaalsContact O-CG 3.28Å; Q161-R165 WeakPolarHBondContact O-CG 3.25Å; Q161-R165 PolarHBondContact O-N 2.98Å; Q161-R165 VanDerWaalsContact O-N 3.08Å; A162-R165 PolarHBondContact O-N 2.88Å; R165-Q167 VanDerWaalsContact C-N 3.34Å; R165-D168 PolarHBondContact O-N 3.41Å; R165-A169 WeakPolarHBondContact O-CB 3.06Å; R165-A169 PolarHBondContact O-N 3.11Å |
| 166 | D | 89 | Confident | 79.9 | Confident | 110 Ų | 110 | 96.5 Ų | 96.5 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.3 | -34.7 | 176.8 | -70.9 | -16.7 | 0 | 0 | 0 | 111.8 | A162 L164 A170 | A162-D166 PolarHBondContact O-N 3.31Å; L164-D166 VanDerWaalsContact C-N 3.32Å; L164-D166 PolarHBondContact O-N 2.91Å; D166-A170 PolarHBondContact O-N 3.28Å |
| 167 | Q | 83.8 | Confident | 77.8 | Confident | 146 Ų | 146 | 94.3 Ų | 94.3 | 68% | 0.682 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.8 | -37.6 | 172.9 | -73.8 | -165.4 | 92.1 | 0 | 0 | 112.8 | L163 L164 R165 A169 A170 | L163-Q167 WeakPolarHBondContact O-CG 3.46Å; L163-Q167 PolarHBondContact O-N 3.24Å; L164-Q167 PolarHBondContact O-N 3.45Å; R165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-A169 VanDerWaalsContact C-N 3.33Å; Q167-A170 PolarHBondContact O-N 3Å |
| 168 | D | 76.6 | Confident | 75.6 | Confident | 140 Ų | 140 | 98.6 Ų | 98.6 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.5 | -25.7 | 175.4 | -66.6 | -35.2 | 0 | 0 | 0 | 112.5 | L164 R165 | L164-D168 PolarHBondContact O-N 3.21Å; R165-D168 PolarHBondContact O-N 3.41Å |
| 169 | A | 66.3 | Low | 73.5 | Confident | 80 Ų | 80 | 103.9 Ų | 103.9 | 66% | 0.661 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -87.6 | -15.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R165 Q167 | R165-A169 WeakPolarHBondContact O-CB 3.06Å; R165-A169 PolarHBondContact O-N 3.11Å; Q167-A169 VanDerWaalsContact C-N 3.33Å |
| 170 | A | 60.1 | Low | 71.1 | Confident | 53 Ų | 53 | 105.4 Ų | 105.4 | 44% | 0.438 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -67.5 | 129.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | D166 Q167 | D166-A170 PolarHBondContact O-N 3.28Å; Q167-A170 PolarHBondContact O-N 3Å |
| 171 | P | 59.4 | Low | 68.9 | Low | 104 Ų | 104 | 108 Ų | 108 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | trans | -57.7 | 140.1 | -176.8 | 21.1 | -30.8 | 0 | 0 | 0 | 110.4 | G173 | P171-G173 PolarHBondContact O-N 3.38Š| ||
| 172 | P | 55.8 | Low | 66.5 | Low | 127 Ų | 127 | 105.3 Ų | 105.3 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 25.7 | -172.5 | 26.7 | -34.4 | 0 | 0 | 0 | 115 | ||
| 173 | G | 54.6 | Low | 64.4 | Low | 59 Ų | 59 | 109.6 Ų | 109.6 | 61% | 0.608 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -13.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P171 | P171-G173 PolarHBondContact O-N 3.38Š|
| 174 | A | 56.5 | Low | 62.3 | Low | 70 Ų | 70 | 112.2 Ų | 112.2 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99.6 | -41.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F178 | A174-F178 WeakPolarHBondContact O-CD2 3.42Š|
| 175 | A | 54.5 | Low | 60 | Low | 84 Ų | 84 | 112.4 Ų | 112.4 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -81.6 | -31.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A177 | A175-A177 VanDerWaalsContact C-N 3.28Å; A175-A177 PolarHBondContact O-N 2.88Å |
| 176 | A | 52.5 | Low | 58 | Low | 64 Ų | 64 | 110 Ų | 110 | 53% | 0.529 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -16.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F178 | A176-F178 VanDerWaalsContact C-N 3.34Š|
| 177 | A | 53.7 | Low | 55.8 | Low | 69 Ų | 69 | 108.3 Ų | 108.3 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -17.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A175 | A175-A177 VanDerWaalsContact C-N 3.28Å; A175-A177 PolarHBondContact O-N 2.88Å |
| 178 | F | 52.6 | Low | 53.6 | Low | 183 Ų | 183 | 113.1 Ų | 113.1 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -88.7 | -15.8 | 179.8 | -80 | -84.1 | 0 | 0 | 0 | 114.3 | A174 A176 | A174-F178 WeakPolarHBondContact O-CD2 3.42Å; A176-F178 VanDerWaalsContact C-N 3.34Å |
| 179 | Y | 53.3 | Low | 52.2 | Low | 222 Ų | 222 | 110.2 Ų | 110.2 | 87% | 0.871 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -119.4 | 10.6 | 179.8 | -86.7 | -79.7 | 0 | 0 | 0 | 114.4 | P181 | Y179-P181 WeakPolarHBondContact O-CD 3.22Š|
| 180 | A | 47.2 | Very low | 51.1 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 55% | 0.554 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 118.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G182 | A180-G182 PolarHBondContact O-N 3.13Š|
| 181 | P | 50.7 | Low | 50.6 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122 | 162.7 | -10.7 | 26.3 | 0 | 0 | 0 | 107.1 | Y179 | Y179-P181 WeakPolarHBondContact O-CD 3.22Š|
| 182 | G | 47.7 | Very low | 49.9 | Very low | 54 Ų | 54 | 119.7 Ų | 119.7 | 56% | 0.557 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 155.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114 | A180 L184 | A180-G182 PolarHBondContact O-N 3.13Å; G182-L184 PolarHBondContact O-N 3.14Å; G182-L184 VanDerWaalsContact O-N 3.1Å |
| 183 | P | 51.5 | Low | 49.5 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | trans | -67.3 | 110.8 | 179.8 | -12.3 | 27.1 | 0 | 0 | 0 | 110.3 | ||||
| 184 | L | 52.9 | Low | 49.3 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 145.5 | 168.7 | -69.3 | 176.5 | 0 | 0 | 0 | 110.3 | G182 | G182-L184 PolarHBondContact O-N 3.14Å; G182-L184 VanDerWaalsContact O-N 3.1Å |
| 185 | P | 46.8 | Very low | 48.8 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 159.8 | -172.1 | 29.8 | -34.7 | 0 | 0 | 0 | 112.5 | G187 | P185-G187 PolarHBondContact O-N 3.25Š|
| 186 | P | 52.4 | Low | 48.4 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -78.8 | 120.2 | -173.9 | 32.2 | -31.1 | 0 | 0 | 0 | 110.2 | ||
| 187 | G | 43 | Very low | 48.8 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 132.2 | 99.6 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P185 | P185-G187 PolarHBondContact O-N 3.25Š| ||
| 188 | R | 38 | Very low | 48.9 | Very low | 247 Ų | 247 | 135.9 Ų | 135.9 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | -175.8 | 131.3 | 117 | -124 | -174.7 | -158.9 | -94.6 | 3 | 108.8 | |||||
| 189 | G | 47 | Very low | 48.4 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | -65.2 | 156.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 190 | G | 42.2 | Very low | 48.4 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 163.7 | 105 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 191 | E | 49.9 | Very low | 48.4 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -54.8 | 157.8 | 173.7 | -61.6 | 162.3 | 102.4 | 0 | 0 | 111.5 | ||||
| 192 | H | 45.1 | Very low | 48.2 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | 154.3 | 112.2 | 133.8 | -88.4 | -105.5 | 0 | 0 | 0 | 112.5 | ||||
| 193 | Y | 47.9 | Very low | 48.2 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | 66 | 98.8 | 133.3 | -148.1 | -98.8 | 0 | 0 | 0 | 119.2 | ||||
| 194 | S | 50.1 | Low | 48 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -129.2 | 112.1 | 146 | -81.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 195 | G | 45.4 | Very low | 47.8 | Very low | 54 Ų | 54 | 134.4 Ų | 134.4 | 56% | 0.557 | 80% | 0.802 | S | S | * | * | cis | 110.9 | 65.6 | 43.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | S197 | G195-S197 PolarHBondContact O-N 3.31Š| ||
| 196 | D | 47.1 | Very low | 47.5 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -54.3 | 125.5 | 175.6 | -138.7 | -68.5 | 0 | 0 | 0 | 109.7 | ||||
| 197 | S | 59.5 | Low | 47.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -158.5 | 99.2 | 158.1 | -78 | 0 | 0 | 0 | 0 | 109.3 | G195 | G195-S197 PolarHBondContact O-N 3.31Š| ||
| 198 | D | 56 | Low | 47.8 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -53.8 | 129.1 | 163.5 | -134.1 | -25.2 | 0 | 0 | 0 | 111.7 | ||||
| 199 | A | 43.3 | Very low | 48.3 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -155.8 | 81.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 200 | S | 52.2 | Low | 48.8 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 20.5 | 105.2 | 147.5 | -67 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 201 | S | 46.9 | Very low | 49.5 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -134.5 | 135.6 | 148.4 | -80.6 | 0 | 0 | 0 | 0 | 108.6 | R203 | S201-R203 PolarHBondContact O-N 3.37Š| ||
| 202 | P | 46.8 | Very low | 49.7 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -67.6 | 109.6 | -175.8 | 27 | -30.5 | 0 | 0 | 0 | 108.4 | S204 | P202-S204 VanDerWaalsContact C-N 3.33Å; P202-S204 PolarHBondContact O-N 3.01Å | ||
| 203 | R | 49.4 | Very low | 49.4 | Very low | 241 Ų | 241 | 134.9 Ų | 134.9 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -63.9 | 101.5 | 161.1 | -66.8 | 179.4 | 71.2 | -176 | 2 | 105.8 | S201 N205 | S201-R203 PolarHBondContact O-N 3.37Å; R203-N205 VanDerWaalsContact C-N 3.28Å; R203-N205 PolarHBondContact O-N 3.24Å | ||
| 204 | S | 46.9 | Very low | 49.9 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -61.9 | 98.5 | 167.7 | 46 | 0 | 0 | 0 | 0 | 107.9 | P202 C206 | P202-S204 VanDerWaalsContact C-N 3.33Å; P202-S204 PolarHBondContact O-N 3.01Å; S204-C206 PolarHBondContact O-N 3.48Å | ||
| 205 | N | 47.2 | Very low | 49.5 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 79.2 | 166.1 | -178.8 | 57.1 | 0 | 0 | 0 | 107.4 | R203 S207 | R203-N205 VanDerWaalsContact C-N 3.28Å; R203-N205 PolarHBondContact O-N 3.24Å; N205-S207 VanDerWaalsContact CG-OG 3.29Å; N205-S207 PolarHBondContact ND2-OG 2.89Å; N205-S207 PolarHBondContact O-N 3.4Å; N205-S207 PolarHBondContact OD1-OG 3.28Å | ||
| 206 | C | 41.8 | Very low | 49.9 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -74.3 | 83.5 | 155.9 | 9.1 | 0 | 0 | 0 | 0 | 106 | S204 D208 | S204-C206 PolarHBondContact O-N 3.48Å; C206-D208 VanDerWaalsContact C-N 3.32Å; C206-D208 PolarHBondContact O-N 3.09Å | ||
| 207 | S | 50.9 | Low | 50.4 | Low | 82 Ų | 82 | 128.6 Ų | 128.6 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | trans | -58.3 | 103.5 | 164.1 | -53.8 | 0 | 0 | 0 | 0 | 107.9 | N205 G209 | N205-S207 VanDerWaalsContact CG-OG 3.29Å; N205-S207 PolarHBondContact ND2-OG 2.89Å; N205-S207 PolarHBondContact O-N 3.4Å; N205-S207 PolarHBondContact OD1-OG 3.28Å; S207-G209 PolarHBondContact O-N 2.75Å; S207-G209 VanDerWaalsContact O-N 3.08Å | ||
| 208 | D | 50.9 | Low | 49.6 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -31.1 | 102.9 | 138.5 | -171.1 | 20.9 | 0 | 0 | 0 | 110 | C206 | C206-D208 VanDerWaalsContact C-N 3.32Å; C206-D208 PolarHBondContact O-N 3.09Å | ||
| 209 | G | 48.6 | Very low | 48.9 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | trans | -147.7 | 51.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | S207 M211 | S207-G209 PolarHBondContact O-N 2.75Å; S207-G209 VanDerWaalsContact O-N 3.08Å; G209-M211 PolarHBondContact O-N 2.81Å | ||
| 210 | M | 55.8 | Low | 49 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -64.3 | 92.5 | 158.8 | -172.9 | -173.8 | -163.2 | 0 | 0 | 106.5 | D212 | M210-D212 PolarHBondContact O-N 3.3Š| ||
| 211 | M | 58.1 | Low | 48.3 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -66.2 | 117.3 | 161.4 | -79.5 | -68.7 | 150.3 | 0 | 0 | 107 | G209 Y213 | G209-M211 PolarHBondContact O-N 2.81Å; M211-Y213 PolarHBondContact O-N 3.28Å | ||
| 212 | D | 53.7 | Low | 48.2 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -56.7 | 84.7 | 168 | -63.3 | -67.7 | 0 | 0 | 0 | 110 | M210 S214 | M210-D212 PolarHBondContact O-N 3.3Å; D212-S214 PolarHBondContact O-N 2.64Å | ||
| 213 | Y | 39.1 | Very low | 47.9 | Very low | 222 Ų | 222 | 140.5 Ų | 140.5 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -76.9 | 86.7 | 165.9 | -132.2 | -89.4 | 0 | 0 | 0 | 107.6 | M211 G215 | M211-Y213 PolarHBondContact O-N 3.28Å; Y213-G215 PolarHBondContact O-N 3.44Å | ||
| 214 | S | 58.2 | Low | 47.2 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -60.4 | 86.3 | 161.4 | -65.1 | 0 | 0 | 0 | 0 | 108.4 | D212 | D212-S214 PolarHBondContact O-N 2.64Š| ||
| 215 | G | 42.3 | Very low | 46.9 | Very low | 52 Ų | 52 | 137.4 Ų | 137.4 | 54% | 0.536 | 77% | 0.77 | S | S | . | * | trans | -73.1 | 135.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y213 | Y213-G215 PolarHBondContact O-N 3.44Š| ||
| 216 | P | 53.5 | Low | 46.4 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -69.7 | 139.6 | 179.8 | 27.9 | -33 | 0 | 0 | 0 | 111.2 | S218 | P216-S218 PolarHBondContact O-N 3.09Š| ||
| 217 | P | 57.3 | Low | 46.1 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -84.5 | 105.7 | 175.2 | 32.9 | -28.6 | 0 | 0 | 0 | 108.7 | ||||
| 218 | S | 43.2 | Very low | 45.6 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -158.8 | 114.7 | 167.3 | -74.2 | 0 | 0 | 0 | 0 | 106.9 | P216 | P216-S218 PolarHBondContact O-N 3.09Š| ||
| 219 | G | 40.5 | Very low | 45.3 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 92.9 | 100.5 | 57.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 220 | A | 45.9 | Very low | 45.1 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 38.5 | 100.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 221 | R | 37.9 | Very low | 44.2 | Very low | 243 Ų | 243 | 149.8 Ų | 149.8 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -131.6 | 98.5 | 139.4 | -82.9 | -159 | -162.3 | -116.1 | 3.9 | 111.6 | ||||
| 222 | R | 43.2 | Very low | 43.3 | Very low | 216 Ų | 216 | 147.4 Ų | 147.4 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | 41.5 | 90.1 | 130 | -61.2 | -70.4 | -159.3 | -99 | -3 | 115.5 | N224 | R222-N224 PolarHBondContact O-N 3.2Š| |||
| 223 | R | 40.8 | Very low | 42.6 | Very low | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -50.7 | 120.3 | 143.8 | -168.8 | 174.8 | -79.7 | 156.6 | -6.3 | 107.4 | C225 | R223-C225 PolarHBondContact O-N 3.45Š| ||
| 224 | N | 35.5 | Very low | 42.3 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -62 | 97.3 | 172.2 | -91.8 | -13.4 | 0 | 0 | 0 | 108.9 | R222 | R222-N224 PolarHBondContact O-N 3.2Š| ||
| 225 | C | 40.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -83.5 | 112.6 | 157.6 | -70.7 | 0 | 0 | 0 | 0 | 107.8 | R223 | R223-C225 PolarHBondContact O-N 3.45Š| ||
| 226 | Y | 37.8 | Very low | 41.7 | Very low | 223 Ų | 223 | 147.3 Ų | 147.3 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -129.7 | 116.2 | 162 | -148.3 | -89.3 | 0 | 0 | 0 | 101.7 | ||||
| 227 | E | 33.5 | Very low | 40.9 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | cis | -161 | 134.2 | 25.2 | 175.3 | -150.4 | 172.2 | 0 | 0 | 104.7 | ||||
| 228 | G | 41.9 | Very low | 40.1 | Very low | 81 Ų | 81 | 149.5 Ų | 149.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -159.9 | 80.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 229 | A | 44.8 | Very low | 39.9 | Very low | 93 Ų | 93 | 155.1 Ų | 155.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -177.8 | 81.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 230 | Y | 43.9 | Very low | 40.3 | Very low | 197 Ų | 197 | 158 Ų | 158 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -155.5 | 71.7 | 152.6 | -147.7 | -107.1 | 0 | 0 | 0 | 112.2 | ||
| 231 | Y | 35.8 | Very low | 40.6 | Very low | 206 Ų | 206 | 157.4 Ų | 157.4 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | 171.1 | 135.9 | 126.5 | -112 | -92.1 | 0 | 0 | 0 | 110.6 | |||||
| 232 | S | 40.8 | Very low | 40.9 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -66.7 | 156 | -176.5 | -57.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 233 | E | 37.3 | Very low | 41.3 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -20.1 | 133.1 | 158.2 | -114.2 | 178.2 | 125.7 | 0 | 0 | 116.8 | ||||
| 234 | A | 34.5 | Very low | 42.1 | Very low | 86 Ų | 86 | 144 Ų | 144 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -144.7 | 130.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 235 | P | 49.6 | Very low | 43.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -83.6 | 120.9 | 179.3 | 31.6 | -29.1 | 0 | 0 | 0 | 109.7 | ||||
| 236 | S | 36.8 | Very low | 44.7 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -151.9 | 124.7 | 165.2 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 237 | E | 37.3 | Very low | 46.7 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -10 | 147.5 | 164.9 | -65.5 | -69.7 | 127.2 | 0 | 0 | 120.2 | ||||
| 238 | P | 41.1 | Very low | 49.1 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 126.8 | -176.9 | 32.3 | -31.8 | 0 | 0 | 0 | 112 | ||
| 239 | R | 39 | Very low | 51.4 | Low | 235 Ų | 235 | 130.4 Ų | 130.4 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 133.9 | 164 | -59.1 | -149.6 | 87.6 | 151.7 | 7.4 | 110.5 | ||
| 240 | P | 48.4 | Very low | 53.4 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -81 | 133.8 | -178.3 | 32.2 | -31.2 | 0 | 0 | 0 | 110.1 | ||
| 241 | G | 51.8 | Low | 55.5 | Low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | 142.7 | 16 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 242 | K | 45 | Very low | 58.2 | Low | 199 Ų | 199 | 119.1 Ų | 119.1 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -122.8 | 112.7 | 168.7 | -57.1 | 175.2 | -171.9 | 177.7 | 0 | 106.4 | A244 | K242-A244 PolarHBondContact O-N 3.27Š|
| 243 | S | 51 | Low | 60.5 | Low | 123 Ų | 123 | 116.9 Ų | 116.9 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -46.8 | 108.4 | 173.1 | 50.6 | 0 | 0 | 0 | 0 | 108 | A245 | S243-A245 PolarHBondContact O-N 3.14Š| ||
| 244 | A | 58.1 | Low | 62.9 | Low | 88 Ų | 88 | 110.4 Ų | 110.4 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -51 | 116.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | K242 V246 | K242-A244 PolarHBondContact O-N 3.27Å; A244-V246 VanDerWaalsContact C-N 3.34Å; A244-V246 PolarHBondContact O-N 3.47Å | ||
| 245 | A | 59.7 | Low | 65.7 | Low | 99 Ų | 99 | 109.8 Ų | 109.8 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | -59.2 | 105 | 179 | 0 | 0 | 0 | 0 | 0 | 106.2 | S243 S247 | S243-A245 PolarHBondContact O-N 3.14Å; A245-S247 PolarHBondContact O-N 3.16Å; A245-S247 VanDerWaalsContact O-N 3.09Å | ||
| 246 | V | 70.4 | Confident | 67.7 | Low | 98 Ų | 98 | 108 Ų | 108 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | trans | -59.8 | 120.1 | -179.2 | -174 | 0 | 0 | 0 | 0 | 106 | A244 S248 D250 C251 | A244-V246 VanDerWaalsContact C-N 3.34Å; A244-V246 PolarHBondContact O-N 3.47Å; V246-S248 PolarHBondContact O-N 3.17Å; V246-D250 HydrophobicContact CG1-CB 3.77Å; V246-C251 WeakPolarHBondContact CG1-SG 3.42Å | ||
| 247 | S | 81.1 | Confident | 70.2 | Confident | 57 Ų | 57 | 108.8 Ų | 108.8 | 40% | 0.399 | 64% | 0.642 | S | S | . | * | trans | -56.6 | 139.4 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | A245 L249 D250 C251 | A245-S247 PolarHBondContact O-N 3.16Å; A245-S247 VanDerWaalsContact O-N 3.09Å; S247-L249 PolarHBondContact O-N 3.13Å; S247-L249 PolarHBondContact OG-N 3.35Å; S247-D250 WeakPolarHBondContact CB-OD2 3.45Å; S247-D250 PolarHBondContact O-N 3.45Å; S247-C251 PolarHBondContact O-N 3.06Å; S247-C251 VanDerWaalsContact O-N 3.16Å | ||
| 248 | S | 82.9 | Confident | 72.5 | Confident | 92 Ų | 92 | 107.4 Ų | 107.4 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -53.2 | -28.1 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | V246 L252 | V246-S248 PolarHBondContact O-N 3.17Å; S248-L252 VanDerWaalsContact O-CG 3.24Å; S248-L252 WeakPolarHBondContact O-CG 3.31Å; S248-L252 PolarHBondContact O-N 2.95Å |
| 249 | L | 90.4 | Very high | 74.6 | Confident | 118 Ų | 118 | 107.5 Ų | 107.5 | 62% | 0.618 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.8 | -42.2 | 173.9 | -141.9 | 89.8 | 0 | 0 | 0 | 112.8 | S247 L252 S253 | S247-L249 PolarHBondContact O-N 3.13Å; S247-L249 PolarHBondContact OG-N 3.35Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 PolarHBondContact O-OG 2.74Å; L249-S253 VanDerWaalsContact O-OG 3.13Å |
| 250 | D | 87.4 | Confident | 76.7 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70 | -36.7 | -179.6 | -64.8 | -36.2 | 0 | 0 | 0 | 111.6 | V246 S247 L252 S253 S254 | V246-D250 HydrophobicContact CG1-CB 3.77Å; S247-D250 WeakPolarHBondContact CB-OD2 3.45Å; S247-D250 PolarHBondContact O-N 3.45Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 2.84Å; D250-S253 PolarHBondContact O-N 3.41Å; D250-S254 WeakPolarHBondContact O-CB 3.16Å; D250-S254 PolarHBondContact O-N 2.94Å |
| 251 | C | 86.8 | Confident | 77.6 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 41% | 0.412 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.4 | -42.8 | 170.9 | -72.7 | 0 | 0 | 0 | 0 | 111.6 | V246 S247 I255 | V246-C251 WeakPolarHBondContact CG1-SG 3.42Å; S247-C251 PolarHBondContact O-N 3.06Å; S247-C251 VanDerWaalsContact O-N 3.16Å; C251-I255 WeakPolarHBondContact O-CD1 3Å; C251-I255 VanDerWaalsContact O-CG1 3.24Å; C251-I255 WeakPolarHBondContact O-CG1 3.18Å; C251-I255 PolarHBondContact O-N 3.46Å |
| 252 | L | 92.1 | Very high | 78 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 56% | 0.555 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.6 | -42.4 | 178.5 | -69.3 | 171.2 | 0 | 0 | 0 | 111.5 | S248 L249 D250 S254 I255 V256 | S248-L252 VanDerWaalsContact O-CG 3.24Å; S248-L252 WeakPolarHBondContact O-CG 3.31Å; S248-L252 PolarHBondContact O-N 2.95Å; L249-L252 PolarHBondContact O-N 2.85Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 2.84Å; L252-S254 PolarHBondContact O-N 3.38Å; L252-I255 PolarHBondContact O-N 3.3Å; L252-V256 WeakPolarHBondContact O-CG2 3.38Å; L252-V256 PolarHBondContact O-N 3.1Å |
| 253 | S | 88.9 | Confident | 78.3 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 46% | 0.462 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.4 | -43.5 | 175.5 | -62 | 0 | 0 | 0 | 0 | 112.3 | L249 D250 I255 V256 E257 | L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 PolarHBondContact O-OG 2.74Å; L249-S253 VanDerWaalsContact O-OG 3.13Å; D250-S253 PolarHBondContact O-N 3.41Å; S253-I255 VanDerWaalsContact C-N 3.29Å; S253-I255 PolarHBondContact O-N 2.04Å; S253-V256 PolarHBondContact O-N 2.94Å; S253-E257 WeakPolarHBondContact O-CB 3.35Å; S253-E257 PolarHBondContact O-N 2.92Å |
| 254 | S | 89.6 | Confident | 78.3 | Confident | 56 Ų | 56 | 98.3 Ų | 98.3 | 39% | 0.392 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.1 | -31.2 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 113.5 | D250 L252 R258 | D250-S254 WeakPolarHBondContact O-CB 3.16Å; D250-S254 PolarHBondContact O-N 2.94Å; L252-S254 PolarHBondContact O-N 3.38Å; S254-R258 PolarHBondContact O-N 3.43Å; S254-R258 PolarHBondContact O-NE 2.96Å |
| 255 | I | 91.4 | Very high | 77.6 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 37% | 0.374 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.8 | -46.4 | 174.3 | -68.1 | 162.2 | 0 | 0 | 0 | 110.2 | C251 L252 S253 E257 R258 I259 | C251-I255 WeakPolarHBondContact O-CD1 3Å; C251-I255 VanDerWaalsContact O-CG1 3.24Å; C251-I255 WeakPolarHBondContact O-CG1 3.18Å; C251-I255 PolarHBondContact O-N 3.46Å; L252-I255 PolarHBondContact O-N 3.3Å; S253-I255 VanDerWaalsContact C-N 3.29Å; S253-I255 PolarHBondContact O-N 2.04Å; I255-E257 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 3.38Å; I255-R258 PolarHBondContact O-N 3.19Å; I255-I259 HydrophobicContact CG2-CD1 3.65Å; I255-I259 HydrophobicContact CG2-CG1 4.5Å; I255-I259 WeakPolarHBondContact O-CD1 3.41Å; I255-I259 VanDerWaalsContact O-CG1 3.26Å; I255-I259 WeakPolarHBondContact O-CG1 3.23Å; I255-I259 PolarHBondContact O-N 2.92Å; I255-I259 VanDerWaalsContact O-N 3.1Å |
| 256 | V | 91.7 | Very high | 76.5 | Confident | 89 Ų | 89 | 98 Ų | 98 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -41.7 | 179.5 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L252 S253 I259 S260 | L252-V256 WeakPolarHBondContact O-CG2 3.38Å; L252-V256 PolarHBondContact O-N 3.1Å; S253-V256 PolarHBondContact O-N 2.94Å; V256-I259 PolarHBondContact O-N 2.85Å; V256-S260 WeakPolarHBondContact O-CB 3.18Å; V256-S260 PolarHBondContact O-N 2.78Å; V256-S260 PolarHBondContact O-OG 3.05Å |
| 257 | E | 89.5 | Confident | 75.2 | Confident | 133 Ų | 133 | 99.6 Ų | 99.6 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 178.4 | -168.8 | 172.8 | -165 | 0 | 0 | 111.2 | S253 I255 I259 S260 T261 | S253-E257 WeakPolarHBondContact O-CB 3.35Å; S253-E257 PolarHBondContact O-N 2.92Å; I255-E257 VanDerWaalsContact C-N 3.34Å; I255-E257 PolarHBondContact O-N 3.38Å; E257-I259 PolarHBondContact O-N 2.79Å; E257-S260 PolarHBondContact O-N 3.1Å; E257-S260 VanDerWaalsContact O-N 3.15Å; E257-T261 WeakPolarHBondContact O-CG2 3.31Å; E257-T261 PolarHBondContact O-N 3.07Å; E257-T261 PolarHBondContact O-OG1 3.21Å; E257-T261 VanDerWaalsContact O-OG1 3.06Å |
| 258 | R | 86.9 | Confident | 73.1 | Confident | 143 Ų | 143 | 101.4 Ų | 101.4 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.6 | -44.5 | 175.5 | -82.9 | -177.1 | -71.2 | 132.9 | -5.6 | 113.1 | S254 I255 S260 T261 E262 | S254-R258 PolarHBondContact O-N 3.43Å; S254-R258 PolarHBondContact O-NE 2.96Å; I255-R258 PolarHBondContact O-N 3.19Å; R258-S260 VanDerWaalsContact C-N 3.26Å; R258-S260 PolarHBondContact O-N 3.08Å; R258-T261 PolarHBondContact O-N 3.35Å; R258-T261 PolarHBondContact O-OG1 3.13Å; R258-E262 WeakPolarHBondContact O-CB 3.19Å; R258-E262 PolarHBondContact O-N 3.03Å |
| 259 | I | 84.4 | Confident | 70.9 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -32.2 | 179 | -62.8 | 164.4 | 0 | 0 | 0 | 111 | I255 V256 E257 | I255-I259 HydrophobicContact CG2-CD1 3.65Å; I255-I259 HydrophobicContact CG2-CG1 4.5Å; I255-I259 WeakPolarHBondContact O-CD1 3.41Å; I255-I259 VanDerWaalsContact O-CG1 3.26Å; I255-I259 WeakPolarHBondContact O-CG1 3.23Å; I255-I259 PolarHBondContact O-N 2.92Å; I255-I259 VanDerWaalsContact O-N 3.1Å; V256-I259 PolarHBondContact O-N 2.85Å; E257-I259 PolarHBondContact O-N 2.79Å |
| 260 | S | 83.4 | Confident | 68.5 | Low | 86 Ų | 86 | 107.1 Ų | 107.1 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.6 | -32.2 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | V256 E257 R258 | V256-S260 WeakPolarHBondContact O-CB 3.18Å; V256-S260 PolarHBondContact O-N 2.78Å; V256-S260 PolarHBondContact O-OG 3.05Å; E257-S260 PolarHBondContact O-N 3.1Å; E257-S260 VanDerWaalsContact O-N 3.15Å; R258-S260 VanDerWaalsContact C-N 3.26Å; R258-S260 PolarHBondContact O-N 3.08Å |
| 261 | T | 67.1 | Low | 66.1 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -83.7 | -25.5 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | E257 R258 S263 | E257-T261 WeakPolarHBondContact O-CG2 3.31Å; E257-T261 PolarHBondContact O-N 3.07Å; E257-T261 PolarHBondContact O-OG1 3.21Å; E257-T261 VanDerWaalsContact O-OG1 3.06Å; R258-T261 PolarHBondContact O-N 3.35Å; R258-T261 PolarHBondContact O-OG1 3.13Å; T261-S263 PolarHBondContact O-N 3.04Å; T261-S263 VanDerWaalsContact O-N 3.09Å |
| 262 | E | 60.8 | Low | 63.9 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -86.2 | 61.3 | 174.1 | -164.6 | 172.6 | 172.7 | 0 | 0 | 110.1 | R258 | R258-E262 WeakPolarHBondContact O-CB 3.19Å; R258-E262 PolarHBondContact O-N 3.03Å | ||
| 263 | S | 51.1 | Low | 61.2 | Low | 94 Ų | 94 | 113.9 Ų | 113.9 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | trans | -84.5 | 125.4 | 160.1 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | T261 A265 | T261-S263 PolarHBondContact O-N 3.04Å; T261-S263 VanDerWaalsContact O-N 3.09Å; S263-A265 VanDerWaalsContact C-N 3.3Å; S263-A265 PolarHBondContact O-N 3.35Å | ||
| 264 | P | 51 | Low | 58.7 | Low | 125 Ų | 125 | 117.2 Ų | 117.2 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -76.1 | 83.1 | -175.5 | 32 | -33.6 | 0 | 0 | 0 | 109.9 | A266 | P264-A266 PolarHBondContact O-N 3.23Š| ||
| 265 | A | 42.1 | Very low | 56.8 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | trans | -67.3 | 112.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | S263 | S263-A265 VanDerWaalsContact C-N 3.3Å; S263-A265 PolarHBondContact O-N 3.35Å | ||
| 266 | A | 38 | Very low | 54.9 | Low | 87 Ų | 87 | 121.7 Ų | 121.7 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | trans | -42.9 | 135.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | P264 A268 | P264-A266 PolarHBondContact O-N 3.23Å; A266-A268 PolarHBondContact O-N 3.41Å; A266-A268 VanDerWaalsContact O-N 3.08Å | ||
| 267 | P | 42.4 | Very low | 52.2 | Low | 132 Ų | 132 | 126.9 Ų | 126.9 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -74.6 | 106.8 | 170.8 | 28.6 | -28.8 | 0 | 0 | 0 | 109 | L269 | P267-L269 PolarHBondContact O-N 3.01Š| ||
| 268 | A | 36.4 | Very low | 50 | Low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | -58.6 | 126.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A266 | A266-A268 PolarHBondContact O-N 3.41Å; A266-A268 VanDerWaalsContact O-N 3.08Å | ||
| 269 | L | 37.3 | Very low | 48.4 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 6.7 | 114.3 | 155.7 | -52.1 | -175.8 | 0 | 0 | 0 | 117.7 | P267 L271 | P267-L269 PolarHBondContact O-N 3.01Å; L269-L271 HydrophobicContact CD1-CD1 4.29Å; L269-L271 PolarHBondContact O-N 2.81Å | ||
| 270 | L | 40.9 | Very low | 46.5 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 97% | 0.969 | 77% | 0.774 | S | S | * | * | trans | -72.1 | 97.2 | 148.9 | -66.2 | 180 | 0 | 0 | 0 | 108.4 | ||||
| 271 | L | 36.6 | Very low | 44.1 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -108.3 | 109.1 | 159.8 | -94.2 | 160.7 | 0 | 0 | 0 | 107.2 | L269 | L269-L271 HydrophobicContact CD1-CD1 4.29Å; L269-L271 PolarHBondContact O-N 2.81Å | ||
| 272 | A | 39.6 | Very low | 42.4 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 134.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 273 | D | 35.6 | Very low | 41.3 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -95.2 | 117 | -176.6 | -154.6 | -49.6 | 0 | 0 | 0 | 108.8 | ||||
| 274 | V | 37.7 | Very low | 40.5 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -149.5 | 135.9 | 160.7 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 275 | P | 48.7 | Very low | 39.7 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -112.8 | -160.2 | -160.9 | 49.3 | -37.9 | 0 | 0 | 0 | 112.5 | ||||
| 276 | P | 52.7 | Low | 39.2 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | -112.8 | 154.3 | -117.9 | 32.5 | -12.1 | 0 | 0 | 0 | 114.9 | |||||
| 277 | E | 34.1 | Very low | 39.1 | Very low | 198 Ų | 198 | 129.1 Ų | 129.1 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -149.6 | 150 | 156.7 | -90.4 | -129.5 | 99.9 | 0 | 0 | 112 | ||||
| 278 | S | 43.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -92.6 | 174.9 | -158.1 | -65.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 279 | P | 53.2 | Low | 39.4 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -96.5 | -177.2 | -159 | 43.3 | -36.6 | 0 | 0 | 0 | 112.8 | ||||
| 280 | P | 45.1 | Very low | 39.3 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -157.8 | 167.6 | 87.6 | 40.4 | -19.5 | 0 | 0 | 0 | 117.9 | |||||
| 281 | S | 31.9 | Very low | 39 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 62.5 | 136.2 | 146.1 | -58.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 282 | G | 31.7 | Very low | 39.1 | Very low | 65 Ų | 65 | 132 Ų | 132 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | cis | 167.8 | 174.1 | 3.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 283 | Q | 38.1 | Very low | 38.8 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 75.7 | 107.4 | 165.9 | -50 | -179.8 | -23 | 0 | 0 | 114.6 | ||||
| 284 | E | 33.2 | Very low | 38.7 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | cis | 61.2 | 99.5 | 49.9 | -143.1 | -172.2 | 140 | 0 | 0 | 112.9 | ||||
| 285 | A | 34.4 | Very low | 38.6 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 156.2 | 138.7 | 116.6 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 286 | A | 33.1 | Very low | 38.7 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 75.9 | 106.5 | 138.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 287 | A | 35.9 | Very low | 37.9 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -64.6 | 172.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 288 | P | 47.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -151.6 | 171 | 45 | 43.1 | -20.5 | 0 | 0 | 0 | 118.4 | ||||
| 289 | S | 36.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | 24.7 | 140.4 | 145.8 | 55.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 290 | E | 35.3 | Very low | 37.8 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | -179.7 | 116.3 | 127.6 | -93.1 | 163.9 | -178.2 | 0 | 0 | 108.2 | |||||
| 291 | E | 35.5 | Very low | 37.4 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | 44 | 127.1 | 102.2 | -66.5 | -167.8 | 132.4 | 0 | 0 | 113.8 | |||||
| 292 | E | 38.3 | Very low | 37.5 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | 178.3 | 139.1 | 62.7 | 175.7 | 172 | 105.2 | 0 | 0 | 111 | |||||
| 293 | S | 33.3 | Very low | 38 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | 52.6 | 139.6 | 140.3 | -145.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 294 | G | 32.4 | Very low | 38.7 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 143.4 | 85.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 295 | D | 37 | Very low | 38.9 | Very low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -97.2 | 149.9 | 154.4 | -168.4 | 30.7 | 0 | 0 | 0 | 107.6 | T297 | D295-T297 PolarHBondContact OD1-N 3.34Š| ||
| 296 | P | 50.8 | Low | 39 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -150.1 | 140.9 | 86 | 34.3 | -12.9 | 0 | 0 | 0 | 117 | |||||
| 297 | T | 35.5 | Very low | 39.8 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 64% | 0.638 | 80% | 0.798 | S | S | * | * | 44.3 | 123.9 | 124.8 | -55.7 | 0 | 0 | 0 | 0 | 120.7 | D295 | D295-T297 PolarHBondContact OD1-N 3.34Š| |||
| 298 | Q | 34.3 | Very low | 39.7 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | -175.5 | 126.8 | 125.3 | -102.7 | 166.1 | 69.5 | 0 | 0 | 114.1 | |||||
| 299 | S | 37.8 | Very low | 39.3 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -112.4 | 154.8 | 154 | -66 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 300 | P | 56.3 | Low | 39.4 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | -153.1 | 151.1 | 92.7 | 35.4 | -14.7 | 0 | 0 | 0 | 117.5 | |||||
| 301 | D | 35.8 | Very low | 39.9 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | 50.6 | 123.9 | 129 | -143.1 | 3.6 | 0 | 0 | 0 | 123.2 | |||||
| 302 | A | 34.4 | Very low | 40.7 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -178.3 | 126.7 | 138.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 303 | A | 41.8 | Very low | 41 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -122.7 | -179.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 304 | P | 54.3 | Low | 41.9 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -130.2 | 167.9 | -22.6 | 36.3 | -20.3 | 0 | 0 | 0 | 112.7 | ||||
| 305 | Q | 36.7 | Very low | 42.9 | Very low | 198 Ų | 198 | 125.2 Ų | 125.2 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -170.3 | 124.8 | 148.1 | -108.5 | 159.1 | 63.8 | 0 | 0 | 112.5 | ||||
| 306 | C | 35.4 | Very low | 43.4 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 156.2 | 160.7 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 307 | P | 49.9 | Very low | 43.2 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | -151.3 | 166.3 | 81.5 | 37.2 | -16.8 | 0 | 0 | 0 | 117.2 | |||||
| 308 | A | 35 | Very low | 43.6 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 60.6 | 108.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 309 | G | 38.7 | Very low | 44.2 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | 64 | 102.4 | 117.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 310 | A | 39.9 | Very low | 44.5 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -160 | 128.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 311 | N | 44.9 | Very low | 43.9 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -58 | 148.5 | 165 | -149.9 | -71.5 | 0 | 0 | 0 | 109.8 | N313 | N311-N313 PolarHBondContact OD1-N 2.7Š| ||
| 312 | P | 52.2 | Low | 44.3 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | -147.3 | 123.3 | 117.2 | 32.3 | -14.7 | 0 | 0 | 0 | 114.1 | P314 | P312-P314 WeakPolarHBondContact O-CD 3.43Š| |||
| 313 | N | 45.1 | Very low | 44.9 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -81.9 | 121.4 | 151.3 | -126.1 | -28.3 | 0 | 0 | 0 | 108.4 | N311 | N311-N313 PolarHBondContact OD1-N 2.7Š| ||
| 314 | P | 51.8 | Low | 45.1 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 60% | 0.604 | 83% | 0.829 | S | S | * | * | trans | -132.6 | 166.3 | 147.9 | 36.7 | -23.9 | 0 | 0 | 0 | 111.6 | P312 | P312-P314 WeakPolarHBondContact O-CD 3.43Š| ||
| 315 | I | 52.8 | Low | 44.5 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | trans | 108.5 | 67.9 | 165.4 | -48.7 | 154.1 | 0 | 0 | 0 | 113.8 | ||||
| 316 | Y | 47.3 | Very low | 45 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 93% | 0.925 | 83% | 0.83 | S | S | * | * | -99.8 | 111.2 | 125.8 | -87.6 | -85.6 | 0 | 0 | 0 | 107.7 | |||||
| 317 | Q | 48.3 | Very low | 45.8 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | 171.5 | 119.1 | 153.4 | -109.2 | 170.6 | -1.3 | 0 | 0 | 106.4 | ||||
| 318 | V | 43 | Very low | 45.4 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | 170.1 | 129.7 | 89.2 | 165 | 0 | 0 | 0 | 0 | 102.1 | |||||
| 319 | L | 46.4 | Very low | 46.4 | Very low | 245 Ų | 245 | 147.3 Ų | 147.3 | 100% | 1.283 | 83% | 0.834 | S | S | * | * | cis | -147.7 | 0 | 33.8 | -97.7 | 133 | 0 | 0 | 0 | 109.2 |
Retrieved 319 of 319 residues in 37 ms
(Link to these results)