| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38 | Very low | 33.9 | Very low | 244 Ų | 244 | 131.4 Ų | 131.4 | 100% | 1.202 | 82% | 0.824 | S | S | * | * | 0 | 116.1 | 0 | -81.6 | 171.7 | 171.1 | 0 | 0 | 108.4 | |||||
| 2 | S | 33.2 | Very low | 33.8 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -0.5 | 121 | 164.4 | 42.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 3 | L | 31.9 | Very low | 34.2 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | 72.3 | 125 | 120.3 | -60.9 | 169.4 | 0 | 0 | 0 | 122.4 | |||||
| 4 | T | 29.5 | Very low | 34 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -97.3 | -165.2 | 168.4 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | P | 54.1 | Low | 34.1 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 69% | 0.688 | 83% | 0.834 | S | S | * | * | -135 | -165.2 | -83.1 | 42.8 | -23.7 | 0 | 0 | 0 | 114.7 | |||||
| 6 | S | 32 | Very low | 33.8 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 84% | 0.844 | S | S | * | * | trans | 80.9 | 151.9 | 153.6 | 79.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 7 | A | 33.2 | Very low | 33.7 | Very low | 83 Ų | 83 | 145.3 Ų | 145.3 | 69% | 0.686 | 85% | 0.846 | S | S | * | * | cis | -164 | 159.4 | 23 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 8 | S | 31.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | 59.7 | 145.8 | 141.8 | 64 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 9 | A | 31 | Very low | 33.5 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | cis | -155.3 | 161.3 | 32.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 10 | S | 28.5 | Very low | 33.6 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 70% | 0.699 | 83% | 0.831 | S | S | * | * | trans | -96.6 | 159.6 | -175.6 | 50 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 11 | L | 30.7 | Very low | 34 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | 173.8 | 131.9 | 115.9 | -89.6 | 153 | 0 | 0 | 0 | 112.4 | |||||
| 12 | Q | 32.3 | Very low | 34.1 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 162.6 | 173.8 | -80.3 | -174.3 | -13.1 | 0 | 0 | 111.9 | ||
| 13 | P | 38.6 | Very low | 34.6 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 154 | -170.6 | 37 | -31.2 | 0 | 0 | 0 | 114.2 | ||
| 14 | A | 31.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 140.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 15 | K | 35 | Very low | 35.8 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 141.5 | 172.2 | -79.8 | 174.6 | 171.9 | 172.9 | 0 | 111.1 | ||
| 16 | M | 29.6 | Very low | 35.3 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 99% | 0.985 | 82% | 0.817 | S | S | * | * | trans | -142 | 151.5 | 150.8 | -105.2 | -174.9 | 146.5 | 0 | 0 | 111.7 | ||||
| 17 | K | 31.7 | Very low | 35.7 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -84.7 | 146.4 | -162.4 | -86 | 171.4 | 168.8 | 174.3 | 0 | 114 | ||||
| 18 | K | 32.9 | Very low | 36.2 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | 55.1 | 115.1 | 129.5 | -146.3 | 179.4 | -166.9 | -162.9 | 0 | 119.3 | E20 | K18-E20 WeakPolarHBondContact CE-OE1 3.28Å; K18-E20 IonicContact NZ-OE1 2.85Å; K18-E20 PolarHBondContact NZ-OE1 3.21Å | |||
| 19 | D | 32.3 | Very low | 36.9 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | -145.5 | 135.2 | 126.1 | -97.5 | -27.1 | 0 | 0 | 0 | 111 | |||||
| 20 | E | 33.9 | Very low | 37.4 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 66% | 0.659 | 78% | 0.777 | S | S | * | * | trans | -87 | 137.3 | -174.1 | -80.1 | 169.7 | -175 | 0 | 0 | 112.1 | K18 | K18-E20 WeakPolarHBondContact CE-OE1 3.28Å; K18-E20 IonicContact NZ-OE1 2.85Å; K18-E20 PolarHBondContact NZ-OE1 3.21Å | ||
| 21 | S | 42.8 | Very low | 38.2 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 51.4 | 99.7 | 132.2 | -61.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 22 | F | 40 | Very low | 38.9 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 93% | 0.934 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -142.4 | 6.6 | 145.7 | -113.4 | -86.3 | 0 | 0 | 0 | 116 | ||
| 23 | L | 43.2 | Very low | 39.8 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -115.2 | 7.1 | -176 | -78 | 167.6 | 0 | 0 | 0 | 115.8 | K25 | L23-K25 PolarHBondContact O-N 3.36Š|
| 24 | G | 42.1 | Very low | 40.4 | Very low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 25 | K | 45.6 | Very low | 41.3 | Very low | 209 Ų | 209 | 146.8 Ų | 146.8 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -1.2 | -171.5 | -86.5 | -178.1 | 175.4 | 177.5 | 0 | 116.2 | L23 | L23-K25 PolarHBondContact O-N 3.36Š|
| 26 | L | 43 | Very low | 42 | Very low | 133 Ų | 133 | 140 Ų | 140 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -106.2 | -9.9 | 178.3 | -86.2 | 152.5 | 0 | 0 | 0 | 114.6 | ||
| 27 | G | 40.6 | Very low | 43.3 | Very low | 47 Ų | 47 | 137.1 Ų | 137.1 | 49% | 0.485 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -84.5 | -21.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 28 | G | 43.8 | Very low | 44.3 | Very low | 54 Ų | 54 | 132.7 Ų | 132.7 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -82.7 | -23.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 29 | T | 44.4 | Very low | 45.3 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -86 | -29.6 | -177.6 | 37.2 | 0 | 0 | 0 | 0 | 113.1 | K33 | T29-K33 WeakPolarHBondContact O-CB 3.47Å; T29-K33 PolarHBondContact O-N 3.04Å |
| 30 | L | 42.3 | Very low | 46.4 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.4 | -38.6 | 177.2 | -85.9 | 155.5 | 0 | 0 | 0 | 112.9 | K33 K34 | L30-K33 PolarHBondContact O-N 3.06Å; L30-K34 PolarHBondContact O-N 3.12Å; L30-K34 VanDerWaalsContact O-N 3.11Å |
| 31 | V | 44.9 | Very low | 47.4 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 53% | 0.533 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.2 | -35.8 | 179.5 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | R35 | V31-R35 PolarHBondContact O-N 3.16Å |
| 32 | R | 47 | Very low | 48 | Very low | 210 Ų | 210 | 121.9 Ų | 121.9 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.8 | -38 | 174 | -95.5 | -178.5 | 173.5 | 173.2 | -1.6 | 112.9 | A36 | R32-A36 PolarHBondContact O-N 3.41Å; R32-A36 VanDerWaalsContact O-N 3.13Å |
| 33 | K | 49.7 | Very low | 48.6 | Very low | 166 Ų | 166 | 118.1 Ų | 118.1 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.8 | -32.8 | 178.3 | -156.7 | 174.3 | -175.6 | -178.8 | 0 | 112.3 | T29 L30 K37 | T29-K33 WeakPolarHBondContact O-CB 3.47Å; T29-K33 PolarHBondContact O-N 3.04Å; L30-K33 PolarHBondContact O-N 3.06Å; K33-K37 PolarHBondContact O-N 3.43Å |
| 34 | K | 51.6 | Low | 49.4 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.7 | -45.5 | 175.1 | -166.3 | 175.1 | 178.7 | -178.3 | 0 | 112.1 | L30 A36 K37 E38 | L30-K34 PolarHBondContact O-N 3.12Å; L30-K34 VanDerWaalsContact O-N 3.11Å; K34-A36 PolarHBondContact O-N 3Å; K34-K37 PolarHBondContact O-N 3.47Å; K34-E38 WeakPolarHBondContact O-CB 3.39Å; K34-E38 PolarHBondContact O-N 3.25Å |
| 35 | R | 50.9 | Low | 50.2 | Low | 174 Ų | 174 | 118.8 Ų | 118.8 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.2 | -34.5 | 176.6 | -73.1 | -172.9 | 178.2 | -176.8 | -0.1 | 113.5 | V31 V39 | V31-R35 PolarHBondContact O-N 3.16Å; R35-V39 WeakPolarHBondContact O-CB 3.33Å; R35-V39 WeakPolarHBondContact O-CG2 3.28Å; R35-V39 PolarHBondContact O-N 2.78Å |
| 36 | A | 50.8 | Low | 50.5 | Low | 64 Ų | 64 | 110.3 Ų | 110.3 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.9 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R32 K34 S40 | R32-A36 PolarHBondContact O-N 3.41Å; R32-A36 VanDerWaalsContact O-N 3.13Å; K34-A36 PolarHBondContact O-N 3Å; A36-S40 PolarHBondContact O-N 3.19Å; A36-S40 VanDerWaalsContact O-N 3.16Å |
| 37 | K | 55.3 | Low | 51.1 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 60% | 0.6 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -45.3 | 174.5 | -168.7 | 179 | 177.3 | -175.5 | 0 | 111.2 | K33 K34 V39 S40 D41 | K33-K37 PolarHBondContact O-N 3.43Å; K34-K37 PolarHBondContact O-N 3.47Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.16Å; K37-S40 WeakPolarHBondContact O-CA 3.5Å; K37-S40 WeakPolarHBondContact O-CB 3.42Å; K37-S40 PolarHBondContact O-N 3.38Å; K37-D41 PolarHBondContact O-N 3.19Å |
| 38 | E | 52.9 | Low | 51.9 | Low | 110 Ų | 110 | 113.5 Ų | 113.5 | 51% | 0.514 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.2 | -37.9 | 178.1 | -156.8 | 168.3 | -156.6 | 0 | 0 | 112.3 | K34 L42 | K34-E38 WeakPolarHBondContact O-CB 3.39Å; K34-E38 PolarHBondContact O-N 3.25Å; E38-L42 WeakPolarHBondContact O-CB 3.34Å; E38-L42 WeakPolarHBondContact O-CD1 3.43Å; E38-L42 VanDerWaalsContact O-CG 3.24Å; E38-L42 WeakPolarHBondContact O-CG 3.48Å; E38-L42 PolarHBondContact O-N 3.48Å |
| 39 | V | 53.9 | Low | 52.4 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.2 | -30.6 | 174.2 | 173 | 0 | 0 | 0 | 0 | 112.5 | R35 K37 H43 | R35-V39 WeakPolarHBondContact O-CB 3.33Å; R35-V39 WeakPolarHBondContact O-CG2 3.28Å; R35-V39 PolarHBondContact O-N 2.78Å; K37-V39 VanDerWaalsContact C-N 3.31Å; K37-V39 PolarHBondContact O-N 3.16Å; V39-H43 WeakPolarHBondContact O-CB 3.49Å; V39-H43 PolarHBondContact O-N 2.98Å |
| 40 | S | 55.3 | Low | 52.8 | Low | 67 Ų | 67 | 115.9 Ų | 115.9 | 47% | 0.469 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.5 | -44.3 | 174.3 | -170 | 0 | 0 | 0 | 0 | 111.3 | A36 K37 L42 H43 E44 | A36-S40 PolarHBondContact O-N 3.19Å; A36-S40 VanDerWaalsContact O-N 3.16Å; K37-S40 WeakPolarHBondContact O-CA 3.5Å; K37-S40 WeakPolarHBondContact O-CB 3.42Å; K37-S40 PolarHBondContact O-N 3.38Å; S40-L42 VanDerWaalsContact C-N 3.34Å; S40-L42 PolarHBondContact O-N 2.63Å; S40-H43 WeakPolarHBondContact O-CB 3.13Å; S40-H43 PolarHBondContact O-N 3.42Å; S40-H43 VanDerWaalsContact O-N 3.14Å; S40-E44 PolarHBondContact O-N 3.4Å |
| 41 | D | 54.6 | Low | 53.1 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 42% | 0.422 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.2 | -41.8 | 179.2 | -61.4 | -15.5 | 0 | 0 | 0 | 110 | K37 H43 E44 E45 | K37-D41 PolarHBondContact O-N 3.19Å; D41-H43 PolarHBondContact O-N 2.85Å; D41-E44 PolarHBondContact O-N 3.22Å; D41-E45 WeakPolarHBondContact O-CB 3.34Å; D41-E45 PolarHBondContact O-N 2.98Å |
| 42 | L | 55.9 | Low | 53.1 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.6 | -31.7 | 173.8 | -73 | 168.7 | 0 | 0 | 0 | 113.5 | E38 S40 G46 | E38-L42 WeakPolarHBondContact O-CB 3.34Å; E38-L42 WeakPolarHBondContact O-CD1 3.43Å; E38-L42 VanDerWaalsContact O-CG 3.24Å; E38-L42 WeakPolarHBondContact O-CG 3.48Å; E38-L42 PolarHBondContact O-N 3.48Å; S40-L42 VanDerWaalsContact C-N 3.34Å; S40-L42 PolarHBondContact O-N 2.63Å; L42-G46 PolarHBondContact O-N 2.8Å |
| 43 | H | 53.4 | Low | 53.1 | Low | 135 Ų | 135 | 108.1 Ų | 108.1 | 63% | 0.625 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.5 | -34.4 | 175.3 | -115.5 | 93.2 | 0 | 0 | 0 | 112.3 | V39 S40 D41 K47 | V39-H43 WeakPolarHBondContact O-CB 3.49Å; V39-H43 PolarHBondContact O-N 2.98Å; S40-H43 WeakPolarHBondContact O-CB 3.13Å; S40-H43 PolarHBondContact O-N 3.42Å; S40-H43 VanDerWaalsContact O-N 3.14Å; D41-H43 PolarHBondContact O-N 2.85Å; H43-K47 PolarHBondContact O-N 3.48Å |
| 44 | E | 59.3 | Low | 52.8 | Low | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.3 | -40.7 | 176.4 | -168.2 | 166.1 | -175.3 | 0 | 0 | 111 | S40 D41 K47 N48 | S40-E44 PolarHBondContact O-N 3.4Å; D41-E44 PolarHBondContact O-N 3.22Å; E44-K47 PolarHBondContact O-N 2.83Å; E44-N48 WeakPolarHBondContact O-CB 3.49Å; E44-N48 PolarHBondContact O-N 3.43Å |
| 45 | E | 58.9 | Low | 52.4 | Low | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -43.2 | 170.2 | -169 | 176 | -173.1 | 0 | 0 | 111.4 | D41 K47 N48 A49 | D41-E45 WeakPolarHBondContact O-CB 3.34Å; D41-E45 PolarHBondContact O-N 2.98Å; E45-K47 PolarHBondContact O-N 3.41Å; E45-N48 PolarHBondContact O-N 2.95Å; E45-A49 WeakPolarHBondContact O-CB 3.41Å; E45-A49 PolarHBondContact O-N 3.46Å |
| 46 | G | 53 | Low | 51.9 | Low | 31 Ų | 31 | 103.9 Ų | 103.9 | 32% | 0.32 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.2 | -39.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L42 A49 I50 | L42-G46 PolarHBondContact O-N 2.8Å; G46-A49 PolarHBondContact O-N 3.45Å; G46-I50 WeakPolarHBondContact O-CD1 3.48Å; G46-I50 VanDerWaalsContact O-CG1 3.23Å; G46-I50 WeakPolarHBondContact O-CG1 3.26Å; G46-I50 PolarHBondContact O-N 3.3Å; G46-I50 VanDerWaalsContact O-N 3.12Å |
| 47 | K | 55.2 | Low | 51.3 | Low | 140 Ų | 140 | 106.7 Ų | 106.7 | 61% | 0.609 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.1 | -38.4 | 173.2 | -92.5 | -178.2 | 172.9 | 179.8 | 0 | 112.5 | H43 E44 E45 N51 | H43-K47 PolarHBondContact O-N 3.48Å; E44-K47 PolarHBondContact O-N 2.83Å; E45-K47 PolarHBondContact O-N 3.41Å; K47-N51 PolarHBondContact O-N 3.43Å; K47-N51 PolarHBondContact O-ND2 3.48Å |
| 48 | N | 56 | Low | 50.7 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 57% | 0.567 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -36.7 | 176.9 | -74.6 | -17.2 | 0 | 0 | 0 | 111.7 | E44 E45 N51 A52 | E44-N48 WeakPolarHBondContact O-CB 3.49Å; E44-N48 PolarHBondContact O-N 3.43Å; E45-N48 PolarHBondContact O-N 2.95Å; N48-N51 PolarHBondContact O-N 3.04Å; N48-A52 PolarHBondContact O-N 3.13Å |
| 49 | A | 55 | Low | 50.3 | Low | 68 Ų | 68 | 104.9 Ų | 104.9 | 56% | 0.562 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E45 G46 | E45-A49 WeakPolarHBondContact O-CB 3.41Å; E45-A49 PolarHBondContact O-N 3.46Å; G46-A49 PolarHBondContact O-N 3.45Å |
| 50 | I | 53.6 | Low | 49.5 | Very low | 134 Ų | 134 | 109.6 Ų | 109.6 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.1 | -30.5 | 177.3 | -67.8 | 166.5 | 0 | 0 | 0 | 111.9 | G46 P53 | G46-I50 WeakPolarHBondContact O-CD1 3.48Å; G46-I50 VanDerWaalsContact O-CG1 3.23Å; G46-I50 WeakPolarHBondContact O-CG1 3.26Å; G46-I50 PolarHBondContact O-N 3.3Å; G46-I50 VanDerWaalsContact O-N 3.12Å; I50-P53 VanDerWaalsContact O-CD 3.25Å; I50-P53 WeakPolarHBondContact O-CD 3.27Å |
| 51 | N | 48.5 | Very low | 48.9 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 51% | 0.508 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -89 | -9.7 | -179.8 | -68.6 | -42.5 | 0 | 0 | 0 | 114.2 | K47 N48 L54 | K47-N51 PolarHBondContact O-N 3.43Å; K47-N51 PolarHBondContact O-ND2 3.48Å; N48-N51 PolarHBondContact O-N 3.04Å; N51-L54 PolarHBondContact O-N 3.43Å |
| 52 | A | 45.5 | Very low | 48.2 | Very low | 57 Ų | 57 | 113.9 Ų | 113.9 | 47% | 0.471 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -57.7 | -30.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | N48 L54 | N48-A52 PolarHBondContact O-N 3.13Å; A52-L54 PolarHBondContact O-N 3.41Å |
| 53 | P | 45.7 | Very low | 47.5 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -74.9 | -2.7 | -178.1 | -15.4 | 30.1 | 0 | 0 | 0 | 115.4 | I50 | I50-P53 VanDerWaalsContact O-CD 3.25Å; I50-P53 WeakPolarHBondContact O-CD 3.27Å |
| 54 | L | 44.3 | Very low | 47.2 | Very low | 155 Ų | 155 | 114.3 Ų | 114.3 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -108.6 | 2.1 | -175.7 | -77.9 | 160.3 | 0 | 0 | 0 | 114.1 | N51 A52 | N51-L54 PolarHBondContact O-N 3.43Å; A52-L54 PolarHBondContact O-N 3.41Å |
| 55 | L | 42.8 | Very low | 46.6 | Very low | 133 Ų | 133 | 112.5 Ų | 112.5 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -92.7 | 135.4 | 172 | -77.5 | 152.9 | 0 | 0 | 0 | 109.2 | S57 | L55-S57 PolarHBondContact O-N 2.78Š|
| 56 | P | 39.8 | Very low | 46.2 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | trans | -56.1 | 133.4 | 173.1 | 23.1 | -29.7 | 0 | 0 | 0 | 108.3 | A58 | P56-A58 PolarHBondContact O-N 3.16Š| ||
| 57 | S | 37.9 | Very low | 46.5 | Very low | 123 Ų | 123 | 115 Ų | 115 | 86% | 0.86 | 65% | 0.652 | S | S | * | * | trans | -40.8 | 109 | -174.6 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | L55 T59 | L55-S57 PolarHBondContact O-N 2.78Å; S57-T59 PolarHBondContact O-N 3.31Å; S57-T59 VanDerWaalsContact O-N 3.13Å | ||
| 58 | A | 42.7 | Very low | 47 | Very low | 87 Ų | 87 | 109.6 Ų | 109.6 | 72% | 0.719 | 63% | 0.63 | S | S | * | * | trans | -58.8 | 121.7 | 170 | 0 | 0 | 0 | 0 | 0 | 106.3 | P56 E60 | P56-A58 PolarHBondContact O-N 3.16Å; A58-E60 PolarHBondContact O-N 3.22Å; A58-E60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | T | 44.6 | Very low | 48 | Very low | 124 Ų | 124 | 112.1 Ų | 112.1 | 76% | 0.761 | 64% | 0.639 | S | S | * | * | trans | -45.1 | 123.6 | 168.5 | -0.8 | 0 | 0 | 0 | 0 | 107.7 | S57 I61 | S57-T59 PolarHBondContact O-N 3.31Å; S57-T59 VanDerWaalsContact O-N 3.13Å; T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 PolarHBondContact O-N 3.22Å | ||
| 60 | E | 37.8 | Very low | 48.9 | Very low | 187 Ų | 187 | 113.1 Ų | 113.1 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | trans | -64.2 | 90.8 | 173.3 | -73.2 | 179.5 | 163.5 | 0 | 0 | 107.8 | A58 H62 | A58-E60 PolarHBondContact O-N 3.22Å; A58-E60 VanDerWaalsContact O-N 3.16Å; E60-H62 PolarHBondContact O-N 3.12Å | ||
| 61 | I | 43 | Very low | 49.7 | Very low | 115 Ų | 115 | 111.8 Ų | 111.8 | 59% | 0.59 | 63% | 0.626 | S | S | * | * | trans | -74.5 | 113.5 | 172.6 | -59 | 170.8 | 0 | 0 | 0 | 105.9 | T59 D65 T66 | T59-I61 VanDerWaalsContact C-N 3.26Å; T59-I61 PolarHBondContact O-N 3.22Å; I61-D65 HydrophobicContact CG2-CB 3.91Å; I61-T66 HydrophobicContact CG2-CG2 3.85Å | ||
| 62 | H | 39.6 | Very low | 51 | Low | 121 Ų | 121 | 108.7 Ų | 108.7 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | trans | -65.8 | 142.8 | 177.6 | -113.2 | -92.4 | 0 | 0 | 0 | 108.9 | E60 E64 D65 | E60-H62 PolarHBondContact O-N 3.12Å; H62-E64 PolarHBondContact O-N 3.16Å; H62-D65 WeakPolarHBondContact CB-OD2 3.38Å; H62-D65 PolarHBondContact N-OD2 3.17Å; H62-D65 VanDerWaalsContact O-CB 3.3Å; H62-D65 WeakPolarHBondContact O-CB 3.46Å; H62-D65 PolarHBondContact O-N 2.92Å | ||
| 63 | P | 41.4 | Very low | 52.7 | Low | 91 Ų | 91 | 110.9 Ų | 110.9 | 59% | 0.591 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -55 | -30.3 | -179.5 | -25.3 | 32.7 | 0 | 0 | 0 | 113.5 | D65 T66 L67 | P63-D65 VanDerWaalsContact C-N 3.29Å; P63-D65 PolarHBondContact O-N 3.18Å; P63-T66 PolarHBondContact O-N 3.39Å; P63-T66 PolarHBondContact O-OG1 2.97Å; P63-L67 WeakPolarHBondContact O-CG 3.41Å |
| 64 | E | 46.9 | Very low | 54.3 | Low | 160 Ų | 160 | 109.9 Ų | 109.9 | 75% | 0.748 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -67.2 | -25.3 | 175.8 | -60.5 | -174.9 | -179.6 | 0 | 0 | 113.1 | H62 T66 L67 | H62-E64 PolarHBondContact O-N 3.16Å; E64-T66 PolarHBondContact O-N 3.01Å; E64-L67 PolarHBondContact O-N 3.4Å |
| 65 | D | 46.5 | Very low | 56.2 | Low | 77 Ų | 77 | 104.5 Ų | 104.5 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -72.5 | -12.1 | 175.1 | -65.3 | -46.6 | 0 | 0 | 0 | 113.1 | I61 H62 P63 R74 | I61-D65 HydrophobicContact CG2-CB 3.91Å; H62-D65 WeakPolarHBondContact CB-OD2 3.38Å; H62-D65 PolarHBondContact N-OD2 3.17Å; H62-D65 VanDerWaalsContact O-CB 3.3Å; H62-D65 WeakPolarHBondContact O-CB 3.46Å; H62-D65 PolarHBondContact O-N 2.92Å; P63-D65 VanDerWaalsContact C-N 3.29Å; P63-D65 PolarHBondContact O-N 3.18Å; D65-R74 IonicContact OD1-NH2 3.52Å |
| 66 | T | 50.8 | Low | 58.2 | Low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -107.2 | -7.9 | -179.9 | 61 | 0 | 0 | 0 | 0 | 114.1 | I61 P63 E64 L68 | I61-T66 HydrophobicContact CG2-CG2 3.85Å; P63-T66 PolarHBondContact O-N 3.39Å; P63-T66 PolarHBondContact O-OG1 2.97Å; E64-T66 PolarHBondContact O-N 3.01Å; T66-L68 PolarHBondContact O-N 3.21Å |
| 67 | L | 58.8 | Low | 60.6 | Low | 130 Ų | 130 | 98.9 Ų | 98.9 | 68% | 0.681 | 53% | 0.529 | S | S | * | . | trans | -98.7 | 78.3 | -175.9 | -69.9 | 168.5 | 0 | 0 | 0 | 111 | P63 E64 | P63-L67 WeakPolarHBondContact O-CG 3.41Å; E64-L67 PolarHBondContact O-N 3.4Å | ||
| 68 | L | 66.1 | Low | 63 | Low | 26 Ų | 26 | 94.7 Ų | 94.7 | 14% | 0.136 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 133.6 | 168.1 | -73.6 | 163 | 0 | 0 | 0 | 110.5 | T66 A72 R74 V211 K213 L218 | T66-L68 PolarHBondContact O-N 3.21Å; L68-A72 HydrophobicContact CD2-CB 4.17Å; L68-R74 HydrophobicContact CD2-CB 3.85Å; L68-V211 HydrophobicContact CD1-CB 4.04Å; L68-V211 HydrophobicContact CD1-CG1 3.57Å; L68-K213 HydrophobicContact CB-CB 4.11Å; L68-K213 HydrophobicContact CB-CD 4.31Å; L68-K213 WeakPolarHBondContact O-CD 3.44Å; L68-K213 PolarHBondContact O-NZ 3.42Å; L68-L218 HydrophobicContact CB-CD2 4.31Å; L68-L218 HydrophobicContact CD1-CD2 3.82Å |
| 69 | E | 76.3 | Confident | 65.2 | Low | 160 Ų | 160 | 95 Ų | 95 | 75% | 0.748 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 158.8 | 167.9 | -64.9 | -171.2 | 169.6 | 0 | 0 | 110.8 | N71 A72 | E69-N71 PolarHBondContact O-N 3.15Å; E69-A72 HydrophobicContact CB-CB 4.04Å; E69-A72 WeakPolarHBondContact O-CB 3.5Å; E69-A72 PolarHBondContact O-N 3.01Å |
| 70 | E | 74.4 | Confident | 67.3 | Low | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 128 | -178.9 | -169.7 | 59.7 | -149.1 | 0 | 0 | 110.6 | A72 R214 E215 G216 | E70-A72 PolarHBondContact O-N 2.85Å; E70-R214 WeakPolarHBondContact OE1-CA 3.27Å; E70-E215 WeakPolarHBondContact OE1-CA 3.31Å; E70-E215 PolarHBondContact OE1-N 3.34Å; E70-G216 PolarHBondContact OE2-N 2.79Å; E70-G216 VanDerWaalsContact OE2-N 3.14Å |
| 71 | N | 71.5 | Confident | 69.8 | Low | 107 Ų | 107 | 85.5 Ų | 85.5 | 57% | 0.572 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | -0.6 | -168.9 | -54.6 | -68.5 | 0 | 0 | 0 | 116.7 | E69 K213 | E69-N71 PolarHBondContact O-N 3.15Å; N71-K213 VanDerWaalsContact CA-O 3.23Å; N71-K213 WeakPolarHBondContact CA-O 3.39Å; N71-K213 PolarHBondContact N-O 2.93Å |
| 72 | A | 75.4 | Confident | 72 | Confident | 30 Ų | 30 | 84.7 Ų | 84.7 | 25% | 0.248 | 44% | 0.437 | C | S | . | . | trans | -66.8 | 147.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L68 E69 E70 K212 K213 | L68-A72 HydrophobicContact CD2-CB 4.17Å; E69-A72 HydrophobicContact CB-CB 4.04Å; E69-A72 WeakPolarHBondContact O-CB 3.5Å; E69-A72 PolarHBondContact O-N 3.01Å; E70-A72 PolarHBondContact O-N 2.85Å; A72-K212 WeakPolarHBondContact O-CA 3.19Å; A72-K213 PolarHBondContact O-N 3.26Å | ||
| 73 | E | 79.9 | Confident | 74.5 | Confident | 103 Ų | 103 | 84.6 Ų | 84.6 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.1 | -179.5 | -177.9 | 174.7 | 153.8 | 0 | 0 | 109.2 | V210 V211 K212 | E73-V210 HydrophobicContact CG-CG1 3.65Å; E73-V210 VanDerWaalsContact OE1-CG1 3.25Å; E73-V210 WeakPolarHBondContact OE1-CG1 3.3Å; E73-V211 WeakPolarHBondContact CA-O 3.42Å; E73-K212 IonicContact OE2-NZ 2.6Å |
| 74 | R | 80.9 | Confident | 77 | Confident | 89 Ų | 89 | 82.8 Ų | 82.8 | 34% | 0.336 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.3 | 174.1 | -169.5 | 168.2 | -176.8 | 102.7 | -8.9 | 109.4 | D65 L68 M76 V210 V211 | D65-R74 IonicContact OD1-NH2 3.52Å; L68-R74 HydrophobicContact CD2-CB 3.85Å; R74-M76 HydrophobicContact CG-CG 4.31Å; R74-V210 WeakPolarHBondContact O-CA 3.18Å; R74-V211 PolarHBondContact N-O 3.4Å; R74-V211 PolarHBondContact O-N 3.36Å |
| 75 | I | 83.7 | Confident | 79.3 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.2 | 179.9 | -56.2 | 177.4 | 0 | 0 | 0 | 106.9 | N179 V208 V209 V210 | I75-N179 PolarHBondContact O-ND2 2.96Å; I75-V208 HydrophobicContact CG2-CB 3.65Å; I75-V208 HydrophobicContact CG2-CG1 4.09Å; I75-V208 HydrophobicContact CG2-CG2 3.74Å; I75-V209 WeakPolarHBondContact CA-O 3.16Å; I75-V210 HydrophobicContact CG1-CG2 4.34Å |
| 76 | M | 85.1 | Confident | 81.5 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 50% | 0.498 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.7 | 179.8 | -59.7 | 176.7 | 72.3 | 0 | 0 | 109.2 | R74 D78 V208 V209 | R74-M76 HydrophobicContact CG-CG 4.31Å; M76-D78 PolarHBondContact O-N 3.34Å; M76-V208 CarbonylContact O-C 3.6Å; M76-V208 VanDerWaalsContact O-CA 3.25Å; M76-V208 WeakPolarHBondContact O-CA 3.44Å; M76-V208 WeakPolarHBondContact O-CB 3.29Å; M76-V209 PolarHBondContact N-O 2.94Å; M76-V209 PolarHBondContact O-N 3.43Å |
| 77 | L | 89.9 | Confident | 83.7 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 16% | 0.162 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130.4 | 173.7 | -179.3 | 62.5 | 0 | 0 | 0 | 109.4 | R82 F87 L180 V181 V206 | L77-R82 HydrophobicContact CD2-CB 3.76Å; L77-R82 HydrophobicContact CD2-CG 4.02Å; L77-R82 HydrophobicContact CG-CB 4.26Å; L77-F87 HydrophobicContact CD2-CD1 4.32Å; L77-F87 HydrophobicContact CD2-CE1 3.47Å; L77-F87 VanDerWaalsContact CD2-CE1 3.47Å; L77-F87 HydrophobicContact CD2-CZ 3.91Å; L77-L180 HydrophobicContact CD2-CD2 4.15Å; L77-V181 HydrophobicContact CB-CG2 4.17Å; L77-V181 HydrophobicContact CD1-CG2 3.86Å; L77-V181 HydrophobicContact CG-CG2 4.47Å; L77-V206 HydrophobicContact CD1-CB 3.77Å; L77-V206 HydrophobicContact CD1-CG1 4.19Å; L77-V206 HydrophobicContact CD1-CG2 4.04Å |
| 78 | D | 88.9 | Confident | 85.5 | Confident | 35 Ų | 35 | 76 Ų | 76 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | trans | -64.6 | 134.2 | 174.2 | 179.2 | -90.4 | 0 | 0 | 0 | 110.4 | M76 T80 S81 R82 Q207 | M76-D78 PolarHBondContact O-N 3.34Å; D78-T80 PolarHBondContact O-N 2.9Å; D78-T80 WeakPolarHBondContact OD1-CA 3.41Å; D78-T80 VanDerWaalsContact OD1-CB 3.26Å; D78-T80 WeakPolarHBondContact OD1-CB 3.35Å; D78-T80 PolarHBondContact OD1-N 2.99Å; D78-T80 PolarHBondContact OD1-OG1 2.83Å; D78-S81 WeakPolarHBondContact O-CA 3.49Å; D78-S81 WeakPolarHBondContact O-CB 3.49Å; D78-S81 PolarHBondContact O-N 3.35Å; D78-S81 PolarHBondContact OD1-N 2.87Å; D78-R82 PolarHBondContact O-N 3.41Å; D78-Q207 HydrophobicContact CB-CB 3.83Å; D78-Q207 WeakPolarHBondContact CB-O 3.25Å; D78-Q207 PolarHBondContact N-O 3.45Å | ||
| 79 | P | 87.8 | Confident | 87 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.4 | -35.5 | -178.2 | -27.5 | 35 | 0 | 0 | 0 | 114.2 | S81 R82 E83 | P79-S81 VanDerWaalsContact C-N 3.29Å; P79-S81 PolarHBondContact O-N 3.21Å; P79-R82 WeakPolarHBondContact O-CB 3.5Å; P79-R82 PolarHBondContact O-N 3.25Å; P79-E83 PolarHBondContact O-N 2.93Å |
| 80 | T | 88 | Confident | 88 | Confident | 104 Ų | 104 | 71 Ų | 71 | 64% | 0.638 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.9 | -31.9 | 178 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | D78 E83 N84 | D78-T80 PolarHBondContact O-N 2.9Å; D78-T80 WeakPolarHBondContact OD1-CA 3.41Å; D78-T80 VanDerWaalsContact OD1-CB 3.26Å; D78-T80 WeakPolarHBondContact OD1-CB 3.35Å; D78-T80 PolarHBondContact OD1-N 2.99Å; D78-T80 PolarHBondContact OD1-OG1 2.83Å; T80-E83 PolarHBondContact O-N 3.5Å; T80-N84 PolarHBondContact O-N 2.94Å |
| 81 | S | 90.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.5 | -32.1 | 174.2 | -64 | 0 | 0 | 0 | 0 | 112.3 | D78 P79 E83 N84 F87 Q207 | D78-S81 WeakPolarHBondContact O-CA 3.49Å; D78-S81 WeakPolarHBondContact O-CB 3.49Å; D78-S81 PolarHBondContact O-N 3.35Å; D78-S81 PolarHBondContact OD1-N 2.87Å; P79-S81 VanDerWaalsContact C-N 3.29Å; P79-S81 PolarHBondContact O-N 3.21Å; S81-E83 PolarHBondContact O-N 3.31Å; S81-N84 WeakPolarHBondContact O-CB 3.42Å; S81-N84 PolarHBondContact O-N 2.82Å; S81-N84 VanDerWaalsContact O-N 3.16Å; S81-F87 WeakPolarHBondContact O-CD1 3.18Å; S81-Q207 WeakPolarHBondContact OG-CB 3.41Å; S81-Q207 PolarHBondContact OG-N 2.99Å |
| 82 | R | 90.4 | Very high | 90.4 | Very high | 99 Ų | 99 | 68.7 Ų | 68.7 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -34.5 | 171.9 | -166.2 | 170.8 | -177.8 | 109.1 | 3.8 | 112 | L77 D78 P79 N84 K88 E113 | L77-R82 HydrophobicContact CD2-CB 3.76Å; L77-R82 HydrophobicContact CD2-CG 4.02Å; L77-R82 HydrophobicContact CG-CB 4.26Å; D78-R82 PolarHBondContact O-N 3.41Å; P79-R82 WeakPolarHBondContact O-CB 3.5Å; P79-R82 PolarHBondContact O-N 3.25Å; R82-N84 VanDerWaalsContact C-N 3.32Å; R82-K88 VanDerWaalsContact O-CE 3.27Å; R82-K88 WeakPolarHBondContact O-CE 3.35Å; R82-E113 IonicContact CZ-OE2 3.76Å; R82-E113 VanDerWaalsContact CZ-OE2 3.22Å; R82-E113 IonicContact NH1-OE1 3.82Å; R82-E113 PolarHBondContact NH1-OE1 3.35Å; R82-E113 IonicContact NH1-OE2 2.98Å; R82-E113 PolarHBondContact NH1-OE2 2.77Å; R82-E113 IonicContact NH2-OE2 3.42Å; R82-E113 PolarHBondContact NH2-OE2 3.29Å |
| 83 | E | 91.3 | Very high | 91.4 | Very high | 119 Ų | 119 | 68.7 Ų | 68.7 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5 | 176.7 | -66.7 | -56 | 121.7 | 0 | 0 | 114.3 | P79 T80 S81 P85 K88 | P79-E83 PolarHBondContact O-N 2.93Å; T80-E83 PolarHBondContact O-N 3.5Å; S81-E83 PolarHBondContact O-N 3.31Å; E83-P85 WeakPolarHBondContact O-CD 3.26Å; E83-K88 VanDerWaalsContact CD-NZ 3.31Å; E83-K88 IonicContact OE1-NZ 2.66Å; E83-K88 PolarHBondContact OE1-NZ 3.08Å; E83-K88 IonicContact OE2-NZ 3.8Å; E83-K88 PolarHBondContact OE2-NZ 3.3Å |
| 84 | N | 93.6 | Very high | 92.3 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | trans | -63.2 | 123.6 | -178.5 | -175.8 | -43.7 | 0 | 0 | 0 | 111.4 | T80 S81 R82 K86 F87 K88 | T80-N84 PolarHBondContact O-N 2.94Å; S81-N84 WeakPolarHBondContact O-CB 3.42Å; S81-N84 PolarHBondContact O-N 2.82Å; S81-N84 VanDerWaalsContact O-N 3.16Å; R82-N84 VanDerWaalsContact C-N 3.32Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.24Å; N84-K86 WeakPolarHBondContact OD1-CB 3.46Å; N84-K86 PolarHBondContact OD1-N 2.89Å; N84-F87 HydrophobicContact CB-CB 4.02Å; N84-F87 PolarHBondContact O-N 3.15Å; N84-F87 VanDerWaalsContact O-N 3.12Å; N84-F87 PolarHBondContact OD1-N 2.96Å; N84-K88 PolarHBondContact O-N 3.05Å | ||
| 85 | P | 95.1 | Very high | 93.2 | Very high | 105 Ų | 105 | 60.7 Ų | 60.7 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.5 | -38.9 | -178.8 | -26.7 | 34.6 | 0 | 0 | 0 | 114.5 | E83 K88 D89 | E83-P85 WeakPolarHBondContact O-CD 3.26Å; P85-K88 PolarHBondContact O-N 2.92Å; P85-D89 WeakPolarHBondContact O-CB 3.49Å; P85-D89 PolarHBondContact O-N 3.34Å |
| 86 | K | 94.6 | Very high | 93.8 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 47% | 0.47 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 178.2 | -74.6 | -169.1 | 169.4 | -164.3 | 0 | 112 | N84 D89 L90 E202 V204 | N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.24Å; N84-K86 WeakPolarHBondContact OD1-CB 3.46Å; N84-K86 PolarHBondContact OD1-N 2.89Å; K86-D89 PolarHBondContact O-N 3.09Å; K86-L90 PolarHBondContact O-N 3.46Å; K86-E202 PolarHBondContact NZ-O 3.37Å; K86-V204 HydrophobicContact CB-CG2 4.29Å |
| 87 | F | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 176.9 | 179 | -115 | 0 | 0 | 0 | 111.1 | L77 S81 N84 D89 L90 V91 L180 V184 V204 V206 L227 | L77-F87 HydrophobicContact CD2-CD1 4.32Å; L77-F87 HydrophobicContact CD2-CE1 3.47Å; L77-F87 VanDerWaalsContact CD2-CE1 3.47Å; L77-F87 HydrophobicContact CD2-CZ 3.91Å; S81-F87 WeakPolarHBondContact O-CD1 3.18Å; N84-F87 HydrophobicContact CB-CB 4.02Å; N84-F87 PolarHBondContact O-N 3.15Å; N84-F87 VanDerWaalsContact O-N 3.12Å; N84-F87 PolarHBondContact OD1-N 2.96Å; F87-D89 VanDerWaalsContact C-N 3.32Å; F87-D89 PolarHBondContact O-N 3.23Å; F87-L90 WeakPolarHBondContact O-CB 3.49Å; F87-L90 PolarHBondContact O-N 2.96Å; F87-V91 HydrophobicContact CD2-CG2 4.47Å; F87-V91 HydrophobicContact CE1-CG2 4.11Å; F87-V91 HydrophobicContact CE2-CG2 4.04Å; F87-V91 HydrophobicContact CZ-CG2 3.85Å; F87-V91 WeakPolarHBondContact O-CG2 3.35Å; F87-V91 PolarHBondContact O-N 2.93Å; F87-L180 HydrophobicContact CE1-CD2 3.77Å; F87-L180 HydrophobicContact CZ-CD2 3.69Å; F87-L180 HydrophobicContact CZ-CG 3.96Å; F87-V184 HydrophobicContact CE2-CG2 4.28Å; F87-V184 HydrophobicContact CZ-CG2 4.49Å; F87-V204 HydrophobicContact CB-CG1 4.21Å; F87-V204 HydrophobicContact CD2-CG1 4.21Å; F87-V206 HydrophobicContact CB-CG1 4.13Å; F87-V206 HydrophobicContact CD1-CG1 4.4Å; F87-V206 HydrophobicContact CD2-CG1 3.57Å; F87-V206 HydrophobicContact CE2-CG1 4.06Å; F87-V206 HydrophobicContact CG-CG1 3.76Å; F87-L227 HydrophobicContact CD2-CD1 3.46Å; F87-L227 VanDerWaalsContact CD2-CD1 3.46Å; F87-L227 HydrophobicContact CE2-CD1 3.38Å |
| 88 | K | 96.8 | Very high | 94.8 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 173.2 | -73 | -178.9 | 171.9 | 175.8 | 0 | 112.4 | R82 E83 N84 P85 V91 K92 | R82-K88 VanDerWaalsContact O-CE 3.27Å; R82-K88 WeakPolarHBondContact O-CE 3.35Å; E83-K88 VanDerWaalsContact CD-NZ 3.31Å; E83-K88 IonicContact OE1-NZ 2.66Å; E83-K88 PolarHBondContact OE1-NZ 3.08Å; E83-K88 IonicContact OE2-NZ 3.8Å; E83-K88 PolarHBondContact OE2-NZ 3.3Å; N84-K88 PolarHBondContact O-N 3.05Å; P85-K88 PolarHBondContact O-N 2.92Å; K88-V91 PolarHBondContact O-N 3Å; K88-K92 WeakPolarHBondContact O-CB 3.21Å; K88-K92 PolarHBondContact O-N 3.46Å |
| 89 | D | 96.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.2 | -170.1 | 46.6 | 0 | 0 | 0 | 111.6 | P85 K86 F87 V91 K92 V93 P201 | P85-D89 WeakPolarHBondContact O-CB 3.49Å; P85-D89 PolarHBondContact O-N 3.34Å; K86-D89 PolarHBondContact O-N 3.09Å; F87-D89 VanDerWaalsContact C-N 3.32Å; F87-D89 PolarHBondContact O-N 3.23Å; D89-V91 PolarHBondContact O-N 2.8Å; D89-K92 WeakPolarHBondContact O-CB 3.44Å; D89-K92 PolarHBondContact O-N 3.48Å; D89-V93 WeakPolarHBondContact O-CG2 3.08Å; D89-V93 PolarHBondContact O-N 3.1Å; D89-P201 HydrophobicContact CB-CG 4.3Å; D89-P201 VanDerWaalsContact OD2-CG 3.27Å; D89-P201 WeakPolarHBondContact OD2-CG 3.17Å |
| 90 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 174.5 | 174.2 | 63.2 | 0 | 0 | 0 | 111.9 | K86 F87 K92 V93 L94 V184 V188 L200 P201 V204 L227 T228 | K86-L90 PolarHBondContact O-N 3.46Å; F87-L90 WeakPolarHBondContact O-CB 3.49Å; F87-L90 PolarHBondContact O-N 2.96Å; L90-K92 VanDerWaalsContact C-N 3.29Å; L90-K92 PolarHBondContact O-N 2.8Å; L90-V93 PolarHBondContact O-N 2.96Å; L90-L94 HydrophobicContact CD1-CD1 4.16Å; L90-L94 HydrophobicContact CD1-CG 4.27Å; L90-L94 HydrophobicContact CG-CD1 4.22Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.41Å; L90-L94 PolarHBondContact O-N 3.16Å; L90-V184 HydrophobicContact CD2-CG1 3.78Å; L90-V184 HydrophobicContact CG-CG1 4.33Å; L90-V188 HydrophobicContact CD1-CG2 4.16Å; L90-L200 HydrophobicContact CD1-CB 4.44Å; L90-L200 HydrophobicContact CD1-CD2 3.91Å; L90-P201 HydrophobicContact CB-CG 4.23Å; L90-V204 HydrophobicContact CB-CG2 4.36Å; L90-V204 HydrophobicContact CD2-CB 4.11Å; L90-V204 HydrophobicContact CD2-CG1 3.92Å; L90-V204 HydrophobicContact CD2-CG2 4.26Å; L90-L227 HydrophobicContact CD2-CB 4.05Å; L90-L227 HydrophobicContact CD2-CD1 4.08Å; L90-T228 HydrophobicContact CD1-CG2 3.97Å; L90-T228 HydrophobicContact CD2-CG2 3.93Å |
| 91 | V | 98.1 | Very high | 96 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | F87 K88 D89 L94 I95 L112 V184 | F87-V91 HydrophobicContact CD2-CG2 4.47Å; F87-V91 HydrophobicContact CE1-CG2 4.11Å; F87-V91 HydrophobicContact CE2-CG2 4.04Å; F87-V91 HydrophobicContact CZ-CG2 3.85Å; F87-V91 WeakPolarHBondContact O-CG2 3.35Å; F87-V91 PolarHBondContact O-N 2.93Å; K88-V91 PolarHBondContact O-N 3Å; D89-V91 PolarHBondContact O-N 2.8Å; V91-L94 PolarHBondContact O-N 3.48Å; V91-I95 HydrophobicContact CG1-CD1 3.83Å; V91-I95 WeakPolarHBondContact O-CG1 3.39Å; V91-I95 PolarHBondContact O-N 3.44Å; V91-L112 HydrophobicContact CG1-CD1 3.91Å; V91-L112 HydrophobicContact CG1-CG 4.32Å; V91-V184 HydrophobicContact CG2-CG2 4.11Å |
| 92 | K | 97.8 | Very high | 96.3 | Very high | 124 Ų | 124 | 53 Ų | 53 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 177.4 | -178.8 | -179.6 | 176.1 | 179 | 0 | 112 | K88 D89 L90 L94 I95 D96 | K88-K92 WeakPolarHBondContact O-CB 3.21Å; K88-K92 PolarHBondContact O-N 3.46Å; D89-K92 WeakPolarHBondContact O-CB 3.44Å; D89-K92 PolarHBondContact O-N 3.48Å; L90-K92 VanDerWaalsContact C-N 3.29Å; L90-K92 PolarHBondContact O-N 2.8Å; K92-L94 PolarHBondContact O-N 3.22Å; K92-I95 PolarHBondContact O-N 3.36Å; K92-I95 VanDerWaalsContact O-N 3.1Å; K92-D96 WeakPolarHBondContact CE-OD2 3.44Å; K92-D96 WeakPolarHBondContact O-CB 3.35Å; K92-D96 PolarHBondContact O-N 3.27Å |
| 93 | V | 97.7 | Very high | 96.5 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 178.5 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | D89 L90 W97 I198 L200 | D89-V93 WeakPolarHBondContact O-CG2 3.08Å; D89-V93 PolarHBondContact O-N 3.1Å; L90-V93 PolarHBondContact O-N 2.96Å; V93-W97 VanDerWaalsContact O-CB 3.27Å; V93-W97 WeakPolarHBondContact O-CB 3.45Å; V93-W97 PolarHBondContact O-N 3.43Å; V93-I198 HydrophobicContact CG1-CB 4.34Å; V93-I198 HydrophobicContact CG1-CD1 4.18Å; V93-L200 HydrophobicContact CG1-CD2 4.1Å |
| 94 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 176.5 | -67.9 | 172.9 | 0 | 0 | 0 | 112.4 | L90 V91 K92 W97 I98 L112 V184 L187 V188 L200 | L90-L94 HydrophobicContact CD1-CD1 4.16Å; L90-L94 HydrophobicContact CD1-CG 4.27Å; L90-L94 HydrophobicContact CG-CD1 4.22Å; L90-L94 VanDerWaalsContact O-CG 3.31Å; L90-L94 WeakPolarHBondContact O-CG 3.41Å; L90-L94 PolarHBondContact O-N 3.16Å; V91-L94 PolarHBondContact O-N 3.48Å; K92-L94 PolarHBondContact O-N 3.22Å; L94-W97 HydrophobicContact CD2-CE3 4.17Å; L94-I98 WeakPolarHBondContact O-CD1 3.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.35Å; L94-L112 HydrophobicContact CB-CD1 4.49Å; L94-V184 HydrophobicContact CD1-CB 4.48Å; L94-V184 HydrophobicContact CD1-CG1 3.98Å; L94-V184 HydrophobicContact CD1-CG2 4.33Å; L94-L187 HydrophobicContact CD1-CB 4.07Å; L94-L187 HydrophobicContact CD1-CD1 4.48Å; L94-L187 HydrophobicContact CD2-CB 4.09Å; L94-V188 HydrophobicContact CD1-CG2 4.17Å; L94-V188 HydrophobicContact CD2-CG2 4.5Å; L94-L200 HydrophobicContact CD2-CD2 3.85Å; L94-L200 HydrophobicContact CG-CD2 4.49Å |
| 95 | I | 98.4 | Very high | 96.4 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -49.7 | 174.9 | -70.8 | 167.9 | 0 | 0 | 0 | 110.4 | V91 K92 W97 I98 N99 V109 L112 | V91-I95 HydrophobicContact CG1-CD1 3.83Å; V91-I95 WeakPolarHBondContact O-CG1 3.39Å; V91-I95 PolarHBondContact O-N 3.44Å; K92-I95 PolarHBondContact O-N 3.36Å; K92-I95 VanDerWaalsContact O-N 3.1Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 PolarHBondContact O-N 3.31Å; I95-I98 PolarHBondContact O-N 3.44Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.27Å; I95-N99 WeakPolarHBondContact O-CB 3.38Å; I95-N99 VanDerWaalsContact O-CG 3.3Å; I95-N99 PolarHBondContact O-N 3.06Å; I95-N99 PolarHBondContact O-ND2 3.37Å; I95-V109 HydrophobicContact CG1-CG1 4.23Å; I95-V109 HydrophobicContact CG2-CG1 4.41Å; I95-V109 WeakPolarHBondContact CG2-O 3.35Å; I95-L112 HydrophobicContact CD1-CD2 4.5Å; I95-L112 HydrophobicContact CD1-CG 4.18Å; I95-L112 HydrophobicContact CG1-CD1 4.42Å; I95-L112 HydrophobicContact CG1-CD2 3.63Å; I95-L112 HydrophobicContact CG1-CG 3.79Å |
| 96 | D | 97.4 | Very high | 96.4 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 179.9 | -69.6 | -17.5 | 0 | 0 | 0 | 110.2 | K92 N99 S100 | K92-D96 WeakPolarHBondContact CE-OD2 3.44Å; K92-D96 WeakPolarHBondContact O-CB 3.35Å; K92-D96 PolarHBondContact O-N 3.27Å; D96-N99 PolarHBondContact O-N 3.05Å; D96-S100 PolarHBondContact O-N 3.41Å; D96-S100 PolarHBondContact O-OG 2.99Å |
| 97 | W | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -54.3 | 174.1 | 174.5 | 46.7 | 0 | 0 | 0 | 113.4 | V93 L94 I95 N99 S100 E101 L125 L129 L187 L190 A191 A196 I198 | V93-W97 VanDerWaalsContact O-CB 3.27Å; V93-W97 WeakPolarHBondContact O-CB 3.45Å; V93-W97 PolarHBondContact O-N 3.43Å; L94-W97 HydrophobicContact CD2-CE3 4.17Å; I95-W97 VanDerWaalsContact C-N 3.27Å; I95-W97 PolarHBondContact O-N 3.31Å; W97-N99 PolarHBondContact O-N 3.09Å; W97-S100 PolarHBondContact O-N 3.46Å; W97-S100 VanDerWaalsContact O-N 3.12Å; W97-E101 HydrophobicContact CG-CG 4.45Å; W97-E101 PolarHBondContact NE1-OE1 3.19Å; W97-E101 VanDerWaalsContact NE1-OE1 3.13Å; W97-E101 WeakPolarHBondContact O-CG 3.44Å; W97-E101 PolarHBondContact O-N 2.59Å; W97-L125 HydrophobicContact CH2-CD1 4.24Å; W97-L125 HydrophobicContact CH2-CD2 4.01Å; W97-L125 HydrophobicContact CH2-CG 4.45Å; W97-L125 HydrophobicContact CZ2-CD1 4.24Å; W97-L125 HydrophobicContact CZ3-CD2 4.03Å; W97-L129 HydrophobicContact CH2-CD1 3.87Å; W97-L129 HydrophobicContact CZ2-CD1 3.76Å; W97-L129 HydrophobicContact CZ2-CD2 4.05Å; W97-L187 HydrophobicContact CZ3-CD2 4.43Å; W97-L190 HydrophobicContact CH2-CB 4.13Å; W97-A191 HydrophobicContact CD2-CB 4.47Å; W97-A191 HydrophobicContact CE3-CB 4.13Å; W97-A191 HydrophobicContact CH2-CB 3.76Å; W97-A191 HydrophobicContact CZ2-CB 4.13Å; W97-A191 HydrophobicContact CZ3-CB 3.76Å; W97-A196 HydrophobicContact CD2-CB 4.35Å; W97-A196 HydrophobicContact CZ2-CB 3.78Å; W97-I198 HydrophobicContact CB-CD1 3.74Å; W97-I198 HydrophobicContact CB-CG2 3.87Å; W97-I198 HydrophobicContact CD2-CD1 3.84Å; W97-I198 HydrophobicContact CE3-CD1 4.21Å; W97-I198 HydrophobicContact CG-CD1 3.6Å; W97-I198 HydrophobicContact CG-CG1 4.48Å; W97-I198 HydrophobicContact CG-CG2 3.91Å |
| 98 | I | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | -177.9 | -65.4 | 164.2 | 0 | 0 | 0 | 110.3 | L94 I95 E101 L102 V109 L112 V121 L125 L187 | L94-I98 WeakPolarHBondContact O-CD1 3.48Å; L94-I98 WeakPolarHBondContact O-CG1 3.31Å; L94-I98 PolarHBondContact O-N 3.35Å; I95-I98 PolarHBondContact O-N 3.44Å; I98-E101 PolarHBondContact O-N 3.31Å; I98-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CG 4.36Å; I98-L102 WeakPolarHBondContact O-CB 3.47Å; I98-L102 WeakPolarHBondContact O-CG 3.45Å; I98-L102 PolarHBondContact O-N 2.83Å; I98-V109 HydrophobicContact CB-CG2 4.48Å; I98-V109 HydrophobicContact CG2-CG2 3.69Å; I98-L112 HydrophobicContact CD1-CD2 3.99Å; I98-V121 HydrophobicContact CG2-CG1 3.8Å; I98-L125 HydrophobicContact CD1-CD2 4.48Å; I98-L125 HydrophobicContact CG1-CD1 4.45Å; I98-L125 HydrophobicContact CG1-CD2 3.99Å; I98-L187 HydrophobicContact CD1-CD1 3.78Å; I98-L187 HydrophobicContact CD1-CD2 3.7Å; I98-L187 HydrophobicContact CD1-CG 4.36Å; I98-L187 HydrophobicContact CG1-CD2 4.38Å |
| 99 | N | 97.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 177.3 | -75 | -26.9 | 0 | 0 | 0 | 112.3 | I95 D96 W97 E103 I108 V109 | I95-N99 WeakPolarHBondContact CG2-ND2 3.27Å; I95-N99 WeakPolarHBondContact O-CB 3.38Å; I95-N99 VanDerWaalsContact O-CG 3.3Å; I95-N99 PolarHBondContact O-N 3.06Å; I95-N99 PolarHBondContact O-ND2 3.37Å; D96-N99 PolarHBondContact O-N 3.05Å; W97-N99 PolarHBondContact O-N 3.09Å; N99-E103 PolarHBondContact O-N 2.95Å; N99-E103 VanDerWaalsContact O-N 3.13Å; N99-I108 WeakPolarHBondContact OD1-CA 3.3Å; N99-V109 PolarHBondContact ND2-O 3.09Å; N99-V109 PolarHBondContact OD1-N 3.11Å; N99-V109 PolarHBondContact OD1-O 2.81Å |
| 100 | S | 95.8 | Very high | 96.5 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 174.3 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | D96 W97 L102 | D96-S100 PolarHBondContact O-N 3.41Å; D96-S100 PolarHBondContact O-OG 2.99Å; W97-S100 PolarHBondContact O-N 3.46Å; W97-S100 VanDerWaalsContact O-N 3.12Å; S100-L102 VanDerWaalsContact C-N 3.34Å; S100-L102 PolarHBondContact O-N 3.45Å |
| 101 | E | 95.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.4 | -31.5 | 179.8 | -68.4 | -65.8 | 164 | 0 | 0 | 113.2 | W97 I98 L125 | W97-E101 HydrophobicContact CG-CG 4.45Å; W97-E101 PolarHBondContact NE1-OE1 3.19Å; W97-E101 VanDerWaalsContact NE1-OE1 3.13Å; W97-E101 WeakPolarHBondContact O-CG 3.44Å; W97-E101 PolarHBondContact O-N 2.59Å; I98-E101 PolarHBondContact O-N 3.31Å; E101-L125 HydrophobicContact CB-CD1 4.04Å; E101-L125 HydrophobicContact CG-CD1 4.31Å |
| 102 | L | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 16.7 | -173.6 | -58 | -177.8 | 0 | 0 | 0 | 114.2 | I98 S100 E104 E105 R106 I107 V121 K124 L125 K128 | I98-L102 HydrophobicContact CG2-CD1 3.78Å; I98-L102 HydrophobicContact CG2-CG 4.36Å; I98-L102 WeakPolarHBondContact O-CB 3.47Å; I98-L102 WeakPolarHBondContact O-CG 3.45Å; I98-L102 PolarHBondContact O-N 2.83Å; S100-L102 VanDerWaalsContact C-N 3.34Å; S100-L102 PolarHBondContact O-N 3.45Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.14Å; L102-E105 WeakPolarHBondContact CA-OE2 3.5Å; L102-E105 PolarHBondContact O-N 3.15Å; L102-R106 PolarHBondContact O-N 2.99Å; L102-I107 HydrophobicContact CB-CB 3.96Å; L102-I107 HydrophobicContact CB-CG2 4.48Å; L102-I107 HydrophobicContact CD1-CB 4.3Å; L102-I107 HydrophobicContact CD1-CD1 4.12Å; L102-I107 HydrophobicContact CD1-CG2 4.07Å; L102-I107 PolarHBondContact O-N 3.42Å; L102-V121 HydrophobicContact CD1-CG1 4.37Å; L102-K124 HydrophobicContact CD1-CB 4.17Å; L102-K124 HydrophobicContact CD2-CB 4.08Å; L102-L125 HydrophobicContact CD1-CB 4.3Å; L102-K128 HydrophobicContact CD2-CB 4.27Å |
| 103 | E | 94.1 | Very high | 96.5 | Very high | 148 Ų | 148 | 63.1 Ų | 63.1 | 69% | 0.692 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -41.7 | 179.5 | -176.3 | 176.8 | -155.7 | 0 | 0 | 111.5 | N99 E105 R106 | N99-E103 PolarHBondContact O-N 2.95Å; N99-E103 VanDerWaalsContact O-N 3.13Å; E103-E105 VanDerWaalsContact C-N 3.28Å; E103-E105 PolarHBondContact O-N 3.48Å; E103-R106 PolarHBondContact O-N 3.3Å |
| 104 | E | 92.1 | Very high | 96.5 | Very high | 152 Ų | 152 | 66.4 Ų | 66.4 | 71% | 0.71 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -34.3 | 179.8 | -63.7 | -176.1 | 153.6 | 0 | 0 | 112 | L102 R106 K128 | L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.14Å; E104-R106 PolarHBondContact O-N 2.98Å; E104-K128 IonicContact OE2-NZ 2.75Å; E104-K128 PolarHBondContact OE2-NZ 3.08Å |
| 105 | E | 92.4 | Very high | 96.4 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.4 | 175.4 | -68.4 | 81.5 | 175.6 | 0 | 0 | 113.1 | L102 E103 I107 | L102-E105 WeakPolarHBondContact CA-OE2 3.5Å; L102-E105 PolarHBondContact O-N 3.15Å; E103-E105 VanDerWaalsContact C-N 3.28Å; E103-E105 PolarHBondContact O-N 3.48Å; E105-I107 HydrophobicContact CB-CD1 3.89Å; E105-I107 HydrophobicContact CB-CG1 4.08Å; E105-I107 PolarHBondContact O-N 3.48Å |
| 106 | R | 94.6 | Very high | 96.4 | Very high | 225 Ų | 225 | 67.7 Ų | 67.7 | 85% | 0.849 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 35 | -176.8 | -54.9 | -176.3 | 174.3 | 112.4 | 1.1 | 113.3 | L102 E103 E104 | L102-R106 PolarHBondContact O-N 2.99Å; E103-R106 PolarHBondContact O-N 3.3Å; E104-R106 PolarHBondContact O-N 2.98Å |
| 107 | I | 94.7 | Very high | 96.3 | Very high | 34 Ų | 34 | 66.8 Ų | 66.8 | 17% | 0.174 | 32% | 0.316 | C | S | . | . | trans | -94.7 | 131.8 | 175.9 | -64.6 | 170.4 | 0 | 0 | 0 | 108 | L102 E105 V109 V121 K124 | L102-I107 HydrophobicContact CB-CB 3.96Å; L102-I107 HydrophobicContact CB-CG2 4.48Å; L102-I107 HydrophobicContact CD1-CB 4.3Å; L102-I107 HydrophobicContact CD1-CD1 4.12Å; L102-I107 HydrophobicContact CD1-CG2 4.07Å; L102-I107 PolarHBondContact O-N 3.42Å; E105-I107 HydrophobicContact CB-CD1 3.89Å; E105-I107 HydrophobicContact CB-CG1 4.08Å; E105-I107 PolarHBondContact O-N 3.48Å; I107-V109 HydrophobicContact CG2-CG2 4.43Å; I107-V121 HydrophobicContact CG2-CG2 4.11Å; I107-K124 HydrophobicContact CD1-CB 3.74Å; I107-K124 HydrophobicContact CD1-CG 3.66Å | ||
| 108 | I | 96.8 | Very high | 96.2 | Very high | 121 Ų | 121 | 68.3 Ų | 68.3 | 62% | 0.621 | 32% | 0.324 | S | S | * | . | trans | -127.3 | 114.9 | 177.4 | -57.2 | 174.4 | 0 | 0 | 0 | 108.1 | N99 K110 | N99-I108 WeakPolarHBondContact OD1-CA 3.3Å; I108-K110 HydrophobicContact CG2-CG 4.38Å | ||
| 109 | V | 97.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | trans | -92 | 132.9 | 172.5 | 179.6 | 0 | 0 | 0 | 0 | 109 | I95 I98 N99 I107 L112 D115 V121 | I95-V109 HydrophobicContact CG1-CG1 4.23Å; I95-V109 HydrophobicContact CG2-CG1 4.41Å; I95-V109 WeakPolarHBondContact CG2-O 3.35Å; I98-V109 HydrophobicContact CB-CG2 4.48Å; I98-V109 HydrophobicContact CG2-CG2 3.69Å; N99-V109 PolarHBondContact ND2-O 3.09Å; N99-V109 PolarHBondContact OD1-N 3.11Å; N99-V109 PolarHBondContact OD1-O 2.81Å; I107-V109 HydrophobicContact CG2-CG2 4.43Å; V109-L112 HydrophobicContact CG1-CD2 3.92Å; V109-D115 WeakPolarHBondContact CA-OD2 3.32Å; V109-D115 HydrophobicContact CG1-CB 4.03Å; V109-D115 HydrophobicContact CG2-CB 4.41Å; V109-V121 HydrophobicContact CG2-CG1 3.69Å; V109-V121 HydrophobicContact CG2-CG2 4.01Å | ||
| 110 | K | 97.4 | Very high | 95.9 | Very high | 171 Ų | 171 | 68.7 Ų | 68.7 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -121.8 | -33.6 | 175.8 | -65.2 | -178.9 | -178.9 | 176.2 | 0 | 111.8 | I108 D115 | I108-K110 HydrophobicContact CG2-CG 4.38Å; K110-D115 PolarHBondContact N-OD2 3.39Å |
| 111 | D | 98 | Very high | 96 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | trans | -139.6 | 120.3 | -179.6 | -173 | -64.5 | 0 | 0 | 0 | 109.4 | E113 E114 D115 | D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.85Å; D111-E113 WeakPolarHBondContact OD1-CA 2.82Å; D111-E113 VanDerWaalsContact OD1-CB 3.3Å; D111-E113 WeakPolarHBondContact OD1-CB 3.09Å; D111-E113 PolarHBondContact OD1-N 2.97Å; D111-E114 HydrophobicContact CB-CB 4.16Å; D111-E114 HydrophobicContact CB-CG 4.32Å; D111-E114 PolarHBondContact O-N 3.5Å; D111-E114 PolarHBondContact OD1-N 3.26Å; D111-E114 VanDerWaalsContact OD1-N 3.13Å; D111-D115 PolarHBondContact N-OD2 3.48Å; D111-D115 VanDerWaalsContact O-CB 3.22Å; D111-D115 WeakPolarHBondContact O-CB 3.42Å; D111-D115 VanDerWaalsContact O-CG 3.28Å; D111-D115 PolarHBondContact O-N 3.35Å; D111-D115 VanDerWaalsContact O-OD2 3.05Å | ||
| 112 | L | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -34.2 | -176.1 | -64.5 | -177.8 | 0 | 0 | 0 | 112.6 | V91 L94 I95 I98 V109 C116 L180 I183 V184 L187 | V91-L112 HydrophobicContact CG1-CD1 3.91Å; V91-L112 HydrophobicContact CG1-CG 4.32Å; L94-L112 HydrophobicContact CB-CD1 4.49Å; I95-L112 HydrophobicContact CD1-CD2 4.5Å; I95-L112 HydrophobicContact CD1-CG 4.18Å; I95-L112 HydrophobicContact CG1-CD1 4.42Å; I95-L112 HydrophobicContact CG1-CD2 3.63Å; I95-L112 HydrophobicContact CG1-CG 3.79Å; I98-L112 HydrophobicContact CD1-CD2 3.99Å; V109-L112 HydrophobicContact CG1-CD2 3.92Å; L112-C116 WeakPolarHBondContact O-CB 3.27Å; L112-C116 PolarHBondContact O-N 2.89Å; L112-L180 HydrophobicContact CB-CD1 3.87Å; L112-L180 HydrophobicContact CD1-CD1 4.19Å; L112-I183 HydrophobicContact CB-CG2 4.08Å; L112-V184 HydrophobicContact CD1-CG2 4.14Å; L112-L187 HydrophobicContact CD1-CD1 3.94Å; L112-L187 HydrophobicContact CD2-CD1 3.82Å; L112-L187 HydrophobicContact CG-CD1 4.46Å |
| 113 | E | 96.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 179.3 | -69.7 | 174.3 | 120 | 0 | 0 | 110.6 | R82 D111 Y117 K178 L180 | R82-E113 IonicContact CZ-OE2 3.76Å; R82-E113 VanDerWaalsContact CZ-OE2 3.22Å; R82-E113 IonicContact NH1-OE1 3.82Å; R82-E113 PolarHBondContact NH1-OE1 3.35Å; R82-E113 IonicContact NH1-OE2 2.98Å; R82-E113 PolarHBondContact NH1-OE2 2.77Å; R82-E113 IonicContact NH2-OE2 3.42Å; R82-E113 PolarHBondContact NH2-OE2 3.29Å; D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.85Å; D111-E113 WeakPolarHBondContact OD1-CA 2.82Å; D111-E113 VanDerWaalsContact OD1-CB 3.3Å; D111-E113 WeakPolarHBondContact OD1-CB 3.09Å; D111-E113 PolarHBondContact OD1-N 2.97Å; E113-Y117 WeakPolarHBondContact O-CB 3.41Å; E113-K178 HydrophobicContact CB-CB 4.08Å; E113-K178 HydrophobicContact CG-CB 4.49Å; E113-K178 WeakPolarHBondContact CG-O 3.28Å; E113-K178 WeakPolarHBondContact O-CG 3.49Å; E113-L180 HydrophobicContact CG-CB 3.71Å; E113-L180 HydrophobicContact CG-CD1 4.05Å; E113-L180 HydrophobicContact CG-CG 4.32Å |
| 114 | E | 97.2 | Very high | 96.3 | Very high | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -81.6 | -28.9 | -177.5 | -62.2 | -58.1 | 131.1 | 0 | 0 | 113.9 | D111 Y117 K178 | D111-E114 HydrophobicContact CB-CB 4.16Å; D111-E114 HydrophobicContact CB-CG 4.32Å; D111-E114 PolarHBondContact O-N 3.5Å; D111-E114 PolarHBondContact OD1-N 3.26Å; D111-E114 VanDerWaalsContact OD1-N 3.13Å; E114-Y117 WeakPolarHBondContact O-CD1 3.37Å; E114-Y117 WeakPolarHBondContact O-CE1 3.31Å; E114-K178 WeakPolarHBondContact OE1-CD 3.29Å; E114-K178 WeakPolarHBondContact OE1-CE 3.1Å; E114-K178 IonicContact OE1-NZ 2.73Å; E114-K178 PolarHBondContact OE1-NZ 3.3Å; E114-K178 IonicContact OE2-NZ 3.48Å; E114-K178 PolarHBondContact OE2-NZ 3.42Å |
| 115 | D | 97.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -98.6 | -21.4 | -173.3 | -61.6 | -44.4 | 0 | 0 | 0 | 113.2 | V109 K110 D111 V121 | V109-D115 WeakPolarHBondContact CA-OD2 3.32Å; V109-D115 HydrophobicContact CG1-CB 4.03Å; V109-D115 HydrophobicContact CG2-CB 4.41Å; K110-D115 PolarHBondContact N-OD2 3.39Å; D111-D115 PolarHBondContact N-OD2 3.48Å; D111-D115 VanDerWaalsContact O-CB 3.22Å; D111-D115 WeakPolarHBondContact O-CB 3.42Å; D111-D115 VanDerWaalsContact O-CG 3.28Å; D111-D115 PolarHBondContact O-N 3.35Å; D111-D115 VanDerWaalsContact O-OD2 3.05Å; D115-V121 HydrophobicContact CB-CG2 4.33Å; D115-V121 WeakPolarHBondContact O-CG2 3.41Å |
| 116 | C | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -99.1 | -17.8 | -178.1 | -61.2 | 0 | 0 | 0 | 0 | 114.8 | L112 D118 G119 L122 I183 | L112-C116 WeakPolarHBondContact O-CB 3.27Å; L112-C116 PolarHBondContact O-N 2.89Å; C116-D118 VanDerWaalsContact C-N 3.28Å; C116-D118 PolarHBondContact O-N 3.5Å; C116-G119 PolarHBondContact O-N 3.48Å; C116-G119 VanDerWaalsContact O-N 3.13Å; C116-L122 HydrophobicContact CB-CD1 4.33Å; C116-L122 HydrophobicContact CB-CD2 4.27Å; C116-L122 HydrophobicContact CB-CG 4.12Å; C116-I183 HydrophobicContact CB-CD1 4.43Å; C116-I183 HydrophobicContact CB-CG2 4.05Å |
| 117 | Y | 96.6 | Very high | 96.9 | Very high | 60 Ų | 60 | 37.3 Ų | 37.3 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.4 | -167.5 | 82.4 | -78.3 | 0 | 0 | 0 | 114.7 | E113 E114 G119 L150 I175 H176 K178 | E113-Y117 WeakPolarHBondContact O-CB 3.41Å; E114-Y117 WeakPolarHBondContact O-CD1 3.37Å; E114-Y117 WeakPolarHBondContact O-CE1 3.31Å; Y117-G119 VanDerWaalsContact C-N 3.35Å; Y117-L150 VanDerWaalsContact O-CD1 3.27Å; Y117-L150 WeakPolarHBondContact O-CD1 3.38Å; Y117-I175 WeakPolarHBondContact CB-O 3.3Å; Y117-H176 WeakPolarHBondContact O-CA 3.45Å; Y117-K178 HydrophobicContact CG-CG 4.16Å |
| 118 | D | 94.2 | Very high | 96.9 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 20% | 0.198 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.5 | -179.3 | 72.3 | 0.5 | 0 | 0 | 0 | 112.9 | C116 Q120 Q146 K149 | C116-D118 VanDerWaalsContact C-N 3.28Å; C116-D118 PolarHBondContact O-N 3.5Å; D118-Q120 VanDerWaalsContact OD1-CB 3.28Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.37Å; D118-Q120 PolarHBondContact OD1-N 3.46Å; D118-Q146 HydrophobicContact CB-CG 3.98Å; D118-K149 WeakPolarHBondContact O-CD 3.44Å |
| 119 | G | 95.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 85 | -0.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C116 Y117 Q123 L150 | C116-G119 PolarHBondContact O-N 3.48Å; C116-G119 VanDerWaalsContact O-N 3.13Å; Y117-G119 VanDerWaalsContact C-N 3.35Å; G119-Q123 VanDerWaalsContact O-CB 3.29Å; G119-Q123 WeakPolarHBondContact O-CB 3.43Å; G119-Q123 PolarHBondContact O-N 3.46Å; G119-L150 VanDerWaalsContact CA-CD2 3.42Å |
| 120 | Q | 95.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.7 | -52 | -177.5 | -179.1 | 60.3 | 29 | 0 | 0 | 112.5 | D118 L122 Q123 K124 E138 | D118-Q120 VanDerWaalsContact OD1-CB 3.28Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.37Å; D118-Q120 PolarHBondContact OD1-N 3.46Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.02Å; Q120-Q123 WeakPolarHBondContact O-CB 3.48Å; Q120-Q123 PolarHBondContact O-N 3.49Å; Q120-K124 PolarHBondContact O-N 2.69Å; Q120-K124 VanDerWaalsContact O-N 3.12Å; Q120-E138 PolarHBondContact OE1-O 2.93Å |
| 121 | V | 97.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | I98 L102 I107 V109 D115 Q123 K124 L125 | I98-V121 HydrophobicContact CG2-CG1 3.8Å; L102-V121 HydrophobicContact CD1-CG1 4.37Å; I107-V121 HydrophobicContact CG2-CG2 4.11Å; V109-V121 HydrophobicContact CG2-CG1 3.69Å; V109-V121 HydrophobicContact CG2-CG2 4.01Å; D115-V121 HydrophobicContact CB-CG2 4.33Å; D115-V121 WeakPolarHBondContact O-CG2 3.41Å; V121-Q123 VanDerWaalsContact C-N 3.34Å; V121-Q123 PolarHBondContact O-N 3.42Å; V121-K124 PolarHBondContact O-N 2.89Å; V121-L125 WeakPolarHBondContact O-CB 3.38Å; V121-L125 PolarHBondContact O-N 3.28Å |
| 122 | L | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -39.8 | 179.3 | -61.6 | 177.6 | 0 | 0 | 0 | 112.5 | C116 Q120 F126 L150 V153 I175 L186 L187 | C116-L122 HydrophobicContact CB-CD1 4.33Å; C116-L122 HydrophobicContact CB-CD2 4.27Å; C116-L122 HydrophobicContact CB-CG 4.12Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.02Å; L122-F126 WeakPolarHBondContact O-CB 3.43Å; L122-F126 PolarHBondContact O-N 2.79Å; L122-L150 HydrophobicContact CD1-CD2 4.13Å; L122-V153 HydrophobicContact CB-CG1 4.07Å; L122-I175 HydrophobicContact CD1-CG2 3.81Å; L122-L186 HydrophobicContact CD1-CD2 3.7Å; L122-L186 HydrophobicContact CD2-CD2 3.9Å; L122-L186 HydrophobicContact CG-CD2 4.38Å; L122-L187 HydrophobicContact CD2-CD2 3.94Å |
| 123 | Q | 97 | Very high | 95.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -55.6 | 173 | 179.6 | -162 | -20.6 | 0 | 0 | 110.4 | G119 Q120 V121 L125 F126 E127 L134 V136 V153 | G119-Q123 VanDerWaalsContact O-CB 3.29Å; G119-Q123 WeakPolarHBondContact O-CB 3.43Å; G119-Q123 PolarHBondContact O-N 3.46Å; Q120-Q123 WeakPolarHBondContact O-CB 3.48Å; Q120-Q123 PolarHBondContact O-N 3.49Å; V121-Q123 VanDerWaalsContact C-N 3.34Å; V121-Q123 PolarHBondContact O-N 3.42Å; Q123-L125 PolarHBondContact O-N 3.45Å; Q123-F126 PolarHBondContact O-N 3.44Å; Q123-E127 HydrophobicContact CG-CG 4.37Å; Q123-E127 PolarHBondContact NE2-OE1 3.49Å; Q123-E127 WeakPolarHBondContact O-CG 3.35Å; Q123-E127 PolarHBondContact O-N 3.08Å; Q123-L134 HydrophobicContact CG-CB 4.5Å; Q123-L134 HydrophobicContact CG-CD1 4.24Å; Q123-V136 HydrophobicContact CG-CG2 3.81Å; Q123-V153 HydrophobicContact CB-CG2 3.71Å; Q123-V153 HydrophobicContact CG-CG2 4.17Å |
| 124 | K | 97 | Very high | 95.8 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | -173.4 | -69 | -67.7 | -177.4 | -171.4 | 0 | 111.9 | L102 I107 Q120 V121 F126 E127 K128 | L102-K124 HydrophobicContact CD1-CB 4.17Å; L102-K124 HydrophobicContact CD2-CB 4.08Å; I107-K124 HydrophobicContact CD1-CB 3.74Å; I107-K124 HydrophobicContact CD1-CG 3.66Å; Q120-K124 PolarHBondContact O-N 2.69Å; Q120-K124 VanDerWaalsContact O-N 3.12Å; V121-K124 PolarHBondContact O-N 2.89Å; K124-F126 PolarHBondContact O-N 3.07Å; K124-E127 IonicContact NZ-OE2 3.92Å; K124-E127 PolarHBondContact O-N 3.26Å; K124-K128 WeakPolarHBondContact O-CB 3.46Å; K124-K128 PolarHBondContact O-N 3.27Å |
| 125 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 173.1 | -175.7 | 65.4 | 0 | 0 | 0 | 111.2 | W97 I98 E101 L102 V121 Q123 E127 K128 L129 L187 L190 | W97-L125 HydrophobicContact CH2-CD1 4.24Å; W97-L125 HydrophobicContact CH2-CD2 4.01Å; W97-L125 HydrophobicContact CH2-CG 4.45Å; W97-L125 HydrophobicContact CZ2-CD1 4.24Å; W97-L125 HydrophobicContact CZ3-CD2 4.03Å; I98-L125 HydrophobicContact CD1-CD2 4.48Å; I98-L125 HydrophobicContact CG1-CD1 4.45Å; I98-L125 HydrophobicContact CG1-CD2 3.99Å; E101-L125 HydrophobicContact CB-CD1 4.04Å; E101-L125 HydrophobicContact CG-CD1 4.31Å; L102-L125 HydrophobicContact CD1-CB 4.3Å; V121-L125 WeakPolarHBondContact O-CB 3.38Å; V121-L125 PolarHBondContact O-N 3.28Å; Q123-L125 PolarHBondContact O-N 3.45Å; L125-E127 PolarHBondContact O-N 3.03Å; L125-K128 PolarHBondContact O-N 2.94Å; L125-L129 HydrophobicContact CD1-CD1 3.96Å; L125-L129 HydrophobicContact CD1-CG 4.25Å; L125-L129 HydrophobicContact CG-CD1 3.82Å; L125-L129 HydrophobicContact CG-CG 4.44Å; L125-L129 WeakPolarHBondContact O-CB 3.06Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.95Å; L125-L187 HydrophobicContact CD2-CD2 3.67Å; L125-L190 HydrophobicContact CD2-CD1 4.32Å |
| 126 | F | 97.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 179.9 | -178.7 | -97.5 | 0 | 0 | 0 | 112.8 | L122 Q123 K124 K128 L129 S130 L134 A156 V157 T160 L190 F194 | L122-F126 WeakPolarHBondContact O-CB 3.43Å; L122-F126 PolarHBondContact O-N 2.79Å; Q123-F126 PolarHBondContact O-N 3.44Å; K124-F126 PolarHBondContact O-N 3.07Å; F126-K128 VanDerWaalsContact C-N 3.33Å; F126-K128 PolarHBondContact O-N 3.49Å; F126-L129 PolarHBondContact O-N 3.14Å; F126-S130 VanDerWaalsContact O-CB 3.25Å; F126-S130 WeakPolarHBondContact O-CB 3.25Å; F126-S130 PolarHBondContact O-N 3.35Å; F126-S130 PolarHBondContact O-OG 3.2Å; F126-L134 HydrophobicContact CD1-CD1 3.88Å; F126-L134 HydrophobicContact CD1-CD2 4.29Å; F126-L134 HydrophobicContact CD1-CG 4.22Å; F126-L134 HydrophobicContact CE1-CD1 4.48Å; F126-L134 HydrophobicContact CE1-CD2 4.13Å; F126-A156 HydrophobicContact CD1-CB 4.44Å; F126-A156 HydrophobicContact CE1-CB 3.79Å; F126-A156 HydrophobicContact CZ-CB 4.15Å; F126-V157 HydrophobicContact CB-CG2 4.28Å; F126-V157 HydrophobicContact CD2-CB 4.43Å; F126-V157 HydrophobicContact CD2-CG2 3.49Å; F126-V157 VanDerWaalsContact CD2-CG2 3.49Å; F126-V157 HydrophobicContact CE2-CB 4.45Å; F126-V157 HydrophobicContact CE2-CG2 3.95Å; F126-V157 HydrophobicContact CG-CG2 3.89Å; F126-T160 HydrophobicContact CE2-CG2 4.46Å; F126-T160 WeakPolarHBondContact CZ-OG1 3.33Å; F126-L190 HydrophobicContact CD2-CD2 4.12Å; F126-F194 HydrophobicContact CD2-CE2 4.39Å; F126-F194 HydrophobicContact CE2-CE2 4.36Å; F126-F194 HydrophobicContact CE2-CZ 4.22Å |
| 127 | E | 96.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 176.5 | -70.3 | -174.2 | 170.4 | 0 | 0 | 111.9 | Q123 K124 L125 G131 R132 K133 L134 | Q123-E127 HydrophobicContact CG-CG 4.37Å; Q123-E127 PolarHBondContact NE2-OE1 3.49Å; Q123-E127 WeakPolarHBondContact O-CG 3.35Å; Q123-E127 PolarHBondContact O-N 3.08Å; K124-E127 IonicContact NZ-OE2 3.92Å; K124-E127 PolarHBondContact O-N 3.26Å; L125-E127 PolarHBondContact O-N 3.03Å; E127-G131 VanDerWaalsContact O-CA 3.32Å; E127-G131 WeakPolarHBondContact O-CA 3.44Å; E127-G131 PolarHBondContact O-N 3.48Å; E127-R132 VanDerWaalsContact CA-O 3.29Å; E127-R132 WeakPolarHBondContact CA-O 3.4Å; E127-R132 WeakPolarHBondContact CB-O 3.27Å; E127-R132 WeakPolarHBondContact CG-O 3.28Å; E127-K133 HydrophobicContact CG-CD 4.5Å; E127-K133 WeakPolarHBondContact OE2-CD 3.39Å; E127-K133 IonicContact OE2-NZ 2.85Å; E127-K133 PolarHBondContact OE2-NZ 3.23Å; E127-L134 HydrophobicContact CG-CB 4.49Å; E127-L134 HydrophobicContact CG-CG 4.22Å; E127-L134 PolarHBondContact OE1-N 3.05Å |
| 128 | K | 95.3 | Very high | 93.7 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -52.7 | 176.9 | -176.5 | 71.4 | 169.7 | -162.9 | 0 | 111.1 | L102 E104 K124 L125 F126 | L102-K128 HydrophobicContact CD2-CB 4.27Å; E104-K128 IonicContact OE2-NZ 2.75Å; E104-K128 PolarHBondContact OE2-NZ 3.08Å; K124-K128 WeakPolarHBondContact O-CB 3.46Å; K124-K128 PolarHBondContact O-N 3.27Å; L125-K128 PolarHBondContact O-N 2.94Å; F126-K128 VanDerWaalsContact C-N 3.33Å; F126-K128 PolarHBondContact O-N 3.49Å |
| 129 | L | 94.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | -176 | -66.1 | 174.3 | 0 | 0 | 0 | 112.9 | W97 L125 F126 L190 F194 | W97-L129 HydrophobicContact CH2-CD1 3.87Å; W97-L129 HydrophobicContact CZ2-CD1 3.76Å; W97-L129 HydrophobicContact CZ2-CD2 4.05Å; L125-L129 HydrophobicContact CD1-CD1 3.96Å; L125-L129 HydrophobicContact CD1-CG 4.25Å; L125-L129 HydrophobicContact CG-CD1 3.82Å; L125-L129 HydrophobicContact CG-CG 4.44Å; L125-L129 WeakPolarHBondContact O-CB 3.06Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.95Å; F126-L129 PolarHBondContact O-N 3.14Å; L129-L190 HydrophobicContact CD1-CB 4.45Å; L129-F194 HydrophobicContact CB-CB 4.25Å; L129-F194 HydrophobicContact CB-CD1 3.95Å; L129-F194 HydrophobicContact CB-CD2 3.73Å; L129-F194 HydrophobicContact CB-CE1 4.2Å; L129-F194 HydrophobicContact CB-CE2 3.98Å; L129-F194 HydrophobicContact CB-CG 3.71Å; L129-F194 HydrophobicContact CB-CZ 4.2Å; L129-F194 HydrophobicContact CD1-CB 4.4Å; L129-F194 HydrophobicContact CD1-CD2 3.79Å; L129-F194 HydrophobicContact CD1-CE2 4.4Å; L129-F194 HydrophobicContact CD1-CG 4.26Å; L129-F194 HydrophobicContact CD2-CB 4.12Å; L129-F194 HydrophobicContact CD2-CG 4.49Å; L129-F194 HydrophobicContact CG-CB 4.49Å; L129-F194 HydrophobicContact CG-CD2 4.31Å; L129-F194 HydrophobicContact CG-CG 4.38Å; L129-F194 WeakPolarHBondContact O-CD1 3.3Å; L129-F194 WeakPolarHBondContact O-CE1 3.29Å |
| 130 | S | 93.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -87.6 | -15.8 | -176.9 | 69.8 | 0 | 0 | 0 | 0 | 114 | F126 R132 | F126-S130 VanDerWaalsContact O-CB 3.25Å; F126-S130 WeakPolarHBondContact O-CB 3.25Å; F126-S130 PolarHBondContact O-N 3.35Å; F126-S130 PolarHBondContact O-OG 3.2Å; S130-R132 PolarHBondContact O-N 3.37Å; S130-R132 WeakPolarHBondContact OG-CB 3.43Å; S130-R132 PolarHBondContact OG-N 3.05Å |
| 131 | G | 92.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | trans | 65.5 | 9.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E127 | E127-G131 VanDerWaalsContact O-CA 3.32Å; E127-G131 WeakPolarHBondContact O-CA 3.44Å; E127-G131 PolarHBondContact O-N 3.48Å | ||
| 132 | R | 93.4 | Very high | 91.9 | Very high | 168 Ų | 168 | 65.1 Ų | 65.1 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | trans | -105.1 | 131.6 | -177.9 | -61.2 | 178.3 | -176.6 | -174.2 | 1.4 | 110.4 | E127 S130 | E127-R132 VanDerWaalsContact CA-O 3.29Å; E127-R132 WeakPolarHBondContact CA-O 3.4Å; E127-R132 WeakPolarHBondContact CB-O 3.27Å; E127-R132 WeakPolarHBondContact CG-O 3.28Å; S130-R132 PolarHBondContact O-N 3.37Å; S130-R132 WeakPolarHBondContact OG-CB 3.43Å; S130-R132 PolarHBondContact OG-N 3.05Å | ||
| 133 | K | 93.5 | Very high | 91.7 | Very high | 159 Ų | 159 | 70.3 Ų | 70.3 | 69% | 0.691 | 37% | 0.373 | S | S | * | . | trans | -81.9 | 134.6 | 172.7 | -70.8 | -71.3 | 170.2 | -170.8 | 0 | 111.3 | E127 | E127-K133 HydrophobicContact CG-CD 4.5Å; E127-K133 WeakPolarHBondContact OE2-CD 3.39Å; E127-K133 IonicContact OE2-NZ 2.85Å; E127-K133 PolarHBondContact OE2-NZ 3.23Å | ||
| 134 | L | 94 | Very high | 91.5 | Very high | 29 Ų | 29 | 75.8 Ų | 75.8 | 15% | 0.152 | 40% | 0.402 | C | S | . | . | trans | -95.2 | 139.1 | 176.2 | -63.7 | -177.8 | 0 | 0 | 0 | 110.1 | Q123 F126 E127 V136 V153 A156 | Q123-L134 HydrophobicContact CG-CB 4.5Å; Q123-L134 HydrophobicContact CG-CD1 4.24Å; F126-L134 HydrophobicContact CD1-CD1 3.88Å; F126-L134 HydrophobicContact CD1-CD2 4.29Å; F126-L134 HydrophobicContact CD1-CG 4.22Å; F126-L134 HydrophobicContact CE1-CD1 4.48Å; F126-L134 HydrophobicContact CE1-CD2 4.13Å; E127-L134 HydrophobicContact CG-CB 4.49Å; E127-L134 HydrophobicContact CG-CG 4.22Å; E127-L134 PolarHBondContact OE1-N 3.05Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 HydrophobicContact CB-CG2 4.32Å; L134-V136 PolarHBondContact O-N 3.17Å; L134-V136 VanDerWaalsContact O-N 3.08Å; L134-V153 HydrophobicContact CD1-CB 4.36Å; L134-V153 HydrophobicContact CD1-CG2 3.92Å; L134-A156 HydrophobicContact CD1-CB 4.34Å; L134-A156 HydrophobicContact CD2-CB 3.56Å | ||
| 135 | N | 91.4 | Very high | 91.4 | Very high | 162 Ų | 162 | 74.4 Ų | 74.4 | 87% | 0.866 | 40% | 0.399 | S | S | * | . | trans | -84.9 | 78.7 | 176.1 | -172.5 | 18.4 | 0 | 0 | 0 | 110.3 | ||||
| 136 | V | 90.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 75.4 Ų | 75.4 | 14% | 0.139 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -134.5 | 153 | 175.9 | -64.1 | 0 | 0 | 0 | 0 | 110 | Q123 L134 K149 T152 | Q123-V136 HydrophobicContact CG-CG2 3.81Å; L134-V136 VanDerWaalsContact C-N 3.34Å; L134-V136 HydrophobicContact CB-CG2 4.32Å; L134-V136 PolarHBondContact O-N 3.17Å; L134-V136 VanDerWaalsContact O-N 3.08Å; V136-K149 HydrophobicContact CB-CG 4.34Å; V136-K149 HydrophobicContact CG2-CG 4.4Å; V136-T152 HydrophobicContact CG1-CG2 3.46Å; V136-T152 VanDerWaalsContact CG1-CG2 3.46Å |
| 137 | A | 84.8 | Confident | 91.2 | Very high | 61 Ų | 61 | 78.3 Ų | 78.3 | 50% | 0.504 | 42% | 0.416 | S | S | . | . | trans | -60.4 | 139.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V139 T140 K149 | A137-V139 VanDerWaalsContact C-N 3.31Å; A137-V139 PolarHBondContact O-N 3.5Å; A137-T140 HydrophobicContact CB-CG2 4.25Å; A137-K149 VanDerWaalsContact O-CE 3.24Å; A137-K149 WeakPolarHBondContact O-CE 3.44Å; A137-K149 PolarHBondContact O-NZ 2.86Å | ||
| 138 | E | 78.1 | Confident | 91.2 | Very high | 146 Ų | 146 | 84 Ų | 84 | 68% | 0.682 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -65.8 | -33.5 | -177.6 | -67 | -169.3 | 153.8 | 0 | 0 | 113.2 | Q120 K149 | Q120-E138 PolarHBondContact OE1-O 2.93Å; E138-K149 PolarHBondContact O-NZ 3.01Å |
| 139 | V | 82.1 | Confident | 91.2 | Very high | 103 Ų | 103 | 80.6 Ų | 80.6 | 62% | 0.624 | 43% | 0.428 | S | S | * | . | trans | -133.5 | 136.4 | 179 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | A137 Q141 | A137-V139 VanDerWaalsContact C-N 3.31Å; A137-V139 PolarHBondContact O-N 3.5Å; V139-Q141 HydrophobicContact CG1-CG 4.41Å | ||
| 140 | T | 85.1 | Confident | 91.4 | Very high | 20 Ų | 20 | 79 Ų | 79 | 12% | 0.123 | 42% | 0.42 | C | S | . | . | trans | -130 | 117.7 | 177.6 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | A137 K149 | A137-T140 HydrophobicContact CB-CG2 4.25Å; T140-K149 HydrophobicContact CG2-CB 4.39Å; T140-K149 WeakPolarHBondContact OG1-CE 3.46Å | ||
| 141 | Q | 84.1 | Confident | 91.6 | Very high | 166 Ų | 166 | 82.6 Ų | 82.6 | 78% | 0.776 | 43% | 0.433 | S | S | * | . | trans | -99.3 | -23.2 | -178.5 | -65.4 | -67.2 | -39.8 | 0 | 0 | 112.8 | V139 | V139-Q141 HydrophobicContact CG1-CG 4.41Š| ||
| 142 | S | 94.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 81.9 Ų | 81.9 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -92.5 | 146.6 | 179.7 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | I144 G145 Q146 | S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 2.97Å; S142-G145 WeakPolarHBondContact O-CA 3.44Å; S142-G145 PolarHBondContact O-N 3.04Å; S142-G145 PolarHBondContact OG-N 2.83Å; S142-Q146 WeakPolarHBondContact O-CG 3.47Å; S142-Q146 PolarHBondContact O-N 2.92Å |
| 143 | E | 93.2 | Very high | 92 | Very high | 110 Ų | 110 | 73.9 Ų | 73.9 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.7 | -44.2 | 175.6 | -165.5 | -163.4 | 146.3 | 0 | 0 | 112 | G145 Q146 K147 H176 | E143-G145 VanDerWaalsContact C-N 3.32Å; E143-G145 PolarHBondContact O-N 3.25Å; E143-Q146 PolarHBondContact O-N 3.42Å; E143-K147 PolarHBondContact O-N 3.45Å; E143-K147 WeakPolarHBondContact OE1-CE 3.38Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.42Å; E143-H176 VanDerWaalsContact CG-CE1 3.41Å; E143-H176 WeakPolarHBondContact CG-CE1 3.44Å |
| 144 | I | 93.2 | Very high | 92.2 | Very high | 119 Ų | 119 | 66.5 Ų | 66.5 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 177.7 | -63.2 | 164.4 | 0 | 0 | 0 | 110.7 | S142 K147 Q148 | S142-I144 VanDerWaalsContact C-N 3.26Å; S142-I144 PolarHBondContact O-N 2.97Å; I144-K147 PolarHBondContact O-N 3.3Å; I144-Q148 WeakPolarHBondContact O-CB 3.42Å; I144-Q148 VanDerWaalsContact O-CG 3.28Å; I144-Q148 WeakPolarHBondContact O-CG 3.35Å; I144-Q148 PolarHBondContact O-N 3.44Å |
| 145 | G | 94.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S142 E143 Q148 K149 | S142-G145 WeakPolarHBondContact O-CA 3.44Å; S142-G145 PolarHBondContact O-N 3.04Å; S142-G145 PolarHBondContact OG-N 2.83Å; E143-G145 VanDerWaalsContact C-N 3.32Å; E143-G145 PolarHBondContact O-N 3.25Å; G145-Q148 PolarHBondContact O-N 3.07Å; G145-K149 WeakPolarHBondContact O-CB 3.36Å; G145-K149 PolarHBondContact O-N 3.45Å |
| 146 | Q | 95.4 | Very high | 92.6 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 175.4 | -66.3 | 170 | -13 | 0 | 0 | 111.1 | D118 S142 E143 Q148 K149 L150 H176 | D118-Q146 HydrophobicContact CB-CG 3.98Å; S142-Q146 WeakPolarHBondContact O-CG 3.47Å; S142-Q146 PolarHBondContact O-N 2.92Å; E143-Q146 PolarHBondContact O-N 3.42Å; Q146-Q148 VanDerWaalsContact C-N 3.35Å; Q146-Q148 PolarHBondContact O-N 3.32Å; Q146-K149 WeakPolarHBondContact O-CB 3.21Å; Q146-K149 PolarHBondContact O-N 3.03Å; Q146-L150 PolarHBondContact O-N 3.26Å; Q146-H176 PolarHBondContact OE1-NE2 3.42Å |
| 147 | K | 96.3 | Very high | 92.9 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.5 | -72.7 | -176.5 | 175.6 | 167.2 | 0 | 112.5 | E143 I144 L150 Q151 V172 H176 | E143-K147 PolarHBondContact O-N 3.45Å; E143-K147 WeakPolarHBondContact OE1-CE 3.38Å; E143-K147 IonicContact OE1-NZ 2.69Å; E143-K147 PolarHBondContact OE1-NZ 3.42Å; I144-K147 PolarHBondContact O-N 3.3Å; K147-L150 PolarHBondContact O-N 2.93Å; K147-Q151 WeakPolarHBondContact O-CB 3.44Å; K147-Q151 PolarHBondContact O-N 3.35Å; K147-V172 HydrophobicContact CB-CG1 3.93Å; K147-V172 HydrophobicContact CG-CG1 4.02Å; K147-H176 VanDerWaalsContact CE-ND1 3.29Å; K147-H176 WeakPolarHBondContact CE-ND1 3.26Å; K147-H176 HydrophobicContact CG-CB 4.4Å |
| 148 | Q | 95.7 | Very high | 93.5 | Very high | 128 Ų | 128 | 60.5 Ų | 60.5 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 174.1 | -75.4 | 174.3 | -4.6 | 0 | 0 | 112.5 | I144 G145 Q146 Q151 T152 | I144-Q148 WeakPolarHBondContact O-CB 3.42Å; I144-Q148 VanDerWaalsContact O-CG 3.28Å; I144-Q148 WeakPolarHBondContact O-CG 3.35Å; I144-Q148 PolarHBondContact O-N 3.44Å; G145-Q148 PolarHBondContact O-N 3.07Å; Q146-Q148 VanDerWaalsContact C-N 3.35Å; Q146-Q148 PolarHBondContact O-N 3.32Å; Q148-Q151 WeakPolarHBondContact O-CB 3.48Å; Q148-Q151 PolarHBondContact O-N 3.39Å; Q148-T152 PolarHBondContact O-N 3.03Å; Q148-T152 PolarHBondContact O-OG1 2.79Å |
| 149 | K | 96.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -52.1 | 174.1 | 176.9 | -174.2 | -72 | -112.2 | 0 | 110.6 | D118 V136 A137 E138 T140 G145 Q146 Q151 T152 V153 | D118-K149 WeakPolarHBondContact O-CD 3.44Å; V136-K149 HydrophobicContact CB-CG 4.34Å; V136-K149 HydrophobicContact CG2-CG 4.4Å; A137-K149 VanDerWaalsContact O-CE 3.24Å; A137-K149 WeakPolarHBondContact O-CE 3.44Å; A137-K149 PolarHBondContact O-NZ 2.86Å; E138-K149 PolarHBondContact O-NZ 3.01Å; T140-K149 HydrophobicContact CG2-CB 4.39Å; T140-K149 WeakPolarHBondContact OG1-CE 3.46Å; G145-K149 WeakPolarHBondContact O-CB 3.36Å; G145-K149 PolarHBondContact O-N 3.45Å; Q146-K149 WeakPolarHBondContact O-CB 3.21Å; Q146-K149 PolarHBondContact O-N 3.03Å; K149-Q151 VanDerWaalsContact C-N 3.27Å; K149-Q151 PolarHBondContact O-N 3.01Å; K149-T152 PolarHBondContact O-N 2.98Å; K149-V153 HydrophobicContact CG-CG2 4.25Å; K149-V153 VanDerWaalsContact O-CG2 3.31Å; K149-V153 WeakPolarHBondContact O-CG2 3.43Å; K149-V153 PolarHBondContact O-N 3.47Å |
| 150 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.2 | -41.4 | 176.7 | -81.4 | 174.5 | 0 | 0 | 0 | 112 | Y117 G119 L122 Q146 K147 T152 V153 L154 V172 I175 H176 | Y117-L150 VanDerWaalsContact O-CD1 3.27Å; Y117-L150 WeakPolarHBondContact O-CD1 3.38Å; G119-L150 VanDerWaalsContact CA-CD2 3.42Å; L122-L150 HydrophobicContact CD1-CD2 4.13Å; Q146-L150 PolarHBondContact O-N 3.26Å; K147-L150 PolarHBondContact O-N 2.93Å; L150-T152 PolarHBondContact O-N 2.92Å; L150-V153 PolarHBondContact O-N 3.06Å; L150-L154 VanDerWaalsContact O-CB 3.24Å; L150-L154 WeakPolarHBondContact O-CB 3.21Å; L150-L154 VanDerWaalsContact O-CG 3.23Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 2.54Å; L150-V172 HydrophobicContact CB-CB 4.48Å; L150-V172 HydrophobicContact CB-CG1 3.95Å; L150-V172 HydrophobicContact CB-CG2 4.19Å; L150-V172 HydrophobicContact CD1-CG1 4.24Å; L150-I175 HydrophobicContact CD1-CB 4.33Å; L150-I175 HydrophobicContact CD1-CG2 4.19Å; L150-I175 HydrophobicContact CD2-CB 4.25Å; L150-I175 HydrophobicContact CD2-CG2 3.63Å; L150-H176 HydrophobicContact CD1-CB 3.71Å |
| 151 | Q | 97.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 53.5 Ų | 53.5 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56 | -51.4 | 176.8 | -178.6 | 62.7 | 37.6 | 0 | 0 | 111.1 | K147 Q148 K149 E155 V172 | K147-Q151 WeakPolarHBondContact O-CB 3.44Å; K147-Q151 PolarHBondContact O-N 3.35Å; Q148-Q151 WeakPolarHBondContact O-CB 3.48Å; Q148-Q151 PolarHBondContact O-N 3.39Å; K149-Q151 VanDerWaalsContact C-N 3.27Å; K149-Q151 PolarHBondContact O-N 3.01Å; Q151-E155 WeakPolarHBondContact O-CB 3.43Å; Q151-E155 PolarHBondContact O-N 3.09Å; Q151-V172 HydrophobicContact CB-CG2 4.04Å; Q151-V172 VanDerWaalsContact OE1-CG2 3.3Å |
| 152 | T | 97.3 | Very high | 95 | Very high | 56 Ų | 56 | 53 Ų | 53 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 179.3 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | V136 Q148 K149 L150 A156 | V136-T152 HydrophobicContact CG1-CG2 3.46Å; V136-T152 VanDerWaalsContact CG1-CG2 3.46Å; Q148-T152 PolarHBondContact O-N 3.03Å; Q148-T152 PolarHBondContact O-OG1 2.79Å; K149-T152 PolarHBondContact O-N 2.98Å; L150-T152 PolarHBondContact O-N 2.92Å; T152-A156 PolarHBondContact O-N 2.75Å; T152-A156 VanDerWaalsContact O-N 3.12Å |
| 153 | V | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 179.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L122 Q123 L134 K149 L150 E155 A156 V157 | L122-V153 HydrophobicContact CB-CG1 4.07Å; Q123-V153 HydrophobicContact CB-CG2 3.71Å; Q123-V153 HydrophobicContact CG-CG2 4.17Å; L134-V153 HydrophobicContact CD1-CB 4.36Å; L134-V153 HydrophobicContact CD1-CG2 3.92Å; K149-V153 HydrophobicContact CG-CG2 4.25Å; K149-V153 VanDerWaalsContact O-CG2 3.31Å; K149-V153 WeakPolarHBondContact O-CG2 3.43Å; K149-V153 PolarHBondContact O-N 3.47Å; L150-V153 PolarHBondContact O-N 3.06Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 3.17Å; V153-A156 PolarHBondContact O-N 2.84Å; V153-V157 HydrophobicContact CG1-CG2 4.45Å; V153-V157 WeakPolarHBondContact O-CG2 3.4Å; V153-V157 PolarHBondContact O-N 2.79Å |
| 154 | L | 97.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -32.9 | -178.6 | -65.1 | -177.9 | 0 | 0 | 0 | 111.7 | L150 V157 N158 V172 I175 L186 | L150-L154 VanDerWaalsContact O-CB 3.24Å; L150-L154 WeakPolarHBondContact O-CB 3.21Å; L150-L154 VanDerWaalsContact O-CG 3.23Å; L150-L154 WeakPolarHBondContact O-CG 3.43Å; L150-L154 PolarHBondContact O-N 2.54Å; L154-V157 PolarHBondContact O-N 2.9Å; L154-N158 WeakPolarHBondContact O-CB 3.43Å; L154-N158 PolarHBondContact O-N 3.33Å; L154-N158 PolarHBondContact O-ND2 2.86Å; L154-N158 VanDerWaalsContact O-ND2 3.12Å; L154-N158 PolarHBondContact O-OD1 2.91Å; L154-V172 HydrophobicContact CD1-CG2 3.99Å; L154-I175 HydrophobicContact CD1-CG1 4.19Å; L154-L186 HydrophobicContact CD2-CD1 4.3Å; L154-L186 HydrophobicContact CD2-CD2 3.71Å |
| 155 | E | 96.9 | Very high | 92.7 | Very high | 102 Ų | 102 | 50 Ų | 50 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 172.6 | -174.6 | 170 | -178.9 | 0 | 0 | 111.6 | Q151 V153 N158 N159 | Q151-E155 WeakPolarHBondContact O-CB 3.43Å; Q151-E155 PolarHBondContact O-N 3.09Å; V153-E155 VanDerWaalsContact C-N 3.32Å; V153-E155 PolarHBondContact O-N 3.17Å; E155-N158 PolarHBondContact O-N 2.87Å; E155-N159 WeakPolarHBondContact O-CB 3.36Å; E155-N159 PolarHBondContact O-N 3.34Å; E155-N159 PolarHBondContact O-ND2 3.35Å |
| 156 | A | 97.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F126 L134 T152 V153 T160 | F126-A156 HydrophobicContact CD1-CB 4.44Å; F126-A156 HydrophobicContact CE1-CB 3.79Å; F126-A156 HydrophobicContact CZ-CB 4.15Å; L134-A156 HydrophobicContact CD1-CB 4.34Å; L134-A156 HydrophobicContact CD2-CB 3.56Å; T152-A156 PolarHBondContact O-N 2.75Å; T152-A156 VanDerWaalsContact O-N 3.12Å; V153-A156 PolarHBondContact O-N 2.84Å; A156-T160 PolarHBondContact O-N 2.95Å; A156-T160 PolarHBondContact O-OG1 2.88Å |
| 157 | V | 96.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 175 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | F126 V153 L154 N159 T160 L161 W170 L186 L190 | F126-V157 HydrophobicContact CB-CG2 4.28Å; F126-V157 HydrophobicContact CD2-CB 4.43Å; F126-V157 HydrophobicContact CD2-CG2 3.49Å; F126-V157 VanDerWaalsContact CD2-CG2 3.49Å; F126-V157 HydrophobicContact CE2-CB 4.45Å; F126-V157 HydrophobicContact CE2-CG2 3.95Å; F126-V157 HydrophobicContact CG-CG2 3.89Å; V153-V157 HydrophobicContact CG1-CG2 4.45Å; V153-V157 WeakPolarHBondContact O-CG2 3.4Å; V153-V157 PolarHBondContact O-N 2.79Å; L154-V157 PolarHBondContact O-N 2.9Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.41Å; V157-T160 CarbonylContact O-C 3.59Å; V157-T160 WeakPolarHBondContact O-CA 3.01Å; V157-T160 VanDerWaalsContact O-CB 3.32Å; V157-T160 WeakPolarHBondContact O-CB 3.3Å; V157-T160 PolarHBondContact O-N 3.16Å; V157-L161 HydrophobicContact CG1-CD1 3.49Å; V157-L161 VanDerWaalsContact CG1-CD1 3.49Å; V157-L161 HydrophobicContact CG1-CG 4.02Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.98Å; V157-W170 HydrophobicContact CG1-CZ2 4.42Å; V157-L186 HydrophobicContact CG1-CD1 3.68Å; V157-L190 HydrophobicContact CG1-CD2 3.91Å; V157-L190 HydrophobicContact CG1-CG 4.46Å; V157-L190 HydrophobicContact CG2-CD2 4.33Å |
| 158 | N | 95.9 | Very high | 91.2 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 13% | 0.128 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | -178.3 | -69.6 | -15.4 | 0 | 0 | 0 | 111.8 | L154 E155 T160 L161 R162 L168 W170 | L154-N158 WeakPolarHBondContact O-CB 3.43Å; L154-N158 PolarHBondContact O-N 3.33Å; L154-N158 PolarHBondContact O-ND2 2.86Å; L154-N158 VanDerWaalsContact O-ND2 3.12Å; L154-N158 PolarHBondContact O-OD1 2.91Å; E155-N158 PolarHBondContact O-N 2.87Å; N158-T160 PolarHBondContact O-N 3.29Å; N158-L161 PolarHBondContact O-N 3.14Å; N158-R162 VanDerWaalsContact O-CB 3.24Å; N158-R162 WeakPolarHBondContact O-CB 3.42Å; N158-R162 VanDerWaalsContact O-CG 3.26Å; N158-R162 WeakPolarHBondContact O-CG 3.26Å; N158-R162 PolarHBondContact O-N 2.75Å; N158-L168 HydrophobicContact CB-CD1 3.92Å; N158-L168 VanDerWaalsContact CG-CD1 3.42Å; N158-L168 WeakPolarHBondContact OD1-CD1 3.26Å; N158-L168 WeakPolarHBondContact OD1-CD2 3.29Å; N158-W170 PolarHBondContact OD1-NE1 2.79Å |
| 159 | N | 94.1 | Very high | 91 | Very high | 101 Ų | 101 | 50.4 Ų | 50.4 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -24.6 | 175 | -72.7 | -23 | 0 | 0 | 0 | 112.6 | E155 V157 P163 | E155-N159 WeakPolarHBondContact O-CB 3.36Å; E155-N159 PolarHBondContact O-N 3.34Å; E155-N159 PolarHBondContact O-ND2 3.35Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.41Å; N159-P163 VanDerWaalsContact O-CD 3.26Å; N159-P163 WeakPolarHBondContact O-CD 3.5Å; N159-P163 WeakPolarHBondContact O-CG 3.38Å |
| 160 | T | 91.7 | Very high | 91 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -82.8 | -42.4 | 175.5 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | F126 A156 V157 N158 H164 H193 F194 | F126-T160 HydrophobicContact CE2-CG2 4.46Å; F126-T160 WeakPolarHBondContact CZ-OG1 3.33Å; A156-T160 PolarHBondContact O-N 2.95Å; A156-T160 PolarHBondContact O-OG1 2.88Å; V157-T160 CarbonylContact O-C 3.59Å; V157-T160 WeakPolarHBondContact O-CA 3.01Å; V157-T160 VanDerWaalsContact O-CB 3.32Å; V157-T160 WeakPolarHBondContact O-CB 3.3Å; V157-T160 PolarHBondContact O-N 3.16Å; N158-T160 PolarHBondContact O-N 3.29Å; T160-H164 PolarHBondContact O-CE1 3.46Å; T160-H164 PolarHBondContact O-ND1 3.03Å; T160-H193 VanDerWaalsContact CG2-NE2 3.32Å; T160-H193 WeakPolarHBondContact CG2-NE2 3.5Å; T160-F194 HydrophobicContact CG2-CZ 4.09Å |
| 161 | L | 90.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -85.1 | -40.4 | -173.2 | -63.9 | -178.5 | 0 | 0 | 0 | 113.9 | V157 N158 P163 H164 W166 W170 A189 L190 H193 | V157-L161 HydrophobicContact CG1-CD1 3.49Å; V157-L161 VanDerWaalsContact CG1-CD1 3.49Å; V157-L161 HydrophobicContact CG1-CG 4.02Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 2.98Å; N158-L161 PolarHBondContact O-N 3.14Å; L161-P163 VanDerWaalsContact C-CD 3.49Å; L161-H164 WeakPolarHBondContact O-CA 3.48Å; L161-H164 PolarHBondContact O-N 2.9Å; L161-W166 HydrophobicContact CB-CB 3.97Å; L161-W166 HydrophobicContact CB-CG 4.08Å; L161-W166 HydrophobicContact CD2-CG 4.45Å; L161-W170 HydrophobicContact CD1-CH2 3.79Å; L161-W170 HydrophobicContact CD1-CZ2 3.71Å; L161-A189 HydrophobicContact CD1-CB 3.84Å; L161-L190 HydrophobicContact CD1-CD2 4.5Å; L161-H193 HydrophobicContact CD2-CB 3.38Å |
| 162 | R | 86.6 | Confident | 90.8 | Very high | 155 Ų | 155 | 49.6 Ų | 49.6 | 59% | 0.585 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -55.3 | -43.1 | -176.8 | -76.6 | -179 | 179.8 | -169.5 | 4.3 | 114.2 | N158 H164 G165 L168 | N158-R162 VanDerWaalsContact O-CB 3.24Å; N158-R162 WeakPolarHBondContact O-CB 3.42Å; N158-R162 VanDerWaalsContact O-CG 3.26Å; N158-R162 WeakPolarHBondContact O-CG 3.26Å; N158-R162 PolarHBondContact O-N 2.75Å; R162-H164 PolarHBondContact O-N 3.17Å; R162-H164 VanDerWaalsContact O-N 3.07Å; R162-G165 PolarHBondContact O-N 2.95Å; R162-L168 HydrophobicContact CG-CD1 3.93Å; R162-L168 HydrophobicContact CG-CD2 4.36Å; R162-L168 HydrophobicContact CG-CG 4.29Å |
| 163 | P | 81.7 | Confident | 90.6 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -59 | -21.7 | 177.6 | -25.3 | 36 | 0 | 0 | 0 | 113.8 | N159 L161 | N159-P163 VanDerWaalsContact O-CD 3.26Å; N159-P163 WeakPolarHBondContact O-CD 3.5Å; N159-P163 WeakPolarHBondContact O-CG 3.38Å; L161-P163 VanDerWaalsContact C-CD 3.49Å |
| 164 | H | 74.3 | Confident | 90.5 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 37% | 0.366 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -98.4 | 17.1 | -179.4 | -54 | 87.2 | 0 | 0 | 0 | 112.6 | T160 L161 R162 W166 H193 F238 | T160-H164 PolarHBondContact O-CE1 3.46Å; T160-H164 PolarHBondContact O-ND1 3.03Å; L161-H164 WeakPolarHBondContact O-CA 3.48Å; L161-H164 PolarHBondContact O-N 2.9Å; R162-H164 PolarHBondContact O-N 3.17Å; R162-H164 VanDerWaalsContact O-N 3.07Å; H164-W166 PolarHBondContact O-N 3.22Å; H164-H193 AromaticContact CE1-CE1 3.53Å; H164-H193 AromaticContact CG-CE1 3.85Å; H164-H193 AromaticContact ND1-CE1 3.45Å; H164-H193 PolarHBondContact ND1-CE1 2.98Å; H164-H193 AromaticContact NE2-CE1 3.94Å; H164-F238 HydrophobicContact CB-CD1 4.33Å; H164-F238 HydrophobicContact CB-CE1 4.03Å |
| 165 | G | 76.6 | Confident | 90.4 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 16.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.4 | R162 | R162-G165 PolarHBondContact O-N 2.95Š|
| 166 | W | 83.4 | Confident | 90.4 | Very high | 27 Ų | 27 | 49 Ų | 49 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | trans | -70.5 | 131.4 | 174.4 | -73.2 | 95.1 | 0 | 0 | 0 | 111.7 | L161 H164 A189 M192 F238 | L161-W166 HydrophobicContact CB-CB 3.97Å; L161-W166 HydrophobicContact CB-CG 4.08Å; L161-W166 HydrophobicContact CD2-CG 4.45Å; H164-W166 PolarHBondContact O-N 3.22Å; W166-A189 HydrophobicContact CD2-CB 4.02Å; W166-A189 HydrophobicContact CE3-CB 3.66Å; W166-A189 HydrophobicContact CH2-CB 4.34Å; W166-A189 HydrophobicContact CZ3-CB 3.84Å; W166-M192 HydrophobicContact CH2-CB 3.69Å; W166-M192 HydrophobicContact CH2-CG 4.15Å; W166-M192 HydrophobicContact CZ2-CB 3.73Å; W166-F238 HydrophobicContact CZ2-CE2 4.34Å; W166-F238 AromaticContact CZ2-CZ 3.86Å; W166-F238 HydrophobicContact CZ2-CZ 3.86Å; W166-F238 AromaticContact NE1-CE1 3.83Å; W166-F238 AromaticContact NE1-CZ 3.58Å | ||
| 167 | T | 82.5 | Confident | 90.2 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | trans | -81.3 | 127.1 | 167.9 | 47.8 | 0 | 0 | 0 | 0 | 109 | E169 | T167-E169 PolarHBondContact O-N 2.8Š| ||
| 168 | L | 88.4 | Confident | 90.1 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | trans | -89.6 | 110.6 | -176.9 | -52.8 | -178 | 0 | 0 | 0 | 110 | N158 R162 W170 | N158-L168 HydrophobicContact CB-CD1 3.92Å; N158-L168 VanDerWaalsContact CG-CD1 3.42Å; N158-L168 WeakPolarHBondContact OD1-CD1 3.26Å; N158-L168 WeakPolarHBondContact OD1-CD2 3.29Å; R162-L168 HydrophobicContact CG-CD1 3.93Å; R162-L168 HydrophobicContact CG-CD2 4.36Å; R162-L168 HydrophobicContact CG-CG 4.29Å; L168-W170 HydrophobicContact CD2-CH2 3.76Å; L168-W170 HydrophobicContact CD2-CZ2 3.31Å; L168-W170 HydrophobicContact CG-CZ2 4.45Å | ||
| 169 | E | 91.6 | Very high | 90 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | trans | -102.5 | 20.8 | 179.2 | -67.1 | -69 | 147.2 | 0 | 0 | 111.8 | T167 Y185 K225 | T167-E169 PolarHBondContact O-N 2.8Å; E169-Y185 HydrophobicContact CB-CD1 4.17Å; E169-Y185 HydrophobicContact CB-CD2 3.57Å; E169-Y185 HydrophobicContact CB-CE2 4.06Å; E169-Y185 HydrophobicContact CB-CG 3.64Å; E169-Y185 HydrophobicContact CG-CD1 4.21Å; E169-Y185 HydrophobicContact CG-CD2 4.16Å; E169-Y185 HydrophobicContact CG-CE1 4.26Å; E169-Y185 HydrophobicContact CG-CE2 4.2Å; E169-Y185 HydrophobicContact CG-CG 4.17Å; E169-K225 IonicContact OE2-NZ 3.58Å; E169-K225 PolarHBondContact OE2-NZ 3.43Å | ||
| 170 | W | 94.9 | Very high | 90.1 | Very high | 19 Ų | 19 | 49 Ų | 49 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | trans | -137.2 | 152.8 | -177.7 | 58.3 | 83.7 | 0 | 0 | 0 | 112.2 | V157 N158 L161 L168 I175 A182 L186 A189 | V157-W170 HydrophobicContact CG1-CZ2 4.42Å; N158-W170 PolarHBondContact OD1-NE1 2.79Å; L161-W170 HydrophobicContact CD1-CH2 3.79Å; L161-W170 HydrophobicContact CD1-CZ2 3.71Å; L168-W170 HydrophobicContact CD2-CH2 3.76Å; L168-W170 HydrophobicContact CD2-CZ2 3.31Å; L168-W170 HydrophobicContact CG-CZ2 4.45Å; W170-I175 HydrophobicContact CB-CD1 4.14Å; W170-I175 HydrophobicContact CB-CG1 4.39Å; W170-A182 HydrophobicContact CB-CB 4.17Å; W170-L186 HydrophobicContact CD2-CB 3.87Å; W170-L186 HydrophobicContact CD2-CD1 4.01Å; W170-L186 HydrophobicContact CD2-CG 4.49Å; W170-L186 HydrophobicContact CE3-CB 3.9Å; W170-L186 HydrophobicContact CG-CB 4.18Å; W170-L186 HydrophobicContact CG-CD1 4.42Å; W170-L186 HydrophobicContact CH2-CD1 4.38Å; W170-L186 HydrophobicContact CZ2-CD1 3.81Å; W170-L186 HydrophobicContact CZ3-CB 4.4Å; W170-A189 HydrophobicContact CH2-CB 3.68Å; W170-A189 HydrophobicContact CZ3-CB 4.02Å | ||
| 171 | S | 95.3 | Very high | 90.3 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | trans | -140.9 | 168.6 | 172.7 | 70.1 | 0 | 0 | 0 | 0 | 110.4 | D173 S174 I175 | S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.17Å; S171-S174 PolarHBondContact N-OG 3.48Å; S171-S174 PolarHBondContact O-N 2.94Å; S171-S174 PolarHBondContact O-OG 2.97Å; S171-S174 PolarHBondContact OG-N 3.26Å; S171-S174 VanDerWaalsContact OG-N 3.08Å; S171-I175 WeakPolarHBondContact O-CG1 3.39Å; S171-I175 PolarHBondContact O-N 2.63Å | ||
| 172 | V | 96.4 | Very high | 90.5 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.5 | -47.2 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | K147 L150 Q151 L154 S174 I175 H176 | K147-V172 HydrophobicContact CB-CG1 3.93Å; K147-V172 HydrophobicContact CG-CG1 4.02Å; L150-V172 HydrophobicContact CB-CB 4.48Å; L150-V172 HydrophobicContact CB-CG1 3.95Å; L150-V172 HydrophobicContact CB-CG2 4.19Å; L150-V172 HydrophobicContact CD1-CG1 4.24Å; Q151-V172 HydrophobicContact CB-CG2 4.04Å; Q151-V172 VanDerWaalsContact OE1-CG2 3.3Å; L154-V172 HydrophobicContact CD1-CG2 3.99Å; V172-S174 PolarHBondContact O-N 3.45Å; V172-I175 PolarHBondContact O-N 2.98Å; V172-H176 WeakPolarHBondContact O-CB 3.39Å; V172-H176 PolarHBondContact O-N 2.86Å |
| 173 | D | 93.5 | Very high | 91.1 | Very high | 102 Ų | 102 | 40.9 Ų | 40.9 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -39.6 | -179 | -61.2 | -48.3 | 0 | 0 | 0 | 112.1 | S171 S177 | S171-D173 VanDerWaalsContact C-N 3.25Å; S171-D173 PolarHBondContact O-N 3.17Å; D173-S177 WeakPolarHBondContact O-CB 3.46Å; D173-S177 PolarHBondContact O-N 3.47Å; D173-S177 PolarHBondContact O-OG 2.47Å |
| 174 | S | 94.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 179.2 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | S171 V172 S177 N179 A182 | S171-S174 PolarHBondContact N-OG 3.48Å; S171-S174 PolarHBondContact O-N 2.94Å; S171-S174 PolarHBondContact O-OG 2.97Å; S171-S174 PolarHBondContact OG-N 3.26Å; S171-S174 VanDerWaalsContact OG-N 3.08Å; V172-S174 PolarHBondContact O-N 3.45Å; S174-S177 PolarHBondContact O-OG 2.51Å; S174-N179 WeakPolarHBondContact O-CB 3.29Å; S174-N179 PolarHBondContact O-N 2.84Å; S174-A182 VanDerWaalsContact OG-CB 3.31Å; S174-A182 WeakPolarHBondContact OG-CB 3.36Å |
| 175 | I | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.6 | -46.5 | 179.1 | -59.5 | -61 | 0 | 0 | 0 | 110.4 | Y117 L122 L150 L154 W170 S171 V172 S177 K178 A182 I183 L186 | Y117-I175 WeakPolarHBondContact CB-O 3.3Å; L122-I175 HydrophobicContact CD1-CG2 3.81Å; L150-I175 HydrophobicContact CD1-CB 4.33Å; L150-I175 HydrophobicContact CD1-CG2 4.19Å; L150-I175 HydrophobicContact CD2-CB 4.25Å; L150-I175 HydrophobicContact CD2-CG2 3.63Å; L154-I175 HydrophobicContact CD1-CG1 4.19Å; W170-I175 HydrophobicContact CB-CD1 4.14Å; W170-I175 HydrophobicContact CB-CG1 4.39Å; S171-I175 WeakPolarHBondContact O-CG1 3.39Å; S171-I175 PolarHBondContact O-N 2.63Å; V172-I175 PolarHBondContact O-N 2.98Å; I175-S177 VanDerWaalsContact C-N 3.3Å; I175-S177 PolarHBondContact O-N 2.75Å; I175-K178 PolarHBondContact O-N 3.45Å; I175-A182 HydrophobicContact CD1-CB 4.12Å; I175-I183 HydrophobicContact CD1-CB 4.25Å; I175-I183 HydrophobicContact CD1-CG1 3.54Å; I175-I183 HydrophobicContact CG2-CG1 4.36Å; I175-L186 HydrophobicContact CD1-CD2 4.19Å |
| 176 | H | 95.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 13% | 0.13 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -34.6 | -179.8 | -171.5 | -97.8 | 0 | 0 | 0 | 112.5 | Y117 E143 Q146 K147 L150 V172 K178 | Y117-H176 WeakPolarHBondContact O-CA 3.45Å; E143-H176 VanDerWaalsContact CG-CE1 3.41Å; E143-H176 WeakPolarHBondContact CG-CE1 3.44Å; Q146-H176 PolarHBondContact OE1-NE2 3.42Å; K147-H176 VanDerWaalsContact CE-ND1 3.29Å; K147-H176 WeakPolarHBondContact CE-ND1 3.26Å; K147-H176 HydrophobicContact CG-CB 4.4Å; L150-H176 HydrophobicContact CD1-CB 3.71Å; V172-H176 WeakPolarHBondContact O-CB 3.39Å; V172-H176 PolarHBondContact O-N 2.86Å; H176-K178 PolarHBondContact O-N 3.19Å |
| 177 | S | 93.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 30.2 Ų | 30.2 | 34% | 0.343 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 14.6 | 172.7 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | D173 S174 I175 N179 | D173-S177 WeakPolarHBondContact O-CB 3.46Å; D173-S177 PolarHBondContact O-N 3.47Å; D173-S177 PolarHBondContact O-OG 2.47Å; S174-S177 PolarHBondContact O-OG 2.51Å; I175-S177 VanDerWaalsContact C-N 3.3Å; I175-S177 PolarHBondContact O-N 2.75Å; S177-N179 VanDerWaalsContact C-N 3.29Å; S177-N179 PolarHBondContact O-N 3.45Å |
| 178 | K | 95.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 27% | 0.274 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 34.3 | 175.2 | -57.8 | -175.4 | 172 | 179.2 | 0 | 113.7 | E113 E114 Y117 I175 H176 L180 | E113-K178 HydrophobicContact CB-CB 4.08Å; E113-K178 HydrophobicContact CG-CB 4.49Å; E113-K178 WeakPolarHBondContact CG-O 3.28Å; E113-K178 WeakPolarHBondContact O-CG 3.49Å; E114-K178 WeakPolarHBondContact OE1-CD 3.29Å; E114-K178 WeakPolarHBondContact OE1-CE 3.1Å; E114-K178 IonicContact OE1-NZ 2.73Å; E114-K178 PolarHBondContact OE1-NZ 3.3Å; E114-K178 IonicContact OE2-NZ 3.48Å; E114-K178 PolarHBondContact OE2-NZ 3.42Å; Y117-K178 HydrophobicContact CG-CG 4.16Å; I175-K178 PolarHBondContact O-N 3.45Å; H176-K178 PolarHBondContact O-N 3.19Å; K178-L180 PolarHBondContact O-N 3.36Å |
| 179 | N | 94.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 13% | 0.128 | 13% | 0.131 | C | C | . | . | trans | -72.1 | 99.1 | 176.3 | -170.7 | -49.9 | 0 | 0 | 0 | 110.5 | I75 S174 S177 V181 A182 I183 | I75-N179 PolarHBondContact O-ND2 2.96Å; S174-N179 WeakPolarHBondContact O-CB 3.29Å; S174-N179 PolarHBondContact O-N 2.84Å; S177-N179 VanDerWaalsContact C-N 3.29Å; S177-N179 PolarHBondContact O-N 3.45Å; N179-V181 PolarHBondContact O-N 2.97Å; N179-V181 WeakPolarHBondContact OD1-CB 3.2Å; N179-V181 PolarHBondContact OD1-N 3.12Å; N179-V181 VanDerWaalsContact OD1-N 3.08Å; N179-A182 HydrophobicContact CB-CB 4.02Å; N179-A182 PolarHBondContact O-N 3.24Å; N179-A182 VanDerWaalsContact O-N 3.1Å; N179-A182 PolarHBondContact OD1-N 3.26Å; N179-I183 WeakPolarHBondContact O-CG1 3.36Å; N179-I183 PolarHBondContact O-N 2.98Å | ||
| 180 | L | 95.4 | Very high | 95.5 | Very high | 12 Ų | 12 | 20.9 Ų | 20.9 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.1 | -37.7 | -179.4 | -176.7 | 57.1 | 0 | 0 | 0 | 113.3 | L77 F87 L112 E113 K178 I183 V184 | L77-L180 HydrophobicContact CD2-CD2 4.15Å; F87-L180 HydrophobicContact CE1-CD2 3.77Å; F87-L180 HydrophobicContact CZ-CD2 3.69Å; F87-L180 HydrophobicContact CZ-CG 3.96Å; L112-L180 HydrophobicContact CB-CD1 3.87Å; L112-L180 HydrophobicContact CD1-CD1 4.19Å; E113-L180 HydrophobicContact CG-CB 3.71Å; E113-L180 HydrophobicContact CG-CD1 4.05Å; E113-L180 HydrophobicContact CG-CG 4.32Å; K178-L180 PolarHBondContact O-N 3.36Å; L180-I183 PolarHBondContact O-N 2.93Å; L180-V184 HydrophobicContact CD1-CG2 3.95Å; L180-V184 HydrophobicContact CG-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CB 3.46Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.1Å; L180-V184 PolarHBondContact O-N 3.45Å |
| 181 | V | 95.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L77 N179 V184 Y185 V206 V208 K225 L227 | L77-V181 HydrophobicContact CB-CG2 4.17Å; L77-V181 HydrophobicContact CD1-CG2 3.86Å; L77-V181 HydrophobicContact CG-CG2 4.47Å; N179-V181 PolarHBondContact O-N 2.97Å; N179-V181 WeakPolarHBondContact OD1-CB 3.2Å; N179-V181 PolarHBondContact OD1-N 3.12Å; N179-V181 VanDerWaalsContact OD1-N 3.08Å; V181-V184 PolarHBondContact O-N 3.16Å; V181-Y185 HydrophobicContact CG1-CD2 3.77Å; V181-Y185 HydrophobicContact CG1-CE2 3.63Å; V181-Y185 WeakPolarHBondContact O-CD2 3.46Å; V181-Y185 PolarHBondContact O-N 3.49Å; V181-V206 HydrophobicContact CG2-CG2 4.24Å; V181-V208 HydrophobicContact CG1-CG1 4.31Å; V181-V208 HydrophobicContact CG2-CG1 3.88Å; V181-K225 HydrophobicContact CG1-CD 4.14Å; V181-L227 HydrophobicContact CG1-CD2 4.05Å |
| 182 | A | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | W170 S174 I175 N179 Y185 L186 | W170-A182 HydrophobicContact CB-CB 4.17Å; S174-A182 VanDerWaalsContact OG-CB 3.31Å; S174-A182 WeakPolarHBondContact OG-CB 3.36Å; I175-A182 HydrophobicContact CD1-CB 4.12Å; N179-A182 HydrophobicContact CB-CB 4.02Å; N179-A182 PolarHBondContact O-N 3.24Å; N179-A182 VanDerWaalsContact O-N 3.1Å; N179-A182 PolarHBondContact OD1-N 3.26Å; A182-Y185 PolarHBondContact O-N 2.79Å; A182-L186 WeakPolarHBondContact O-CB 3.3Å; A182-L186 PolarHBondContact O-N 3.29Å |
| 183 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.6 | -64.1 | 165.2 | 0 | 0 | 0 | 110.2 | L112 C116 I175 N179 L180 L186 L187 | L112-I183 HydrophobicContact CB-CG2 4.08Å; C116-I183 HydrophobicContact CB-CD1 4.43Å; C116-I183 HydrophobicContact CB-CG2 4.05Å; I175-I183 HydrophobicContact CD1-CB 4.25Å; I175-I183 HydrophobicContact CD1-CG1 3.54Å; I175-I183 HydrophobicContact CG2-CG1 4.36Å; N179-I183 WeakPolarHBondContact O-CG1 3.36Å; N179-I183 PolarHBondContact O-N 2.98Å; L180-I183 PolarHBondContact O-N 2.93Å; I183-L186 WeakPolarHBondContact O-CB 3.18Å; I183-L186 PolarHBondContact O-N 3.09Å; I183-L187 HydrophobicContact CG2-CD1 3.81Å; I183-L187 HydrophobicContact CG2-CG 4.38Å; I183-L187 VanDerWaalsContact O-CG 3.3Å; I183-L187 WeakPolarHBondContact O-CG 3.47Å; I183-L187 PolarHBondContact O-N 3.49Å |
| 184 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 178 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | F87 L90 V91 L94 L112 L180 V181 L186 L187 V188 L227 | F87-V184 HydrophobicContact CE2-CG2 4.28Å; F87-V184 HydrophobicContact CZ-CG2 4.49Å; L90-V184 HydrophobicContact CD2-CG1 3.78Å; L90-V184 HydrophobicContact CG-CG1 4.33Å; V91-V184 HydrophobicContact CG2-CG2 4.11Å; L94-V184 HydrophobicContact CD1-CB 4.48Å; L94-V184 HydrophobicContact CD1-CG1 3.98Å; L94-V184 HydrophobicContact CD1-CG2 4.33Å; L112-V184 HydrophobicContact CD1-CG2 4.14Å; L180-V184 HydrophobicContact CD1-CG2 3.95Å; L180-V184 HydrophobicContact CG-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CB 3.46Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.1Å; L180-V184 PolarHBondContact O-N 3.45Å; V181-V184 PolarHBondContact O-N 3.16Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 PolarHBondContact O-N 3.03Å; V184-L187 PolarHBondContact O-N 3.05Å; V184-V188 HydrophobicContact CG1-CG2 4.12Å; V184-V188 WeakPolarHBondContact O-CB 3.42Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.49Å; V184-V188 PolarHBondContact O-N 3.21Å; V184-L227 HydrophobicContact CG1-CD1 4.06Å |
| 185 | Y | 95.4 | Very high | 94 | Very high | 35 Ų | 35 | 19.2 Ų | 19.2 | 14% | 0.137 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 174.9 | -90.8 | -61.8 | 0 | 0 | 0 | 112.7 | E169 V181 A182 A189 K225 E226 L227 | E169-Y185 HydrophobicContact CB-CD1 4.17Å; E169-Y185 HydrophobicContact CB-CD2 3.57Å; E169-Y185 HydrophobicContact CB-CE2 4.06Å; E169-Y185 HydrophobicContact CB-CG 3.64Å; E169-Y185 HydrophobicContact CG-CD1 4.21Å; E169-Y185 HydrophobicContact CG-CD2 4.16Å; E169-Y185 HydrophobicContact CG-CE1 4.26Å; E169-Y185 HydrophobicContact CG-CE2 4.2Å; E169-Y185 HydrophobicContact CG-CG 4.17Å; V181-Y185 HydrophobicContact CG1-CD2 3.77Å; V181-Y185 HydrophobicContact CG1-CE2 3.63Å; V181-Y185 WeakPolarHBondContact O-CD2 3.46Å; V181-Y185 PolarHBondContact O-N 3.49Å; A182-Y185 PolarHBondContact O-N 2.79Å; Y185-A189 WeakPolarHBondContact O-CB 3.25Å; Y185-A189 PolarHBondContact O-N 2.88Å; Y185-K225 HydrophobicContact CE2-CB 4.4Å; Y185-K225 HydrophobicContact CE2-CD 3.72Å; Y185-K225 WeakPolarHBondContact OH-CB 3.27Å; Y185-E226 VanDerWaalsContact CE1-O 3.29Å; Y185-E226 WeakPolarHBondContact CE1-O 3.43Å; Y185-E226 PolarHBondContact OH-O 2.96Å; Y185-L227 HydrophobicContact CD1-CD2 4.42Å; Y185-L227 HydrophobicContact CD2-CD2 3.95Å; Y185-L227 HydrophobicContact CE1-CD2 4.06Å; Y185-L227 HydrophobicContact CE2-CD2 3.53Å; Y185-L227 HydrophobicContact CG-CD2 4.37Å |
| 186 | L | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 177.6 | 171.3 | 63.3 | 0 | 0 | 0 | 111.3 | L122 L154 V157 W170 I175 A182 I183 V184 A189 L190 | L122-L186 HydrophobicContact CD1-CD2 3.7Å; L122-L186 HydrophobicContact CD2-CD2 3.9Å; L122-L186 HydrophobicContact CG-CD2 4.38Å; L154-L186 HydrophobicContact CD2-CD1 4.3Å; L154-L186 HydrophobicContact CD2-CD2 3.71Å; V157-L186 HydrophobicContact CG1-CD1 3.68Å; W170-L186 HydrophobicContact CD2-CB 3.87Å; W170-L186 HydrophobicContact CD2-CD1 4.01Å; W170-L186 HydrophobicContact CD2-CG 4.49Å; W170-L186 HydrophobicContact CE3-CB 3.9Å; W170-L186 HydrophobicContact CG-CB 4.18Å; W170-L186 HydrophobicContact CG-CD1 4.42Å; W170-L186 HydrophobicContact CH2-CD1 4.38Å; W170-L186 HydrophobicContact CZ2-CD1 3.81Å; W170-L186 HydrophobicContact CZ3-CB 4.4Å; I175-L186 HydrophobicContact CD1-CD2 4.19Å; A182-L186 WeakPolarHBondContact O-CB 3.3Å; A182-L186 PolarHBondContact O-N 3.29Å; I183-L186 WeakPolarHBondContact O-CB 3.18Å; I183-L186 PolarHBondContact O-N 3.09Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 PolarHBondContact O-N 3.03Å; L186-A189 PolarHBondContact O-N 3.3Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CD1-CG 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.24Å; L186-L190 WeakPolarHBondContact O-CG 3.27Å; L186-L190 PolarHBondContact O-N 3.24Å |
| 187 | L | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -41 | -177.8 | -68.8 | 172.4 | 0 | 0 | 0 | 112.4 | L94 W97 I98 L112 L122 L125 I183 V184 A189 L190 A191 | L94-L187 HydrophobicContact CD1-CB 4.07Å; L94-L187 HydrophobicContact CD1-CD1 4.48Å; L94-L187 HydrophobicContact CD2-CB 4.09Å; W97-L187 HydrophobicContact CZ3-CD2 4.43Å; I98-L187 HydrophobicContact CD1-CD1 3.78Å; I98-L187 HydrophobicContact CD1-CD2 3.7Å; I98-L187 HydrophobicContact CD1-CG 4.36Å; I98-L187 HydrophobicContact CG1-CD2 4.38Å; L112-L187 HydrophobicContact CD1-CD1 3.94Å; L112-L187 HydrophobicContact CD2-CD1 3.82Å; L112-L187 HydrophobicContact CG-CD1 4.46Å; L122-L187 HydrophobicContact CD2-CD2 3.94Å; L125-L187 HydrophobicContact CD2-CD2 3.67Å; I183-L187 HydrophobicContact CG2-CD1 3.81Å; I183-L187 HydrophobicContact CG2-CG 4.38Å; I183-L187 VanDerWaalsContact O-CG 3.3Å; I183-L187 WeakPolarHBondContact O-CG 3.47Å; I183-L187 PolarHBondContact O-N 3.49Å; V184-L187 PolarHBondContact O-N 3.05Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.6Å; L187-L190 PolarHBondContact O-N 2.91Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 3.24Å |
| 188 | V | 95.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 4% | 0.036 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | 172.5 | 168.5 | 0 | 0 | 0 | 0 | 110.1 | L90 L94 V184 L190 A191 M192 L200 T228 | L90-V188 HydrophobicContact CD1-CG2 4.16Å; L94-V188 HydrophobicContact CD1-CG2 4.17Å; L94-V188 HydrophobicContact CD2-CG2 4.5Å; V184-V188 HydrophobicContact CG1-CG2 4.12Å; V184-V188 WeakPolarHBondContact O-CB 3.42Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.49Å; V184-V188 PolarHBondContact O-N 3.21Å; V188-L190 VanDerWaalsContact C-N 3.33Å; V188-L190 PolarHBondContact O-N 2.86Å; V188-A191 PolarHBondContact O-N 3.45Å; V188-M192 HydrophobicContact CG1-CG 4.25Å; V188-M192 WeakPolarHBondContact O-CB 3.37Å; V188-M192 WeakPolarHBondContact O-CG 3.35Å; V188-M192 PolarHBondContact O-N 3.38Å; V188-L200 HydrophobicContact CG1-CD1 3.99Å; V188-L200 HydrophobicContact CG2-CD1 4.34Å; V188-T228 HydrophobicContact CG1-CG2 4.37Å; V188-T228 HydrophobicContact CG2-CG2 4.25Å |
| 189 | A | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L161 W166 W170 Y185 L186 L187 H193 | L161-A189 HydrophobicContact CD1-CB 3.84Å; W166-A189 HydrophobicContact CD2-CB 4.02Å; W166-A189 HydrophobicContact CE3-CB 3.66Å; W166-A189 HydrophobicContact CH2-CB 4.34Å; W166-A189 HydrophobicContact CZ3-CB 3.84Å; W170-A189 HydrophobicContact CH2-CB 3.68Å; W170-A189 HydrophobicContact CZ3-CB 4.02Å; Y185-A189 WeakPolarHBondContact O-CB 3.25Å; Y185-A189 PolarHBondContact O-N 2.88Å; L186-A189 PolarHBondContact O-N 3.3Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 2.6Å; A189-H193 WeakPolarHBondContact O-CB 3.4Å; A189-H193 PolarHBondContact O-N 3.48Å |
| 190 | L | 95.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.6 | -49.7 | 175.2 | -73.1 | 172.2 | 0 | 0 | 0 | 112.3 | W97 L125 F126 L129 V157 L161 L186 L187 V188 M192 H193 F194 | W97-L190 HydrophobicContact CH2-CB 4.13Å; L125-L190 HydrophobicContact CD2-CD1 4.32Å; F126-L190 HydrophobicContact CD2-CD2 4.12Å; L129-L190 HydrophobicContact CD1-CB 4.45Å; V157-L190 HydrophobicContact CG1-CD2 3.91Å; V157-L190 HydrophobicContact CG1-CG 4.46Å; V157-L190 HydrophobicContact CG2-CD2 4.33Å; L161-L190 HydrophobicContact CD1-CD2 4.5Å; L186-L190 HydrophobicContact CD1-CD1 4.13Å; L186-L190 HydrophobicContact CD1-CG 4.35Å; L186-L190 HydrophobicContact CG-CD1 4.24Å; L186-L190 WeakPolarHBondContact O-CG 3.27Å; L186-L190 PolarHBondContact O-N 3.24Å; L187-L190 PolarHBondContact O-N 2.91Å; V188-L190 VanDerWaalsContact C-N 3.33Å; V188-L190 PolarHBondContact O-N 2.86Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.42Å; L190-H193 PolarHBondContact O-N 2.86Å; L190-F194 HydrophobicContact CD2-CD2 4.2Å; L190-F194 HydrophobicContact CD2-CE2 3.83Å; L190-F194 WeakPolarHBondContact O-CD2 3.4Å; L190-F194 PolarHBondContact O-N 2.99Å |
| 191 | A | 93.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.8 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W97 L187 V188 Q195 A196 I198 | W97-A191 HydrophobicContact CD2-CB 4.47Å; W97-A191 HydrophobicContact CE3-CB 4.13Å; W97-A191 HydrophobicContact CH2-CB 3.76Å; W97-A191 HydrophobicContact CZ2-CB 4.13Å; W97-A191 HydrophobicContact CZ3-CB 3.76Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 3.24Å; V188-A191 PolarHBondContact O-N 3.45Å; A191-Q195 PolarHBondContact O-N 2.87Å; A191-Q195 VanDerWaalsContact O-N 3.15Å; A191-A196 HydrophobicContact CB-CB 4.01Å; A191-A196 WeakPolarHBondContact O-CB 3.41Å; A191-A196 PolarHBondContact O-N 3.36Å; A191-I198 HydrophobicContact CB-CD1 3.99Å |
| 192 | M | 88 | Confident | 91.3 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.5 | -41.9 | 178.3 | -65.1 | -56.7 | -56.6 | 0 | 0 | 112.2 | W166 V188 L190 Q195 L200 M234 L235 F238 | W166-M192 HydrophobicContact CH2-CB 3.69Å; W166-M192 HydrophobicContact CH2-CG 4.15Å; W166-M192 HydrophobicContact CZ2-CB 3.73Å; V188-M192 HydrophobicContact CG1-CG 4.25Å; V188-M192 WeakPolarHBondContact O-CB 3.37Å; V188-M192 WeakPolarHBondContact O-CG 3.35Å; V188-M192 PolarHBondContact O-N 3.38Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.42Å; M192-Q195 PolarHBondContact O-N 2.84Å; M192-L200 HydrophobicContact CG-CD1 3.99Å; M192-L200 HydrophobicContact SD-CD1 3.59Å; M192-L200 VanDerWaalsContact SD-CD1 3.59Å; M192-M234 HydrophobicContact CE-CB 3.28Å; M192-M234 HydrophobicContact CG-CB 4.22Å; M192-M234 HydrophobicContact SD-CB 4.08Å; M192-M234 HydrophobicContact SD-CE 4.35Å; M192-M234 HydrophobicContact SD-SD 4.48Å; M192-L235 HydrophobicContact CE-CB 4.39Å; M192-L235 HydrophobicContact CE-CD2 3.59Å; M192-L235 HydrophobicContact CE-CG 3.54Å; M192-F238 WeakPolarHBondContact O-CE2 3.26Å |
| 193 | H | 87.3 | Confident | 91.1 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | -179.7 | -178.9 | 77.6 | 0 | 0 | 0 | 113.6 | T160 L161 H164 A189 L190 Q195 F238 | T160-H193 VanDerWaalsContact CG2-NE2 3.32Å; T160-H193 WeakPolarHBondContact CG2-NE2 3.5Å; L161-H193 HydrophobicContact CD2-CB 3.38Å; H164-H193 AromaticContact CE1-CE1 3.53Å; H164-H193 AromaticContact CG-CE1 3.85Å; H164-H193 AromaticContact ND1-CE1 3.45Å; H164-H193 PolarHBondContact ND1-CE1 2.98Å; H164-H193 AromaticContact NE2-CE1 3.94Å; A189-H193 WeakPolarHBondContact O-CB 3.4Å; A189-H193 PolarHBondContact O-N 3.48Å; L190-H193 PolarHBondContact O-N 2.86Å; H193-Q195 PolarHBondContact O-N 3.07Å; H193-F238 HydrophobicContact CB-CE1 4.39Å; H193-F238 HydrophobicContact CB-CZ 4.02Å; H193-F238 AromaticContact ND1-CE1 3.41Å; H193-F238 WeakPolarHBondContact ND1-CE1 3.45Å; H193-F238 AromaticContact ND1-CZ 3.94Å |
| 194 | F | 88.5 | Confident | 90.9 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 23% | 0.228 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 8.1 | 178.6 | -68.6 | -76 | 0 | 0 | 0 | 112.9 | F126 L129 T160 L190 A196 | F126-F194 HydrophobicContact CD2-CE2 4.39Å; F126-F194 HydrophobicContact CE2-CE2 4.36Å; F126-F194 HydrophobicContact CE2-CZ 4.22Å; L129-F194 HydrophobicContact CB-CB 4.25Å; L129-F194 HydrophobicContact CB-CD1 3.95Å; L129-F194 HydrophobicContact CB-CD2 3.73Å; L129-F194 HydrophobicContact CB-CE1 4.2Å; L129-F194 HydrophobicContact CB-CE2 3.98Å; L129-F194 HydrophobicContact CB-CG 3.71Å; L129-F194 HydrophobicContact CB-CZ 4.2Å; L129-F194 HydrophobicContact CD1-CB 4.4Å; L129-F194 HydrophobicContact CD1-CD2 3.79Å; L129-F194 HydrophobicContact CD1-CE2 4.4Å; L129-F194 HydrophobicContact CD1-CG 4.26Å; L129-F194 HydrophobicContact CD2-CB 4.12Å; L129-F194 HydrophobicContact CD2-CG 4.49Å; L129-F194 HydrophobicContact CG-CB 4.49Å; L129-F194 HydrophobicContact CG-CD2 4.31Å; L129-F194 HydrophobicContact CG-CG 4.38Å; L129-F194 WeakPolarHBondContact O-CD1 3.3Å; L129-F194 WeakPolarHBondContact O-CE1 3.29Å; T160-F194 HydrophobicContact CG2-CZ 4.09Å; L190-F194 HydrophobicContact CD2-CD2 4.2Å; L190-F194 HydrophobicContact CD2-CE2 3.83Å; L190-F194 WeakPolarHBondContact O-CD2 3.4Å; L190-F194 PolarHBondContact O-N 2.99Å; F194-A196 VanDerWaalsContact C-N 3.28Å; F194-A196 PolarHBondContact O-N 3.19Å |
| 195 | Q | 85.3 | Confident | 90.8 | Very high | 83 Ų | 83 | 35.4 Ų | 35.4 | 39% | 0.388 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46.6 | 179 | -55.5 | -172.9 | -56.9 | 0 | 0 | 112.6 | A191 M192 H193 K336 R338 | A191-Q195 PolarHBondContact O-N 2.87Å; A191-Q195 VanDerWaalsContact O-N 3.15Å; M192-Q195 PolarHBondContact O-N 2.84Å; H193-Q195 PolarHBondContact O-N 3.07Å; Q195-K336 PolarHBondContact NE2-O 3.12Å; Q195-R338 HydrophobicContact CB-CG 4.31Å |
| 196 | A | 86.1 | Confident | 90.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | trans | -49.6 | 142.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | W97 A191 F194 I198 R338 | W97-A196 HydrophobicContact CD2-CB 4.35Å; W97-A196 HydrophobicContact CZ2-CB 3.78Å; A191-A196 HydrophobicContact CB-CB 4.01Å; A191-A196 WeakPolarHBondContact O-CB 3.41Å; A191-A196 PolarHBondContact O-N 3.36Å; F194-A196 VanDerWaalsContact C-N 3.28Å; F194-A196 PolarHBondContact O-N 3.19Å; A196-I198 HydrophobicContact CB-CD1 4.22Å; A196-I198 HydrophobicContact CB-CG1 3.89Å; A196-I198 PolarHBondContact O-N 2.96Å; A196-R338 PolarHBondContact O-NH1 3.05Å | ||
| 197 | P | 80.9 | Confident | 90.7 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 49% | 0.494 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -77.1 | 50 | -177.8 | 34.2 | -37.2 | 0 | 0 | 0 | 111.6 | ||
| 198 | I | 86 | Confident | 90.4 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | trans | -131.8 | 153.5 | -177.6 | 66 | 174.3 | 0 | 0 | 0 | 110.8 | V93 W97 A191 A196 L200 R338 | V93-I198 HydrophobicContact CG1-CB 4.34Å; V93-I198 HydrophobicContact CG1-CD1 4.18Å; W97-I198 HydrophobicContact CB-CD1 3.74Å; W97-I198 HydrophobicContact CB-CG2 3.87Å; W97-I198 HydrophobicContact CD2-CD1 3.84Å; W97-I198 HydrophobicContact CE3-CD1 4.21Å; W97-I198 HydrophobicContact CG-CD1 3.6Å; W97-I198 HydrophobicContact CG-CG1 4.48Å; W97-I198 HydrophobicContact CG-CG2 3.91Å; A191-I198 HydrophobicContact CB-CD1 3.99Å; A196-I198 HydrophobicContact CB-CD1 4.22Å; A196-I198 HydrophobicContact CB-CG1 3.89Å; A196-I198 PolarHBondContact O-N 2.96Å; I198-L200 HydrophobicContact CD1-CD2 3.76Å; I198-L200 HydrophobicContact CD1-CG 4.49Å; I198-L200 HydrophobicContact CG1-CD2 4.34Å; I198-R338 PolarHBondContact O-NH1 3.2Å | ||
| 199 | R | 84.9 | Confident | 90.2 | Very high | 168 Ų | 168 | 38.7 Ų | 38.7 | 63% | 0.634 | 19% | 0.19 | S | C | * | . | trans | -106 | 105.6 | 174.6 | -172.1 | 176.8 | -179.8 | -143.3 | 0 | 109.8 | ||||
| 200 | L | 90.8 | Very high | 90 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 138.2 | 174.1 | -60.1 | 178.5 | 0 | 0 | 0 | 110.1 | L90 V93 L94 V188 M192 I198 E202 T228 | L90-L200 HydrophobicContact CD1-CB 4.44Å; L90-L200 HydrophobicContact CD1-CD2 3.91Å; V93-L200 HydrophobicContact CG1-CD2 4.1Å; L94-L200 HydrophobicContact CD2-CD2 3.85Å; L94-L200 HydrophobicContact CG-CD2 4.49Å; V188-L200 HydrophobicContact CG1-CD1 3.99Å; V188-L200 HydrophobicContact CG2-CD1 4.34Å; M192-L200 HydrophobicContact CG-CD1 3.99Å; M192-L200 HydrophobicContact SD-CD1 3.59Å; M192-L200 VanDerWaalsContact SD-CD1 3.59Å; I198-L200 HydrophobicContact CD1-CD2 3.76Å; I198-L200 HydrophobicContact CD1-CG 4.49Å; I198-L200 HydrophobicContact CG1-CD2 4.34Å; L200-E202 PolarHBondContact O-N 2.82Å; L200-T228 HydrophobicContact CB-CG2 4.49Å |
| 201 | P | 91.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 13% | 0.13 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 136.1 | 171.1 | -24.6 | 34.9 | 0 | 0 | 0 | 111.2 | D89 L90 V204 T228 | D89-P201 HydrophobicContact CB-CG 4.3Å; D89-P201 VanDerWaalsContact OD2-CG 3.27Å; D89-P201 WeakPolarHBondContact OD2-CG 3.17Å; L90-P201 HydrophobicContact CB-CG 4.23Å; P201-V204 HydrophobicContact CB-CG2 3.84Å; P201-V204 WeakPolarHBondContact O-CG2 3.2Å; P201-T228 VanDerWaalsContact O-CB 3.29Å; P201-T228 WeakPolarHBondContact O-CB 3.44Å; P201-T228 PolarHBondContact O-OG1 3.13Å |
| 202 | E | 89.8 | Confident | 89.3 | Confident | 65 Ų | 65 | 42.8 Ų | 42.8 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -87.5 | 149.3 | -177.4 | -59.7 | -171.9 | 153 | 0 | 0 | 112.5 | K86 L200 V204 S229 T231 | K86-E202 PolarHBondContact NZ-O 3.37Å; L200-E202 PolarHBondContact O-N 2.82Å; E202-V204 PolarHBondContact O-N 2.79Å; E202-S229 WeakPolarHBondContact CA-O 3.47Å; E202-S229 WeakPolarHBondContact CB-O 3.37Å; E202-T231 WeakPolarHBondContact OE1-CB 3.49Å; E202-T231 PolarHBondContact OE1-N 3.33Å; E202-T231 PolarHBondContact OE1-OG1 2.69Å |
| 203 | H | 90.8 | Very high | 89.1 | Confident | 98 Ų | 98 | 45 Ų | 45 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 56.5 | 44.3 | 177.5 | -54.9 | -71.3 | 0 | 0 | 0 | 113.6 | T205 T228 T230 | H203-T205 PolarHBondContact O-N 2.99Å; H203-T228 VanDerWaalsContact CA-O 3.27Å; H203-T228 WeakPolarHBondContact CA-O 3.41Å; H203-T228 PolarHBondContact N-O 3.5Å; H203-T228 PolarHBondContact N-OG1 2.95Å; H203-T230 WeakPolarHBondContact NE2-CG2 3.44Å |
| 204 | V | 95.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | trans | -82.4 | 114.9 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | K86 F87 L90 P201 E202 L227 T228 | K86-V204 HydrophobicContact CB-CG2 4.29Å; F87-V204 HydrophobicContact CB-CG1 4.21Å; F87-V204 HydrophobicContact CD2-CG1 4.21Å; L90-V204 HydrophobicContact CB-CG2 4.36Å; L90-V204 HydrophobicContact CD2-CB 4.11Å; L90-V204 HydrophobicContact CD2-CG1 3.92Å; L90-V204 HydrophobicContact CD2-CG2 4.26Å; P201-V204 HydrophobicContact CB-CG2 3.84Å; P201-V204 WeakPolarHBondContact O-CG2 3.2Å; E202-V204 PolarHBondContact O-N 2.79Å; V204-L227 HydrophobicContact CB-CB 4.44Å; V204-L227 HydrophobicContact CG1-CB 4.47Å; V204-L227 HydrophobicContact CG1-CD1 4.1Å; V204-L227 PolarHBondContact O-N 3.45Å; V204-T228 VanDerWaalsContact CB-OG1 3.29Å; V204-T228 WeakPolarHBondContact CB-OG1 3.45Å; V204-T228 VanDerWaalsContact CG2-OG1 3.28Å; V204-T228 WeakPolarHBondContact CG2-OG1 3.4Å; V204-T228 PolarHBondContact N-O 3.27Å; V204-T228 PolarHBondContact N-OG1 3.17Å; V204-T228 PolarHBondContact O-N 3.15Å | ||
| 205 | T | 94.9 | Very high | 88.8 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.8 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | H203 A224 K225 | H203-T205 PolarHBondContact O-N 2.99Å; T205-A224 HydrophobicContact CG2-CB 4.12Å; T205-K225 WeakPolarHBondContact CA-O 3.37Å |
| 206 | V | 95.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 147.1 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | L77 F87 V181 V208 K225 L227 | L77-V206 HydrophobicContact CD1-CB 3.77Å; L77-V206 HydrophobicContact CD1-CG1 4.19Å; L77-V206 HydrophobicContact CD1-CG2 4.04Å; F87-V206 HydrophobicContact CB-CG1 4.13Å; F87-V206 HydrophobicContact CD1-CG1 4.4Å; F87-V206 HydrophobicContact CD2-CG1 3.57Å; F87-V206 HydrophobicContact CE2-CG1 4.06Å; F87-V206 HydrophobicContact CG-CG1 3.76Å; V181-V206 HydrophobicContact CG2-CG2 4.24Å; V206-V208 HydrophobicContact CG2-CG1 4.27Å; V206-K225 HydrophobicContact CG2-CB 4.25Å; V206-K225 PolarHBondContact N-O 2.83Å; V206-K225 PolarHBondContact O-N 2.97Å; V206-L227 HydrophobicContact CB-CD1 4.49Å; V206-L227 HydrophobicContact CG1-CD1 3.77Å; V206-L227 HydrophobicContact CG2-CD1 3.88Å; V206-L227 HydrophobicContact CG2-CD2 4.13Å; V206-L227 HydrophobicContact CG2-CG 4Å |
| 207 | Q | 94.3 | Very high | 88.3 | Confident | 73 Ų | 73 | 59 Ų | 59 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 132.8 | 169 | -59.2 | -67.7 | 75.9 | 0 | 0 | 108.8 | D78 S81 V222 | D78-Q207 HydrophobicContact CB-CB 3.83Å; D78-Q207 WeakPolarHBondContact CB-O 3.25Å; D78-Q207 PolarHBondContact N-O 3.45Å; S81-Q207 WeakPolarHBondContact OG-CB 3.41Å; S81-Q207 PolarHBondContact OG-N 2.99Å; Q207-V222 HydrophobicContact CB-CG1 4.1Å |
| 208 | V | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.5 | 172.4 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | I75 M76 V181 V206 V210 V222 V223 K225 | I75-V208 HydrophobicContact CG2-CB 3.65Å; I75-V208 HydrophobicContact CG2-CG1 4.09Å; I75-V208 HydrophobicContact CG2-CG2 3.74Å; M76-V208 CarbonylContact O-C 3.6Å; M76-V208 VanDerWaalsContact O-CA 3.25Å; M76-V208 WeakPolarHBondContact O-CA 3.44Å; M76-V208 WeakPolarHBondContact O-CB 3.29Å; V181-V208 HydrophobicContact CG1-CG1 4.31Å; V181-V208 HydrophobicContact CG2-CG1 3.88Å; V206-V208 HydrophobicContact CG2-CG1 4.27Å; V208-V210 HydrophobicContact CG2-CG2 4.22Å; V208-V222 CarbonylContact O-C 3.57Å; V208-V222 WeakPolarHBondContact O-CA 3.5Å; V208-V223 HydrophobicContact CG2-CB 4.14Å; V208-V223 WeakPolarHBondContact CG2-O 3.34Å; V208-V223 PolarHBondContact N-O 2.94Å; V208-V223 PolarHBondContact O-N 2.88Å; V208-K225 HydrophobicContact CG1-CG 4.42Å; V208-K225 HydrophobicContact CG2-CD 4.22Å; V208-K225 HydrophobicContact CG2-CG 3.88Å |
| 209 | V | 90.2 | Very high | 88.6 | Confident | 37 Ų | 37 | 63 Ų | 63 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.7 | 171.8 | -174 | 0 | 0 | 0 | 0 | 107.7 | I75 M76 V211 A221 V222 | I75-V209 WeakPolarHBondContact CA-O 3.16Å; M76-V209 PolarHBondContact N-O 2.94Å; M76-V209 PolarHBondContact O-N 3.43Å; V209-V211 HydrophobicContact CG1-CG2 4.09Å; V209-A221 CarbonylContact C-O 3.29Å; V209-A221 WeakPolarHBondContact CA-O 3.48Å; V209-V222 HydrophobicContact CG2-CG2 4.43Å |
| 210 | V | 88.6 | Confident | 88.8 | Confident | 20 Ų | 20 | 60 Ų | 60 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.4 | 174.4 | -175 | 0 | 0 | 0 | 0 | 107.9 | E73 R74 I75 V208 T220 A221 V223 | E73-V210 HydrophobicContact CG-CG1 3.65Å; E73-V210 VanDerWaalsContact OE1-CG1 3.25Å; E73-V210 WeakPolarHBondContact OE1-CG1 3.3Å; R74-V210 WeakPolarHBondContact O-CA 3.18Å; I75-V210 HydrophobicContact CG1-CG2 4.34Å; V208-V210 HydrophobicContact CG2-CG2 4.22Å; V210-T220 CarbonylContact O-C 3.59Å; V210-T220 WeakPolarHBondContact O-CA 3.46Å; V210-A221 PolarHBondContact N-O 3.49Å; V210-A221 PolarHBondContact O-N 3.24Å; V210-V223 HydrophobicContact CG2-CB 4.37Å; V210-V223 HydrophobicContact CG2-CG2 3.91Å |
| 211 | V | 87.8 | Confident | 88.7 | Confident | 21 Ų | 21 | 62 Ų | 62 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.4 | 176.3 | -170.9 | 0 | 0 | 0 | 0 | 108.2 | L68 E73 R74 V209 L218 Q219 T220 | L68-V211 HydrophobicContact CD1-CB 4.04Å; L68-V211 HydrophobicContact CD1-CG1 3.57Å; E73-V211 WeakPolarHBondContact CA-O 3.42Å; R74-V211 PolarHBondContact N-O 3.4Å; R74-V211 PolarHBondContact O-N 3.36Å; V209-V211 HydrophobicContact CG1-CG2 4.09Å; V211-L218 HydrophobicContact CG1-CB 4.3Å; V211-L218 HydrophobicContact CG1-CD2 4.14Å; V211-Q219 CarbonylContact C-O 3.48Å; V211-Q219 WeakPolarHBondContact CA-O 3.44Å; V211-T220 HydrophobicContact CG1-CG2 4.2Å; V211-T220 HydrophobicContact CG2-CG2 4.14Å |
| 212 | K | 86.3 | Confident | 88.6 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 22% | 0.222 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.8 | 178.6 | -172 | 166 | -169.9 | 150.3 | 0 | 110.7 | A72 E73 R214 Q219 | A72-K212 WeakPolarHBondContact O-CA 3.19Å; E73-K212 IonicContact OE2-NZ 2.6Å; K212-R214 HydrophobicContact CD-CG 4.49Å; K212-R214 HydrophobicContact CG-CG 4.23Å; K212-Q219 PolarHBondContact N-O 3.15Å; K212-Q219 PolarHBondContact O-N 3.02Å |
| 213 | K | 83.6 | Confident | 88.7 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.1 | 173.7 | -168.8 | 174.3 | 173.9 | 177.2 | 0 | 110.3 | L68 N71 A72 I217 L218 | L68-K213 HydrophobicContact CB-CB 4.11Å; L68-K213 HydrophobicContact CB-CD 4.31Å; L68-K213 WeakPolarHBondContact O-CD 3.44Å; L68-K213 PolarHBondContact O-NZ 3.42Å; N71-K213 VanDerWaalsContact CA-O 3.23Å; N71-K213 WeakPolarHBondContact CA-O 3.39Å; N71-K213 PolarHBondContact N-O 2.93Å; A72-K213 PolarHBondContact O-N 3.26Å; K213-I217 CarbonylContact C-O 3.6Å; K213-I217 WeakPolarHBondContact CA-O 3.34Å; K213-L218 HydrophobicContact CB-CD2 3.88Å; K213-L218 HydrophobicContact CD-CD2 4.42Å; K213-L218 HydrophobicContact CG-CD2 4.1Å |
| 214 | R | 84.7 | Confident | 88.8 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.6 | 172.7 | -65.4 | -167.3 | -171.7 | -167.9 | 3.4 | 110.2 | E70 K212 G216 I217 | E70-R214 WeakPolarHBondContact OE1-CA 3.27Å; K212-R214 HydrophobicContact CD-CG 4.49Å; K212-R214 HydrophobicContact CG-CG 4.23Å; R214-G216 PolarHBondContact O-N 3.48Å; R214-I217 PolarHBondContact N-O 3.32Å; R214-I217 WeakPolarHBondContact O-CB 3.48Å; R214-I217 PolarHBondContact O-N 3.03Å |
| 215 | E | 85.3 | Confident | 88.7 | Confident | 180 Ų | 180 | 64.9 Ų | 64.9 | 84% | 0.841 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38.4 | -177.4 | -57.5 | 179 | 171.2 | 0 | 0 | 112.1 | E70 I217 | E70-E215 WeakPolarHBondContact OE1-CA 3.31Å; E70-E215 PolarHBondContact OE1-N 3.34Å; E215-I217 PolarHBondContact O-N 3.42Å |
| 216 | G | 79.5 | Confident | 88.6 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 52% | 0.515 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | -0.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E70 R214 | E70-G216 PolarHBondContact OE2-N 2.79Å; E70-G216 VanDerWaalsContact OE2-N 3.14Å; R214-G216 PolarHBondContact O-N 3.48Å |
| 217 | I | 82.6 | Confident | 88.4 | Confident | 114 Ų | 114 | 67.5 Ų | 67.5 | 59% | 0.585 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.6 | 179 | -54 | 178 | 0 | 0 | 0 | 110 | K213 R214 E215 Q219 | K213-I217 CarbonylContact C-O 3.6Å; K213-I217 WeakPolarHBondContact CA-O 3.34Å; R214-I217 PolarHBondContact N-O 3.32Å; R214-I217 WeakPolarHBondContact O-CB 3.48Å; R214-I217 PolarHBondContact O-N 3.03Å; E215-I217 PolarHBondContact O-N 3.42Å; I217-Q219 PolarHBondContact O-N 3.04Å |
| 218 | L | 86.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 47% | 0.466 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116 | 171.4 | -63 | 179.7 | 0 | 0 | 0 | 109.9 | L68 V211 K213 | L68-L218 HydrophobicContact CB-CD2 4.31Å; L68-L218 HydrophobicContact CD1-CD2 3.82Å; V211-L218 HydrophobicContact CG1-CB 4.3Å; V211-L218 HydrophobicContact CG1-CD2 4.14Å; K213-L218 HydrophobicContact CB-CD2 3.88Å; K213-L218 HydrophobicContact CD-CD2 4.42Å; K213-L218 HydrophobicContact CG-CD2 4.1Å |
| 219 | Q | 86.9 | Confident | 87.9 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 45% | 0.453 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.6 | 169.9 | -62.7 | -177.2 | -9.4 | 0 | 0 | 108.5 | V211 K212 I217 | V211-Q219 CarbonylContact C-O 3.48Å; V211-Q219 WeakPolarHBondContact CA-O 3.44Å; K212-Q219 PolarHBondContact N-O 3.15Å; K212-Q219 PolarHBondContact O-N 3.02Å; I217-Q219 PolarHBondContact O-N 3.04Å |
| 220 | T | 87.7 | Confident | 87.3 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.2 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | V210 V211 | V210-T220 CarbonylContact O-C 3.59Å; V210-T220 WeakPolarHBondContact O-CA 3.46Å; V211-T220 HydrophobicContact CG1-CG2 4.2Å; V211-T220 HydrophobicContact CG2-CG2 4.14Å |
| 221 | A | 88.9 | Confident | 86.3 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.6 | V209 V210 V223 | V209-A221 CarbonylContact C-O 3.29Å; V209-A221 WeakPolarHBondContact CA-O 3.48Å; V210-A221 PolarHBondContact N-O 3.49Å; V210-A221 PolarHBondContact O-N 3.24Å; A221-V223 HydrophobicContact CB-CG2 4.47Å |
| 222 | V | 90.1 | Very high | 85.1 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.1 | 170.6 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | Q207 V208 V209 | Q207-V222 HydrophobicContact CB-CG1 4.1Å; V208-V222 CarbonylContact O-C 3.57Å; V208-V222 WeakPolarHBondContact O-CA 3.5Å; V209-V222 HydrophobicContact CG2-CG2 4.43Å |
| 223 | V | 92.2 | Very high | 84.1 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.7 | -175.7 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | V208 V210 A221 | V208-V223 HydrophobicContact CG2-CB 4.14Å; V208-V223 WeakPolarHBondContact CG2-O 3.34Å; V208-V223 PolarHBondContact N-O 2.94Å; V208-V223 PolarHBondContact O-N 2.88Å; V210-V223 HydrophobicContact CG2-CB 4.37Å; V210-V223 HydrophobicContact CG2-CG2 3.91Å; A221-V223 HydrophobicContact CB-CG2 4.47Å |
| 224 | A | 93.1 | Very high | 83.3 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | T205 | T205-A224 HydrophobicContact CG2-CB 4.12Å |
| 225 | K | 92.4 | Very high | 82.3 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 13% | 0.13 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.4 | 174.8 | -78.7 | -147.6 | -179.6 | -163.7 | 0 | 110.3 | E169 V181 Y185 T205 V206 V208 | E169-K225 IonicContact OE2-NZ 3.58Å; E169-K225 PolarHBondContact OE2-NZ 3.43Å; V181-K225 HydrophobicContact CG1-CD 4.14Å; Y185-K225 HydrophobicContact CE2-CB 4.4Å; Y185-K225 HydrophobicContact CE2-CD 3.72Å; Y185-K225 WeakPolarHBondContact OH-CB 3.27Å; T205-K225 WeakPolarHBondContact CA-O 3.37Å; V206-K225 HydrophobicContact CG2-CB 4.25Å; V206-K225 PolarHBondContact N-O 2.83Å; V206-K225 PolarHBondContact O-N 2.97Å; V208-K225 HydrophobicContact CG1-CG 4.42Å; V208-K225 HydrophobicContact CG2-CD 4.22Å; V208-K225 HydrophobicContact CG2-CG 3.88Å |
| 226 | E | 92.6 | Very high | 80.8 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.3 | 173.4 | -173.8 | 178.9 | 97 | 0 | 0 | 109.2 | Y185 T228 S229 | Y185-E226 VanDerWaalsContact CE1-O 3.29Å; Y185-E226 WeakPolarHBondContact CE1-O 3.43Å; Y185-E226 PolarHBondContact OH-O 2.96Å; E226-T228 WeakPolarHBondContact CG-O 3.25Å; E226-S229 WeakPolarHBondContact OE1-CB 3.35Å |
| 227 | L | 92.3 | Very high | 79.6 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | trans | -89.6 | -37.5 | -178.8 | -57.7 | 178.6 | 0 | 0 | 0 | 111.7 | F87 L90 V181 V184 Y185 V204 V206 | F87-L227 HydrophobicContact CD2-CD1 3.46Å; F87-L227 VanDerWaalsContact CD2-CD1 3.46Å; F87-L227 HydrophobicContact CE2-CD1 3.38Å; L90-L227 HydrophobicContact CD2-CB 4.05Å; L90-L227 HydrophobicContact CD2-CD1 4.08Å; V181-L227 HydrophobicContact CG1-CD2 4.05Å; V184-L227 HydrophobicContact CG1-CD1 4.06Å; Y185-L227 HydrophobicContact CD1-CD2 4.42Å; Y185-L227 HydrophobicContact CD2-CD2 3.95Å; Y185-L227 HydrophobicContact CE1-CD2 4.06Å; Y185-L227 HydrophobicContact CE2-CD2 3.53Å; Y185-L227 HydrophobicContact CG-CD2 4.37Å; V204-L227 HydrophobicContact CB-CB 4.44Å; V204-L227 HydrophobicContact CG1-CB 4.47Å; V204-L227 HydrophobicContact CG1-CD1 4.1Å; V204-L227 PolarHBondContact O-N 3.45Å; V206-L227 HydrophobicContact CB-CD1 4.49Å; V206-L227 HydrophobicContact CG1-CD1 3.77Å; V206-L227 HydrophobicContact CG2-CD1 3.88Å; V206-L227 HydrophobicContact CG2-CD2 4.13Å; V206-L227 HydrophobicContact CG2-CG 4Å | ||
| 228 | T | 90.8 | Very high | 78.2 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | trans | -135.9 | 146.6 | 177.1 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | L90 V188 L200 P201 H203 V204 E226 M234 | L90-T228 HydrophobicContact CD1-CG2 3.97Å; L90-T228 HydrophobicContact CD2-CG2 3.93Å; V188-T228 HydrophobicContact CG1-CG2 4.37Å; V188-T228 HydrophobicContact CG2-CG2 4.25Å; L200-T228 HydrophobicContact CB-CG2 4.49Å; P201-T228 VanDerWaalsContact O-CB 3.29Å; P201-T228 WeakPolarHBondContact O-CB 3.44Å; P201-T228 PolarHBondContact O-OG1 3.13Å; H203-T228 VanDerWaalsContact CA-O 3.27Å; H203-T228 WeakPolarHBondContact CA-O 3.41Å; H203-T228 PolarHBondContact N-O 3.5Å; H203-T228 PolarHBondContact N-OG1 2.95Å; V204-T228 VanDerWaalsContact CB-OG1 3.29Å; V204-T228 WeakPolarHBondContact CB-OG1 3.45Å; V204-T228 VanDerWaalsContact CG2-OG1 3.28Å; V204-T228 WeakPolarHBondContact CG2-OG1 3.4Å; V204-T228 PolarHBondContact N-O 3.27Å; V204-T228 PolarHBondContact N-OG1 3.17Å; V204-T228 PolarHBondContact O-N 3.15Å; E226-T228 WeakPolarHBondContact CG-O 3.25Å; T228-M234 HydrophobicContact CG2-SD 4.19Å | ||
| 229 | S | 84.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | trans | -113.9 | -149.2 | 170.6 | 67.8 | 0 | 0 | 0 | 0 | 109.7 | E202 E226 M233 M234 | E202-S229 WeakPolarHBondContact CA-O 3.47Å; E202-S229 WeakPolarHBondContact CB-O 3.37Å; E226-S229 WeakPolarHBondContact OE1-CB 3.35Å; S229-M233 WeakPolarHBondContact OG-CB 3.5Å; S229-M234 PolarHBondContact N-SD 2.95Å; S229-M234 VanDerWaalsContact N-SD 3.41Å; S229-M234 WeakPolarHBondContact O-CE 3.25Å; S229-M234 VanDerWaalsContact OG-CG 3.26Å; S229-M234 WeakPolarHBondContact OG-CG 3.41Å | ||
| 230 | T | 76.4 | Confident | 75.3 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | trans | -72.9 | 147.8 | 171.6 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | H203 E232 M233 M234 | H203-T230 WeakPolarHBondContact NE2-CG2 3.44Å; T230-E232 PolarHBondContact O-N 3.1Å; T230-E232 VanDerWaalsContact O-N 3.14Å; T230-M233 PolarHBondContact O-N 2.96Å; T230-M233 WeakPolarHBondContact OG1-CB 3.22Å; T230-M233 WeakPolarHBondContact OG1-CG 3.39Å; T230-M233 PolarHBondContact OG1-N 3.3Å; T230-M234 WeakPolarHBondContact O-CG 3.41Å; T230-M234 PolarHBondContact O-N 3.42Å | ||
| 231 | T | 68.9 | Low | 74.1 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52 | -39.5 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | E202 M234 L235 | E202-T231 WeakPolarHBondContact OE1-CB 3.49Å; E202-T231 PolarHBondContact OE1-N 3.33Å; E202-T231 PolarHBondContact OE1-OG1 2.69Å; T231-M234 PolarHBondContact O-N 3.3Å; T231-L235 HydrophobicContact CG2-CD1 3.74Å; T231-L235 HydrophobicContact CG2-CG 4.34Å; T231-L235 VanDerWaalsContact O-CB 3.29Å; T231-L235 WeakPolarHBondContact O-CB 3.4Å; T231-L235 VanDerWaalsContact O-CG 3.26Å; T231-L235 WeakPolarHBondContact O-CG 3.36Å; T231-L235 PolarHBondContact O-N 2.85Å |
| 232 | E | 62.8 | Low | 72.9 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.1 | -175.3 | 174.6 | -165.2 | 0 | 0 | 113.5 | T230 G236 K348 | T230-E232 PolarHBondContact O-N 3.1Å; T230-E232 VanDerWaalsContact O-N 3.14Å; E232-G236 WeakPolarHBondContact O-CA 3.15Å; E232-G236 PolarHBondContact O-N 2.95Å; E232-K348 HydrophobicContact CG-CD 4.38Å; E232-K348 WeakPolarHBondContact OE1-CD 3.48Å; E232-K348 WeakPolarHBondContact OE1-CE 3.49Å; E232-K348 IonicContact OE1-NZ 2.85Å; E232-K348 PolarHBondContact OE1-NZ 3.37Å |
| 233 | M | 64.1 | Low | 71.9 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 61% | 0.606 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.6 | -33.4 | 177.9 | -75 | -179.8 | 76.5 | 0 | 0 | 112.4 | S229 T230 | S229-M233 WeakPolarHBondContact OG-CB 3.5Å; T230-M233 PolarHBondContact O-N 2.96Å; T230-M233 WeakPolarHBondContact OG1-CB 3.22Å; T230-M233 WeakPolarHBondContact OG1-CG 3.39Å; T230-M233 PolarHBondContact OG1-N 3.3Å |
| 234 | M | 67.8 | Low | 70.8 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.3 | -37.3 | 176.9 | -62.5 | -171.5 | -71.7 | 0 | 0 | 111.5 | M192 T228 S229 T230 T231 | M192-M234 HydrophobicContact CE-CB 3.28Å; M192-M234 HydrophobicContact CG-CB 4.22Å; M192-M234 HydrophobicContact SD-CB 4.08Å; M192-M234 HydrophobicContact SD-CE 4.35Å; M192-M234 HydrophobicContact SD-SD 4.48Å; T228-M234 HydrophobicContact CG2-SD 4.19Å; S229-M234 PolarHBondContact N-SD 2.95Å; S229-M234 VanDerWaalsContact N-SD 3.41Å; S229-M234 WeakPolarHBondContact O-CE 3.25Å; S229-M234 VanDerWaalsContact OG-CG 3.26Å; S229-M234 WeakPolarHBondContact OG-CG 3.41Å; T230-M234 WeakPolarHBondContact O-CG 3.41Å; T230-M234 PolarHBondContact O-N 3.42Å; T231-M234 PolarHBondContact O-N 3.3Å |
| 235 | L | 63.2 | Low | 69.9 | Low | 33 Ų | 33 | 56.8 Ų | 56.8 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -77.4 | -30.4 | 173.2 | -70.3 | 172.3 | 0 | 0 | 0 | 113 | M192 T231 R237 F238 | M192-L235 HydrophobicContact CE-CB 4.39Å; M192-L235 HydrophobicContact CE-CD2 3.59Å; M192-L235 HydrophobicContact CE-CG 3.54Å; T231-L235 HydrophobicContact CG2-CD1 3.74Å; T231-L235 HydrophobicContact CG2-CG 4.34Å; T231-L235 VanDerWaalsContact O-CB 3.29Å; T231-L235 WeakPolarHBondContact O-CB 3.4Å; T231-L235 VanDerWaalsContact O-CG 3.26Å; T231-L235 WeakPolarHBondContact O-CG 3.36Å; T231-L235 PolarHBondContact O-N 2.85Å; L235-R237 PolarHBondContact O-N 3.2Å; L235-R237 VanDerWaalsContact O-N 3.12Å; L235-F238 WeakPolarHBondContact O-CD2 3.43Å; L235-F238 PolarHBondContact O-N 2.99Å |
| 236 | G | 53.1 | Low | 68.9 | Low | 21 Ų | 21 | 57.2 Ų | 57.2 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E232 F238 | E232-G236 WeakPolarHBondContact O-CA 3.15Å; E232-G236 PolarHBondContact O-N 2.95Å; G236-F238 VanDerWaalsContact C-N 3.27Å |
| 237 | R | 55.2 | Low | 67.8 | Low | 110 Ų | 110 | 54.3 Ų | 54.3 | 42% | 0.415 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -16.4 | 166 | -62.8 | -167.8 | -164.3 | -133.1 | 7.8 | 112.4 | L235 | L235-R237 PolarHBondContact O-N 3.2Å; L235-R237 VanDerWaalsContact O-N 3.12Å |
| 238 | F | 52.8 | Low | 66.8 | Low | 44 Ų | 44 | 58.1 Ų | 58.1 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -85.3 | 131.3 | 167.6 | -55.1 | -64.9 | 0 | 0 | 0 | 108.5 | H164 W166 M192 H193 L235 G236 R240 | H164-F238 HydrophobicContact CB-CD1 4.33Å; H164-F238 HydrophobicContact CB-CE1 4.03Å; W166-F238 HydrophobicContact CZ2-CE2 4.34Å; W166-F238 AromaticContact CZ2-CZ 3.86Å; W166-F238 HydrophobicContact CZ2-CZ 3.86Å; W166-F238 AromaticContact NE1-CE1 3.83Å; W166-F238 AromaticContact NE1-CZ 3.58Å; M192-F238 WeakPolarHBondContact O-CE2 3.26Å; H193-F238 HydrophobicContact CB-CE1 4.39Å; H193-F238 HydrophobicContact CB-CZ 4.02Å; H193-F238 AromaticContact ND1-CE1 3.41Å; H193-F238 WeakPolarHBondContact ND1-CE1 3.45Å; H193-F238 AromaticContact ND1-CZ 3.94Å; L235-F238 WeakPolarHBondContact O-CD2 3.43Å; L235-F238 PolarHBondContact O-N 2.99Å; G236-F238 VanDerWaalsContact C-N 3.27Å; F238-R240 PolarHBondContact O-N 3.17Å |
| 239 | E | 52.7 | Low | 66 | Low | 161 Ų | 161 | 64.8 Ų | 64.8 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | trans | -6.1 | 102.2 | -175.9 | -80.9 | -176.5 | 155 | 0 | 0 | 114.3 | D241 | E239-D241 PolarHBondContact O-N 3.44Š| ||
| 240 | R | 58.8 | Low | 65.5 | Low | 179 Ų | 179 | 65.4 Ų | 65.4 | 68% | 0.675 | 33% | 0.334 | S | S | * | . | trans | -51.8 | 114.6 | 169.8 | -74.7 | -170.5 | 178.8 | -177.5 | -3.6 | 108.5 | F238 D244 | F238-R240 PolarHBondContact O-N 3.17Å; R240-D244 WeakPolarHBondContact CA-OD2 3.41Å; R240-D244 HydrophobicContact CB-CB 4.24Å; R240-D244 HydrophobicContact CG-CB 4.4Å | ||
| 241 | D | 62.5 | Low | 65.4 | Low | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.214 | 35% | 0.348 | C | S | . | . | trans | -87.6 | 171 | 177.5 | 67.3 | 20.1 | 0 | 0 | 0 | 110.4 | E239 F243 D244 T245 R352 | E239-D241 PolarHBondContact O-N 3.44Å; D241-F243 PolarHBondContact O-N 2.77Å; D241-F243 VanDerWaalsContact OD1-CA 3.3Å; D241-F243 WeakPolarHBondContact OD1-CA 3.3Å; D241-F243 WeakPolarHBondContact OD1-CB 3.5Å; D241-F243 PolarHBondContact OD1-N 2.88Å; D241-D244 PolarHBondContact N-OD2 3.08Å; D241-D244 WeakPolarHBondContact O-CB 3.48Å; D241-D244 PolarHBondContact O-N 2.86Å; D241-D244 VanDerWaalsContact O-N 3.09Å; D241-D244 PolarHBondContact OD1-N 2.77Å; D241-T245 PolarHBondContact O-N 3.17Å; D241-R352 IonicContact OD1-CZ 3.36Å; D241-R352 IonicContact OD1-NE 2.79Å; D241-R352 IonicContact OD1-NH2 3.17Å; D241-R352 PolarHBondContact OD1-NH2 3.36Å; D241-R352 IonicContact OD2-CZ 3.86Å; D241-R352 IonicContact OD2-NE 2.54Å; D241-R352 PolarHBondContact OD2-NE 2.91Å; D241-R352 IonicContact OD2-NH2 2.79Å; D241-R352 PolarHBondContact OD2-NH2 3.34Å; D241-R352 VanDerWaalsContact OD2-NH2 3.17Å | ||
| 242 | A | 64.4 | Low | 65.8 | Low | 87 Ų | 87 | 72.9 Ų | 72.9 | 72% | 0.719 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.9 | -21.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L246 | A242-L246 VanDerWaalsContact O-CB 3.3Å; A242-L246 WeakPolarHBondContact O-CB 3.47Å; A242-L246 PolarHBondContact O-N 3.04Å; A242-L246 VanDerWaalsContact O-N 3.09Å |
| 243 | F | 68.1 | Low | 66.6 | Low | 15 Ų | 15 | 75.4 Ų | 75.4 | 7% | 0.066 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.9 | -40.9 | 177.7 | -128.6 | -88.1 | 0 | 0 | 0 | 111.8 | D241 T245 L246 L247 L254 V257 L351 R352 Y355 | D241-F243 PolarHBondContact O-N 2.77Å; D241-F243 VanDerWaalsContact OD1-CA 3.3Å; D241-F243 WeakPolarHBondContact OD1-CA 3.3Å; D241-F243 WeakPolarHBondContact OD1-CB 3.5Å; D241-F243 PolarHBondContact OD1-N 2.88Å; F243-T245 VanDerWaalsContact C-N 3.32Å; F243-T245 PolarHBondContact O-N 3.4Å; F243-L246 PolarHBondContact O-N 2.95Å; F243-L247 HydrophobicContact CD1-CD1 3.87Å; F243-L247 HydrophobicContact CD1-CG 4.44Å; F243-L247 HydrophobicContact CE1-CD1 4.42Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 PolarHBondContact O-N 3.42Å; F243-L254 HydrophobicContact CE1-CD1 4.35Å; F243-V257 HydrophobicContact CE2-CG1 4.33Å; F243-V257 HydrophobicContact CZ-CG1 4.03Å; F243-L351 HydrophobicContact CD1-CB 4.47Å; F243-L351 HydrophobicContact CE1-CB 3.41Å; F243-L351 VanDerWaalsContact CE1-CB 3.41Å; F243-L351 HydrophobicContact CE1-CD1 3.69Å; F243-L351 HydrophobicContact CE1-CG 4.19Å; F243-L351 HydrophobicContact CZ-CB 3.49Å; F243-L351 VanDerWaalsContact CZ-CB 3.49Å; F243-L351 HydrophobicContact CZ-CD1 4.11Å; F243-L351 HydrophobicContact CZ-CG 4.34Å; F243-R352 HydrophobicContact CB-CG 4.38Å; F243-R352 HydrophobicContact CD1-CG 4.48Å; F243-R352 HydrophobicContact CG-CG 4.26Å; F243-Y355 HydrophobicContact CE2-CD1 4.47Å; F243-Y355 HydrophobicContact CE2-CD2 4.31Å; F243-Y355 HydrophobicContact CE2-CG 4.02Å |
| 244 | D | 70.9 | Confident | 67.5 | Low | 9 Ų | 9 | 70.4 Ų | 70.4 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 172.4 | -62 | -60.7 | 0 | 0 | 0 | 111 | R240 D241 L246 L247 D248 K348 R352 | R240-D244 WeakPolarHBondContact CA-OD2 3.41Å; R240-D244 HydrophobicContact CB-CB 4.24Å; R240-D244 HydrophobicContact CG-CB 4.4Å; D241-D244 PolarHBondContact N-OD2 3.08Å; D241-D244 WeakPolarHBondContact O-CB 3.48Å; D241-D244 PolarHBondContact O-N 2.86Å; D241-D244 VanDerWaalsContact O-N 3.09Å; D241-D244 PolarHBondContact OD1-N 2.77Å; D244-L246 VanDerWaalsContact C-N 3.35Å; D244-L246 PolarHBondContact O-N 2.69Å; D244-L247 PolarHBondContact O-N 3.1Å; D244-D248 WeakPolarHBondContact O-CB 3.3Å; D244-D248 VanDerWaalsContact O-CG 3.26Å; D244-D248 PolarHBondContact O-N 3.43Å; D244-K348 WeakPolarHBondContact OD1-CE 3.41Å; D244-K348 IonicContact OD1-NZ 2.84Å; D244-K348 PolarHBondContact OD1-NZ 3.35Å; D244-R352 IonicContact OD1-CZ 2.59Å; D244-R352 IonicContact OD1-NH2 2.92Å; D244-R352 PolarHBondContact OD1-NH2 2.88Å; D244-R352 IonicContact OD2-NH2 3.67Å; D244-R352 PolarHBondContact OD2-NH2 3.34Å |
| 245 | T | 72.9 | Confident | 68.3 | Low | 77 Ų | 77 | 74.4 Ų | 74.4 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | -179 | -55.3 | 0 | 0 | 0 | 0 | 112 | D241 F243 H249 | D241-T245 PolarHBondContact O-N 3.17Å; F243-T245 VanDerWaalsContact C-N 3.32Å; F243-T245 PolarHBondContact O-N 3.4Å; T245-H249 WeakPolarHBondContact O-CB 3.42Å; T245-H249 PolarHBondContact O-N 2.87Å; T245-H249 PolarHBondContact O-ND1 3.3Å |
| 246 | L | 71.9 | Confident | 69.4 | Low | 38 Ų | 38 | 77.8 Ų | 77.8 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 179.8 | -171.9 | 149.9 | 0 | 0 | 0 | 111.8 | A242 F243 D244 A250 K253 L254 V257 | A242-L246 VanDerWaalsContact O-CB 3.3Å; A242-L246 WeakPolarHBondContact O-CB 3.47Å; A242-L246 PolarHBondContact O-N 3.04Å; A242-L246 VanDerWaalsContact O-N 3.09Å; F243-L246 PolarHBondContact O-N 2.95Å; D244-L246 VanDerWaalsContact C-N 3.35Å; D244-L246 PolarHBondContact O-N 2.69Å; L246-A250 CarbonylContact O-C 3.59Å; L246-A250 VanDerWaalsContact O-C 3.26Å; L246-A250 WeakPolarHBondContact O-CA 3.44Å; L246-A250 PolarHBondContact O-N 2.98Å; L246-K253 HydrophobicContact CD1-CB 4.33Å; L246-K253 HydrophobicContact CG-CB 4.3Å; L246-L254 HydrophobicContact CD2-CB 3.84Å; L246-L254 HydrophobicContact CD2-CD1 3.8Å; L246-L254 HydrophobicContact CD2-CG 4.46Å; L246-V257 HydrophobicContact CD1-CG2 4.11Å |
| 247 | L | 69.9 | Low | 71 | Confident | 42 Ų | 42 | 78.1 Ų | 78.1 | 22% | 0.22 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.4 | -81.5 | 158.8 | 0 | 0 | 0 | 112.1 | F243 D244 L254 K348 | F243-L247 HydrophobicContact CD1-CD1 3.87Å; F243-L247 HydrophobicContact CD1-CG 4.44Å; F243-L247 HydrophobicContact CE1-CD1 4.42Å; F243-L247 WeakPolarHBondContact O-CB 3.4Å; F243-L247 PolarHBondContact O-N 3.42Å; D244-L247 PolarHBondContact O-N 3.1Å; L247-L254 HydrophobicContact CD2-CD1 3.78Å; L247-L254 HydrophobicContact CD2-CD2 3.56Å; L247-L254 HydrophobicContact CD2-CG 4.3Å; L247-L254 HydrophobicContact CG-CD1 4.25Å; L247-K348 HydrophobicContact CD1-CB 3.96Å; L247-K348 HydrophobicContact CD1-CD 3.61Å; L247-K348 HydrophobicContact CD1-CG 3.49Å; L247-K348 VanDerWaalsContact CD1-CG 3.49Å |
| 248 | D | 70.3 | Confident | 72.7 | Confident | 89 Ų | 89 | 74.5 Ų | 74.5 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.2 | -35.4 | -174.7 | -70.9 | -12.2 | 0 | 0 | 0 | 113.2 | D244 | D244-D248 WeakPolarHBondContact O-CB 3.3Å; D244-D248 VanDerWaalsContact O-CG 3.26Å; D244-D248 PolarHBondContact O-N 3.43Å |
| 249 | H | 73.4 | Confident | 74.6 | Confident | 142 Ų | 142 | 76.5 Ų | 76.5 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -122.5 | -5.3 | -166.4 | -56.9 | 84.4 | 0 | 0 | 0 | 114.6 | T245 | T245-H249 WeakPolarHBondContact O-CB 3.42Å; T245-H249 PolarHBondContact O-N 2.87Å; T245-H249 PolarHBondContact O-ND1 3.3Å |
| 250 | A | 76.1 | Confident | 76.5 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | trans | -146.2 | 62.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L246 D252 K253 L254 | L246-A250 CarbonylContact O-C 3.59Å; L246-A250 VanDerWaalsContact O-C 3.26Å; L246-A250 WeakPolarHBondContact O-CA 3.44Å; L246-A250 PolarHBondContact O-N 2.98Å; A250-D252 PolarHBondContact O-N 3.41Å; A250-K253 HydrophobicContact CB-CB 3.99Å; A250-K253 HydrophobicContact CB-CD 3.85Å; A250-K253 HydrophobicContact CB-CG 3.97Å; A250-K253 WeakPolarHBondContact O-CB 3.43Å; A250-K253 PolarHBondContact O-N 3.3Å; A250-L254 PolarHBondContact O-N 2.96Å | ||
| 251 | P | 74.5 | Confident | 78.2 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 51% | 0.506 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -32.6 | -179.9 | 24.2 | -34.3 | 0 | 0 | 0 | 113 | K253 L254 N255 | P251-K253 VanDerWaalsContact C-N 3.3Å; P251-K253 PolarHBondContact O-N 3.07Å; P251-L254 VanDerWaalsContact O-CB 3.28Å; P251-L254 WeakPolarHBondContact O-CB 3.19Å; P251-L254 PolarHBondContact O-N 3.3Å; P251-L254 VanDerWaalsContact O-N 3.16Å; P251-N255 PolarHBondContact O-N 3.41Å |
| 252 | D | 77.4 | Confident | 79.8 | Confident | 131 Ų | 131 | 62.8 Ų | 62.8 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.2 | -34.7 | 176.3 | -59.8 | -38.4 | 0 | 0 | 0 | 112.3 | A250 L254 | A250-D252 PolarHBondContact O-N 3.41Å; D252-L254 VanDerWaalsContact C-N 3.34Å |
| 253 | K | 78.9 | Confident | 81.3 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.9 | -29.3 | 175.7 | -64.7 | -173.9 | -176.9 | 176.3 | 0 | 111.7 | L246 A250 P251 N255 V256 V257 | L246-K253 HydrophobicContact CD1-CB 4.33Å; L246-K253 HydrophobicContact CG-CB 4.3Å; A250-K253 HydrophobicContact CB-CB 3.99Å; A250-K253 HydrophobicContact CB-CD 3.85Å; A250-K253 HydrophobicContact CB-CG 3.97Å; A250-K253 WeakPolarHBondContact O-CB 3.43Å; A250-K253 PolarHBondContact O-N 3.3Å; P251-K253 VanDerWaalsContact C-N 3.3Å; P251-K253 PolarHBondContact O-N 3.07Å; K253-N255 VanDerWaalsContact C-N 3.33Å; K253-N255 PolarHBondContact O-N 3.32Å; K253-V256 WeakPolarHBondContact O-CB 3.46Å; K253-V256 PolarHBondContact O-N 2.95Å; K253-V257 WeakPolarHBondContact O-CG2 3.4Å; K253-V257 PolarHBondContact O-N 3.22Å |
| 254 | L | 82.2 | Confident | 82.6 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.5 | -174.8 | 68.6 | 0 | 0 | 0 | 111.5 | F243 L246 L247 A250 P251 D252 V256 V257 K258 L351 | F243-L254 HydrophobicContact CE1-CD1 4.35Å; L246-L254 HydrophobicContact CD2-CB 3.84Å; L246-L254 HydrophobicContact CD2-CD1 3.8Å; L246-L254 HydrophobicContact CD2-CG 4.46Å; L247-L254 HydrophobicContact CD2-CD1 3.78Å; L247-L254 HydrophobicContact CD2-CD2 3.56Å; L247-L254 HydrophobicContact CD2-CG 4.3Å; L247-L254 HydrophobicContact CG-CD1 4.25Å; A250-L254 PolarHBondContact O-N 2.96Å; P251-L254 VanDerWaalsContact O-CB 3.28Å; P251-L254 WeakPolarHBondContact O-CB 3.19Å; P251-L254 PolarHBondContact O-N 3.3Å; P251-L254 VanDerWaalsContact O-N 3.16Å; D252-L254 VanDerWaalsContact C-N 3.34Å; L254-V256 VanDerWaalsContact C-N 3.28Å; L254-V256 PolarHBondContact O-N 3.44Å; L254-V257 PolarHBondContact O-N 3.35Å; L254-V257 VanDerWaalsContact O-N 3.15Å; L254-K258 WeakPolarHBondContact O-CG 3.23Å; L254-K258 PolarHBondContact O-N 3Å; L254-L351 HydrophobicContact CD1-CD1 3.76Å |
| 255 | N | 84.9 | Confident | 83.8 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 178.5 | -70.6 | -30.1 | 0 | 0 | 0 | 112.3 | P251 K253 K258 T259 | P251-N255 PolarHBondContact O-N 3.41Å; K253-N255 VanDerWaalsContact C-N 3.33Å; K253-N255 PolarHBondContact O-N 3.32Å; N255-K258 PolarHBondContact O-N 2.91Å; N255-T259 WeakPolarHBondContact O-CB 3.45Å; N255-T259 PolarHBondContact O-N 3.49Å; N255-T259 PolarHBondContact O-OG1 3.39Å |
| 256 | V | 86.8 | Confident | 85 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 62% | 0.624 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65 | -44.7 | 173.5 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | K253 L254 T259 S260 | K253-V256 WeakPolarHBondContact O-CB 3.46Å; K253-V256 PolarHBondContact O-N 2.95Å; L254-V256 VanDerWaalsContact C-N 3.28Å; L254-V256 PolarHBondContact O-N 3.44Å; V256-T259 PolarHBondContact O-N 3.28Å; V256-S260 WeakPolarHBondContact O-CB 3.41Å; V256-S260 PolarHBondContact O-N 2.94Å |
| 257 | V | 87.1 | Confident | 86.1 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 17% | 0.17 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | F243 L246 K253 L254 T259 S260 L261 | F243-V257 HydrophobicContact CE2-CG1 4.33Å; F243-V257 HydrophobicContact CZ-CG1 4.03Å; L246-V257 HydrophobicContact CD1-CG2 4.11Å; K253-V257 WeakPolarHBondContact O-CG2 3.4Å; K253-V257 PolarHBondContact O-N 3.22Å; L254-V257 PolarHBondContact O-N 3.35Å; L254-V257 VanDerWaalsContact O-N 3.15Å; V257-T259 VanDerWaalsContact C-N 3.35Å; V257-T259 PolarHBondContact O-N 2.96Å; V257-S260 WeakPolarHBondContact O-CB 3.46Å; V257-S260 PolarHBondContact O-N 2.88Å; V257-L261 HydrophobicContact CG1-CD1 3.94Å; V257-L261 HydrophobicContact CG1-CG 4.3Å; V257-L261 WeakPolarHBondContact O-CG 3.39Å; V257-L261 PolarHBondContact O-N 2.85Å |
| 258 | K | 90.9 | Very high | 87.3 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 176.3 | -72.3 | -176.9 | -178.8 | -171.5 | 0 | 111.6 | L254 N255 S260 L261 I262 L279 E280 L351 | L254-K258 WeakPolarHBondContact O-CG 3.23Å; L254-K258 PolarHBondContact O-N 3Å; N255-K258 PolarHBondContact O-N 2.91Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-S260 PolarHBondContact O-N 3.24Å; K258-L261 PolarHBondContact O-N 2.97Å; K258-I262 WeakPolarHBondContact O-CG1 3.41Å; K258-I262 PolarHBondContact O-N 2.86Å; K258-L279 HydrophobicContact CB-CD1 4.25Å; K258-L279 HydrophobicContact CG-CD1 4.37Å; K258-E280 WeakPolarHBondContact CE-OE1 3.46Å; K258-E280 IonicContact NZ-OE1 2.63Å; K258-E280 PolarHBondContact NZ-OE1 2.85Å; K258-L351 HydrophobicContact CG-CD1 4.49Å; K258-L351 HydrophobicContact CG-CD2 4.11Å |
| 259 | T | 92.2 | Very high | 88.5 | Confident | 85 Ų | 85 | 56 Ų | 56 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 179.3 | -54 | 0 | 0 | 0 | 0 | 111.4 | N255 V256 V257 I262 T263 | N255-T259 WeakPolarHBondContact O-CB 3.45Å; N255-T259 PolarHBondContact O-N 3.49Å; N255-T259 PolarHBondContact O-OG1 3.39Å; V256-T259 PolarHBondContact O-N 3.28Å; V257-T259 VanDerWaalsContact C-N 3.35Å; V257-T259 PolarHBondContact O-N 2.96Å; T259-I262 PolarHBondContact O-N 3.47Å; T259-T263 WeakPolarHBondContact O-CB 3.5Å; T259-T263 PolarHBondContact O-N 3.27Å; T259-T263 PolarHBondContact O-OG1 2.94Å |
| 260 | S | 92.6 | Very high | 89.5 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | V256 V257 K258 T263 F264 | V256-S260 WeakPolarHBondContact O-CB 3.41Å; V256-S260 PolarHBondContact O-N 2.94Å; V257-S260 WeakPolarHBondContact O-CB 3.46Å; V257-S260 PolarHBondContact O-N 2.88Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-S260 PolarHBondContact O-N 3.24Å; S260-T263 PolarHBondContact O-N 3.31Å; S260-F264 WeakPolarHBondContact O-CB 3.4Å; S260-F264 PolarHBondContact O-N 2.95Å |
| 261 | L | 94.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.1 | -42.6 | 177.7 | -69.7 | 176.6 | 0 | 0 | 0 | 111.7 | V257 K258 T263 F264 V265 L279 L351 L354 Y355 F358 | V257-L261 HydrophobicContact CG1-CD1 3.94Å; V257-L261 HydrophobicContact CG1-CG 4.3Å; V257-L261 WeakPolarHBondContact O-CG 3.39Å; V257-L261 PolarHBondContact O-N 2.85Å; K258-L261 PolarHBondContact O-N 2.97Å; L261-T263 VanDerWaalsContact C-N 3.28Å; L261-T263 PolarHBondContact O-N 3.16Å; L261-F264 WeakPolarHBondContact O-CB 3.48Å; L261-F264 PolarHBondContact O-N 3.23Å; L261-V265 WeakPolarHBondContact O-CG1 3.43Å; L261-V265 WeakPolarHBondContact O-CG2 3.04Å; L261-V265 PolarHBondContact O-N 2.88Å; L261-L279 HydrophobicContact CB-CD1 3.8Å; L261-L279 HydrophobicContact CD1-CD1 4.31Å; L261-L351 HydrophobicContact CD1-CD2 3.66Å; L261-L354 HydrophobicContact CD1-CB 4.16Å; L261-L354 HydrophobicContact CD2-CB 4.29Å; L261-Y355 HydrophobicContact CD2-CD2 4.48Å; L261-F358 HydrophobicContact CD2-CB 3.61Å; L261-F358 HydrophobicContact CD2-CG 4.03Å |
| 262 | I | 95.7 | Very high | 91.2 | Very high | 41 Ų | 41 | 57.5 Ų | 57.5 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.1 | -46.5 | 172.9 | -72.5 | 169.7 | 0 | 0 | 0 | 110.3 | K258 T259 F264 V265 N266 V276 L279 | K258-I262 WeakPolarHBondContact O-CG1 3.41Å; K258-I262 PolarHBondContact O-N 2.86Å; T259-I262 PolarHBondContact O-N 3.47Å; I262-F264 VanDerWaalsContact C-N 3.33Å; I262-F264 PolarHBondContact O-N 2.86Å; I262-V265 WeakPolarHBondContact O-CG2 3.5Å; I262-V265 PolarHBondContact O-N 3.18Å; I262-N266 VanDerWaalsContact O-CB 3.28Å; I262-N266 WeakPolarHBondContact O-CB 3.31Å; I262-N266 PolarHBondContact O-N 3.4Å; I262-N266 PolarHBondContact O-ND2 2.84Å; I262-V276 WeakPolarHBondContact CG2-O 3.49Å; I262-L279 HydrophobicContact CD1-CG 4.24Å; I262-L279 HydrophobicContact CG1-CD1 4.03Å; I262-L279 HydrophobicContact CG1-CD2 3.65Å; I262-L279 HydrophobicContact CG1-CG 3.68Å |
| 263 | T | 95.4 | Very high | 92 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 179.3 | -56 | 0 | 0 | 0 | 0 | 111.1 | T259 S260 L261 K267 | T259-T263 WeakPolarHBondContact O-CB 3.5Å; T259-T263 PolarHBondContact O-N 3.27Å; T259-T263 PolarHBondContact O-OG1 2.94Å; S260-T263 PolarHBondContact O-N 3.31Å; L261-T263 VanDerWaalsContact C-N 3.28Å; L261-T263 PolarHBondContact O-N 3.16Å; T263-K267 PolarHBondContact O-N 3.27Å |
| 264 | F | 95.8 | Very high | 92.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -53.9 | 176.3 | 166.4 | -106.4 | 0 | 0 | 0 | 112.2 | S260 L261 I262 N266 K267 H268 L296 L357 F358 | S260-F264 WeakPolarHBondContact O-CB 3.4Å; S260-F264 PolarHBondContact O-N 2.95Å; L261-F264 WeakPolarHBondContact O-CB 3.48Å; L261-F264 PolarHBondContact O-N 3.23Å; I262-F264 VanDerWaalsContact C-N 3.33Å; I262-F264 PolarHBondContact O-N 2.86Å; F264-N266 VanDerWaalsContact C-N 3.3Å; F264-N266 PolarHBondContact O-N 2.81Å; F264-K267 VanDerWaalsContact O-CB 3.26Å; F264-K267 WeakPolarHBondContact O-CB 3.4Å; F264-K267 PolarHBondContact O-N 3.12Å; F264-K267 VanDerWaalsContact O-N 3.13Å; F264-H268 AromaticContact CD2-NE2 3.93Å; F264-H268 AromaticContact CE2-CD2 3.83Å; F264-H268 AromaticContact CE2-NE2 3.49Å; F264-H268 WeakPolarHBondContact CE2-NE2 3.35Å; F264-H268 PolarHBondContact O-CD2 2.68Å; F264-H268 VanDerWaalsContact O-CD2 3.25Å; F264-L296 HydrophobicContact CE2-CD2 4.26Å; F264-L296 HydrophobicContact CZ-CD1 4.15Å; F264-L296 HydrophobicContact CZ-CD2 3.9Å; F264-L357 HydrophobicContact CE1-CB 4.06Å; F264-L357 HydrophobicContact CZ-CB 4.39Å; F264-F358 HydrophobicContact CB-CD2 3.69Å; F264-F358 HydrophobicContact CB-CE2 4.24Å; F264-F358 HydrophobicContact CD1-CB 4.05Å; F264-F358 HydrophobicContact CD1-CD2 4.22Å; F264-F358 AromaticContact CD2-CD2 3.91Å; F264-F358 HydrophobicContact CD2-CD2 3.91Å; F264-F358 HydrophobicContact CE1-CB 4.23Å; F264-F358 HydrophobicContact CG-CB 4.34Å; F264-F358 AromaticContact CG-CD2 3.67Å; F264-F358 HydrophobicContact CG-CD2 3.67Å |
| 265 | V | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | -177.2 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | L261 I262 K267 H268 L269 V276 F283 L292 L354 | L261-V265 WeakPolarHBondContact O-CG1 3.43Å; L261-V265 WeakPolarHBondContact O-CG2 3.04Å; L261-V265 PolarHBondContact O-N 2.88Å; I262-V265 WeakPolarHBondContact O-CG2 3.5Å; I262-V265 PolarHBondContact O-N 3.18Å; V265-K267 VanDerWaalsContact C-N 3.34Å; V265-K267 PolarHBondContact O-N 3.31Å; V265-H268 PolarHBondContact O-N 3.13Å; V265-H268 VanDerWaalsContact O-N 3.15Å; V265-L269 HydrophobicContact CB-CD1 4.26Å; V265-L269 WeakPolarHBondContact O-CB 3.48Å; V265-L269 PolarHBondContact O-N 3.5Å; V265-V276 HydrophobicContact CG2-CB 3.83Å; V265-V276 HydrophobicContact CG2-CG1 4.11Å; V265-V276 HydrophobicContact CG2-CG2 3.88Å; V265-F283 HydrophobicContact CB-CZ 4.1Å; V265-F283 HydrophobicContact CG1-CZ 3.89Å; V265-F283 HydrophobicContact CG2-CZ 4.12Å; V265-L292 HydrophobicContact CB-CD2 4.39Å; V265-L292 HydrophobicContact CG1-CD2 3.8Å; V265-L354 HydrophobicContact CG1-CD2 4.07Å |
| 266 | N | 96.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.7 | -27.6 | 177.2 | -74.4 | -17.2 | 0 | 0 | 0 | 113 | I262 F264 H268 N270 V276 | I262-N266 VanDerWaalsContact O-CB 3.28Å; I262-N266 WeakPolarHBondContact O-CB 3.31Å; I262-N266 PolarHBondContact O-N 3.4Å; I262-N266 PolarHBondContact O-ND2 2.84Å; F264-N266 VanDerWaalsContact C-N 3.3Å; F264-N266 PolarHBondContact O-N 2.81Å; N266-H268 PolarHBondContact O-N 3.13Å; N266-N270 WeakPolarHBondContact O-CB 3.39Å; N266-N270 PolarHBondContact O-N 3.47Å; N266-N270 VanDerWaalsContact O-N 3.16Å; N266-N270 PolarHBondContact O-ND2 3.26Å; N266-N270 VanDerWaalsContact O-ND2 3.12Å; N266-V276 PolarHBondContact ND2-O 3.01Å; N266-V276 WeakPolarHBondContact OD1-CA 3.24Å; N266-V276 WeakPolarHBondContact OD1-CB 3.47Å; N266-V276 PolarHBondContact OD1-N 2.84Å |
| 267 | K | 95.3 | Very high | 94.2 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.3 | -37.2 | 170.6 | -174.2 | -168.6 | 173.9 | -169.7 | 0 | 111 | T263 F264 V265 S364 D365 | T263-K267 PolarHBondContact O-N 3.27Å; F264-K267 VanDerWaalsContact O-CB 3.26Å; F264-K267 WeakPolarHBondContact O-CB 3.4Å; F264-K267 PolarHBondContact O-N 3.12Å; F264-K267 VanDerWaalsContact O-N 3.13Å; V265-K267 VanDerWaalsContact C-N 3.34Å; V265-K267 PolarHBondContact O-N 3.31Å; K267-S364 PolarHBondContact NZ-O 2.92Å; K267-D365 IonicContact NZ-OD1 3.62Å |
| 268 | H | 95 | Very high | 94.5 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -93.1 | -55.5 | -178.8 | -59.9 | -78.5 | 0 | 0 | 0 | 111.7 | F264 V265 N266 N270 K271 L292 L295 | F264-H268 AromaticContact CD2-NE2 3.93Å; F264-H268 AromaticContact CE2-CD2 3.83Å; F264-H268 AromaticContact CE2-NE2 3.49Å; F264-H268 WeakPolarHBondContact CE2-NE2 3.35Å; F264-H268 PolarHBondContact O-CD2 2.68Å; F264-H268 VanDerWaalsContact O-CD2 3.25Å; V265-H268 PolarHBondContact O-N 3.13Å; V265-H268 VanDerWaalsContact O-N 3.15Å; N266-H268 PolarHBondContact O-N 3.13Å; H268-N270 VanDerWaalsContact C-N 3.27Å; H268-N270 PolarHBondContact O-N 2.93Å; H268-K271 WeakPolarHBondContact O-CB 3.32Å; H268-K271 VanDerWaalsContact O-CG 3.27Å; H268-K271 WeakPolarHBondContact O-CG 3.48Å; H268-K271 PolarHBondContact O-N 3.12Å; H268-L292 HydrophobicContact CB-CD1 3.69Å; H268-L295 HydrophobicContact CB-CB 4.3Å; H268-L295 HydrophobicContact CB-CD1 4.16Å; H268-L295 WeakPolarHBondContact O-CD1 3.39Å |
| 269 | L | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -26.6 | -173 | -70.6 | 174.9 | 0 | 0 | 0 | 113.9 | V265 K271 L272 L274 V276 F283 Y288 L291 L292 L295 | V265-L269 HydrophobicContact CB-CD1 4.26Å; V265-L269 WeakPolarHBondContact O-CB 3.48Å; V265-L269 PolarHBondContact O-N 3.5Å; L269-K271 PolarHBondContact O-N 2.9Å; L269-L272 WeakPolarHBondContact O-CA 3.41Å; L269-L272 PolarHBondContact O-N 2.74Å; L269-L274 CarbonylContact C-O 3.16Å; L269-L274 HydrophobicContact CB-CB 4.13Å; L269-L274 WeakPolarHBondContact CB-O 3.3Å; L269-L274 HydrophobicContact CD2-CD1 4.42Å; L269-L274 PolarHBondContact O-N 3.45Å; L269-L274 VanDerWaalsContact O-N 3.16Å; L269-V276 HydrophobicContact CD1-CG2 3.58Å; L269-F283 HydrophobicContact CD1-CE1 4.5Å; L269-F283 HydrophobicContact CD1-CZ 4.43Å; L269-Y288 HydrophobicContact CD1-CD2 4.13Å; L269-Y288 HydrophobicContact CD1-CG 4.39Å; L269-L291 HydrophobicContact CD2-CB 4.2Å; L269-L292 HydrophobicContact CD2-CB 4.23Å; L269-L292 HydrophobicContact CG-CD1 4.44Å; L269-L295 HydrophobicContact CD2-CD1 4.14Å |
| 270 | N | 95.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -62.9 | -22.3 | 173 | -74.9 | -19.7 | 0 | 0 | 0 | 112.7 | N266 H268 L272 N273 L274 | N266-N270 WeakPolarHBondContact O-CB 3.39Å; N266-N270 PolarHBondContact O-N 3.47Å; N266-N270 VanDerWaalsContact O-N 3.16Å; N266-N270 PolarHBondContact O-ND2 3.26Å; N266-N270 VanDerWaalsContact O-ND2 3.12Å; H268-N270 VanDerWaalsContact C-N 3.27Å; H268-N270 PolarHBondContact O-N 2.93Å; N270-L272 PolarHBondContact O-N 3.35Å; N270-L272 VanDerWaalsContact O-N 3.17Å; N270-N273 PolarHBondContact O-N 3.47Å; N270-L274 PolarHBondContact N-O 2.73Å; N270-L274 PolarHBondContact OD1-O 2.98Å; N270-L274 VanDerWaalsContact OD1-O 3.06Å |
| 271 | K | 93.1 | Very high | 94 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -60.7 | -21.9 | 172 | -59.9 | 177.1 | -176.6 | -179.5 | 0 | 111.6 | H268 L269 D365 | H268-K271 WeakPolarHBondContact O-CB 3.32Å; H268-K271 VanDerWaalsContact O-CG 3.27Å; H268-K271 WeakPolarHBondContact O-CG 3.48Å; H268-K271 PolarHBondContact O-N 3.12Å; L269-K271 PolarHBondContact O-N 2.9Å; K271-D365 PolarHBondContact NZ-O 3.13Å; K271-D365 PolarHBondContact NZ-OXT 3Å |
| 272 | L | 92.9 | Very high | 94 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 40% | 0.403 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -106.3 | 10.3 | 176 | -57.5 | 179.7 | 0 | 0 | 0 | 113.2 | L269 N270 L274 L291 L295 | L269-L272 WeakPolarHBondContact O-CA 3.41Å; L269-L272 PolarHBondContact O-N 2.74Å; N270-L272 PolarHBondContact O-N 3.35Å; N270-L272 VanDerWaalsContact O-N 3.17Å; L272-L274 HydrophobicContact CB-CD1 4.25Å; L272-L274 HydrophobicContact CB-CG 4.25Å; L272-L274 PolarHBondContact O-N 2.77Å; L272-L291 HydrophobicContact CD1-CB 4.15Å; L272-L291 HydrophobicContact CD1-CD1 4.33Å; L272-L291 HydrophobicContact CD1-CD2 4.38Å; L272-L295 HydrophobicContact CD1-CD1 3.83Å; L272-L295 HydrophobicContact CD1-CD2 4.35Å; L272-L295 HydrophobicContact CD1-CG 4.24Å; L272-L295 HydrophobicContact CD2-CD2 4.43Å; L272-L295 HydrophobicContact CG-CD1 4.08Å; L272-L295 HydrophobicContact CG-CD2 4.25Å |
| 273 | N | 93.9 | Very high | 94.1 | Very high | 155 Ų | 155 | 55.4 Ų | 55.4 | 83% | 0.829 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 31.8 | -171.8 | -51.5 | -59.3 | 0 | 0 | 0 | 113.9 | N270 | N270-N273 PolarHBondContact O-N 3.47Š|
| 274 | L | 95 | Very high | 94.1 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | trans | -106.6 | 128.7 | 173.7 | -62.5 | 175.3 | 0 | 0 | 0 | 109.3 | L269 N270 L272 Y288 L291 | L269-L274 CarbonylContact C-O 3.16Å; L269-L274 HydrophobicContact CB-CB 4.13Å; L269-L274 WeakPolarHBondContact CB-O 3.3Å; L269-L274 HydrophobicContact CD2-CD1 4.42Å; L269-L274 PolarHBondContact O-N 3.45Å; L269-L274 VanDerWaalsContact O-N 3.16Å; N270-L274 PolarHBondContact N-O 2.73Å; N270-L274 PolarHBondContact OD1-O 2.98Å; N270-L274 VanDerWaalsContact OD1-O 3.06Å; L272-L274 HydrophobicContact CB-CD1 4.25Å; L272-L274 HydrophobicContact CB-CG 4.25Å; L272-L274 PolarHBondContact O-N 2.77Å; L274-Y288 HydrophobicContact CD1-CD1 4.27Å; L274-Y288 HydrophobicContact CD1-CE1 3.99Å; L274-Y288 HydrophobicContact CD2-CE1 4.1Å; L274-Y288 HydrophobicContact CG-CE1 4.47Å; L274-L291 HydrophobicContact CD1-CD1 3.55Å | ||
| 275 | E | 94.9 | Very high | 94.1 | Very high | 126 Ų | 126 | 53.3 Ų | 53.3 | 59% | 0.589 | 27% | 0.273 | S | S | * | . | trans | -117.7 | 131.2 | 179.5 | -173.8 | 175.2 | -168.2 | 0 | 0 | 110.5 | T277 Q282 | E275-T277 HydrophobicContact CG-CG2 4.47Å; E275-Q282 PolarHBondContact O-NE2 2.86Å | ||
| 276 | V | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | trans | -102.5 | 122.3 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | I262 V265 N266 L269 L279 F283 Y288 | I262-V276 WeakPolarHBondContact CG2-O 3.49Å; V265-V276 HydrophobicContact CG2-CB 3.83Å; V265-V276 HydrophobicContact CG2-CG1 4.11Å; V265-V276 HydrophobicContact CG2-CG2 3.88Å; N266-V276 PolarHBondContact ND2-O 3.01Å; N266-V276 WeakPolarHBondContact OD1-CA 3.24Å; N266-V276 WeakPolarHBondContact OD1-CB 3.47Å; N266-V276 PolarHBondContact OD1-N 2.84Å; L269-V276 HydrophobicContact CD1-CG2 3.58Å; V276-L279 HydrophobicContact CG1-CD2 3.78Å; V276-F283 HydrophobicContact CG1-CE2 3.81Å; V276-F283 HydrophobicContact CG1-CZ 4.37Å; V276-F283 HydrophobicContact CG2-CE2 4.31Å; V276-F283 HydrophobicContact CG2-CZ 4.09Å; V276-Y288 HydrophobicContact CG2-CD2 3.74Å; V276-Y288 HydrophobicContact CG2-CE2 3.91Å | ||
| 277 | T | 93.9 | Very high | 94.1 | Very high | 92 Ų | 92 | 52.8 Ų | 52.8 | 56% | 0.564 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -111.9 | -29.8 | 173.4 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | E275 Q282 | E275-T277 HydrophobicContact CG-CG2 4.47Å; T277-Q282 PolarHBondContact OG1-OE1 3.04Å |
| 278 | E | 92.1 | Very high | 94.2 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | trans | -129.4 | 113.6 | -176.4 | -66.7 | -176.2 | 179 | 0 | 0 | 111.3 | E280 S281 Q282 | E278-E280 VanDerWaalsContact C-N 3.27Å; E278-E280 PolarHBondContact O-N 2.97Å; E278-S281 PolarHBondContact OE2-OG 3.07Å; E278-Q282 WeakPolarHBondContact O-CB 3.48Å; E278-Q282 WeakPolarHBondContact O-CG 3.24Å; E278-Q282 PolarHBondContact O-N 2.86Å; E278-Q282 PolarHBondContact O-OE1 3.45Å | ||
| 279 | L | 91 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.9 | 178.1 | -58.7 | -176.9 | 0 | 0 | 0 | 112 | K258 L261 I262 V276 S281 F283 T350 L351 L354 | K258-L279 HydrophobicContact CB-CD1 4.25Å; K258-L279 HydrophobicContact CG-CD1 4.37Å; L261-L279 HydrophobicContact CB-CD1 3.8Å; L261-L279 HydrophobicContact CD1-CD1 4.31Å; I262-L279 HydrophobicContact CD1-CG 4.24Å; I262-L279 HydrophobicContact CG1-CD1 4.03Å; I262-L279 HydrophobicContact CG1-CD2 3.65Å; I262-L279 HydrophobicContact CG1-CG 3.68Å; V276-L279 HydrophobicContact CG1-CD2 3.78Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 2.91Å; L279-F283 HydrophobicContact CD2-CD2 4.35Å; L279-F283 HydrophobicContact CD2-CE2 3.67Å; L279-T350 WeakPolarHBondContact O-CG2 3.31Å; L279-L351 HydrophobicContact CB-CD2 4.47Å; L279-L351 HydrophobicContact CD1-CD2 3.61Å; L279-L354 HydrophobicContact CB-CD1 4.45Å; L279-L354 HydrophobicContact CD1-CD1 4.3Å; L279-L354 HydrophobicContact CD2-CD1 3.78Å; L279-L354 HydrophobicContact CG-CD1 4.4Å |
| 280 | E | 83.3 | Confident | 94.4 | Very high | 61 Ų | 61 | 50.6 Ų | 50.6 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -34.8 | -177.8 | -70.2 | 68.4 | -165.6 | 0 | 0 | 112.4 | K258 E278 L345 L347 | K258-E280 WeakPolarHBondContact CE-OE1 3.46Å; K258-E280 IonicContact NZ-OE1 2.63Å; K258-E280 PolarHBondContact NZ-OE1 2.85Å; E278-E280 VanDerWaalsContact C-N 3.27Å; E278-E280 PolarHBondContact O-N 2.97Å; E280-L345 WeakPolarHBondContact O-CD2 3.21Å; E280-L347 HydrophobicContact CG-CD1 3.88Å; E280-L347 HydrophobicContact CG-CD2 4.36Å; E280-L347 HydrophobicContact CG-CG 4.5Å |
| 281 | S | 91.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -41.5 | -165.2 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | E278 L279 F283 A284 | E278-S281 PolarHBondContact OE2-OG 3.07Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 2.91Å; S281-F283 PolarHBondContact O-N 2.86Å; S281-F283 VanDerWaalsContact O-N 3.16Å; S281-A284 VanDerWaalsContact O-CB 3.26Å; S281-A284 WeakPolarHBondContact O-CB 3.47Å; S281-A284 PolarHBondContact O-N 3.49Å; S281-A284 VanDerWaalsContact O-N 3.12Å |
| 282 | Q | 95.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -10.3 | -167.9 | -65.2 | -177 | -87.7 | 0 | 0 | 115.1 | E275 T277 E278 Y288 | E275-Q282 PolarHBondContact O-NE2 2.86Å; T277-Q282 PolarHBondContact OG1-OE1 3.04Å; E278-Q282 WeakPolarHBondContact O-CB 3.48Å; E278-Q282 WeakPolarHBondContact O-CG 3.24Å; E278-Q282 PolarHBondContact O-N 2.86Å; E278-Q282 PolarHBondContact O-OE1 3.45Å; Q282-Y288 HydrophobicContact CB-CD2 4.16Å; Q282-Y288 HydrophobicContact CB-CE2 4.1Å |
| 283 | F | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -5 | 174.2 | -69.8 | -80.1 | 0 | 0 | 0 | 113.6 | V265 L269 V276 L279 S281 D285 G286 L289 L292 T350 L354 | V265-F283 HydrophobicContact CB-CZ 4.1Å; V265-F283 HydrophobicContact CG1-CZ 3.89Å; V265-F283 HydrophobicContact CG2-CZ 4.12Å; L269-F283 HydrophobicContact CD1-CE1 4.5Å; L269-F283 HydrophobicContact CD1-CZ 4.43Å; V276-F283 HydrophobicContact CG1-CE2 3.81Å; V276-F283 HydrophobicContact CG1-CZ 4.37Å; V276-F283 HydrophobicContact CG2-CE2 4.31Å; V276-F283 HydrophobicContact CG2-CZ 4.09Å; L279-F283 HydrophobicContact CD2-CD2 4.35Å; L279-F283 HydrophobicContact CD2-CE2 3.67Å; S281-F283 PolarHBondContact O-N 2.86Å; S281-F283 VanDerWaalsContact O-N 3.16Å; F283-D285 PolarHBondContact O-N 3.35Å; F283-G286 PolarHBondContact O-N 2.79Å; F283-G286 VanDerWaalsContact O-N 3.09Å; F283-L289 HydrophobicContact CB-CG 4.32Å; F283-L289 HydrophobicContact CD1-CD2 3.57Å; F283-L289 HydrophobicContact CD1-CG 3.71Å; F283-L289 HydrophobicContact CE1-CD2 4.08Å; F283-L289 HydrophobicContact CG-CD2 4.32Å; F283-L289 HydrophobicContact CG-CG 4.43Å; F283-L292 HydrophobicContact CE1-CD2 4.5Å; F283-T350 HydrophobicContact CB-CG2 3.94Å; F283-T350 HydrophobicContact CD2-CG2 4.28Å; F283-T350 HydrophobicContact CG-CG2 4.37Å; F283-L354 HydrophobicContact CD1-CD2 4.19Å; F283-L354 HydrophobicContact CD2-CD1 3.88Å; F283-L354 HydrophobicContact CD2-CD2 4.5Å; F283-L354 HydrophobicContact CE1-CD2 3.83Å; F283-L354 HydrophobicContact CE2-CD1 3.66Å; F283-L354 HydrophobicContact CE2-CD2 4.17Å; F283-L354 HydrophobicContact CG-CD2 4.5Å; F283-L354 HydrophobicContact CZ-CD1 4.14Å; F283-L354 HydrophobicContact CZ-CD2 3.83Å |
| 284 | A | 95.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S281 V343 L345 | S281-A284 VanDerWaalsContact O-CB 3.26Å; S281-A284 WeakPolarHBondContact O-CB 3.47Å; S281-A284 PolarHBondContact O-N 3.49Å; S281-A284 VanDerWaalsContact O-N 3.12Å; A284-V343 WeakPolarHBondContact O-CA 3.42Å; A284-V343 WeakPolarHBondContact O-CG2 3.35Å; A284-L345 HydrophobicContact CB-CD2 3.48Å; A284-L345 VanDerWaalsContact CB-CD2 3.48Å |
| 285 | D | 96.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -3.2 | 176 | 70.2 | 7.6 | 0 | 0 | 0 | 113.7 | F283 V287 P310 K316 N319 | F283-D285 PolarHBondContact O-N 3.35Å; D285-V287 PolarHBondContact O-N 2.87Å; D285-V287 VanDerWaalsContact O-N 3.16Å; D285-V287 PolarHBondContact OD1-N 3.33Å; D285-P310 HydrophobicContact CB-CG 3.68Å; D285-K316 HydrophobicContact CB-CD 4.49Å; D285-K316 HydrophobicContact CB-CG 4.25Å; D285-N319 VanDerWaalsContact O-CB 3.27Å; D285-N319 WeakPolarHBondContact O-CB 3.46Å; D285-N319 PolarHBondContact O-ND2 2.87Å |
| 286 | G | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 73.1 | -11.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F283 Y288 L289 I290 | F283-G286 PolarHBondContact O-N 2.79Å; F283-G286 VanDerWaalsContact O-N 3.09Å; G286-Y288 PolarHBondContact O-N 3.25Å; G286-L289 PolarHBondContact O-N 3.36Å; G286-I290 WeakPolarHBondContact O-CG1 3.45Å; G286-I290 PolarHBondContact O-N 3.22Å; G286-I290 VanDerWaalsContact O-N 3.08Å |
| 287 | V | 97.4 | Very high | 94.8 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | -175 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | D285 L289 I290 L291 F306 F307 L308 P310 | D285-V287 PolarHBondContact O-N 2.87Å; D285-V287 VanDerWaalsContact O-N 3.16Å; D285-V287 PolarHBondContact OD1-N 3.33Å; V287-L289 VanDerWaalsContact C-N 3.28Å; V287-L289 PolarHBondContact O-N 3.02Å; V287-I290 PolarHBondContact O-N 3.37Å; V287-L291 HydrophobicContact CG1-CD1 3.93Å; V287-L291 HydrophobicContact CG1-CG 4.36Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 2.85Å; V287-F306 HydrophobicContact CG1-CE2 4.33Å; V287-F307 WeakPolarHBondContact CG2-O 3.46Å; V287-L308 HydrophobicContact CG1-CD1 4.07Å; V287-P310 HydrophobicContact CG2-CG 4.25Å |
| 288 | Y | 97.5 | Very high | 94.7 | Very high | 44 Ų | 44 | 33.5 Ų | 33.5 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -31.3 | 179.9 | -77.5 | 19.6 | 0 | 0 | 0 | 112.2 | L269 L274 V276 Q282 G286 L292 | L269-Y288 HydrophobicContact CD1-CD2 4.13Å; L269-Y288 HydrophobicContact CD1-CG 4.39Å; L274-Y288 HydrophobicContact CD1-CD1 4.27Å; L274-Y288 HydrophobicContact CD1-CE1 3.99Å; L274-Y288 HydrophobicContact CD2-CE1 4.1Å; L274-Y288 HydrophobicContact CG-CE1 4.47Å; V276-Y288 HydrophobicContact CG2-CD2 3.74Å; V276-Y288 HydrophobicContact CG2-CE2 3.91Å; Q282-Y288 HydrophobicContact CB-CD2 4.16Å; Q282-Y288 HydrophobicContact CB-CE2 4.1Å; G286-Y288 PolarHBondContact O-N 3.25Å; Y288-L292 WeakPolarHBondContact O-CB 3.18Å; Y288-L292 PolarHBondContact O-N 2.92Å |
| 289 | L | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -45 | 174.7 | -72.7 | 178 | 0 | 0 | 0 | 111.5 | F283 G286 V287 L292 M293 V320 A323 V342 V353 L354 | F283-L289 HydrophobicContact CB-CG 4.32Å; F283-L289 HydrophobicContact CD1-CD2 3.57Å; F283-L289 HydrophobicContact CD1-CG 3.71Å; F283-L289 HydrophobicContact CE1-CD2 4.08Å; F283-L289 HydrophobicContact CG-CD2 4.32Å; F283-L289 HydrophobicContact CG-CG 4.43Å; G286-L289 PolarHBondContact O-N 3.36Å; V287-L289 VanDerWaalsContact C-N 3.28Å; V287-L289 PolarHBondContact O-N 3.02Å; L289-L292 PolarHBondContact O-N 3.03Å; L289-M293 PolarHBondContact O-N 3Å; L289-V320 HydrophobicContact CD1-CG1 4.27Å; L289-A323 HydrophobicContact CB-CB 3.72Å; L289-A323 HydrophobicContact CD1-CB 4.5Å; L289-V342 HydrophobicContact CD1-CG1 4.35Å; L289-V353 HydrophobicContact CD1-CG1 4.39Å; L289-V353 HydrophobicContact CD2-CG1 3.97Å; L289-L354 HydrophobicContact CD2-CD2 3.82Å |
| 290 | I | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 179 | -66.9 | 165.9 | 0 | 0 | 0 | 110.6 | G286 V287 L292 M293 G294 V301 F306 N319 F322 A323 L326 | G286-I290 WeakPolarHBondContact O-CG1 3.45Å; G286-I290 PolarHBondContact O-N 3.22Å; G286-I290 VanDerWaalsContact O-N 3.08Å; V287-I290 PolarHBondContact O-N 3.37Å; I290-L292 VanDerWaalsContact C-N 3.33Å; I290-L292 PolarHBondContact O-N 3.35Å; I290-M293 PolarHBondContact O-N 3.16Å; I290-G294 PolarHBondContact O-N 2.85Å; I290-V301 HydrophobicContact CG2-CB 3.97Å; I290-V301 HydrophobicContact CG2-CG1 3.63Å; I290-V301 HydrophobicContact CG2-CG2 3.82Å; I290-F306 HydrophobicContact CD1-CB 3.5Å; I290-F306 HydrophobicContact CD1-CD1 4.41Å; I290-F306 HydrophobicContact CD1-CD2 3.7Å; I290-F306 HydrophobicContact CD1-CG 3.64Å; I290-F306 HydrophobicContact CG2-CD1 4Å; I290-F306 HydrophobicContact CG2-CD2 4.45Å; I290-F306 HydrophobicContact CG2-CE1 4Å; I290-F306 HydrophobicContact CG2-CE2 4.45Å; I290-F306 HydrophobicContact CG2-CG 4.23Å; I290-F306 HydrophobicContact CG2-CZ 4.23Å; I290-N319 HydrophobicContact CD1-CB 3.82Å; I290-N319 WeakPolarHBondContact CD1-O 3.26Å; I290-F322 HydrophobicContact CD1-CD1 3.88Å; I290-F322 HydrophobicContact CG1-CD1 4.12Å; I290-F322 HydrophobicContact CG2-CD1 4.49Å; I290-F322 HydrophobicContact CG2-CE1 4.37Å; I290-A323 HydrophobicContact CG1-CB 3.87Å; I290-L326 HydrophobicContact CG2-CD1 4.12Å |
| 291 | L | 96.8 | Very high | 95.4 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 18% | 0.183 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 179.8 | -66.2 | 178.6 | 0 | 0 | 0 | 111.5 | L269 L272 L274 V287 M293 G294 L295 F306 | L269-L291 HydrophobicContact CD2-CB 4.2Å; L272-L291 HydrophobicContact CD1-CB 4.15Å; L272-L291 HydrophobicContact CD1-CD1 4.33Å; L272-L291 HydrophobicContact CD1-CD2 4.38Å; L274-L291 HydrophobicContact CD1-CD1 3.55Å; V287-L291 HydrophobicContact CG1-CD1 3.93Å; V287-L291 HydrophobicContact CG1-CG 4.36Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 2.85Å; L291-M293 VanDerWaalsContact C-N 3.35Å; L291-M293 PolarHBondContact O-N 3.33Å; L291-G294 PolarHBondContact O-N 3.49Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.34Å; L291-L295 PolarHBondContact O-N 3.05Å; L291-F306 HydrophobicContact CD2-CZ 4.31Å |
| 292 | L | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 174.3 | 179.7 | 62 | 0 | 0 | 0 | 110.9 | V265 H268 L269 F283 Y288 L289 I290 G294 L295 L296 L354 L357 | V265-L292 HydrophobicContact CB-CD2 4.39Å; V265-L292 HydrophobicContact CG1-CD2 3.8Å; H268-L292 HydrophobicContact CB-CD1 3.69Å; L269-L292 HydrophobicContact CD2-CB 4.23Å; L269-L292 HydrophobicContact CG-CD1 4.44Å; F283-L292 HydrophobicContact CE1-CD2 4.5Å; Y288-L292 WeakPolarHBondContact O-CB 3.18Å; Y288-L292 PolarHBondContact O-N 2.92Å; L289-L292 PolarHBondContact O-N 3.03Å; I290-L292 VanDerWaalsContact C-N 3.33Å; I290-L292 PolarHBondContact O-N 3.35Å; L292-G294 PolarHBondContact O-N 3.18Å; L292-L295 PolarHBondContact O-N 3.45Å; L292-L296 HydrophobicContact CD1-CD1 4.19Å; L292-L296 HydrophobicContact CD1-CD2 4.49Å; L292-L296 HydrophobicContact CD1-CG 4.12Å; L292-L296 HydrophobicContact CG-CD1 3.94Å; L292-L296 HydrophobicContact CG-CG 4.29Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.22Å; L292-L354 HydrophobicContact CD2-CD2 4.28Å; L292-L357 HydrophobicContact CD2-CD1 3.72Å; L292-L357 HydrophobicContact CG-CD1 4.38Å |
| 293 | M | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.8 | -80.5 | -53.9 | -54.3 | 0 | 0 | 112.9 | L289 I290 L291 L295 L296 E297 L326 M327 L357 | L289-M293 PolarHBondContact O-N 3Å; I290-M293 PolarHBondContact O-N 3.16Å; L291-M293 VanDerWaalsContact C-N 3.35Å; L291-M293 PolarHBondContact O-N 3.33Å; M293-L295 VanDerWaalsContact C-N 3.28Å; M293-L295 PolarHBondContact O-N 3.33Å; M293-L296 PolarHBondContact O-N 2.91Å; M293-L296 VanDerWaalsContact O-N 3.17Å; M293-L296 HydrophobicContact SD-CD1 4.39Å; M293-E297 HydrophobicContact CE-CG 4.01Å; M293-E297 PolarHBondContact O-N 3.14Å; M293-L326 HydrophobicContact CB-CB 4.31Å; M293-L326 HydrophobicContact CB-CD1 4.39Å; M293-L326 HydrophobicContact CG-CB 4.44Å; M293-M327 HydrophobicContact CE-CB 4.5Å; M293-M327 HydrophobicContact CE-CG 4.02Å; M293-M327 HydrophobicContact CG-CE 4.03Å; M293-M327 HydrophobicContact CG-CG 3.96Å; M293-M327 HydrophobicContact SD-CE 4.17Å; M293-M327 HydrophobicContact SD-CG 3.46Å; M293-M327 WeakPolarHBondContact SD-CG 3.45Å; M293-L357 HydrophobicContact SD-CD1 4.39Å; M293-L357 HydrophobicContact SD-CD2 3.36Å; M293-L357 WeakPolarHBondContact SD-CD2 3.46Å |
| 294 | G | 94.9 | Very high | 95 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I290 L291 L292 D298 Y299 | I290-G294 PolarHBondContact O-N 2.85Å; L291-G294 PolarHBondContact O-N 3.49Å; L292-G294 PolarHBondContact O-N 3.18Å; G294-D298 WeakPolarHBondContact O-CA 3.22Å; G294-D298 PolarHBondContact O-N 3.31Å; G294-Y299 CarbonylContact C-O 3.58Å; G294-Y299 VanDerWaalsContact C-O 3.29Å; G294-Y299 WeakPolarHBondContact CA-O 3.11Å; G294-Y299 PolarHBondContact O-N 3.02Å |
| 295 | L | 94.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.1 | -32.1 | 176.2 | -68.6 | 169.7 | 0 | 0 | 0 | 113.8 | H268 L269 L272 L291 L292 M293 | H268-L295 HydrophobicContact CB-CB 4.3Å; H268-L295 HydrophobicContact CB-CD1 4.16Å; H268-L295 WeakPolarHBondContact O-CD1 3.39Å; L269-L295 HydrophobicContact CD2-CD1 4.14Å; L272-L295 HydrophobicContact CD1-CD1 3.83Å; L272-L295 HydrophobicContact CD1-CD2 4.35Å; L272-L295 HydrophobicContact CD1-CG 4.24Å; L272-L295 HydrophobicContact CD2-CD2 4.43Å; L272-L295 HydrophobicContact CG-CD1 4.08Å; L272-L295 HydrophobicContact CG-CD2 4.25Å; L291-L295 VanDerWaalsContact O-CG 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.34Å; L291-L295 PolarHBondContact O-N 3.05Å; L292-L295 PolarHBondContact O-N 3.45Å; M293-L295 VanDerWaalsContact C-N 3.28Å; M293-L295 PolarHBondContact O-N 3.33Å |
| 296 | L | 94.9 | Very high | 95 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.8 | -34.3 | 179.9 | -72.6 | 177.7 | 0 | 0 | 0 | 112.4 | F264 L292 M293 L357 Y361 | F264-L296 HydrophobicContact CE2-CD2 4.26Å; F264-L296 HydrophobicContact CZ-CD1 4.15Å; F264-L296 HydrophobicContact CZ-CD2 3.9Å; L292-L296 HydrophobicContact CD1-CD1 4.19Å; L292-L296 HydrophobicContact CD1-CD2 4.49Å; L292-L296 HydrophobicContact CD1-CG 4.12Å; L292-L296 HydrophobicContact CG-CD1 3.94Å; L292-L296 HydrophobicContact CG-CG 4.29Å; L292-L296 VanDerWaalsContact O-CG 3.25Å; L292-L296 WeakPolarHBondContact O-CG 3.45Å; L292-L296 PolarHBondContact O-N 3.22Å; M293-L296 PolarHBondContact O-N 2.91Å; M293-L296 VanDerWaalsContact O-N 3.17Å; M293-L296 HydrophobicContact SD-CD1 4.39Å; L296-L357 HydrophobicContact CD1-CB 4.24Å; L296-L357 HydrophobicContact CD1-CD1 4.36Å; L296-L357 HydrophobicContact CD1-CD2 4.21Å; L296-Y361 HydrophobicContact CB-CD1 3.9Å; L296-Y361 HydrophobicContact CB-CE1 3.97Å; L296-Y361 HydrophobicContact CB-CG 4.19Å; L296-Y361 HydrophobicContact CD1-CD2 3.82Å; L296-Y361 HydrophobicContact CD1-CE2 4.21Å; L296-Y361 HydrophobicContact CD1-CG 4.01Å; L296-Y361 HydrophobicContact CD2-CD1 4.22Å; L296-Y361 HydrophobicContact CD2-CG 3.97Å; L296-Y361 HydrophobicContact CG-CD1 4.45Å; L296-Y361 HydrophobicContact CG-CG 4.27Å |
| 297 | E | 93.9 | Very high | 95 | Very high | 70 Ų | 70 | 52.5 Ų | 52.5 | 33% | 0.327 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.4 | -179.9 | -72.4 | -70.4 | 130 | 0 | 0 | 113.5 | M293 Y299 Y361 | M293-E297 HydrophobicContact CE-CG 4.01Å; M293-E297 PolarHBondContact O-N 3.14Å; E297-Y299 VanDerWaalsContact C-N 3.34Å; E297-Y299 HydrophobicContact CB-CD1 3.3Å; E297-Y299 HydrophobicContact CB-CE1 3.1Å; E297-Y299 HydrophobicContact CB-CG 4.46Å; E297-Y299 HydrophobicContact CG-CD1 4.36Å; E297-Y299 HydrophobicContact CG-CE1 3.72Å; E297-Y299 PolarHBondContact O-N 2.7Å; E297-Y361 VanDerWaalsContact OE1-CE1 3.25Å; E297-Y361 WeakPolarHBondContact OE1-CE1 3.47Å; E297-Y361 VanDerWaalsContact OE1-CZ 3.24Å; E297-Y361 PolarHBondContact OE1-OH 3.38Å |
| 298 | D | 93.1 | Very high | 94.9 | Very high | 157 Ų | 157 | 56.6 Ų | 56.6 | 84% | 0.84 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 42.6 | 179.7 | -161 | 35.3 | 0 | 0 | 0 | 113.9 | G294 | G294-D298 WeakPolarHBondContact O-CA 3.22Å; G294-D298 PolarHBondContact O-N 3.31Å |
| 299 | Y | 93.5 | Very high | 94.8 | Very high | 83 Ų | 83 | 59.8 Ų | 59.8 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | trans | -132.3 | 156.5 | 172.9 | 68.3 | -106.9 | 0 | 0 | 0 | 113.2 | G294 E297 V301 L326 | G294-Y299 CarbonylContact C-O 3.58Å; G294-Y299 VanDerWaalsContact C-O 3.29Å; G294-Y299 WeakPolarHBondContact CA-O 3.11Å; G294-Y299 PolarHBondContact O-N 3.02Å; E297-Y299 VanDerWaalsContact C-N 3.34Å; E297-Y299 HydrophobicContact CB-CD1 3.3Å; E297-Y299 HydrophobicContact CB-CE1 3.1Å; E297-Y299 HydrophobicContact CB-CG 4.46Å; E297-Y299 HydrophobicContact CG-CD1 4.36Å; E297-Y299 HydrophobicContact CG-CE1 3.72Å; E297-Y299 PolarHBondContact O-N 2.7Å; Y299-V301 HydrophobicContact CD2-CG2 4.18Å; Y299-V301 HydrophobicContact CE2-CG2 3.62Å; Y299-L326 HydrophobicContact CE2-CD2 4.46Å; Y299-L326 WeakPolarHBondContact OH-CD2 3.33Å | ||
| 300 | F | 92.9 | Very high | 94.7 | Very high | 156 Ų | 156 | 60.5 Ų | 60.5 | 68% | 0.684 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 128.2 | 173 | 178.9 | -102.4 | 0 | 0 | 0 | 110.9 | P302 L303 | F300-P302 WeakPolarHBondContact O-CD 3.43Å; F300-L303 HydrophobicContact CZ-CD2 4.49Å; F300-L303 HydrophobicContact CZ-CG 4.15Å |
| 301 | V | 94.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 119 | 171.7 | -175 | 0 | 0 | 0 | 0 | 109 | I290 Y299 L303 F306 F322 L326 | I290-V301 HydrophobicContact CG2-CB 3.97Å; I290-V301 HydrophobicContact CG2-CG1 3.63Å; I290-V301 HydrophobicContact CG2-CG2 3.82Å; Y299-V301 HydrophobicContact CD2-CG2 4.18Å; Y299-V301 HydrophobicContact CE2-CG2 3.62Å; V301-L303 PolarHBondContact O-N 2.97Å; V301-F306 HydrophobicContact CB-CE1 4.21Å; V301-F306 HydrophobicContact CG1-CD1 3.82Å; V301-F306 HydrophobicContact CG1-CE1 3.78Å; V301-F322 HydrophobicContact CG1-CE1 3.6Å; V301-F322 HydrophobicContact CG1-CZ 4.09Å; V301-L326 HydrophobicContact CG1-CD1 4.37Å; V301-L326 HydrophobicContact CG2-CD1 3.95Å |
| 302 | P | 92.6 | Very high | 94.4 | Very high | 35 Ų | 35 | 68.8 Ų | 68.8 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.5 | 179 | -22.1 | 32.6 | 0 | 0 | 0 | 113.1 | F300 Y304 N305 | F300-P302 WeakPolarHBondContact O-CD 3.43Å; P302-Y304 HydrophobicContact CB-CD1 3.69Å; P302-Y304 HydrophobicContact CB-CE1 3.25Å; P302-Y304 HydrophobicContact CB-CE2 4.35Å; P302-Y304 HydrophobicContact CB-CG 4.39Å; P302-Y304 HydrophobicContact CG-CE1 4.14Å; P302-Y304 PolarHBondContact O-N 3.19Å; P302-N305 WeakPolarHBondContact O-CB 3.34Å; P302-N305 PolarHBondContact O-N 3.32Å |
| 303 | L | 90.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 73.4 Ų | 73.4 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.1 | -176.5 | -59.9 | -179.6 | 0 | 0 | 0 | 114.4 | F300 V301 N305 F306 | F300-L303 HydrophobicContact CZ-CD2 4.49Å; F300-L303 HydrophobicContact CZ-CG 4.15Å; V301-L303 PolarHBondContact O-N 2.97Å; L303-N305 VanDerWaalsContact C-N 3.33Å; L303-F306 HydrophobicContact CD2-CE1 3.95Å; L303-F306 HydrophobicContact CD2-CZ 3.69Å |
| 304 | Y | 91.5 | Very high | 94.1 | Very high | 193 Ų | 193 | 80.1 Ų | 80.1 | 76% | 0.757 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.9 | 175.7 | 64.5 | -99.5 | 0 | 0 | 0 | 113.1 | P302 | P302-Y304 HydrophobicContact CB-CD1 3.69Å; P302-Y304 HydrophobicContact CB-CE1 3.25Å; P302-Y304 HydrophobicContact CB-CE2 4.35Å; P302-Y304 HydrophobicContact CB-CG 4.39Å; P302-Y304 HydrophobicContact CG-CE1 4.14Å; P302-Y304 PolarHBondContact O-N 3.19Å |
| 305 | N | 94.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 82.4 Ų | 82.4 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -86.3 | -15.2 | 179.2 | -72.2 | -18.2 | 0 | 0 | 0 | 113.2 | P302 L303 H318 F322 | P302-N305 WeakPolarHBondContact O-CB 3.34Å; P302-N305 PolarHBondContact O-N 3.32Å; L303-N305 VanDerWaalsContact C-N 3.33Å; N305-H318 PolarHBondContact O-NE2 3.21Å; N305-F322 HydrophobicContact CB-CE1 3.81Å; N305-F322 HydrophobicContact CB-CE2 4.32Å; N305-F322 HydrophobicContact CB-CZ 3.63Å |
| 306 | F | 97.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 83.8 Ų | 83.8 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -147.8 | 162.5 | -176.5 | 73.6 | -83.6 | 0 | 0 | 0 | 111.6 | V287 I290 L291 V301 L303 L308 N319 F322 | V287-F306 HydrophobicContact CG1-CE2 4.33Å; I290-F306 HydrophobicContact CD1-CB 3.5Å; I290-F306 HydrophobicContact CD1-CD1 4.41Å; I290-F306 HydrophobicContact CD1-CD2 3.7Å; I290-F306 HydrophobicContact CD1-CG 3.64Å; I290-F306 HydrophobicContact CG2-CD1 4Å; I290-F306 HydrophobicContact CG2-CD2 4.45Å; I290-F306 HydrophobicContact CG2-CE1 4Å; I290-F306 HydrophobicContact CG2-CE2 4.45Å; I290-F306 HydrophobicContact CG2-CG 4.23Å; I290-F306 HydrophobicContact CG2-CZ 4.23Å; L291-F306 HydrophobicContact CD2-CZ 4.31Å; V301-F306 HydrophobicContact CB-CE1 4.21Å; V301-F306 HydrophobicContact CG1-CD1 3.82Å; V301-F306 HydrophobicContact CG1-CE1 3.78Å; L303-F306 HydrophobicContact CD2-CE1 3.95Å; L303-F306 HydrophobicContact CD2-CZ 3.69Å; F306-L308 HydrophobicContact CE2-CD1 4Å; F306-L308 HydrophobicContact CZ-CD1 4.35Å; F306-N319 WeakPolarHBondContact CB-OD1 3.36Å; F306-F322 HydrophobicContact CB-CD1 4.05Å; F306-F322 HydrophobicContact CB-CE1 4.39Å; F306-F322 HydrophobicContact CD1-CE1 4.46Å |
| 307 | F | 97.5 | Very high | 94.4 | Very high | 85 Ų | 85 | 84.1 Ų | 84.1 | 37% | 0.373 | 41% | 0.408 | S | S | . | . | trans | -88.8 | 112.7 | 179.5 | -60.5 | -82.9 | 0 | 0 | 0 | 109.6 | V287 T309 P310 Q315 H318 N319 | V287-F307 WeakPolarHBondContact CG2-O 3.46Å; F307-T309 VanDerWaalsContact C-N 3.28Å; F307-T309 PolarHBondContact O-N 3.3Å; F307-P310 HydrophobicContact CB-CB 3.93Å; F307-P310 WeakPolarHBondContact O-CD 3.47Å; F307-Q315 HydrophobicContact CB-CB 4.33Å; F307-Q315 HydrophobicContact CD1-CB 4.46Å; F307-Q315 HydrophobicContact CD1-CG 3.95Å; F307-Q315 HydrophobicContact CD2-CB 3.72Å; F307-Q315 HydrophobicContact CD2-CG 3.83Å; F307-Q315 HydrophobicContact CE1-CG 3.96Å; F307-Q315 HydrophobicContact CE2-CB 4.14Å; F307-Q315 HydrophobicContact CE2-CG 3.85Å; F307-Q315 HydrophobicContact CG-CB 3.91Å; F307-Q315 HydrophobicContact CG-CG 3.89Å; F307-Q315 HydrophobicContact CZ-CG 3.91Å; F307-H318 AromaticContact CD2-CD2 3.82Å; F307-H318 HydrophobicContact CE2-CB 4.24Å; F307-H318 AromaticContact CE2-CD2 3.68Å; F307-H318 AromaticContact CE2-CG 3.97Å; F307-N319 PolarHBondContact N-OD1 3.32Å; F307-N319 PolarHBondContact O-ND2 2.89Å | ||
| 308 | L | 94.9 | Very high | 94.6 | Very high | 94 Ų | 94 | 84.9 Ų | 84.9 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -68.8 | -28.6 | 178.6 | -171.4 | 64.6 | 0 | 0 | 0 | 112.7 | V287 F306 | V287-L308 HydrophobicContact CG1-CD1 4.07Å; F306-L308 HydrophobicContact CE2-CD1 4Å; F306-L308 HydrophobicContact CZ-CD1 4.35Å |
| 309 | T | 95.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 77.4 Ų | 77.4 | 68% | 0.681 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -130.7 | 73 | 177.6 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | F307 E311 | F307-T309 VanDerWaalsContact C-N 3.28Å; F307-T309 PolarHBondContact O-N 3.3Å; T309-E311 PolarHBondContact O-N 2.87Å |
| 310 | P | 95.1 | Very high | 95 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 10% | 0.104 | 36% | 0.355 | C | S | . | . | trans | -72.7 | 123.3 | -175.3 | 31.2 | -34.8 | 0 | 0 | 0 | 110.9 | D285 V287 F307 Q315 K316 | D285-P310 HydrophobicContact CB-CG 3.68Å; V287-P310 HydrophobicContact CG2-CG 4.25Å; F307-P310 HydrophobicContact CB-CB 3.93Å; F307-P310 WeakPolarHBondContact O-CD 3.47Å; P310-Q315 HydrophobicContact CB-CB 3.72Å; P310-K316 HydrophobicContact CB-CG 3.82Å; P310-K316 HydrophobicContact CG-CG 3.95Å | ||
| 311 | E | 93.4 | Very high | 95.1 | Very high | 173 Ų | 173 | 67.4 Ų | 67.4 | 81% | 0.808 | 34% | 0.335 | S | S | * | . | trans | -98.6 | -37.8 | -179.3 | -63.7 | -174.2 | 171.2 | 0 | 0 | 111.9 | T309 | T309-E311 PolarHBondContact O-N 2.87Š| ||
| 312 | S | 95.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -89.9 | 158.2 | -178.5 | 94.5 | 0 | 0 | 0 | 0 | 112.7 | E314 Q315 K316 | S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 WeakPolarHBondContact CB-OE2 3.49Å; S312-E314 PolarHBondContact O-N 2.74Å; S312-E314 PolarHBondContact OG-N 3.29Å; S312-E314 PolarHBondContact OG-OE2 3.41Å; S312-Q315 PolarHBondContact O-N 3.26Å; S312-Q315 WeakPolarHBondContact OG-CG 3Å; S312-Q315 PolarHBondContact OG-N 2.99Å; S312-Q315 VanDerWaalsContact OG-N 3.1Å; S312-K316 WeakPolarHBondContact O-CG 3.23Å; S312-K316 PolarHBondContact O-N 3.39Å |
| 313 | F | 92.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 66.7 Ų | 66.7 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 172.4 | -177.8 | -95.2 | 0 | 0 | 0 | 111.1 | Q315 K316 V317 E340 V343 | F313-Q315 VanDerWaalsContact C-N 3.34Å; F313-Q315 PolarHBondContact O-N 3.25Å; F313-K316 PolarHBondContact O-N 3.43Å; F313-V317 HydrophobicContact CD1-CG2 3.9Å; F313-V317 HydrophobicContact CE1-CG2 3.49Å; F313-V317 VanDerWaalsContact CE1-CG2 3.49Å; F313-V317 HydrophobicContact CE2-CG2 4.4Å; F313-V317 HydrophobicContact CZ-CG2 3.76Å; F313-V317 WeakPolarHBondContact O-CG2 3.26Å; F313-V317 PolarHBondContact O-N 3.37Å; F313-E340 HydrophobicContact CE1-CG 4.41Å; F313-E340 HydrophobicContact CZ-CB 4.23Å; F313-E340 HydrophobicContact CZ-CG 4.31Å; F313-V343 HydrophobicContact CD2-CG1 3.63Å; F313-V343 HydrophobicContact CE2-CB 4.1Å; F313-V343 HydrophobicContact CE2-CG1 3.5Å; F313-V343 HydrophobicContact CZ-CG1 4.33Å |
| 314 | E | 93.6 | Very high | 95.8 | Very high | 142 Ų | 142 | 62.5 Ų | 62.5 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 179 | -51.8 | 102.2 | 174.5 | 0 | 0 | 112.2 | S312 K316 V317 H318 | S312-E314 VanDerWaalsContact C-N 3.3Å; S312-E314 WeakPolarHBondContact CB-OE2 3.49Å; S312-E314 PolarHBondContact O-N 2.74Å; S312-E314 PolarHBondContact OG-N 3.29Å; S312-E314 PolarHBondContact OG-OE2 3.41Å; E314-K316 VanDerWaalsContact C-N 3.32Å; E314-K316 PolarHBondContact O-N 2.63Å; E314-V317 PolarHBondContact O-N 3.14Å; E314-H318 WeakPolarHBondContact O-CB 3.24Å; E314-H318 PolarHBondContact O-N 2.94Å |
| 315 | Q | 97.1 | Very high | 96 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 25% | 0.248 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -39.6 | 176.5 | -71 | 177.3 | -5.5 | 0 | 0 | 112 | F307 P310 S312 F313 N319 | F307-Q315 HydrophobicContact CB-CB 4.33Å; F307-Q315 HydrophobicContact CD1-CB 4.46Å; F307-Q315 HydrophobicContact CD1-CG 3.95Å; F307-Q315 HydrophobicContact CD2-CB 3.72Å; F307-Q315 HydrophobicContact CD2-CG 3.83Å; F307-Q315 HydrophobicContact CE1-CG 3.96Å; F307-Q315 HydrophobicContact CE2-CB 4.14Å; F307-Q315 HydrophobicContact CE2-CG 3.85Å; F307-Q315 HydrophobicContact CG-CB 3.91Å; F307-Q315 HydrophobicContact CG-CG 3.89Å; F307-Q315 HydrophobicContact CZ-CG 3.91Å; P310-Q315 HydrophobicContact CB-CB 3.72Å; S312-Q315 PolarHBondContact O-N 3.26Å; S312-Q315 WeakPolarHBondContact OG-CG 3Å; S312-Q315 PolarHBondContact OG-N 2.99Å; S312-Q315 VanDerWaalsContact OG-N 3.1Å; F313-Q315 VanDerWaalsContact C-N 3.34Å; F313-Q315 PolarHBondContact O-N 3.25Å; Q315-N319 PolarHBondContact O-N 3.35Å; Q315-N319 VanDerWaalsContact O-N 3.07Å; Q315-N319 PolarHBondContact O-OD1 3.29Å |
| 316 | K | 97.7 | Very high | 96 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 175.9 | -64.1 | 177.1 | -175.6 | 179.6 | 0 | 111.4 | D285 P310 S312 F313 E314 H318 N319 V320 V343 | D285-K316 HydrophobicContact CB-CD 4.49Å; D285-K316 HydrophobicContact CB-CG 4.25Å; P310-K316 HydrophobicContact CB-CG 3.82Å; P310-K316 HydrophobicContact CG-CG 3.95Å; S312-K316 WeakPolarHBondContact O-CG 3.23Å; S312-K316 PolarHBondContact O-N 3.39Å; F313-K316 PolarHBondContact O-N 3.43Å; E314-K316 VanDerWaalsContact C-N 3.32Å; E314-K316 PolarHBondContact O-N 2.63Å; K316-H318 VanDerWaalsContact C-N 3.35Å; K316-N319 PolarHBondContact O-N 2.89Å; K316-V320 WeakPolarHBondContact O-CG2 3.45Å; K316-V320 PolarHBondContact O-N 3.26Å; K316-V343 HydrophobicContact CB-CB 4.42Å; K316-V343 HydrophobicContact CB-CG1 3.62Å; K316-V343 HydrophobicContact CB-CG2 3.83Å; K316-V343 HydrophobicContact CD-CG1 4.01Å; K316-V343 HydrophobicContact CG-CG1 4.47Å |
| 317 | V | 96.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 176.4 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | F313 E314 N319 V320 A321 P339 E340 V343 | F313-V317 HydrophobicContact CD1-CG2 3.9Å; F313-V317 HydrophobicContact CE1-CG2 3.49Å; F313-V317 VanDerWaalsContact CE1-CG2 3.49Å; F313-V317 HydrophobicContact CE2-CG2 4.4Å; F313-V317 HydrophobicContact CZ-CG2 3.76Å; F313-V317 WeakPolarHBondContact O-CG2 3.26Å; F313-V317 PolarHBondContact O-N 3.37Å; E314-V317 PolarHBondContact O-N 3.14Å; V317-N319 PolarHBondContact O-N 2.98Å; V317-V320 PolarHBondContact O-N 3.12Å; V317-A321 VanDerWaalsContact O-CB 3.3Å; V317-A321 WeakPolarHBondContact O-CB 3.12Å; V317-A321 PolarHBondContact O-N 3.39Å; V317-P339 HydrophobicContact CG1-CB 4.14Å; V317-E340 HydrophobicContact CG1-CG 4.34Å; V317-E340 HydrophobicContact CG2-CG 4.05Å; V317-V343 HydrophobicContact CG2-CB 4.29Å; V317-V343 HydrophobicContact CG2-CG1 4.45Å; V317-V343 HydrophobicContact CG2-CG2 3.86Å |
| 318 | H | 97.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 39% | 0.394 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54.8 | -49.4 | 173.6 | 175 | 83.4 | 0 | 0 | 0 | 111.6 | N305 F307 E314 K316 V320 A321 F322 | N305-H318 PolarHBondContact O-NE2 3.21Å; F307-H318 AromaticContact CD2-CD2 3.82Å; F307-H318 HydrophobicContact CE2-CB 4.24Å; F307-H318 AromaticContact CE2-CD2 3.68Å; F307-H318 AromaticContact CE2-CG 3.97Å; E314-H318 WeakPolarHBondContact O-CB 3.24Å; E314-H318 PolarHBondContact O-N 2.94Å; K316-H318 VanDerWaalsContact C-N 3.35Å; H318-V320 PolarHBondContact O-N 3.36Å; H318-A321 PolarHBondContact O-N 2.8Å; H318-F322 VanDerWaalsContact O-CB 3.29Å; H318-F322 WeakPolarHBondContact O-CB 3.32Å; H318-F322 PolarHBondContact O-N 2.96Å |
| 319 | N | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 179.4 | -74.8 | -3.4 | 0 | 0 | 0 | 112.6 | D285 I290 F306 F307 Q315 K316 V317 F322 A323 | D285-N319 VanDerWaalsContact O-CB 3.27Å; D285-N319 WeakPolarHBondContact O-CB 3.46Å; D285-N319 PolarHBondContact O-ND2 2.87Å; I290-N319 HydrophobicContact CD1-CB 3.82Å; I290-N319 WeakPolarHBondContact CD1-O 3.26Å; F306-N319 WeakPolarHBondContact CB-OD1 3.36Å; F307-N319 PolarHBondContact N-OD1 3.32Å; F307-N319 PolarHBondContact O-ND2 2.89Å; Q315-N319 PolarHBondContact O-N 3.35Å; Q315-N319 VanDerWaalsContact O-N 3.07Å; Q315-N319 PolarHBondContact O-OD1 3.29Å; K316-N319 PolarHBondContact O-N 2.89Å; V317-N319 PolarHBondContact O-N 2.98Å; N319-F322 PolarHBondContact O-N 3.38Å; N319-A323 PolarHBondContact O-N 3.08Å |
| 320 | V | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | L289 K316 V317 H318 F322 A323 F324 P339 V342 V343 | L289-V320 HydrophobicContact CD1-CG1 4.27Å; K316-V320 WeakPolarHBondContact O-CG2 3.45Å; K316-V320 PolarHBondContact O-N 3.26Å; V317-V320 PolarHBondContact O-N 3.12Å; H318-V320 PolarHBondContact O-N 3.36Å; V320-F322 VanDerWaalsContact C-N 3.34Å; V320-F322 PolarHBondContact O-N 2.93Å; V320-A323 WeakPolarHBondContact O-CB 3.47Å; V320-A323 PolarHBondContact O-N 3.32Å; V320-F324 HydrophobicContact CG1-CD1 4.38Å; V320-F324 HydrophobicContact CG1-CE1 3.77Å; V320-F324 HydrophobicContact CG1-CE2 4.16Å; V320-F324 HydrophobicContact CG1-CZ 3.65Å; V320-F324 WeakPolarHBondContact O-CD1 3.23Å; V320-F324 WeakPolarHBondContact O-CG 3.21Å; V320-F324 PolarHBondContact O-N 2.81Å; V320-F324 VanDerWaalsContact O-N 3.09Å; V320-P339 HydrophobicContact CB-CB 4Å; V320-P339 HydrophobicContact CG1-CB 3.87Å; V320-V342 HydrophobicContact CG1-CB 3.98Å; V320-V342 HydrophobicContact CG1-CG1 4.25Å; V320-V342 HydrophobicContact CG1-CG2 4.15Å; V320-V342 HydrophobicContact CG2-CB 4.38Å; V320-V342 HydrophobicContact CG2-CG1 4.13Å; V320-V343 HydrophobicContact CB-CG2 4.49Å; V320-V343 HydrophobicContact CG2-CG2 3.84Å |
| 321 | A | 96.1 | Very high | 95 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V317 H318 A323 F324 E325 P339 | V317-A321 VanDerWaalsContact O-CB 3.3Å; V317-A321 WeakPolarHBondContact O-CB 3.12Å; V317-A321 PolarHBondContact O-N 3.39Å; H318-A321 PolarHBondContact O-N 2.8Å; A321-A323 VanDerWaalsContact C-N 3.34Å; A321-A323 PolarHBondContact O-N 3.2Å; A321-F324 WeakPolarHBondContact O-CB 3.16Å; A321-F324 PolarHBondContact O-N 3.23Å; A321-E325 PolarHBondContact O-N 3.47Å; A321-P339 HydrophobicContact CB-CB 4.25Å; A321-P339 HydrophobicContact CB-CG 3.87Å |
| 322 | F | 97.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 175.9 | -177.8 | -121.9 | 0 | 0 | 0 | 112.1 | I290 V301 N305 F306 H318 N319 V320 F324 E325 L326 | I290-F322 HydrophobicContact CD1-CD1 3.88Å; I290-F322 HydrophobicContact CG1-CD1 4.12Å; I290-F322 HydrophobicContact CG2-CD1 4.49Å; I290-F322 HydrophobicContact CG2-CE1 4.37Å; V301-F322 HydrophobicContact CG1-CE1 3.6Å; V301-F322 HydrophobicContact CG1-CZ 4.09Å; N305-F322 HydrophobicContact CB-CE1 3.81Å; N305-F322 HydrophobicContact CB-CE2 4.32Å; N305-F322 HydrophobicContact CB-CZ 3.63Å; F306-F322 HydrophobicContact CB-CD1 4.05Å; F306-F322 HydrophobicContact CB-CE1 4.39Å; F306-F322 HydrophobicContact CD1-CE1 4.46Å; H318-F322 VanDerWaalsContact O-CB 3.29Å; H318-F322 WeakPolarHBondContact O-CB 3.32Å; H318-F322 PolarHBondContact O-N 2.96Å; N319-F322 PolarHBondContact O-N 3.38Å; V320-F322 VanDerWaalsContact C-N 3.34Å; V320-F322 PolarHBondContact O-N 2.93Å; F322-F324 VanDerWaalsContact C-N 3.25Å; F322-F324 PolarHBondContact O-N 3.29Å; F322-E325 WeakPolarHBondContact O-CB 3.42Å; F322-E325 PolarHBondContact O-N 3.26Å; F322-E325 VanDerWaalsContact O-N 3.15Å; F322-L326 HydrophobicContact CD1-CD1 4.27Å; F322-L326 HydrophobicContact CE1-CD1 3.89Å; F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CE1-CG 4.29Å; F322-L326 HydrophobicContact CE2-CD2 4.1Å; F322-L326 HydrophobicContact CE2-CG 4.33Å; F322-L326 HydrophobicContact CZ-CD1 4.16Å; F322-L326 HydrophobicContact CZ-CD2 3.87Å; F322-L326 HydrophobicContact CZ-CG 4.13Å; F322-L326 WeakPolarHBondContact O-CG 3.24Å; F322-L326 PolarHBondContact O-N 3.2Å |
| 323 | A | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | L289 I290 N319 V320 A321 L326 M327 | L289-A323 HydrophobicContact CB-CB 3.72Å; L289-A323 HydrophobicContact CD1-CB 4.5Å; I290-A323 HydrophobicContact CG1-CB 3.87Å; N319-A323 PolarHBondContact O-N 3.08Å; V320-A323 WeakPolarHBondContact O-CB 3.47Å; V320-A323 PolarHBondContact O-N 3.32Å; A321-A323 VanDerWaalsContact C-N 3.34Å; A321-A323 PolarHBondContact O-N 3.2Å; A323-L326 PolarHBondContact O-N 3.49Å; A323-M327 HydrophobicContact CB-CE 4.44Å; A323-M327 VanDerWaalsContact O-CG 3.3Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 3.37Å |
| 324 | F | 96.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.1 | -29.5 | 177.3 | -66.4 | -0.9 | 0 | 0 | 0 | 112.8 | V320 A321 F322 M327 Q328 P335 A337 P339 V342 V353 | V320-F324 HydrophobicContact CG1-CD1 4.38Å; V320-F324 HydrophobicContact CG1-CE1 3.77Å; V320-F324 HydrophobicContact CG1-CE2 4.16Å; V320-F324 HydrophobicContact CG1-CZ 3.65Å; V320-F324 WeakPolarHBondContact O-CD1 3.23Å; V320-F324 WeakPolarHBondContact O-CG 3.21Å; V320-F324 PolarHBondContact O-N 2.81Å; V320-F324 VanDerWaalsContact O-N 3.09Å; A321-F324 WeakPolarHBondContact O-CB 3.16Å; A321-F324 PolarHBondContact O-N 3.23Å; F322-F324 VanDerWaalsContact C-N 3.25Å; F322-F324 PolarHBondContact O-N 3.29Å; F324-M327 HydrophobicContact CD1-CE 4.25Å; F324-M327 HydrophobicContact CD1-SD 4.11Å; F324-Q328 WeakPolarHBondContact O-CG 3.35Å; F324-Q328 PolarHBondContact O-N 2.62Å; F324-Q328 PolarHBondContact O-NE2 2.95Å; F324-P335 HydrophobicContact CB-CG 4.21Å; F324-P335 HydrophobicContact CD1-CB 4.23Å; F324-P335 HydrophobicContact CD1-CG 3.72Å; F324-P335 HydrophobicContact CD2-CB 4.15Å; F324-P335 HydrophobicContact CD2-CG 4.21Å; F324-P335 HydrophobicContact CE1-CB 4.18Å; F324-P335 HydrophobicContact CE1-CG 4.1Å; F324-P335 HydrophobicContact CE2-CB 4.1Å; F324-P335 HydrophobicContact CG-CB 4.21Å; F324-P335 HydrophobicContact CG-CG 3.78Å; F324-P335 HydrophobicContact CZ-CB 4.11Å; F324-P335 HydrophobicContact CZ-CG 4.49Å; F324-A337 WeakPolarHBondContact CE2-O 3.25Å; F324-A337 HydrophobicContact CZ-CB 4.39Å; F324-P339 HydrophobicContact CD2-CG 4.05Å; F324-P339 HydrophobicContact CE2-CG 4Å; F324-V342 HydrophobicContact CZ-CG2 4.14Å; F324-V353 HydrophobicContact CE1-CG1 3.96Å; F324-V353 HydrophobicContact CE1-CG2 3.68Å; F324-V353 HydrophobicContact CZ-CG2 3.7Å |
| 325 | E | 95.1 | Very high | 93.2 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 169.3 | -68.2 | 176.8 | -179.5 | 0 | 0 | 110.2 | A321 F322 M327 Q328 D329 | A321-E325 PolarHBondContact O-N 3.47Å; F322-E325 WeakPolarHBondContact O-CB 3.42Å; F322-E325 PolarHBondContact O-N 3.26Å; F322-E325 VanDerWaalsContact O-N 3.15Å; E325-M327 PolarHBondContact O-N 3.4Å; E325-Q328 WeakPolarHBondContact O-CA 3.48Å; E325-Q328 WeakPolarHBondContact O-CB 3.27Å; E325-Q328 PolarHBondContact O-N 3.47Å; E325-D329 PolarHBondContact O-N 3.22Å |
| 326 | L | 95.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.6 | -37.5 | 176.1 | -65.6 | -179.2 | 0 | 0 | 0 | 112.8 | I290 M293 Y299 V301 F322 A323 D329 G330 | I290-L326 HydrophobicContact CG2-CD1 4.12Å; M293-L326 HydrophobicContact CB-CB 4.31Å; M293-L326 HydrophobicContact CB-CD1 4.39Å; M293-L326 HydrophobicContact CG-CB 4.44Å; Y299-L326 HydrophobicContact CE2-CD2 4.46Å; Y299-L326 WeakPolarHBondContact OH-CD2 3.33Å; V301-L326 HydrophobicContact CG1-CD1 4.37Å; V301-L326 HydrophobicContact CG2-CD1 3.95Å; F322-L326 HydrophobicContact CD1-CD1 4.27Å; F322-L326 HydrophobicContact CE1-CD1 3.89Å; F322-L326 HydrophobicContact CE1-CD2 4.45Å; F322-L326 HydrophobicContact CE1-CG 4.29Å; F322-L326 HydrophobicContact CE2-CD2 4.1Å; F322-L326 HydrophobicContact CE2-CG 4.33Å; F322-L326 HydrophobicContact CZ-CD1 4.16Å; F322-L326 HydrophobicContact CZ-CD2 3.87Å; F322-L326 HydrophobicContact CZ-CG 4.13Å; F322-L326 WeakPolarHBondContact O-CG 3.24Å; F322-L326 PolarHBondContact O-N 3.2Å; A323-L326 PolarHBondContact O-N 3.49Å; L326-D329 PolarHBondContact O-N 3.42Å; L326-G330 PolarHBondContact O-N 2.9Å |
| 327 | M | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 173.7 | -72.7 | 173.4 | -157.5 | 0 | 0 | 112.2 | M293 A323 F324 E325 G330 G331 L332 P335 V353 L357 | M293-M327 HydrophobicContact CE-CB 4.5Å; M293-M327 HydrophobicContact CE-CG 4.02Å; M293-M327 HydrophobicContact CG-CE 4.03Å; M293-M327 HydrophobicContact CG-CG 3.96Å; M293-M327 HydrophobicContact SD-CE 4.17Å; M293-M327 HydrophobicContact SD-CG 3.46Å; M293-M327 WeakPolarHBondContact SD-CG 3.45Å; A323-M327 HydrophobicContact CB-CE 4.44Å; A323-M327 VanDerWaalsContact O-CG 3.3Å; A323-M327 WeakPolarHBondContact O-CG 3.49Å; A323-M327 PolarHBondContact O-N 3.37Å; F324-M327 HydrophobicContact CD1-CE 4.25Å; F324-M327 HydrophobicContact CD1-SD 4.11Å; E325-M327 PolarHBondContact O-N 3.4Å; M327-G330 CarbonylContact O-C 3.26Å; M327-G330 PolarHBondContact O-N 3.05Å; M327-G331 PolarHBondContact O-N 2.89Å; M327-L332 HydrophobicContact CB-CB 4.33Å; M327-L332 VanDerWaalsContact O-CB 3.27Å; M327-L332 WeakPolarHBondContact O-CB 3.48Å; M327-L332 WeakPolarHBondContact O-CD1 3.49Å; M327-L332 PolarHBondContact O-N 3.3Å; M327-P335 HydrophobicContact SD-CG 3.67Å; M327-V353 HydrophobicContact CE-CG1 3.72Å; M327-V353 HydrophobicContact SD-CG1 4.19Å; M327-L357 HydrophobicContact CE-CD1 3.97Å; M327-L357 HydrophobicContact CE-CD2 4.07Å; M327-L357 HydrophobicContact CE-CG 4.29Å; M327-L357 HydrophobicContact CG-CD2 4.04Å; M327-L357 HydrophobicContact SD-CD2 4.1Å |
| 328 | Q | 93.3 | Very high | 91 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 36% | 0.36 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 178.8 | -73.6 | 170.3 | 93.5 | 0 | 0 | 111.5 | F324 E325 G330 G331 K334 | F324-Q328 WeakPolarHBondContact O-CG 3.35Å; F324-Q328 PolarHBondContact O-N 2.62Å; F324-Q328 PolarHBondContact O-NE2 2.95Å; E325-Q328 WeakPolarHBondContact O-CA 3.48Å; E325-Q328 WeakPolarHBondContact O-CB 3.27Å; E325-Q328 PolarHBondContact O-N 3.47Å; Q328-G330 VanDerWaalsContact C-N 3.26Å; Q328-G330 PolarHBondContact O-N 2.87Å; Q328-G331 WeakPolarHBondContact O-CA 3.35Å; Q328-G331 PolarHBondContact O-N 3.13Å; Q328-K334 HydrophobicContact CG-CB 4.04Å; Q328-K334 HydrophobicContact CG-CG 4.48Å |
| 329 | D | 92 | Very high | 90.8 | Very high | 136 Ų | 136 | 48.4 Ų | 48.4 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.6 | -34.3 | 174.7 | -70.3 | -12.9 | 0 | 0 | 0 | 111.5 | E325 L326 G331 | E325-D329 PolarHBondContact O-N 3.22Å; L326-D329 PolarHBondContact O-N 3.42Å; D329-G331 PolarHBondContact O-N 3.5Å |
| 330 | G | 89 | Confident | 90.4 | Very high | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 4.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L326 M327 Q328 | L326-G330 PolarHBondContact O-N 2.9Å; M327-G330 CarbonylContact O-C 3.26Å; M327-G330 PolarHBondContact O-N 3.05Å; Q328-G330 VanDerWaalsContact C-N 3.26Å; Q328-G330 PolarHBondContact O-N 2.87Å |
| 331 | G | 90 | Very high | 90 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 9.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | M327 Q328 D329 | M327-G331 PolarHBondContact O-N 2.89Å; Q328-G331 WeakPolarHBondContact O-CA 3.35Å; Q328-G331 PolarHBondContact O-N 3.13Å; D329-G331 PolarHBondContact O-N 3.5Å |
| 332 | L | 89.8 | Confident | 89.8 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 153.2 | 175 | -73.5 | 78.1 | 0 | 0 | 0 | 110.6 | M327 K334 L357 N360 Y361 | M327-L332 HydrophobicContact CB-CB 4.33Å; M327-L332 VanDerWaalsContact O-CB 3.27Å; M327-L332 WeakPolarHBondContact O-CB 3.48Å; M327-L332 WeakPolarHBondContact O-CD1 3.49Å; M327-L332 PolarHBondContact O-N 3.3Å; L332-K334 PolarHBondContact O-N 3.06Å; L332-L357 HydrophobicContact CD2-CD2 3.84Å; L332-N360 HydrophobicContact CD2-CB 4.4Å; L332-Y361 HydrophobicContact CD1-CE2 3.64Å; L332-Y361 WeakPolarHBondContact CD1-OH 3.39Å; L332-Y361 HydrophobicContact CD2-CE2 3.98Å; L332-Y361 HydrophobicContact CG-CE2 4.36Å |
| 333 | K | 82.6 | Confident | 89.6 | Confident | 180 Ų | 180 | 48.4 Ų | 48.4 | 78% | 0.783 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 136.6 | 166.8 | -66.9 | -175.1 | 179.8 | -178.8 | 0 | 109.3 | N356 | K333-N356 PolarHBondContact O-ND2 2.94Š|
| 334 | K | 79.6 | Confident | 89.3 | Confident | 144 Ų | 144 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -46.6 | 125.9 | 172.9 | -174.4 | 174.2 | 179.7 | 178.4 | 0 | 109.9 | Q328 L332 K336 | Q328-K334 HydrophobicContact CG-CB 4.04Å; Q328-K334 HydrophobicContact CG-CG 4.48Å; L332-K334 PolarHBondContact O-N 3.06Å; K334-K336 PolarHBondContact O-N 3.43Å |
| 335 | P | 83.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 137.8 | 176 | -28.7 | 37.1 | 0 | 0 | 0 | 111.7 | F324 M327 A337 V353 | F324-P335 HydrophobicContact CB-CG 4.21Å; F324-P335 HydrophobicContact CD1-CB 4.23Å; F324-P335 HydrophobicContact CD1-CG 3.72Å; F324-P335 HydrophobicContact CD2-CB 4.15Å; F324-P335 HydrophobicContact CD2-CG 4.21Å; F324-P335 HydrophobicContact CE1-CB 4.18Å; F324-P335 HydrophobicContact CE1-CG 4.1Å; F324-P335 HydrophobicContact CE2-CB 4.1Å; F324-P335 HydrophobicContact CG-CB 4.21Å; F324-P335 HydrophobicContact CG-CG 3.78Å; F324-P335 HydrophobicContact CZ-CB 4.11Å; F324-P335 HydrophobicContact CZ-CG 4.49Å; M327-P335 HydrophobicContact SD-CG 3.67Å; P335-A337 PolarHBondContact O-N 2.85Å; P335-V353 HydrophobicContact CB-CG2 4.2Å |
| 336 | K | 77.1 | Confident | 88.7 | Confident | 121 Ų | 121 | 53.3 Ų | 53.3 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -71.1 | -21.1 | 176 | -69.6 | -171.6 | 175.6 | -172.3 | 0 | 112.9 | Q195 K334 | Q195-K336 PolarHBondContact NE2-O 3.12Å; K334-K336 PolarHBondContact O-N 3.43Å |
| 337 | A | 83.9 | Confident | 88.3 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -72.9 | 146.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F324 P335 V353 | F324-A337 WeakPolarHBondContact CE2-O 3.25Å; F324-A337 HydrophobicContact CZ-CB 4.39Å; P335-A337 PolarHBondContact O-N 2.85Å; A337-V353 HydrophobicContact CB-CG2 3.98Å |
| 338 | R | 85.2 | Confident | 87.8 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | trans | -84.1 | 146.5 | 168.4 | -52.8 | -179.7 | -60.7 | 169.4 | 9.7 | 110 | Q195 A196 I198 E340 D341 V342 | Q195-R338 HydrophobicContact CB-CG 4.31Å; A196-R338 PolarHBondContact O-NH1 3.05Å; I198-R338 PolarHBondContact O-NH1 3.2Å; R338-E340 WeakPolarHBondContact CB-OE2 3.18Å; R338-E340 PolarHBondContact O-N 2.99Å; R338-D341 WeakPolarHBondContact CB-OD2 3.28Å; R338-D341 IonicContact CZ-OD1 2.7Å; R338-D341 IonicContact CZ-OD2 3.22Å; R338-D341 IonicContact NE-OD1 3.8Å; R338-D341 PolarHBondContact NE-OD1 3.49Å; R338-D341 IonicContact NE-OD2 3.24Å; R338-D341 PolarHBondContact NE-OD2 3.19Å; R338-D341 IonicContact NH2-OD1 2.74Å; R338-D341 PolarHBondContact NH2-OD1 2.68Å; R338-D341 IonicContact NH2-OD2 2.68Å; R338-D341 WeakPolarHBondContact O-CB 3.11Å; R338-D341 PolarHBondContact O-N 3.39Å; R338-D341 VanDerWaalsContact O-N 3.08Å; R338-V342 PolarHBondContact O-N 3.34Å | ||
| 339 | P | 91.6 | Very high | 87.5 | Confident | 23 Ų | 23 | 52 Ų | 52 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.4 | -42.7 | 176.1 | -28.5 | 37.1 | 0 | 0 | 0 | 113 | V317 V320 A321 F324 D341 V342 V343 | V317-P339 HydrophobicContact CG1-CB 4.14Å; V320-P339 HydrophobicContact CB-CB 4Å; V320-P339 HydrophobicContact CG1-CB 3.87Å; A321-P339 HydrophobicContact CB-CB 4.25Å; A321-P339 HydrophobicContact CB-CG 3.87Å; F324-P339 HydrophobicContact CD2-CG 4.05Å; F324-P339 HydrophobicContact CE2-CG 4Å; P339-D341 PolarHBondContact O-N 3.02Å; P339-V342 PolarHBondContact O-N 3.45Å; P339-V342 VanDerWaalsContact O-N 3.14Å; P339-V343 WeakPolarHBondContact O-CG2 3.32Å; P339-V343 PolarHBondContact O-N 2.9Å |
| 340 | E | 90.3 | Very high | 87.5 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -32.9 | 179.7 | -58.6 | 79 | -176 | 0 | 0 | 112.1 | F313 V317 R338 V343 N344 | F313-E340 HydrophobicContact CE1-CG 4.41Å; F313-E340 HydrophobicContact CZ-CB 4.23Å; F313-E340 HydrophobicContact CZ-CG 4.31Å; V317-E340 HydrophobicContact CG1-CG 4.34Å; V317-E340 HydrophobicContact CG2-CG 4.05Å; R338-E340 WeakPolarHBondContact CB-OE2 3.18Å; R338-E340 PolarHBondContact O-N 2.99Å; E340-V343 PolarHBondContact O-N 3.48Å; E340-N344 VanDerWaalsContact O-CB 3.28Å; E340-N344 WeakPolarHBondContact O-CB 3.46Å; E340-N344 PolarHBondContact O-N 3.49Å; E340-N344 PolarHBondContact O-ND2 2.99Å |
| 341 | D | 88.4 | Confident | 87.6 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.5 | -39.1 | 179.1 | -62.6 | -36.7 | 0 | 0 | 0 | 110.7 | R338 P339 N344 L345 N346 S349 | R338-D341 WeakPolarHBondContact CB-OD2 3.28Å; R338-D341 IonicContact CZ-OD1 2.7Å; R338-D341 IonicContact CZ-OD2 3.22Å; R338-D341 IonicContact NE-OD1 3.8Å; R338-D341 PolarHBondContact NE-OD1 3.49Å; R338-D341 IonicContact NE-OD2 3.24Å; R338-D341 PolarHBondContact NE-OD2 3.19Å; R338-D341 IonicContact NH2-OD1 2.74Å; R338-D341 PolarHBondContact NH2-OD1 2.68Å; R338-D341 IonicContact NH2-OD2 2.68Å; R338-D341 WeakPolarHBondContact O-CB 3.11Å; R338-D341 PolarHBondContact O-N 3.39Å; R338-D341 VanDerWaalsContact O-N 3.08Å; P339-D341 PolarHBondContact O-N 3.02Å; D341-N344 PolarHBondContact O-N 3.24Å; D341-L345 PolarHBondContact O-N 2.66Å; D341-N346 HydrophobicContact CB-CB 4.06Å; D341-N346 WeakPolarHBondContact O-CB 3.29Å; D341-N346 PolarHBondContact O-N 3.22Å; D341-S349 WeakPolarHBondContact CB-OG 3.39Å |
| 342 | V | 92.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | L289 V320 F324 R338 P339 N344 L345 V353 | L289-V342 HydrophobicContact CD1-CG1 4.35Å; V320-V342 HydrophobicContact CG1-CB 3.98Å; V320-V342 HydrophobicContact CG1-CG1 4.25Å; V320-V342 HydrophobicContact CG1-CG2 4.15Å; V320-V342 HydrophobicContact CG2-CB 4.38Å; V320-V342 HydrophobicContact CG2-CG1 4.13Å; F324-V342 HydrophobicContact CZ-CG2 4.14Å; R338-V342 PolarHBondContact O-N 3.34Å; P339-V342 PolarHBondContact O-N 3.45Å; P339-V342 VanDerWaalsContact O-N 3.14Å; V342-N344 VanDerWaalsContact C-N 3.25Å; V342-N344 PolarHBondContact O-N 3.23Å; V342-L345 PolarHBondContact O-N 3.13Å; V342-L345 VanDerWaalsContact O-N 3.08Å; V342-V353 HydrophobicContact CG2-CG2 4.46Å |
| 343 | V | 94.3 | Very high | 87.6 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 9% | 0.085 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -33.5 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 112 | A284 F313 K316 V317 V320 P339 E340 L345 | A284-V343 WeakPolarHBondContact O-CA 3.42Å; A284-V343 WeakPolarHBondContact O-CG2 3.35Å; F313-V343 HydrophobicContact CD2-CG1 3.63Å; F313-V343 HydrophobicContact CE2-CB 4.1Å; F313-V343 HydrophobicContact CE2-CG1 3.5Å; F313-V343 HydrophobicContact CZ-CG1 4.33Å; K316-V343 HydrophobicContact CB-CB 4.42Å; K316-V343 HydrophobicContact CB-CG1 3.62Å; K316-V343 HydrophobicContact CB-CG2 3.83Å; K316-V343 HydrophobicContact CD-CG1 4.01Å; K316-V343 HydrophobicContact CG-CG1 4.47Å; V317-V343 HydrophobicContact CG2-CB 4.29Å; V317-V343 HydrophobicContact CG2-CG1 4.45Å; V317-V343 HydrophobicContact CG2-CG2 3.86Å; V320-V343 HydrophobicContact CB-CG2 4.49Å; V320-V343 HydrophobicContact CG2-CG2 3.84Å; P339-V343 WeakPolarHBondContact O-CG2 3.32Å; P339-V343 PolarHBondContact O-N 2.9Å; E340-V343 PolarHBondContact O-N 3.48Å; V343-L345 PolarHBondContact O-N 2.85Å |
| 344 | N | 90.8 | Very high | 88.1 | Confident | 76 Ų | 76 | 34.8 Ų | 34.8 | 41% | 0.406 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 18.2 | 175.9 | -74.1 | -60 | 0 | 0 | 0 | 113.9 | E340 D341 V342 N346 | E340-N344 VanDerWaalsContact O-CB 3.28Å; E340-N344 WeakPolarHBondContact O-CB 3.46Å; E340-N344 PolarHBondContact O-N 3.49Å; E340-N344 PolarHBondContact O-ND2 2.99Å; D341-N344 PolarHBondContact O-N 3.24Å; V342-N344 VanDerWaalsContact C-N 3.25Å; V342-N344 PolarHBondContact O-N 3.23Å; N344-N346 VanDerWaalsContact C-N 3.26Å; N344-N346 PolarHBondContact O-N 3.48Å |
| 345 | L | 91 | Very high | 88.6 | Confident | 98 Ų | 98 | 32.8 Ų | 32.8 | 51% | 0.513 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 28.6 | 174.8 | -49 | 170.4 | 0 | 0 | 0 | 113.5 | E280 A284 D341 V342 V343 L347 | E280-L345 WeakPolarHBondContact O-CD2 3.21Å; A284-L345 HydrophobicContact CB-CD2 3.48Å; A284-L345 VanDerWaalsContact CB-CD2 3.48Å; D341-L345 PolarHBondContact O-N 2.66Å; V342-L345 PolarHBondContact O-N 3.13Å; V342-L345 VanDerWaalsContact O-N 3.08Å; V343-L345 PolarHBondContact O-N 2.85Å; L345-L347 PolarHBondContact O-N 3.47Å |
| 346 | N | 87.4 | Confident | 88.9 | Confident | 43 Ų | 43 | 34 Ų | 34 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | trans | -71.3 | 97.3 | 172.4 | -172.1 | -55 | 0 | 0 | 0 | 109.5 | D341 N344 K348 S349 T350 | D341-N346 HydrophobicContact CB-CB 4.06Å; D341-N346 WeakPolarHBondContact O-CB 3.29Å; D341-N346 PolarHBondContact O-N 3.22Å; N344-N346 VanDerWaalsContact C-N 3.26Å; N344-N346 PolarHBondContact O-N 3.48Å; N346-K348 PolarHBondContact O-N 3.41Å; N346-K348 VanDerWaalsContact O-N 3.15Å; N346-K348 WeakPolarHBondContact OD1-CB 3.34Å; N346-K348 PolarHBondContact OD1-N 2.98Å; N346-K348 VanDerWaalsContact OD1-N 3.14Å; N346-S349 WeakPolarHBondContact O-CB 3.35Å; N346-S349 PolarHBondContact O-N 2.9Å; N346-S349 VanDerWaalsContact O-N 3.09Å; N346-S349 PolarHBondContact OD1-N 3.34Å; N346-S349 PolarHBondContact OD1-OG 2.95Å; N346-T350 PolarHBondContact O-N 3.12Å; N346-T350 PolarHBondContact O-OG1 3.11Å | ||
| 347 | L | 86.8 | Confident | 89.6 | Confident | 39 Ų | 39 | 28.2 Ų | 28.2 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -52.4 | -40.2 | -177.9 | 174.2 | 61.5 | 0 | 0 | 0 | 112.5 | E280 L345 T350 L351 | E280-L347 HydrophobicContact CG-CD1 3.88Å; E280-L347 HydrophobicContact CG-CD2 4.36Å; E280-L347 HydrophobicContact CG-CG 4.5Å; L345-L347 PolarHBondContact O-N 3.47Å; L347-T350 PolarHBondContact O-N 2.92Å; L347-L351 HydrophobicContact CD1-CD1 3.69Å; L347-L351 HydrophobicContact CD1-CD2 4.14Å; L347-L351 HydrophobicContact CD1-CG 3.65Å; L347-L351 HydrophobicContact CD2-CD1 4.32Å; L347-L351 HydrophobicContact CG-CD1 3.72Å; L347-L351 HydrophobicContact CG-CG 4.11Å; L347-L351 WeakPolarHBondContact O-CB 3.19Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 3.22Å |
| 348 | K | 84 | Confident | 90 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | -178.7 | -176.8 | 177.4 | -159.6 | 173.5 | 0 | 111.9 | E232 D244 L247 N346 R352 | E232-K348 HydrophobicContact CG-CD 4.38Å; E232-K348 WeakPolarHBondContact OE1-CD 3.48Å; E232-K348 WeakPolarHBondContact OE1-CE 3.49Å; E232-K348 IonicContact OE1-NZ 2.85Å; E232-K348 PolarHBondContact OE1-NZ 3.37Å; D244-K348 WeakPolarHBondContact OD1-CE 3.41Å; D244-K348 IonicContact OD1-NZ 2.84Å; D244-K348 PolarHBondContact OD1-NZ 3.35Å; L247-K348 HydrophobicContact CD1-CB 3.96Å; L247-K348 HydrophobicContact CD1-CD 3.61Å; L247-K348 HydrophobicContact CD1-CG 3.49Å; L247-K348 VanDerWaalsContact CD1-CG 3.49Å; N346-K348 PolarHBondContact O-N 3.41Å; N346-K348 VanDerWaalsContact O-N 3.15Å; N346-K348 WeakPolarHBondContact OD1-CB 3.34Å; N346-K348 PolarHBondContact OD1-N 2.98Å; N346-K348 VanDerWaalsContact OD1-N 3.14Å; K348-R352 WeakPolarHBondContact O-CB 3.5Å; K348-R352 VanDerWaalsContact O-CG 3.31Å; K348-R352 WeakPolarHBondContact O-CG 3.21Å; K348-R352 PolarHBondContact O-N 2.79Å |
| 349 | S | 88.2 | Confident | 90.2 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 173.1 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | D341 N346 L351 R352 V353 | D341-S349 WeakPolarHBondContact CB-OG 3.39Å; N346-S349 WeakPolarHBondContact O-CB 3.35Å; N346-S349 PolarHBondContact O-N 2.9Å; N346-S349 VanDerWaalsContact O-N 3.09Å; N346-S349 PolarHBondContact OD1-N 3.34Å; N346-S349 PolarHBondContact OD1-OG 2.95Å; S349-L351 PolarHBondContact O-N 3.45Å; S349-R352 PolarHBondContact O-N 3.45Å; S349-V353 WeakPolarHBondContact O-CG2 3.29Å; S349-V353 PolarHBondContact O-N 3.18Å; S349-V353 VanDerWaalsContact O-N 3.11Å |
| 350 | T | 91.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 178 | -54 | 0 | 0 | 0 | 0 | 111.9 | L279 F283 N346 L347 R352 V353 L354 | L279-T350 WeakPolarHBondContact O-CG2 3.31Å; F283-T350 HydrophobicContact CB-CG2 3.94Å; F283-T350 HydrophobicContact CD2-CG2 4.28Å; F283-T350 HydrophobicContact CG-CG2 4.37Å; N346-T350 PolarHBondContact O-N 3.12Å; N346-T350 PolarHBondContact O-OG1 3.11Å; L347-T350 PolarHBondContact O-N 2.92Å; T350-R352 VanDerWaalsContact C-N 3.35Å; T350-R352 PolarHBondContact O-N 3.19Å; T350-V353 PolarHBondContact O-N 3.12Å; T350-L354 HydrophobicContact CG2-CD1 4.03Å; T350-L354 HydrophobicContact CG2-CG 4.39Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 3.48Å |
| 351 | L | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -37.3 | 178.8 | -69.6 | 175.6 | 0 | 0 | 0 | 112.6 | F243 L254 K258 L261 L279 L347 S349 L354 Y355 | F243-L351 HydrophobicContact CD1-CB 4.47Å; F243-L351 HydrophobicContact CE1-CB 3.41Å; F243-L351 VanDerWaalsContact CE1-CB 3.41Å; F243-L351 HydrophobicContact CE1-CD1 3.69Å; F243-L351 HydrophobicContact CE1-CG 4.19Å; F243-L351 HydrophobicContact CZ-CB 3.49Å; F243-L351 VanDerWaalsContact CZ-CB 3.49Å; F243-L351 HydrophobicContact CZ-CD1 4.11Å; F243-L351 HydrophobicContact CZ-CG 4.34Å; L254-L351 HydrophobicContact CD1-CD1 3.76Å; K258-L351 HydrophobicContact CG-CD1 4.49Å; K258-L351 HydrophobicContact CG-CD2 4.11Å; L261-L351 HydrophobicContact CD1-CD2 3.66Å; L279-L351 HydrophobicContact CB-CD2 4.47Å; L279-L351 HydrophobicContact CD1-CD2 3.61Å; L347-L351 HydrophobicContact CD1-CD1 3.69Å; L347-L351 HydrophobicContact CD1-CD2 4.14Å; L347-L351 HydrophobicContact CD1-CG 3.65Å; L347-L351 HydrophobicContact CD2-CD1 4.32Å; L347-L351 HydrophobicContact CG-CD1 3.72Å; L347-L351 HydrophobicContact CG-CG 4.11Å; L347-L351 WeakPolarHBondContact O-CB 3.19Å; L347-L351 WeakPolarHBondContact O-CG 3.34Å; L347-L351 PolarHBondContact O-N 3.22Å; S349-L351 PolarHBondContact O-N 3.45Å; L351-L354 PolarHBondContact O-N 3.48Å; L351-Y355 WeakPolarHBondContact O-CB 3.5Å; L351-Y355 PolarHBondContact O-N 3.43Å |
| 352 | R | 87.8 | Confident | 90.1 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 23% | 0.23 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.8 | -80 | 175.5 | 169.3 | 139.5 | 2.4 | 112 | D241 F243 D244 K348 S349 T350 N356 | D241-R352 IonicContact OD1-CZ 3.36Å; D241-R352 IonicContact OD1-NE 2.79Å; D241-R352 IonicContact OD1-NH2 3.17Å; D241-R352 PolarHBondContact OD1-NH2 3.36Å; D241-R352 IonicContact OD2-CZ 3.86Å; D241-R352 IonicContact OD2-NE 2.54Å; D241-R352 PolarHBondContact OD2-NE 2.91Å; D241-R352 IonicContact OD2-NH2 2.79Å; D241-R352 PolarHBondContact OD2-NH2 3.34Å; D241-R352 VanDerWaalsContact OD2-NH2 3.17Å; F243-R352 HydrophobicContact CB-CG 4.38Å; F243-R352 HydrophobicContact CD1-CG 4.48Å; F243-R352 HydrophobicContact CG-CG 4.26Å; D244-R352 IonicContact OD1-CZ 2.59Å; D244-R352 IonicContact OD1-NH2 2.92Å; D244-R352 PolarHBondContact OD1-NH2 2.88Å; D244-R352 IonicContact OD2-NH2 3.67Å; D244-R352 PolarHBondContact OD2-NH2 3.34Å; K348-R352 WeakPolarHBondContact O-CB 3.5Å; K348-R352 VanDerWaalsContact O-CG 3.31Å; K348-R352 WeakPolarHBondContact O-CG 3.21Å; K348-R352 PolarHBondContact O-N 2.79Å; S349-R352 PolarHBondContact O-N 3.45Å; T350-R352 VanDerWaalsContact C-N 3.35Å; T350-R352 PolarHBondContact O-N 3.19Å; R352-N356 WeakPolarHBondContact O-CB 3.29Å; R352-N356 PolarHBondContact O-N 3.18Å |
| 353 | V | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -53.5 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 110.1 | L289 F324 M327 P335 A337 V342 S349 T350 Y355 N356 L357 | L289-V353 HydrophobicContact CD1-CG1 4.39Å; L289-V353 HydrophobicContact CD2-CG1 3.97Å; F324-V353 HydrophobicContact CE1-CG1 3.96Å; F324-V353 HydrophobicContact CE1-CG2 3.68Å; F324-V353 HydrophobicContact CZ-CG2 3.7Å; M327-V353 HydrophobicContact CE-CG1 3.72Å; M327-V353 HydrophobicContact SD-CG1 4.19Å; P335-V353 HydrophobicContact CB-CG2 4.2Å; A337-V353 HydrophobicContact CB-CG2 3.98Å; V342-V353 HydrophobicContact CG2-CG2 4.46Å; S349-V353 WeakPolarHBondContact O-CG2 3.29Å; S349-V353 PolarHBondContact O-N 3.18Å; S349-V353 VanDerWaalsContact O-N 3.11Å; T350-V353 PolarHBondContact O-N 3.12Å; V353-Y355 VanDerWaalsContact C-N 3.33Å; V353-Y355 PolarHBondContact O-N 3.22Å; V353-N356 WeakPolarHBondContact O-CB 3.36Å; V353-N356 PolarHBondContact O-N 2.94Å; V353-L357 PolarHBondContact O-N 2.73Å |
| 354 | L | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | -178.3 | -65.5 | 178.8 | 0 | 0 | 0 | 112.8 | L261 V265 L279 F283 L289 L292 T350 L351 L357 F358 | L261-L354 HydrophobicContact CD1-CB 4.16Å; L261-L354 HydrophobicContact CD2-CB 4.29Å; V265-L354 HydrophobicContact CG1-CD2 4.07Å; L279-L354 HydrophobicContact CB-CD1 4.45Å; L279-L354 HydrophobicContact CD1-CD1 4.3Å; L279-L354 HydrophobicContact CD2-CD1 3.78Å; L279-L354 HydrophobicContact CG-CD1 4.4Å; F283-L354 HydrophobicContact CD1-CD2 4.19Å; F283-L354 HydrophobicContact CD2-CD1 3.88Å; F283-L354 HydrophobicContact CD2-CD2 4.5Å; F283-L354 HydrophobicContact CE1-CD2 3.83Å; F283-L354 HydrophobicContact CE2-CD1 3.66Å; F283-L354 HydrophobicContact CE2-CD2 4.17Å; F283-L354 HydrophobicContact CG-CD2 4.5Å; F283-L354 HydrophobicContact CZ-CD1 4.14Å; F283-L354 HydrophobicContact CZ-CD2 3.83Å; L289-L354 HydrophobicContact CD2-CD2 3.82Å; L292-L354 HydrophobicContact CD2-CD2 4.28Å; T350-L354 HydrophobicContact CG2-CD1 4.03Å; T350-L354 HydrophobicContact CG2-CG 4.39Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 3.48Å; L351-L354 PolarHBondContact O-N 3.48Å; L354-L357 HydrophobicContact CD2-CD1 4.45Å; L354-L357 PolarHBondContact O-N 2.94Å; L354-F358 WeakPolarHBondContact O-CB 3.24Å; L354-F358 PolarHBondContact O-N 2.66Å |
| 355 | Y | 89.9 | Confident | 87.3 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.4 | -173.4 | -99.7 | 0 | 0 | 0 | 111.8 | F243 L261 L351 V353 L357 F358 T359 | F243-Y355 HydrophobicContact CE2-CD1 4.47Å; F243-Y355 HydrophobicContact CE2-CD2 4.31Å; F243-Y355 HydrophobicContact CE2-CG 4.02Å; L261-Y355 HydrophobicContact CD2-CD2 4.48Å; L351-Y355 WeakPolarHBondContact O-CB 3.5Å; L351-Y355 PolarHBondContact O-N 3.43Å; V353-Y355 VanDerWaalsContact C-N 3.33Å; V353-Y355 PolarHBondContact O-N 3.22Å; Y355-L357 VanDerWaalsContact C-N 3.34Å; Y355-L357 PolarHBondContact O-N 3.01Å; Y355-F358 HydrophobicContact CD2-CD1 4.32Å; Y355-F358 HydrophobicContact CE2-CD1 4.27Å; Y355-F358 PolarHBondContact O-N 3.45Å; Y355-T359 HydrophobicContact CD1-CG2 3.94Å; Y355-T359 HydrophobicContact CE1-CG2 3.47Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.47Å; Y355-T359 HydrophobicContact CE2-CG2 4.14Å; Y355-T359 HydrophobicContact CG-CG2 4.46Å; Y355-T359 WeakPolarHBondContact O-CG2 3.49Å; Y355-T359 PolarHBondContact O-N 3.29Å; Y355-T359 PolarHBondContact O-OG1 2.97Å |
| 356 | N | 89.8 | Confident | 87.1 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 172.4 | -171.6 | 12 | 0 | 0 | 0 | 110.5 | K333 R352 V353 F358 T359 N360 | K333-N356 PolarHBondContact O-ND2 2.94Å; R352-N356 WeakPolarHBondContact O-CB 3.29Å; R352-N356 PolarHBondContact O-N 3.18Å; V353-N356 WeakPolarHBondContact O-CB 3.36Å; V353-N356 PolarHBondContact O-N 2.94Å; N356-F358 PolarHBondContact O-N 3.03Å; N356-T359 PolarHBondContact O-N 3.28Å; N356-T359 PolarHBondContact O-OG1 3.4Å; N356-N360 PolarHBondContact O-N 2.89Å; N356-N360 PolarHBondContact O-ND2 2.91Å; N356-N360 PolarHBondContact OD1-ND2 2.93Å |
| 357 | L | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 174.6 | -62 | 179.3 | 0 | 0 | 0 | 111.8 | F264 L292 M293 L296 M327 L332 V353 L354 Y355 T359 N360 Y361 | F264-L357 HydrophobicContact CE1-CB 4.06Å; F264-L357 HydrophobicContact CZ-CB 4.39Å; L292-L357 HydrophobicContact CD2-CD1 3.72Å; L292-L357 HydrophobicContact CG-CD1 4.38Å; M293-L357 HydrophobicContact SD-CD1 4.39Å; M293-L357 HydrophobicContact SD-CD2 3.36Å; M293-L357 WeakPolarHBondContact SD-CD2 3.46Å; L296-L357 HydrophobicContact CD1-CB 4.24Å; L296-L357 HydrophobicContact CD1-CD1 4.36Å; L296-L357 HydrophobicContact CD1-CD2 4.21Å; M327-L357 HydrophobicContact CE-CD1 3.97Å; M327-L357 HydrophobicContact CE-CD2 4.07Å; M327-L357 HydrophobicContact CE-CG 4.29Å; M327-L357 HydrophobicContact CG-CD2 4.04Å; M327-L357 HydrophobicContact SD-CD2 4.1Å; L332-L357 HydrophobicContact CD2-CD2 3.84Å; V353-L357 PolarHBondContact O-N 2.73Å; L354-L357 HydrophobicContact CD2-CD1 4.45Å; L354-L357 PolarHBondContact O-N 2.94Å; Y355-L357 VanDerWaalsContact C-N 3.34Å; Y355-L357 PolarHBondContact O-N 3.01Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.42Å; L357-N360 PolarHBondContact O-N 3.32Å; L357-Y361 HydrophobicContact CD2-CD2 4.46Å; L357-Y361 HydrophobicContact CD2-CE2 4.23Å; L357-Y361 WeakPolarHBondContact O-CB 3.36Å; L357-Y361 VanDerWaalsContact O-CD2 3.3Å; L357-Y361 WeakPolarHBondContact O-CD2 3.46Å; L357-Y361 PolarHBondContact O-N 3.01Å |
| 358 | F | 92 | Very high | 87.1 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 19% | 0.193 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -46.7 | 178.4 | 173.1 | -101.4 | 0 | 0 | 0 | 112.2 | L261 F264 L354 Y355 N356 N360 Y361 K362 | L261-F358 HydrophobicContact CD2-CB 3.61Å; L261-F358 HydrophobicContact CD2-CG 4.03Å; F264-F358 HydrophobicContact CB-CD2 3.69Å; F264-F358 HydrophobicContact CB-CE2 4.24Å; F264-F358 HydrophobicContact CD1-CB 4.05Å; F264-F358 HydrophobicContact CD1-CD2 4.22Å; F264-F358 AromaticContact CD2-CD2 3.91Å; F264-F358 HydrophobicContact CD2-CD2 3.91Å; F264-F358 HydrophobicContact CE1-CB 4.23Å; F264-F358 HydrophobicContact CG-CB 4.34Å; F264-F358 AromaticContact CG-CD2 3.67Å; F264-F358 HydrophobicContact CG-CD2 3.67Å; L354-F358 WeakPolarHBondContact O-CB 3.24Å; L354-F358 PolarHBondContact O-N 2.66Å; Y355-F358 HydrophobicContact CD2-CD1 4.32Å; Y355-F358 HydrophobicContact CE2-CD1 4.27Å; Y355-F358 PolarHBondContact O-N 3.45Å; N356-F358 PolarHBondContact O-N 3.03Å; F358-N360 VanDerWaalsContact C-N 3.29Å; F358-N360 PolarHBondContact O-N 2.85Å; F358-Y361 PolarHBondContact O-N 2.81Å; F358-K362 HydrophobicContact CD2-CB 4.05Å; F358-K362 HydrophobicContact CE1-CD 4.43Å; F358-K362 HydrophobicContact CE2-CB 3.84Å; F358-K362 HydrophobicContact CZ-CB 4.15Å; F358-K362 HydrophobicContact CZ-CD 4.4Å; F358-K362 WeakPolarHBondContact O-CA 3.28Å; F358-K362 WeakPolarHBondContact O-CB 3.45Å; F358-K362 WeakPolarHBondContact O-CG 3.49Å; F358-K362 PolarHBondContact O-N 3.5Å |
| 359 | T | 89.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 34% | 0.344 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -32.5 | -177.5 | 53 | 0 | 0 | 0 | 0 | 113.7 | Y355 N356 L357 | Y355-T359 HydrophobicContact CD1-CG2 3.94Å; Y355-T359 HydrophobicContact CE1-CG2 3.47Å; Y355-T359 VanDerWaalsContact CE1-CG2 3.47Å; Y355-T359 HydrophobicContact CE2-CG2 4.14Å; Y355-T359 HydrophobicContact CG-CG2 4.46Å; Y355-T359 WeakPolarHBondContact O-CG2 3.49Å; Y355-T359 PolarHBondContact O-N 3.29Å; Y355-T359 PolarHBondContact O-OG1 2.97Å; N356-T359 PolarHBondContact O-N 3.28Å; N356-T359 PolarHBondContact O-OG1 3.4Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.42Å |
| 360 | N | 90.3 | Very high | 87.2 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -86.8 | -30.9 | -179.6 | -69.4 | -76.7 | 0 | 0 | 0 | 112.6 | L332 N356 L357 F358 | L332-N360 HydrophobicContact CD2-CB 4.4Å; N356-N360 PolarHBondContact O-N 2.89Å; N356-N360 PolarHBondContact O-ND2 2.91Å; N356-N360 PolarHBondContact OD1-ND2 2.93Å; L357-N360 PolarHBondContact O-N 3.32Å; F358-N360 VanDerWaalsContact C-N 3.29Å; F358-N360 PolarHBondContact O-N 2.85Å |
| 361 | Y | 91.7 | Very high | 86.9 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -119.1 | 6 | -171.7 | -61.5 | -87.5 | 0 | 0 | 0 | 115.5 | L296 E297 L332 L357 F358 N363 S364 | L296-Y361 HydrophobicContact CB-CD1 3.9Å; L296-Y361 HydrophobicContact CB-CE1 3.97Å; L296-Y361 HydrophobicContact CB-CG 4.19Å; L296-Y361 HydrophobicContact CD1-CD2 3.82Å; L296-Y361 HydrophobicContact CD1-CE2 4.21Å; L296-Y361 HydrophobicContact CD1-CG 4.01Å; L296-Y361 HydrophobicContact CD2-CD1 4.22Å; L296-Y361 HydrophobicContact CD2-CG 3.97Å; L296-Y361 HydrophobicContact CG-CD1 4.45Å; L296-Y361 HydrophobicContact CG-CG 4.27Å; E297-Y361 VanDerWaalsContact OE1-CE1 3.25Å; E297-Y361 WeakPolarHBondContact OE1-CE1 3.47Å; E297-Y361 VanDerWaalsContact OE1-CZ 3.24Å; E297-Y361 PolarHBondContact OE1-OH 3.38Å; L332-Y361 HydrophobicContact CD1-CE2 3.64Å; L332-Y361 WeakPolarHBondContact CD1-OH 3.39Å; L332-Y361 HydrophobicContact CD2-CE2 3.98Å; L332-Y361 HydrophobicContact CG-CE2 4.36Å; L357-Y361 HydrophobicContact CD2-CD2 4.46Å; L357-Y361 HydrophobicContact CD2-CE2 4.23Å; L357-Y361 WeakPolarHBondContact O-CB 3.36Å; L357-Y361 VanDerWaalsContact O-CD2 3.3Å; L357-Y361 WeakPolarHBondContact O-CD2 3.46Å; L357-Y361 PolarHBondContact O-N 3.01Å; F358-Y361 PolarHBondContact O-N 2.81Å; Y361-N363 PolarHBondContact O-N 3.08Å; Y361-S364 WeakPolarHBondContact O-CB 2.95Å; Y361-S364 PolarHBondContact O-N 2.85Å; Y361-S364 PolarHBondContact O-OG 3.18Å |
| 362 | K | 85.4 | Confident | 86.6 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -22.9 | 178.8 | 57 | 178.4 | -174.7 | -177.6 | 0 | 114.9 | F358 | F358-K362 HydrophobicContact CD2-CB 4.05Å; F358-K362 HydrophobicContact CE1-CD 4.43Å; F358-K362 HydrophobicContact CE2-CB 3.84Å; F358-K362 HydrophobicContact CZ-CB 4.15Å; F358-K362 HydrophobicContact CZ-CD 4.4Å; F358-K362 WeakPolarHBondContact O-CA 3.28Å; F358-K362 WeakPolarHBondContact O-CB 3.45Å; F358-K362 WeakPolarHBondContact O-CG 3.49Å; F358-K362 PolarHBondContact O-N 3.5Å |
| 363 | N | 83.1 | Confident | 86.6 | Confident | 139 Ų | 139 | 61.5 Ų | 61.5 | 74% | 0.743 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.2 | -180 | -61.4 | -25 | 0 | 0 | 0 | 112.9 | Y361 | Y361-N363 PolarHBondContact O-N 3.08Š|
| 364 | S | 74.9 | Confident | 86.1 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | trans | -81.5 | 141.7 | 177 | -56.5 | 0 | 0 | 0 | 0 | 110 | K267 Y361 | K267-S364 PolarHBondContact NZ-O 2.92Å; Y361-S364 WeakPolarHBondContact O-CB 2.95Å; Y361-S364 PolarHBondContact O-N 2.85Å; Y361-S364 PolarHBondContact O-OG 3.18Å | ||
| 365 | D | 60.2 | Low | 85.4 | Confident | 160 Ų | 160 | 72.5 Ų | 72.5 | 86% | 0.856 | 37% | 0.369 | S | S | * | . | trans | -90.7 | 0 | -171.5 | -79.7 | -31.7 | 0 | 0 | 0 | 115.1 | K267 K271 | K267-D365 IonicContact NZ-OD1 3.62Å; K271-D365 PolarHBondContact NZ-O 3.13Å; K271-D365 PolarHBondContact NZ-OXT 3Å |
Retrieved 365 of 365 residues in 1115.6 ms
(Link to these results)