| 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 | V | 32.1 | Very low | 33.2 | Very low | 191 Ų | 191 | 160.7 Ų | 160.7 | 100% | 1.158 | 83% | 0.834 | S | S | * | * | 0 | 128.9 | 0 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2 | Y | 28.7 | Very low | 33.4 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | 19.9 | 119.7 | 175.5 | -73.6 | -83.1 | 0 | 0 | 0 | 122.8 | ||||
| 3 | K | 33.4 | Very low | 34.2 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -63.1 | 155.9 | 146 | -83.6 | 179.6 | 171 | 178.2 | 0 | 110.3 | ||||
| 4 | M | 29.6 | Very low | 35.4 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | -141.1 | 132 | 162.5 | -148.2 | 140 | 166.9 | 0 | 0 | 111.4 | ||||
| 5 | N | 31.2 | Very low | 35.4 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -96.6 | 155.3 | -179.2 | -64.5 | -30.9 | 0 | 0 | 0 | 111 | ||||
| 6 | I | 34.5 | Very low | 35.3 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -138.1 | 92 | 159.2 | -57.6 | -178.8 | 0 | 0 | 0 | 106.8 | ||||
| 7 | C | 34 | Very low | 35.4 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 72% | 0.716 | 74% | 0.743 | S | S | * | * | 63.5 | 94.9 | 94 | -73.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 8 | N | 31.8 | Very low | 35.3 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | 68.2 | 115.2 | 87.8 | -98.4 | -9.4 | 0 | 0 | 0 | 116.6 | |||||
| 9 | K | 30.4 | Very low | 35.3 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -142.7 | 152 | 157.7 | -119.1 | 180 | 177.3 | 173.3 | 0 | 108.3 | ||||
| 10 | P | 36.9 | Very low | 35.1 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -81.4 | 152.3 | -148.4 | 30.5 | -36.1 | 0 | 0 | 0 | 116.1 | ||||
| 11 | S | 43 | Very low | 35 | Very low | 73 Ų | 73 | 145.8 Ų | 145.8 | 51% | 0.51 | 76% | 0.761 | S | S | . | * | trans | -92.1 | 142.7 | 178.7 | 131.4 | 0 | 0 | 0 | 0 | 111.5 | H130 | S11-H130 VanDerWaalsContact CB-CE1 3.45Å; S11-H130 WeakPolarHBondContact CB-CE1 3.32Å; S11-H130 PolarHBondContact OG-CE1 3.15Å | ||
| 12 | N | 35.7 | Very low | 35 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 54% | 0.54 | 75% | 0.746 | S | S | . | * | trans | -177.9 | 115.6 | 136.6 | -107.8 | -47.9 | 0 | 0 | 0 | 112.2 | ||||
| 13 | K | 43.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 137 Ų | 137 | 50% | 0.5 | 74% | 0.74 | S | S | . | * | trans | -123.1 | 29.2 | 170.5 | -74.3 | -175 | -173 | 166.8 | 0 | 112.5 | ||||
| 14 | T | 50 | Low | 35.1 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 39% | 0.393 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -130.1 | 138.4 | -179.1 | 20.3 | 0 | 0 | 0 | 0 | 111.3 | V131 | T14-V131 HydrophobicContact CG2-CG2 4.13Š|
| 15 | A | 35.3 | Very low | 35.8 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 57% | 0.57 | 73% | 0.733 | S | S | * | * | trans | -74.5 | 144.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 16 | P | 33.6 | Very low | 35.9 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 73% | 0.734 | S | S | * | * | trans | -72.4 | 139.1 | -176.9 | 29.9 | -34.4 | 0 | 0 | 0 | 111 | ||||
| 17 | E | 37.3 | Very low | 35.7 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -115.3 | 140.7 | 167 | -171.8 | 160.9 | -149.6 | 0 | 0 | 109.4 | ||||
| 18 | K | 34 | Very low | 36 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -60 | 135.6 | 179.5 | 48.8 | -176.7 | 174.6 | 170.8 | 0 | 111.5 | ||||
| 19 | S | 34.5 | Very low | 36.1 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -71.1 | 145.1 | -176.4 | 41.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 20 | V | 32.3 | Very low | 36.3 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | trans | -120.4 | 140.7 | 165 | 175.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 21 | W | 32.5 | Very low | 36.1 | Very low | 239 Ų | 239 | 127.9 Ų | 127.9 | 91% | 0.905 | 73% | 0.727 | S | S | * | * | trans | -72.5 | 150.6 | -169.2 | -72.7 | 85.6 | 0 | 0 | 0 | 113.7 | ||||
| 22 | T | 32 | Very low | 35.5 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -73.6 | 146.1 | 178.3 | 27.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 23 | A | 31.1 | Very low | 35.8 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | -127.7 | 151.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | P | 33.4 | Very low | 35.7 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | trans | -79.3 | 169.5 | -173.9 | 32.9 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 25 | P | 43.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | -95.9 | 160.9 | -155.2 | 36.2 | -36.8 | 0 | 0 | 0 | 117.4 | ||||
| 26 | A | 34.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 83.9 | 111.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 27 | Q | 29.4 | Very low | 36.8 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | -167.1 | 154.6 | 111.1 | -87.8 | -58.7 | -29.3 | 0 | 0 | 108.2 | S29 | Q27-S29 PolarHBondContact O-N 3.36Å; Q27-S29 VanDerWaalsContact O-N 3.14Å | |||
| 28 | P | 42.1 | Very low | 38.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -88.1 | 83.3 | -170.4 | 35.2 | -32.4 | 0 | 0 | 0 | 112.1 | ||||
| 29 | S | 33.6 | Very low | 40.5 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 156.6 | 167.6 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | Q27 | Q27-S29 PolarHBondContact O-N 3.36Å; Q27-S29 VanDerWaalsContact O-N 3.14Å |
| 30 | R | 34.1 | Very low | 43 | Very low | 230 Ų | 230 | 130.7 Ų | 130.7 | 87% | 0.868 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 143.2 | -172.5 | -68.2 | 171.5 | 174.2 | 161.7 | -3 | 112.4 | S32 | R30-S32 PolarHBondContact O-N 3.42Å; R30-S32 VanDerWaalsContact O-N 3.15Å |
| 31 | P | 31.9 | Very low | 45.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 122.3 | -179.4 | 24.6 | -34 | 0 | 0 | 0 | 110.9 | ||
| 32 | S | 31.6 | Very low | 48.7 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 54% | 0.538 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 146.8 | 174 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | R30 E34 L35 | R30-S32 PolarHBondContact O-N 3.42Å; R30-S32 VanDerWaalsContact O-N 3.15Å; S32-E34 PolarHBondContact O-N 3.26Å; S32-L35 PolarHBondContact O-N 3.32Å |
| 33 | P | 41.5 | Very low | 51.7 | Low | 105 Ų | 105 | 116 Ų | 116 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -56.7 | -24.2 | -177.4 | -26 | 34.9 | 0 | 0 | 0 | 114.6 | L35 Q36 | P33-L35 VanDerWaalsContact C-N 3.26Å; P33-L35 PolarHBondContact O-N 2.66Å; P33-Q36 WeakPolarHBondContact O-CB 3.27Å; P33-Q36 WeakPolarHBondContact O-CG 3.44Å; P33-Q36 PolarHBondContact O-N 3.23Å |
| 34 | E | 41.5 | Very low | 54.8 | Low | 188 Ų | 188 | 111.6 Ų | 111.6 | 88% | 0.879 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -72 | -14.1 | -179.9 | -64.8 | 177.9 | 120.4 | 0 | 0 | 114.1 | S32 Q36 | S32-E34 PolarHBondContact O-N 3.26Å; E34-Q36 VanDerWaalsContact C-N 3.31Å |
| 35 | L | 41.2 | Very low | 57.8 | Low | 120 Ų | 120 | 111.4 Ų | 111.4 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -93.2 | 18.5 | 172.6 | -148.7 | 75.3 | 0 | 0 | 0 | 113.1 | S32 P33 G37 I122 | S32-L35 PolarHBondContact O-N 3.32Å; P33-L35 VanDerWaalsContact C-N 3.26Å; P33-L35 PolarHBondContact O-N 2.66Å; L35-G37 PolarHBondContact O-N 3.44Å; L35-I122 HydrophobicContact CD1-CD1 4.07Å; L35-I122 HydrophobicContact CD2-CD1 4.04Å; L35-I122 HydrophobicContact CG-CD1 4.07Å |
| 36 | Q | 45.3 | Very low | 60.2 | Low | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -70.2 | 99.8 | 164.6 | -72.8 | -175.7 | 3.9 | 0 | 0 | 109.3 | P33 E34 Q38 | P33-Q36 WeakPolarHBondContact O-CB 3.27Å; P33-Q36 WeakPolarHBondContact O-CG 3.44Å; P33-Q36 PolarHBondContact O-N 3.23Å; E34-Q36 VanDerWaalsContact C-N 3.31Å; Q36-Q38 PolarHBondContact O-N 2.81Å; Q36-Q38 VanDerWaalsContact O-N 3.16Å |
| 37 | G | 55.8 | Low | 62.9 | Low | 24 Ų | 24 | 112.9 Ų | 112.9 | 25% | 0.247 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -47.3 | 121.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L35 R39 P119 | L35-G37 PolarHBondContact O-N 3.44Å; G37-R39 PolarHBondContact O-N 2.97Å; G37-P119 WeakPolarHBondContact O-CA 3.45Å; G37-P119 WeakPolarHBondContact O-CB 3.24Å |
| 38 | Q | 67.9 | Low | 65.9 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 125 | -172.7 | -77.5 | -178.6 | -19.3 | 0 | 0 | 110.8 | Q36 N155 | Q36-Q38 PolarHBondContact O-N 2.81Å; Q36-Q38 VanDerWaalsContact O-N 3.16Å; Q38-N155 WeakPolarHBondContact CB-ND2 3.48Å; Q38-N155 PolarHBondContact OE1-ND2 3.21Å |
| 39 | R | 80.6 | Confident | 68.3 | Low | 213 Ų | 213 | 104.9 Ų | 104.9 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 145.7 | 178 | -66.4 | -176.7 | -178.8 | -177.4 | 0.2 | 110.8 | G37 | G37-R39 PolarHBondContact O-N 2.97Š|
| 40 | S | 87.6 | Confident | 71.3 | Confident | 22 Ų | 22 | 102.1 Ų | 102.1 | 15% | 0.154 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 135.7 | 175.5 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | R42 Y116 N155 | S40-R42 PolarHBondContact O-N 2.77Å; S40-Y116 WeakPolarHBondContact OG-CE1 3.38Å; S40-N155 VanDerWaalsContact CB-O 3.27Å; S40-N155 WeakPolarHBondContact CB-O 3.16Å; S40-N155 PolarHBondContact OG-O 3.24Å |
| 41 | R | 91.2 | Very high | 74.3 | Confident | 27 Ų | 27 | 95.4 Ų | 95.4 | 10% | 0.102 | 48% | 0.477 | C | S | . | . | trans | -85.8 | 103.6 | 179.6 | 173.1 | 170.7 | -69.7 | -76.1 | -0.1 | 110 | N43 S46 P48 C154 K156 N169 | R41-N43 WeakPolarHBondContact CG-O 3.4Å; R41-S46 PolarHBondContact NH1-O 2.99Å; R41-P48 PolarHBondContact NH2-O 3.24Å; R41-C154 HydrophobicContact CB-CB 4.1Å; R41-C154 WeakPolarHBondContact CB-O 3.48Å; R41-C154 VanDerWaalsContact CD-SG 3.57Å; R41-C154 PolarHBondContact N-O 2.94Å; R41-K156 VanDerWaalsContact O-CD 3.27Å; R41-K156 WeakPolarHBondContact O-CD 3.17Å; R41-K156 VanDerWaalsContact O-CE 3.25Å; R41-K156 WeakPolarHBondContact O-CE 3.45Å; R41-K156 PolarHBondContact O-NZ 3.23Å; R41-N169 WeakPolarHBondContact CD-O 3.43Å; R41-N169 VanDerWaalsContact NH1-CG 3.33Å; R41-N169 PolarHBondContact NH1-ND2 3.03Å; R41-N169 PolarHBondContact NH1-OD1 3.24Å | ||
| 42 | R | 92.9 | Very high | 77.4 | Confident | 153 Ų | 153 | 92.2 Ų | 92.2 | 58% | 0.577 | 45% | 0.453 | S | S | * | . | trans | -62.9 | -45.9 | -179.6 | -167.3 | 175.3 | -172.8 | -172.8 | 3.9 | 112.7 | S40 S46 D105 Y116 K156 | S40-R42 PolarHBondContact O-N 2.77Å; R42-S46 PolarHBondContact N-OG 2.85Å; R42-D105 HydrophobicContact CG-CB 4.39Å; R42-D105 WeakPolarHBondContact CG-OD2 3.5Å; R42-D105 IonicContact NE-OD2 2.66Å; R42-D105 WeakPolarHBondContact O-CA 3.4Å; R42-D105 WeakPolarHBondContact O-CB 3.32Å; R42-D105 VanDerWaalsContact O-OD1 3.09Å; R42-Y116 HydrophobicContact CB-CE2 4.35Å; R42-Y116 HydrophobicContact CG-CD2 4.21Å; R42-Y116 HydrophobicContact CG-CE2 3.78Å; R42-K156 PolarHBondContact O-NZ 3.43Å | ||
| 43 | N | 95.6 | Very high | 80.5 | Confident | 29 Ų | 29 | 89.1 Ų | 89.1 | 16% | 0.155 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -160.1 | -170.5 | 179.7 | 63.1 | 13.6 | 0 | 0 | 0 | 111.1 | R41 W45 S46 S103 | R41-N43 WeakPolarHBondContact CG-O 3.4Å; N43-W45 PolarHBondContact O-N 2.75Å; N43-W45 VanDerWaalsContact O-N 3.1Å; N43-W45 WeakPolarHBondContact OD1-CB 3.46Å; N43-W45 PolarHBondContact OD1-N 2.7Å; N43-W45 VanDerWaalsContact OD1-N 3.12Å; N43-S46 PolarHBondContact N-OG 3.48Å; N43-S46 PolarHBondContact O-N 2.9Å; N43-S46 VanDerWaalsContact O-N 3.15Å; N43-S46 PolarHBondContact O-OG 3.35Å; N43-S46 VanDerWaalsContact O-OG 3.09Å; N43-S103 WeakPolarHBondContact CB-O 3.44Å; N43-S103 PolarHBondContact ND2-O 3.27Å |
| 44 | G | 96.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -8.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q53 V102 L168 N169 | G44-Q53 PolarHBondContact O-NE2 3.03Å; G44-Q53 PolarHBondContact O-OE1 3.26Å; G44-V102 PolarHBondContact N-O 3.01Å; G44-L168 VanDerWaalsContact CA-O 3.28Å; G44-L168 WeakPolarHBondContact CA-O 3.48Å; G44-N169 WeakPolarHBondContact CA-O 3.38Å; G44-N169 PolarHBondContact O-ND2 2.87Å; G44-N169 VanDerWaalsContact O-ND2 3.14Å |
| 45 | W | 96.6 | Very high | 85.8 | Confident | 119 Ų | 119 | 82.2 Ų | 82.2 | 45% | 0.451 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -6.1 | 176.4 | -55.4 | 115.8 | 0 | 0 | 0 | 114.1 | N43 W57 L99 V102 S103 | N43-W45 PolarHBondContact O-N 2.75Å; N43-W45 VanDerWaalsContact O-N 3.1Å; N43-W45 WeakPolarHBondContact OD1-CB 3.46Å; N43-W45 PolarHBondContact OD1-N 2.7Å; N43-W45 VanDerWaalsContact OD1-N 3.12Å; W45-W57 AromaticContact CH2-CH2 3.55Å; W45-W57 HydrophobicContact CH2-CH2 3.55Å; W45-W57 AromaticContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CH2-CZ2 3.49Å; W45-W57 VanDerWaalsContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CZ2-CH2 4.5Å; W45-W57 HydrophobicContact CZ2-CZ2 4.34Å; W45-W57 HydrophobicContact CZ3-CH2 4.3Å; W45-W57 HydrophobicContact CZ3-CZ2 4.19Å; W45-L99 HydrophobicContact CH2-CD2 4.13Å; W45-L99 HydrophobicContact CZ2-CD2 4.03Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CE3-CG1 4.41Å; W45-V102 HydrophobicContact CG-CG1 4.38Å; W45-V102 HydrophobicContact CH2-CG1 4.31Å; W45-V102 HydrophobicContact CZ2-CB 4.41Å; W45-V102 HydrophobicContact CZ2-CG1 3.77Å; W45-S103 PolarHBondContact NE1-OG 3.35Å |
| 46 | S | 93.3 | Very high | 88.5 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -69.1 | 141.1 | 179.5 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | R41 R42 N43 P48 | R41-S46 PolarHBondContact NH1-O 2.99Å; R42-S46 PolarHBondContact N-OG 2.85Å; N43-S46 PolarHBondContact N-OG 3.48Å; N43-S46 PolarHBondContact O-N 2.9Å; N43-S46 VanDerWaalsContact O-N 3.15Å; N43-S46 PolarHBondContact O-OG 3.35Å; N43-S46 VanDerWaalsContact O-OG 3.09Å; S46-P48 CarbonylContact O-C 3.47Å |
| 47 | W | 90.4 | Very high | 91 | Very high | 219 Ų | 219 | 74.2 Ų | 74.2 | 83% | 0.83 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -76.5 | 145.7 | 178.3 | -96.2 | 79.8 | 0 | 0 | 0 | 112.2 | P49 | W47-P49 VanDerWaalsContact CE3-CD 3.48Å; W47-P49 HydrophobicContact CH2-CG 4.08Å; W47-P49 HydrophobicContact CZ2-CG 4.18Å; W47-P49 HydrophobicContact CZ3-CG 4.32Å |
| 48 | P | 92.5 | Very high | 93 | Very high | 85 Ų | 85 | 78.1 Ų | 78.1 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | S | Bend | cis | -77.5 | 155.2 | -6.8 | 31.5 | -34.8 | 0 | 0 | 0 | 113.3 | R41 S46 N169 | R41-P48 PolarHBondContact NH2-O 3.24Å; S46-P48 CarbonylContact O-C 3.47Å; P48-N169 PolarHBondContact O-ND2 3.37Å |
| 49 | P | 93.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 74.1 Ų | 74.1 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 142.6 | 165.1 | 29.4 | -33.5 | 0 | 0 | 0 | 110.7 | W47 I54 N169 | W47-P49 VanDerWaalsContact CE3-CD 3.48Å; W47-P49 HydrophobicContact CH2-CG 4.08Å; W47-P49 HydrophobicContact CZ2-CG 4.18Å; W47-P49 HydrophobicContact CZ3-CG 4.32Å; P49-I54 HydrophobicContact CB-CD1 4.4Å; P49-I54 HydrophobicContact CB-CG1 4.45Å; P49-I54 HydrophobicContact CG-CD1 4.27Å; P49-N169 WeakPolarHBondContact CA-ND2 3.33Å |
| 50 | H | 95.3 | Very high | 95.2 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -81 | 136 | 175.1 | -172.6 | -81.3 | 0 | 0 | 0 | 109.8 | L52 Q53 I54 K166 N169 | H50-L52 VanDerWaalsContact C-N 3.27Å; H50-L52 PolarHBondContact ND1-N 3.14Å; H50-L52 PolarHBondContact O-N 3.49Å; H50-L52 VanDerWaalsContact O-N 3.11Å; H50-Q53 WeakPolarHBondContact O-CA 3.41Å; H50-Q53 WeakPolarHBondContact O-CB 3.48Å; H50-Q53 PolarHBondContact O-N 2.87Å; H50-I54 PolarHBondContact O-N 3.04Å; H50-K166 PolarHBondContact ND1-O 3.48Å; H50-N169 HydrophobicContact CB-CB 4.14Å |
| 51 | P | 97.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 70.2 Ų | 70.2 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -53.7 | -38 | -176 | -30.4 | 36.1 | 0 | 0 | 0 | 114.8 | Q53 I54 V55 | P51-Q53 VanDerWaalsContact C-N 3.28Å; P51-Q53 PolarHBondContact O-N 3.47Å; P51-I54 WeakPolarHBondContact O-CB 3.48Å; P51-I54 PolarHBondContact O-N 2.7Å; P51-I54 VanDerWaalsContact O-N 3.1Å; P51-V55 WeakPolarHBondContact O-CG2 3.35Å; P51-V55 PolarHBondContact O-N 3.5Å |
| 52 | L | 97.1 | Very high | 96 | Very high | 48 Ų | 48 | 72.1 Ų | 72.1 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -30 | 175.4 | -64.8 | 178.1 | 0 | 0 | 0 | 113.9 | H50 V55 A56 K166 W167 | H50-L52 VanDerWaalsContact C-N 3.27Å; H50-L52 PolarHBondContact ND1-N 3.14Å; H50-L52 PolarHBondContact O-N 3.49Å; H50-L52 VanDerWaalsContact O-N 3.11Å; L52-V55 PolarHBondContact O-N 2.98Å; L52-A56 PolarHBondContact O-N 2.94Å; L52-K166 HydrophobicContact CD1-CB 3.94Å; L52-K166 HydrophobicContact CD1-CD 4.2Å; L52-W167 HydrophobicContact CB-CD2 4.04Å; L52-W167 HydrophobicContact CB-CE3 3.76Å; L52-W167 HydrophobicContact CB-CH2 4.46Å; L52-W167 HydrophobicContact CB-CZ3 3.99Å; L52-W167 HydrophobicContact CD1-CZ2 4.35Å; L52-W167 HydrophobicContact CD2-CH2 3.87Å; L52-W167 HydrophobicContact CD2-CZ2 4.24Å; L52-W167 HydrophobicContact CD2-CZ3 4.09Å; L52-W167 WeakPolarHBondContact O-CZ3 3.15Å |
| 53 | Q | 97.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 171.4 | -174 | -174.6 | 20.5 | 0 | 0 | 109.8 | G44 H50 P51 V55 A56 W57 N169 | G44-Q53 PolarHBondContact O-NE2 3.03Å; G44-Q53 PolarHBondContact O-OE1 3.26Å; H50-Q53 WeakPolarHBondContact O-CA 3.41Å; H50-Q53 WeakPolarHBondContact O-CB 3.48Å; H50-Q53 PolarHBondContact O-N 2.87Å; P51-Q53 VanDerWaalsContact C-N 3.28Å; P51-Q53 PolarHBondContact O-N 3.47Å; Q53-V55 VanDerWaalsContact C-N 3.32Å; Q53-V55 PolarHBondContact O-N 2.77Å; Q53-A56 PolarHBondContact O-N 2.51Å; Q53-W57 PolarHBondContact O-N 2.77Å; Q53-W57 VanDerWaalsContact O-N 3.16Å; Q53-N169 HydrophobicContact CB-CB 4.22Å; Q53-N169 VanDerWaalsContact CD-CB 3.47Å; Q53-N169 HydrophobicContact CG-CB 4.28Å; Q53-N169 PolarHBondContact OE1-ND2 3.43Å; Q53-N169 VanDerWaalsContact OE1-ND2 3.15Å |
| 54 | I | 97.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 64.7 Ų | 64.7 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 177.8 | -54.7 | 174.3 | 0 | 0 | 0 | 110.5 | P49 H50 P51 A56 W57 L58 | P49-I54 HydrophobicContact CB-CD1 4.4Å; P49-I54 HydrophobicContact CB-CG1 4.45Å; P49-I54 HydrophobicContact CG-CD1 4.27Å; H50-I54 PolarHBondContact O-N 3.04Å; P51-I54 WeakPolarHBondContact O-CB 3.48Å; P51-I54 PolarHBondContact O-N 2.7Å; P51-I54 VanDerWaalsContact O-N 3.1Å; I54-A56 PolarHBondContact O-N 3.39Å; I54-W57 PolarHBondContact O-N 2.97Å; I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.26Å; I54-L58 PolarHBondContact O-N 3.08Å |
| 55 | V | 97.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 67.7 Ų | 67.7 | 38% | 0.376 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | P51 L52 Q53 W57 L58 L59 W167 | P51-V55 WeakPolarHBondContact O-CG2 3.35Å; P51-V55 PolarHBondContact O-N 3.5Å; L52-V55 PolarHBondContact O-N 2.98Å; Q53-V55 VanDerWaalsContact C-N 3.32Å; Q53-V55 PolarHBondContact O-N 2.77Å; V55-W57 VanDerWaalsContact C-N 3.27Å; V55-W57 PolarHBondContact O-N 2.76Å; V55-L58 PolarHBondContact O-N 3.29Å; V55-L59 HydrophobicContact CG1-CD1 3.89Å; V55-L59 HydrophobicContact CG1-CG 4.34Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.46Å; V55-L59 PolarHBondContact O-N 3.39Å; V55-W167 HydrophobicContact CG1-CZ3 4.37Å |
| 56 | A | 96.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 63 Ų | 63 | 21% | 0.207 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L52 Q53 I54 Y60 W167 | L52-A56 PolarHBondContact O-N 2.94Å; Q53-A56 PolarHBondContact O-N 2.51Å; I54-A56 PolarHBondContact O-N 3.39Å; A56-Y60 WeakPolarHBondContact O-CB 3.31Å; A56-Y60 PolarHBondContact O-N 3.1Å; A56-W167 HydrophobicContact CB-CE3 3.93Å; A56-W167 HydrophobicContact CB-CZ3 4.35Å |
| 57 | W | 97.8 | Very high | 96.4 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.9 | -40 | 179.1 | -79.8 | 59.4 | 0 | 0 | 0 | 113 | W45 Q53 I54 V55 Y60 L61 H98 L99 | W45-W57 AromaticContact CH2-CH2 3.55Å; W45-W57 HydrophobicContact CH2-CH2 3.55Å; W45-W57 AromaticContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CH2-CZ2 3.49Å; W45-W57 VanDerWaalsContact CH2-CZ2 3.49Å; W45-W57 HydrophobicContact CZ2-CH2 4.5Å; W45-W57 HydrophobicContact CZ2-CZ2 4.34Å; W45-W57 HydrophobicContact CZ3-CH2 4.3Å; W45-W57 HydrophobicContact CZ3-CZ2 4.19Å; Q53-W57 PolarHBondContact O-N 2.77Å; Q53-W57 VanDerWaalsContact O-N 3.16Å; I54-W57 PolarHBondContact O-N 2.97Å; V55-W57 VanDerWaalsContact C-N 3.27Å; V55-W57 PolarHBondContact O-N 2.76Å; W57-Y60 PolarHBondContact O-N 3.05Å; W57-L61 WeakPolarHBondContact O-CB 3.31Å; W57-L61 PolarHBondContact O-N 3.1Å; W57-H98 AromaticContact CD1-NE2 3.93Å; W57-H98 AromaticContact NE1-CD2 3.71Å; W57-H98 AromaticContact NE1-NE2 3.16Å; W57-H98 PolarHBondContact NE1-NE2 3.01Å; W57-H98 VanDerWaalsContact NE1-NE2 3.16Å; W57-L99 HydrophobicContact CH2-CD2 3.26Å; W57-L99 HydrophobicContact CZ2-CD2 3.52Å; W57-L99 HydrophobicContact CZ3-CD2 4.38Å |
| 58 | L | 97.7 | Very high | 96.7 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 56% | 0.56 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 172.5 | -68.9 | 173.3 | 0 | 0 | 0 | 111.6 | I54 V55 L61 F62 | I54-L58 HydrophobicContact CG2-CD1 4.03Å; I54-L58 HydrophobicContact CG2-CG 4.34Å; I54-L58 WeakPolarHBondContact O-CG 3.26Å; I54-L58 PolarHBondContact O-N 3.08Å; V55-L58 PolarHBondContact O-N 3.29Å; L58-L61 PolarHBondContact O-N 2.76Å; L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.5Å; L58-F62 PolarHBondContact O-N 3.43Å |
| 59 | L | 96.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 49.9 Ų | 49.9 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.2 | -73.6 | 170.8 | 0 | 0 | 0 | 112.1 | V55 F62 F63 L254 | V55-L59 HydrophobicContact CG1-CD1 3.89Å; V55-L59 HydrophobicContact CG1-CG 4.34Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.46Å; V55-L59 PolarHBondContact O-N 3.39Å; L59-F62 PolarHBondContact O-N 3.07Å; L59-F63 HydrophobicContact CB-CE2 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CD2 3.2Å; L59-F63 WeakPolarHBondContact O-CG 3.38Å; L59-F63 PolarHBondContact O-N 3.2Å; L59-L254 HydrophobicContact CD2-CD2 3.97Å |
| 60 | Y | 98.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 174.8 | 173.6 | -93.9 | 0 | 0 | 0 | 111.6 | A56 W57 F63 A64 F91 H94 L95 | A56-Y60 WeakPolarHBondContact O-CB 3.31Å; A56-Y60 PolarHBondContact O-N 3.1Å; W57-Y60 PolarHBondContact O-N 3.05Å; Y60-F63 PolarHBondContact O-N 2.84Å; Y60-A64 WeakPolarHBondContact O-CB 3.19Å; Y60-A64 PolarHBondContact O-N 2.69Å; Y60-F91 HydrophobicContact CD2-CD1 4.22Å; Y60-F91 HydrophobicContact CD2-CE1 4.43Å; Y60-F91 HydrophobicContact CE2-CB 4.41Å; Y60-F91 AromaticContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CE1 4.16Å; Y60-F91 HydrophobicContact CE2-CG 4.29Å; Y60-F91 AromaticContact CZ-CD1 3.91Å; Y60-F91 PolarHBondContact OH-O 3.12Å; Y60-H94 AromaticContact CD2-CD2 3.69Å; Y60-H94 AromaticContact CE2-CD2 3.75Å; Y60-L95 HydrophobicContact CE1-CD1 4.19Å |
| 61 | L | 97.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 45.9 Ų | 45.9 | 53% | 0.534 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.8 | -179.4 | 62.9 | 0 | 0 | 0 | 111.5 | W57 L58 A64 V65 | W57-L61 WeakPolarHBondContact O-CB 3.31Å; W57-L61 PolarHBondContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 2.76Å; L61-A64 PolarHBondContact O-N 3.23Å; L61-V65 HydrophobicContact CD1-CG2 3.92Å; L61-V65 HydrophobicContact CG-CG2 4.27Å; L61-V65 WeakPolarHBondContact O-CB 3.43Å; L61-V65 VanDerWaalsContact O-CG2 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.41Å; L61-V65 PolarHBondContact O-N 2.99Å |
| 62 | F | 97.4 | Very high | 96.8 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.9 | -52.7 | 175.5 | 171.2 | -103.9 | 0 | 0 | 0 | 111.4 | L58 L59 A64 V65 I66 L247 L251 L254 | L58-F62 VanDerWaalsContact O-CB 3.29Å; L58-F62 WeakPolarHBondContact O-CB 3.5Å; L58-F62 PolarHBondContact O-N 3.43Å; L59-F62 PolarHBondContact O-N 3.07Å; F62-A64 VanDerWaalsContact C-N 3.31Å; F62-A64 PolarHBondContact O-N 3.12Å; F62-V65 PolarHBondContact O-N 3.21Å; F62-I66 HydrophobicContact CD2-CG1 4.03Å; F62-I66 HydrophobicContact CE2-CD1 4.37Å; F62-I66 HydrophobicContact CE2-CG1 3.77Å; F62-I66 HydrophobicContact CZ-CG1 4.18Å; F62-I66 WeakPolarHBondContact O-CG1 3.38Å; F62-I66 PolarHBondContact O-N 3.16Å; F62-L247 HydrophobicContact CZ-CD1 4.48Å; F62-L251 HydrophobicContact CD1-CD2 4.41Å; F62-L251 HydrophobicContact CE1-CD2 3.6Å; F62-L251 HydrophobicContact CE1-CG 4.47Å; F62-L251 HydrophobicContact CZ-CD2 4.06Å; F62-L254 HydrophobicContact CD1-CD2 4.25Å; F62-L254 HydrophobicContact CE1-CD2 3.9Å |
| 63 | F | 97.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 178.3 | -71.5 | -43.1 | 0 | 0 | 0 | 113 | L59 Y60 G67 F91 V191 L194 L251 L254 | L59-F63 HydrophobicContact CB-CE2 4.43Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 WeakPolarHBondContact O-CD2 3.2Å; L59-F63 WeakPolarHBondContact O-CG 3.38Å; L59-F63 PolarHBondContact O-N 3.2Å; Y60-F63 PolarHBondContact O-N 2.84Å; F63-G67 WeakPolarHBondContact O-CA 3.37Å; F63-G67 PolarHBondContact O-N 2.95Å; F63-F91 HydrophobicContact CB-CE1 4.11Å; F63-F91 HydrophobicContact CB-CZ 4.16Å; F63-V191 HydrophobicContact CE2-CG2 4.27Å; F63-L194 HydrophobicContact CB-CD2 3.76Å; F63-L194 HydrophobicContact CD1-CD2 3.33Å; F63-L194 HydrophobicContact CE1-CD2 4.04Å; F63-L194 HydrophobicContact CG-CD2 3.74Å; F63-L251 HydrophobicContact CD1-CD2 3.66Å; F63-L251 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CG 4.19Å; F63-L254 HydrophobicContact CZ-CD2 3.87Å; F63-L254 HydrophobicContact CZ-CG 3.87Å |
| 64 | A | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -50.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y60 L61 F62 I66 G67 F68 F91 | Y60-A64 WeakPolarHBondContact O-CB 3.19Å; Y60-A64 PolarHBondContact O-N 2.69Å; L61-A64 PolarHBondContact O-N 3.23Å; F62-A64 VanDerWaalsContact C-N 3.31Å; F62-A64 PolarHBondContact O-N 3.12Å; A64-I66 PolarHBondContact O-N 3.16Å; A64-G67 PolarHBondContact O-N 3.14Å; A64-F68 HydrophobicContact CB-CD2 4.18Å; A64-F68 HydrophobicContact CB-CE2 4.29Å; A64-F68 WeakPolarHBondContact O-CB 3.27Å; A64-F68 WeakPolarHBondContact O-CD2 3.03Å; A64-F68 PolarHBondContact O-N 3.06Å; A64-F91 HydrophobicContact CB-CD1 3.92Å; A64-F91 HydrophobicContact CB-CE1 3.94Å |
| 65 | V | 96.3 | Very high | 96.3 | Very high | 63 Ų | 63 | 35.7 Ų | 35.7 | 38% | 0.382 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.6 | -47.3 | -178.4 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L61 F62 G69 F231 | L61-V65 HydrophobicContact CD1-CG2 3.92Å; L61-V65 HydrophobicContact CG-CG2 4.27Å; L61-V65 WeakPolarHBondContact O-CB 3.43Å; L61-V65 VanDerWaalsContact O-CG2 3.27Å; L61-V65 WeakPolarHBondContact O-CG2 3.41Å; L61-V65 PolarHBondContact O-N 2.99Å; F62-V65 PolarHBondContact O-N 3.21Å; V65-G69 VanDerWaalsContact O-CA 3.25Å; V65-G69 WeakPolarHBondContact O-CA 3.49Å; V65-G69 PolarHBondContact O-N 3.28Å; V65-F231 HydrophobicContact CG1-CE1 3.95Å; V65-F231 HydrophobicContact CG1-CZ 4.09Å |
| 66 | I | 96.2 | Very high | 96 | Very high | 20 Ų | 20 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.4 | -36.5 | 179.8 | -47.6 | -56.8 | 0 | 0 | 0 | 111.5 | F62 A64 V70 L71 L247 L251 | F62-I66 HydrophobicContact CD2-CG1 4.03Å; F62-I66 HydrophobicContact CE2-CD1 4.37Å; F62-I66 HydrophobicContact CE2-CG1 3.77Å; F62-I66 HydrophobicContact CZ-CG1 4.18Å; F62-I66 WeakPolarHBondContact O-CG1 3.38Å; F62-I66 PolarHBondContact O-N 3.16Å; A64-I66 PolarHBondContact O-N 3.16Å; I66-V70 HydrophobicContact CG2-CB 3.84Å; I66-V70 HydrophobicContact CG2-CG2 3.9Å; I66-V70 WeakPolarHBondContact O-CA 3.41Å; I66-V70 VanDerWaalsContact O-CB 3.31Å; I66-V70 WeakPolarHBondContact O-CB 3.32Å; I66-V70 PolarHBondContact O-N 3.04Å; I66-L71 PolarHBondContact O-N 3Å; I66-L247 HydrophobicContact CD1-CD1 4.31Å; I66-L247 HydrophobicContact CD1-CD2 4.29Å; I66-L247 HydrophobicContact CG1-CD1 4.3Å; I66-L247 HydrophobicContact CG2-CD1 4.1Å; I66-L247 HydrophobicContact CG2-CD2 3.74Å; I66-L247 HydrophobicContact CG2-CG 3.89Å; I66-L251 HydrophobicContact CB-CD1 4.03Å; I66-L251 HydrophobicContact CG2-CD1 3.38Å; I66-L251 HydrophobicContact CG2-CG 4.37Å |
| 67 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -60.7 | -55.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F63 A64 L71 V72 | F63-G67 WeakPolarHBondContact O-CA 3.37Å; F63-G67 PolarHBondContact O-N 2.95Å; A64-G67 PolarHBondContact O-N 3.14Å; G67-L71 PolarHBondContact O-N 3.29Å; G67-V72 WeakPolarHBondContact O-CG2 3.47Å; G67-V72 PolarHBondContact O-N 3.15Å |
| 68 | F | 96.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -81.2 | -27.1 | -177.4 | -64.7 | -62.9 | 0 | 0 | 0 | 114 | A64 P73 Y84 M87 F91 | A64-F68 HydrophobicContact CB-CD2 4.18Å; A64-F68 HydrophobicContact CB-CE2 4.29Å; A64-F68 WeakPolarHBondContact O-CB 3.27Å; A64-F68 WeakPolarHBondContact O-CD2 3.03Å; A64-F68 PolarHBondContact O-N 3.06Å; F68-P73 WeakPolarHBondContact O-CD 3.49Å; F68-Y84 HydrophobicContact CB-CE1 4.08Å; F68-Y84 AromaticContact CD1-CD1 3.77Å; F68-Y84 HydrophobicContact CD1-CD1 3.77Å; F68-Y84 AromaticContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CE1-CD1 4.48Å; F68-Y84 WeakPolarHBondContact O-CE1 3.42Å; F68-Y84 PolarHBondContact O-OH 3.01Å; F68-M87 HydrophobicContact CD1-CB 4.49Å; F68-M87 HydrophobicContact CE1-CB 3.52Å; F68-M87 HydrophobicContact CZ-CB 3.86Å; F68-F91 HydrophobicContact CE2-CB 4.06Å; F68-F91 HydrophobicContact CE2-CD1 4.08Å; F68-F91 HydrophobicContact CE2-CD2 4.38Å; F68-F91 AromaticContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CZ-CB 4.04Å; F68-F91 HydrophobicContact CZ-CD2 4.22Å; F68-F91 HydrophobicContact CZ-CG 4.07Å |
| 69 | G | 94.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 8% | 0.082 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -92.4 | -31.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V65 F231 | V65-G69 VanDerWaalsContact O-CA 3.25Å; V65-G69 WeakPolarHBondContact O-CA 3.49Å; V65-G69 PolarHBondContact O-N 3.28Å; G69-F231 WeakPolarHBondContact O-CA 3.36Å; G69-F231 PolarHBondContact O-N 3.37Å |
| 70 | V | 94.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -113.1 | -56.9 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 111 | I66 L74 V230 F231 L247 | I66-V70 HydrophobicContact CG2-CB 3.84Å; I66-V70 HydrophobicContact CG2-CG2 3.9Å; I66-V70 WeakPolarHBondContact O-CA 3.41Å; I66-V70 VanDerWaalsContact O-CB 3.31Å; I66-V70 WeakPolarHBondContact O-CB 3.32Å; I66-V70 PolarHBondContact O-N 3.04Å; V70-L74 HydrophobicContact CG1-CD1 4.04Å; V70-L74 WeakPolarHBondContact O-CD1 3.28Å; V70-L74 VanDerWaalsContact O-CG 3.27Å; V70-L74 WeakPolarHBondContact O-CG 3.25Å; V70-V230 HydrophobicContact CB-CG1 4.42Å; V70-V230 HydrophobicContact CG1-CG1 3.84Å; V70-V230 HydrophobicContact CG2-CB 4.17Å; V70-V230 HydrophobicContact CG2-CG1 4.21Å; V70-F231 HydrophobicContact CG2-CZ 4.43Å; V70-L247 HydrophobicContact CG1-CD2 4.31Å; V70-L247 HydrophobicContact CG2-CD2 4.18Å |
| 71 | L | 95.4 | Very high | 95 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -72.4 | -48.4 | -168.3 | -58.9 | -175.3 | 0 | 0 | 0 | 113.7 | I66 G67 L74 L75 L194 V197 A198 L251 | I66-L71 PolarHBondContact O-N 3Å; G67-L71 PolarHBondContact O-N 3.29Å; L71-L74 PolarHBondContact O-N 3.49Å; L71-L75 PolarHBondContact O-N 2.69Å; L71-L194 HydrophobicContact CD1-CD1 3.74Å; L71-L194 HydrophobicContact CD1-CG 4.34Å; L71-V197 HydrophobicContact CB-CG1 3.86Å; L71-V197 HydrophobicContact CD1-CG1 4.32Å; L71-A198 HydrophobicContact CD1-CB 3.8Å; L71-A198 HydrophobicContact CD2-CB 4.45Å; L71-L251 HydrophobicContact CD1-CD1 4.04Å; L71-L251 HydrophobicContact CD2-CD1 4.35Å; L71-L251 HydrophobicContact CG-CD1 4.32Å |
| 72 | V | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -64 | -41.5 | -178 | 173.7 | 0 | 0 | 0 | 0 | 112.4 | G67 L74 L75 V80 Y84 M87 | G67-V72 WeakPolarHBondContact O-CG2 3.47Å; G67-V72 PolarHBondContact O-N 3.15Å; V72-L74 PolarHBondContact O-N 3.42Å; V72-L75 WeakPolarHBondContact O-CB 3.23Å; V72-L75 PolarHBondContact O-N 2.67Å; V72-L75 VanDerWaalsContact O-N 3.14Å; V72-V80 HydrophobicContact CG1-CG1 4.32Å; V72-Y84 HydrophobicContact CB-CE1 4.23Å; V72-Y84 HydrophobicContact CB-CE2 4.49Å; V72-Y84 HydrophobicContact CG1-CD1 3.9Å; V72-Y84 HydrophobicContact CG1-CD2 3.53Å; V72-Y84 HydrophobicContact CG1-CE1 3.88Å; V72-Y84 HydrophobicContact CG1-CE2 3.55Å; V72-Y84 HydrophobicContact CG1-CG 3.69Å; V72-M87 HydrophobicContact CG2-CG 4.36Å |
| 73 | P | 94.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -59.9 | -25.6 | 172.2 | -30.7 | 38.1 | 0 | 0 | 0 | 116.2 | F68 L75 Y84 L232 | F68-P73 WeakPolarHBondContact O-CD 3.49Å; P73-L75 VanDerWaalsContact C-N 3.35Å; P73-Y84 VanDerWaalsContact CG-OH 3.32Å; P73-Y84 WeakPolarHBondContact CG-OH 3.25Å; P73-L232 HydrophobicContact CB-CB 4.25Å |
| 74 | L | 93.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -85.4 | -5.4 | 177.9 | -67.8 | 171.5 | 0 | 0 | 0 | 113 | V70 L71 V72 V201 L212 W228 I244 | V70-L74 HydrophobicContact CG1-CD1 4.04Å; V70-L74 WeakPolarHBondContact O-CD1 3.28Å; V70-L74 VanDerWaalsContact O-CG 3.27Å; V70-L74 WeakPolarHBondContact O-CG 3.25Å; L71-L74 PolarHBondContact O-N 3.49Å; V72-L74 PolarHBondContact O-N 3.42Å; L74-V201 HydrophobicContact CB-CG1 4.38Å; L74-V201 HydrophobicContact CB-CG2 4.29Å; L74-V201 HydrophobicContact CD1-CG1 3.98Å; L74-L212 WeakPolarHBondContact O-CA 3.19Å; L74-L212 WeakPolarHBondContact O-CD2 3.47Å; L74-W228 HydrophobicContact CD2-CE3 3.87Å; L74-W228 HydrophobicContact CD2-CZ3 4.04Å; L74-I244 HydrophobicContact CD1-CD1 4.48Å; L74-I244 HydrophobicContact CD1-CG2 3.92Å |
| 75 | L | 93.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67.6 | 154 | 171.4 | -68.2 | 177.4 | 0 | 0 | 0 | 111 | L71 V72 P73 H77 W79 V80 V197 Y200 | L71-L75 PolarHBondContact O-N 2.69Å; V72-L75 WeakPolarHBondContact O-CB 3.23Å; V72-L75 PolarHBondContact O-N 2.67Å; V72-L75 VanDerWaalsContact O-N 3.14Å; P73-L75 VanDerWaalsContact C-N 3.35Å; L75-H77 PolarHBondContact O-N 3.08Å; L75-W79 HydrophobicContact CB-CB 4.27Å; L75-W79 HydrophobicContact CD2-CE3 4.5Å; L75-V80 HydrophobicContact CB-CG2 4.21Å; L75-V80 WeakPolarHBondContact O-CG2 3.35Å; L75-V197 HydrophobicContact CD1-CG1 4.49Å; L75-V197 HydrophobicContact CD2-CG1 4.17Å; L75-V197 HydrophobicContact CG-CG1 4.48Å; L75-Y200 HydrophobicContact CD2-CD1 3.62Å; L75-Y200 HydrophobicContact CD2-CE1 3.76Å |
| 76 | P | 92.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | trans | -50.2 | 136.7 | 171.1 | -27.9 | 34.9 | 0 | 0 | 0 | 111.1 | H78 W79 V80 Y200 | P76-H78 PolarHBondContact O-N 3.36Å; P76-W79 WeakPolarHBondContact O-CA 3.45Å; P76-W79 WeakPolarHBondContact O-CB 3.48Å; P76-W79 PolarHBondContact O-N 2.96Å; P76-V80 PolarHBondContact O-N 3.44Å; P76-Y200 HydrophobicContact CG-CE1 4.44Å; P76-Y200 WeakPolarHBondContact CG-OH 3.34Å | ||
| 77 | H | 90.3 | Very high | 94.8 | Very high | 127 Ų | 127 | 44.8 Ų | 44.8 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -37.5 | -170.2 | -176.7 | 59.3 | 0 | 0 | 0 | 115 | L75 W79 V80 P81 T214 | L75-H77 PolarHBondContact O-N 3.08Å; H77-W79 VanDerWaalsContact C-N 3.34Å; H77-W79 PolarHBondContact O-N 3.46Å; H77-V80 PolarHBondContact O-N 3.29Å; H77-P81 WeakPolarHBondContact O-CD 3.48Å; H77-T214 PolarHBondContact N-OG1 3.06Å |
| 78 | H | 91.2 | Very high | 94.9 | Very high | 134 Ų | 134 | 45.9 Ų | 45.9 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.4 | 178.3 | 64.2 | -73.8 | 0 | 0 | 0 | 114.5 | P76 | P76-H78 PolarHBondContact O-N 3.36Š|
| 79 | W | 95 | Very high | 95 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -23.5 | 174.3 | -70.8 | 14 | 0 | 0 | 0 | 112.8 | L75 P76 H77 A82 G83 Y200 | L75-W79 HydrophobicContact CB-CB 4.27Å; L75-W79 HydrophobicContact CD2-CE3 4.5Å; P76-W79 WeakPolarHBondContact O-CA 3.45Å; P76-W79 WeakPolarHBondContact O-CB 3.48Å; P76-W79 PolarHBondContact O-N 2.96Å; H77-W79 VanDerWaalsContact C-N 3.34Å; H77-W79 PolarHBondContact O-N 3.46Å; W79-A82 PolarHBondContact O-N 3.04Å; W79-G83 PolarHBondContact O-N 2.75Å; W79-Y200 HydrophobicContact CZ3-CE2 4.39Å |
| 80 | V | 93.7 | Very high | 95.1 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.9 | -46.2 | -177.2 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | V72 L75 P76 H77 A82 G83 Y84 | V72-V80 HydrophobicContact CG1-CG1 4.32Å; L75-V80 HydrophobicContact CB-CG2 4.21Å; L75-V80 WeakPolarHBondContact O-CG2 3.35Å; P76-V80 PolarHBondContact O-N 3.44Å; H77-V80 PolarHBondContact O-N 3.29Å; V80-A82 PolarHBondContact O-N 3.01Å; V80-G83 PolarHBondContact O-N 3.34Å; V80-Y84 HydrophobicContact CG1-CD2 3.7Å; V80-Y84 HydrophobicContact CG1-CE2 3.56Å; V80-Y84 WeakPolarHBondContact O-CD2 3.48Å; V80-Y84 PolarHBondContact O-N 2.89Å |
| 81 | P | 95.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 178.2 | -21.2 | 34.1 | 0 | 0 | 0 | 113.1 | H77 A85 | H77-P81 WeakPolarHBondContact O-CD 3.48Å; P81-A85 WeakPolarHBondContact O-CB 3.27Å; P81-A85 PolarHBondContact O-N 3.34Å |
| 82 | A | 95.5 | Very high | 95.5 | Very high | 63 Ų | 63 | 50 Ų | 50 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W79 V80 A85 F86 | W79-A82 PolarHBondContact O-N 3.04Å; V80-A82 PolarHBondContact O-N 3.01Å; A82-A85 PolarHBondContact O-N 2.87Å; A82-F86 VanDerWaalsContact O-CB 3.28Å; A82-F86 WeakPolarHBondContact O-CB 3.42Å; A82-F86 PolarHBondContact O-N 2.93Å |
| 83 | G | 95.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.5 | -53 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W79 V80 M87 | W79-G83 PolarHBondContact O-N 2.75Å; V80-G83 PolarHBondContact O-N 3.34Å; G83-M87 WeakPolarHBondContact O-CB 3.28Å; G83-M87 WeakPolarHBondContact O-CG 3.4Å; G83-M87 PolarHBondContact O-N 3.28Å |
| 84 | Y | 97.1 | Very high | 95.8 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.6 | -83 | -60.5 | 0 | 0 | 0 | 113 | F68 V72 P73 V80 G88 | F68-Y84 HydrophobicContact CB-CE1 4.08Å; F68-Y84 AromaticContact CD1-CD1 3.77Å; F68-Y84 HydrophobicContact CD1-CD1 3.77Å; F68-Y84 AromaticContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CD1-CE1 3.97Å; F68-Y84 HydrophobicContact CE1-CD1 4.48Å; F68-Y84 WeakPolarHBondContact O-CE1 3.42Å; F68-Y84 PolarHBondContact O-OH 3.01Å; V72-Y84 HydrophobicContact CB-CE1 4.23Å; V72-Y84 HydrophobicContact CB-CE2 4.49Å; V72-Y84 HydrophobicContact CG1-CD1 3.9Å; V72-Y84 HydrophobicContact CG1-CD2 3.53Å; V72-Y84 HydrophobicContact CG1-CE1 3.88Å; V72-Y84 HydrophobicContact CG1-CE2 3.55Å; V72-Y84 HydrophobicContact CG1-CG 3.69Å; P73-Y84 VanDerWaalsContact CG-OH 3.32Å; P73-Y84 WeakPolarHBondContact CG-OH 3.25Å; V80-Y84 HydrophobicContact CG1-CD2 3.7Å; V80-Y84 HydrophobicContact CG1-CE2 3.56Å; V80-Y84 WeakPolarHBondContact O-CD2 3.48Å; V80-Y84 PolarHBondContact O-N 2.89Å; Y84-G88 VanDerWaalsContact O-CA 3.24Å; Y84-G88 WeakPolarHBondContact O-CA 3.48Å; Y84-G88 PolarHBondContact O-N 3.31Å |
| 85 | A | 97.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 55 Ų | 55 | 56% | 0.562 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65 | -48 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P81 A82 A89 | P81-A85 WeakPolarHBondContact O-CB 3.27Å; P81-A85 PolarHBondContact O-N 3.34Å; A82-A85 PolarHBondContact O-N 2.87Å; A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.23Å |
| 86 | F | 96.4 | Very high | 96.3 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.5 | -47 | -174.6 | -171.1 | -123.3 | 0 | 0 | 0 | 112.4 | A82 G88 A89 I90 L193 | A82-F86 VanDerWaalsContact O-CB 3.28Å; A82-F86 WeakPolarHBondContact O-CB 3.42Å; A82-F86 PolarHBondContact O-N 2.93Å; F86-G88 VanDerWaalsContact C-N 3.31Å; F86-G88 PolarHBondContact O-N 3.47Å; F86-A89 PolarHBondContact O-N 3.15Å; F86-I90 HydrophobicContact CD1-CD1 4.16Å; F86-I90 HydrophobicContact CD2-CD1 4.23Å; F86-I90 HydrophobicContact CE1-CD1 3.84Å; F86-I90 HydrophobicContact CE2-CD1 3.91Å; F86-I90 HydrophobicContact CG-CD1 4.34Å; F86-I90 HydrophobicContact CZ-CD1 3.7Å; F86-I90 WeakPolarHBondContact O-CG1 3.42Å; F86-I90 PolarHBondContact O-N 3.31Å; F86-I90 VanDerWaalsContact O-N 3.16Å; F86-L193 HydrophobicContact CD1-CD1 4.18Å; F86-L193 HydrophobicContact CD1-CD2 3.42Å; F86-L193 VanDerWaalsContact CD1-CD2 3.42Å; F86-L193 HydrophobicContact CD1-CG 4.45Å; F86-L193 HydrophobicContact CE1-CD1 3.93Å; F86-L193 HydrophobicContact CE1-CD2 3.5Å; F86-L193 VanDerWaalsContact CE1-CD2 3.5Å; F86-L193 HydrophobicContact CE1-CG 4.37Å; F86-L193 HydrophobicContact CG-CD2 4.41Å |
| 87 | M | 96.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.02 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 171.8 | -70.6 | -75.9 | -74 | 0 | 0 | 110.7 | F68 V72 G83 A89 I90 F91 L193 L194 | F68-M87 HydrophobicContact CD1-CB 4.49Å; F68-M87 HydrophobicContact CE1-CB 3.52Å; F68-M87 HydrophobicContact CZ-CB 3.86Å; V72-M87 HydrophobicContact CG2-CG 4.36Å; G83-M87 WeakPolarHBondContact O-CB 3.28Å; G83-M87 WeakPolarHBondContact O-CG 3.4Å; G83-M87 PolarHBondContact O-N 3.28Å; M87-A89 PolarHBondContact O-N 2.96Å; M87-I90 PolarHBondContact O-N 2.87Å; M87-F91 HydrophobicContact CE-CD2 4.39Å; M87-F91 HydrophobicContact CE-CE2 3.71Å; M87-F91 HydrophobicContact CE-CZ 4.41Å; M87-F91 WeakPolarHBondContact O-CB 3.41Å; M87-F91 WeakPolarHBondContact O-CD2 3.47Å; M87-F91 PolarHBondContact O-N 2.92Å; M87-L193 HydrophobicContact CG-CD2 4.05Å; M87-L193 HydrophobicContact SD-CB 4.08Å; M87-L193 HydrophobicContact SD-CD2 3.34Å; M87-L193 WeakPolarHBondContact SD-CD2 3.34Å; M87-L193 HydrophobicContact SD-CG 3.44Å; M87-L193 WeakPolarHBondContact SD-CG 3.42Å; M87-L194 HydrophobicContact CE-CB 4.16Å; M87-L194 HydrophobicContact CE-CD1 3.53Å; M87-L194 HydrophobicContact CE-CG 4.47Å |
| 88 | G | 97.6 | Very high | 97 | Very high | 23 Ų | 23 | 55 Ų | 55 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y84 F86 I90 F91 A92 | Y84-G88 VanDerWaalsContact O-CA 3.24Å; Y84-G88 WeakPolarHBondContact O-CA 3.48Å; Y84-G88 PolarHBondContact O-N 3.31Å; F86-G88 VanDerWaalsContact C-N 3.31Å; F86-G88 PolarHBondContact O-N 3.47Å; G88-I90 PolarHBondContact O-N 3.24Å; G88-F91 PolarHBondContact O-N 2.62Å; G88-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 PolarHBondContact O-N 2.84Å |
| 89 | A | 98.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A85 F86 M87 G93 | A85-A89 VanDerWaalsContact O-CB 3.29Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.23Å; F86-A89 PolarHBondContact O-N 3.15Å; M87-A89 PolarHBondContact O-N 2.96Å; A89-G93 PolarHBondContact O-N 3.25Å |
| 90 | I | 98.3 | Very high | 97.5 | Very high | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -46.1 | 179.6 | -69 | 162.6 | 0 | 0 | 0 | 111.4 | F86 M87 G88 G93 H94 L189 L193 | F86-I90 HydrophobicContact CD1-CD1 4.16Å; F86-I90 HydrophobicContact CD2-CD1 4.23Å; F86-I90 HydrophobicContact CE1-CD1 3.84Å; F86-I90 HydrophobicContact CE2-CD1 3.91Å; F86-I90 HydrophobicContact CG-CD1 4.34Å; F86-I90 HydrophobicContact CZ-CD1 3.7Å; F86-I90 WeakPolarHBondContact O-CG1 3.42Å; F86-I90 PolarHBondContact O-N 3.31Å; F86-I90 VanDerWaalsContact O-N 3.16Å; M87-I90 PolarHBondContact O-N 2.87Å; G88-I90 PolarHBondContact O-N 3.24Å; I90-G93 PolarHBondContact O-N 3.35Å; I90-H94 WeakPolarHBondContact O-CB 3.5Å; I90-H94 PolarHBondContact O-N 3.37Å; I90-L189 HydrophobicContact CD1-CD2 4.1Å; I90-L189 HydrophobicContact CD1-CG 4.12Å; I90-L189 HydrophobicContact CG1-CD2 4.14Å; I90-L189 HydrophobicContact CG2-CD2 4.39Å; I90-L189 HydrophobicContact CG2-CG 4.24Å; I90-L193 HydrophobicContact CD1-CD2 3.53Å |
| 91 | F | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.8 | -89.2 | -110.6 | 0 | 0 | 0 | 111.8 | Y60 F63 A64 F68 M87 G88 H94 L95 | Y60-F91 HydrophobicContact CD2-CD1 4.22Å; Y60-F91 HydrophobicContact CD2-CE1 4.43Å; Y60-F91 HydrophobicContact CE2-CB 4.41Å; Y60-F91 AromaticContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CD1 3.51Å; Y60-F91 HydrophobicContact CE2-CE1 4.16Å; Y60-F91 HydrophobicContact CE2-CG 4.29Å; Y60-F91 AromaticContact CZ-CD1 3.91Å; Y60-F91 PolarHBondContact OH-O 3.12Å; F63-F91 HydrophobicContact CB-CE1 4.11Å; F63-F91 HydrophobicContact CB-CZ 4.16Å; A64-F91 HydrophobicContact CB-CD1 3.92Å; A64-F91 HydrophobicContact CB-CE1 3.94Å; F68-F91 HydrophobicContact CE2-CB 4.06Å; F68-F91 HydrophobicContact CE2-CD1 4.08Å; F68-F91 HydrophobicContact CE2-CD2 4.38Å; F68-F91 AromaticContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CE2-CG 3.92Å; F68-F91 HydrophobicContact CZ-CB 4.04Å; F68-F91 HydrophobicContact CZ-CD2 4.22Å; F68-F91 HydrophobicContact CZ-CG 4.07Å; M87-F91 HydrophobicContact CE-CD2 4.39Å; M87-F91 HydrophobicContact CE-CE2 3.71Å; M87-F91 HydrophobicContact CE-CZ 4.41Å; M87-F91 WeakPolarHBondContact O-CB 3.41Å; M87-F91 WeakPolarHBondContact O-CD2 3.47Å; M87-F91 PolarHBondContact O-N 2.92Å; G88-F91 PolarHBondContact O-N 2.62Å; F91-H94 PolarHBondContact O-N 3.35Å; F91-L95 WeakPolarHBondContact O-CB 3.16Å; F91-L95 PolarHBondContact O-N 2.81Å |
| 92 | A | 98.5 | Very high | 97.8 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 44% | 0.438 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | G88 L95 V96 | G88-A92 WeakPolarHBondContact O-CB 3.47Å; G88-A92 PolarHBondContact O-N 2.84Å; A92-L95 PolarHBondContact O-N 3.3Å; A92-V96 WeakPolarHBondContact O-CG2 3.36Å; A92-V96 PolarHBondContact O-N 2.79Å |
| 93 | G | 98.6 | Very high | 98 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 35% | 0.351 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A89 I90 V96 V97 | A89-G93 PolarHBondContact O-N 3.25Å; I90-G93 PolarHBondContact O-N 3.35Å; G93-V96 PolarHBondContact O-N 2.88Å; G93-V97 WeakPolarHBondContact O-CB 3.32Å; G93-V97 VanDerWaalsContact O-CG2 3.32Å; G93-V97 WeakPolarHBondContact O-CG2 3.37Å; G93-V97 PolarHBondContact O-N 2.82Å |
| 94 | H | 98.7 | Very high | 98.1 | Very high | 26 Ų | 26 | 43 Ų | 43 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 173.4 | 176.6 | 63.6 | 0 | 0 | 0 | 111.5 | Y60 I90 F91 V96 V97 H98 S183 S186 A187 | Y60-H94 AromaticContact CD2-CD2 3.69Å; Y60-H94 AromaticContact CE2-CD2 3.75Å; I90-H94 WeakPolarHBondContact O-CB 3.5Å; I90-H94 PolarHBondContact O-N 3.37Å; F91-H94 PolarHBondContact O-N 3.35Å; H94-V96 PolarHBondContact O-N 3.35Å; H94-V97 PolarHBondContact O-N 2.77Å; H94-H98 VanDerWaalsContact O-CB 3.24Å; H94-H98 WeakPolarHBondContact O-CB 3.4Å; H94-H98 PolarHBondContact O-N 2.73Å; H94-S183 PolarHBondContact CE1-O 3.44Å; H94-S183 VanDerWaalsContact CE1-O 3.23Å; H94-S183 PolarHBondContact ND1-O 3.11Å; H94-S186 PolarHBondContact ND1-OG 3.29Å; H94-A187 PolarHBondContact ND1-N 3.48Å |
| 95 | L | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 39.9 Ų | 39.9 | 29% | 0.293 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57 | -52.4 | 178.4 | -178.5 | 63.7 | 0 | 0 | 0 | 111 | Y60 F91 A92 V97 H98 L99 | Y60-L95 HydrophobicContact CE1-CD1 4.19Å; F91-L95 WeakPolarHBondContact O-CB 3.16Å; F91-L95 PolarHBondContact O-N 2.81Å; A92-L95 PolarHBondContact O-N 3.3Å; L95-V97 VanDerWaalsContact C-N 3.35Å; L95-V97 PolarHBondContact O-N 3.09Å; L95-H98 PolarHBondContact O-N 3.15Å; L95-L99 HydrophobicContact CD1-CD1 3.97Å; L95-L99 HydrophobicContact CD1-CD2 4.23Å; L95-L99 HydrophobicContact CD1-CG 3.92Å; L95-L99 HydrophobicContact CG-CD1 3.87Å; L95-L99 HydrophobicContact CG-CG 4.21Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 3.1Å |
| 96 | V | 98.7 | Very high | 98 | Very high | 93 Ų | 93 | 36.7 Ų | 36.7 | 56% | 0.564 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -56.1 | -47.8 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | A92 G93 H94 T100 | A92-V96 WeakPolarHBondContact O-CG2 3.36Å; A92-V96 PolarHBondContact O-N 2.79Å; G93-V96 PolarHBondContact O-N 2.88Å; H94-V96 PolarHBondContact O-N 3.35Å; V96-T100 WeakPolarHBondContact O-CB 3.35Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.12Å |
| 97 | V | 98.5 | Very high | 98 | Very high | 33 Ų | 33 | 31 Ų | 31 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | G93 H94 L95 T100 A101 L179 H182 | G93-V97 WeakPolarHBondContact O-CB 3.32Å; G93-V97 VanDerWaalsContact O-CG2 3.32Å; G93-V97 WeakPolarHBondContact O-CG2 3.37Å; G93-V97 PolarHBondContact O-N 2.82Å; H94-V97 PolarHBondContact O-N 2.77Å; L95-V97 VanDerWaalsContact C-N 3.35Å; L95-V97 PolarHBondContact O-N 3.09Å; V97-T100 PolarHBondContact O-N 2.99Å; V97-A101 WeakPolarHBondContact O-CB 3.48Å; V97-A101 PolarHBondContact O-N 3.13Å; V97-L179 HydrophobicContact CG1-CD2 4.35Å; V97-L179 WeakPolarHBondContact CG1-O 3.49Å; V97-H182 HydrophobicContact CG1-CB 3.61Å |
| 98 | H | 98.4 | Very high | 97.9 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -50.5 | 178 | -176.4 | 76.9 | 0 | 0 | 0 | 111.4 | W57 H94 L95 T100 A101 V102 S183 | W57-H98 AromaticContact CD1-NE2 3.93Å; W57-H98 AromaticContact NE1-CD2 3.71Å; W57-H98 AromaticContact NE1-NE2 3.16Å; W57-H98 PolarHBondContact NE1-NE2 3.01Å; W57-H98 VanDerWaalsContact NE1-NE2 3.16Å; H94-H98 VanDerWaalsContact O-CB 3.24Å; H94-H98 WeakPolarHBondContact O-CB 3.4Å; H94-H98 PolarHBondContact O-N 2.73Å; L95-H98 PolarHBondContact O-N 3.15Å; H98-T100 PolarHBondContact O-N 3.08Å; H98-A101 PolarHBondContact O-N 2.8Å; H98-A101 VanDerWaalsContact O-N 3.1Å; H98-V102 WeakPolarHBondContact O-CG2 3.38Å; H98-V102 PolarHBondContact O-N 2.92Å; H98-S183 PolarHBondContact ND1-OG 3.09Å |
| 99 | L | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 32.4 Ų | 32.4 | 29% | 0.288 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 174.5 | -67.5 | 178.9 | 0 | 0 | 0 | 111.5 | W45 W57 L95 S103 | W45-L99 HydrophobicContact CH2-CD2 4.13Å; W45-L99 HydrophobicContact CZ2-CD2 4.03Å; W57-L99 HydrophobicContact CH2-CD2 3.26Å; W57-L99 HydrophobicContact CZ2-CD2 3.52Å; W57-L99 HydrophobicContact CZ3-CD2 4.38Å; L95-L99 HydrophobicContact CD1-CD1 3.97Å; L95-L99 HydrophobicContact CD1-CD2 4.23Å; L95-L99 HydrophobicContact CD1-CG 3.92Å; L95-L99 HydrophobicContact CG-CD1 3.87Å; L95-L99 HydrophobicContact CG-CG 4.21Å; L95-L99 WeakPolarHBondContact O-CB 3.42Å; L95-L99 WeakPolarHBondContact O-CG 3.16Å; L95-L99 PolarHBondContact O-N 3.1Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 2.89Å; L99-S103 PolarHBondContact O-OG 3.26Å |
| 100 | T | 98.4 | Very high | 97.5 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 177.3 | -52 | 0 | 0 | 0 | 0 | 111.2 | V96 V97 H98 V102 S103 I104 L179 | V96-T100 WeakPolarHBondContact O-CB 3.35Å; V96-T100 PolarHBondContact O-N 2.97Å; V96-T100 PolarHBondContact O-OG1 3.12Å; V97-T100 PolarHBondContact O-N 2.99Å; H98-T100 PolarHBondContact O-N 3.08Å; T100-V102 PolarHBondContact O-N 3.28Å; T100-S103 PolarHBondContact O-N 3.34Å; T100-I104 HydrophobicContact CG2-CD1 4.23Å; T100-I104 HydrophobicContact CG2-CG1 4.44Å; T100-I104 WeakPolarHBondContact O-CG1 3.16Å; T100-I104 PolarHBondContact O-N 2.94Å; T100-L179 HydrophobicContact CG2-CD1 3.73Å; T100-L179 HydrophobicContact CG2-CD2 4.05Å |
| 101 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V97 H98 L168 L179 | V97-A101 WeakPolarHBondContact O-CB 3.48Å; V97-A101 PolarHBondContact O-N 3.13Å; H98-A101 PolarHBondContact O-N 2.8Å; H98-A101 VanDerWaalsContact O-N 3.1Å; A101-L168 HydrophobicContact CB-CD1 4.27Å; A101-L168 HydrophobicContact CB-CD2 4.18Å; A101-L179 HydrophobicContact CB-CB 4.02Å |
| 102 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | 173.3 | 174.1 | 0 | 0 | 0 | 0 | 111 | G44 W45 H98 T100 L168 N170 | G44-V102 PolarHBondContact N-O 3.01Å; W45-V102 HydrophobicContact CD2-CG1 3.91Å; W45-V102 HydrophobicContact CE3-CG1 4.41Å; W45-V102 HydrophobicContact CG-CG1 4.38Å; W45-V102 HydrophobicContact CH2-CG1 4.31Å; W45-V102 HydrophobicContact CZ2-CB 4.41Å; W45-V102 HydrophobicContact CZ2-CG1 3.77Å; H98-V102 WeakPolarHBondContact O-CG2 3.38Å; H98-V102 PolarHBondContact O-N 2.92Å; T100-V102 PolarHBondContact O-N 3.28Å; V102-L168 HydrophobicContact CG2-CB 4.41Å; V102-L168 HydrophobicContact CG2-CD2 3.71Å; V102-N170 PolarHBondContact O-ND2 3.4Å |
| 103 | S | 98.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -79 | -30.7 | -172 | -58.6 | 0 | 0 | 0 | 0 | 114.8 | N43 W45 L99 T100 D105 | N43-S103 WeakPolarHBondContact CB-O 3.44Å; N43-S103 PolarHBondContact ND2-O 3.27Å; W45-S103 PolarHBondContact NE1-OG 3.35Å; L99-S103 WeakPolarHBondContact O-CB 3.34Å; L99-S103 PolarHBondContact O-N 2.89Å; L99-S103 PolarHBondContact O-OG 3.26Å; T100-S103 PolarHBondContact O-N 3.34Å; S103-D105 PolarHBondContact O-N 3.32Å |
| 104 | I | 97.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -64.3 | 134.4 | 179.1 | -75.3 | -176.8 | 0 | 0 | 0 | 110.5 | T100 P106 N170 R175 N176 L179 | T100-I104 HydrophobicContact CG2-CD1 4.23Å; T100-I104 HydrophobicContact CG2-CG1 4.44Å; T100-I104 WeakPolarHBondContact O-CG1 3.16Å; T100-I104 PolarHBondContact O-N 2.94Å; I104-P106 VanDerWaalsContact O-CD 3.23Å; I104-P106 WeakPolarHBondContact O-CD 3.45Å; I104-N170 PolarHBondContact O-ND2 3.03Å; I104-R175 HydrophobicContact CG2-CG 3.96Å; I104-N176 HydrophobicContact CB-CB 4.23Å; I104-N176 HydrophobicContact CG2-CB 3.91Å; I104-L179 HydrophobicContact CD1-CD1 3.31Å; I104-L179 HydrophobicContact CG1-CD1 4.47Å |
| 105 | D | 96.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | trans | -79.8 | 111.9 | 165.1 | -173 | -9.9 | 0 | 0 | 0 | 109.8 | R42 S103 A107 Y116 K156 R175 | R42-D105 HydrophobicContact CG-CB 4.39Å; R42-D105 WeakPolarHBondContact CG-OD2 3.5Å; R42-D105 IonicContact NE-OD2 2.66Å; R42-D105 WeakPolarHBondContact O-CA 3.4Å; R42-D105 WeakPolarHBondContact O-CB 3.32Å; R42-D105 VanDerWaalsContact O-OD1 3.09Å; S103-D105 PolarHBondContact O-N 3.32Å; D105-A107 VanDerWaalsContact C-N 3.29Å; D105-A107 PolarHBondContact O-N 3.36Å; D105-A107 WeakPolarHBondContact OD1-CB 3.33Å; D105-A107 PolarHBondContact OD1-N 3.46Å; D105-Y116 PolarHBondContact OD1-OH 2.92Å; D105-Y116 WeakPolarHBondContact OD2-CE2 3.33Å; D105-Y116 PolarHBondContact OD2-OH 2.91Å; D105-K156 IonicContact OD1-NZ 3.91Å; D105-K156 PolarHBondContact OD1-NZ 3.3Å; D105-R175 WeakPolarHBondContact O-CD 3.26Å; D105-R175 PolarHBondContact O-NE 2.95Å | ||
| 106 | P | 96.8 | Very high | 93 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | trans | -83.2 | 1.8 | -179.4 | 36.6 | -40.8 | 0 | 0 | 0 | 113.7 | I104 V158 N170 C171 | I104-P106 VanDerWaalsContact O-CD 3.23Å; I104-P106 WeakPolarHBondContact O-CD 3.45Å; P106-V158 HydrophobicContact CB-CG1 4.27Å; P106-V158 HydrophobicContact CG-CG2 4.35Å; P106-V158 WeakPolarHBondContact O-CG1 3.29Å; P106-N170 WeakPolarHBondContact CD-OD1 3.36Å; P106-N170 WeakPolarHBondContact CG-OD1 3.43Å; P106-C171 HydrophobicContact CB-CB 4.42Å; P106-C171 HydrophobicContact CG-CB 3.7Å; P106-C171 WeakPolarHBondContact CG-O 3.49Å | ||
| 107 | A | 96 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -60.5 | 156.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | D105 V111 R112 Y116 K156 C157 | D105-A107 VanDerWaalsContact C-N 3.29Å; D105-A107 PolarHBondContact O-N 3.36Å; D105-A107 WeakPolarHBondContact OD1-CB 3.33Å; D105-A107 PolarHBondContact OD1-N 3.46Å; A107-V111 HydrophobicContact CB-CB 4.25Å; A107-V111 HydrophobicContact CB-CG1 3.96Å; A107-R112 HydrophobicContact CB-CG 3.71Å; A107-R112 VanDerWaalsContact O-CD 3.31Å; A107-R112 WeakPolarHBondContact O-CD 3.28Å; A107-Y116 VanDerWaalsContact CB-OH 3.31Å; A107-Y116 WeakPolarHBondContact CB-OH 3.24Å; A107-K156 HydrophobicContact CB-CD 3.9Å; A107-K156 HydrophobicContact CB-CG 4.36Å; A107-C157 VanDerWaalsContact CA-O 3.31Å; A107-C157 WeakPolarHBondContact CA-O 3.24Å |
| 108 | D | 95.5 | Very high | 89.5 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | trans | -51.7 | 150 | 169.3 | -163.9 | -57.4 | 0 | 0 | 0 | 110.8 | N110 V111 R112 V144 S145 S148 C157 | D108-N110 PolarHBondContact O-N 3.41Å; D108-N110 PolarHBondContact OD1-N 2.87Å; D108-V111 HydrophobicContact CB-CB 4.24Å; D108-V111 HydrophobicContact CB-CG2 3.93Å; D108-V111 PolarHBondContact O-N 3.06Å; D108-R112 WeakPolarHBondContact O-CG 3.48Å; D108-R112 PolarHBondContact O-N 3.36Å; D108-V144 WeakPolarHBondContact OD2-CB 3.37Å; D108-S145 PolarHBondContact OD2-N 2.63Å; D108-S148 WeakPolarHBondContact OD2-CB 3.48Å; D108-S148 PolarHBondContact OD2-OG 3.01Å; D108-C157 HydrophobicContact CB-CB 4.48Å; D108-C157 PolarHBondContact N-O 3.23Å | ||
| 109 | A | 94.7 | Very high | 88 | Confident | 49 Ų | 49 | 48.1 Ų | 48.1 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.4 | -50 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V111 R112 D113 | A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 PolarHBondContact O-N 2.91Å; A109-R112 WeakPolarHBondContact O-CA 3.28Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.95Å; A109-D113 VanDerWaalsContact O-CG 3.26Å; A109-D113 PolarHBondContact O-N 3.25Å |
| 110 | N | 92.8 | Very high | 86.6 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.2 | -31.2 | -178 | -63 | -7.8 | 0 | 0 | 0 | 112.4 | D108 K114 V142 D143 | D108-N110 PolarHBondContact O-N 3.41Å; D108-N110 PolarHBondContact OD1-N 2.87Å; N110-K114 PolarHBondContact O-N 3.49Å; N110-V142 HydrophobicContact CB-CB 4.38Å; N110-D143 WeakPolarHBondContact CB-O 3.29Å; N110-D143 PolarHBondContact ND2-O 3.43Å |
| 111 | V | 91.8 | Very high | 85.3 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.9 | -33.8 | 173.4 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | A107 D108 A109 Y116 C140 V142 V144 K156 C157 | A107-V111 HydrophobicContact CB-CB 4.25Å; A107-V111 HydrophobicContact CB-CG1 3.96Å; D108-V111 HydrophobicContact CB-CB 4.24Å; D108-V111 HydrophobicContact CB-CG2 3.93Å; D108-V111 PolarHBondContact O-N 3.06Å; A109-V111 VanDerWaalsContact C-N 3.25Å; A109-V111 PolarHBondContact O-N 2.91Å; V111-Y116 HydrophobicContact CG1-CE1 4.1Å; V111-C140 HydrophobicContact CG2-CB 4.27Å; V111-V142 HydrophobicContact CG2-CG2 3.62Å; V111-V144 HydrophobicContact CG2-CG1 4.39Å; V111-K156 HydrophobicContact CG1-CB 4.18Å; V111-C157 HydrophobicContact CG2-CB 3.91Å |
| 112 | R | 91.8 | Very high | 84.1 | Confident | 88 Ų | 88 | 54.2 Ų | 54.2 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -78.3 | -26.8 | 179.5 | -72.7 | 174.4 | 47.4 | -118.8 | -24 | 113.2 | A107 D108 A109 | A107-R112 HydrophobicContact CB-CG 3.71Å; A107-R112 VanDerWaalsContact O-CD 3.31Å; A107-R112 WeakPolarHBondContact O-CD 3.28Å; D108-R112 WeakPolarHBondContact O-CG 3.48Å; D108-R112 PolarHBondContact O-N 3.36Å; A109-R112 WeakPolarHBondContact O-CA 3.28Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 2.95Å |
| 113 | D | 88.3 | Confident | 83.1 | Confident | 126 Ų | 126 | 56.1 Ų | 56.1 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -81.7 | -24.3 | 177.9 | -61.5 | -21.4 | 0 | 0 | 0 | 111.1 | A109 | A109-D113 VanDerWaalsContact O-CG 3.26Å; A109-D113 PolarHBondContact O-N 3.25Å |
| 114 | K | 83.5 | Confident | 82.1 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -73.6 | 145.3 | 164.8 | -166.2 | 166.2 | -173.9 | 175.2 | 0 | 111.1 | N110 Y116 C140 D141 V142 | N110-K114 PolarHBondContact O-N 3.49Å; K114-Y116 PolarHBondContact O-N 2.85Å; K114-C140 PolarHBondContact NZ-O 2.85Å; K114-D141 VanDerWaalsContact NZ-CB 3.3Å; K114-D141 VanDerWaalsContact NZ-CG 3.3Å; K114-D141 PolarHBondContact NZ-O 3.46Å; K114-D141 IonicContact NZ-OD2 3.49Å; K114-D141 PolarHBondContact NZ-OD2 2.89Å; K114-V142 HydrophobicContact CB-CG1 4.23Å; K114-V142 HydrophobicContact CD-CG1 3.48Å; K114-V142 VanDerWaalsContact CD-CG1 3.48Å; K114-V142 HydrophobicContact CG-CG1 4.48Å |
| 115 | S | 70.1 | Confident | 81.4 | Confident | 92 Ų | 92 | 64.3 Ų | 64.3 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | trans | -69.2 | 130.9 | 173.5 | -174.2 | 0 | 0 | 0 | 0 | 111 | A117 | S115-A117 PolarHBondContact O-N 3.1Å; S115-A117 VanDerWaalsContact OG-CB 3.27Å; S115-A117 WeakPolarHBondContact OG-CB 3.48Å; S115-A117 PolarHBondContact OG-N 3.28Å | ||
| 116 | Y | 71.4 | Confident | 80.4 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 24% | 0.235 | 39% | 0.387 | C | S | . | . | trans | -68.9 | 12.4 | 169.3 | -70.3 | -64.8 | 0 | 0 | 0 | 113.8 | S40 R42 D105 A107 V111 K114 G118 | S40-Y116 WeakPolarHBondContact OG-CE1 3.38Å; R42-Y116 HydrophobicContact CB-CE2 4.35Å; R42-Y116 HydrophobicContact CG-CD2 4.21Å; R42-Y116 HydrophobicContact CG-CE2 3.78Å; D105-Y116 PolarHBondContact OD1-OH 2.92Å; D105-Y116 WeakPolarHBondContact OD2-CE2 3.33Å; D105-Y116 PolarHBondContact OD2-OH 2.91Å; A107-Y116 VanDerWaalsContact CB-OH 3.31Å; A107-Y116 WeakPolarHBondContact CB-OH 3.24Å; V111-Y116 HydrophobicContact CG1-CE1 4.1Å; K114-Y116 PolarHBondContact O-N 2.85Å; Y116-G118 PolarHBondContact O-N 2.81Å | ||
| 117 | A | 59.9 | Low | 79.3 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 71% | 0.711 | 42% | 0.418 | S | S | * | . | trans | -82.2 | 104.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S115 | S115-A117 PolarHBondContact O-N 3.1Å; S115-A117 VanDerWaalsContact OG-CB 3.27Å; S115-A117 WeakPolarHBondContact OG-CB 3.48Å; S115-A117 PolarHBondContact OG-N 3.28Å | ||
| 118 | G | 63.4 | Low | 78.6 | Confident | 36 Ų | 36 | 78 Ų | 78 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 140.8 | 160.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y116 | Y116-G118 PolarHBondContact O-N 2.81Š|
| 119 | P | 67.2 | Low | 77.6 | Confident | 90 Ų | 90 | 81.6 Ų | 81.6 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -65 | 141.9 | 158.5 | 30.3 | -32.2 | 0 | 0 | 0 | 109 | G37 | G37-P119 WeakPolarHBondContact O-CA 3.45Å; G37-P119 WeakPolarHBondContact O-CB 3.24Å |
| 120 | L | 69.1 | Low | 77 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 20% | 0.199 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 149.3 | 168.2 | -70 | -164.2 | 0 | 0 | 0 | 110.5 | N155 | L120-N155 HydrophobicContact CD1-CB 3.76Å; L120-N155 WeakPolarHBondContact CD1-O 3.42Å; L120-N155 HydrophobicContact CG-CB 4.47Å |
| 121 | P | 70 | Confident | 76.7 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 47% | 0.468 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -59 | 150.9 | 169.5 | 26.9 | -35.3 | 0 | 0 | 0 | 111 | L139 | P121-L139 WeakPolarHBondContact CD-O 3.33Å; P121-L139 WeakPolarHBondContact O-CD2 3.28Å |
| 122 | I | 73.3 | Confident | 76.6 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 65% | 0.646 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 126.3 | 175 | -60.1 | 175.2 | 0 | 0 | 0 | 108.4 | L35 N124 | L35-I122 HydrophobicContact CD1-CD1 4.07Å; L35-I122 HydrophobicContact CD2-CD1 4.04Å; L35-I122 HydrophobicContact CG-CD1 4.07Å; I122-N124 PolarHBondContact O-N 2.9Å; I122-N124 VanDerWaalsContact O-N 3.14Å |
| 123 | F | 77.5 | Confident | 76.3 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | trans | -66.3 | 114 | 179.2 | -176 | -112.6 | 0 | 0 | 0 | 111.6 | R125 H128 H130 V131 N138 L139 | F123-R125 HydrophobicContact CD1-CG 3.96Å; F123-R125 HydrophobicContact CE1-CG 3.73Å; F123-H128 HydrophobicContact CE2-CB 3.63Å; F123-H128 HydrophobicContact CZ-CB 3.73Å; F123-H128 WeakPolarHBondContact CZ-O 3.43Å; F123-H130 WeakPolarHBondContact CE2-O 3.38Å; F123-H130 WeakPolarHBondContact CZ-O 3.49Å; F123-V131 HydrophobicContact CD1-CG2 4Å; F123-V131 HydrophobicContact CD2-CG2 4.07Å; F123-V131 HydrophobicContact CE1-CG2 3.93Å; F123-V131 HydrophobicContact CE2-CB 4.4Å; F123-V131 HydrophobicContact CE2-CG2 4.02Å; F123-V131 HydrophobicContact CG-CG2 4.07Å; F123-V131 HydrophobicContact CZ-CG2 3.96Å; F123-N138 HydrophobicContact CD2-CB 4.49Å; F123-N138 HydrophobicContact CE2-CB 4.21Å; F123-L139 HydrophobicContact CB-CD1 4.17Å; F123-L139 HydrophobicContact CB-CD2 3.68Å; F123-L139 HydrophobicContact CB-CG 3.9Å; F123-L139 HydrophobicContact CD2-CG 4.19Å; F123-L139 HydrophobicContact CG-CG 4.38Å | ||
| 124 | N | 77.5 | Confident | 76.4 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 33% | 0.326 | 45% | 0.446 | S | S | . | . | trans | -94.4 | 105.5 | 179.7 | -170.8 | 4.1 | 0 | 0 | 0 | 112.4 | I122 S126 Q127 H128 | I122-N124 PolarHBondContact O-N 2.9Å; I122-N124 VanDerWaalsContact O-N 3.14Å; N124-S126 PolarHBondContact ND2-OG 3.2Å; N124-S126 PolarHBondContact O-N 2.86Å; N124-S126 PolarHBondContact OD1-N 3.2Å; N124-S126 VanDerWaalsContact OD1-N 3.13Å; N124-S126 PolarHBondContact OD1-OG 3.22Å; N124-Q127 HydrophobicContact CB-CB 4.42Å; N124-Q127 PolarHBondContact ND2-OE1 2.9Å; N124-Q127 PolarHBondContact O-N 3.35Å; N124-Q127 VanDerWaalsContact O-N 3.16Å; N124-H128 PolarHBondContact O-N 2.83Å; N124-H128 VanDerWaalsContact O-N 3.12Å | ||
| 125 | R | 81.8 | Confident | 76.8 | Confident | 198 Ų | 198 | 80.2 Ų | 80.2 | 75% | 0.747 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.1 | 178.2 | -72.9 | -176.2 | 176.4 | 92.6 | -2.9 | 114.9 | F123 | F123-R125 HydrophobicContact CD1-CG 3.96Å; F123-R125 HydrophobicContact CE1-CG 3.73Å |
| 126 | S | 76.9 | Confident | 77.8 | Confident | 106 Ų | 106 | 78.3 Ų | 78.3 | 74% | 0.741 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.6 | 174.7 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | N124 | N124-S126 PolarHBondContact ND2-OG 3.2Å; N124-S126 PolarHBondContact O-N 2.86Å; N124-S126 PolarHBondContact OD1-N 3.2Å; N124-S126 VanDerWaalsContact OD1-N 3.13Å; N124-S126 PolarHBondContact OD1-OG 3.22Å |
| 127 | Q | 74.1 | Confident | 78.8 | Confident | 141 Ų | 141 | 75.5 Ų | 75.5 | 66% | 0.659 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -37.8 | 177.5 | -72.7 | 169.7 | -33.4 | 0 | 0 | 111.8 | N124 | N124-Q127 HydrophobicContact CB-CB 4.42Å; N124-Q127 PolarHBondContact ND2-OE1 2.9Å; N124-Q127 PolarHBondContact O-N 3.35Å; N124-Q127 VanDerWaalsContact O-N 3.16Å |
| 128 | H | 79.8 | Confident | 80.3 | Confident | 59 Ų | 59 | 73 Ų | 73 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | trans | -126.9 | 130.2 | -176.5 | -61.8 | -75.2 | 0 | 0 | 0 | 111.1 | F123 N124 H130 E133 N138 | F123-H128 HydrophobicContact CE2-CB 3.63Å; F123-H128 HydrophobicContact CZ-CB 3.73Å; F123-H128 WeakPolarHBondContact CZ-O 3.43Å; N124-H128 PolarHBondContact O-N 2.83Å; N124-H128 VanDerWaalsContact O-N 3.12Å; H128-H130 VanDerWaalsContact C-N 3.29Å; H128-E133 IonicContact CE1-OE2 3.48Å; H128-E133 IonicContact CG-OE2 3.43Å; H128-E133 IonicContact ND1-OE2 3.8Å; H128-E133 PolarHBondContact ND1-OE2 3.14Å; H128-N138 PolarHBondContact CE1-OD1 3.48Å; H128-N138 VanDerWaalsContact CG-ND2 3.33Å; H128-N138 PolarHBondContact ND1-ND2 3.26Å; H128-N138 VanDerWaalsContact ND1-ND2 3.1Å | ||
| 129 | A | 75.5 | Confident | 81.5 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 69% | 0.686 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -72.4 | -27.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E133 | A129-E133 WeakPolarHBondContact CA-OE1 3.46Å; A129-E133 PolarHBondContact N-OE1 2.93Å |
| 130 | H | 81.9 | Confident | 82.5 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 21% | 0.213 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -136.4 | 150.8 | -178.1 | -67.7 | -48.1 | 0 | 0 | 0 | 113.4 | S11 F123 H128 I132 E133 N138 | S11-H130 VanDerWaalsContact CB-CE1 3.45Å; S11-H130 WeakPolarHBondContact CB-CE1 3.32Å; S11-H130 PolarHBondContact OG-CE1 3.15Å; F123-H130 WeakPolarHBondContact CE2-O 3.38Å; F123-H130 WeakPolarHBondContact CZ-O 3.49Å; H128-H130 VanDerWaalsContact C-N 3.29Å; H130-I132 WeakPolarHBondContact CB-O 3.42Å; H130-I132 PolarHBondContact O-N 3.43Å; H130-E133 HydrophobicContact CB-CG 3.74Å; H130-E133 PolarHBondContact N-OE1 2.84Å; H130-N138 PolarHBondContact O-ND2 3.16Å |
| 131 | V | 86.9 | Confident | 83.5 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -67.3 | -22.8 | 173.8 | 176.8 | 0 | 0 | 0 | 0 | 112 | T14 F123 C137 N138 L139 H150 | T14-V131 HydrophobicContact CG2-CG2 4.13Å; F123-V131 HydrophobicContact CD1-CG2 4Å; F123-V131 HydrophobicContact CD2-CG2 4.07Å; F123-V131 HydrophobicContact CE1-CG2 3.93Å; F123-V131 HydrophobicContact CE2-CB 4.4Å; F123-V131 HydrophobicContact CE2-CG2 4.02Å; F123-V131 HydrophobicContact CG-CG2 4.07Å; F123-V131 HydrophobicContact CZ-CG2 3.96Å; V131-C137 CarbonylContact O-C 3.42Å; V131-C137 WeakPolarHBondContact O-CA 3.38Å; V131-C137 PolarHBondContact O-SG 2.96Å; V131-N138 PolarHBondContact O-N 3.46Å; V131-N138 VanDerWaalsContact O-N 3.08Å; V131-L139 HydrophobicContact CG1-CB 4.09Å; V131-L139 HydrophobicContact CG1-CD1 3.71Å; V131-L139 HydrophobicContact CG1-CG 4.01Å; V131-L139 HydrophobicContact CG2-CD1 4.38Å; V131-H150 HydrophobicContact CG1-CB 3.56Å |
| 132 | I | 88 | Confident | 84.5 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117.2 | 173.3 | -58.2 | 168.2 | 0 | 0 | 0 | 108.6 | H130 H136 C137 V144 H150 | H130-I132 WeakPolarHBondContact CB-O 3.42Å; H130-I132 PolarHBondContact O-N 3.43Å; I132-H136 CarbonylContact C-O 3.53Å; I132-H136 WeakPolarHBondContact CA-O 3.46Å; I132-H136 WeakPolarHBondContact CG2-O 3.45Å; I132-C137 HydrophobicContact CG1-CB 3.94Å; I132-V144 HydrophobicContact CD1-CG2 4.21Å; I132-V144 HydrophobicContact CG1-CG2 4.47Å; I132-V144 HydrophobicContact CG2-CG2 3.92Å; I132-H150 HydrophobicContact CD1-CB 4.38Å |
| 133 | E | 87.4 | Confident | 85.4 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.1 | -177.9 | -68.6 | 173.3 | 159.6 | 0 | 0 | 107.7 | H128 A129 H130 L135 H136 N138 | H128-E133 IonicContact CE1-OE2 3.48Å; H128-E133 IonicContact CG-OE2 3.43Å; H128-E133 IonicContact ND1-OE2 3.8Å; H128-E133 PolarHBondContact ND1-OE2 3.14Å; A129-E133 WeakPolarHBondContact CA-OE1 3.46Å; A129-E133 PolarHBondContact N-OE1 2.93Å; H130-E133 HydrophobicContact CB-CG 3.74Å; H130-E133 PolarHBondContact N-OE1 2.84Å; E133-L135 PolarHBondContact O-N 3.45Å; E133-H136 PolarHBondContact N-O 2.89Å; E133-H136 WeakPolarHBondContact O-CA 3.2Å; E133-H136 WeakPolarHBondContact O-CB 3.49Å; E133-H136 PolarHBondContact O-N 2.89Å; E133-H136 VanDerWaalsContact O-O 3.12Å; E133-N138 PolarHBondContact OE2-ND2 3.49Å |
| 134 | D | 89.2 | Confident | 86.2 | Confident | 168 Ų | 168 | 66 Ų | 66 | 90% | 0.898 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 38.5 | -179.5 | -57.5 | -31.2 | 0 | 0 | 0 | 115.7 | H136 | D134-H136 PolarHBondContact O-N 3.3Š|
| 135 | L | 91.8 | Very high | 87 | Confident | 92 Ų | 92 | 65 Ų | 65 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 2.3 | -174.3 | -53.8 | -177.9 | 0 | 0 | 0 | 115.5 | E133 D143 V144 A146 | E133-L135 PolarHBondContact O-N 3.45Å; L135-D143 CarbonylContact O-C 3.56Å; L135-D143 WeakPolarHBondContact O-CA 3.43Å; L135-V144 VanDerWaalsContact O-CG2 3.26Å; L135-V144 WeakPolarHBondContact O-CG2 3.38Å; L135-V144 PolarHBondContact O-N 3.19Å; L135-A146 HydrophobicContact CD2-CB 4.1Å |
| 136 | H | 92.1 | Very high | 87.5 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.1 | 169.7 | -167.3 | 80.9 | 0 | 0 | 0 | 111.7 | I132 E133 D134 V142 D143 | I132-H136 CarbonylContact C-O 3.53Å; I132-H136 WeakPolarHBondContact CA-O 3.46Å; I132-H136 WeakPolarHBondContact CG2-O 3.45Å; E133-H136 PolarHBondContact N-O 2.89Å; E133-H136 WeakPolarHBondContact O-CA 3.2Å; E133-H136 WeakPolarHBondContact O-CB 3.49Å; E133-H136 PolarHBondContact O-N 2.89Å; E133-H136 VanDerWaalsContact O-O 3.12Å; D134-H136 PolarHBondContact O-N 3.3Å; H136-V142 PolarHBondContact CE1-N 3.12Å; H136-D143 IonicContact CE1-OD1 3.71Å; H136-D143 IonicContact CG-OD1 2.67Å; H136-D143 IonicContact ND1-OD1 3.6Å; H136-D143 PolarHBondContact ND1-OD1 2.92Å |
| 137 | C | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 105.1 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | V131 I132 L139 C140 D141 V142 V144 C157 | V131-C137 CarbonylContact O-C 3.42Å; V131-C137 WeakPolarHBondContact O-CA 3.38Å; V131-C137 PolarHBondContact O-SG 2.96Å; I132-C137 HydrophobicContact CG1-CB 3.94Å; C137-L139 PolarHBondContact O-N 2.87Å; C137-C140 HydrophobicContact CB-CB 4.22Å; C137-C140 PolarHBondContact O-N 3.5Å; C137-C140 VanDerWaalsContact O-N 3.1Å; C137-D141 WeakPolarHBondContact O-CA 3.35Å; C137-D141 PolarHBondContact O-N 3.34Å; C137-V142 PolarHBondContact N-O 2.9Å; C137-V144 HydrophobicContact CB-CG1 4.03Å; C137-V144 HydrophobicContact CB-CG2 4.46Å; C137-C157 PolarHBondContact SG-SG 3.21Å |
| 138 | N | 90.3 | Very high | 89.2 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.6 | -178.7 | -57 | -42.9 | 0 | 0 | 0 | 114.7 | F123 H128 H130 V131 E133 | F123-N138 HydrophobicContact CD2-CB 4.49Å; F123-N138 HydrophobicContact CE2-CB 4.21Å; H128-N138 PolarHBondContact CE1-OD1 3.48Å; H128-N138 VanDerWaalsContact CG-ND2 3.33Å; H128-N138 PolarHBondContact ND1-ND2 3.26Å; H128-N138 VanDerWaalsContact ND1-ND2 3.1Å; H130-N138 PolarHBondContact O-ND2 3.16Å; V131-N138 PolarHBondContact O-N 3.46Å; V131-N138 VanDerWaalsContact O-N 3.08Å; E133-N138 PolarHBondContact OE2-ND2 3.49Å |
| 139 | L | 88.7 | Confident | 90 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -37.2 | 173.9 | -89.1 | -177 | 0 | 0 | 0 | 114.1 | P121 F123 V131 C137 | P121-L139 WeakPolarHBondContact CD-O 3.33Å; P121-L139 WeakPolarHBondContact O-CD2 3.28Å; F123-L139 HydrophobicContact CB-CD1 4.17Å; F123-L139 HydrophobicContact CB-CD2 3.68Å; F123-L139 HydrophobicContact CB-CG 3.9Å; F123-L139 HydrophobicContact CD2-CG 4.19Å; F123-L139 HydrophobicContact CG-CG 4.38Å; V131-L139 HydrophobicContact CG1-CB 4.09Å; V131-L139 HydrophobicContact CG1-CD1 3.71Å; V131-L139 HydrophobicContact CG1-CG 4.01Å; V131-L139 HydrophobicContact CG2-CD1 4.38Å; C137-L139 PolarHBondContact O-N 2.87Å |
| 140 | C | 88.4 | Confident | 90.9 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16 | 177.8 | -63.9 | 0 | 0 | 0 | 0 | 112 | V111 K114 C137 V142 H150 | V111-C140 HydrophobicContact CG2-CB 4.27Å; K114-C140 PolarHBondContact NZ-O 2.85Å; C137-C140 HydrophobicContact CB-CB 4.22Å; C137-C140 PolarHBondContact O-N 3.5Å; C137-C140 VanDerWaalsContact O-N 3.1Å; C140-V142 HydrophobicContact CB-CG2 3.78Å; C140-H150 VanDerWaalsContact SG-CE1 3.55Å |
| 141 | D | 89.9 | Confident | 91.5 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 53.9 | -176.2 | 167.6 | 57.8 | 0 | 0 | 0 | 110.1 | K114 C137 | K114-D141 VanDerWaalsContact NZ-CB 3.3Å; K114-D141 VanDerWaalsContact NZ-CG 3.3Å; K114-D141 PolarHBondContact NZ-O 3.46Å; K114-D141 IonicContact NZ-OD2 3.49Å; K114-D141 PolarHBondContact NZ-OD2 2.89Å; C137-D141 WeakPolarHBondContact O-CA 3.35Å; C137-D141 PolarHBondContact O-N 3.34Å |
| 142 | V | 90.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 150.9 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | N110 V111 K114 H136 C137 C140 V144 | N110-V142 HydrophobicContact CB-CB 4.38Å; V111-V142 HydrophobicContact CG2-CG2 3.62Å; K114-V142 HydrophobicContact CB-CG1 4.23Å; K114-V142 HydrophobicContact CD-CG1 3.48Å; K114-V142 VanDerWaalsContact CD-CG1 3.48Å; K114-V142 HydrophobicContact CG-CG1 4.48Å; H136-V142 PolarHBondContact CE1-N 3.12Å; C137-V142 PolarHBondContact N-O 2.9Å; C140-V142 HydrophobicContact CB-CG2 3.78Å; V142-V144 HydrophobicContact CG2-CG1 3.97Å |
| 143 | D | 93.8 | Very high | 91.9 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 145.7 | 163.9 | -55.8 | -29.5 | 0 | 0 | 0 | 110.3 | N110 L135 H136 | N110-D143 WeakPolarHBondContact CB-O 3.29Å; N110-D143 PolarHBondContact ND2-O 3.43Å; L135-D143 CarbonylContact O-C 3.56Å; L135-D143 WeakPolarHBondContact O-CA 3.43Å; H136-D143 IonicContact CE1-OD1 3.71Å; H136-D143 IonicContact CG-OD1 2.67Å; H136-D143 IonicContact ND1-OD1 3.6Å; H136-D143 PolarHBondContact ND1-OD1 2.92Å |
| 144 | V | 93.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | trans | -135.6 | 158.4 | -175.5 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | D108 V111 I132 L135 C137 V142 C157 | D108-V144 WeakPolarHBondContact OD2-CB 3.37Å; V111-V144 HydrophobicContact CG2-CG1 4.39Å; I132-V144 HydrophobicContact CD1-CG2 4.21Å; I132-V144 HydrophobicContact CG1-CG2 4.47Å; I132-V144 HydrophobicContact CG2-CG2 3.92Å; L135-V144 VanDerWaalsContact O-CG2 3.26Å; L135-V144 WeakPolarHBondContact O-CG2 3.38Å; L135-V144 PolarHBondContact O-N 3.19Å; C137-V144 HydrophobicContact CB-CG1 4.03Å; C137-V144 HydrophobicContact CB-CG2 4.46Å; V142-V144 HydrophobicContact CG2-CG1 3.97Å; V144-C157 HydrophobicContact CG1-CB 3.76Å | ||
| 145 | S | 93.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 43.4 Ų | 43.4 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | trans | -62 | 154.7 | 178.4 | 91 | 0 | 0 | 0 | 0 | 112.5 | D108 R147 S148 C159 | D108-S145 PolarHBondContact OD2-N 2.63Å; S145-R147 PolarHBondContact O-N 2.95Å; S145-R147 PolarHBondContact OG-N 3.41Å; S145-S148 PolarHBondContact N-OG 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.25Å; S145-S148 WeakPolarHBondContact O-CB 3.34Å; S145-S148 PolarHBondContact O-N 3.12Å; S145-S148 PolarHBondContact O-OG 2.91Å; S145-S148 PolarHBondContact OG-N 2.83Å; S145-S148 PolarHBondContact OG-OG 3.49Å; S145-C159 PolarHBondContact OG-SG 2.93Å | ||
| 146 | A | 93.1 | Very high | 92.4 | Very high | 77 Ų | 77 | 39 Ų | 39 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L135 | L135-A146 HydrophobicContact CD2-CB 4.1Š|
| 147 | R | 91.9 | Very high | 92.5 | Very high | 123 Ų | 123 | 36.5 Ų | 36.5 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.7 | 177.2 | -49 | -153.9 | -48.8 | 149 | 3.5 | 113.5 | S145 G160 E174 | S145-R147 PolarHBondContact O-N 2.95Å; S145-R147 PolarHBondContact OG-N 3.41Å; R147-G160 PolarHBondContact O-N 3.35Å; R147-E174 IonicContact CZ-OE2 3.59Å; R147-E174 IonicContact NE-OE2 3.14Å; R147-E174 VanDerWaalsContact NH2-CD 3.3Å; R147-E174 IonicContact NH2-OE1 2.71Å; R147-E174 IonicContact NH2-OE2 3.61Å; R147-E174 PolarHBondContact NH2-OE2 3.06Å |
| 148 | S | 94.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | trans | -76.2 | 144.2 | -175.1 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | D108 S145 V158 C159 | D108-S148 WeakPolarHBondContact OD2-CB 3.48Å; D108-S148 PolarHBondContact OD2-OG 3.01Å; S145-S148 PolarHBondContact N-OG 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.25Å; S145-S148 WeakPolarHBondContact O-CB 3.34Å; S145-S148 PolarHBondContact O-N 3.12Å; S145-S148 PolarHBondContact O-OG 2.91Å; S145-S148 PolarHBondContact OG-N 2.83Å; S145-S148 PolarHBondContact OG-OG 3.49Å; S148-V158 VanDerWaalsContact CA-O 3.28Å; S148-V158 WeakPolarHBondContact CA-O 3.5Å; S148-C159 VanDerWaalsContact OG-CA 3.32Å; S148-C159 WeakPolarHBondContact OG-CA 3.43Å | ||
| 149 | K | 95.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.3 | 173.4 | -49.4 | -65.7 | 167.8 | -162.7 | 0 | 109 | C157 V158 F161 Y280 | K149-C157 WeakPolarHBondContact O-CA 3.44Å; K149-V158 PolarHBondContact N-O 3.16Å; K149-V158 VanDerWaalsContact N-O 3.15Å; K149-V158 PolarHBondContact O-N 2.94Å; K149-F161 HydrophobicContact CB-CB 3.75Å; K149-F161 HydrophobicContact CB-CD1 3.97Å; K149-F161 HydrophobicContact CB-CG 3.94Å; K149-F161 HydrophobicContact CG-CB 3.75Å; K149-F161 HydrophobicContact CG-CD1 4.05Å; K149-F161 HydrophobicContact CG-CG 4.22Å; K149-Y280 HydrophobicContact CD-CD1 4.5Å; K149-Y280 HydrophobicContact CD-CE1 3.91Å; K149-Y280 HydrophobicContact CG-CD1 4.44Å; K149-Y280 HydrophobicContact CG-CE1 4.26Å |
| 150 | H | 95 | Very high | 93.4 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.6 | 171.6 | -167.2 | 98.6 | 0 | 0 | 0 | 109.8 | V131 I132 C140 | V131-H150 HydrophobicContact CG1-CB 3.56Å; I132-H150 HydrophobicContact CD1-CB 4.38Å; C140-H150 VanDerWaalsContact SG-CE1 3.55Å |
| 151 | C | 95.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110.1 | 173 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | A153 C154 N155 K156 F161 | C151-A153 PolarHBondContact O-N 3.49Å; C151-C154 HydrophobicContact CB-CB 4.2Å; C151-C154 CarbonylContact O-C 3.59Å; C151-C154 PolarHBondContact O-N 2.88Å; C151-C154 VanDerWaalsContact O-N 3.11Å; C151-N155 WeakPolarHBondContact O-CA 3.34Å; C151-N155 PolarHBondContact O-N 2.99Å; C151-K156 PolarHBondContact N-O 3.2Å; C151-K156 PolarHBondContact O-N 3.14Å; C151-F161 HydrophobicContact CB-CD2 4.48Å; C151-F161 HydrophobicContact CB-CE2 3.81Å; C151-F161 HydrophobicContact CB-CZ 4.4Å |
| 152 | S | 91.7 | Very high | 94.2 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 48% | 0.483 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -59.6 | -41.9 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | C154 N155 | S152-C154 PolarHBondContact O-N 3.48Å; S152-C154 VanDerWaalsContact O-N 3.08Å; S152-N155 PolarHBondContact O-N 2.79Å; S152-N155 PolarHBondContact O-ND2 2.67Å; S152-N155 PolarHBondContact O-OD1 3.32Å; S152-N155 VanDerWaalsContact O-OD1 3.12Å |
| 153 | A | 91.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 32.5 Ų | 32.5 | 47% | 0.471 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -61.6 | -19.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C151 | C151-A153 PolarHBondContact O-N 3.49Š|
| 154 | C | 92.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -108.6 | -7.5 | 172.4 | -79.9 | 0 | 0 | 0 | 0 | 113.7 | R41 C151 S152 K156 H164 C171 | R41-C154 HydrophobicContact CB-CB 4.1Å; R41-C154 WeakPolarHBondContact CB-O 3.48Å; R41-C154 VanDerWaalsContact CD-SG 3.57Å; R41-C154 PolarHBondContact N-O 2.94Å; C151-C154 HydrophobicContact CB-CB 4.2Å; C151-C154 CarbonylContact O-C 3.59Å; C151-C154 PolarHBondContact O-N 2.88Å; C151-C154 VanDerWaalsContact O-N 3.11Å; S152-C154 PolarHBondContact O-N 3.48Å; S152-C154 VanDerWaalsContact O-N 3.08Å; C154-K156 VanDerWaalsContact C-N 3.32Å; C154-K156 HydrophobicContact CB-CD 4.25Å; C154-K156 HydrophobicContact CB-CG 3.98Å; C154-K156 PolarHBondContact O-N 2.88Å; C154-H164 VanDerWaalsContact SG-CE1 3.52Å; C154-H164 PolarHBondContact SG-ND1 3.04Å; C154-C171 PolarHBondContact SG-SG 3.46Å |
| 155 | N | 91.9 | Very high | 95 | Very high | 22 Ų | 22 | 30 Ų | 30 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41 | 56.8 | -168.8 | -72.1 | -52.9 | 0 | 0 | 0 | 112.7 | Q38 S40 L120 C151 S152 | Q38-N155 WeakPolarHBondContact CB-ND2 3.48Å; Q38-N155 PolarHBondContact OE1-ND2 3.21Å; S40-N155 VanDerWaalsContact CB-O 3.27Å; S40-N155 WeakPolarHBondContact CB-O 3.16Å; S40-N155 PolarHBondContact OG-O 3.24Å; L120-N155 HydrophobicContact CD1-CB 3.76Å; L120-N155 WeakPolarHBondContact CD1-O 3.42Å; L120-N155 HydrophobicContact CG-CB 4.47Å; C151-N155 WeakPolarHBondContact O-CA 3.34Å; C151-N155 PolarHBondContact O-N 2.99Å; S152-N155 PolarHBondContact O-N 2.79Å; S152-N155 PolarHBondContact O-ND2 2.67Å; S152-N155 PolarHBondContact O-OD1 3.32Å; S152-N155 VanDerWaalsContact O-OD1 3.12Å |
| 156 | K | 92.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 157.3 | 175.5 | 73.5 | -163.1 | -166.2 | 171.9 | 0 | 113.9 | R41 R42 D105 A107 V111 C151 C154 V158 | R41-K156 VanDerWaalsContact O-CD 3.27Å; R41-K156 WeakPolarHBondContact O-CD 3.17Å; R41-K156 VanDerWaalsContact O-CE 3.25Å; R41-K156 WeakPolarHBondContact O-CE 3.45Å; R41-K156 PolarHBondContact O-NZ 3.23Å; R42-K156 PolarHBondContact O-NZ 3.43Å; D105-K156 IonicContact OD1-NZ 3.91Å; D105-K156 PolarHBondContact OD1-NZ 3.3Å; A107-K156 HydrophobicContact CB-CD 3.9Å; A107-K156 HydrophobicContact CB-CG 4.36Å; V111-K156 HydrophobicContact CG1-CB 4.18Å; C151-K156 PolarHBondContact N-O 3.2Å; C151-K156 PolarHBondContact O-N 3.14Å; C154-K156 VanDerWaalsContact C-N 3.32Å; C154-K156 HydrophobicContact CB-CD 4.25Å; C154-K156 HydrophobicContact CB-CG 3.98Å; C154-K156 PolarHBondContact O-N 2.88Å; K156-V158 HydrophobicContact CG-CG2 4.1Å |
| 157 | C | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 138.3 | 165.9 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | A107 D108 V111 C137 V144 K149 | A107-C157 VanDerWaalsContact CA-O 3.31Å; A107-C157 WeakPolarHBondContact CA-O 3.24Å; D108-C157 HydrophobicContact CB-CB 4.48Å; D108-C157 PolarHBondContact N-O 3.23Å; V111-C157 HydrophobicContact CG2-CB 3.91Å; C137-C157 PolarHBondContact SG-SG 3.21Å; V144-C157 HydrophobicContact CG1-CB 3.76Å; K149-C157 WeakPolarHBondContact O-CA 3.44Å |
| 158 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.7 | -178.3 | 168.3 | 0 | 0 | 0 | 0 | 108.4 | P106 S148 K149 K156 F161 C171 | P106-V158 HydrophobicContact CB-CG1 4.27Å; P106-V158 HydrophobicContact CG-CG2 4.35Å; P106-V158 WeakPolarHBondContact O-CG1 3.29Å; S148-V158 VanDerWaalsContact CA-O 3.28Å; S148-V158 WeakPolarHBondContact CA-O 3.5Å; K149-V158 PolarHBondContact N-O 3.16Å; K149-V158 VanDerWaalsContact N-O 3.15Å; K149-V158 PolarHBondContact O-N 2.94Å; K156-V158 HydrophobicContact CG-CG2 4.1Å; V158-F161 HydrophobicContact CB-CB 4.23Å; V158-F161 HydrophobicContact CB-CD2 3.92Å; V158-F161 HydrophobicContact CG1-CB 4.06Å; V158-F161 HydrophobicContact CG1-CD2 3.95Å; V158-F161 HydrophobicContact CG2-CD2 4.47Å; V158-C171 HydrophobicContact CG1-CB 4.33Å; V158-C171 HydrophobicContact CG2-CB 3.78Å |
| 159 | C | 96.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 29 Ų | 29 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 135 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 111 | S145 S148 F161 E174 | S145-C159 PolarHBondContact OG-SG 2.93Å; S148-C159 VanDerWaalsContact OG-CA 3.32Å; S148-C159 WeakPolarHBondContact OG-CA 3.43Å; C159-F161 VanDerWaalsContact C-N 3.28Å; C159-F161 PolarHBondContact O-N 3.21Å; C159-E174 PolarHBondContact O-N 3.25Å; C159-E174 PolarHBondContact SG-OE2 3.47Å |
| 160 | G | 95.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 45.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R147 D162 G173 E174 | R147-G160 PolarHBondContact O-N 3.35Å; G160-D162 PolarHBondContact O-N 3.2Å; G160-G173 WeakPolarHBondContact O-CA 3.49Å; G160-E174 PolarHBondContact O-N 3.04Å |
| 161 | F | 97.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 10% | 0.096 | 14% | 0.137 | C | C | . | . | trans | -57.8 | 127.3 | -175.2 | 175.8 | -96.4 | 0 | 0 | 0 | 112 | K149 C151 V158 C159 C171 T278 Y280 | K149-F161 HydrophobicContact CB-CB 3.75Å; K149-F161 HydrophobicContact CB-CD1 3.97Å; K149-F161 HydrophobicContact CB-CG 3.94Å; K149-F161 HydrophobicContact CG-CB 3.75Å; K149-F161 HydrophobicContact CG-CD1 4.05Å; K149-F161 HydrophobicContact CG-CG 4.22Å; C151-F161 HydrophobicContact CB-CD2 4.48Å; C151-F161 HydrophobicContact CB-CE2 3.81Å; C151-F161 HydrophobicContact CB-CZ 4.4Å; V158-F161 HydrophobicContact CB-CB 4.23Å; V158-F161 HydrophobicContact CB-CD2 3.92Å; V158-F161 HydrophobicContact CG1-CB 4.06Å; V158-F161 HydrophobicContact CG1-CD2 3.95Å; V158-F161 HydrophobicContact CG2-CD2 4.47Å; C159-F161 VanDerWaalsContact C-N 3.28Å; C159-F161 PolarHBondContact O-N 3.21Å; F161-C171 HydrophobicContact CE2-CB 4.5Å; F161-T278 PolarHBondContact O-OG1 2.95Å; F161-Y280 HydrophobicContact CD1-CD2 4.1Å; F161-Y280 HydrophobicContact CD1-CG 4.04Å; F161-Y280 AromaticContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CG 4.2Å | ||
| 162 | D | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | trans | -104.5 | -60.2 | 177.2 | -171 | 84.4 | 0 | 0 | 0 | 111.2 | G160 V172 Y177 H269 T278 T279 Y280 | G160-D162 PolarHBondContact O-N 3.2Å; D162-V172 HydrophobicContact CB-CG1 4.27Å; D162-V172 WeakPolarHBondContact CB-O 3.23Å; D162-V172 PolarHBondContact N-O 3.35Å; D162-Y177 HydrophobicContact CB-CD2 4.17Å; D162-Y177 HydrophobicContact CB-CE2 4.15Å; D162-H269 IonicContact OD2-CE1 3.85Å; D162-H269 PolarHBondContact OD2-CE1 3.47Å; D162-T278 WeakPolarHBondContact OD1-CA 3.45Å; D162-T278 WeakPolarHBondContact OD1-CB 3.28Å; D162-T279 VanDerWaalsContact CG-OG1 3.28Å; D162-T279 PolarHBondContact OD1-N 3.23Å; D162-T279 PolarHBondContact OD1-OG1 3.16Å; D162-T279 VanDerWaalsContact OD2-CB 3.28Å; D162-T279 WeakPolarHBondContact OD2-CB 3.43Å; D162-T279 PolarHBondContact OD2-OG1 3.1Å; D162-Y280 WeakPolarHBondContact O-CB 3.25Å; D162-Y280 PolarHBondContact O-N 3.44Å | ||
| 163 | H | 97.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 21.8 Ų | 21.8 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 169.5 | 174.4 | 66.7 | -83.5 | 0 | 0 | 0 | 112.2 | C165 V172 F180 | H163-C165 WeakPolarHBondContact NE2-CB 3.32Å; H163-V172 PolarHBondContact N-O 3.36Å; H163-V172 PolarHBondContact O-N 3.18Å; H163-F180 AromaticContact CE1-CZ 3.73Å |
| 164 | H | 97.8 | Very high | 96.8 | Very high | 45 Ų | 45 | 24.2 Ų | 24.2 | 21% | 0.208 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.7 | 163.9 | 179.2 | 89.9 | 0 | 0 | 0 | 109.7 | C154 | C154-H164 VanDerWaalsContact SG-CE1 3.52Å; C154-H164 PolarHBondContact SG-ND1 3.04Å |
| 165 | C | 98.3 | Very high | 97 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 107.4 | -175.4 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | H163 W167 L168 N169 N170 V172 | H163-C165 WeakPolarHBondContact NE2-CB 3.32Å; C165-W167 PolarHBondContact O-N 3.24Å; C165-L168 HydrophobicContact CB-CB 4.13Å; C165-L168 HydrophobicContact CB-CD1 4.27Å; C165-L168 HydrophobicContact CB-CG 4.24Å; C165-L168 PolarHBondContact O-N 3.4Å; C165-N169 WeakPolarHBondContact O-CA 3.4Å; C165-N169 PolarHBondContact O-N 3.34Å; C165-N170 PolarHBondContact N-O 2.98Å; C165-N170 PolarHBondContact O-N 3.22Å; C165-V172 HydrophobicContact CB-CG2 3.82Å |
| 166 | K | 97.8 | Very high | 97.3 | Very high | 100 Ų | 100 | 29.8 Ų | 29.8 | 44% | 0.435 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.8 | 177 | -66.9 | 179.6 | 178.8 | -178 | 0 | 114.1 | H50 L52 | H50-K166 PolarHBondContact ND1-O 3.48Å; L52-K166 HydrophobicContact CD1-CB 3.94Å; L52-K166 HydrophobicContact CD1-CD 4.2Å |
| 167 | W | 98.1 | Very high | 97.6 | Very high | 117 Ų | 117 | 31.7 Ų | 31.7 | 44% | 0.443 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -32.3 | 177.7 | -59.8 | 104.8 | 0 | 0 | 0 | 112.6 | L52 V55 A56 C165 | L52-W167 HydrophobicContact CB-CD2 4.04Å; L52-W167 HydrophobicContact CB-CE3 3.76Å; L52-W167 HydrophobicContact CB-CH2 4.46Å; L52-W167 HydrophobicContact CB-CZ3 3.99Å; L52-W167 HydrophobicContact CD1-CZ2 4.35Å; L52-W167 HydrophobicContact CD2-CH2 3.87Å; L52-W167 HydrophobicContact CD2-CZ2 4.24Å; L52-W167 HydrophobicContact CD2-CZ3 4.09Å; L52-W167 WeakPolarHBondContact O-CZ3 3.15Å; V55-W167 HydrophobicContact CG1-CZ3 4.37Å; A56-W167 HydrophobicContact CB-CE3 3.93Å; A56-W167 HydrophobicContact CB-CZ3 4.35Å; C165-W167 PolarHBondContact O-N 3.24Å |
| 168 | L | 97.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.5 | 170.7 | -62.5 | 179.7 | 0 | 0 | 0 | 112.9 | G44 A101 V102 C165 N170 V172 F180 | G44-L168 VanDerWaalsContact CA-O 3.28Å; G44-L168 WeakPolarHBondContact CA-O 3.48Å; A101-L168 HydrophobicContact CB-CD1 4.27Å; A101-L168 HydrophobicContact CB-CD2 4.18Å; V102-L168 HydrophobicContact CG2-CB 4.41Å; V102-L168 HydrophobicContact CG2-CD2 3.71Å; C165-L168 HydrophobicContact CB-CB 4.13Å; C165-L168 HydrophobicContact CB-CD1 4.27Å; C165-L168 HydrophobicContact CB-CG 4.24Å; C165-L168 PolarHBondContact O-N 3.4Å; L168-N170 HydrophobicContact CB-CB 4.07Å; L168-N170 PolarHBondContact O-N 3.11Å; L168-V172 HydrophobicContact CD1-CG2 4Å; L168-F180 HydrophobicContact CD1-CB 4.43Å; L168-F180 HydrophobicContact CD1-CD2 4Å |
| 169 | N | 97.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 32.2 | -167.3 | -171.9 | 31.6 | 0 | 0 | 0 | 112.8 | R41 G44 P48 P49 H50 Q53 C165 | R41-N169 WeakPolarHBondContact CD-O 3.43Å; R41-N169 VanDerWaalsContact NH1-CG 3.33Å; R41-N169 PolarHBondContact NH1-ND2 3.03Å; R41-N169 PolarHBondContact NH1-OD1 3.24Å; G44-N169 WeakPolarHBondContact CA-O 3.38Å; G44-N169 PolarHBondContact O-ND2 2.87Å; G44-N169 VanDerWaalsContact O-ND2 3.14Å; P48-N169 PolarHBondContact O-ND2 3.37Å; P49-N169 WeakPolarHBondContact CA-ND2 3.33Å; H50-N169 HydrophobicContact CB-CB 4.14Å; Q53-N169 HydrophobicContact CB-CB 4.22Å; Q53-N169 VanDerWaalsContact CD-CB 3.47Å; Q53-N169 HydrophobicContact CG-CB 4.28Å; Q53-N169 PolarHBondContact OE1-ND2 3.43Å; Q53-N169 VanDerWaalsContact OE1-ND2 3.15Å; C165-N169 WeakPolarHBondContact O-CA 3.4Å; C165-N169 PolarHBondContact O-N 3.34Å |
| 170 | N | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 158.8 | -168.3 | -161.7 | 5.6 | 0 | 0 | 0 | 110.3 | V102 I104 P106 C165 L168 | V102-N170 PolarHBondContact O-ND2 3.4Å; I104-N170 PolarHBondContact O-ND2 3.03Å; P106-N170 WeakPolarHBondContact CD-OD1 3.36Å; P106-N170 WeakPolarHBondContact CG-OD1 3.43Å; C165-N170 PolarHBondContact N-O 2.98Å; C165-N170 PolarHBondContact O-N 3.22Å; L168-N170 HydrophobicContact CB-CB 4.07Å; L168-N170 PolarHBondContact O-N 3.11Å |
| 171 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147.6 | 168.3 | -75.1 | 0 | 0 | 0 | 0 | 111.3 | P106 C154 V158 F161 N176 | P106-C171 HydrophobicContact CB-CB 4.42Å; P106-C171 HydrophobicContact CG-CB 3.7Å; P106-C171 WeakPolarHBondContact CG-O 3.49Å; C154-C171 PolarHBondContact SG-SG 3.46Å; V158-C171 HydrophobicContact CG1-CB 4.33Å; V158-C171 HydrophobicContact CG2-CB 3.78Å; F161-C171 HydrophobicContact CE2-CB 4.5Å; C171-N176 PolarHBondContact O-ND2 3.5Å |
| 172 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.9 | 162.6 | -179 | 0 | 0 | 0 | 0 | 106.9 | D162 H163 C165 L168 N176 Y177 F180 | D162-V172 HydrophobicContact CB-CG1 4.27Å; D162-V172 WeakPolarHBondContact CB-O 3.23Å; D162-V172 PolarHBondContact N-O 3.35Å; H163-V172 PolarHBondContact N-O 3.36Å; H163-V172 PolarHBondContact O-N 3.18Å; C165-V172 HydrophobicContact CB-CG2 3.82Å; L168-V172 HydrophobicContact CD1-CG2 4Å; V172-N176 WeakPolarHBondContact CA-OD1 3.49Å; V172-Y177 HydrophobicContact CG1-CD2 3.8Å; V172-F180 HydrophobicContact CG1-CB 4.03Å; V172-F180 HydrophobicContact CG1-CD1 3.98Å; V172-F180 HydrophobicContact CG1-CG 4Å; V172-F180 HydrophobicContact CG2-CB 4.14Å; V172-F180 HydrophobicContact CG2-CD1 4.49Å; V172-F180 HydrophobicContact CG2-CD2 3.87Å; V172-F180 HydrophobicContact CG2-CE2 4.43Å; V172-F180 HydrophobicContact CG2-CG 3.9Å |
| 173 | G | 97.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -149.1 | -173.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G160 R175 N176 Y177 | G160-G173 WeakPolarHBondContact O-CA 3.49Å; G173-R175 PolarHBondContact O-N 3.34Å; G173-N176 PolarHBondContact N-OD1 2.93Å; G173-N176 PolarHBondContact O-N 3.43Å; G173-N176 VanDerWaalsContact O-N 3.08Å; G173-N176 PolarHBondContact O-OD1 3.26Å; G173-N176 VanDerWaalsContact O-OD1 3.06Å; G173-Y177 WeakPolarHBondContact O-CB 3.47Å; G173-Y177 PolarHBondContact O-N 3.29Å | ||
| 174 | E | 97 | Very high | 98.1 | Very high | 109 Ų | 109 | 46.3 Ų | 46.3 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -41.2 | -168.7 | -175.8 | 166.2 | 173.1 | 0 | 0 | 113.9 | R147 C159 G160 N176 | R147-E174 IonicContact CZ-OE2 3.59Å; R147-E174 IonicContact NE-OE2 3.14Å; R147-E174 VanDerWaalsContact NH2-CD 3.3Å; R147-E174 IonicContact NH2-OE1 2.71Å; R147-E174 IonicContact NH2-OE2 3.61Å; R147-E174 PolarHBondContact NH2-OE2 3.06Å; C159-E174 PolarHBondContact O-N 3.25Å; C159-E174 PolarHBondContact SG-OE2 3.47Å; G160-E174 PolarHBondContact O-N 3.04Å; E174-N176 PolarHBondContact O-N 3.36Å |
| 175 | R | 97.3 | Very high | 98.2 | Very high | 139 Ų | 139 | 46 Ų | 46 | 53% | 0.525 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.4 | -175.8 | -171.2 | 173.6 | 164.9 | 87.5 | 2.8 | 114.8 | I104 D105 G173 | I104-R175 HydrophobicContact CG2-CG 3.96Å; D105-R175 WeakPolarHBondContact O-CD 3.26Å; D105-R175 PolarHBondContact O-NE 2.95Å; G173-R175 PolarHBondContact O-N 3.34Å |
| 176 | N | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -1.1 | 179.6 | 68.3 | -15.4 | 0 | 0 | 0 | 114.9 | I104 C171 V172 G173 E174 R178 L179 F180 | I104-N176 HydrophobicContact CB-CB 4.23Å; I104-N176 HydrophobicContact CG2-CB 3.91Å; C171-N176 PolarHBondContact O-ND2 3.5Å; V172-N176 WeakPolarHBondContact CA-OD1 3.49Å; G173-N176 PolarHBondContact N-OD1 2.93Å; G173-N176 PolarHBondContact O-N 3.43Å; G173-N176 VanDerWaalsContact O-N 3.08Å; G173-N176 PolarHBondContact O-OD1 3.26Å; G173-N176 VanDerWaalsContact O-OD1 3.06Å; E174-N176 PolarHBondContact O-N 3.36Å; N176-R178 VanDerWaalsContact C-N 3.35Å; N176-R178 PolarHBondContact O-N 2.88Å; N176-L179 PolarHBondContact O-N 2.96Å; N176-F180 PolarHBondContact O-N 2.98Å |
| 177 | Y | 98.3 | Very high | 98.2 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52 | -46.9 | -178.3 | -169.9 | -95.5 | 0 | 0 | 0 | 113.5 | D162 V172 G173 L179 F180 L181 M273 | D162-Y177 HydrophobicContact CB-CD2 4.17Å; D162-Y177 HydrophobicContact CB-CE2 4.15Å; V172-Y177 HydrophobicContact CG1-CD2 3.8Å; G173-Y177 WeakPolarHBondContact O-CB 3.47Å; G173-Y177 PolarHBondContact O-N 3.29Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 3.34Å; Y177-F180 WeakPolarHBondContact O-CB 3.4Å; Y177-F180 PolarHBondContact O-N 2.88Å; Y177-L181 HydrophobicContact CD1-CD1 3.88Å; Y177-L181 HydrophobicContact CD1-CG 4.28Å; Y177-L181 HydrophobicContact CE1-CD1 3.46Å; Y177-L181 VanDerWaalsContact CE1-CD1 3.46Å; Y177-L181 HydrophobicContact CE1-CG 4.06Å; Y177-L181 WeakPolarHBondContact O-CG 3.36Å; Y177-L181 PolarHBondContact O-N 3.4Å; Y177-M273 HydrophobicContact CE1-CG 4.02Å; Y177-M273 HydrophobicContact CE1-SD 4.1Å |
| 178 | R | 98.1 | Very high | 98.2 | Very high | 201 Ų | 201 | 38.5 Ų | 38.5 | 76% | 0.758 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -61.2 | -40.6 | 177.2 | -68 | -176.1 | 179.4 | 168.4 | 0.7 | 112.5 | N176 L181 H182 | N176-R178 VanDerWaalsContact C-N 3.35Å; N176-R178 PolarHBondContact O-N 2.88Å; R178-L181 PolarHBondContact O-N 3.35Å; R178-H182 PolarHBondContact O-CD2 2.94Å; R178-H182 PolarHBondContact O-N 2.97Å |
| 179 | L | 98.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71 | -36 | 179.4 | -70.9 | 159.5 | 0 | 0 | 0 | 111.7 | V97 T100 A101 I104 N176 Y177 H182 S183 | V97-L179 HydrophobicContact CG1-CD2 4.35Å; V97-L179 WeakPolarHBondContact CG1-O 3.49Å; T100-L179 HydrophobicContact CG2-CD1 3.73Å; T100-L179 HydrophobicContact CG2-CD2 4.05Å; A101-L179 HydrophobicContact CB-CB 4.02Å; I104-L179 HydrophobicContact CD1-CD1 3.31Å; I104-L179 HydrophobicContact CG1-CD1 4.47Å; N176-L179 PolarHBondContact O-N 2.96Å; Y177-L179 VanDerWaalsContact C-N 3.34Å; Y177-L179 PolarHBondContact O-N 3.34Å; L179-H182 PolarHBondContact O-N 3Å; L179-S183 VanDerWaalsContact O-CB 3.28Å; L179-S183 WeakPolarHBondContact O-CB 3.25Å; L179-S183 PolarHBondContact O-N 3.44Å |
| 180 | F | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | 168.8 | 162.5 | -99.5 | 0 | 0 | 0 | 111.3 | H163 L168 V172 N176 Y177 H182 S183 V184 L265 H269 | H163-F180 AromaticContact CE1-CZ 3.73Å; L168-F180 HydrophobicContact CD1-CB 4.43Å; L168-F180 HydrophobicContact CD1-CD2 4Å; V172-F180 HydrophobicContact CG1-CB 4.03Å; V172-F180 HydrophobicContact CG1-CD1 3.98Å; V172-F180 HydrophobicContact CG1-CG 4Å; V172-F180 HydrophobicContact CG2-CB 4.14Å; V172-F180 HydrophobicContact CG2-CD1 4.49Å; V172-F180 HydrophobicContact CG2-CD2 3.87Å; V172-F180 HydrophobicContact CG2-CE2 4.43Å; V172-F180 HydrophobicContact CG2-CG 3.9Å; N176-F180 PolarHBondContact O-N 2.98Å; Y177-F180 WeakPolarHBondContact O-CB 3.4Å; Y177-F180 PolarHBondContact O-N 2.88Å; F180-H182 PolarHBondContact O-N 3.47Å; F180-S183 WeakPolarHBondContact O-CB 3.43Å; F180-S183 PolarHBondContact O-N 2.95Å; F180-S183 VanDerWaalsContact O-N 3.12Å; F180-V184 HydrophobicContact CD2-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 4.48Å; F180-V184 HydrophobicContact CE2-CG2 3.83Å; F180-V184 HydrophobicContact CZ-CG2 3.94Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 3.39Å; F180-L265 HydrophobicContact CZ-CD2 4.34Å; F180-H269 AromaticContact CE1-CD2 3.7Å; F180-H269 AromaticContact CE1-CE1 3.64Å; F180-H269 AromaticContact CE1-NE2 3.41Å; F180-H269 WeakPolarHBondContact CE1-NE2 3.14Å; F180-H269 AromaticContact CZ-CD2 3.97Å; F180-H269 AromaticContact CZ-NE2 3.54Å |
| 181 | L | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.2 | -67.2 | -177.5 | 0 | 0 | 0 | 112.8 | Y177 R178 S183 V184 A185 H269 M273 | Y177-L181 HydrophobicContact CD1-CD1 3.88Å; Y177-L181 HydrophobicContact CD1-CG 4.28Å; Y177-L181 HydrophobicContact CE1-CD1 3.46Å; Y177-L181 VanDerWaalsContact CE1-CD1 3.46Å; Y177-L181 HydrophobicContact CE1-CG 4.06Å; Y177-L181 WeakPolarHBondContact O-CG 3.36Å; Y177-L181 PolarHBondContact O-N 3.4Å; R178-L181 PolarHBondContact O-N 3.35Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 3.31Å; L181-V184 PolarHBondContact O-N 3.49Å; L181-A185 WeakPolarHBondContact O-CB 3.27Å; L181-A185 PolarHBondContact O-N 2.87Å; L181-H269 HydrophobicContact CD2-CB 3.58Å; L181-M273 HydrophobicContact CD1-CE 3.71Å; L181-M273 HydrophobicContact CD1-SD 3.43Å; L181-M273 WeakPolarHBondContact CD1-SD 3.45Å |
| 182 | H | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 47.3 Ų | 47.3 | 53% | 0.528 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -33.4 | 174.2 | -69.5 | -57.5 | 0 | 0 | 0 | 111.9 | V97 R178 L179 F180 S186 | V97-H182 HydrophobicContact CG1-CB 3.61Å; R178-H182 PolarHBondContact O-CD2 2.94Å; R178-H182 PolarHBondContact O-N 2.97Å; L179-H182 PolarHBondContact O-N 3Å; F180-H182 PolarHBondContact O-N 3.47Å; H182-S186 VanDerWaalsContact O-CB 3.24Å; H182-S186 WeakPolarHBondContact O-CB 3.42Å; H182-S186 PolarHBondContact O-N 3.31Å; H182-S186 PolarHBondContact O-OG 3.02Å |
| 183 | S | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | H94 H98 L179 F180 L181 S186 A187 | H94-S183 PolarHBondContact CE1-O 3.44Å; H94-S183 VanDerWaalsContact CE1-O 3.23Å; H94-S183 PolarHBondContact ND1-O 3.11Å; H98-S183 PolarHBondContact ND1-OG 3.09Å; L179-S183 VanDerWaalsContact O-CB 3.28Å; L179-S183 WeakPolarHBondContact O-CB 3.25Å; L179-S183 PolarHBondContact O-N 3.44Å; F180-S183 WeakPolarHBondContact O-CB 3.43Å; F180-S183 PolarHBondContact O-N 2.95Å; F180-S183 VanDerWaalsContact O-N 3.12Å; L181-S183 VanDerWaalsContact C-N 3.27Å; L181-S183 PolarHBondContact O-N 3.31Å; S183-S186 PolarHBondContact O-OG 2.95Å; S183-A187 WeakPolarHBondContact O-CB 3.48Å; S183-A187 PolarHBondContact O-N 3Å; S183-A187 VanDerWaalsContact O-N 3.09Å |
| 184 | V | 98.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | F180 L181 A187 L188 L262 L265 L266 | F180-V184 HydrophobicContact CD2-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 4.48Å; F180-V184 HydrophobicContact CE2-CG2 3.83Å; F180-V184 HydrophobicContact CZ-CG2 3.94Å; F180-V184 WeakPolarHBondContact O-CG2 3.35Å; F180-V184 PolarHBondContact O-N 3.39Å; L181-V184 PolarHBondContact O-N 3.49Å; V184-A187 PolarHBondContact O-N 3.33Å; V184-L188 WeakPolarHBondContact O-CB 3.22Å; V184-L188 PolarHBondContact O-N 3.16Å; V184-L262 HydrophobicContact CG1-CD2 4.27Å; V184-L265 HydrophobicContact CG1-CD2 4.22Å; V184-L265 HydrophobicContact CG1-CG 4.45Å; V184-L265 HydrophobicContact CG2-CD2 3.93Å; V184-L266 HydrophobicContact CG1-CB 4.04Å; V184-L266 HydrophobicContact CG1-CD1 4.38Å |
| 185 | A | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L181 L188 L189 L266 | L181-A185 WeakPolarHBondContact O-CB 3.27Å; L181-A185 PolarHBondContact O-N 2.87Å; A185-L188 PolarHBondContact O-N 3.45Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 2.96Å; A185-L266 HydrophobicContact CB-CD1 4.43Å; A185-L266 HydrophobicContact CB-CD2 4.3Å |
| 186 | S | 98.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.2 | -35.3 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | H94 H182 S183 L189 G190 | H94-S186 PolarHBondContact ND1-OG 3.29Å; H182-S186 VanDerWaalsContact O-CB 3.24Å; H182-S186 WeakPolarHBondContact O-CB 3.42Å; H182-S186 PolarHBondContact O-N 3.31Å; H182-S186 PolarHBondContact O-OG 3.02Å; S183-S186 PolarHBondContact O-OG 2.95Å; S186-L189 PolarHBondContact O-N 3.35Å; S186-G190 PolarHBondContact O-N 3.32Å |
| 187 | A | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 44 Ų | 44 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | H94 S183 V184 L189 G190 V191 L262 | H94-A187 PolarHBondContact ND1-N 3.48Å; S183-A187 WeakPolarHBondContact O-CB 3.48Å; S183-A187 PolarHBondContact O-N 3Å; S183-A187 VanDerWaalsContact O-N 3.09Å; V184-A187 PolarHBondContact O-N 3.33Å; A187-L189 PolarHBondContact O-N 3.4Å; A187-G190 PolarHBondContact O-N 2.95Å; A187-V191 WeakPolarHBondContact O-CB 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.43Å; A187-V191 PolarHBondContact O-N 2.79Å; A187-L262 HydrophobicContact CB-CD1 3.77Å; A187-L262 HydrophobicContact CB-CD2 4.38Å |
| 188 | L | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 178.1 | -179.8 | 61.9 | 0 | 0 | 0 | 111.4 | V184 A185 L192 T259 L262 L266 | V184-L188 WeakPolarHBondContact O-CB 3.22Å; V184-L188 PolarHBondContact O-N 3.16Å; A185-L188 PolarHBondContact O-N 3.45Å; L188-L192 HydrophobicContact CD1-CD1 4.08Å; L188-L192 HydrophobicContact CD1-CG 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.94Å; L188-L192 VanDerWaalsContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 2.93Å; L188-T259 HydrophobicContact CD1-CG2 3.88Å; L188-L262 HydrophobicContact CB-CB 4.26Å; L188-L262 HydrophobicContact CD1-CB 4.13Å; L188-L266 HydrophobicContact CD2-CD2 3.66Å |
| 189 | L | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 35.2 Ų | 35.2 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 177 | -179.3 | 62.4 | 0 | 0 | 0 | 112.4 | I90 A185 S186 A187 L192 L193 | I90-L189 HydrophobicContact CD1-CD2 4.1Å; I90-L189 HydrophobicContact CD1-CG 4.12Å; I90-L189 HydrophobicContact CG1-CD2 4.14Å; I90-L189 HydrophobicContact CG2-CD2 4.39Å; I90-L189 HydrophobicContact CG2-CG 4.24Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 2.96Å; S186-L189 PolarHBondContact O-N 3.35Å; A187-L189 PolarHBondContact O-N 3.4Å; L189-L192 PolarHBondContact O-N 3.41Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 PolarHBondContact O-N 3.07Å |
| 190 | G | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S186 A187 L194 | S186-G190 PolarHBondContact O-N 3.32Å; A187-G190 PolarHBondContact O-N 2.95Å; G190-L194 WeakPolarHBondContact O-CB 3.46Å; G190-L194 PolarHBondContact O-N 3.32Å |
| 191 | V | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.4 | -42 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | F63 A187 L193 L194 V195 G255 T259 | F63-V191 HydrophobicContact CE2-CG2 4.27Å; A187-V191 WeakPolarHBondContact O-CB 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.43Å; A187-V191 PolarHBondContact O-N 2.79Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 2.89Å; V191-L194 PolarHBondContact O-N 2.86Å; V191-V195 HydrophobicContact CG1-CG2 4.35Å; V191-V195 WeakPolarHBondContact O-CG2 3.42Å; V191-V195 PolarHBondContact O-N 2.81Å; V191-G255 WeakPolarHBondContact CG1-O 3.27Å; V191-T259 WeakPolarHBondContact CG1-OG1 3.28Å |
| 192 | L | 98.5 | Very high | 98.2 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 44% | 0.44 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 175.5 | -82.4 | 169 | 0 | 0 | 0 | 111.7 | L188 L189 V195 L196 T259 | L188-L192 HydrophobicContact CD1-CD1 4.08Å; L188-L192 HydrophobicContact CD1-CG 4.25Å; L188-L192 HydrophobicContact CG-CD1 3.94Å; L188-L192 VanDerWaalsContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.37Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 2.93Å; L189-L192 PolarHBondContact O-N 3.41Å; L192-V195 PolarHBondContact O-N 3.35Å; L192-L196 PolarHBondContact O-N 3.36Å; L192-T259 HydrophobicContact CD2-CG2 3.5Å; L192-T259 HydrophobicContact CG-CG2 4.02Å |
| 193 | L | 97.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.5 | -39.1 | 177.8 | -174.3 | 63.5 | 0 | 0 | 0 | 111.9 | F86 M87 I90 L189 V191 L196 V197 | F86-L193 HydrophobicContact CD1-CD1 4.18Å; F86-L193 HydrophobicContact CD1-CD2 3.42Å; F86-L193 VanDerWaalsContact CD1-CD2 3.42Å; F86-L193 HydrophobicContact CD1-CG 4.45Å; F86-L193 HydrophobicContact CE1-CD1 3.93Å; F86-L193 HydrophobicContact CE1-CD2 3.5Å; F86-L193 VanDerWaalsContact CE1-CD2 3.5Å; F86-L193 HydrophobicContact CE1-CG 4.37Å; F86-L193 HydrophobicContact CG-CD2 4.41Å; M87-L193 HydrophobicContact CG-CD2 4.05Å; M87-L193 HydrophobicContact SD-CB 4.08Å; M87-L193 HydrophobicContact SD-CD2 3.34Å; M87-L193 WeakPolarHBondContact SD-CD2 3.34Å; M87-L193 HydrophobicContact SD-CG 3.44Å; M87-L193 WeakPolarHBondContact SD-CG 3.42Å; I90-L193 HydrophobicContact CD1-CD2 3.53Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 PolarHBondContact O-N 3.07Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 2.89Å; L193-L196 HydrophobicContact CD1-CD2 4.33Å; L193-L196 WeakPolarHBondContact O-CB 3.34Å; L193-L196 PolarHBondContact O-N 2.9Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.44Å |
| 194 | L | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 174.2 | -171 | 74.4 | 0 | 0 | 0 | 111.8 | F63 L71 M87 G190 V191 V197 A198 L251 | F63-L194 HydrophobicContact CB-CD2 3.76Å; F63-L194 HydrophobicContact CD1-CD2 3.33Å; F63-L194 HydrophobicContact CE1-CD2 4.04Å; F63-L194 HydrophobicContact CG-CD2 3.74Å; L71-L194 HydrophobicContact CD1-CD1 3.74Å; L71-L194 HydrophobicContact CD1-CG 4.34Å; M87-L194 HydrophobicContact CE-CB 4.16Å; M87-L194 HydrophobicContact CE-CD1 3.53Å; M87-L194 HydrophobicContact CE-CG 4.47Å; G190-L194 WeakPolarHBondContact O-CB 3.46Å; G190-L194 PolarHBondContact O-N 3.32Å; V191-L194 PolarHBondContact O-N 2.86Å; L194-V197 PolarHBondContact O-N 2.92Å; L194-A198 VanDerWaalsContact O-CB 3.25Å; L194-A198 WeakPolarHBondContact O-CB 3.29Å; L194-A198 PolarHBondContact O-N 3.5Å; L194-L251 HydrophobicContact CD2-CD2 4.22Å |
| 195 | V | 98.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.3 | 170.1 | 0 | 0 | 0 | 0 | 111 | V191 L192 A198 T199 L256 | V191-V195 HydrophobicContact CG1-CG2 4.35Å; V191-V195 WeakPolarHBondContact O-CG2 3.42Å; V191-V195 PolarHBondContact O-N 2.81Å; L192-V195 PolarHBondContact O-N 3.35Å; V195-A198 PolarHBondContact O-N 3.45Å; V195-T199 VanDerWaalsContact O-CB 3.25Å; V195-T199 WeakPolarHBondContact O-CB 3.44Å; V195-T199 PolarHBondContact O-N 3.39Å; V195-T199 PolarHBondContact O-OG1 3.47Å; V195-L256 HydrophobicContact CG1-CD2 4.1Å; V195-L256 HydrophobicContact CG1-CG 4.33Å |
| 196 | L | 98.3 | Very high | 97.5 | Very high | 117 Ų | 117 | 41.2 Ų | 41.2 | 61% | 0.613 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.7 | -49.2 | 175.4 | -178.9 | 66.5 | 0 | 0 | 0 | 111.5 | L192 L193 T199 Y200 | L192-L196 PolarHBondContact O-N 3.36Å; L193-L196 HydrophobicContact CD1-CD2 4.33Å; L193-L196 WeakPolarHBondContact O-CB 3.34Å; L193-L196 PolarHBondContact O-N 2.9Å; L196-T199 PolarHBondContact O-N 3.3Å; L196-Y200 WeakPolarHBondContact O-CB 3.44Å; L196-Y200 PolarHBondContact O-N 2.92Å |
| 197 | V | 97.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | L71 L75 L193 L194 T199 Y200 V201 | L71-V197 HydrophobicContact CB-CG1 3.86Å; L71-V197 HydrophobicContact CD1-CG1 4.32Å; L75-V197 HydrophobicContact CD1-CG1 4.49Å; L75-V197 HydrophobicContact CD2-CG1 4.17Å; L75-V197 HydrophobicContact CG-CG1 4.48Å; L193-V197 WeakPolarHBondContact O-CG2 3.41Å; L193-V197 PolarHBondContact O-N 3.44Å; L194-V197 PolarHBondContact O-N 2.92Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-T199 PolarHBondContact O-N 3.39Å; V197-Y200 PolarHBondContact O-N 2.91Å; V197-V201 WeakPolarHBondContact O-CG2 3.28Å; V197-V201 PolarHBondContact O-N 3.43Å |
| 198 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L71 L194 V195 V201 F202 I252 | L71-A198 HydrophobicContact CD1-CB 3.8Å; L71-A198 HydrophobicContact CD2-CB 4.45Å; L194-A198 VanDerWaalsContact O-CB 3.25Å; L194-A198 WeakPolarHBondContact O-CB 3.29Å; L194-A198 PolarHBondContact O-N 3.5Å; V195-A198 PolarHBondContact O-N 3.45Å; A198-V201 PolarHBondContact O-N 3.43Å; A198-F202 VanDerWaalsContact O-CB 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.26Å; A198-F202 PolarHBondContact O-N 3.05Å; A198-I252 HydrophobicContact CB-CD1 4.35Å; A198-I252 HydrophobicContact CB-CG1 3.78Å |
| 199 | T | 98.4 | Very high | 96.6 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 176.5 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | V195 L196 V197 F202 V203 | V195-T199 VanDerWaalsContact O-CB 3.25Å; V195-T199 WeakPolarHBondContact O-CB 3.44Å; V195-T199 PolarHBondContact O-N 3.39Å; V195-T199 PolarHBondContact O-OG1 3.47Å; L196-T199 PolarHBondContact O-N 3.3Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-T199 PolarHBondContact O-N 3.39Å; T199-F202 PolarHBondContact O-N 2.88Å; T199-V203 HydrophobicContact CG2-CG2 4.34Å; T199-V203 WeakPolarHBondContact O-CB 3.42Å; T199-V203 VanDerWaalsContact O-CG2 3.31Å; T199-V203 WeakPolarHBondContact O-CG2 3.3Å; T199-V203 PolarHBondContact O-N 3.34Å |
| 200 | Y | 97.4 | Very high | 96 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 173.8 | 172.4 | -98.5 | 0 | 0 | 0 | 111.7 | L75 P76 W79 L196 V197 F202 V203 E204 L212 | L75-Y200 HydrophobicContact CD2-CD1 3.62Å; L75-Y200 HydrophobicContact CD2-CE1 3.76Å; P76-Y200 HydrophobicContact CG-CE1 4.44Å; P76-Y200 WeakPolarHBondContact CG-OH 3.34Å; W79-Y200 HydrophobicContact CZ3-CE2 4.39Å; L196-Y200 WeakPolarHBondContact O-CB 3.44Å; L196-Y200 PolarHBondContact O-N 2.92Å; V197-Y200 PolarHBondContact O-N 2.91Å; Y200-F202 PolarHBondContact O-N 3.43Å; Y200-V203 PolarHBondContact O-N 3.5Å; Y200-E204 HydrophobicContact CD2-CG 3.99Å; Y200-E204 HydrophobicContact CE1-CG 4.17Å; Y200-E204 HydrophobicContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-OE1 3.23Å; Y200-E204 WeakPolarHBondContact CE2-OE1 3.46Å; Y200-E204 WeakPolarHBondContact O-CB 3.35Å; Y200-E204 WeakPolarHBondContact O-CG 3.35Å; Y200-E204 PolarHBondContact O-N 3.28Å; Y200-E204 PolarHBondContact OH-OE1 2.99Å; Y200-L212 HydrophobicContact CE1-CD2 4.26Å |
| 201 | V | 95.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L74 V197 A198 F205 L212 | L74-V201 HydrophobicContact CB-CG1 4.38Å; L74-V201 HydrophobicContact CB-CG2 4.29Å; L74-V201 HydrophobicContact CD1-CG1 3.98Å; V197-V201 WeakPolarHBondContact O-CG2 3.28Å; V197-V201 PolarHBondContact O-N 3.43Å; A198-V201 PolarHBondContact O-N 3.43Å; V201-F205 WeakPolarHBondContact O-CB 3.37Å; V201-F205 PolarHBondContact O-N 2.97Å; V201-F205 VanDerWaalsContact O-N 3.13Å; V201-L212 HydrophobicContact CG1-CD1 4.31Å; V201-L212 HydrophobicContact CG2-CD2 4.49Å |
| 202 | F | 97 | Very high | 95.2 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 28% | 0.281 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 178.9 | -173.6 | -91 | 0 | 0 | 0 | 112.3 | A198 T199 Y200 F205 F206 L245 A248 A249 I252 | A198-F202 VanDerWaalsContact O-CB 3.28Å; A198-F202 WeakPolarHBondContact O-CB 3.26Å; A198-F202 PolarHBondContact O-N 3.05Å; T199-F202 PolarHBondContact O-N 2.88Å; Y200-F202 PolarHBondContact O-N 3.43Å; F202-F205 WeakPolarHBondContact O-CB 3.5Å; F202-F206 HydrophobicContact CD1-CE2 4.11Å; F202-F206 HydrophobicContact CE1-CD2 4.36Å; F202-F206 AromaticContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE2-CE2 4.14Å; F202-F206 HydrophobicContact CG-CE2 4.49Å; F202-F206 AromaticContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CZ 4.32Å; F202-F206 WeakPolarHBondContact O-CD2 3.37Å; F202-L245 HydrophobicContact CD2-CD2 3.91Å; F202-L245 HydrophobicContact CE2-CD2 4.02Å; F202-A248 HydrophobicContact CB-CB 4.41Å; F202-A248 HydrophobicContact CD2-CB 4.15Å; F202-A249 HydrophobicContact CE2-CB 4.1Å; F202-I252 HydrophobicContact CB-CD1 3.98Å; F202-I252 HydrophobicContact CG-CD1 4.23Å |
| 203 | V | 97.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.7 | -47.4 | -179.8 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | T199 Y200 F205 F206 V207 | T199-V203 HydrophobicContact CG2-CG2 4.34Å; T199-V203 WeakPolarHBondContact O-CB 3.42Å; T199-V203 VanDerWaalsContact O-CG2 3.31Å; T199-V203 WeakPolarHBondContact O-CG2 3.3Å; T199-V203 PolarHBondContact O-N 3.34Å; Y200-V203 PolarHBondContact O-N 3.5Å; V203-F205 PolarHBondContact O-N 3.45Å; V203-F206 PolarHBondContact O-N 2.95Å; V203-V207 HydrophobicContact CG1-CG2 3.91Å; V203-V207 WeakPolarHBondContact O-CG2 3.21Å; V203-V207 PolarHBondContact O-N 3.46Å |
| 204 | E | 95.4 | Very high | 94 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -24.3 | 179.4 | -72.8 | -89.6 | -146.1 | 0 | 0 | 112.6 | Y200 F206 V207 N208 R211 L212 | Y200-E204 HydrophobicContact CD2-CG 3.99Å; Y200-E204 HydrophobicContact CE1-CG 4.17Å; Y200-E204 HydrophobicContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-CG 3.46Å; Y200-E204 VanDerWaalsContact CE2-OE1 3.23Å; Y200-E204 WeakPolarHBondContact CE2-OE1 3.46Å; Y200-E204 WeakPolarHBondContact O-CB 3.35Å; Y200-E204 WeakPolarHBondContact O-CG 3.35Å; Y200-E204 PolarHBondContact O-N 3.28Å; Y200-E204 PolarHBondContact OH-OE1 2.99Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 2.91Å; E204-V207 PolarHBondContact O-N 3.03Å; E204-N208 CarbonylContact O-C 3.02Å; E204-N208 WeakPolarHBondContact O-CA 3.27Å; E204-N208 PolarHBondContact O-N 3.47Å; E204-R211 WeakPolarHBondContact OE1-CD 3.43Å; E204-R211 IonicContact OE1-CZ 4Å; E204-R211 IonicContact OE1-NE 3.87Å; E204-R211 IonicContact OE1-NH1 2.7Å; E204-R211 PolarHBondContact OE1-NH1 3.38Å; E204-R211 WeakPolarHBondContact OE2-CD 3.16Å; E204-L212 HydrophobicContact CB-CD1 4.21Å; E204-L212 HydrophobicContact CB-CD2 3.89Å; E204-L212 HydrophobicContact CB-CG 4.09Å |
| 205 | F | 93.7 | Very high | 93.3 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 172.1 | -157.5 | -77.7 | 0 | 0 | 0 | 112.5 | V201 F202 V203 L212 W228 A241 L245 | V201-F205 WeakPolarHBondContact O-CB 3.37Å; V201-F205 PolarHBondContact O-N 2.97Å; V201-F205 VanDerWaalsContact O-N 3.13Å; F202-F205 WeakPolarHBondContact O-CB 3.5Å; V203-F205 PolarHBondContact O-N 3.45Å; F205-L212 HydrophobicContact CB-CD1 4.27Å; F205-L212 HydrophobicContact CD2-CD1 4.21Å; F205-W228 HydrophobicContact CD2-CH2 4.05Å; F205-W228 HydrophobicContact CD2-CZ2 4.04Å; F205-W228 HydrophobicContact CE2-CD2 4.12Å; F205-W228 AromaticContact CE2-CE2 3.49Å; F205-W228 VanDerWaalsContact CE2-CE2 3.49Å; F205-W228 HydrophobicContact CE2-CE3 4.46Å; F205-W228 AromaticContact CE2-CH2 3.7Å; F205-W228 HydrophobicContact CE2-CH2 3.7Å; F205-W228 AromaticContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ3 4.27Å; F205-W228 AromaticContact CE2-NE1 3.99Å; F205-W228 AromaticContact CZ-CE2 3.73Å; F205-W228 HydrophobicContact CZ-CH2 4.4Å; F205-W228 AromaticContact CZ-CZ2 3.58Å; F205-W228 HydrophobicContact CZ-CZ2 3.58Å; F205-W228 AromaticContact CZ-NE1 3.82Å; F205-A241 HydrophobicContact CE1-CB 4.25Å; F205-A241 HydrophobicContact CZ-CB 3.56Å; F205-L245 HydrophobicContact CB-CD2 3.82Å; F205-L245 HydrophobicContact CD1-CD1 3.76Å; F205-L245 HydrophobicContact CD1-CD2 3.74Å; F205-L245 HydrophobicContact CD1-CG 3.92Å; F205-L245 HydrophobicContact CD2-CD2 4.19Å; F205-L245 HydrophobicContact CD2-CG 4.4Å; F205-L245 HydrophobicContact CE1-CD1 3.77Å; F205-L245 HydrophobicContact CE1-CD2 4.43Å; F205-L245 HydrophobicContact CE1-CG 4.1Å; F205-L245 HydrophobicContact CG-CD1 4.44Å; F205-L245 HydrophobicContact CG-CD2 3.62Å; F205-L245 HydrophobicContact CG-CG 4.1Å; F205-L245 HydrophobicContact CZ-CD1 4.44Å; F205-L245 HydrophobicContact CZ-CG 4.43Å |
| 206 | F | 93.9 | Very high | 92.5 | Very high | 137 Ų | 137 | 64.2 Ų | 64.2 | 60% | 0.601 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -90.3 | -28.1 | 178 | -61.5 | -77.1 | 0 | 0 | 0 | 113.2 | F202 V203 E204 L245 | F202-F206 HydrophobicContact CD1-CE2 4.11Å; F202-F206 HydrophobicContact CE1-CD2 4.36Å; F202-F206 AromaticContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE1-CE2 3.71Å; F202-F206 HydrophobicContact CE2-CE2 4.14Å; F202-F206 HydrophobicContact CG-CE2 4.49Å; F202-F206 AromaticContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CE2 3.73Å; F202-F206 HydrophobicContact CZ-CZ 4.32Å; F202-F206 WeakPolarHBondContact O-CD2 3.37Å; V203-F206 PolarHBondContact O-N 2.95Å; E204-F206 VanDerWaalsContact C-N 3.26Å; E204-F206 PolarHBondContact O-N 2.91Å; F206-L245 HydrophobicContact CE1-CD1 4.3Å; F206-L245 HydrophobicContact CE2-CD2 3.71Å; F206-L245 HydrophobicContact CZ-CD1 3.84Å; F206-L245 HydrophobicContact CZ-CD2 3.82Å; F206-L245 HydrophobicContact CZ-CG 4.48Å |
| 207 | V | 95.4 | Very high | 91.6 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 65% | 0.648 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -85.1 | -51.1 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | V203 E204 | V203-V207 HydrophobicContact CG1-CG2 3.91Å; V203-V207 WeakPolarHBondContact O-CG2 3.21Å; V203-V207 PolarHBondContact O-N 3.46Å; E204-V207 PolarHBondContact O-N 3.03Å |
| 208 | N | 91.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | trans | -158.8 | 83.9 | -179.1 | -170.8 | -13.7 | 0 | 0 | 0 | 111.5 | E204 M210 R211 | E204-N208 CarbonylContact O-C 3.02Å; E204-N208 WeakPolarHBondContact O-CA 3.27Å; E204-N208 PolarHBondContact O-N 3.47Å; N208-M210 PolarHBondContact O-N 3.15Å; N208-M210 WeakPolarHBondContact OD1-CB 3.28Å; N208-M210 PolarHBondContact OD1-N 3.44Å; N208-R211 HydrophobicContact CB-CG 4.05Å; N208-R211 PolarHBondContact O-N 3.5Å | ||
| 209 | P | 89.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -61.3 | -18.2 | -176.7 | 23.1 | -33.6 | 0 | 0 | 0 | 113.7 | R211 L212 R213 W228 | P209-R211 PolarHBondContact O-N 2.78Å; P209-L212 PolarHBondContact O-N 3.45Å; P209-R213 PolarHBondContact O-N 3.29Å; P209-W228 HydrophobicContact CB-CH2 3.96Å; P209-W228 HydrophobicContact CB-CZ2 4.04Å |
| 210 | M | 86.9 | Confident | 88.8 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -66.7 | -23 | 174.9 | -61.9 | -55.9 | -60.7 | 0 | 0 | 113.3 | N208 L212 R213 | N208-M210 PolarHBondContact O-N 3.15Å; N208-M210 WeakPolarHBondContact OD1-CB 3.28Å; N208-M210 PolarHBondContact OD1-N 3.44Å; M210-L212 VanDerWaalsContact C-N 3.26Å; M210-L212 PolarHBondContact O-N 3.25Å; M210-R213 PolarHBondContact O-N 2.94Å |
| 211 | R | 89.8 | Confident | 87.6 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -70.4 | -24.6 | 174.6 | -58 | -166.9 | 82.5 | -161.7 | 10.3 | 113 | E204 N208 P209 T214 | E204-R211 WeakPolarHBondContact OE1-CD 3.43Å; E204-R211 IonicContact OE1-CZ 4Å; E204-R211 IonicContact OE1-NE 3.87Å; E204-R211 IonicContact OE1-NH1 2.7Å; E204-R211 PolarHBondContact OE1-NH1 3.38Å; E204-R211 WeakPolarHBondContact OE2-CD 3.16Å; N208-R211 HydrophobicContact CB-CG 4.05Å; N208-R211 PolarHBondContact O-N 3.5Å; P209-R211 PolarHBondContact O-N 2.78Å; R211-T214 VanDerWaalsContact O-CG2 3.27Å; R211-T214 WeakPolarHBondContact O-CG2 3.41Å |
| 212 | L | 90.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -32.3 | 175.8 | -52.2 | 178 | 0 | 0 | 0 | 111.3 | L74 Y200 V201 E204 F205 P209 M210 T214 W228 | L74-L212 WeakPolarHBondContact O-CA 3.19Å; L74-L212 WeakPolarHBondContact O-CD2 3.47Å; Y200-L212 HydrophobicContact CE1-CD2 4.26Å; V201-L212 HydrophobicContact CG1-CD1 4.31Å; V201-L212 HydrophobicContact CG2-CD2 4.49Å; E204-L212 HydrophobicContact CB-CD1 4.21Å; E204-L212 HydrophobicContact CB-CD2 3.89Å; E204-L212 HydrophobicContact CB-CG 4.09Å; F205-L212 HydrophobicContact CB-CD1 4.27Å; F205-L212 HydrophobicContact CD2-CD1 4.21Å; P209-L212 PolarHBondContact O-N 3.45Å; M210-L212 VanDerWaalsContact C-N 3.26Å; M210-L212 PolarHBondContact O-N 3.25Å; L212-T214 PolarHBondContact O-N 3.48Å; L212-W228 HydrophobicContact CB-CH2 4.12Å; L212-W228 HydrophobicContact CB-CZ3 3.81Å; L212-W228 HydrophobicContact CD1-CH2 4.32Å; L212-W228 HydrophobicContact CD1-CZ3 4.4Å |
| 213 | R | 87.6 | Confident | 85.3 | Confident | 19 Ų | 19 | 80 Ų | 80 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | trans | -83 | 40.2 | 179.5 | -61.9 | 175.8 | 84.1 | 99.6 | -6.3 | 113.6 | P209 M210 F218 H224 T225 V227 W228 | P209-R213 PolarHBondContact O-N 3.29Å; M210-R213 PolarHBondContact O-N 2.94Å; R213-F218 HydrophobicContact CB-CB 3.98Å; R213-F218 HydrophobicContact CB-CD1 4.19Å; R213-F218 HydrophobicContact CB-CD2 4.08Å; R213-F218 HydrophobicContact CB-CG 3.83Å; R213-F218 HydrophobicContact CG-CD1 3.98Å; R213-F218 HydrophobicContact CG-CE1 4.21Å; R213-F218 HydrophobicContact CG-CG 4.14Å; R213-H224 PolarHBondContact NH2-O 3.3Å; R213-T225 PolarHBondContact NH1-O 2.94Å; R213-V227 PolarHBondContact NH1-O 3.48Å; R213-V227 PolarHBondContact NH2-O 3.43Å; R213-W228 HydrophobicContact CG-CE3 4.18Å; R213-W228 HydrophobicContact CG-CH2 3.63Å; R213-W228 HydrophobicContact CG-CZ2 4.21Å; R213-W228 HydrophobicContact CG-CZ3 3.6Å | ||
| 214 | T | 84.6 | Confident | 84.3 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 37% | 0.368 | 40% | 0.396 | S | S | . | . | trans | -88.3 | -2.2 | -176.1 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | H77 R211 L212 | H77-T214 PolarHBondContact N-OG1 3.06Å; R211-T214 VanDerWaalsContact O-CG2 3.27Å; R211-T214 WeakPolarHBondContact O-CG2 3.41Å; L212-T214 PolarHBondContact O-N 3.48Å | ||
| 215 | N | 82.8 | Confident | 83.4 | Confident | 37 Ų | 37 | 85.7 Ų | 85.7 | 20% | 0.198 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -82.6 | 143.3 | 176.5 | -164.7 | -60.1 | 0 | 0 | 0 | 111.3 | H217 F218 L232 | N215-H217 PolarHBondContact O-N 3.48Å; N215-H217 PolarHBondContact OD1-N 3.29Å; N215-H217 PolarHBondContact OD1-ND1 2.81Å; N215-F218 HydrophobicContact CB-CD2 3.84Å; N215-F218 HydrophobicContact CB-CE2 4.03Å; N215-F218 WeakPolarHBondContact O-CB 3.27Å; N215-F218 PolarHBondContact O-N 2.75Å; N215-L232 HydrophobicContact CB-CD1 4.01Å |
| 216 | R | 82.1 | Confident | 82.7 | Confident | 220 Ų | 220 | 88 Ų | 88 | 83% | 0.83 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -51.6 | -30 | 178.7 | -67.6 | -176.2 | 178.7 | 180 | -1.2 | 114.3 | F218 E219 | R216-F218 PolarHBondContact O-N 3.04Å; R216-E219 PolarHBondContact O-N 2.91Å; R216-E219 VanDerWaalsContact O-N 3.15Å |
| 217 | H | 79.4 | Confident | 82.2 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 34% | 0.338 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -61.4 | -23.7 | 176.8 | -65.6 | 82 | 0 | 0 | 0 | 113.2 | N215 F229 L232 | N215-H217 PolarHBondContact O-N 3.48Å; N215-H217 PolarHBondContact OD1-N 3.29Å; N215-H217 PolarHBondContact OD1-ND1 2.81Å; H217-F229 HydrophobicContact CB-CD2 4Å; H217-F229 HydrophobicContact CB-CE2 4.24Å; H217-L232 HydrophobicContact CB-CD1 4.44Å; H217-L232 HydrophobicContact CB-CD2 4.16Å |
| 218 | F | 81 | Confident | 81.8 | Confident | 7 Ų | 7 | 77.6 Ų | 77.6 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -82.9 | -18.6 | 176.8 | -64.5 | -73.1 | 0 | 0 | 0 | 114.2 | R213 N215 R216 V220 L221 K222 W228 F229 L232 | R213-F218 HydrophobicContact CB-CB 3.98Å; R213-F218 HydrophobicContact CB-CD1 4.19Å; R213-F218 HydrophobicContact CB-CD2 4.08Å; R213-F218 HydrophobicContact CB-CG 3.83Å; R213-F218 HydrophobicContact CG-CD1 3.98Å; R213-F218 HydrophobicContact CG-CE1 4.21Å; R213-F218 HydrophobicContact CG-CG 4.14Å; N215-F218 HydrophobicContact CB-CD2 3.84Å; N215-F218 HydrophobicContact CB-CE2 4.03Å; N215-F218 WeakPolarHBondContact O-CB 3.27Å; N215-F218 PolarHBondContact O-N 2.75Å; R216-F218 PolarHBondContact O-N 3.04Å; F218-V220 VanDerWaalsContact C-N 3.25Å; F218-V220 PolarHBondContact O-N 2.81Å; F218-L221 CarbonylContact O-C 3.54Å; F218-L221 PolarHBondContact O-N 3.42Å; F218-L221 VanDerWaalsContact O-N 3.15Å; F218-K222 PolarHBondContact O-N 3.48Å; F218-W228 HydrophobicContact CE1-CE3 4.26Å; F218-W228 HydrophobicContact CZ-CE3 4.34Å; F218-F229 HydrophobicContact CD1-CD2 4.33Å; F218-F229 HydrophobicContact CE1-CB 4.33Å; F218-F229 HydrophobicContact CE1-CD2 4.18Å; F218-F229 HydrophobicContact CZ-CB 4.16Å; F218-L232 HydrophobicContact CE2-CD1 3.96Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å |
| 219 | E | 77.8 | Confident | 81.6 | Confident | 118 Ų | 118 | 75.5 Ų | 75.5 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.3 | 175.6 | -68.4 | -66.4 | 161.2 | 0 | 0 | 111.7 | R216 L221 K222 | R216-E219 PolarHBondContact O-N 2.91Å; R216-E219 VanDerWaalsContact O-N 3.15Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.45Å; E219-K222 IonicContact OE2-NZ 2.76Å; E219-K222 PolarHBondContact OE2-NZ 3.49Å |
| 220 | V | 76 | Confident | 81.5 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.5 | 175.3 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | F218 | F218-V220 VanDerWaalsContact C-N 3.25Å; F218-V220 PolarHBondContact O-N 2.81Å |
| 221 | L | 72.4 | Confident | 81.6 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 29 | -179.7 | -62.7 | -174.9 | 0 | 0 | 0 | 113 | F218 E219 N223 H224 V227 F229 | F218-L221 CarbonylContact O-C 3.54Å; F218-L221 PolarHBondContact O-N 3.42Å; F218-L221 VanDerWaalsContact O-N 3.15Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 3.45Å; L221-N223 PolarHBondContact O-N 3.46Å; L221-N223 VanDerWaalsContact O-N 3.13Å; L221-H224 HydrophobicContact CB-CB 4.47Å; L221-H224 HydrophobicContact CD2-CB 4.5Å; L221-H224 CarbonylContact O-C 3.53Å; L221-H224 PolarHBondContact O-N 2.88Å; L221-H224 VanDerWaalsContact O-O 3.11Å; L221-V227 HydrophobicContact CD1-CB 4.13Å; L221-V227 HydrophobicContact CD1-CG1 3.82Å; L221-F229 HydrophobicContact CD1-CD2 4.25Å; L221-F229 HydrophobicContact CD1-CE2 3.37Å; L221-F229 HydrophobicContact CD1-CZ 3.65Å; L221-F229 HydrophobicContact CG-CE2 4.08Å; L221-F229 HydrophobicContact CG-CZ 4.45Å |
| 222 | K | 69.9 | Low | 81.2 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27 | -178 | -158.7 | 167.1 | -160.8 | 145.5 | 0 | 113.8 | F218 E219 | F218-K222 PolarHBondContact O-N 3.48Å; E219-K222 IonicContact OE2-NZ 2.76Å; E219-K222 PolarHBondContact OE2-NZ 3.49Å |
| 223 | N | 74.3 | Confident | 80.7 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 80% | 0.797 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.4 | 178.1 | -60.8 | -9.1 | 0 | 0 | 0 | 113.6 | L221 | L221-N223 PolarHBondContact O-N 3.46Å; L221-N223 VanDerWaalsContact O-N 3.13Å |
| 224 | H | 76.9 | Confident | 80.5 | Confident | 109 Ų | 109 | 75 Ų | 75 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | trans | -121.3 | 88.2 | -177.6 | -66.4 | -77.4 | 0 | 0 | 0 | 109.9 | R213 L221 | R213-H224 PolarHBondContact NH2-O 3.3Å; L221-H224 HydrophobicContact CB-CB 4.47Å; L221-H224 HydrophobicContact CD2-CB 4.5Å; L221-H224 CarbonylContact O-C 3.53Å; L221-H224 PolarHBondContact O-N 2.88Å; L221-H224 VanDerWaalsContact O-O 3.11Å | ||
| 225 | T | 76.2 | Confident | 80.6 | Confident | 101 Ų | 101 | 74.7 Ų | 74.7 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | trans | -83.4 | -15.1 | -171.5 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | R213 W228 | R213-T225 PolarHBondContact NH1-O 2.94Å; T225-W228 PolarHBondContact O-NE1 3.41Å | ||
| 226 | D | 78.2 | Confident | 80.8 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -76.7 | -36.2 | 179.2 | 60.6 | -39.2 | 0 | 0 | 0 | 113.2 | W228 Q240 A241 | D226-W228 VanDerWaalsContact O-CD1 3.29Å; D226-Q240 PolarHBondContact O-OE1 2.87Å; D226-A241 PolarHBondContact O-N 3.39Å |
| 227 | V | 84.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 69 Ų | 69 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 137.3 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | R213 L221 E238 | R213-V227 PolarHBondContact NH1-O 3.48Å; R213-V227 PolarHBondContact NH2-O 3.43Å; L221-V227 HydrophobicContact CD1-CB 4.13Å; L221-V227 HydrophobicContact CD1-CG1 3.82Å; V227-E238 HydrophobicContact CG1-CB 4.4Å; V227-E238 HydrophobicContact CG1-CG 4.29Å |
| 228 | W | 87.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.015 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.6 | 176.2 | -68.8 | 70.8 | 0 | 0 | 0 | 111.4 | L74 F205 P209 L212 R213 F218 T225 D226 E238 T239 I244 | L74-W228 HydrophobicContact CD2-CE3 3.87Å; L74-W228 HydrophobicContact CD2-CZ3 4.04Å; F205-W228 HydrophobicContact CD2-CH2 4.05Å; F205-W228 HydrophobicContact CD2-CZ2 4.04Å; F205-W228 HydrophobicContact CE2-CD2 4.12Å; F205-W228 AromaticContact CE2-CE2 3.49Å; F205-W228 VanDerWaalsContact CE2-CE2 3.49Å; F205-W228 HydrophobicContact CE2-CE3 4.46Å; F205-W228 AromaticContact CE2-CH2 3.7Å; F205-W228 HydrophobicContact CE2-CH2 3.7Å; F205-W228 AromaticContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ2 3.28Å; F205-W228 HydrophobicContact CE2-CZ3 4.27Å; F205-W228 AromaticContact CE2-NE1 3.99Å; F205-W228 AromaticContact CZ-CE2 3.73Å; F205-W228 HydrophobicContact CZ-CH2 4.4Å; F205-W228 AromaticContact CZ-CZ2 3.58Å; F205-W228 HydrophobicContact CZ-CZ2 3.58Å; F205-W228 AromaticContact CZ-NE1 3.82Å; P209-W228 HydrophobicContact CB-CH2 3.96Å; P209-W228 HydrophobicContact CB-CZ2 4.04Å; L212-W228 HydrophobicContact CB-CH2 4.12Å; L212-W228 HydrophobicContact CB-CZ3 3.81Å; L212-W228 HydrophobicContact CD1-CH2 4.32Å; L212-W228 HydrophobicContact CD1-CZ3 4.4Å; R213-W228 HydrophobicContact CG-CE3 4.18Å; R213-W228 HydrophobicContact CG-CH2 3.63Å; R213-W228 HydrophobicContact CG-CZ2 4.21Å; R213-W228 HydrophobicContact CG-CZ3 3.6Å; F218-W228 HydrophobicContact CE1-CE3 4.26Å; F218-W228 HydrophobicContact CZ-CE3 4.34Å; T225-W228 PolarHBondContact O-NE1 3.41Å; D226-W228 VanDerWaalsContact O-CD1 3.29Å; W228-E238 CarbonylContact O-C 3.51Å; W228-E238 WeakPolarHBondContact O-CA 3.41Å; W228-T239 WeakPolarHBondContact CA-O 3.31Å; W228-T239 WeakPolarHBondContact CB-O 3.39Å; W228-T239 PolarHBondContact N-O 3.04Å; W228-T239 PolarHBondContact O-N 2.94Å; W228-I244 HydrophobicContact CB-CD1 3.4Å; W228-I244 HydrophobicContact CD2-CD1 4.09Å; W228-I244 HydrophobicContact CE3-CD1 4.22Å; W228-I244 HydrophobicContact CG-CD1 3.75Å |
| 229 | F | 86 | Confident | 82 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 11% | 0.114 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136 | 173.8 | -69.7 | -66.8 | 0 | 0 | 0 | 111.5 | H217 F218 L221 L232 P236 V237 E238 | H217-F229 HydrophobicContact CB-CD2 4Å; H217-F229 HydrophobicContact CB-CE2 4.24Å; F218-F229 HydrophobicContact CD1-CD2 4.33Å; F218-F229 HydrophobicContact CE1-CB 4.33Å; F218-F229 HydrophobicContact CE1-CD2 4.18Å; F218-F229 HydrophobicContact CZ-CB 4.16Å; L221-F229 HydrophobicContact CD1-CD2 4.25Å; L221-F229 HydrophobicContact CD1-CE2 3.37Å; L221-F229 HydrophobicContact CD1-CZ 3.65Å; L221-F229 HydrophobicContact CG-CE2 4.08Å; L221-F229 HydrophobicContact CG-CZ 4.45Å; F229-L232 HydrophobicContact CB-CD1 3.88Å; F229-L232 HydrophobicContact CB-CD2 4.01Å; F229-L232 HydrophobicContact CB-CG 3.97Å; F229-P236 HydrophobicContact CD1-CB 4.11Å; F229-V237 WeakPolarHBondContact CA-O 3.42Å; F229-E238 HydrophobicContact CD1-CG 4.05Å; F229-E238 HydrophobicContact CE1-CG 3.52Å; F229-E238 HydrophobicContact CZ-CG 4.37Å |
| 230 | V | 87.2 | Confident | 82.6 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 168.6 | 170.1 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | V70 L232 V237 I244 | V70-V230 HydrophobicContact CB-CG1 4.42Å; V70-V230 HydrophobicContact CG1-CG1 3.84Å; V70-V230 HydrophobicContact CG2-CB 4.17Å; V70-V230 HydrophobicContact CG2-CG1 4.21Å; V230-L232 PolarHBondContact O-N 3.38Å; V230-V237 HydrophobicContact CG2-CB 4.03Å; V230-V237 HydrophobicContact CG2-CG1 4.41Å; V230-V237 PolarHBondContact N-O 3.23Å; V230-V237 PolarHBondContact O-N 3.4Å; V230-I244 HydrophobicContact CG1-CD1 4.1Å; V230-I244 HydrophobicContact CG1-CG1 4.38Å |
| 231 | F | 88.7 | Confident | 83.2 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 58.8 | 26.1 | -174.6 | -58.7 | -78.5 | 0 | 0 | 0 | 115.1 | V65 G69 V70 A234 A235 V237 | V65-F231 HydrophobicContact CG1-CE1 3.95Å; V65-F231 HydrophobicContact CG1-CZ 4.09Å; G69-F231 WeakPolarHBondContact O-CA 3.36Å; G69-F231 PolarHBondContact O-N 3.37Å; V70-F231 HydrophobicContact CG2-CZ 4.43Å; F231-A234 PolarHBondContact O-N 3.14Å; F231-A235 HydrophobicContact CB-CB 4.48Å; F231-A235 VanDerWaalsContact CB-O 3.22Å; F231-A235 WeakPolarHBondContact CB-O 3.26Å; F231-A235 PolarHBondContact O-N 3.28Å; F231-V237 HydrophobicContact CD2-CB 4.45Å; F231-V237 HydrophobicContact CD2-CG2 4.31Å |
| 232 | L | 83 | Confident | 84.2 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 144.5 | 175.3 | -66 | 175.6 | 0 | 0 | 0 | 112.6 | P73 N215 H217 F218 F229 V230 P236 | P73-L232 HydrophobicContact CB-CB 4.25Å; N215-L232 HydrophobicContact CB-CD1 4.01Å; H217-L232 HydrophobicContact CB-CD1 4.44Å; H217-L232 HydrophobicContact CB-CD2 4.16Å; F218-L232 HydrophobicContact CE2-CD1 3.96Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å; F229-L232 HydrophobicContact CB-CD1 3.88Å; F229-L232 HydrophobicContact CB-CD2 4.01Å; F229-L232 HydrophobicContact CB-CG 3.97Å; V230-L232 PolarHBondContact O-N 3.38Å; L232-P236 HydrophobicContact CD2-CB 3.82Å |
| 233 | P | 78.6 | Confident | 85.3 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 66% | 0.656 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.6 | -0.7 | -9 | 36.9 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 234 | A | 83.3 | Confident | 86.1 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 80% | 0.802 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -36.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F231 | F231-A234 PolarHBondContact O-N 3.14Š|
| 235 | A | 86.6 | Confident | 87 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 44% | 0.438 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -154.3 | 81.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F231 V237 | F231-A235 HydrophobicContact CB-CB 4.48Å; F231-A235 VanDerWaalsContact CB-O 3.22Å; F231-A235 WeakPolarHBondContact CB-O 3.26Å; F231-A235 PolarHBondContact O-N 3.28Å; A235-V237 PolarHBondContact O-N 2.94Å |
| 236 | P | 86.9 | Confident | 87.9 | Confident | 68 Ų | 68 | 53.8 Ų | 53.8 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | trans | -56.4 | 115.1 | 179.7 | 22.1 | -32.5 | 0 | 0 | 0 | 111 | F229 L232 | F229-P236 HydrophobicContact CD1-CB 4.11Å; L232-P236 HydrophobicContact CD2-CB 3.82Å | ||
| 237 | V | 88.5 | Confident | 88.7 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.3 | 173 | 175 | 0 | 0 | 0 | 0 | 108.6 | F229 V230 F231 A235 | F229-V237 WeakPolarHBondContact CA-O 3.42Å; V230-V237 HydrophobicContact CG2-CB 4.03Å; V230-V237 HydrophobicContact CG2-CG1 4.41Å; V230-V237 PolarHBondContact N-O 3.23Å; V230-V237 PolarHBondContact O-N 3.4Å; F231-V237 HydrophobicContact CD2-CB 4.45Å; F231-V237 HydrophobicContact CD2-CG2 4.31Å; A235-V237 PolarHBondContact O-N 2.94Å |
| 238 | E | 88.8 | Confident | 89.3 | Confident | 138 Ų | 138 | 51.3 Ų | 51.3 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.2 | 173.9 | -69.3 | 177.8 | -167.2 | 0 | 0 | 110.7 | V227 W228 F229 | V227-E238 HydrophobicContact CG1-CB 4.4Å; V227-E238 HydrophobicContact CG1-CG 4.29Å; W228-E238 CarbonylContact O-C 3.51Å; W228-E238 WeakPolarHBondContact O-CA 3.41Å; F229-E238 HydrophobicContact CD1-CG 4.05Å; F229-E238 HydrophobicContact CE1-CG 3.52Å; F229-E238 HydrophobicContact CZ-CG 4.37Å |
| 239 | T | 90.3 | Very high | 89.8 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.202 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 144.1 | -176.2 | -65 | 0 | 0 | 0 | 0 | 109.5 | W228 A243 I244 | W228-T239 WeakPolarHBondContact CA-O 3.31Å; W228-T239 WeakPolarHBondContact CB-O 3.39Å; W228-T239 PolarHBondContact N-O 3.04Å; W228-T239 PolarHBondContact O-N 2.94Å; T239-A243 HydrophobicContact CG2-CB 3.82Å; T239-I244 HydrophobicContact CG2-CD1 4.36Å; T239-I244 HydrophobicContact CG2-CG1 3.81Å |
| 240 | Q | 89.9 | Confident | 90.3 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 144.1 | -179.8 | -66.4 | -63.5 | -30.4 | 0 | 0 | 111.6 | D226 P242 A243 I244 | D226-Q240 PolarHBondContact O-OE1 2.87Å; Q240-P242 VanDerWaalsContact C-CD 3.46Å; Q240-A243 WeakPolarHBondContact O-CB 3.39Å; Q240-A243 PolarHBondContact O-N 2.99Å; Q240-I244 PolarHBondContact O-N 2.79Å |
| 241 | A | 90.3 | Very high | 90.8 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -41.8 | -49.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | F205 D226 A243 I244 L245 | F205-A241 HydrophobicContact CE1-CB 4.25Å; F205-A241 HydrophobicContact CZ-CB 3.56Å; D226-A241 PolarHBondContact O-N 3.39Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 2.86Å; A241-I244 PolarHBondContact O-N 3.25Å; A241-L245 PolarHBondContact O-N 3.03Å |
| 242 | P | 92.6 | Very high | 91.3 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.7 | -27.5 | -179.3 | -21.8 | 35.2 | 0 | 0 | 0 | 114 | Q240 L245 A246 | Q240-P242 VanDerWaalsContact C-CD 3.46Å; P242-L245 PolarHBondContact O-N 3.29Å; P242-A246 VanDerWaalsContact O-CB 3.29Å; P242-A246 WeakPolarHBondContact O-CB 3.43Å; P242-A246 PolarHBondContact O-N 2.91Å |
| 243 | A | 92.8 | Very high | 92 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T239 Q240 A241 L247 | T239-A243 HydrophobicContact CG2-CB 3.82Å; Q240-A243 WeakPolarHBondContact O-CB 3.39Å; Q240-A243 PolarHBondContact O-N 2.99Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 2.86Å; A243-L247 WeakPolarHBondContact O-CB 3.21Å; A243-L247 PolarHBondContact O-N 3.45Å |
| 244 | I | 92.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | 173.7 | -64 | 176.7 | 0 | 0 | 0 | 110.3 | L74 W228 V230 T239 Q240 A241 L247 A248 | L74-I244 HydrophobicContact CD1-CD1 4.48Å; L74-I244 HydrophobicContact CD1-CG2 3.92Å; W228-I244 HydrophobicContact CB-CD1 3.4Å; W228-I244 HydrophobicContact CD2-CD1 4.09Å; W228-I244 HydrophobicContact CE3-CD1 4.22Å; W228-I244 HydrophobicContact CG-CD1 3.75Å; V230-I244 HydrophobicContact CG1-CD1 4.1Å; V230-I244 HydrophobicContact CG1-CG1 4.38Å; T239-I244 HydrophobicContact CG2-CD1 4.36Å; T239-I244 HydrophobicContact CG2-CG1 3.81Å; Q240-I244 PolarHBondContact O-N 2.79Å; A241-I244 PolarHBondContact O-N 3.25Å; I244-L247 PolarHBondContact O-N 2.84Å; I244-A248 WeakPolarHBondContact O-CB 3.27Å; I244-A248 PolarHBondContact O-N 3.26Å |
| 245 | L | 94.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 177 | -74.9 | 175.2 | 0 | 0 | 0 | 112.6 | F202 F205 F206 A241 P242 A248 A249 | F202-L245 HydrophobicContact CD2-CD2 3.91Å; F202-L245 HydrophobicContact CE2-CD2 4.02Å; F205-L245 HydrophobicContact CB-CD2 3.82Å; F205-L245 HydrophobicContact CD1-CD1 3.76Å; F205-L245 HydrophobicContact CD1-CD2 3.74Å; F205-L245 HydrophobicContact CD1-CG 3.92Å; F205-L245 HydrophobicContact CD2-CD2 4.19Å; F205-L245 HydrophobicContact CD2-CG 4.4Å; F205-L245 HydrophobicContact CE1-CD1 3.77Å; F205-L245 HydrophobicContact CE1-CD2 4.43Å; F205-L245 HydrophobicContact CE1-CG 4.1Å; F205-L245 HydrophobicContact CG-CD1 4.44Å; F205-L245 HydrophobicContact CG-CD2 3.62Å; F205-L245 HydrophobicContact CG-CG 4.1Å; F205-L245 HydrophobicContact CZ-CD1 4.44Å; F205-L245 HydrophobicContact CZ-CG 4.43Å; F206-L245 HydrophobicContact CE1-CD1 4.3Å; F206-L245 HydrophobicContact CE2-CD2 3.71Å; F206-L245 HydrophobicContact CZ-CD1 3.84Å; F206-L245 HydrophobicContact CZ-CD2 3.82Å; F206-L245 HydrophobicContact CZ-CG 4.48Å; A241-L245 PolarHBondContact O-N 3.03Å; P242-L245 PolarHBondContact O-N 3.29Å; L245-A248 PolarHBondContact O-N 2.89Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 2.9Å |
| 246 | A | 96.1 | Very high | 94.2 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | P242 A249 L250 | P242-A246 VanDerWaalsContact O-CB 3.29Å; P242-A246 WeakPolarHBondContact O-CB 3.43Å; P242-A246 PolarHBondContact O-N 2.91Å; A246-A249 PolarHBondContact O-N 3Å; A246-L250 WeakPolarHBondContact O-CB 3.49Å; A246-L250 PolarHBondContact O-N 2.75Å |
| 247 | L | 95.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.4 | 180 | 59.9 | 0 | 0 | 0 | 112.1 | F62 I66 V70 A243 I244 L250 L251 | F62-L247 HydrophobicContact CZ-CD1 4.48Å; I66-L247 HydrophobicContact CD1-CD1 4.31Å; I66-L247 HydrophobicContact CD1-CD2 4.29Å; I66-L247 HydrophobicContact CG1-CD1 4.3Å; I66-L247 HydrophobicContact CG2-CD1 4.1Å; I66-L247 HydrophobicContact CG2-CD2 3.74Å; I66-L247 HydrophobicContact CG2-CG 3.89Å; V70-L247 HydrophobicContact CG1-CD2 4.31Å; V70-L247 HydrophobicContact CG2-CD2 4.18Å; A243-L247 WeakPolarHBondContact O-CB 3.21Å; A243-L247 PolarHBondContact O-N 3.45Å; I244-L247 PolarHBondContact O-N 2.84Å; L247-L250 PolarHBondContact O-N 3Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 2.74Å |
| 248 | A | 96.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F202 I244 L245 L251 I252 | F202-A248 HydrophobicContact CB-CB 4.41Å; F202-A248 HydrophobicContact CD2-CB 4.15Å; I244-A248 WeakPolarHBondContact O-CB 3.27Å; I244-A248 PolarHBondContact O-N 3.26Å; L245-A248 PolarHBondContact O-N 2.89Å; A248-L251 WeakPolarHBondContact O-CB 3.16Å; A248-L251 PolarHBondContact O-N 3.09Å; A248-I252 WeakPolarHBondContact O-CD1 3.25Å; A248-I252 VanDerWaalsContact O-CG1 3.24Å; A248-I252 WeakPolarHBondContact O-CG1 3.4Å; A248-I252 PolarHBondContact O-N 3.33Å |
| 249 | A | 97.5 | Very high | 95.6 | Very high | 43 Ų | 43 | 48.2 Ų | 48.2 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F202 L245 A246 I252 L253 | F202-A249 HydrophobicContact CE2-CB 4.1Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 2.9Å; A246-A249 PolarHBondContact O-N 3Å; A249-I252 PolarHBondContact O-N 3.24Å; A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 PolarHBondContact O-N 3.14Å |
| 250 | L | 97.3 | Very high | 96 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.7 | 178 | 62.5 | 0 | 0 | 0 | 111.7 | A246 L247 L253 L254 | A246-L250 WeakPolarHBondContact O-CB 3.49Å; A246-L250 PolarHBondContact O-N 2.75Å; L247-L250 PolarHBondContact O-N 3Å; L250-L253 PolarHBondContact O-N 3.02Å; L250-L254 VanDerWaalsContact O-CB 3.29Å; L250-L254 WeakPolarHBondContact O-CB 3.25Å; L250-L254 PolarHBondContact O-N 2.98Å |
| 251 | L | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.4 | -85.5 | 174.3 | 0 | 0 | 0 | 112.8 | F62 F63 I66 L71 L194 L247 A248 G255 | F62-L251 HydrophobicContact CD1-CD2 4.41Å; F62-L251 HydrophobicContact CE1-CD2 3.6Å; F62-L251 HydrophobicContact CE1-CG 4.47Å; F62-L251 HydrophobicContact CZ-CD2 4.06Å; F63-L251 HydrophobicContact CD1-CD2 3.66Å; F63-L251 HydrophobicContact CE1-CD2 3.9Å; I66-L251 HydrophobicContact CB-CD1 4.03Å; I66-L251 HydrophobicContact CG2-CD1 3.38Å; I66-L251 HydrophobicContact CG2-CG 4.37Å; L71-L251 HydrophobicContact CD1-CD1 4.04Å; L71-L251 HydrophobicContact CD2-CD1 4.35Å; L71-L251 HydrophobicContact CG-CD1 4.32Å; L194-L251 HydrophobicContact CD2-CD2 4.22Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 2.74Å; A248-L251 WeakPolarHBondContact O-CB 3.16Å; A248-L251 PolarHBondContact O-N 3.09Å; L251-G255 WeakPolarHBondContact O-CA 3.37Å; L251-G255 PolarHBondContact O-N 3.13Å |
| 252 | I | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -48 | 176.9 | -69.2 | 162.2 | 0 | 0 | 0 | 109.4 | A198 F202 A248 A249 G255 L256 | A198-I252 HydrophobicContact CB-CD1 4.35Å; A198-I252 HydrophobicContact CB-CG1 3.78Å; F202-I252 HydrophobicContact CB-CD1 3.98Å; F202-I252 HydrophobicContact CG-CD1 4.23Å; A248-I252 WeakPolarHBondContact O-CD1 3.25Å; A248-I252 VanDerWaalsContact O-CG1 3.24Å; A248-I252 WeakPolarHBondContact O-CG1 3.4Å; A248-I252 PolarHBondContact O-N 3.33Å; A249-I252 PolarHBondContact O-N 3.24Å; I252-G255 PolarHBondContact O-N 3.12Å; I252-L256 HydrophobicContact CG2-CD1 3.74Å; I252-L256 HydrophobicContact CG2-CG 4.29Å; I252-L256 VanDerWaalsContact O-CB 3.32Å; I252-L256 WeakPolarHBondContact O-CB 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.49Å; I252-L256 PolarHBondContact O-N 3.29Å |
| 253 | L | 98.4 | Very high | 97 | Very high | 124 Ų | 124 | 47.9 Ų | 47.9 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.3 | -50.5 | 178.5 | 179.9 | 62.7 | 0 | 0 | 0 | 112.4 | A249 L250 G255 L256 L257 | A249-L253 WeakPolarHBondContact O-CB 3.38Å; A249-L253 PolarHBondContact O-N 3.14Å; L250-L253 PolarHBondContact O-N 3.02Å; L253-G255 VanDerWaalsContact C-N 3.34Å; L253-G255 PolarHBondContact O-N 3.45Å; L253-L256 PolarHBondContact O-N 2.94Å; L253-L257 WeakPolarHBondContact O-CB 3.27Å; L253-L257 PolarHBondContact O-N 3.38Å |
| 254 | L | 98 | Very high | 97.3 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.4 | -36.1 | -179.6 | -175 | 64.1 | 0 | 0 | 0 | 112 | L59 F62 F63 L250 S258 | L59-L254 HydrophobicContact CD2-CD2 3.97Å; F62-L254 HydrophobicContact CD1-CD2 4.25Å; F62-L254 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CD2 3.9Å; F63-L254 HydrophobicContact CE1-CG 4.19Å; F63-L254 HydrophobicContact CZ-CD2 3.87Å; F63-L254 HydrophobicContact CZ-CG 3.87Å; L250-L254 VanDerWaalsContact O-CB 3.29Å; L250-L254 WeakPolarHBondContact O-CB 3.25Å; L250-L254 PolarHBondContact O-N 2.98Å; L254-S258 VanDerWaalsContact O-CB 3.26Å; L254-S258 WeakPolarHBondContact O-CB 3.42Å; L254-S258 PolarHBondContact O-N 2.97Å; L254-S258 PolarHBondContact O-OG 3.41Å |
| 255 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.6 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V191 L251 I252 L253 S258 T259 | V191-G255 WeakPolarHBondContact CG1-O 3.27Å; L251-G255 WeakPolarHBondContact O-CA 3.37Å; L251-G255 PolarHBondContact O-N 3.13Å; I252-G255 PolarHBondContact O-N 3.12Å; L253-G255 VanDerWaalsContact C-N 3.34Å; L253-G255 PolarHBondContact O-N 3.45Å; G255-S258 PolarHBondContact O-N 3.21Å; G255-T259 VanDerWaalsContact O-CB 3.26Å; G255-T259 WeakPolarHBondContact O-CB 3.4Å; G255-T259 PolarHBondContact O-N 3.47Å; G255-T259 PolarHBondContact O-OG1 3.31Å |
| 256 | L | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 173.2 | -73.5 | 171.5 | 0 | 0 | 0 | 111.5 | V195 I252 L253 T259 A260 | V195-L256 HydrophobicContact CG1-CD2 4.1Å; V195-L256 HydrophobicContact CG1-CG 4.33Å; I252-L256 HydrophobicContact CG2-CD1 3.74Å; I252-L256 HydrophobicContact CG2-CG 4.29Å; I252-L256 VanDerWaalsContact O-CB 3.32Å; I252-L256 WeakPolarHBondContact O-CB 3.26Å; I252-L256 WeakPolarHBondContact O-CG 3.49Å; I252-L256 PolarHBondContact O-N 3.29Å; L253-L256 PolarHBondContact O-N 2.94Å; L256-T259 WeakPolarHBondContact O-CB 3.49Å; L256-T259 PolarHBondContact O-N 2.95Å; L256-A260 PolarHBondContact O-N 2.96Å |
| 257 | L | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 55.5 Ų | 55.5 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 173.9 | 177.5 | 61.2 | 0 | 0 | 0 | 111.4 | L253 T259 A260 L261 | L253-L257 WeakPolarHBondContact O-CB 3.27Å; L253-L257 PolarHBondContact O-N 3.38Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.4Å; L257-A260 PolarHBondContact O-N 3.4Å; L257-L261 HydrophobicContact CD1-CD1 4.06Å; L257-L261 HydrophobicContact CD1-CG 4.3Å; L257-L261 HydrophobicContact CG-CD1 4.1Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 2.93Å |
| 258 | S | 97.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 56 Ų | 56 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | L254 G255 L261 L262 | L254-S258 VanDerWaalsContact O-CB 3.26Å; L254-S258 WeakPolarHBondContact O-CB 3.42Å; L254-S258 PolarHBondContact O-N 2.97Å; L254-S258 PolarHBondContact O-OG 3.41Å; G255-S258 PolarHBondContact O-N 3.21Å; S258-L261 PolarHBondContact O-N 2.98Å; S258-L262 VanDerWaalsContact O-CB 3.28Å; S258-L262 WeakPolarHBondContact O-CB 3.39Å; S258-L262 VanDerWaalsContact O-CG 3.27Å; S258-L262 WeakPolarHBondContact O-CG 3.29Å; S258-L262 PolarHBondContact O-N 3.07Å |
| 259 | T | 98.2 | Very high | 98.1 | Very high | 25 Ų | 25 | 56 Ų | 56 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 174.8 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | L188 V191 L192 G255 L256 L257 G263 | L188-T259 HydrophobicContact CD1-CG2 3.88Å; V191-T259 WeakPolarHBondContact CG1-OG1 3.28Å; L192-T259 HydrophobicContact CD2-CG2 3.5Å; L192-T259 HydrophobicContact CG-CG2 4.02Å; G255-T259 VanDerWaalsContact O-CB 3.26Å; G255-T259 WeakPolarHBondContact O-CB 3.4Å; G255-T259 PolarHBondContact O-N 3.47Å; G255-T259 PolarHBondContact O-OG1 3.31Å; L256-T259 WeakPolarHBondContact O-CB 3.49Å; L256-T259 PolarHBondContact O-N 2.95Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.4Å; T259-G263 WeakPolarHBondContact O-CA 3.34Å; T259-G263 PolarHBondContact O-N 3.45Å |
| 260 | A | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 53% | 0.529 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L256 L257 H264 | L256-A260 PolarHBondContact O-N 2.96Å; L257-A260 PolarHBondContact O-N 3.4Å; A260-H264 VanDerWaalsContact O-CB 3.27Å; A260-H264 WeakPolarHBondContact O-CB 3.5Å; A260-H264 PolarHBondContact O-N 3.19Å |
| 261 | L | 97.9 | Very high | 98.2 | Very high | 113 Ų | 113 | 58.3 Ų | 58.3 | 59% | 0.592 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 179.8 | -67.4 | 172.5 | 0 | 0 | 0 | 112.5 | L257 S258 L265 | L257-L261 HydrophobicContact CD1-CD1 4.06Å; L257-L261 HydrophobicContact CD1-CG 4.3Å; L257-L261 HydrophobicContact CG-CD1 4.1Å; L257-L261 WeakPolarHBondContact O-CG 3.48Å; L257-L261 PolarHBondContact O-N 2.93Å; S258-L261 PolarHBondContact O-N 2.98Å; L261-L265 WeakPolarHBondContact O-CB 3.44Å; L261-L265 PolarHBondContact O-N 3.47Å |
| 262 | L | 98.3 | Very high | 98.2 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 177.9 | -69.9 | 169.9 | 0 | 0 | 0 | 111.9 | V184 A187 L188 S258 L265 L266 | V184-L262 HydrophobicContact CG1-CD2 4.27Å; A187-L262 HydrophobicContact CB-CD1 3.77Å; A187-L262 HydrophobicContact CB-CD2 4.38Å; L188-L262 HydrophobicContact CB-CB 4.26Å; L188-L262 HydrophobicContact CD1-CB 4.13Å; S258-L262 VanDerWaalsContact O-CB 3.28Å; S258-L262 WeakPolarHBondContact O-CB 3.39Å; S258-L262 VanDerWaalsContact O-CG 3.27Å; S258-L262 WeakPolarHBondContact O-CG 3.29Å; S258-L262 PolarHBondContact O-N 3.07Å; L262-L265 PolarHBondContact O-N 3.3Å; L262-L266 VanDerWaalsContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.17Å; L262-L266 PolarHBondContact O-N 2.68Å |
| 263 | G | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T259 L265 L266 C267 | T259-G263 WeakPolarHBondContact O-CA 3.34Å; T259-G263 PolarHBondContact O-N 3.45Å; G263-L265 PolarHBondContact O-N 3.45Å; G263-L266 PolarHBondContact O-N 2.87Å; G263-C267 WeakPolarHBondContact O-CB 3.35Å; G263-C267 PolarHBondContact O-N 3.4Å; G263-C267 PolarHBondContact O-SG 3.04Å |
| 264 | H | 98.5 | Very high | 98.1 | Very high | 143 Ų | 143 | 64.1 Ų | 64.1 | 66% | 0.662 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.4 | -46.3 | 174.6 | 179.6 | -95.1 | 0 | 0 | 0 | 111.9 | A260 L266 C267 F268 | A260-H264 VanDerWaalsContact O-CB 3.27Å; A260-H264 WeakPolarHBondContact O-CB 3.5Å; A260-H264 PolarHBondContact O-N 3.19Å; H264-L266 PolarHBondContact O-N 2.72Å; H264-C267 PolarHBondContact O-N 2.8Å; H264-F268 WeakPolarHBondContact O-CB 3.44Å; H264-F268 PolarHBondContact O-N 2.84Å |
| 265 | L | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 66.4 Ų | 66.4 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.2 | -179.8 | 63.9 | 0 | 0 | 0 | 111.9 | F180 V184 L261 L262 G263 F268 H269 | F180-L265 HydrophobicContact CZ-CD2 4.34Å; V184-L265 HydrophobicContact CG1-CD2 4.22Å; V184-L265 HydrophobicContact CG1-CG 4.45Å; V184-L265 HydrophobicContact CG2-CD2 3.93Å; L261-L265 WeakPolarHBondContact O-CB 3.44Å; L261-L265 PolarHBondContact O-N 3.47Å; L262-L265 PolarHBondContact O-N 3.3Å; G263-L265 PolarHBondContact O-N 3.45Å; L265-F268 PolarHBondContact O-N 2.98Å; L265-H269 PolarHBondContact O-CD2 3.32Å; L265-H269 VanDerWaalsContact O-CD2 3.29Å; L265-H269 PolarHBondContact O-N 2.93Å |
| 266 | L | 98.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 74.6 Ų | 74.6 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 179.6 | -174.7 | 61.3 | 0 | 0 | 0 | 111.6 | V184 A185 L188 L262 G263 H264 F268 H269 I270 | V184-L266 HydrophobicContact CG1-CB 4.04Å; V184-L266 HydrophobicContact CG1-CD1 4.38Å; A185-L266 HydrophobicContact CB-CD1 4.43Å; A185-L266 HydrophobicContact CB-CD2 4.3Å; L188-L266 HydrophobicContact CD2-CD2 3.66Å; L262-L266 VanDerWaalsContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.17Å; L262-L266 PolarHBondContact O-N 2.68Å; G263-L266 PolarHBondContact O-N 2.87Å; H264-L266 PolarHBondContact O-N 2.72Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.48Å; L266-H269 PolarHBondContact O-N 2.83Å; L266-I270 HydrophobicContact CD1-CD1 4.42Å; L266-I270 HydrophobicContact CG-CD1 3.99Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 3.4Å |
| 267 | C | 98.5 | Very high | 97.7 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 55% | 0.554 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 175.5 | -72.6 | 0 | 0 | 0 | 0 | 112 | G263 H264 I270 Y271 | G263-C267 WeakPolarHBondContact O-CB 3.35Å; G263-C267 PolarHBondContact O-N 3.4Å; G263-C267 PolarHBondContact O-SG 3.04Å; H264-C267 PolarHBondContact O-N 2.8Å; C267-I270 PolarHBondContact O-N 3.15Å; C267-Y271 PolarHBondContact O-N 2.91Å |
| 268 | F | 98.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 68 Ų | 68 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 175.3 | 176.6 | -111 | 0 | 0 | 0 | 112 | H264 L265 L266 I270 Y271 L272 T279 Y282 | H264-F268 WeakPolarHBondContact O-CB 3.44Å; H264-F268 PolarHBondContact O-N 2.84Å; L265-F268 PolarHBondContact O-N 2.98Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.48Å; F268-I270 PolarHBondContact O-N 3.22Å; F268-Y271 WeakPolarHBondContact O-CB 3.23Å; F268-Y271 PolarHBondContact O-N 3.36Å; F268-L272 HydrophobicContact CD1-CD1 4.06Å; F268-L272 HydrophobicContact CE1-CD1 3.52Å; F268-L272 HydrophobicContact CE1-CG 4.23Å; F268-L272 HydrophobicContact CE2-CD1 4.45Å; F268-L272 HydrophobicContact CE2-CD2 4.35Å; F268-L272 HydrophobicContact CE2-CG 4.32Å; F268-L272 HydrophobicContact CZ-CD1 3.75Å; F268-L272 HydrophobicContact CZ-CD2 4.14Å; F268-L272 HydrophobicContact CZ-CG 4.07Å; F268-L272 WeakPolarHBondContact O-CG 3.46Å; F268-L272 PolarHBondContact O-N 2.88Å; F268-T279 HydrophobicContact CE1-CG2 4.03Å; F268-T279 HydrophobicContact CZ-CG2 4.44Å; F268-Y282 HydrophobicContact CE2-CD1 4.03Å; F268-Y282 AromaticContact CE2-CE1 3.84Å; F268-Y282 HydrophobicContact CE2-CE1 3.84Å; F268-Y282 AromaticContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CE1 4.07Å; F268-Y282 HydrophobicContact CZ-CG 4.47Å |
| 269 | H | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.4 | -32.9 | 175.4 | -81.3 | -75.8 | 0 | 0 | 0 | 113.6 | D162 F180 L181 L265 L266 Y271 L272 M273 T279 | D162-H269 IonicContact OD2-CE1 3.85Å; D162-H269 PolarHBondContact OD2-CE1 3.47Å; F180-H269 AromaticContact CE1-CD2 3.7Å; F180-H269 AromaticContact CE1-CE1 3.64Å; F180-H269 AromaticContact CE1-NE2 3.41Å; F180-H269 WeakPolarHBondContact CE1-NE2 3.14Å; F180-H269 AromaticContact CZ-CD2 3.97Å; F180-H269 AromaticContact CZ-NE2 3.54Å; L181-H269 HydrophobicContact CD2-CB 3.58Å; L265-H269 PolarHBondContact O-CD2 3.32Å; L265-H269 VanDerWaalsContact O-CD2 3.29Å; L265-H269 PolarHBondContact O-N 2.93Å; L266-H269 PolarHBondContact O-N 2.83Å; H269-Y271 VanDerWaalsContact C-N 3.35Å; H269-L272 PolarHBondContact O-N 3.31Å; H269-M273 WeakPolarHBondContact O-CG 3.41Å; H269-M273 PolarHBondContact O-N 2.79Å; H269-T279 PolarHBondContact CE1-OG1 3.47Å |
| 270 | I | 98.1 | Very high | 97.4 | Very high | 86 Ų | 86 | 68.4 Ų | 68.4 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 171.6 | -70.6 | 165.1 | 0 | 0 | 0 | 110.6 | L266 C267 F268 M273 W274 | L266-I270 HydrophobicContact CD1-CD1 4.42Å; L266-I270 HydrophobicContact CG-CD1 3.99Å; L266-I270 VanDerWaalsContact O-CG1 3.29Å; L266-I270 WeakPolarHBondContact O-CG1 3.44Å; L266-I270 PolarHBondContact O-N 3.4Å; C267-I270 PolarHBondContact O-N 3.15Å; F268-I270 PolarHBondContact O-N 3.22Å; I270-M273 HydrophobicContact CB-CE 4.45Å; I270-M273 HydrophobicContact CG1-CE 3.97Å; I270-M273 PolarHBondContact O-N 3.29Å; I270-W274 PolarHBondContact O-N 3.06Å |
| 271 | Y | 98.1 | Very high | 97.2 | Very high | 100 Ų | 100 | 68.5 Ų | 68.5 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.8 | -47.2 | 173.2 | 169.1 | -92.9 | 0 | 0 | 0 | 112 | C267 F268 H269 M273 W274 H275 Y282 | C267-Y271 PolarHBondContact O-N 2.91Å; F268-Y271 WeakPolarHBondContact O-CB 3.23Å; F268-Y271 PolarHBondContact O-N 3.36Å; H269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-M273 PolarHBondContact O-N 2.95Å; Y271-W274 WeakPolarHBondContact O-CB 3.41Å; Y271-W274 PolarHBondContact O-N 3.5Å; Y271-H275 AromaticContact CD2-CD2 3.63Å; Y271-H275 AromaticContact CD2-NE2 3.88Å; Y271-H275 AromaticContact CE2-CD2 3.28Å; Y271-H275 WeakPolarHBondContact CE2-CD2 3.49Å; Y271-H275 AromaticContact CE2-NE2 3.27Å; Y271-H275 VanDerWaalsContact CE2-NE2 3.27Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.31Å; Y271-H275 AromaticContact CZ-CD2 3.57Å; Y271-H275 AromaticContact CZ-NE2 3.81Å; Y271-H275 PolarHBondContact O-CD2 3.48Å; Y271-H275 PolarHBondContact O-N 2.93Å; Y271-Y282 HydrophobicContact CE1-CD2 4.22Å; Y271-Y282 AromaticContact CE1-CE2 3.92Å; Y271-Y282 HydrophobicContact CE1-CE2 3.92Å |
| 272 | L | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 176.1 | -69.6 | 177.6 | 0 | 0 | 0 | 112.6 | F268 H269 W274 H275 K276 L277 T279 Y282 | F268-L272 HydrophobicContact CD1-CD1 4.06Å; F268-L272 HydrophobicContact CE1-CD1 3.52Å; F268-L272 HydrophobicContact CE1-CG 4.23Å; F268-L272 HydrophobicContact CE2-CD1 4.45Å; F268-L272 HydrophobicContact CE2-CD2 4.35Å; F268-L272 HydrophobicContact CE2-CG 4.32Å; F268-L272 HydrophobicContact CZ-CD1 3.75Å; F268-L272 HydrophobicContact CZ-CD2 4.14Å; F268-L272 HydrophobicContact CZ-CG 4.07Å; F268-L272 WeakPolarHBondContact O-CG 3.46Å; F268-L272 PolarHBondContact O-N 2.88Å; H269-L272 PolarHBondContact O-N 3.31Å; L272-W274 VanDerWaalsContact C-N 3.31Å; L272-W274 PolarHBondContact O-N 3.41Å; L272-H275 CarbonylContact O-C 3.49Å; L272-H275 PolarHBondContact O-N 2.93Å; L272-K276 PolarHBondContact O-N 3.2Å; L272-L277 HydrophobicContact CD2-CB 4.18Å; L272-L277 PolarHBondContact O-N 2.78Å; L272-L277 VanDerWaalsContact O-N 3.12Å; L272-T279 VanDerWaalsContact CD1-OG1 3.23Å; L272-T279 WeakPolarHBondContact CD1-OG1 3.2Å; L272-Y282 HydrophobicContact CD2-CD2 4.12Å; L272-Y282 HydrophobicContact CD2-CG 3.89Å |
| 273 | M | 96.3 | Very high | 96.9 | Very high | 72 Ų | 72 | 68.4 Ų | 68.4 | 36% | 0.355 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -32.3 | 176.2 | -74.4 | -169.6 | -66.6 | 0 | 0 | 113.6 | Y177 L181 H269 I270 Y271 K276 | Y177-M273 HydrophobicContact CE1-CG 4.02Å; Y177-M273 HydrophobicContact CE1-SD 4.1Å; L181-M273 HydrophobicContact CD1-CE 3.71Å; L181-M273 HydrophobicContact CD1-SD 3.43Å; L181-M273 WeakPolarHBondContact CD1-SD 3.45Å; H269-M273 WeakPolarHBondContact O-CG 3.41Å; H269-M273 PolarHBondContact O-N 2.79Å; I270-M273 HydrophobicContact CB-CE 4.45Å; I270-M273 HydrophobicContact CG1-CE 3.97Å; I270-M273 PolarHBondContact O-N 3.29Å; Y271-M273 PolarHBondContact O-N 2.95Å; M273-K276 PolarHBondContact O-NZ 2.71Å |
| 274 | W | 97.7 | Very high | 96.5 | Very high | 204 Ų | 204 | 70.4 Ų | 70.4 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.8 | -49.3 | 173.3 | -173 | -76.7 | 0 | 0 | 0 | 110.4 | I270 Y271 L272 K276 | I270-W274 PolarHBondContact O-N 3.06Å; Y271-W274 WeakPolarHBondContact O-CB 3.41Å; Y271-W274 PolarHBondContact O-N 3.5Å; L272-W274 VanDerWaalsContact C-N 3.31Å; L272-W274 PolarHBondContact O-N 3.41Å; W274-K276 VanDerWaalsContact C-N 3.28Å; W274-K276 PolarHBondContact O-N 3.44Å |
| 275 | H | 96.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 69.3 Ų | 69.3 | 44% | 0.44 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.6 | -2.8 | -179.1 | -75.8 | -83.3 | 0 | 0 | 0 | 115.2 | Y271 L272 L277 | Y271-H275 AromaticContact CD2-CD2 3.63Å; Y271-H275 AromaticContact CD2-NE2 3.88Å; Y271-H275 AromaticContact CE2-CD2 3.28Å; Y271-H275 WeakPolarHBondContact CE2-CD2 3.49Å; Y271-H275 AromaticContact CE2-NE2 3.27Å; Y271-H275 VanDerWaalsContact CE2-NE2 3.27Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.31Å; Y271-H275 AromaticContact CZ-CD2 3.57Å; Y271-H275 AromaticContact CZ-NE2 3.81Å; Y271-H275 PolarHBondContact O-CD2 3.48Å; Y271-H275 PolarHBondContact O-N 2.93Å; L272-H275 CarbonylContact O-C 3.49Å; L272-H275 PolarHBondContact O-N 2.93Å; H275-L277 HydrophobicContact CB-CD1 4.15Å; H275-L277 HydrophobicContact CB-CG 4.21Å; H275-L277 PolarHBondContact O-N 2.79Å |
| 276 | K | 95.7 | Very high | 95.7 | Very high | 173 Ų | 173 | 72 Ų | 72 | 75% | 0.752 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 30.3 | -177.9 | -49.8 | -59.4 | 169.8 | -151.8 | 0 | 114 | L272 M273 W274 | L272-K276 PolarHBondContact O-N 3.2Å; M273-K276 PolarHBondContact O-NZ 2.71Å; W274-K276 VanDerWaalsContact C-N 3.28Å; W274-K276 PolarHBondContact O-N 3.44Å |
| 277 | L | 95.3 | Very high | 95.2 | Very high | 35 Ų | 35 | 74.9 Ų | 74.9 | 18% | 0.183 | 35% | 0.346 | C | S | . | . | trans | -104.3 | 150.3 | 177.5 | -62.6 | 174.3 | 0 | 0 | 0 | 110.7 | L272 H275 E281 Y282 | L272-L277 HydrophobicContact CD2-CB 4.18Å; L272-L277 PolarHBondContact O-N 2.78Å; L272-L277 VanDerWaalsContact O-N 3.12Å; H275-L277 HydrophobicContact CB-CD1 4.15Å; H275-L277 HydrophobicContact CB-CG 4.21Å; H275-L277 PolarHBondContact O-N 2.79Å; L277-E281 HydrophobicContact CD2-CB 4.34Å; L277-Y282 HydrophobicContact CD1-CD2 4.47Å | ||
| 278 | T | 96.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 75.4 Ų | 75.4 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | trans | -84.9 | 161.4 | 159 | 79.7 | 0 | 0 | 0 | 0 | 111.2 | F161 D162 Y280 E281 Y282 | F161-T278 PolarHBondContact O-OG1 2.95Å; D162-T278 WeakPolarHBondContact OD1-CA 3.45Å; D162-T278 WeakPolarHBondContact OD1-CB 3.28Å; T278-Y280 PolarHBondContact O-N 3.19Å; T278-Y280 PolarHBondContact OG1-N 3.34Å; T278-E281 PolarHBondContact N-OE2 2.83Å; T278-E281 PolarHBondContact O-N 3.45Å; T278-E281 VanDerWaalsContact O-N 3.14Å; T278-E281 WeakPolarHBondContact OG1-CG 3.32Å; T278-E281 PolarHBondContact OG1-N 3.38Å; T278-Y282 PolarHBondContact O-N 3.42Å | ||
| 279 | T | 96.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 8% | 0.08 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55.4 | -41.3 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | D162 F268 H269 L272 I283 | D162-T279 VanDerWaalsContact CG-OG1 3.28Å; D162-T279 PolarHBondContact OD1-N 3.23Å; D162-T279 PolarHBondContact OD1-OG1 3.16Å; D162-T279 VanDerWaalsContact OD2-CB 3.28Å; D162-T279 WeakPolarHBondContact OD2-CB 3.43Å; D162-T279 PolarHBondContact OD2-OG1 3.1Å; F268-T279 HydrophobicContact CE1-CG2 4.03Å; F268-T279 HydrophobicContact CZ-CG2 4.44Å; H269-T279 PolarHBondContact CE1-OG1 3.47Å; L272-T279 VanDerWaalsContact CD1-OG1 3.23Å; L272-T279 WeakPolarHBondContact CD1-OG1 3.2Å; T279-I283 HydrophobicContact CG2-CD1 3.85Å; T279-I283 WeakPolarHBondContact O-CB 3.46Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.43Å; T279-I283 PolarHBondContact O-N 3.38Å |
| 280 | Y | 94.8 | Very high | 90 | Very high | 41 Ų | 41 | 85.3 Ų | 85.3 | 16% | 0.161 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 174.6 | 174.3 | -93.8 | 0 | 0 | 0 | 112.2 | K149 F161 D162 T278 I283 V284 | K149-Y280 HydrophobicContact CD-CD1 4.5Å; K149-Y280 HydrophobicContact CD-CE1 3.91Å; K149-Y280 HydrophobicContact CG-CD1 4.44Å; K149-Y280 HydrophobicContact CG-CE1 4.26Å; F161-Y280 HydrophobicContact CD1-CD2 4.1Å; F161-Y280 HydrophobicContact CD1-CG 4.04Å; F161-Y280 AromaticContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CD2 3.86Å; F161-Y280 HydrophobicContact CE1-CG 4.2Å; D162-Y280 WeakPolarHBondContact O-CB 3.25Å; D162-Y280 PolarHBondContact O-N 3.44Å; T278-Y280 PolarHBondContact O-N 3.19Å; T278-Y280 PolarHBondContact OG1-N 3.34Å; Y280-I283 PolarHBondContact O-N 3.46Å; Y280-V284 HydrophobicContact CD1-CG2 4.35Å; Y280-V284 HydrophobicContact CD2-CG2 4.35Å; Y280-V284 HydrophobicContact CE1-CG2 3.98Å; Y280-V284 HydrophobicContact CE2-CG2 3.99Å; Y280-V284 WeakPolarHBondContact O-CB 3.32Å; Y280-V284 VanDerWaalsContact O-CG2 3.32Å; Y280-V284 WeakPolarHBondContact O-CG2 3.41Å; Y280-V284 PolarHBondContact O-N 2.99Å |
| 281 | E | 94.2 | Very high | 87.9 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | -179.9 | -70.2 | 167 | 165.3 | 0 | 0 | 111.6 | L277 T278 I283 V284 Q285 | L277-E281 HydrophobicContact CD2-CB 4.34Å; T278-E281 PolarHBondContact N-OE2 2.83Å; T278-E281 PolarHBondContact O-N 3.45Å; T278-E281 VanDerWaalsContact O-N 3.14Å; T278-E281 WeakPolarHBondContact OG1-CG 3.32Å; T278-E281 PolarHBondContact OG1-N 3.38Å; E281-I283 PolarHBondContact O-N 3.33Å; E281-V284 PolarHBondContact O-N 2.89Å; E281-Q285 WeakPolarHBondContact O-CB 3.48Å; E281-Q285 VanDerWaalsContact O-CG 3.25Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 3.13Å |
| 282 | Y | 95.6 | Very high | 85.6 | Confident | 63 Ų | 63 | 86.2 Ų | 86.2 | 25% | 0.247 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.3 | -50.3 | 174.1 | 175.9 | -94.4 | 0 | 0 | 0 | 111.6 | F268 Y271 L272 L277 T278 V284 Q285 H286 | F268-Y282 HydrophobicContact CE2-CD1 4.03Å; F268-Y282 AromaticContact CE2-CE1 3.84Å; F268-Y282 HydrophobicContact CE2-CE1 3.84Å; F268-Y282 AromaticContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CD1 3.85Å; F268-Y282 HydrophobicContact CZ-CE1 4.07Å; F268-Y282 HydrophobicContact CZ-CG 4.47Å; Y271-Y282 HydrophobicContact CE1-CD2 4.22Å; Y271-Y282 AromaticContact CE1-CE2 3.92Å; Y271-Y282 HydrophobicContact CE1-CE2 3.92Å; L272-Y282 HydrophobicContact CD2-CD2 4.12Å; L272-Y282 HydrophobicContact CD2-CG 3.89Å; L277-Y282 HydrophobicContact CD1-CD2 4.47Å; T278-Y282 PolarHBondContact O-N 3.42Å; Y282-V284 PolarHBondContact O-N 3.47Å; Y282-Q285 PolarHBondContact O-N 2.95Å; Y282-H286 AromaticContact CD2-CE1 3.5Å; Y282-H286 VanDerWaalsContact CD2-CE1 3.5Å; Y282-H286 WeakPolarHBondContact CD2-CE1 3.29Å; Y282-H286 AromaticContact CD2-ND1 3.7Å; Y282-H286 AromaticContact CE2-CE1 3.28Å; Y282-H286 WeakPolarHBondContact CE2-CE1 3.37Å; Y282-H286 AromaticContact CE2-ND1 3.69Å; Y282-H286 AromaticContact CE2-NE2 3.79Å; Y282-H286 AromaticContact CZ-CE1 3.93Å; Y282-H286 PolarHBondContact O-N 3.37Å; Y282-H286 VanDerWaalsContact O-N 3.16Å; Y282-H286 PolarHBondContact O-ND1 2.92Å |
| 283 | I | 93.9 | Very high | 83 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 179.6 | -70.1 | 168.1 | 0 | 0 | 0 | 111.4 | T279 Y280 E281 H286 R287 | T279-I283 HydrophobicContact CG2-CD1 3.85Å; T279-I283 WeakPolarHBondContact O-CB 3.46Å; T279-I283 VanDerWaalsContact O-CG1 3.26Å; T279-I283 WeakPolarHBondContact O-CG1 3.43Å; T279-I283 PolarHBondContact O-N 3.38Å; Y280-I283 PolarHBondContact O-N 3.46Å; E281-I283 PolarHBondContact O-N 3.33Å; I283-H286 PolarHBondContact O-N 2.9Å; I283-R287 PolarHBondContact O-N 3.15Å |
| 284 | V | 91.4 | Very high | 80.5 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 35% | 0.352 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | -179.5 | 170 | 0 | 0 | 0 | 0 | 111.5 | Y280 E281 Y282 H286 R287 | Y280-V284 HydrophobicContact CD1-CG2 4.35Å; Y280-V284 HydrophobicContact CD2-CG2 4.35Å; Y280-V284 HydrophobicContact CE1-CG2 3.98Å; Y280-V284 HydrophobicContact CE2-CG2 3.99Å; Y280-V284 WeakPolarHBondContact O-CB 3.32Å; Y280-V284 VanDerWaalsContact O-CG2 3.32Å; Y280-V284 WeakPolarHBondContact O-CG2 3.41Å; Y280-V284 PolarHBondContact O-N 2.99Å; E281-V284 PolarHBondContact O-N 2.89Å; Y282-V284 PolarHBondContact O-N 3.47Å; V284-H286 VanDerWaalsContact C-N 3.29Å; V284-H286 PolarHBondContact O-N 2.96Å; V284-R287 PolarHBondContact O-N 3.46Å |
| 285 | Q | 92.5 | Very high | 78.2 | Confident | 121 Ų | 121 | 87.4 Ų | 87.4 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.7 | -31.4 | 177.1 | -72.7 | 170.4 | 5 | 0 | 0 | 113.2 | E281 Y282 | E281-Q285 WeakPolarHBondContact O-CB 3.48Å; E281-Q285 VanDerWaalsContact O-CG 3.25Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 3.13Å; Y282-Q285 PolarHBondContact O-N 2.95Å |
| 286 | H | 87.1 | Confident | 75.7 | Confident | 110 Ų | 110 | 88.2 Ų | 88.2 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.5 | -177.7 | -69 | 78.3 | 0 | 0 | 0 | 114.1 | Y282 I283 V284 | Y282-H286 AromaticContact CD2-CE1 3.5Å; Y282-H286 VanDerWaalsContact CD2-CE1 3.5Å; Y282-H286 WeakPolarHBondContact CD2-CE1 3.29Å; Y282-H286 AromaticContact CD2-ND1 3.7Å; Y282-H286 AromaticContact CE2-CE1 3.28Å; Y282-H286 WeakPolarHBondContact CE2-CE1 3.37Å; Y282-H286 AromaticContact CE2-ND1 3.69Å; Y282-H286 AromaticContact CE2-NE2 3.79Å; Y282-H286 AromaticContact CZ-CE1 3.93Å; Y282-H286 PolarHBondContact O-N 3.37Å; Y282-H286 VanDerWaalsContact O-N 3.16Å; Y282-H286 PolarHBondContact O-ND1 2.92Å; I283-H286 PolarHBondContact O-N 2.9Å; V284-H286 VanDerWaalsContact C-N 3.29Å; V284-H286 PolarHBondContact O-N 2.96Å |
| 287 | R | 87.6 | Confident | 73.2 | Confident | 92 Ų | 92 | 89.6 Ų | 89.6 | 35% | 0.347 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -68.5 | 123.8 | 170.6 | -73 | -170.4 | -175.4 | -177.8 | 5.1 | 109.7 | I283 V284 | I283-R287 PolarHBondContact O-N 3.15Å; V284-R287 PolarHBondContact O-N 3.46Å |
| 288 | P | 74.9 | Confident | 70.8 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | trans | -64.5 | 142 | 179.4 | 26.3 | -33.6 | 0 | 0 | 0 | 110.3 | Q290 | P288-Q290 PolarHBondContact O-N 3.44Š| ||
| 289 | P | 61.3 | Low | 68.6 | Low | 113 Ų | 113 | 100.8 Ų | 100.8 | 73% | 0.734 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 10.5 | 179.3 | -24.7 | 34.5 | 0 | 0 | 0 | 116.4 | A292 | P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 2.93Å |
| 290 | Q | 50 | Low | 66.2 | Low | 154 Ų | 154 | 107 Ų | 107 | 72% | 0.72 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.8 | -25.4 | -170.8 | -66 | -154.8 | 4.8 | 0 | 0 | 114 | P288 A292 K293 G294 | P288-Q290 PolarHBondContact O-N 3.44Å; Q290-A292 PolarHBondContact O-N 2.97Å; Q290-K293 PolarHBondContact O-N 2.84Å; Q290-K293 VanDerWaalsContact O-N 3.13Å; Q290-G294 PolarHBondContact O-N 3.19Å; Q290-G294 VanDerWaalsContact O-N 3.09Å |
| 291 | E | 54 | Low | 63.6 | Low | 138 Ų | 138 | 108.8 Ų | 108.8 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -32.7 | 169.7 | -70.4 | -177.2 | 154.2 | 0 | 0 | 111.7 | K293 G294 V295 | E291-K293 VanDerWaalsContact C-N 3.33Å; E291-K293 PolarHBondContact O-N 2.99Å; E291-G294 PolarHBondContact O-N 3.13Å; E291-V295 WeakPolarHBondContact O-CG2 3.39Å; E291-V295 PolarHBondContact O-N 2.81Å |
| 292 | A | 49.2 | Very low | 60.7 | Low | 67 Ų | 67 | 110.7 Ų | 110.7 | 55% | 0.554 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.5 | -23.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P289 Q290 H296 | P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 2.93Å; Q290-A292 PolarHBondContact O-N 2.97Å; A292-H296 PolarHBondContact O-N 3.48Å |
| 293 | K | 42.5 | Very low | 58.1 | Low | 165 Ų | 165 | 113.1 Ų | 113.1 | 72% | 0.717 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -87.8 | -26.4 | 175.3 | -79 | -170.6 | 173.7 | -174.8 | 0 | 113.5 | Q290 E291 R297 | Q290-K293 PolarHBondContact O-N 2.84Å; Q290-K293 VanDerWaalsContact O-N 3.13Å; E291-K293 VanDerWaalsContact C-N 3.33Å; E291-K293 PolarHBondContact O-N 2.99Å; K293-R297 PolarHBondContact O-N 3.44Å |
| 294 | G | 43.2 | Very low | 55.5 | Low | 37 Ų | 37 | 115 Ų | 115 | 38% | 0.381 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.4 | -56.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q290 E291 H296 R297 E298 | Q290-G294 PolarHBondContact O-N 3.19Å; Q290-G294 VanDerWaalsContact O-N 3.09Å; E291-G294 PolarHBondContact O-N 3.13Å; G294-H296 VanDerWaalsContact C-N 3.31Å; G294-H296 PolarHBondContact O-N 3.26Å; G294-R297 PolarHBondContact O-N 3.41Å; G294-R297 VanDerWaalsContact O-N 3.12Å; G294-E298 PolarHBondContact O-N 3.33Å |
| 295 | V | 50.2 | Low | 52.8 | Low | 98 Ų | 98 | 121.8 Ų | 121.8 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.2 | -38.1 | -179 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | E291 E298 L299 | E291-V295 WeakPolarHBondContact O-CG2 3.39Å; E291-V295 PolarHBondContact O-N 2.81Å; V295-E298 PolarHBondContact O-N 3.25Å; V295-L299 WeakPolarHBondContact O-CB 3.5Å; V295-L299 PolarHBondContact O-N 3.36Å |
| 296 | H | 43.8 | Very low | 50 | Low | 113 Ų | 113 | 125 Ų | 125 | 52% | 0.523 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -68.7 | -38.6 | 177.8 | -156.5 | -70.6 | 0 | 0 | 0 | 112.8 | A292 G294 L299 E300 | A292-H296 PolarHBondContact O-N 3.48Å; G294-H296 VanDerWaalsContact C-N 3.31Å; G294-H296 PolarHBondContact O-N 3.26Å; H296-L299 PolarHBondContact O-N 2.97Å; H296-E300 IonicContact CE1-OE1 2.77Å; H296-E300 PolarHBondContact CE1-OE1 2.88Å; H296-E300 IonicContact CE1-OE2 3.85Å; H296-E300 VanDerWaalsContact ND1-CD 3.33Å; H296-E300 IonicContact ND1-OE1 3.59Å; H296-E300 IonicContact ND1-OE2 2.83Å; H296-E300 PolarHBondContact ND1-OE2 2.93Å; H296-E300 VanDerWaalsContact ND1-OE2 3.14Å; H296-E300 WeakPolarHBondContact O-CG 3.16Å; H296-E300 PolarHBondContact O-N 2.89Å; H296-E300 VanDerWaalsContact O-N 3.15Å |
| 297 | R | 44 | Very low | 47.2 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68 | -36.5 | 175.1 | -102.5 | -177 | 163 | -174.7 | -7.8 | 112.8 | K293 G294 E300 S301 | K293-R297 PolarHBondContact O-N 3.44Å; G294-R297 PolarHBondContact O-N 3.41Å; G294-R297 VanDerWaalsContact O-N 3.12Å; R297-E300 PolarHBondContact O-N 3.29Å; R297-S301 PolarHBondContact O-N 2.95Å |
| 298 | E | 45.1 | Very low | 44.8 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.7 | -40.2 | 178.5 | -153 | 169.5 | 147.3 | 0 | 0 | 110.4 | G294 V295 E300 S301 | G294-E298 PolarHBondContact O-N 3.33Å; V295-E298 PolarHBondContact O-N 3.25Å; E298-E300 PolarHBondContact O-N 3.4Å; E298-S301 PolarHBondContact O-N 3.38Å; E298-S301 PolarHBondContact O-OG 3.48Å |
| 299 | L | 48.7 | Very low | 43.3 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67.3 | -29.8 | 175.5 | -148.8 | 78.3 | 0 | 0 | 0 | 114 | V295 H296 S301 | V295-L299 WeakPolarHBondContact O-CB 3.5Å; V295-L299 PolarHBondContact O-N 3.36Å; H296-L299 PolarHBondContact O-N 2.97Å; L299-S301 VanDerWaalsContact C-N 3.29Å |
| 300 | E | 45.8 | Very low | 42.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -7.4 | 175.6 | -75.2 | 173.6 | 138.8 | 0 | 0 | 113.6 | H296 R297 E298 | H296-E300 IonicContact CE1-OE1 2.77Å; H296-E300 PolarHBondContact CE1-OE1 2.88Å; H296-E300 IonicContact CE1-OE2 3.85Å; H296-E300 VanDerWaalsContact ND1-CD 3.33Å; H296-E300 IonicContact ND1-OE1 3.59Å; H296-E300 IonicContact ND1-OE2 2.83Å; H296-E300 PolarHBondContact ND1-OE2 2.93Å; H296-E300 VanDerWaalsContact ND1-OE2 3.14Å; H296-E300 WeakPolarHBondContact O-CG 3.16Å; H296-E300 PolarHBondContact O-N 2.89Å; H296-E300 VanDerWaalsContact O-N 3.15Å; R297-E300 PolarHBondContact O-N 3.29Å; E298-E300 PolarHBondContact O-N 3.4Å |
| 301 | S | 40.5 | Very low | 41.3 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 55% | 0.552 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 7.7 | -172.6 | 70.2 | 0 | 0 | 0 | 0 | 115.8 | R297 E298 L299 P303 | R297-S301 PolarHBondContact O-N 2.95Å; E298-S301 PolarHBondContact O-N 3.38Å; E298-S301 PolarHBondContact O-OG 3.48Å; L299-S301 VanDerWaalsContact C-N 3.29Å; S301-P303 WeakPolarHBondContact O-CD 3.4Å |
| 302 | C | 33.1 | Very low | 40.3 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | trans | -89 | 110.5 | 175.9 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 303 | P | 41.2 | Very low | 39.7 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | -77.4 | 155.7 | 169.1 | 33.2 | -35.4 | 0 | 0 | 0 | 111.8 | S301 | S301-P303 WeakPolarHBondContact O-CD 3.4Š| ||
| 304 | P | 38.8 | Very low | 39.2 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | -79.7 | 128.9 | -176.2 | 30.6 | -34.2 | 0 | 0 | 0 | 114.1 | ||||
| 305 | K | 36.4 | Very low | 38.6 | Very low | 200 Ų | 200 | 157.2 Ų | 157.2 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | 38.2 | 101 | 156.3 | -73.3 | -176 | 173.5 | 179.9 | 0 | 120.2 | ||||
| 306 | M | 33.3 | Very low | 37.8 | Very low | 187 Ų | 187 | 161.3 Ų | 161.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | 40 | 123.6 | 130.8 | -89.2 | -178 | 165.5 | 0 | 0 | 121.8 | ||||
| 307 | R | 28 | Very low | 37.4 | Very low | 244 Ų | 244 | 167.2 Ų | 167.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | -165.2 | 168.9 | 128.7 | -110.9 | 176.1 | -146.6 | -125.7 | 9.1 | 109.9 | |||||
| 308 | P | 36.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 162.6 Ų | 162.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | -117 | 158 | -106.4 | 34.7 | -20.5 | 0 | 0 | 0 | 117.1 | |||||
| 309 | I | 45.2 | Very low | 36.2 | Very low | 166 Ų | 166 | 165.5 Ų | 165.5 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 36 | 92.5 | 150.1 | -47.7 | 171.4 | 0 | 0 | 0 | 117.3 | ||||
| 310 | Q | 34.3 | Very low | 35.2 | Very low | 189 Ų | 189 | 164 Ų | 164 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | -161.3 | 146.8 | 128.5 | -114 | 171.5 | -14.4 | 0 | 0 | 109.2 | |||||
| 311 | E | 33.4 | Very low | 34.4 | Very low | 183 Ų | 183 | 165.6 Ų | 165.6 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | 104.2 | 77.3 | -176 | -63.4 | -165.5 | 161.9 | 0 | 0 | 116.8 | ||||
| 312 | M | 33.1 | Very low | 33.8 | Very low | 179 Ų | 179 | 168.8 Ų | 168.8 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | -124.6 | 30.6 | 156.8 | -168.1 | 114 | 81.6 | 0 | 0 | 111.7 | ||||
| 313 | E | 37.9 | Very low | 33.6 | Very low | 184 Ų | 184 | 174.6 Ų | 174.6 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -114.2 | -13.7 | 179.3 | -70.3 | -167.1 | 124.9 | 0 | 0 | 114.5 | ||
| 314 | F | 32 | Very low | 33.1 | Very low | 179 Ų | 179 | 174.5 Ų | 174.5 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -87.1 | -10.6 | -172.4 | -160 | -106.8 | 0 | 0 | 0 | 115.7 | ||
| 315 | Y | 29.3 | Very low | 32.6 | Very low | 215 Ų | 215 | 176.3 Ų | 176.3 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -121.2 | 0.7 | -172.4 | -134 | -95.7 | 0 | 0 | 0 | 116.8 | ||
| 316 | M | 33.3 | Very low | 32.2 | Very low | 184 Ų | 184 | 171.9 Ų | 171.9 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -102.4 | 30.3 | 174.5 | -89.6 | -133 | -70.3 | 0 | 0 | 113.7 | ||
| 317 | R | 35.1 | Very low | 31.9 | Very low | 236 Ų | 236 | 168.4 Ų | 168.4 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -127.7 | 12 | 179.2 | -145.8 | 176.1 | -176.9 | 163 | 2.5 | 115.9 | ||
| 318 | T | 38.2 | Very low | 31.9 | Very low | 105 Ų | 105 | 160 Ų | 160 | 64% | 0.644 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -133.4 | 125.2 | -179.9 | -34.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 319 | F | 27.3 | Very low | 31.5 | Very low | 204 Ų | 204 | 163.7 Ų | 163.7 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | 80.7 | 49.3 | 179.5 | -57.9 | -73 | 0 | 0 | 0 | 118.9 | ||||
| 320 | S | 27.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 160.4 Ų | 160.4 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -88.1 | 120.6 | 143.4 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 321 | H | 29.1 | Very low | 30.4 | Very low | 175 Ų | 175 | 163 Ų | 163 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 53.7 | 115.6 | 161.5 | -67.9 | -80 | 0 | 0 | 0 | 121.5 | ||||
| 322 | V | 27.8 | Very low | 30.5 | Very low | 146 Ų | 146 | 160 Ų | 160 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | -134.8 | 111.7 | 128.6 | -177.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 323 | R | 28.4 | Very low | 30.2 | Very low | 230 Ų | 230 | 156.1 Ų | 156.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -118.1 | 162.7 | 145.3 | -119.3 | -159.6 | -169.2 | 166 | 6.7 | 106.5 | ||||
| 324 | P | 29.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | trans | -74.9 | 148.7 | -152 | 29.6 | -37.2 | 0 | 0 | 0 | 115.3 | ||||
| 325 | E | 28.3 | Very low | 29.5 | Very low | 167 Ų | 167 | 151 Ų | 151 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -52.9 | 155.8 | 159.6 | -90.4 | -71 | 130.6 | 0 | 0 | 113.2 | ||||
| 326 | P | 29.9 | Very low | 29.4 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | -137.8 | 140.2 | 118.5 | 36.8 | -25.8 | 0 | 0 | 0 | 116.6 | |||||
| 327 | S | 25.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 66.1 | 116.2 | 146.5 | 60.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 328 | G | 28.7 | Very low | 28.9 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 161.9 | 93.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 329 | Q | 27.9 | Very low | 28.4 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | 43.1 | 145.9 | 155.4 | -95.9 | 87.6 | -13.8 | 0 | 0 | 124.3 | ||||
| 330 | A | 27.1 | Very low | 28.4 | Very low | 97 Ų | 97 | 138 Ų | 138 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 76.5 | 98.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 331 | R | 29.3 | Very low | 28.4 | Very low | 242 Ų | 242 | 138.6 Ų | 138.6 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -62.9 | 161.2 | 143.3 | -89.6 | -178.6 | -179.3 | -172.6 | 0.9 | 110.3 | ||||
| 332 | P | 36.1 | Very low | 28.9 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | -153.2 | 172.3 | 50.8 | 42.5 | -21.3 | 0 | 0 | 0 | 121 | |||||
| 333 | A | 26.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 62.1 | 114.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 334 | A | 25.3 | Very low | 28.9 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -107.4 | 145.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | V | 28.9 | Very low | 29.8 | Very low | 151 Ų | 151 | 130 Ų | 130 | 92% | 0.915 | 80% | 0.8 | S | S | * | * | trans | -104.4 | 172 | 176.3 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 336 | N | 28.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -107.9 | 179.2 | -146 | -170.1 | 12.9 | 0 | 0 | 0 | 114.9 | ||||
| 337 | A | 27.9 | Very low | 30.8 | Very low | 83 Ų | 83 | 129 Ų | 129 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | 82.5 | 145.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 338 | K | 28.5 | Very low | 31 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | cis | 133.5 | 151.3 | -9.6 | -93.3 | -166.2 | 176.2 | -172 | 0 | 110.5 | ||||
| 339 | H | 29.3 | Very low | 31.8 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | 85.3 | 151.8 | 170.2 | -53.5 | 94.8 | 0 | 0 | 0 | 116.6 | ||||
| 340 | C | 26.1 | Very low | 31.7 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | cis | -164.1 | 174.3 | -21.6 | -111 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 341 | C | 29 | Very low | 31.7 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -101.8 | 161.8 | 175.2 | -58.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 342 | P | 37.8 | Very low | 31.6 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -145.3 | 179.5 | 122.3 | 31.2 | -12 | 0 | 0 | 0 | 112.9 | |||||
| 343 | A | 28.1 | Very low | 31.3 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | cis | -164.4 | -170.7 | -24.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 344 | S | 28.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -105.2 | -174 | -173.6 | -45.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 345 | P | 49 | Very low | 31.4 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | -147.2 | -176.9 | 80.4 | 37.3 | -15.9 | 0 | 0 | 0 | 118 | |||||
| 346 | D | 31.2 | Very low | 31.3 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -104.9 | 179.2 | -165 | -154.4 | 29.1 | 0 | 0 | 0 | 112.9 | ||||
| 347 | P | 47.9 | Very low | 31.6 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -152.7 | 175.8 | 73.8 | 39.3 | -17.3 | 0 | 0 | 0 | 118.7 | |||||
| 348 | T | 30.3 | Very low | 32.1 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | trans | -112.2 | -177.4 | -179.2 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 349 | P | 43.9 | Very low | 32 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | -157.7 | 143.3 | 83.3 | 38.4 | -16.4 | 0 | 0 | 0 | 120.8 | |||||
| 350 | G | 25.4 | Very low | 31.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 92.1 | 156.8 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 351 | R | 27.9 | Very low | 31.9 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | cis | -172.5 | 129.9 | -22.7 | -170.1 | -171.5 | -168.8 | -153.2 | 3.9 | 111.3 | ||||
| 352 | R | 28.2 | Very low | 31.7 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | 158.8 | 125 | 129.9 | -92 | -174.3 | -113.7 | -147.1 | -1 | 114.4 | |||||
| 353 | D | 28.4 | Very low | 31.2 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -102.7 | 162 | 168.6 | -52.1 | -76.3 | 0 | 0 | 0 | 112.3 | ||||
| 354 | C | 25.2 | Very low | 31.2 | Very low | 141 Ų | 141 | 144 Ų | 144 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | trans | -140.7 | 133 | 152.6 | -76.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 355 | A | 30.1 | Very low | 31.5 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -121.3 | 161 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 356 | G | 26.7 | Very low | 30.7 | Very low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -145.8 | 152.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 357 | P | 35 | Very low | 30.6 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -88.1 | 170.2 | -158.8 | 35.3 | -37.6 | 0 | 0 | 0 | 115.4 | ||||
| 358 | P | 37.6 | Very low | 29.8 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | trans | -96 | 163.1 | -166.2 | 38 | -36.1 | 0 | 0 | 0 | 114.8 | ||||
| 359 | V | 26.6 | Very low | 30.2 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -130.8 | 124.6 | 159.7 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 360 | Q | 24.6 | Very low | 29.5 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | trans | -89.2 | 146.5 | 169.1 | -68.7 | -171.4 | -9.6 | 0 | 0 | 110.1 | ||||
| 361 | V | 27.9 | Very low | 29.7 | Very low | 128 Ų | 128 | 160.3 Ų | 160.3 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | trans | -132.3 | 130.9 | 158 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 362 | E | 24.8 | Very low | 29.9 | Very low | 186 Ų | 186 | 160.8 Ų | 160.8 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | trans | -84.6 | 148.7 | -169.4 | -169.1 | 168.8 | 172 | 0 | 0 | 111.9 | ||||
| 363 | W | 28.5 | Very low | 29.9 | Very low | 236 Ų | 236 | 154.8 Ų | 154.8 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | -113.8 | 116.6 | 176 | -79 | 90.8 | 0 | 0 | 0 | 110.8 | ||||
| 364 | D | 27.5 | Very low | 30.2 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -64 | 138.2 | -177.2 | -174.1 | 8.7 | 0 | 0 | 0 | 112.6 | ||||
| 365 | K | 34.5 | Very low | 30.5 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -109.3 | 70.5 | -174.9 | -67.3 | 178.3 | -178 | 168.5 | 0 | 111.2 | ||||
| 366 | N | 33.2 | Very low | 30.6 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -161.2 | 75.4 | 169.2 | -104.3 | -28.4 | 0 | 0 | 0 | 115.6 | ||||
| 367 | K | 28.1 | Very low | 30.9 | Very low | 204 Ų | 204 | 160.2 Ų | 160.2 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -146.7 | 139 | 148.2 | -68 | -161 | 179.2 | -179.3 | 0 | 111.4 | ||||
| 368 | P | 31.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -84.7 | 153.6 | -169.6 | 33 | -36.4 | 0 | 0 | 0 | 114.7 | ||||
| 369 | L | 38.9 | Very low | 30.6 | Very low | 145 Ų | 145 | 159 Ų | 159 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -76.4 | 142.6 | 167 | -74.8 | 80.6 | 0 | 0 | 0 | 111.4 | ||||
| 370 | P | 29.7 | Very low | 30.8 | Very low | 128 Ų | 128 | 160 Ų | 160 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -105.4 | 115.8 | 154.4 | 33 | -23.4 | 0 | 0 | 0 | 111.1 | ||||
| 371 | W | 29.6 | Very low | 31.4 | Very low | 226 Ų | 226 | 161.7 Ų | 161.7 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -88.2 | 158.4 | 161.6 | -90.7 | 88.8 | 0 | 0 | 0 | 110.7 | ||||
| 372 | R | 30.9 | Very low | 31.5 | Very low | 238 Ų | 238 | 158.5 Ų | 158.5 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 92.1 | 110.2 | 169.4 | -54.3 | 179.7 | 179.9 | -119.6 | -2.2 | 116.3 | ||||
| 373 | S | 29.8 | Very low | 32 | Very low | 102 Ų | 102 | 156 Ų | 156 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -149 | 134.6 | 155.1 | -78.4 | 0 | 0 | 0 | 0 | 108.9 | L375 | S373-L375 VanDerWaalsContact C-N 3.32Å; S373-L375 PolarHBondContact O-N 3.36Å | ||
| 374 | P | 34.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -85.8 | 62.3 | -168.7 | 35.4 | -37 | 0 | 0 | 0 | 112.8 | ||||
| 375 | L | 31.1 | Very low | 32.4 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -109.9 | 17.3 | -176.7 | -90.1 | 164.3 | 0 | 0 | 0 | 114.8 | S373 L377 | S373-L375 VanDerWaalsContact C-N 3.32Å; S373-L375 PolarHBondContact O-N 3.36Å; L375-L377 VanDerWaalsContact C-N 3.3Å; L375-L377 PolarHBondContact O-N 3.3Å | ||
| 376 | L | 32 | Very low | 32.3 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 27.1 | -174.8 | -112.6 | 162.8 | 0 | 0 | 0 | 115 | ||
| 377 | L | 32.4 | Very low | 32.2 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -9.2 | 172.7 | -91.4 | 162.2 | 0 | 0 | 0 | 114.5 | L375 | L375-L377 VanDerWaalsContact C-N 3.3Å; L375-L377 PolarHBondContact O-N 3.3Å |
| 378 | L | 34.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -87.9 | -12.1 | 174 | -96.2 | 79.4 | 0 | 0 | 0 | 114.2 | M380 | L378-M380 VanDerWaalsContact C-N 3.3Å; L378-M380 PolarHBondContact O-N 3Å |
| 379 | A | 32.8 | Very low | 31.8 | Very low | 83 Ų | 83 | 146.1 Ų | 146.1 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 12.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 380 | M | 30.4 | Very low | 31.2 | Very low | 159 Ų | 159 | 145 Ų | 145 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -11.3 | -173.9 | -82.6 | -76.1 | -67.7 | 0 | 0 | 114.9 | L378 | L378-M380 VanDerWaalsContact C-N 3.3Å; L378-M380 PolarHBondContact O-N 3Å |
| 381 | W | 37.3 | Very low | 31 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -136.5 | 78.6 | -171.3 | -75.9 | 63.9 | 0 | 0 | 0 | 112.3 | ||
| 382 | G | 29.9 | Very low | 30.9 | Very low | 61 Ų | 61 | 148 Ų | 148 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | 158.7 | 128.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 383 | P | 34.3 | Very low | 30.9 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 133.9 | 174.8 | 29.7 | -32.9 | 0 | 0 | 0 | 110.8 | S385 | P383-S385 PolarHBondContact O-N 2.85Š|
| 384 | Q | 33.3 | Very low | 30.8 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.2 | 175.6 | -63 | 171.5 | 10.2 | 0 | 0 | 110.1 | P386 | Q384-P386 WeakPolarHBondContact O-CD 3.44Š|
| 385 | S | 31.5 | Very low | 30.6 | Very low | 113 Ų | 113 | 152.1 Ų | 152.1 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 119.3 | 167.2 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | P383 | P383-S385 PolarHBondContact O-N 2.85Š|
| 386 | P | 32.6 | Very low | 30.5 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 151.2 | 176.5 | 30.6 | -34.1 | 0 | 0 | 0 | 111.3 | Q384 | Q384-P386 WeakPolarHBondContact O-CD 3.44Š|
| 387 | P | 30.3 | Very low | 30.4 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 151.5 | -174.8 | 28.8 | -35.5 | 0 | 0 | 0 | 113.2 | L389 | P387-L389 PolarHBondContact O-N 3Š|
| 388 | C | 26 | Very low | 30 | Very low | 132 Ų | 132 | 145 Ų | 145 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -66.5 | 100.8 | -178.5 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | C390 | C388-C390 PolarHBondContact O-N 3.42Å; C388-C390 VanDerWaalsContact O-N 3.1Å | ||
| 389 | L | 26.3 | Very low | 29.8 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 90% | 0.901 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 91.9 | 168.7 | -88.6 | 163.8 | 0 | 0 | 0 | 111.3 | P387 R391 | P387-L389 PolarHBondContact O-N 3Å; L389-R391 PolarHBondContact O-N 3.37Å; L389-R391 VanDerWaalsContact O-N 3.08Å | ||
| 390 | C | 25 | Very low | 29.6 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -74.2 | 94.3 | 177 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | C388 K392 | C388-C390 PolarHBondContact O-N 3.42Å; C388-C390 VanDerWaalsContact O-N 3.1Å; C390-K392 PolarHBondContact O-N 3.04Å | ||
| 391 | R | 25.3 | Very low | 29.4 | Very low | 215 Ų | 215 | 149.4 Ų | 149.4 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -79.5 | 101.4 | -179.4 | -168.8 | 176.5 | -171.7 | 175.5 | 4.9 | 112 | L389 | L389-R391 PolarHBondContact O-N 3.37Å; L389-R391 VanDerWaalsContact O-N 3.08Å | ||
| 392 | K | 28.9 | Very low | 28.9 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | trans | -55 | 136.2 | 165.5 | -77.1 | 179.1 | 176.1 | 173.8 | 0 | 110.7 | C390 | C390-K392 PolarHBondContact O-N 3.04Š| ||
| 393 | R | 29.6 | Very low | 28.8 | Very low | 220 Ų | 220 | 151.4 Ų | 151.4 | 83% | 0.83 | 84% | 0.841 | S | S | * | * | trans | -142.6 | 130.1 | 164.6 | -121.4 | -172.3 | -179.5 | -168.2 | -0.6 | 110.6 | ||||
| 394 | G | 28.4 | Very low | 28.5 | Very low | 79 Ų | 79 | 153.5 Ų | 153.5 | 81% | 0.814 | 84% | 0.844 | S | S | * | * | trans | 68.7 | 120.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 395 | R | 30.6 | Very low | 28.4 | Very low | 264 Ų | 264 | 155.2 Ų | 155.2 | 100% | 0.996 | 84% | 0.843 | S | S | * | * | trans | -79.7 | 142.5 | 166.1 | -53.2 | 177.2 | -159.7 | -143.8 | 3.7 | 109.3 | ||||
| 396 | G | 29.1 | Very low | 28.3 | Very low | 75 Ų | 75 | 155.7 Ų | 155.7 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | -155.6 | 147.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 397 | A | 28.7 | Very low | 28 | Very low | 106 Ų | 106 | 162.2 Ų | 162.2 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | trans | -64.5 | 150.4 | -160.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 398 | C | 24.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 164.2 Ų | 164.2 | 81% | 0.811 | 86% | 0.856 | S | S | * | * | trans | -94.8 | 119.7 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 399 | I | 30.2 | Very low | 28.4 | Very low | 158 Ų | 158 | 161.4 Ų | 161.4 | 81% | 0.81 | 85% | 0.849 | S | S | * | * | trans | -116.5 | 116.9 | 165.7 | -61.2 | -179.6 | 0 | 0 | 0 | 107.5 | ||||
| 400 | K | 29 | Very low | 28.5 | Very low | 191 Ų | 191 | 164.9 Ų | 164.9 | 83% | 0.83 | 85% | 0.85 | S | S | * | * | trans | -73.1 | 126.3 | 173.8 | -78.2 | 178 | 175 | 174.3 | 0 | 109.9 | ||||
| 401 | C | 26.9 | Very low | 28.9 | Very low | 131 Ų | 131 | 171.1 Ų | 171.1 | 89% | 0.885 | 86% | 0.856 | S | S | * | * | trans | -161.2 | 133.3 | 150.5 | -117.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 402 | G | 27.4 | Very low | 29.3 | Very low | 70 Ų | 70 | 164.2 Ų | 164.2 | 72% | 0.722 | 85% | 0.852 | S | S | * | * | trans | 67.8 | 108.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | L404 | G402-L404 PolarHBondContact O-N 3.22Š| ||
| 403 | R | 27.5 | Very low | 29.8 | Very low | 252 Ų | 252 | 161.3 Ų | 161.3 | 95% | 0.951 | 85% | 0.853 | S | S | * | * | trans | -68.7 | 117.1 | 153.7 | -82.4 | -174.5 | 175.8 | -172.9 | -0.5 | 109.6 | R405 | R403-R405 PolarHBondContact O-N 3.26Š| ||
| 404 | L | 28.2 | Very low | 29.9 | Very low | 178 Ų | 178 | 154 Ų | 154 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | trans | -76.9 | 111.3 | 166.1 | -81.3 | 160.1 | 0 | 0 | 0 | 110.4 | G402 | G402-L404 PolarHBondContact O-N 3.22Š| ||
| 405 | R | 30.3 | Very low | 30.4 | Very low | 226 Ų | 226 | 156.3 Ų | 156.3 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -83.4 | 147.8 | 159.5 | -74.7 | -171.7 | -179.8 | -161 | 2.5 | 109.3 | R403 R407 | R403-R405 PolarHBondContact O-N 3.26Å; R405-R407 PolarHBondContact O-N 3Å | ||
| 406 | P | 29.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 150 Ų | 150 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | trans | -64 | 129.9 | 163.5 | -17.1 | 31 | 0 | 0 | 0 | 110.5 | I408 | P406-I408 PolarHBondContact O-N 3.24Š| ||
| 407 | R | 27 | Very low | 31 | Very low | 250 Ų | 250 | 151.4 Ų | 151.4 | 94% | 0.943 | 85% | 0.845 | S | S | * | * | trans | -76.7 | 115.7 | 168.3 | -91.5 | 179.3 | 166.9 | 170.5 | -4.5 | 109.2 | R405 | R405-R407 PolarHBondContact O-N 3Š| ||
| 408 | I | 32.8 | Very low | 31.1 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 120.4 | 157.4 | -64.6 | 174 | 0 | 0 | 0 | 106.9 | P406 | P406-I408 PolarHBondContact O-N 3.24Š|
| 409 | G | 30.7 | Very low | 31.7 | Very low | 72 Ų | 72 | 150.3 Ų | 150.3 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 134.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 410 | R | 30.3 | Very low | 32.1 | Very low | 246 Ų | 246 | 148.9 Ų | 148.9 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 141.7 | 169.3 | -70.5 | 180 | 172.1 | -175 | -3.7 | 110.4 | ||
| 411 | R | 32.1 | Very low | 32.3 | Very low | 253 Ų | 253 | 144.3 Ų | 144.3 | 96% | 0.955 | 84% | 0.843 | S | S | * | * | trans | -117.1 | 153.2 | 146.6 | -82.4 | -169.1 | 175.8 | -165.1 | -0.1 | 108.8 | ||||
| 412 | G | 34 | Very low | 32.6 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | trans | -79.1 | -171.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 413 | P | 38.8 | Very low | 32.8 | Very low | 140 Ų | 140 | 158.1 Ų | 158.1 | 91% | 0.909 | 86% | 0.855 | S | S | * | * | trans | -88.6 | 159.3 | -156.6 | 35 | -37.1 | 0 | 0 | 0 | 115.5 | ||||
| 414 | G | 32.3 | Very low | 33 | Very low | 66 Ų | 66 | 157.3 Ų | 157.3 | 68% | 0.68 | 85% | 0.852 | S | S | * | * | trans | -139.4 | 163.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 415 | P | 38.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 83% | 0.831 | 85% | 0.846 | S | S | * | * | trans | -81.8 | 173.2 | -158.1 | 33.3 | -37.4 | 0 | 0 | 0 | 115.9 | ||||
| 416 | P | 39.9 | Very low | 33.5 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -91.8 | 179.6 | -150.7 | 36.8 | -37.7 | 0 | 0 | 0 | 116.9 | ||||
| 417 | A | 31.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | trans | -79.6 | 160.7 | -160 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 418 | A | 32.3 | Very low | 33.9 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -124.2 | 140 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 419 | A | 37.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -113.9 | 149.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 420 | P | 37.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 150.1 Ų | 150.1 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 146.5 | 166.4 | 29.5 | -21.3 | 0 | 0 | 0 | 112.5 | ||
| 421 | A | 32.7 | Very low | 34.5 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83 | 149.4 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R423 | A421-R423 PolarHBondContact O-N 3.1Š|
| 422 | R | 33.9 | Very low | 34.4 | Very low | 246 Ų | 246 | 140 Ų | 140 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.8 | 158.6 | -70.2 | -178.8 | 172.8 | -154.5 | -0.9 | 109.7 | ||
| 423 | R | 31.2 | Very low | 34.3 | Very low | 246 Ų | 246 | 142.7 Ų | 142.7 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 128.9 | 164.8 | -75.3 | -169.1 | 175.5 | -148.1 | -1.3 | 110.4 | A421 | A421-R423 PolarHBondContact O-N 3.1Š|
| 424 | R | 31.7 | Very low | 34 | Very low | 235 Ų | 235 | 143.8 Ų | 143.8 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 152.3 | 173.4 | -70.7 | -175.2 | 178.2 | -160 | 0.8 | 110.9 | ||
| 425 | I | 34.2 | Very low | 33.8 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 81% | 0.805 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 131.7 | 170.6 | -62.1 | 158.1 | 0 | 0 | 0 | 109.6 | ||
| 426 | P | 34.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 135.8 | 154.5 | -1.4 | 21.6 | 0 | 0 | 0 | 110.2 | ||
| 427 | R | 32.8 | Very low | 33.2 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 142.9 | 164.2 | -69.8 | 174.1 | 168.4 | 167.2 | -5.5 | 108.6 | ||
| 428 | T | 32.6 | Very low | 33 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | 170.3 | 164 | 145.9 | 38.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 429 | P | 40.3 | Very low | 33.1 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 83% | 0.83 | S | S | * | * | -113.5 | 171.1 | -79.5 | 24.9 | -4.1 | 0 | 0 | 0 | 112.1 | |||||
| 430 | A | 34.3 | Very low | 33 | Very low | 97 Ų | 97 | 151.3 Ų | 151.3 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -73 | 136 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 431 | L | 31.1 | Very low | 32.8 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | -127.4 | 119.8 | 160.8 | -132.3 | 85.6 | 0 | 0 | 0 | 108.7 | ||||
| 432 | C | 30.7 | Very low | 32.7 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -82.5 | 130.5 | 170.7 | -70.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 433 | T | 31.2 | Very low | 32.5 | Very low | 129 Ų | 129 | 153.1 Ų | 153.1 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -145.4 | 124.4 | 158.2 | -2.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 434 | L | 32.3 | Very low | 32.4 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -62.3 | 143.5 | 162.1 | -96.6 | 68.8 | 0 | 0 | 0 | 109.2 | ||||
| 435 | L | 29 | Very low | 32.2 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -166.4 | 132.7 | 131.9 | -107.4 | 150.8 | 0 | 0 | 0 | 111.1 | ||||
| 436 | A | 34.7 | Very low | 31.9 | Very low | 89 Ų | 89 | 157.8 Ų | 157.8 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -88.3 | 134.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 437 | L | 30.1 | Very low | 31.7 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | -138.3 | 110.8 | 160.7 | -69.7 | 175.3 | 0 | 0 | 0 | 106.2 | ||||
| 438 | L | 29.3 | Very low | 31.6 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | 59.9 | 111 | 88.7 | -70.7 | 176.2 | 0 | 0 | 0 | 112.6 | |||||
| 439 | A | 33.4 | Very low | 31.4 | Very low | 102 Ų | 102 | 156.2 Ų | 156.2 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -67.5 | 149.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 440 | P | 34.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 157.4 Ų | 157.4 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -131.1 | 156.2 | 133.7 | 23.5 | -5.9 | 0 | 0 | 0 | 113.6 | ||||
| 441 | T | 34.4 | Very low | 30.6 | Very low | 128 Ų | 128 | 163.1 Ų | 163.1 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -70.1 | 150.3 | 177.9 | 50 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 442 | T | 30.3 | Very low | 30.5 | Very low | 136 Ų | 136 | 166 Ų | 166 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | -173.3 | 107.7 | 131 | 27 | 0 | 0 | 0 | 0 | 114 | ||||
| 443 | R | 30.3 | Very low | 30.4 | Very low | 242 Ų | 242 | 167.2 Ų | 167.2 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | 37.7 | 106.7 | 125.1 | -157.6 | -176.5 | -148.2 | -170.2 | 7.5 | 119 | |||||
| 444 | R | 29 | Very low | 30.2 | Very low | 242 Ų | 242 | 171.1 Ų | 171.1 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -147.4 | 124.5 | 144.8 | -118.3 | 178.6 | -168.8 | -142.3 | 2.6 | 115.3 | ||||
| 445 | R | 27.5 | Very low | 30 | Very low | 240 Ų | 240 | 173 Ų | 173 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | 41.4 | 124.6 | 158.8 | -76.5 | -175.5 | 165.4 | -161.9 | -4.9 | 121.5 | ||||
| 446 | R | 27.1 | Very low | 30.2 | Very low | 254 Ų | 254 | 176.2 Ų | 176.2 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | -69.5 | 147.2 | 161 | -66.7 | 175.1 | 171.9 | 171 | -3.9 | 111.3 | ||||
| 447 | S | 29.6 | Very low | 30 | Very low | 101 Ų | 101 | 181.6 Ų | 181.6 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | trans | -98.1 | 155.4 | 164.4 | 62 | 0 | 0 | 0 | 0 | 111.2 | W449 | S447-W449 PolarHBondContact O-N 3.08Š| ||
| 448 | P | 30.7 | Very low | 29.9 | Very low | 117 Ų | 117 | 178.9 Ų | 178.9 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -95 | 84.4 | -170.9 | 36.2 | -34 | 0 | 0 | 0 | 113 | ||
| 449 | W | 29.6 | Very low | 29.9 | Very low | 240 Ų | 240 | 184.4 Ų | 184.4 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -137.7 | 73.1 | 166.8 | -76.6 | 100.6 | 0 | 0 | 0 | 111.9 | S447 | S447-W449 PolarHBondContact O-N 3.08Š| ||
| 450 | T | 29 | Very low | 29.6 | Very low | 140 Ų | 140 | 184 Ų | 184 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | trans | -135.4 | 87.2 | 170.6 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 451 | R | 29.3 | Very low | 29.5 | Very low | 218 Ų | 218 | 182.9 Ų | 182.9 | 82% | 0.823 | 84% | 0.836 | S | S | * | * | trans | -166.1 | 111.7 | 156.1 | -136.9 | -179.4 | -80 | -161.3 | -2.3 | 104.2 | ||||
| 452 | Y | 27.5 | Very low | 29.4 | Very low | 217 Ų | 217 | 182.8 Ų | 182.8 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | cis | -136.9 | 159.9 | 32.2 | -81.5 | -104.8 | 0 | 0 | 0 | 112.6 | ||||
| 453 | Q | 28.9 | Very low | 29.3 | Very low | 154 Ų | 154 | 184.6 Ų | 184.6 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | trans | -121.5 | 162.7 | 165.5 | -73.3 | -170.5 | -32.4 | 0 | 0 | 111.2 | ||||
| 454 | W | 28.5 | Very low | 29.5 | Very low | 211 Ų | 211 | 184.9 Ų | 184.9 | 80% | 0.799 | 84% | 0.843 | S | S | * | * | trans | 73.7 | 124 | 166.7 | -52.1 | 101.7 | 0 | 0 | 0 | 116 | ||||
| 455 | R | 27.6 | Very low | 29.9 | Very low | 203 Ų | 203 | 178.4 Ų | 178.4 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | cis | -148.6 | 145 | 48.1 | -77.3 | 176.1 | 166.2 | -138.5 | -5.9 | 114.3 | ||||
| 456 | R | 32.5 | Very low | 30.8 | Very low | 237 Ų | 237 | 172.3 Ų | 172.3 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | -80.3 | 136.8 | 151.3 | -67.8 | -177.3 | 178.2 | -153.5 | 0.6 | 109.2 | ||||
| 457 | R | 30.3 | Very low | 31.1 | Very low | 202 Ų | 202 | 169.7 Ų | 169.7 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -161.1 | 112.4 | 153.5 | -99.1 | 159.8 | -160.3 | -119.4 | -0.6 | 105 | ||||
| 458 | A | 28.4 | Very low | 31.1 | Very low | 93 Ų | 93 | 168.6 Ų | 168.6 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | 66.2 | 98.9 | 85.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A460 | A458-A460 PolarHBondContact O-N 3.03Š| |||
| 459 | W | 29 | Very low | 31.1 | Very low | 270 Ų | 270 | 167.3 Ų | 167.3 | 100% | 1.023 | 83% | 0.826 | S | S | * | * | trans | -74.4 | 115.9 | 172.9 | -74.7 | 80.4 | 0 | 0 | 0 | 109.1 | ||||
| 460 | A | 27.4 | Very low | 31.1 | Very low | 93 Ų | 93 | 167.8 Ų | 167.8 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -136.9 | 124.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | A458 | A458-A460 PolarHBondContact O-N 3.03Š| ||
| 461 | A | 33.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 165.2 Ų | 165.2 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 138.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 462 | P | 31.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 164.2 Ų | 164.2 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 127.6 | 168.1 | 30.9 | -24 | 0 | 0 | 0 | 111.3 | ||
| 463 | L | 28.1 | Very low | 31.6 | Very low | 174 Ų | 174 | 159 Ų | 159 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 153.6 | 165.4 | -73.9 | 152.6 | 0 | 0 | 0 | 110.6 | ||
| 464 | W | 34.9 | Very low | 32.4 | Very low | 247 Ų | 247 | 156.5 Ų | 156.5 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 136 | 176.6 | -148.7 | -81.8 | 0 | 0 | 0 | 110.5 | ||
| 465 | P | 36.8 | Very low | 32.5 | Very low | 107 Ų | 107 | 157 Ų | 157 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 164.7 | 175.2 | 34.4 | -32.9 | 0 | 0 | 0 | 113.1 | ||
| 466 | P | 46.2 | Very low | 32.6 | Very low | 112 Ų | 112 | 158.9 Ų | 158.9 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | -111.4 | 169.6 | -151 | 41.1 | -35.4 | 0 | 0 | 0 | 115.8 | ||||
| 467 | H | 33.3 | Very low | 32.6 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -156.6 | 117.3 | 153.7 | -104.1 | -76.2 | 0 | 0 | 0 | 113.3 | ||||
| 468 | G | 30 | Very low | 32.5 | Very low | 78 Ų | 78 | 148.6 Ų | 148.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 69.1 | 147.4 | 159 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 469 | A | 30.2 | Very low | 32.7 | Very low | 90 Ų | 90 | 155.7 Ų | 155.7 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | cis | -165.2 | 155.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 470 | R | 30.4 | Very low | 32.8 | Very low | 250 Ų | 250 | 154.3 Ų | 154.3 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | 64.2 | 152 | 171.1 | -59 | -178.4 | -169.7 | -146.7 | 1.8 | 116 | ||||
| 471 | A | 32.4 | Very low | 33.3 | Very low | 85 Ų | 85 | 156.5 Ų | 156.5 | 70% | 0.702 | 83% | 0.825 | S | S | * | * | cis | -161.3 | 178.8 | -23.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 472 | E | 32.6 | Very low | 33.6 | Very low | 198 Ų | 198 | 162.4 Ų | 162.4 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | 76.2 | 119.9 | 169.1 | -53.6 | -168.1 | 169.5 | 0 | 0 | 118.4 | ||||
| 473 | S | 30.6 | Very low | 34 | Very low | 108 Ų | 108 | 162.1 Ų | 162.1 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | trans | -104.7 | 160.1 | 162.6 | 77 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 474 | P | 45.9 | Very low | 35.2 | Very low | 100 Ų | 100 | 159.7 Ų | 159.7 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | -157 | 145.9 | 73.8 | 37.2 | -16.4 | 0 | 0 | 0 | 118.4 | |||||
| 475 | R | 30.1 | Very low | 35.6 | Very low | 222 Ų | 222 | 157.9 Ų | 157.9 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | 64.1 | 143.4 | 149.1 | -57.5 | 167.7 | -163.4 | -136.5 | 2.2 | 115.2 | ||||
| 476 | W | 31.4 | Very low | 35.7 | Very low | 242 Ų | 242 | 161.8 Ų | 161.8 | 92% | 0.917 | 85% | 0.848 | S | S | * | * | -153.8 | 177.5 | 56.4 | -90.9 | 83.5 | 0 | 0 | 0 | 113.7 | |||||
| 477 | S | 31 | Very low | 35.1 | Very low | 98 Ų | 98 | 164.3 Ų | 164.3 | 69% | 0.685 | 85% | 0.854 | S | S | * | * | trans | -76 | 145 | -160.3 | 55.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 478 | C | 28.3 | Very low | 35.2 | Very low | 125 Ų | 125 | 162.5 Ų | 162.5 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | -69.1 | 143.4 | 154.2 | -76 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 479 | R | 32.7 | Very low | 35.5 | Very low | 243 Ų | 243 | 167.2 Ų | 167.2 | 92% | 0.917 | 85% | 0.853 | S | S | * | * | trans | -125.3 | 122.6 | 147.5 | -97.3 | -172 | -175.7 | -137.9 | 1.5 | 109.6 | ||||
| 480 | R | 31.9 | Very low | 35.8 | Very low | 241 Ų | 241 | 171.7 Ų | 171.7 | 91% | 0.909 | 86% | 0.859 | S | S | * | * | trans | -84.1 | 143.8 | 162.1 | -61.7 | -179 | -163 | -169.4 | 5 | 108.2 | ||||
| 481 | V | 37.4 | Very low | 36.2 | Very low | 139 Ų | 139 | 166.8 Ų | 166.8 | 84% | 0.842 | 85% | 0.854 | S | S | * | * | trans | -119.9 | 131.3 | 159.8 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 482 | R | 38.8 | Very low | 36.4 | Very low | 226 Ų | 226 | 172.3 Ų | 172.3 | 85% | 0.853 | 86% | 0.864 | S | S | * | * | trans | -84.9 | 150.9 | 172.1 | -73.1 | -177.8 | 177.5 | 179.4 | -0.7 | 109.2 | ||||
| 483 | P | 41.8 | Very low | 36.7 | Very low | 121 Ų | 121 | 170.4 Ų | 170.4 | 79% | 0.786 | 86% | 0.859 | S | S | * | * | trans | -80.1 | 155.9 | 171 | 35.1 | -34.9 | 0 | 0 | 0 | 111.4 | ||||
| 484 | P | 52.3 | Low | 37.2 | Very low | 122 Ų | 122 | 175.2 Ų | 175.2 | 79% | 0.792 | 87% | 0.867 | S | S | * | * | trans | -108.1 | 160.2 | 152.3 | 35.4 | -26.2 | 0 | 0 | 0 | 112.2 | ||||
| 485 | F | 44 | Very low | 36.5 | Very low | 210 Ų | 210 | 181.5 Ų | 181.5 | 92% | 0.921 | 89% | 0.886 | S | S | * | * | trans | -58.1 | 142.1 | 177.3 | -72 | -110.1 | 0 | 0 | 0 | 114.5 | ||||
| 486 | S | 37.7 | Very low | 37 | Very low | 189 Ų | 189 | 177.8 Ų | 177.8 | 100% | 1.322 | 89% | 0.89 | S | S | * | * | -167.6 | 0 | 120 | 62.6 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 486 of 486 residues in 1494.5 ms
(Link to these results)