| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.4 | Very low | 41.8 | Very low | 224 Ų | 224 | 146 Ų | 146 | 100% | 1.103 | 80% | 0.797 | S | S | * | * | 0 | 129.8 | 0 | -74 | 170.3 | 135.3 | 0 | 0 | 108 | |||||
| 2 | H | 40.4 | Very low | 42.9 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 60.3 | 147.9 | 172.3 | -59.9 | -63.8 | 0 | 0 | 0 | 117.6 | ||||
| 3 | R | 36.7 | Very low | 43.2 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | cis | -163.9 | 141.4 | -25.5 | -163.6 | -175.1 | -179.4 | 159.7 | -2.8 | 106.1 | ||||
| 4 | A | 47.4 | Very low | 42.5 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 173.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | P | 53.1 | Low | 41.8 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -150.7 | 174.9 | 47.9 | 42 | -20.8 | 0 | 0 | 0 | 118 | ||||
| 6 | S | 41.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -89.8 | 154.8 | 155.7 | -45.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | P | 51.7 | Low | 41.1 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | -136.6 | 137.1 | 128.3 | 12.1 | 10.5 | 0 | 0 | 0 | 112.7 | |||||
| 8 | T | 40.9 | Very low | 41 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | 58.9 | 140.7 | 94.9 | 5.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 9 | A | 39.4 | Very low | 40.8 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 59% | 0.587 | 81% | 0.808 | S | S | * | * | cis | -160.6 | 167.9 | 11.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | E | 32.7 | Very low | 40.9 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 56.2 | 154.4 | 147.4 | -70.8 | -176.5 | 105.5 | 0 | 0 | 122.2 | ||||
| 11 | Q | 40.7 | Very low | 40.8 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | cis | -160.8 | 174.9 | -30.8 | -121.4 | -148.6 | -19.5 | 0 | 0 | 108.2 | ||||
| 12 | P | 55.3 | Low | 41 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | trans | -94.5 | 175.5 | -163.6 | 43 | -41.6 | 0 | 0 | 0 | 114.5 | ||||
| 13 | P | 47.1 | Very low | 40.7 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -131.4 | 174.8 | 79.2 | 23 | -2 | 0 | 0 | 0 | 111.9 | |||||
| 14 | G | 32.7 | Very low | 40.6 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | 141.5 | 138 | 6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 15 | G | 33 | Very low | 40.2 | Very low | 90 Ų | 90 | 134 Ų | 134 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | 87.9 | 118.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 16 | G | 36.3 | Very low | 39.4 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -115.6 | 161.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | E | 34.3 | Very low | 39.2 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 95% | 0.949 | 80% | 0.803 | S | S | * | * | trans | -152.4 | 160 | 154.4 | -125.6 | -170.7 | 117.3 | 0 | 0 | 112 | ||||
| 18 | S | 39.7 | Very low | 38.8 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -94 | 116.9 | -166 | -170.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 19 | A | 37.7 | Very low | 38.8 | Very low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -144.8 | 113.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R21 | A19-R21 PolarHBondContact O-N 3.41Š| ||
| 20 | R | 42.8 | Very low | 38.7 | Very low | 243 Ų | 243 | 148.1 Ų | 148.1 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -40.9 | 127.2 | 173 | -67.2 | 169.3 | 165.2 | 177.9 | -5.5 | 113 | ||||
| 21 | R | 38.8 | Very low | 39.1 | Very low | 244 Ų | 244 | 144 Ų | 144 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -122.9 | 100.9 | 154.4 | -75.1 | -170.8 | -178.8 | 154.3 | 4.3 | 110.9 | A19 L23 | A19-R21 PolarHBondContact O-N 3.41Å; R21-L23 PolarHBondContact O-N 3.01Å | ||
| 22 | T | 38.4 | Very low | 39.3 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -45.7 | 123.3 | 170.4 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | Q24 | T22-Q24 PolarHBondContact O-N 3.39Š| ||
| 23 | L | 35.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -64.2 | 101.6 | 161.3 | -74.3 | 164.7 | 0 | 0 | 0 | 108 | R21 P25 | R21-L23 PolarHBondContact O-N 3.01Å; L23-P25 VanDerWaalsContact O-CD 3.32Å; L23-P25 WeakPolarHBondContact O-CD 3.32Å | ||
| 24 | Q | 34.3 | Very low | 39.1 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -62.9 | 119.8 | 170.3 | -81.8 | -80.4 | 17.9 | 0 | 0 | 108.9 | T22 R26 | T22-Q24 PolarHBondContact O-N 3.39Å; Q24-R26 PolarHBondContact O-N 3.39Å | ||
| 25 | P | 39 | Very low | 40.5 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 132.4 | 169 | -16.7 | 31 | 0 | 0 | 0 | 108.5 | L23 L27 | L23-P25 VanDerWaalsContact O-CD 3.32Å; L23-P25 WeakPolarHBondContact O-CD 3.32Å; P25-L27 VanDerWaalsContact C-N 3.35Å; P25-L27 PolarHBondContact O-N 2.83Å | ||
| 26 | R | 35.3 | Very low | 42.4 | Very low | 252 Ų | 252 | 143.5 Ų | 143.5 | 95% | 0.951 | 77% | 0.769 | S | S | * | * | trans | -66.7 | 96.2 | 176.4 | -162.3 | 176.8 | -173.1 | 179.6 | 1.8 | 108.6 | Q24 K28 | Q24-R26 PolarHBondContact O-N 3.39Å; R26-K28 PolarHBondContact O-N 2.99Å | ||
| 27 | L | 38.6 | Very low | 44.5 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -57.7 | 122.9 | -176.5 | -70.7 | 171.1 | 0 | 0 | 0 | 109.9 | P25 | P25-L27 VanDerWaalsContact C-N 3.35Å; P25-L27 PolarHBondContact O-N 2.83Å | ||
| 28 | K | 43.3 | Very low | 46.7 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | -61.5 | 131.4 | 168.2 | -61.3 | 173 | -179.4 | 177.8 | 0 | 107.8 | R26 S30 | R26-K28 PolarHBondContact O-N 2.99Å; K28-S30 PolarHBondContact O-N 3.23Å | ||
| 29 | P | 39.2 | Very low | 49.1 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | trans | -60.6 | 109.6 | 171.6 | -23.2 | 34.4 | 0 | 0 | 0 | 110 | ||||
| 30 | S | 38.9 | Very low | 51.3 | Low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -76.7 | 152.1 | 168.7 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | K28 | K28-S30 PolarHBondContact O-N 3.23Š| ||
| 31 | A | 41 | Very low | 53.5 | Low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | 55.7 | 84.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A33 | A31-A33 PolarHBondContact O-N 3.04Š| ||
| 32 | R | 43.4 | Very low | 56.1 | Low | 189 Ų | 189 | 119.4 Ų | 119.4 | 71% | 0.713 | 63% | 0.632 | S | S | * | * | trans | -59.3 | 108.7 | 158.3 | -174.2 | 177.4 | -175.3 | 157.5 | 3.5 | 107.4 | M34 E59 | R32-M34 PolarHBondContact O-N 3.48Å; R32-E59 IonicContact CZ-OE2 2.84Å; R32-E59 IonicContact NE-OE2 2.94Å; R32-E59 PolarHBondContact NE-OE2 3.01Å; R32-E59 IonicContact NH2-OE2 3.32Å; R32-E59 PolarHBondContact NH2-OE2 2.77Å | ||
| 33 | A | 44.1 | Very low | 58.6 | Low | 86 Ų | 86 | 117.3 Ų | 117.3 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 123.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | A31 A35 | A31-A33 PolarHBondContact O-N 3.04Å; A33-A35 PolarHBondContact O-N 3.21Å |
| 34 | M | 54.2 | Low | 61.2 | Low | 102 Ų | 102 | 112.5 Ų | 112.5 | 50% | 0.502 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 121.8 | 172.3 | -66.8 | -93.1 | -73.5 | 0 | 0 | 107.3 | R32 L36 Y46 L55 | R32-M34 PolarHBondContact O-N 3.48Å; M34-L36 PolarHBondContact O-N 3.5Å; M34-L36 VanDerWaalsContact O-N 3.09Å; M34-Y46 HydrophobicContact CE-CE2 3.88Å; M34-L55 HydrophobicContact CE-CB 4.36Å; M34-L55 HydrophobicContact CE-CD1 4.22Å |
| 35 | A | 63 | Low | 64.1 | Low | 37 Ų | 37 | 104.9 Ų | 104.9 | 31% | 0.306 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 120.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A33 Y58 E59 | A33-A35 PolarHBondContact O-N 3.21Å; A35-Y58 HydrophobicContact CB-CE1 4.35Å; A35-Y58 WeakPolarHBondContact O-CE1 3.5Å; A35-E59 WeakPolarHBondContact CB-OE1 3.29Å; A35-E59 PolarHBondContact N-OE1 3.45Å |
| 36 | L | 72.4 | Confident | 66.7 | Low | 146 Ų | 146 | 102.5 Ų | 102.5 | 76% | 0.764 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -72 | 133 | 177 | -160.7 | 74.3 | 0 | 0 | 0 | 108.1 | M34 R38 | M34-L36 PolarHBondContact O-N 3.5Å; M34-L36 VanDerWaalsContact O-N 3.09Å; L36-R38 WeakPolarHBondContact O-CG 3.17Å; L36-R38 PolarHBondContact O-N 2.95Å |
| 37 | P | 80.7 | Confident | 69.4 | Low | 31 Ų | 31 | 93.5 Ų | 93.5 | 20% | 0.201 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 127.4 | -179.8 | -28.7 | 35.3 | 0 | 0 | 0 | 113 | E42 L43 Y46 Y58 | P37-E42 WeakPolarHBondContact CA-OE2 3.45Å; P37-E42 HydrophobicContact CB-CB 4.06Å; P37-L43 HydrophobicContact CB-CB 3.94Å; P37-L43 HydrophobicContact CB-CD1 4.13Å; P37-L43 HydrophobicContact CG-CD1 4.16Å; P37-Y46 HydrophobicContact CG-CD1 4.33Å; P37-Y46 HydrophobicContact CG-CD2 3.85Å; P37-Y46 HydrophobicContact CG-CG 3.71Å; P37-Y58 WeakPolarHBondContact CA-OH 3.35Å |
| 38 | R | 81.5 | Confident | 72.1 | Confident | 219 Ų | 219 | 86.3 Ų | 86.3 | 83% | 0.826 | 46% | 0.461 | S | S | * | . | trans | -102.8 | -32.5 | -175.4 | -55.1 | -176.9 | 176 | -122.3 | -0.3 | 113 | L36 E42 | L36-R38 WeakPolarHBondContact O-CG 3.17Å; L36-R38 PolarHBondContact O-N 2.95Å; R38-E42 PolarHBondContact N-OE2 2.89Å | ||
| 39 | T | 88.2 | Confident | 74.5 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -107.5 | 167.6 | 176.9 | 76.1 | 0 | 0 | 0 | 0 | 111.6 | G41 E42 L43 D67 | T39-G41 PolarHBondContact OG1-N 2.68Å; T39-E42 WeakPolarHBondContact OG1-CB 3.42Å; T39-E42 WeakPolarHBondContact OG1-CG 3.47Å; T39-E42 PolarHBondContact OG1-N 3.3Å; T39-L43 WeakPolarHBondContact O-CB 3.41Å; T39-L43 PolarHBondContact O-N 3.28Å; T39-L43 VanDerWaalsContact O-N 3.08Å; T39-D67 PolarHBondContact OG1-OD2 3.02Å; T39-D67 VanDerWaalsContact OG1-OD2 3.13Å |
| 40 | L | 85.8 | Confident | 77.1 | Confident | 125 Ų | 125 | 74 Ų | 74 | 65% | 0.654 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.9 | -39.1 | 172.9 | -179.1 | 61.1 | 0 | 0 | 0 | 111.6 | L43 Q44 | L40-L43 PolarHBondContact O-N 3.13Å; L40-Q44 VanDerWaalsContact O-CG 3.31Å; L40-Q44 WeakPolarHBondContact O-CG 3.47Å; L40-Q44 PolarHBondContact O-N 3.36Å |
| 41 | G | 88.9 | Confident | 79.6 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.7 | -52.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T39 L43 Q44 L45 D67 | T39-G41 PolarHBondContact OG1-N 2.68Å; G41-L43 PolarHBondContact O-N 3.39Å; G41-L43 VanDerWaalsContact O-N 3.16Å; G41-Q44 PolarHBondContact O-N 3.03Å; G41-L45 WeakPolarHBondContact O-CB 3.37Å; G41-L45 PolarHBondContact O-N 3.29Å; G41-D67 CarbonylContact C-O 3.09Å; G41-D67 WeakPolarHBondContact CA-O 3.41Å |
| 42 | E | 92.6 | Very high | 82.1 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -49.3 | -44.4 | 172.5 | -81.6 | -176.5 | -132.8 | 0 | 0 | 111.9 | P37 R38 T39 Y46 Y58 I62 D67 | P37-E42 WeakPolarHBondContact CA-OE2 3.45Å; P37-E42 HydrophobicContact CB-CB 4.06Å; R38-E42 PolarHBondContact N-OE2 2.89Å; T39-E42 WeakPolarHBondContact OG1-CB 3.42Å; T39-E42 WeakPolarHBondContact OG1-CG 3.47Å; T39-E42 PolarHBondContact OG1-N 3.3Å; E42-Y46 WeakPolarHBondContact O-CB 3.47Å; E42-Y46 PolarHBondContact O-N 3.49Å; E42-Y58 WeakPolarHBondContact O-CE2 3.24Å; E42-Y58 PolarHBondContact OE2-OH 3.32Å; E42-I62 HydrophobicContact CB-CD1 4.4Å; E42-I62 HydrophobicContact CG-CD1 3.69Å; E42-I62 HydrophobicContact CG-CG1 4.2Å; E42-I62 HydrophobicContact CG-CG2 4.37Å; E42-D67 HydrophobicContact CG-CB 4.16Å |
| 43 | L | 90.3 | Very high | 84.6 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.8 | -41 | 179.6 | -178.4 | 62.6 | 0 | 0 | 0 | 112.5 | P37 T39 L40 G41 Y46 R47 | P37-L43 HydrophobicContact CB-CB 3.94Å; P37-L43 HydrophobicContact CB-CD1 4.13Å; P37-L43 HydrophobicContact CG-CD1 4.16Å; T39-L43 WeakPolarHBondContact O-CB 3.41Å; T39-L43 PolarHBondContact O-N 3.28Å; T39-L43 VanDerWaalsContact O-N 3.08Å; L40-L43 PolarHBondContact O-N 3.13Å; G41-L43 PolarHBondContact O-N 3.39Å; G41-L43 VanDerWaalsContact O-N 3.16Å; L43-Y46 PolarHBondContact O-N 3.22Å; L43-R47 VanDerWaalsContact O-CG 3.27Å; L43-R47 WeakPolarHBondContact O-CG 3.34Å; L43-R47 PolarHBondContact O-N 3.09Å |
| 44 | Q | 91.5 | Very high | 87.1 | Confident | 64 Ų | 64 | 62.7 Ų | 62.7 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 175.3 | -72.7 | 173.1 | -4.6 | 0 | 0 | 110.6 | L40 G41 Y46 R47 V48 V69 | L40-Q44 VanDerWaalsContact O-CG 3.31Å; L40-Q44 WeakPolarHBondContact O-CG 3.47Å; L40-Q44 PolarHBondContact O-N 3.36Å; G41-Q44 PolarHBondContact O-N 3.03Å; Q44-Y46 PolarHBondContact O-N 2.92Å; Q44-R47 WeakPolarHBondContact O-CB 3.48Å; Q44-R47 PolarHBondContact O-N 3.19Å; Q44-R47 VanDerWaalsContact O-N 3.15Å; Q44-V48 WeakPolarHBondContact O-CG2 3.48Å; Q44-V48 PolarHBondContact O-N 3.02Å; Q44-V69 HydrophobicContact CB-CG2 3.76Å |
| 45 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 175.6 | -177.6 | 82.1 | 0 | 0 | 0 | 111 | G41 R47 V48 L49 Y58 F61 I62 G66 V69 L72 | G41-L45 WeakPolarHBondContact O-CB 3.37Å; G41-L45 PolarHBondContact O-N 3.29Å; L45-R47 VanDerWaalsContact C-N 3.25Å; L45-R47 PolarHBondContact O-N 2.93Å; L45-V48 PolarHBondContact O-N 3.37Å; L45-V48 VanDerWaalsContact O-N 3.14Å; L45-L49 HydrophobicContact CD1-CD1 4.27Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CD2-CD1 4.01Å; L45-L49 HydrophobicContact CG-CD1 3.82Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CB 3.2Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.2Å; L45-Y58 HydrophobicContact CD2-CD2 4.15Å; L45-Y58 HydrophobicContact CD2-CE2 4.35Å; L45-F61 HydrophobicContact CD1-CD1 4.43Å; L45-F61 HydrophobicContact CD1-CG 4.4Å; L45-F61 HydrophobicContact CD2-CB 3.54Å; L45-F61 HydrophobicContact CD2-CG 4.07Å; L45-I62 HydrophobicContact CD2-CD1 3.51Å; L45-G66 WeakPolarHBondContact CD2-O 3.38Å; L45-V69 HydrophobicContact CB-CG2 3.91Å; L45-V69 HydrophobicContact CD1-CG2 4.38Å; L45-V69 VanDerWaalsContact N-CG2 3.33Å; L45-L72 HydrophobicContact CD1-CD1 3.63Å |
| 46 | Y | 93.7 | Very high | 90.5 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 18% | 0.18 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.3 | -42.1 | 176.6 | -175.8 | -86.6 | 0 | 0 | 0 | 111.3 | M34 P37 E42 L43 Q44 Q50 L55 Y58 | M34-Y46 HydrophobicContact CE-CE2 3.88Å; P37-Y46 HydrophobicContact CG-CD1 4.33Å; P37-Y46 HydrophobicContact CG-CD2 3.85Å; P37-Y46 HydrophobicContact CG-CG 3.71Å; E42-Y46 WeakPolarHBondContact O-CB 3.47Å; E42-Y46 PolarHBondContact O-N 3.49Å; L43-Y46 PolarHBondContact O-N 3.22Å; Q44-Y46 PolarHBondContact O-N 2.92Å; Y46-Q50 WeakPolarHBondContact O-CB 3.14Å; Y46-Q50 PolarHBondContact O-N 3.07Å; Y46-L55 HydrophobicContact CD1-CD2 4.4Å; Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE1-CD2 4.24Å; Y46-L55 HydrophobicContact CE2-CD2 3.6Å; Y46-L55 HydrophobicContact CG-CD2 4.16Å; Y46-Y58 HydrophobicContact CD2-CD1 4.15Å; Y46-Y58 AromaticContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CE1 4.17Å; Y46-Y58 AromaticContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CG 4.02Å; Y46-Y58 HydrophobicContact CG-CD2 4.46Å; Y46-Y58 HydrophobicContact CG-CE2 4.31Å |
| 47 | R | 92.7 | Very high | 91.5 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 176.7 | -69.6 | -69.3 | -170.8 | -150.7 | 1.2 | 112.8 | L43 Q44 L45 Q50 R51 F113 | L43-R47 VanDerWaalsContact O-CG 3.27Å; L43-R47 WeakPolarHBondContact O-CG 3.34Å; L43-R47 PolarHBondContact O-N 3.09Å; Q44-R47 WeakPolarHBondContact O-CB 3.48Å; Q44-R47 PolarHBondContact O-N 3.19Å; Q44-R47 VanDerWaalsContact O-N 3.15Å; L45-R47 VanDerWaalsContact C-N 3.25Å; L45-R47 PolarHBondContact O-N 2.93Å; R47-Q50 PolarHBondContact O-N 2.99Å; R47-R51 WeakPolarHBondContact O-CB 3.48Å; R47-R51 PolarHBondContact O-N 2.93Å; R47-F113 HydrophobicContact CB-CB 4.23Å; R47-F113 HydrophobicContact CB-CD1 4.32Å; R47-F113 WeakPolarHBondContact CG-O 3.25Å |
| 48 | V | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | Q44 L45 Q50 R51 A52 V69 L99 A102 L103 W106 F113 | Q44-V48 WeakPolarHBondContact O-CG2 3.48Å; Q44-V48 PolarHBondContact O-N 3.02Å; L45-V48 PolarHBondContact O-N 3.37Å; L45-V48 VanDerWaalsContact O-N 3.14Å; V48-Q50 PolarHBondContact O-N 3.37Å; V48-R51 PolarHBondContact O-N 3.49Å; V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 3.44Å; V48-V69 HydrophobicContact CG2-CG1 3.96Å; V48-L99 HydrophobicContact CG1-CD1 4.09Å; V48-A102 HydrophobicContact CG1-CB 3.95Å; V48-L103 HydrophobicContact CG1-CD2 3.98Å; V48-L103 HydrophobicContact CG1-CG 4.28Å; V48-W106 HydrophobicContact CG2-CB 3.99Å; V48-W106 HydrophobicContact CG2-CG 3.83Å; V48-F113 HydrophobicContact CB-CE1 4.48Å; V48-F113 HydrophobicContact CG2-CD1 3.97Å; V48-F113 HydrophobicContact CG2-CE1 3.98Å |
| 49 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -35.3 | 177.5 | -66.5 | 175.8 | 0 | 0 | 0 | 112.4 | L45 A52 N53 L54 L55 Y58 F61 L99 | L45-L49 HydrophobicContact CD1-CD1 4.27Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CD2-CD1 4.01Å; L45-L49 HydrophobicContact CG-CD1 3.82Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CB 3.2Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.2Å; L49-A52 PolarHBondContact O-N 2.96Å; L49-N53 PolarHBondContact O-N 2.84Å; L49-N53 VanDerWaalsContact O-N 3.07Å; L49-L54 HydrophobicContact CD2-CB 3.82Å; L49-L54 PolarHBondContact O-N 2.9Å; L49-L55 HydrophobicContact CB-CD2 4.2Å; L49-Y58 HydrophobicContact CD1-CD2 4.22Å; L49-F61 HydrophobicContact CD1-CD2 3.79Å; L49-F61 HydrophobicContact CD1-CE2 4.25Å; L49-F61 HydrophobicContact CD2-CD2 4.26Å; L49-F61 HydrophobicContact CD2-CE2 3.87Å; L49-L99 HydrophobicContact CD2-CD1 3.94Å |
| 50 | Q | 93.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 171.7 | -176 | 173.2 | 26.8 | 0 | 0 | 111 | Y46 R47 V48 N53 L55 | Y46-Q50 WeakPolarHBondContact O-CB 3.14Å; Y46-Q50 PolarHBondContact O-N 3.07Å; R47-Q50 PolarHBondContact O-N 2.99Å; V48-Q50 PolarHBondContact O-N 3.37Å; Q50-N53 PolarHBondContact O-N 2.89Å; Q50-N53 VanDerWaalsContact O-N 3.12Å; Q50-L55 HydrophobicContact CB-CD1 4.13Å; Q50-L55 HydrophobicContact CB-CD2 4.07Å; Q50-L55 HydrophobicContact CB-CG 4.2Å; Q50-L55 HydrophobicContact CG-CD1 4.16Å |
| 51 | R | 90.3 | Very high | 93.5 | Very high | 112 Ų | 112 | 40.7 Ų | 40.7 | 42% | 0.423 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.1 | -33.4 | -179.2 | -158.8 | -176.5 | -175 | 91.2 | -1.3 | 112.6 | R47 V48 N53 E105 F113 | R47-R51 WeakPolarHBondContact O-CB 3.48Å; R47-R51 PolarHBondContact O-N 2.93Å; V48-R51 PolarHBondContact O-N 3.49Å; R51-N53 PolarHBondContact O-N 3.43Å; R51-E105 IonicContact NE-OE2 3.85Å; R51-E105 PolarHBondContact NE-OE2 2.67Å; R51-F113 HydrophobicContact CB-CD1 4.47Å; R51-F113 HydrophobicContact CB-CE1 3.88Å; R51-F113 HydrophobicContact CG-CE1 4.21Å |
| 52 | A | 94.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.1 | -12.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V48 L49 L54 R98 A102 | V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 3.44Å; L49-A52 PolarHBondContact O-N 2.96Å; A52-L54 HydrophobicContact CB-CB 4.21Å; A52-L54 HydrophobicContact CB-CD1 3.71Å; A52-L54 HydrophobicContact CB-CG 3.85Å; A52-R98 PolarHBondContact O-NH1 3.03Å; A52-A102 HydrophobicContact CB-CB 3.79Å |
| 53 | N | 94.9 | Very high | 93.9 | Very high | 124 Ų | 124 | 48.7 Ų | 48.7 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 51.5 | -166.9 | -172.5 | 34.6 | 0 | 0 | 0 | 112.6 | L49 Q50 R51 R98 | L49-N53 PolarHBondContact O-N 2.84Å; L49-N53 VanDerWaalsContact O-N 3.07Å; Q50-N53 PolarHBondContact O-N 2.89Å; Q50-N53 VanDerWaalsContact O-N 3.12Å; R51-N53 PolarHBondContact O-N 3.43Å; N53-R98 PolarHBondContact O-NH1 2.9Å |
| 54 | L | 96.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -128.3 | 19.9 | -177.4 | -65.8 | 176.6 | 0 | 0 | 0 | 112.7 | L49 A52 S56 Y57 H95 R98 L99 | L49-L54 HydrophobicContact CD2-CB 3.82Å; L49-L54 PolarHBondContact O-N 2.9Å; A52-L54 HydrophobicContact CB-CB 4.21Å; A52-L54 HydrophobicContact CB-CD1 3.71Å; A52-L54 HydrophobicContact CB-CG 3.85Å; L54-S56 PolarHBondContact O-N 2.92Å; L54-Y57 HydrophobicContact CB-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CE2 4.23Å; L54-Y57 WeakPolarHBondContact O-CB 3.3Å; L54-Y57 PolarHBondContact O-N 3.24Å; L54-H95 WeakPolarHBondContact CD1-O 3.38Å; L54-H95 HydrophobicContact CD2-CB 3.82Å; L54-R98 HydrophobicContact CD1-CB 4.26Å; L54-L99 HydrophobicContact CD1-CB 3.75Å | ||
| 55 | L | 94.6 | Very high | 93.9 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -55.2 | -22.6 | -179.8 | -75.4 | 174.9 | 0 | 0 | 0 | 114.6 | M34 Y46 L49 Q50 Y57 Y58 | M34-L55 HydrophobicContact CE-CB 4.36Å; M34-L55 HydrophobicContact CE-CD1 4.22Å; Y46-L55 HydrophobicContact CD1-CD2 4.4Å; Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE1-CD2 4.24Å; Y46-L55 HydrophobicContact CE2-CD2 3.6Å; Y46-L55 HydrophobicContact CG-CD2 4.16Å; L49-L55 HydrophobicContact CB-CD2 4.2Å; Q50-L55 HydrophobicContact CB-CD1 4.13Å; Q50-L55 HydrophobicContact CB-CD2 4.07Å; Q50-L55 HydrophobicContact CB-CG 4.2Å; Q50-L55 HydrophobicContact CG-CD1 4.16Å; L55-Y57 PolarHBondContact O-N 2.93Å; L55-Y57 VanDerWaalsContact O-N 3.12Å; L55-Y58 VanDerWaalsContact O-CB 3.25Å; L55-Y58 WeakPolarHBondContact O-CB 3.24Å; L55-Y58 PolarHBondContact O-N 3.3Å |
| 56 | S | 94.1 | Very high | 93.8 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 69% | 0.685 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -58.1 | -21.6 | 172 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | L54 | L54-S56 PolarHBondContact O-N 2.92Š|
| 57 | Y | 95.2 | Very high | 93.7 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 7% | 0.071 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -97 | -5.6 | 179.2 | -64.5 | -83.7 | 0 | 0 | 0 | 113.5 | L54 L55 E59 T60 F61 V87 M89 K92 H95 | L54-Y57 HydrophobicContact CB-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CE2 4.23Å; L54-Y57 WeakPolarHBondContact O-CB 3.3Å; L54-Y57 PolarHBondContact O-N 3.24Å; L55-Y57 PolarHBondContact O-N 2.93Å; L55-Y57 VanDerWaalsContact O-N 3.12Å; Y57-E59 PolarHBondContact O-N 3.48Å; Y57-T60 VanDerWaalsContact C-OG1 3.31Å; Y57-T60 VanDerWaalsContact CA-OG1 3.28Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.38Å; Y57-T60 PolarHBondContact O-N 3.24Å; Y57-T60 VanDerWaalsContact O-N 3.15Å; Y57-T60 PolarHBondContact O-OG1 3.04Å; Y57-F61 WeakPolarHBondContact O-CD2 3.17Å; Y57-F61 PolarHBondContact O-N 3.45Å; Y57-V87 HydrophobicContact CD1-CG1 4.15Å; Y57-M89 HydrophobicContact CD1-CG 3.54Å; Y57-M89 HydrophobicContact CD1-SD 4.1Å; Y57-M89 HydrophobicContact CD2-CG 4.33Å; Y57-M89 HydrophobicContact CD2-SD 4.18Å; Y57-M89 HydrophobicContact CE1-CG 3.37Å; Y57-M89 HydrophobicContact CE1-SD 4.39Å; Y57-M89 HydrophobicContact CE2-CG 4.24Å; Y57-M89 HydrophobicContact CG-CG 4Å; Y57-M89 HydrophobicContact CG-SD 3.97Å; Y57-K92 WeakPolarHBondContact OH-CD 3.18Å; Y57-K92 PolarHBondContact OH-NZ 3.4Å; Y57-H95 AromaticContact CE2-CE1 3.84Å; Y57-H95 AromaticContact CE2-ND1 3.25Å; Y57-H95 VanDerWaalsContact CE2-ND1 3.25Å; Y57-H95 WeakPolarHBondContact CE2-ND1 3.24Å; Y57-H95 AromaticContact CZ-ND1 3.52Å; Y57-H95 PolarHBondContact OH-ND1 2.87Å; Y57-H95 VanDerWaalsContact OH-ND1 3.1Å |
| 58 | Y | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.3 | -54 | -177.3 | 173.8 | -106.7 | 0 | 0 | 0 | 111.3 | A35 P37 E42 L45 Y46 L49 L55 T60 F61 I62 | A35-Y58 HydrophobicContact CB-CE1 4.35Å; A35-Y58 WeakPolarHBondContact O-CE1 3.5Å; P37-Y58 WeakPolarHBondContact CA-OH 3.35Å; E42-Y58 WeakPolarHBondContact O-CE2 3.24Å; E42-Y58 PolarHBondContact OE2-OH 3.32Å; L45-Y58 HydrophobicContact CD2-CD2 4.15Å; L45-Y58 HydrophobicContact CD2-CE2 4.35Å; Y46-Y58 HydrophobicContact CD2-CD1 4.15Å; Y46-Y58 AromaticContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CE1 4.17Å; Y46-Y58 AromaticContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CG 4.02Å; Y46-Y58 HydrophobicContact CG-CD2 4.46Å; Y46-Y58 HydrophobicContact CG-CE2 4.31Å; L49-Y58 HydrophobicContact CD1-CD2 4.22Å; L55-Y58 VanDerWaalsContact O-CB 3.25Å; L55-Y58 WeakPolarHBondContact O-CB 3.24Å; L55-Y58 PolarHBondContact O-N 3.3Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.49Å; Y58-F61 PolarHBondContact O-N 3.21Å; Y58-F61 VanDerWaalsContact O-N 3.09Å; Y58-I62 HydrophobicContact CD2-CD1 4.39Å; Y58-I62 HydrophobicContact CD2-CG1 4.17Å; Y58-I62 HydrophobicContact CE1-CG1 4.1Å; Y58-I62 HydrophobicContact CE2-CD1 3.84Å; Y58-I62 HydrophobicContact CE2-CG1 3.72Å; Y58-I62 WeakPolarHBondContact O-CG1 3.11Å; Y58-I62 PolarHBondContact O-N 2.66Å |
| 59 | E | 93.6 | Very high | 93.6 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.7 | -37.6 | 178.4 | -59.9 | -92.1 | 141.3 | 0 | 0 | 112.7 | R32 A35 Y57 Q63 | R32-E59 IonicContact CZ-OE2 2.84Å; R32-E59 IonicContact NE-OE2 2.94Å; R32-E59 PolarHBondContact NE-OE2 3.01Å; R32-E59 IonicContact NH2-OE2 3.32Å; R32-E59 PolarHBondContact NH2-OE2 2.77Å; A35-E59 WeakPolarHBondContact CB-OE1 3.29Å; A35-E59 PolarHBondContact N-OE1 3.45Å; Y57-E59 PolarHBondContact O-N 3.48Å; E59-Q63 VanDerWaalsContact O-CB 3.22Å; E59-Q63 WeakPolarHBondContact O-CB 3.34Å; E59-Q63 PolarHBondContact O-N 3.17Å |
| 60 | T | 94.8 | Very high | 93.4 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.8 | -28.1 | 179 | 41.5 | 0 | 0 | 0 | 0 | 113.3 | Y57 Y58 Q64 | Y57-T60 VanDerWaalsContact C-OG1 3.31Å; Y57-T60 VanDerWaalsContact CA-OG1 3.28Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.38Å; Y57-T60 PolarHBondContact O-N 3.24Å; Y57-T60 VanDerWaalsContact O-N 3.15Å; Y57-T60 PolarHBondContact O-OG1 3.04Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.49Å; T60-Q64 WeakPolarHBondContact O-CG 3.47Å |
| 61 | F | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.9 | -49.1 | 169.6 | -89.8 | -76.6 | 0 | 0 | 0 | 111.1 | L45 L49 Y57 Y58 Q63 Q64 G65 G66 L72 I83 M84 V87 M89 L99 | L45-F61 HydrophobicContact CD1-CD1 4.43Å; L45-F61 HydrophobicContact CD1-CG 4.4Å; L45-F61 HydrophobicContact CD2-CB 3.54Å; L45-F61 HydrophobicContact CD2-CG 4.07Å; L49-F61 HydrophobicContact CD1-CD2 3.79Å; L49-F61 HydrophobicContact CD1-CE2 4.25Å; L49-F61 HydrophobicContact CD2-CD2 4.26Å; L49-F61 HydrophobicContact CD2-CE2 3.87Å; Y57-F61 WeakPolarHBondContact O-CD2 3.17Å; Y57-F61 PolarHBondContact O-N 3.45Å; Y58-F61 PolarHBondContact O-N 3.21Å; Y58-F61 VanDerWaalsContact O-N 3.09Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.14Å; F61-Q64 CarbonylContact O-C 3.51Å; F61-Q64 PolarHBondContact O-N 3.28Å; F61-G65 PolarHBondContact O-N 3.36Å; F61-G66 PolarHBondContact O-N 3.3Å; F61-L72 HydrophobicContact CD1-CD1 4.32Å; F61-L72 HydrophobicContact CE1-CD1 3.91Å; F61-L72 HydrophobicContact CE1-CD2 4.04Å; F61-I83 HydrophobicContact CE1-CG2 4.13Å; F61-M84 HydrophobicContact CZ-CE 4.17Å; F61-V87 HydrophobicContact CD1-CG2 4.04Å; F61-V87 HydrophobicContact CD2-CG1 3.82Å; F61-V87 HydrophobicContact CE1-CG2 4.12Å; F61-V87 HydrophobicContact CE2-CG1 3.87Å; F61-V87 HydrophobicContact CG-CG1 4.16Å; F61-V87 HydrophobicContact CG-CG2 4.36Å; F61-V87 HydrophobicContact CZ-CG1 4.24Å; F61-M89 HydrophobicContact CD2-CE 4.48Å; F61-M89 HydrophobicContact CE1-CE 4.47Å; F61-M89 HydrophobicContact CE2-CE 3.34Å; F61-M89 HydrophobicContact CE2-SD 4.45Å; F61-M89 HydrophobicContact CZ-CE 3.34Å; F61-L99 HydrophobicContact CE2-CD2 4.33Å; F61-L99 HydrophobicContact CZ-CD2 3.78Å |
| 62 | I | 93.9 | Very high | 93.6 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | -178.4 | -56.3 | -40.2 | 0 | 0 | 0 | 111.1 | E42 L45 Y58 Q64 G65 D67 | E42-I62 HydrophobicContact CB-CD1 4.4Å; E42-I62 HydrophobicContact CG-CD1 3.69Å; E42-I62 HydrophobicContact CG-CG1 4.2Å; E42-I62 HydrophobicContact CG-CG2 4.37Å; L45-I62 HydrophobicContact CD2-CD1 3.51Å; Y58-I62 HydrophobicContact CD2-CD1 4.39Å; Y58-I62 HydrophobicContact CD2-CG1 4.17Å; Y58-I62 HydrophobicContact CE1-CG1 4.1Å; Y58-I62 HydrophobicContact CE2-CD1 3.84Å; Y58-I62 HydrophobicContact CE2-CG1 3.72Å; Y58-I62 WeakPolarHBondContact O-CG1 3.11Å; Y58-I62 PolarHBondContact O-N 2.66Å; I62-Q64 PolarHBondContact O-N 2.92Å; I62-Q64 VanDerWaalsContact O-N 3.14Å; I62-G65 PolarHBondContact O-N 2.76Å; I62-G65 VanDerWaalsContact O-N 3.16Å; I62-D67 HydrophobicContact CD1-CB 3.83Å |
| 63 | Q | 94.1 | Very high | 93.5 | Very high | 158 Ų | 158 | 55.1 Ų | 55.1 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.8 | 175.9 | -175.1 | 57.4 | 84.4 | 0 | 0 | 113.6 | E59 F61 | E59-Q63 VanDerWaalsContact O-CB 3.22Å; E59-Q63 WeakPolarHBondContact O-CB 3.34Å; E59-Q63 PolarHBondContact O-N 3.17Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.14Å |
| 64 | Q | 92.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 55.9 Ų | 55.9 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.1 | -177.3 | -59.1 | -74.5 | 26.1 | 0 | 0 | 112.5 | T60 F61 I62 G66 L86 | T60-Q64 WeakPolarHBondContact O-CG 3.47Å; F61-Q64 CarbonylContact O-C 3.51Å; F61-Q64 PolarHBondContact O-N 3.28Å; I62-Q64 PolarHBondContact O-N 2.92Å; I62-Q64 VanDerWaalsContact O-N 3.14Å; Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 2.77Å; Q64-L86 HydrophobicContact CB-CD2 3.67Å; Q64-L86 HydrophobicContact CG-CD2 3.46Å; Q64-L86 VanDerWaalsContact CG-CD2 3.46Å |
| 65 | G | 91.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 16.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F61 I62 D67 | F61-G65 PolarHBondContact O-N 3.36Å; I62-G65 PolarHBondContact O-N 2.76Å; I62-G65 VanDerWaalsContact O-N 3.16Å; G65-D67 PolarHBondContact O-N 3.18Å; G65-D67 VanDerWaalsContact O-N 3.14Å |
| 66 | G | 91.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 47 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L45 F61 Q64 | L45-G66 WeakPolarHBondContact CD2-O 3.38Å; F61-G66 PolarHBondContact O-N 3.3Å; Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 2.77Å |
| 67 | D | 91.9 | Very high | 93 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.8 | 179.7 | 75.7 | -57.8 | 0 | 0 | 0 | 114.4 | T39 G41 E42 I62 G65 V69 | T39-D67 PolarHBondContact OG1-OD2 3.02Å; T39-D67 VanDerWaalsContact OG1-OD2 3.13Å; G41-D67 CarbonylContact C-O 3.09Å; G41-D67 WeakPolarHBondContact CA-O 3.41Å; E42-D67 HydrophobicContact CG-CB 4.16Å; I62-D67 HydrophobicContact CD1-CB 3.83Å; G65-D67 PolarHBondContact O-N 3.18Å; G65-D67 VanDerWaalsContact O-N 3.14Å; D67-V69 PolarHBondContact O-N 3.22Å |
| 68 | D | 92.5 | Very high | 92.9 | Very high | 77 Ų | 77 | 67 Ų | 67 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | trans | -81.1 | 109 | 170.5 | -164.4 | -39.6 | 0 | 0 | 0 | 111.7 | Q70 Q71 L72 | D68-Q70 WeakPolarHBondContact OD1-CA 3.44Å; D68-Q70 VanDerWaalsContact OD1-CB 3.25Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Q70 PolarHBondContact OD1-N 3.44Å; D68-Q71 HydrophobicContact CB-CB 4.02Å; D68-Q71 PolarHBondContact OD1-N 3.09Å; D68-L72 WeakPolarHBondContact O-CG 3.09Å; D68-L72 PolarHBondContact O-N 3.02Å | ||
| 69 | V | 91.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.8 | -28.7 | 178.4 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | Q44 L45 V48 D67 L72 C73 L103 W106 | Q44-V69 HydrophobicContact CB-CG2 3.76Å; L45-V69 HydrophobicContact CB-CG2 3.91Å; L45-V69 HydrophobicContact CD1-CG2 4.38Å; L45-V69 VanDerWaalsContact N-CG2 3.33Å; V48-V69 HydrophobicContact CG2-CG1 3.96Å; D67-V69 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 3.07Å; V69-C73 PolarHBondContact O-N 3.12Å; V69-C73 VanDerWaalsContact O-N 3.1Å; V69-C73 PolarHBondContact O-SG 2.92Å; V69-C73 VanDerWaalsContact O-SG 3.37Å; V69-L103 HydrophobicContact CG1-CD2 3.78Å; V69-W106 HydrophobicContact CB-CE3 4.5Å; V69-W106 HydrophobicContact CB-CH2 4Å; V69-W106 HydrophobicContact CB-CZ2 3.99Å; V69-W106 HydrophobicContact CB-CZ3 4.26Å; V69-W106 HydrophobicContact CG1-CD2 3.56Å; V69-W106 HydrophobicContact CG1-CE3 3.59Å; V69-W106 HydrophobicContact CG1-CG 4.15Å; V69-W106 HydrophobicContact CG1-CH2 3.97Å; V69-W106 HydrophobicContact CG1-CZ2 3.94Å; V69-W106 HydrophobicContact CG1-CZ3 3.8Å |
| 70 | Q | 91.1 | Very high | 92.9 | Very high | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 177.5 | -171.4 | 67.7 | 24 | 0 | 0 | 109.9 | D68 L72 C73 E74 W106 | D68-Q70 WeakPolarHBondContact OD1-CA 3.44Å; D68-Q70 VanDerWaalsContact OD1-CB 3.25Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Q70 PolarHBondContact OD1-N 3.44Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.49Å; Q70-C73 WeakPolarHBondContact O-CA 3.38Å; Q70-C73 WeakPolarHBondContact O-CB 3.42Å; Q70-C73 PolarHBondContact O-N 3.29Å; Q70-E74 PolarHBondContact NE2-OE1 3.31Å; Q70-E74 PolarHBondContact O-N 3Å; Q70-W106 HydrophobicContact CB-CH2 4.43Å |
| 71 | Q | 93.6 | Very high | 92.8 | Very high | 129 Ų | 129 | 72.5 Ų | 72.5 | 60% | 0.603 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59 | -40.5 | 174.6 | -168.5 | -179.1 | 1.1 | 0 | 0 | 111.7 | D68 C73 E74 A75 | D68-Q71 HydrophobicContact CB-CB 4.02Å; D68-Q71 PolarHBondContact OD1-N 3.09Å; Q71-C73 PolarHBondContact O-N 2.91Å; Q71-E74 PolarHBondContact O-N 3.14Å; Q71-A75 WeakPolarHBondContact O-CB 3.32Å; Q71-A75 PolarHBondContact O-N 3.26Å |
| 72 | L | 93.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 78.9 Ų | 78.9 | 5% | 0.047 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.6 | -20.8 | 174.1 | -69.9 | 173.1 | 0 | 0 | 0 | 114.2 | L45 F61 D68 V69 Q70 I83 L103 | L45-L72 HydrophobicContact CD1-CD1 3.63Å; F61-L72 HydrophobicContact CD1-CD1 4.32Å; F61-L72 HydrophobicContact CE1-CD1 3.91Å; F61-L72 HydrophobicContact CE1-CD2 4.04Å; D68-L72 WeakPolarHBondContact O-CG 3.09Å; D68-L72 PolarHBondContact O-N 3.02Å; V69-L72 PolarHBondContact O-N 3.07Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.49Å; L72-I83 HydrophobicContact CD2-CD1 4.15Å; L72-I83 HydrophobicContact CD2-CG2 3.95Å; L72-L103 HydrophobicContact CB-CD1 4.27Å; L72-L103 HydrophobicContact CB-CD2 4.08Å |
| 73 | C | 93.3 | Very high | 92.8 | Very high | 43 Ų | 43 | 78.8 Ų | 78.8 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -86.7 | -29.8 | 174.4 | -77 | 0 | 0 | 0 | 0 | 113 | V69 Q70 Q71 | V69-C73 PolarHBondContact O-N 3.12Å; V69-C73 VanDerWaalsContact O-N 3.1Å; V69-C73 PolarHBondContact O-SG 2.92Å; V69-C73 VanDerWaalsContact O-SG 3.37Å; Q70-C73 WeakPolarHBondContact O-CA 3.38Å; Q70-C73 WeakPolarHBondContact O-CB 3.42Å; Q70-C73 PolarHBondContact O-N 3.29Å; Q71-C73 PolarHBondContact O-N 2.91Å |
| 74 | E | 93.2 | Very high | 92.9 | Very high | 140 Ų | 140 | 71.2 Ų | 71.2 | 65% | 0.654 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -92.3 | -19.9 | -177.1 | -69.5 | 177 | 179.8 | 0 | 0 | 113.6 | Q70 Q71 G76 | Q70-E74 PolarHBondContact NE2-OE1 3.31Å; Q70-E74 PolarHBondContact O-N 3Å; Q71-E74 PolarHBondContact O-N 3.14Å; E74-G76 PolarHBondContact O-N 3.12Å |
| 75 | A | 93.6 | Very high | 93 | Very high | 22 Ų | 22 | 69.1 Ų | 69.1 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -50.6 | 133.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q71 E79 F80 | Q71-A75 WeakPolarHBondContact O-CB 3.32Å; Q71-A75 PolarHBondContact O-N 3.26Å; A75-E79 WeakPolarHBondContact CA-OE2 3.44Å; A75-E79 HydrophobicContact CB-CB 4.27Å; A75-F80 HydrophobicContact CB-CB 4.27Å | ||
| 76 | G | 91.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 71 Ų | 71 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | trans | -65.6 | 170.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E74 E78 E79 F80 | E74-G76 PolarHBondContact O-N 3.12Å; G76-E78 PolarHBondContact O-N 3.14Å; G76-E79 PolarHBondContact N-OE2 2.74Å; G76-E79 PolarHBondContact O-N 3.02Å; G76-F80 WeakPolarHBondContact O-CB 3.46Å; G76-F80 PolarHBondContact O-N 3.15Å | ||
| 77 | E | 91.3 | Very high | 93.4 | Very high | 164 Ų | 164 | 70.6 Ų | 70.6 | 77% | 0.766 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | -177.3 | -176.9 | 162.9 | -155.6 | 0 | 0 | 112.7 | L81 | E77-L81 HydrophobicContact CG-CD1 4.08Å; E77-L81 WeakPolarHBondContact O-CB 3.28Å; E77-L81 WeakPolarHBondContact O-CD1 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.25Å; E77-L81 PolarHBondContact O-N 2.83Å |
| 78 | E | 93.6 | Very high | 93.4 | Very high | 171 Ų | 171 | 70 Ų | 70 | 80% | 0.799 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.9 | -50.6 | 177.5 | -64.5 | -168.4 | 159.6 | 0 | 0 | 112.2 | G76 F80 L81 E82 | G76-E78 PolarHBondContact O-N 3.14Å; E78-F80 VanDerWaalsContact C-N 3.32Å; E78-F80 PolarHBondContact O-N 2.82Å; E78-L81 PolarHBondContact O-N 2.69Å; E78-L81 VanDerWaalsContact O-N 3.13Å; E78-E82 PolarHBondContact O-N 2.84Å |
| 79 | E | 93.8 | Very high | 93.5 | Very high | 114 Ų | 114 | 66.3 Ų | 66.3 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 177.3 | -59.8 | 175.2 | 147 | 0 | 0 | 111.5 | A75 G76 L81 E82 I83 | A75-E79 WeakPolarHBondContact CA-OE2 3.44Å; A75-E79 HydrophobicContact CB-CB 4.27Å; G76-E79 PolarHBondContact N-OE2 2.74Å; G76-E79 PolarHBondContact O-N 3.02Å; E79-L81 PolarHBondContact O-N 3.39Å; E79-E82 PolarHBondContact O-N 3Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.07Å; E79-I83 PolarHBondContact O-N 3.16Å |
| 80 | F | 94 | Very high | 93.4 | Very high | 14 Ų | 14 | 68.6 Ų | 68.6 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 177.7 | -177.1 | -95.9 | 0 | 0 | 0 | 111.5 | A75 G76 E78 I83 M84 V96 Q100 L103 | A75-F80 HydrophobicContact CB-CB 4.27Å; G76-F80 WeakPolarHBondContact O-CB 3.46Å; G76-F80 PolarHBondContact O-N 3.15Å; E78-F80 VanDerWaalsContact C-N 3.32Å; E78-F80 PolarHBondContact O-N 2.82Å; F80-I83 PolarHBondContact O-N 3.38Å; F80-M84 HydrophobicContact CD1-CG 4.02Å; F80-M84 HydrophobicContact CD2-CE 4.37Å; F80-M84 HydrophobicContact CE1-CE 4.48Å; F80-M84 HydrophobicContact CE1-CG 3.66Å; F80-M84 HydrophobicContact CE1-SD 4.12Å; F80-M84 HydrophobicContact CE2-CE 3.86Å; F80-M84 HydrophobicContact CE2-SD 4.4Å; F80-M84 HydrophobicContact CZ-CE 3.91Å; F80-M84 HydrophobicContact CZ-CG 3.98Å; F80-M84 HydrophobicContact CZ-SD 3.83Å; F80-M84 WeakPolarHBondContact O-CB 3.33Å; F80-M84 VanDerWaalsContact O-CG 3.24Å; F80-M84 WeakPolarHBondContact O-CG 3.22Å; F80-M84 PolarHBondContact O-N 3.28Å; F80-V96 HydrophobicContact CE1-CG1 3.63Å; F80-V96 HydrophobicContact CZ-CG1 4.19Å; F80-Q100 HydrophobicContact CE1-CG 3.77Å; F80-Q100 HydrophobicContact CZ-CG 3.6Å; F80-L103 HydrophobicContact CE2-CD1 4.06Å |
| 81 | L | 93.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 70.4 Ų | 70.4 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 175.6 | -75.3 | 170.7 | 0 | 0 | 0 | 112.4 | E77 E78 E79 M84 A85 | E77-L81 HydrophobicContact CG-CD1 4.08Å; E77-L81 WeakPolarHBondContact O-CB 3.28Å; E77-L81 WeakPolarHBondContact O-CD1 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.25Å; E77-L81 PolarHBondContact O-N 2.83Å; E78-L81 PolarHBondContact O-N 2.69Å; E78-L81 VanDerWaalsContact O-N 3.13Å; E79-L81 PolarHBondContact O-N 3.39Å; L81-M84 PolarHBondContact O-N 3.19Å; L81-A85 WeakPolarHBondContact O-CB 3.44Å; L81-A85 PolarHBondContact O-N 2.62Å |
| 82 | E | 95.1 | Very high | 93.5 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.6 | -49.8 | 173.1 | -175.4 | 174.8 | -171.1 | 0 | 0 | 111.1 | E78 E79 M84 A85 L86 | E78-E82 PolarHBondContact O-N 2.84Å; E79-E82 PolarHBondContact O-N 3Å; E82-M84 VanDerWaalsContact C-N 3.3Å; E82-M84 PolarHBondContact O-N 3.22Å; E82-A85 WeakPolarHBondContact O-CB 3.19Å; E82-A85 PolarHBondContact O-N 3.28Å; E82-L86 VanDerWaalsContact O-CB 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 PolarHBondContact O-N 3.49Å |
| 83 | I | 94.4 | Very high | 93.4 | Very high | 44 Ų | 44 | 72.6 Ų | 72.6 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 175.4 | -62.9 | 162.4 | 0 | 0 | 0 | 110.4 | F61 L72 E79 F80 A85 L86 V87 | F61-I83 HydrophobicContact CE1-CG2 4.13Å; L72-I83 HydrophobicContact CD2-CD1 4.15Å; L72-I83 HydrophobicContact CD2-CG2 3.95Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.07Å; E79-I83 PolarHBondContact O-N 3.16Å; F80-I83 PolarHBondContact O-N 3.38Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.05Å; I83-L86 PolarHBondContact O-N 2.59Å; I83-V87 HydrophobicContact CG2-CG2 4.26Å; I83-V87 WeakPolarHBondContact O-CB 3.35Å; I83-V87 VanDerWaalsContact O-CG2 3.31Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 2.91Å |
| 84 | M | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64 | -34.8 | 175.7 | -69.9 | -51 | 94.2 | 0 | 0 | 112.4 | F61 F80 L81 E82 G88 M89 A90 V96 L99 | F61-M84 HydrophobicContact CZ-CE 4.17Å; F80-M84 HydrophobicContact CD1-CG 4.02Å; F80-M84 HydrophobicContact CD2-CE 4.37Å; F80-M84 HydrophobicContact CE1-CE 4.48Å; F80-M84 HydrophobicContact CE1-CG 3.66Å; F80-M84 HydrophobicContact CE1-SD 4.12Å; F80-M84 HydrophobicContact CE2-CE 3.86Å; F80-M84 HydrophobicContact CE2-SD 4.4Å; F80-M84 HydrophobicContact CZ-CE 3.91Å; F80-M84 HydrophobicContact CZ-CG 3.98Å; F80-M84 HydrophobicContact CZ-SD 3.83Å; F80-M84 WeakPolarHBondContact O-CB 3.33Å; F80-M84 VanDerWaalsContact O-CG 3.24Å; F80-M84 WeakPolarHBondContact O-CG 3.22Å; F80-M84 PolarHBondContact O-N 3.28Å; L81-M84 PolarHBondContact O-N 3.19Å; E82-M84 VanDerWaalsContact C-N 3.3Å; E82-M84 PolarHBondContact O-N 3.22Å; M84-G88 PolarHBondContact O-N 3.17Å; M84-M89 HydrophobicContact CB-CB 4.48Å; M84-M89 HydrophobicContact CE-CE 3.69Å; M84-M89 CarbonylContact O-C 3.52Å; M84-M89 WeakPolarHBondContact O-CA 3.43Å; M84-M89 PolarHBondContact O-N 3.47Å; M84-M89 HydrophobicContact SD-CB 4.08Å; M84-M89 HydrophobicContact SD-CE 3.47Å; M84-M89 WeakPolarHBondContact SD-CE 3.11Å; M84-M89 HydrophobicContact SD-SD 4.27Å; M84-A90 HydrophobicContact CB-CB 4.31Å; M84-A90 PolarHBondContact O-N 3.1Å; M84-V96 HydrophobicContact CB-CG2 4.39Å; M84-V96 HydrophobicContact CG-CG1 4.02Å; M84-V96 HydrophobicContact CG-CG2 4Å; M84-V96 HydrophobicContact SD-CG1 4.27Å; M84-V96 HydrophobicContact SD-CG2 4.1Å; M84-L99 HydrophobicContact CE-CD2 3.71Å; M84-L99 HydrophobicContact SD-CD2 3.86Å |
| 85 | A | 94.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70 | -48.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L81 E82 I83 V87 G88 A90 | L81-A85 WeakPolarHBondContact O-CB 3.44Å; L81-A85 PolarHBondContact O-N 2.62Å; E82-A85 WeakPolarHBondContact O-CB 3.19Å; E82-A85 PolarHBondContact O-N 3.28Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.05Å; A85-V87 PolarHBondContact O-N 3.05Å; A85-G88 WeakPolarHBondContact O-CA 3.19Å; A85-G88 PolarHBondContact O-N 2.88Å; A85-A90 HydrophobicContact CB-CB 4.03Å |
| 86 | L | 95.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 72 Ų | 72 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -31.7 | -177.5 | 179.4 | 146.6 | 0 | 0 | 0 | 113.3 | Q64 E82 I83 | Q64-L86 HydrophobicContact CB-CD2 3.67Å; Q64-L86 HydrophobicContact CG-CD2 3.46Å; Q64-L86 VanDerWaalsContact CG-CD2 3.46Å; E82-L86 VanDerWaalsContact O-CB 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 PolarHBondContact O-N 3.49Å; I83-L86 PolarHBondContact O-N 2.59Å |
| 87 | V | 94.5 | Very high | 94 | Very high | 7 Ų | 7 | 78.5 Ų | 78.5 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.3 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | Y57 F61 I83 A85 M89 | Y57-V87 HydrophobicContact CD1-CG1 4.15Å; F61-V87 HydrophobicContact CD1-CG2 4.04Å; F61-V87 HydrophobicContact CD2-CG1 3.82Å; F61-V87 HydrophobicContact CE1-CG2 4.12Å; F61-V87 HydrophobicContact CE2-CG1 3.87Å; F61-V87 HydrophobicContact CG-CG1 4.16Å; F61-V87 HydrophobicContact CG-CG2 4.36Å; F61-V87 HydrophobicContact CZ-CG1 4.24Å; I83-V87 HydrophobicContact CG2-CG2 4.26Å; I83-V87 WeakPolarHBondContact O-CB 3.35Å; I83-V87 VanDerWaalsContact O-CG2 3.31Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 2.91Å; A85-V87 PolarHBondContact O-N 3.05Å; V87-M89 HydrophobicContact CB-CE 4.11Å; V87-M89 HydrophobicContact CG1-CE 3.73Å |
| 88 | G | 93 | Very high | 94.3 | Very high | 39 Ų | 39 | 74.8 Ų | 74.8 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 29.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M84 A85 | M84-G88 PolarHBondContact O-N 3.17Å; A85-G88 WeakPolarHBondContact O-CA 3.19Å; A85-G88 PolarHBondContact O-N 2.88Å |
| 89 | M | 94.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -105 | -19.5 | 175.3 | -73 | -171.1 | -74.2 | 0 | 0 | 114.7 | Y57 F61 M84 V87 T91 K92 V96 L99 | Y57-M89 HydrophobicContact CD1-CG 3.54Å; Y57-M89 HydrophobicContact CD1-SD 4.1Å; Y57-M89 HydrophobicContact CD2-CG 4.33Å; Y57-M89 HydrophobicContact CD2-SD 4.18Å; Y57-M89 HydrophobicContact CE1-CG 3.37Å; Y57-M89 HydrophobicContact CE1-SD 4.39Å; Y57-M89 HydrophobicContact CE2-CG 4.24Å; Y57-M89 HydrophobicContact CG-CG 4Å; Y57-M89 HydrophobicContact CG-SD 3.97Å; F61-M89 HydrophobicContact CD2-CE 4.48Å; F61-M89 HydrophobicContact CE1-CE 4.47Å; F61-M89 HydrophobicContact CE2-CE 3.34Å; F61-M89 HydrophobicContact CE2-SD 4.45Å; F61-M89 HydrophobicContact CZ-CE 3.34Å; M84-M89 HydrophobicContact CB-CB 4.48Å; M84-M89 HydrophobicContact CE-CE 3.69Å; M84-M89 CarbonylContact O-C 3.52Å; M84-M89 WeakPolarHBondContact O-CA 3.43Å; M84-M89 PolarHBondContact O-N 3.47Å; M84-M89 HydrophobicContact SD-CB 4.08Å; M84-M89 HydrophobicContact SD-CE 3.47Å; M84-M89 WeakPolarHBondContact SD-CE 3.11Å; M84-M89 HydrophobicContact SD-SD 4.27Å; V87-M89 HydrophobicContact CB-CE 4.11Å; V87-M89 HydrophobicContact CG1-CE 3.73Å; M89-T91 PolarHBondContact O-N 3.21Å; M89-T91 VanDerWaalsContact O-N 3.15Å; M89-K92 CarbonylContact O-C 3.49Å; M89-K92 WeakPolarHBondContact O-CA 3.43Å; M89-K92 PolarHBondContact O-N 3.39Å; M89-V96 HydrophobicContact CB-CG2 4.24Å; M89-V96 WeakPolarHBondContact O-CG2 3.2Å; M89-L99 HydrophobicContact CE-CD2 3.84Å; M89-L99 HydrophobicContact SD-CD2 4.37Å | ||
| 90 | A | 90.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 63.8 Ų | 63.8 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M84 A85 K92 | M84-A90 HydrophobicContact CB-CB 4.31Å; M84-A90 PolarHBondContact O-N 3.1Å; A85-A90 HydrophobicContact CB-CB 4.03Å; A90-K92 PolarHBondContact O-N 2.91Å |
| 91 | T | 92.3 | Very high | 94.5 | Very high | 122 Ų | 122 | 69.2 Ų | 69.2 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.7 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | M89 | M89-T91 PolarHBondContact O-N 3.21Å; M89-T91 VanDerWaalsContact O-N 3.15Å |
| 92 | K | 95.3 | Very high | 94.5 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 42% | 0.422 | 34% | 0.344 | S | S | . | . | trans | -127.9 | 79.1 | -176.9 | -62.6 | -171.6 | -167.4 | 174.6 | 0 | 110.7 | Y57 M89 A90 L94 H95 V96 | Y57-K92 WeakPolarHBondContact OH-CD 3.18Å; Y57-K92 PolarHBondContact OH-NZ 3.4Å; M89-K92 CarbonylContact O-C 3.49Å; M89-K92 WeakPolarHBondContact O-CA 3.43Å; M89-K92 PolarHBondContact O-N 3.39Å; A90-K92 PolarHBondContact O-N 2.91Å; K92-L94 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact O-N 3.08Å; K92-H95 HydrophobicContact CB-CB 4.05Å; K92-H95 WeakPolarHBondContact O-CB 3.42Å; K92-H95 PolarHBondContact O-N 3.47Å; K92-V96 PolarHBondContact O-N 3.07Å | ||
| 93 | P | 91.3 | Very high | 94.5 | Very high | 88 Ų | 88 | 59 Ų | 59 | 57% | 0.571 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58 | -31.5 | -173.4 | 21.4 | -33.6 | 0 | 0 | 0 | 113.8 | H95 V96 R97 | P93-H95 VanDerWaalsContact C-N 3.29Å; P93-H95 PolarHBondContact O-N 2.82Å; P93-V96 PolarHBondContact O-N 2.78Å; P93-R97 VanDerWaalsContact O-CG 3.32Å; P93-R97 WeakPolarHBondContact O-CG 3.44Å; P93-R97 PolarHBondContact O-N 2.96Å |
| 94 | L | 96.3 | Very high | 94.5 | Very high | 134 Ų | 134 | 65.1 Ų | 65.1 | 70% | 0.702 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.2 | -24.6 | 175.1 | -64.3 | -179.9 | 0 | 0 | 0 | 113.7 | K92 R98 | K92-L94 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact O-N 3.08Å; L94-R98 VanDerWaalsContact O-CG 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.19Å; L94-R98 PolarHBondContact O-N 3.06Å |
| 95 | H | 95.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.7 | -47.1 | 174.4 | -69.6 | -156.4 | 0 | 0 | 0 | 109.3 | L54 Y57 K92 P93 R97 R98 L99 | L54-H95 WeakPolarHBondContact CD1-O 3.38Å; L54-H95 HydrophobicContact CD2-CB 3.82Å; Y57-H95 AromaticContact CE2-CE1 3.84Å; Y57-H95 AromaticContact CE2-ND1 3.25Å; Y57-H95 VanDerWaalsContact CE2-ND1 3.25Å; Y57-H95 WeakPolarHBondContact CE2-ND1 3.24Å; Y57-H95 AromaticContact CZ-ND1 3.52Å; Y57-H95 PolarHBondContact OH-ND1 2.87Å; Y57-H95 VanDerWaalsContact OH-ND1 3.1Å; K92-H95 HydrophobicContact CB-CB 4.05Å; K92-H95 WeakPolarHBondContact O-CB 3.42Å; K92-H95 PolarHBondContact O-N 3.47Å; P93-H95 VanDerWaalsContact C-N 3.29Å; P93-H95 PolarHBondContact O-N 2.82Å; H95-R97 VanDerWaalsContact C-N 3.34Å; H95-R97 PolarHBondContact O-N 3.36Å; H95-R98 PolarHBondContact CD2-NH2 3.22Å; H95-R98 PolarHBondContact NE2-NH2 3.08Å; H95-R98 VanDerWaalsContact NE2-NH2 3.1Å; H95-R98 PolarHBondContact O-N 3.43Å; H95-R98 VanDerWaalsContact O-N 3.1Å; H95-L99 PolarHBondContact O-N 3.26Å |
| 96 | V | 95.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 66.3 Ų | 66.3 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.5 | -48 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | F80 M84 M89 K92 P93 R98 L99 Q100 | F80-V96 HydrophobicContact CE1-CG1 3.63Å; F80-V96 HydrophobicContact CZ-CG1 4.19Å; M84-V96 HydrophobicContact CB-CG2 4.39Å; M84-V96 HydrophobicContact CG-CG1 4.02Å; M84-V96 HydrophobicContact CG-CG2 4Å; M84-V96 HydrophobicContact SD-CG1 4.27Å; M84-V96 HydrophobicContact SD-CG2 4.1Å; M89-V96 HydrophobicContact CB-CG2 4.24Å; M89-V96 WeakPolarHBondContact O-CG2 3.2Å; K92-V96 PolarHBondContact O-N 3.07Å; P93-V96 PolarHBondContact O-N 2.78Å; V96-R98 PolarHBondContact O-N 2.75Å; V96-L99 PolarHBondContact O-N 3.13Å; V96-Q100 HydrophobicContact CG1-CG 4.34Å; V96-Q100 WeakPolarHBondContact O-CB 3.49Å; V96-Q100 WeakPolarHBondContact O-CG 3.34Å; V96-Q100 PolarHBondContact O-N 2.96Å |
| 97 | R | 95.8 | Very high | 94 | Very high | 172 Ų | 172 | 64.7 Ų | 64.7 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -37 | 176.6 | -69.1 | -59.9 | -171.8 | -161.6 | 3.7 | 113.6 | P93 H95 K101 | P93-R97 VanDerWaalsContact O-CG 3.32Å; P93-R97 WeakPolarHBondContact O-CG 3.44Å; P93-R97 PolarHBondContact O-N 2.96Å; H95-R97 VanDerWaalsContact C-N 3.34Å; H95-R97 PolarHBondContact O-N 3.36Å; R97-K101 WeakPolarHBondContact O-CB 3.34Å; R97-K101 PolarHBondContact O-N 3.16Å; R97-K101 VanDerWaalsContact O-N 3.13Å |
| 98 | R | 96.8 | Very high | 93.7 | Very high | 86 Ų | 86 | 69.9 Ų | 69.9 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 175.2 | -77.6 | -170.9 | -67.2 | 144.1 | -12.8 | 111.9 | A52 N53 L54 L94 H95 V96 A102 | A52-R98 PolarHBondContact O-NH1 3.03Å; N53-R98 PolarHBondContact O-NH1 2.9Å; L54-R98 HydrophobicContact CD1-CB 4.26Å; L94-R98 VanDerWaalsContact O-CG 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.19Å; L94-R98 PolarHBondContact O-N 3.06Å; H95-R98 PolarHBondContact CD2-NH2 3.22Å; H95-R98 PolarHBondContact NE2-NH2 3.08Å; H95-R98 VanDerWaalsContact NE2-NH2 3.1Å; H95-R98 PolarHBondContact O-N 3.43Å; H95-R98 VanDerWaalsContact O-N 3.1Å; V96-R98 PolarHBondContact O-N 2.75Å; R98-A102 PolarHBondContact O-N 3.31Å |
| 99 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.9 | -51 | 175.4 | -177.8 | 60.4 | 0 | 0 | 0 | 111.6 | V48 L49 L54 F61 M84 M89 H95 V96 K101 A102 L103 | V48-L99 HydrophobicContact CG1-CD1 4.09Å; L49-L99 HydrophobicContact CD2-CD1 3.94Å; L54-L99 HydrophobicContact CD1-CB 3.75Å; F61-L99 HydrophobicContact CE2-CD2 4.33Å; F61-L99 HydrophobicContact CZ-CD2 3.78Å; M84-L99 HydrophobicContact CE-CD2 3.71Å; M84-L99 HydrophobicContact SD-CD2 3.86Å; M89-L99 HydrophobicContact CE-CD2 3.84Å; M89-L99 HydrophobicContact SD-CD2 4.37Å; H95-L99 PolarHBondContact O-N 3.26Å; V96-L99 PolarHBondContact O-N 3.13Å; L99-K101 PolarHBondContact O-N 3.45Å; L99-A102 PolarHBondContact O-N 2.84Å; L99-L103 HydrophobicContact CD1-CD1 4.05Å; L99-L103 HydrophobicContact CD1-CG 3.99Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 3.77Å; L99-L103 HydrophobicContact CG-CG 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.44Å |
| 100 | Q | 94.9 | Very high | 92.8 | Very high | 54 Ų | 54 | 74.9 Ų | 74.9 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -53.4 | -39.9 | 176.2 | -75.8 | -179.2 | -24.4 | 0 | 0 | 112.2 | F80 V96 R104 | F80-Q100 HydrophobicContact CE1-CG 3.77Å; F80-Q100 HydrophobicContact CZ-CG 3.6Å; V96-Q100 HydrophobicContact CG1-CG 4.34Å; V96-Q100 WeakPolarHBondContact O-CB 3.49Å; V96-Q100 WeakPolarHBondContact O-CG 3.34Å; V96-Q100 PolarHBondContact O-N 2.96Å; Q100-R104 WeakPolarHBondContact O-CB 3.17Å; Q100-R104 PolarHBondContact O-N 2.8Å; Q100-R104 VanDerWaalsContact O-N 3.13Å |
| 101 | K | 95 | Very high | 92.2 | Very high | 128 Ų | 128 | 74.3 Ų | 74.3 | 56% | 0.557 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.1 | -47.2 | 174.8 | -179.5 | 176.5 | 168 | 178.9 | 0 | 111.8 | R97 L99 R104 E105 | R97-K101 WeakPolarHBondContact O-CB 3.34Å; R97-K101 PolarHBondContact O-N 3.16Å; R97-K101 VanDerWaalsContact O-N 3.13Å; L99-K101 PolarHBondContact O-N 3.45Å; K101-R104 PolarHBondContact O-N 2.72Å; K101-E105 WeakPolarHBondContact CE-OE1 3.43Å; K101-E105 IonicContact NZ-OE1 2.69Å; K101-E105 WeakPolarHBondContact O-CG 3.14Å; K101-E105 PolarHBondContact O-N 2.8Å |
| 102 | A | 94.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.033 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V48 A52 R98 L99 E105 W106 | V48-A102 HydrophobicContact CG1-CB 3.95Å; A52-A102 HydrophobicContact CB-CB 3.79Å; R98-A102 PolarHBondContact O-N 3.31Å; L99-A102 PolarHBondContact O-N 2.84Å; A102-E105 PolarHBondContact O-N 3.46Å; A102-W106 WeakPolarHBondContact O-CB 3.49Å; A102-W106 PolarHBondContact O-N 2.74Å |
| 103 | L | 94.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 172.9 | -72.9 | 171 | 0 | 0 | 0 | 111.3 | V48 V69 L72 F80 L99 W106 A107 | V48-L103 HydrophobicContact CG1-CD2 3.98Å; V48-L103 HydrophobicContact CG1-CG 4.28Å; V69-L103 HydrophobicContact CG1-CD2 3.78Å; L72-L103 HydrophobicContact CB-CD1 4.27Å; L72-L103 HydrophobicContact CB-CD2 4.08Å; F80-L103 HydrophobicContact CE2-CD1 4.06Å; L99-L103 HydrophobicContact CD1-CD1 4.05Å; L99-L103 HydrophobicContact CD1-CG 3.99Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 3.77Å; L99-L103 HydrophobicContact CG-CG 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.44Å; L103-W106 PolarHBondContact O-N 2.95Å; L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.04Å |
| 104 | R | 93.3 | Very high | 89.4 | Confident | 171 Ų | 171 | 68.5 Ų | 68.5 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 175.7 | -168.3 | -177.8 | -59.1 | 142.9 | 4.6 | 112.8 | Q100 K101 W106 T108 | Q100-R104 WeakPolarHBondContact O-CB 3.17Å; Q100-R104 PolarHBondContact O-N 2.8Å; Q100-R104 VanDerWaalsContact O-N 3.13Å; K101-R104 PolarHBondContact O-N 2.72Å; R104-W106 VanDerWaalsContact C-N 3.32Å; R104-T108 WeakPolarHBondContact O-CB 3.34Å; R104-T108 PolarHBondContact O-N 3.03Å; R104-T108 PolarHBondContact O-OG1 3.14Å |
| 105 | E | 92.4 | Very high | 87.8 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 172.5 | -77.6 | -179.6 | -160.3 | 0 | 0 | 111.5 | R51 K101 A102 N109 F113 | R51-E105 IonicContact NE-OE2 3.85Å; R51-E105 PolarHBondContact NE-OE2 2.67Å; K101-E105 WeakPolarHBondContact CE-OE1 3.43Å; K101-E105 IonicContact NZ-OE1 2.69Å; K101-E105 WeakPolarHBondContact O-CG 3.14Å; K101-E105 PolarHBondContact O-N 2.8Å; A102-E105 PolarHBondContact O-N 3.46Å; E105-N109 PolarHBondContact O-N 2.88Å; E105-N109 VanDerWaalsContact O-N 3.12Å; E105-F113 HydrophobicContact CB-CE2 4.24Å; E105-F113 HydrophobicContact CB-CZ 4.04Å |
| 106 | W | 92.6 | Very high | 86 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -49.5 | 177.1 | -178.2 | 93.5 | 0 | 0 | 0 | 112 | V48 V69 Q70 A102 L103 R104 T108 N109 P110 F113 | V48-W106 HydrophobicContact CG2-CB 3.99Å; V48-W106 HydrophobicContact CG2-CG 3.83Å; V69-W106 HydrophobicContact CB-CE3 4.5Å; V69-W106 HydrophobicContact CB-CH2 4Å; V69-W106 HydrophobicContact CB-CZ2 3.99Å; V69-W106 HydrophobicContact CB-CZ3 4.26Å; V69-W106 HydrophobicContact CG1-CD2 3.56Å; V69-W106 HydrophobicContact CG1-CE3 3.59Å; V69-W106 HydrophobicContact CG1-CG 4.15Å; V69-W106 HydrophobicContact CG1-CH2 3.97Å; V69-W106 HydrophobicContact CG1-CZ2 3.94Å; V69-W106 HydrophobicContact CG1-CZ3 3.8Å; Q70-W106 HydrophobicContact CB-CH2 4.43Å; A102-W106 WeakPolarHBondContact O-CB 3.49Å; A102-W106 PolarHBondContact O-N 2.74Å; L103-W106 PolarHBondContact O-N 2.95Å; R104-W106 VanDerWaalsContact C-N 3.32Å; W106-T108 PolarHBondContact O-N 2.93Å; W106-N109 CarbonylContact O-C 3.12Å; W106-N109 PolarHBondContact O-N 3.44Å; W106-N109 VanDerWaalsContact O-N 3.09Å; W106-P110 HydrophobicContact CD2-CB 4.42Å; W106-P110 HydrophobicContact CZ2-CB 4.36Å; W106-P110 WeakPolarHBondContact O-CA 3.37Å; W106-P110 VanDerWaalsContact O-CD 3.24Å; W106-P110 WeakPolarHBondContact O-CD 3.47Å; W106-F113 HydrophobicContact CB-CD2 4.07Å; W106-F113 HydrophobicContact CB-CE1 4.29Å; W106-F113 HydrophobicContact CB-CE2 3.73Å; W106-F113 HydrophobicContact CB-CZ 3.83Å; W106-F113 AromaticContact CD1-CD2 3.72Å; W106-F113 AromaticContact CD1-CG 3.59Å; W106-F113 HydrophobicContact CG-CD2 4.25Å; W106-F113 HydrophobicContact CG-CE2 4.4Å; W106-F113 HydrophobicContact CG-CG 4.45Å |
| 107 | A | 89.8 | Confident | 84 | Confident | 57 Ų | 57 | 73.7 Ų | 73.7 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -32.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L103 | L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.04Å |
| 108 | T | 88.9 | Confident | 81.5 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.6 | -32.3 | 176.3 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | R104 W106 | R104-T108 WeakPolarHBondContact O-CB 3.34Å; R104-T108 PolarHBondContact O-N 3.03Å; R104-T108 PolarHBondContact O-OG1 3.14Å; W106-T108 PolarHBondContact O-N 2.93Å |
| 109 | N | 86.1 | Confident | 78.8 | Confident | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | trans | -158.2 | 87.3 | 178.8 | -169.1 | -19.9 | 0 | 0 | 0 | 112 | E105 W106 G111 L112 | E105-N109 PolarHBondContact O-N 2.88Å; E105-N109 VanDerWaalsContact O-N 3.12Å; W106-N109 CarbonylContact O-C 3.12Å; W106-N109 PolarHBondContact O-N 3.44Å; W106-N109 VanDerWaalsContact O-N 3.09Å; N109-G111 PolarHBondContact O-N 2.95Å; N109-G111 PolarHBondContact OD1-N 3.1Å; N109-L112 HydrophobicContact CB-CD1 3.89Å; N109-L112 HydrophobicContact CB-CG 4.04Å; N109-L112 PolarHBondContact O-N 3.36Å; N109-L112 VanDerWaalsContact O-N 3.14Å | ||
| 110 | P | 81.4 | Confident | 76.1 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 47% | 0.468 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22.4 | -177.3 | 24.8 | -33.1 | 0 | 0 | 0 | 112.3 | W106 L112 F113 | W106-P110 HydrophobicContact CD2-CB 4.42Å; W106-P110 HydrophobicContact CZ2-CB 4.36Å; W106-P110 WeakPolarHBondContact O-CA 3.37Å; W106-P110 VanDerWaalsContact O-CD 3.24Å; W106-P110 WeakPolarHBondContact O-CD 3.47Å; P110-L112 PolarHBondContact O-N 2.94Å; P110-F113 PolarHBondContact O-N 3.24Å; P110-F113 VanDerWaalsContact O-N 3.07Å |
| 111 | G | 78.9 | Confident | 73.2 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 37% | 0.371 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -19 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N109 F113 S114 | N109-G111 PolarHBondContact O-N 2.95Å; N109-G111 PolarHBondContact OD1-N 3.1Å; G111-F113 PolarHBondContact O-N 3.2Å; G111-S114 PolarHBondContact O-OG 3.1Å; G111-S114 VanDerWaalsContact O-OG 3.11Å |
| 112 | L | 75.1 | Confident | 70.9 | Confident | 84 Ų | 84 | 80 Ų | 80 | 44% | 0.44 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74.1 | -12 | 173.2 | -67.9 | 177 | 0 | 0 | 0 | 113.7 | N109 P110 | N109-L112 HydrophobicContact CB-CD1 3.89Å; N109-L112 HydrophobicContact CB-CG 4.04Å; N109-L112 PolarHBondContact O-N 3.36Å; N109-L112 VanDerWaalsContact O-N 3.14Å; P110-L112 PolarHBondContact O-N 2.94Å |
| 113 | F | 76.2 | Confident | 68.3 | Low | 8 Ų | 8 | 84.4 Ų | 84.4 | 4% | 0.035 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -108.3 | -13.9 | -176.7 | -67.7 | -107.7 | 0 | 0 | 0 | 112.9 | R47 V48 R51 E105 W106 P110 G111 | R47-F113 HydrophobicContact CB-CB 4.23Å; R47-F113 HydrophobicContact CB-CD1 4.32Å; R47-F113 WeakPolarHBondContact CG-O 3.25Å; V48-F113 HydrophobicContact CB-CE1 4.48Å; V48-F113 HydrophobicContact CG2-CD1 3.97Å; V48-F113 HydrophobicContact CG2-CE1 3.98Å; R51-F113 HydrophobicContact CB-CD1 4.47Å; R51-F113 HydrophobicContact CB-CE1 3.88Å; R51-F113 HydrophobicContact CG-CE1 4.21Å; E105-F113 HydrophobicContact CB-CE2 4.24Å; E105-F113 HydrophobicContact CB-CZ 4.04Å; W106-F113 HydrophobicContact CB-CD2 4.07Å; W106-F113 HydrophobicContact CB-CE1 4.29Å; W106-F113 HydrophobicContact CB-CE2 3.73Å; W106-F113 HydrophobicContact CB-CZ 3.83Å; W106-F113 AromaticContact CD1-CD2 3.72Å; W106-F113 AromaticContact CD1-CG 3.59Å; W106-F113 HydrophobicContact CG-CD2 4.25Å; W106-F113 HydrophobicContact CG-CE2 4.4Å; W106-F113 HydrophobicContact CG-CG 4.45Å; P110-F113 PolarHBondContact O-N 3.24Å; P110-F113 VanDerWaalsContact O-N 3.07Å; G111-F113 PolarHBondContact O-N 3.2Å |
| 114 | S | 68.1 | Low | 65.5 | Low | 94 Ų | 94 | 89.4 Ų | 89.4 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -80 | -25.1 | 172.9 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | G111 | G111-S114 PolarHBondContact O-OG 3.1Å; G111-S114 VanDerWaalsContact O-OG 3.11Å |
| 115 | Q | 62.5 | Low | 63 | Low | 133 Ų | 133 | 87.9 Ų | 87.9 | 62% | 0.621 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -67.1 | 142.8 | 173 | -66.1 | -164.5 | 1.4 | 0 | 0 | 111.1 | V117 | Q115-V117 PolarHBondContact O-N 3.14Š|
| 116 | P | 56.7 | Low | 60.5 | Low | 103 Ų | 103 | 89.6 Ų | 89.6 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | trans | -57.9 | 113.2 | 166 | -17.7 | 30.2 | 0 | 0 | 0 | 108.2 | P118 | P116-P118 WeakPolarHBondContact O-CD 3.46Å; P116-P118 VanDerWaalsContact O-N 3.08Å | ||
| 117 | V | 54.6 | Low | 57.9 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 38% | 0.382 | 60% | 0.603 | S | S | . | * | trans | -53.2 | 121.3 | 170.9 | -169.6 | 0 | 0 | 0 | 0 | 106.2 | Q115 A119 | Q115-V117 PolarHBondContact O-N 3.14Å; V117-A119 PolarHBondContact O-N 2.93Å | ||
| 118 | P | 43.8 | Very low | 55.3 | Low | 106 Ų | 106 | 102.4 Ų | 102.4 | 69% | 0.688 | 62% | 0.619 | S | S | * | * | trans | -53 | 119.3 | 179.5 | -27 | 34.7 | 0 | 0 | 0 | 107.8 | P116 V120 | P116-P118 WeakPolarHBondContact O-CD 3.46Å; P116-P118 VanDerWaalsContact O-N 3.08Å; P118-V120 VanDerWaalsContact C-N 3.25Å; P118-V120 PolarHBondContact O-N 3.38Å | ||
| 119 | A | 40 | Very low | 53.1 | Low | 95 Ų | 95 | 106.7 Ų | 106.7 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | trans | -63.4 | 97.3 | 175 | 0 | 0 | 0 | 0 | 0 | 106.1 | V117 P121 | V117-A119 PolarHBondContact O-N 2.93Å; A119-P121 WeakPolarHBondContact O-CD 3.17Å | ||
| 120 | V | 37.6 | Very low | 50.9 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | trans | -57.1 | 113.9 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 104.9 | P118 V122 | P118-V120 VanDerWaalsContact C-N 3.25Å; P118-V120 PolarHBondContact O-N 3.38Å; V120-V122 PolarHBondContact O-N 2.97Å; V120-V122 VanDerWaalsContact O-N 3.07Å | ||
| 121 | P | 35.6 | Very low | 48.3 | Very low | 92 Ų | 92 | 112.5 Ų | 112.5 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | trans | -61.7 | 122.6 | -178.8 | 24.3 | -31.9 | 0 | 0 | 0 | 107 | A119 S123 | A119-P121 WeakPolarHBondContact O-CD 3.17Å; P121-S123 PolarHBondContact O-N 3.39Å | ||
| 122 | V | 45.1 | Very low | 45.9 | Very low | 158 Ų | 158 | 120.3 Ų | 120.3 | 96% | 0.958 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -73.3 | 64.8 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | V120 | V120-V122 PolarHBondContact O-N 2.97Å; V120-V122 VanDerWaalsContact O-N 3.07Å |
| 123 | S | 41.4 | Very low | 43.7 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | trans | -170.3 | 72.9 | -172.2 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | P121 | P121-S123 PolarHBondContact O-N 3.39Š| ||
| 124 | S | 36 | Very low | 41.6 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -144.1 | 39.8 | 160.8 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 125 | I | 41 | Very low | 39.9 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -83.3 | 122.3 | 147.9 | -60.2 | 174.3 | 0 | 0 | 0 | 106 | L127 | I125-L127 PolarHBondContact O-N 2.96Š|
| 126 | P | 39.1 | Very low | 38.6 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -69.2 | 96.3 | 174.6 | 27.6 | -32.7 | 0 | 0 | 0 | 109.6 | F128 | P126-F128 PolarHBondContact O-N 3.27Š| ||
| 127 | L | 37.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -74.9 | 115.3 | 174.6 | -78.7 | 168.9 | 0 | 0 | 0 | 109.9 | I125 K129 | I125-L127 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 2.73Å | ||
| 128 | F | 35.9 | Very low | 36.8 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -65.9 | 120.8 | 168.9 | -62.8 | -88.5 | 0 | 0 | 0 | 109.4 | P126 I130 | P126-F128 PolarHBondContact O-N 3.27Å; F128-I130 PolarHBondContact O-N 3.49Å | ||
| 129 | K | 41.3 | Very low | 36.3 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -27.3 | 101.9 | 172 | -167.6 | 174.8 | -173.8 | 174.7 | 0 | 113.9 | L127 | L127-K129 PolarHBondContact O-N 2.73Š| ||
| 130 | I | 40 | Very low | 35.7 | Very low | 160 Ų | 160 | 139 Ų | 139 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | trans | -118.8 | 132.7 | 157.6 | 47.9 | 164.9 | 0 | 0 | 0 | 108.3 | F128 | F128-I130 PolarHBondContact O-N 3.49Š| ||
| 131 | S | 28.1 | Very low | 35.6 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -68.1 | 143.2 | -172.4 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | T133 | S131-T133 PolarHBondContact O-N 2.94Š| ||
| 132 | E | 28.1 | Very low | 35.3 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -64.8 | 127.3 | 171.1 | -163.4 | 173.7 | 118.9 | 0 | 0 | 110.2 | ||||
| 133 | T | 29.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | -140.3 | 140.8 | 174.6 | 148.5 | 0 | 0 | 0 | 0 | 109.2 | S131 | S131-T133 PolarHBondContact O-N 2.94Š| ||
| 134 | A | 30.7 | Very low | 34.1 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | 74.6 | 70.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 135 | G | 33 | Very low | 33.9 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -79.5 | 134.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 136 | T | 34.3 | Very low | 33.3 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -65.1 | 132.7 | 179.5 | -50.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 137 | R | 37.3 | Very low | 32.9 | Very low | 235 Ų | 235 | 143.9 Ų | 143.9 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | 176.4 | 142.6 | 121 | -96.9 | 178.5 | -69.8 | -166.9 | 4.4 | 114.7 | |||||
| 138 | K | 36.7 | Very low | 33.6 | Very low | 214 Ų | 214 | 142.5 Ų | 142.5 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -81.2 | 130.5 | 166.8 | 172.5 | -170.7 | -179.3 | -175.6 | 0 | 109.1 | ||||
| 139 | G | 32.8 | Very low | 33.2 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | 170.2 | 108.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 140 | S | 28.6 | Very low | 32.8 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | 70.8 | 160 | 156.5 | -141.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 141 | M | 35.7 | Very low | 32.5 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -122 | 147.4 | -166.2 | -42.8 | 179.6 | 77.2 | 0 | 0 | 110.6 | ||||
| 142 | S | 29.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -177.7 | 152.8 | 136.3 | -162.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 143 | N | 30.7 | Very low | 32.8 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -25 | 133.4 | 174.6 | -72.3 | -0.8 | 0 | 0 | 0 | 119.8 | ||||
| 144 | G | 29.9 | Very low | 32.7 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | 110.4 | 129.2 | 86.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 145 | H | 31.3 | Very low | 32.9 | Very low | 208 Ų | 208 | 128.4 Ų | 128.4 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | 83.8 | 132.8 | 149.4 | -139.8 | -93.5 | 0 | 0 | 0 | 120.1 | ||||
| 146 | G | 29.3 | Very low | 32.9 | Very low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 113.9 | 79.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 147 | S | 31.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -120.1 | 171.9 | 149.7 | -76.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 148 | P | 51.4 | Low | 32.5 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | cis | -140.4 | -175.9 | 10.3 | 43 | -25.1 | 0 | 0 | 0 | 116.5 | ||||
| 149 | G | 28.2 | Very low | 32.2 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 104.4 | 148.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 150 | E | 32.1 | Very low | 32.5 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | cis | -156.4 | 151.1 | -8.2 | -74.6 | -165.6 | 82.7 | 0 | 0 | 110 | ||||
| 151 | K | 34.8 | Very low | 32.6 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 78% | 0.778 | 81% | 0.805 | S | S | * | * | trans | 51.8 | 165.8 | 147.2 | -69.7 | 170.8 | -174.3 | 144 | 0 | 120.1 | ||||
| 152 | A | 31.5 | Very low | 32.2 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | cis | -170.5 | 159.2 | -35.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 153 | G | 30.1 | Very low | 32.5 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 126.6 | 107.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 154 | S | 28.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | 58.5 | 105.8 | 129.2 | -145.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 155 | A | 33.5 | Very low | 32.8 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | 23.7 | 127.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 156 | R | 32.8 | Very low | 32.7 | Very low | 240 Ų | 240 | 135.5 Ų | 135.5 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | -172.1 | 151.9 | 103.9 | -99.4 | 166.5 | 179.4 | -167.5 | -1.2 | 112.4 | |||||
| 157 | S | 33.8 | Very low | 32.7 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | trans | -71.8 | 146.9 | 168 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 158 | F | 29.5 | Very low | 32.5 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | -170.1 | 138.1 | 133.9 | -85.7 | -58.4 | 0 | 0 | 0 | 111.2 | ||||
| 159 | S | 30.4 | Very low | 31.6 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -114.5 | 147.5 | 155 | -61.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 160 | P | 39.3 | Very low | 31.7 | Very low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | -158.8 | 163.9 | 78.1 | 41.1 | -20.8 | 0 | 0 | 0 | 119.2 | |||||
| 161 | K | 30.9 | Very low | 31.7 | Very low | 208 Ų | 208 | 144.6 Ų | 144.6 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | 64.5 | 151.2 | 142.2 | -78.5 | 175.9 | 174.8 | 174.6 | 0 | 122.3 | ||||
| 162 | S | 27.5 | Very low | 32.6 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 159.2 | -169.5 | -42.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 163 | P | 34.4 | Very low | 32.7 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 161.6 | 173.6 | -9 | 27.6 | 0 | 0 | 0 | 114.1 | ||
| 164 | L | 29.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 165.1 | 166.7 | -109.8 | 151.7 | 0 | 0 | 0 | 110.4 | ||
| 165 | E | 37 | Very low | 33.3 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.9 | -174.9 | -66.1 | -93.8 | 104 | 0 | 0 | 116.1 | ||
| 166 | L | 30.8 | Very low | 32.9 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -159.6 | 131.1 | 159.8 | -173.1 | 136.3 | 0 | 0 | 0 | 106.9 | ||||
| 167 | G | 28.6 | Very low | 33.3 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | cis | 132.5 | 97 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 168 | E | 28.1 | Very low | 33 | Very low | 202 Ų | 202 | 138 Ų | 138 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | trans | -129.3 | 149.6 | 179.6 | -69.9 | -163.6 | 109.1 | 0 | 0 | 113.5 | ||||
| 169 | K | 31.4 | Very low | 33 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | trans | -104.4 | 153.1 | -162.7 | -66.5 | 165.9 | 163.2 | -74.3 | 0 | 112.7 | ||||
| 170 | L | 29.7 | Very low | 32.9 | Very low | 178 Ų | 178 | 132.3 Ų | 132.3 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | trans | -142 | 159.6 | 135.8 | -72.9 | -177.2 | 0 | 0 | 0 | 110.5 | ||||
| 171 | S | 33 | Very low | 32.6 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | -157.1 | -176.5 | -177.4 | -51.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 172 | P | 54.3 | Low | 33.1 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | cis | -144.3 | 164 | 1.4 | 42.1 | -23.1 | 0 | 0 | 0 | 118.7 | ||||
| 173 | L | 32.3 | Very low | 33.4 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | 62.1 | 169.2 | 140.1 | -73.8 | 170.3 | 0 | 0 | 0 | 122 | ||||
| 174 | P | 44.7 | Very low | 33.3 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | cis | -129.9 | 167.2 | -11.5 | 28.6 | -7.8 | 0 | 0 | 0 | 116.4 | ||||
| 175 | G | 27.3 | Very low | 33.1 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 167 | 95.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 176 | G | 26.3 | Very low | 33.4 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -104.9 | -159.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 177 | P | 40.1 | Very low | 33.2 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | cis | -140.1 | -177.7 | 9.5 | 43 | -25.1 | 0 | 0 | 0 | 116.5 | ||||
| 178 | G | 27.4 | Very low | 33.2 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 98.8 | 110.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 179 | A | 30.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | cis | 95.6 | 124.9 | 42.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 180 | G | 28.9 | Very low | 33.1 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 115 | 98 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 181 | D | 32.2 | Very low | 33.6 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -66.6 | 159.3 | 140.9 | -162.8 | 39.6 | 0 | 0 | 0 | 107.6 | ||||
| 182 | P | 40.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 52% | 0.519 | 79% | 0.788 | S | S | . | * | cis | -142.7 | -174.7 | 12.7 | 42.2 | -21.7 | 0 | 0 | 0 | 116.8 | ||||
| 183 | R | 34 | Very low | 32.3 | Very low | 209 Ų | 209 | 129.1 Ų | 129.1 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | 51.8 | 125.6 | 140.8 | -84.5 | -169.3 | -63.2 | 175.8 | 0 | 121.9 | ||||
| 184 | I | 32 | Very low | 32.3 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 67% | 0.672 | 79% | 0.786 | S | S | * | * | trans | 96.7 | 146.1 | 141.2 | -58.2 | 153.2 | 0 | 0 | 0 | 119.3 | ||||
| 185 | W | 26.9 | Very low | 31.7 | Very low | 233 Ų | 233 | 128.7 Ų | 128.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | 76.9 | 163.1 | 165.7 | -74.4 | 136.1 | 0 | 0 | 0 | 119.2 | ||||
| 186 | P | 43.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | cis | -130.1 | 174.1 | -38.3 | 36.1 | -20.4 | 0 | 0 | 0 | 113 | ||||
| 187 | G | 25.4 | Very low | 32 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -81.6 | 175.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 188 | R | 28.5 | Very low | 31.5 | Very low | 246 Ų | 246 | 127 Ų | 127 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -151.7 | 131.2 | 158.3 | -157.6 | 167.7 | -170.9 | -101.9 | 2.2 | 111.9 | ||||
| 189 | S | 27.5 | Very low | 31.6 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 159.5 | 180 | -31.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 190 | T | 31 | Very low | 31.7 | Very low | 139 Ų | 139 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -130.3 | 144.8 | 150.9 | 47.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 191 | P | 39.7 | Very low | 32 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -127.2 | 179 | -150 | 37.4 | -18.2 | 0 | 0 | 0 | 116 | ||||
| 192 | E | 26.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 78.5 | 111.7 | 161.5 | -45.3 | -158.2 | 93.4 | 0 | 0 | 117 | ||||
| 193 | S | 33.5 | Very low | 31.7 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | 89.8 | 144.3 | 73.2 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 194 | D | 31.2 | Very low | 31.3 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | -156.7 | -177.2 | 16.2 | -154.7 | -81.7 | 0 | 0 | 0 | 111.6 | ||||
| 195 | V | 32.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 70.6 | 121.7 | 171.3 | -162.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 196 | G | 29.4 | Very low | 32.3 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | cis | 119 | 139.9 | 25.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 197 | A | 31.5 | Very low | 32.7 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | cis | -163.1 | 171.3 | 4.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 198 | G | 28.8 | Very low | 32.8 | Very low | 81 Ų | 81 | 130 Ų | 130 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 85.2 | 127.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 199 | G | 29.4 | Very low | 33.1 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | 105.6 | 129.6 | 44.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 200 | E | 32.4 | Very low | 34 | Very low | 193 Ų | 193 | 124.2 Ų | 124.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | cis | -162.2 | -166.6 | 10.9 | 57.8 | -153.4 | 71 | 0 | 0 | 110.3 | ||||
| 201 | E | 35.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -98.4 | 175.3 | -173.1 | -56.8 | 179.5 | 104.4 | 0 | 0 | 111.9 | ||||
| 202 | E | 34.1 | Very low | 34.1 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | cis | -158 | -178.3 | 12.8 | -141.2 | -89.2 | 88.9 | 0 | 0 | 109.2 | ||||
| 203 | A | 32.2 | Very low | 34.2 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | trans | 37.5 | 143.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 204 | G | 26.7 | Very low | 34.1 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 130.7 | 113.1 | 132.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 205 | S | 29.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -99.9 | -177.7 | 154.1 | -43.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 206 | P | 49 | Very low | 34 | Very low | 121 Ų | 121 | 115.9 Ų | 115.9 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -131.2 | -120.6 | -2.5 | 24.7 | 3.4 | 0 | 0 | 0 | 113.5 | ||||
| 207 | P | 53.8 | Low | 34.9 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | -124 | 173 | -105 | 40 | -24.4 | 0 | 0 | 0 | 115.5 | |||||
| 208 | F | 26.7 | Very low | 34.9 | Very low | 209 Ų | 209 | 122.4 Ų | 122.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -152.1 | 144.7 | 153.4 | -102.7 | -76.4 | 0 | 0 | 0 | 114.6 | ||||
| 209 | S | 34.3 | Very low | 34.9 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -142 | 163.7 | 162.6 | -61.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 210 | P | 46.3 | Very low | 35.1 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | cis | -144.4 | -139.3 | 38.6 | 38.7 | -11.9 | 0 | 0 | 0 | 109.8 | ||||
| 211 | P | 42.7 | Very low | 34.8 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | cis | -131.3 | -168 | -9.2 | 38.4 | -16.3 | 0 | 0 | 0 | 116.1 | ||||
| 212 | A | 31.7 | Very low | 34.8 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -125.6 | 172.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 213 | G | 28.6 | Very low | 34.6 | Very low | 84 Ų | 84 | 113.2 Ų | 113.2 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | 100.9 | 139.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 214 | G | 30.4 | Very low | 34.4 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | cis | 155.5 | 136.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 215 | G | 26.8 | Very low | 34.9 | Very low | 81 Ų | 81 | 117.8 Ų | 117.8 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | trans | 134.9 | 135.2 | 172 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 216 | V | 34.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 117.4 Ų | 117.4 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | trans | -128.1 | 153.2 | 166.1 | -112.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 217 | P | 48.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | -154.7 | 176.8 | 69.1 | 40.7 | -19.3 | 0 | 0 | 0 | 118.5 | |||||
| 218 | E | 31.9 | Very low | 33.4 | Very low | 202 Ų | 202 | 115.7 Ų | 115.7 | 94% | 0.944 | 85% | 0.851 | S | S | * | * | trans | 33.7 | 134.5 | 154 | -83.3 | -176.5 | 91.9 | 0 | 0 | 123.4 | ||||
| 219 | G | 27.8 | Very low | 33.6 | Very low | 78 Ų | 78 | 109.1 Ų | 109.1 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | 172.8 | 110.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 220 | T | 33.1 | Very low | 33.6 | Very low | 158 Ų | 158 | 111.2 Ų | 111.2 | 97% | 0.969 | 85% | 0.851 | S | S | * | * | trans | -55.5 | 135.3 | 177.9 | -36.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 221 | G | 27 | Very low | 33.2 | Very low | 75 Ų | 75 | 109.4 Ų | 109.4 | 77% | 0.773 | 85% | 0.854 | S | S | * | * | trans | 177.2 | 141.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 222 | A | 35.5 | Very low | 32.8 | Very low | 113 Ų | 113 | 106.1 Ų | 106.1 | 93% | 0.934 | 84% | 0.843 | S | S | * | * | trans | -92 | 149.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 223 | G | 29 | Very low | 33.6 | Very low | 78 Ų | 78 | 102.9 Ų | 102.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 125.5 | 116.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 224 | G | 29.6 | Very low | 34.9 | Very low | 71 Ų | 71 | 103.8 Ų | 103.8 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 79.4 | 110.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 225 | L | 35.4 | Very low | 36.7 | Very low | 181 Ų | 181 | 106 Ų | 106 | 95% | 0.948 | 80% | 0.802 | S | S | * | * | trans | 60.3 | 89.4 | 135.2 | -53.1 | 173.6 | 0 | 0 | 0 | 119 | ||||
| 226 | A | 34.8 | Very low | 39.3 | Very low | 108 Ų | 108 | 112.2 Ų | 112.2 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | -178.3 | 119 | 125.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 227 | A | 34.8 | Very low | 41.8 | Very low | 107 Ų | 107 | 106.2 Ų | 106.2 | 88% | 0.884 | 76% | 0.764 | S | S | * | * | trans | -140.1 | 88 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 228 | G | 31.3 | Very low | 43.8 | Very low | 83 Ų | 83 | 105.6 Ų | 105.6 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -84.8 | 132.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 229 | G | 32.2 | Very low | 46.6 | Very low | 71 Ų | 71 | 100.4 Ų | 100.4 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | 87.8 | 92.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 230 | T | 33.7 | Very low | 49.6 | Very low | 150 Ų | 150 | 100.5 Ų | 100.5 | 92% | 0.92 | 71% | 0.714 | S | S | * | * | -175.2 | 146 | 120.8 | 23 | 0 | 0 | 0 | 0 | 109.7 | G232 | T230-G232 PolarHBondContact O-N 3.43Š| |||
| 231 | G | 36.9 | Very low | 52.3 | Low | 84 Ų | 84 | 94.2 Ų | 94.2 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | trans | -74.7 | 73 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 232 | G | 34.8 | Very low | 55.5 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | trans | -90.5 | 113.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T230 | T230-G232 PolarHBondContact O-N 3.43Š| ||
| 233 | G | 48.9 | Very low | 58.3 | Low | 36 Ų | 36 | 94.1 Ų | 94.1 | 37% | 0.371 | 63% | 0.63 | S | S | . | * | trans | -62.9 | 153.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | D235 | G233-D235 PolarHBondContact O-N 3.44Å; G233-D235 VanDerWaalsContact O-N 3.13Å | ||
| 234 | P | 55.3 | Low | 61.3 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | trans | -67.7 | 115.1 | -176.1 | 28.7 | -35 | 0 | 0 | 0 | 110.6 | R236 L320 | P234-R236 PolarHBondContact O-N 3.42Å; P234-R236 VanDerWaalsContact O-N 3.13Å; P234-L320 WeakPolarHBondContact O-CD1 3.43Å | ||
| 235 | D | 69.4 | Low | 64.4 | Low | 132 Ų | 132 | 87.5 Ų | 87.5 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -69.3 | -5.1 | 177 | -159.2 | 42.8 | 0 | 0 | 0 | 112.9 | G233 | G233-D235 PolarHBondContact O-N 3.44Å; G233-D235 VanDerWaalsContact O-N 3.13Å |
| 236 | R | 81.1 | Confident | 67.3 | Low | 212 Ų | 212 | 80.5 Ų | 80.5 | 80% | 0.8 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -131.2 | 141.6 | -179.3 | -173.8 | 179.4 | 176.5 | -162 | -0.4 | 109.6 | P234 | P234-R236 PolarHBondContact O-N 3.42Å; P234-R236 VanDerWaalsContact O-N 3.13Å |
| 237 | L | 87.3 | Confident | 70.1 | Confident | 16 Ų | 16 | 80.2 Ų | 80.2 | 8% | 0.084 | 50% | 0.504 | C | S | . | . | trans | -60.8 | 142.8 | 173 | -69.4 | 176.7 | 0 | 0 | 0 | 111.8 | M241 V242 L317 L320 E324 | L237-M241 HydrophobicContact CD1-CG 4.49Å; L237-M241 HydrophobicContact CD2-CG 4.23Å; L237-V242 HydrophobicContact CB-CG2 3.61Å; L237-V242 HydrophobicContact CD1-CG2 4.35Å; L237-L317 HydrophobicContact CD2-CD1 3.66Å; L237-L320 HydrophobicContact CD2-CB 3.48Å; L237-L320 VanDerWaalsContact CD2-CB 3.48Å; L237-L320 HydrophobicContact CD2-CD1 4.43Å; L237-L320 HydrophobicContact CG-CB 3.89Å; L237-E324 HydrophobicContact CD1-CB 3.43Å; L237-E324 VanDerWaalsContact CD1-CB 3.43Å; L237-E324 HydrophobicContact CD1-CG 3.91Å | ||
| 238 | E | 90.3 | Very high | 72.9 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 47% | 0.467 | 46% | 0.462 | S | S | . | . | trans | -59.9 | 138.3 | 169.5 | -178 | -69.3 | 126.4 | 0 | 0 | 109.9 | E240 M241 V242 | E238-E240 PolarHBondContact O-N 2.77Å; E238-E240 WeakPolarHBondContact OE1-CB 3.31Å; E238-E240 PolarHBondContact OE1-N 2.97Å; E238-E240 WeakPolarHBondContact OE2-CA 3.48Å; E238-E240 VanDerWaalsContact OE2-CB 3.32Å; E238-E240 WeakPolarHBondContact OE2-CB 3.32Å; E238-E240 PolarHBondContact OE2-N 3.32Å; E238-E240 VanDerWaalsContact OE2-N 3.09Å; E238-M241 WeakPolarHBondContact O-CB 3.38Å; E238-M241 PolarHBondContact O-N 2.87Å; E238-M241 VanDerWaalsContact O-N 3.1Å; E238-M241 PolarHBondContact OE2-N 2.99Å; E238-V242 PolarHBondContact O-N 3.08Å | ||
| 239 | P | 90.9 | Very high | 76 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 60% | 0.597 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.2 | -27.8 | -168.9 | 24 | -35.2 | 0 | 0 | 0 | 115.6 | V242 R243 | P239-V242 PolarHBondContact O-N 3.42Å; P239-R243 WeakPolarHBondContact O-CG 3.5Å; P239-R243 PolarHBondContact O-N 2.84Å; P239-R243 VanDerWaalsContact O-N 3.08Å |
| 240 | E | 89.9 | Confident | 78.8 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 169 | -170.2 | 177.5 | 166.6 | 0 | 0 | 111.8 | E238 V242 R243 M244 K361 | E238-E240 PolarHBondContact O-N 2.77Å; E238-E240 WeakPolarHBondContact OE1-CB 3.31Å; E238-E240 PolarHBondContact OE1-N 2.97Å; E238-E240 WeakPolarHBondContact OE2-CA 3.48Å; E238-E240 VanDerWaalsContact OE2-CB 3.32Å; E238-E240 WeakPolarHBondContact OE2-CB 3.32Å; E238-E240 PolarHBondContact OE2-N 3.32Å; E238-E240 VanDerWaalsContact OE2-N 3.09Å; E240-V242 VanDerWaalsContact C-N 3.28Å; E240-V242 PolarHBondContact O-N 2.86Å; E240-R243 PolarHBondContact O-N 3.38Å; E240-R243 VanDerWaalsContact O-N 3.14Å; E240-M244 WeakPolarHBondContact O-CG 3.44Å; E240-M244 PolarHBondContact O-N 3.3Å; E240-K361 IonicContact OE1-NZ 3.15Å; E240-K361 PolarHBondContact OE1-NZ 3.24Å |
| 241 | M | 90.4 | Very high | 81.6 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 13% | 0.128 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.2 | -40 | 172.7 | -176.5 | 59.7 | 66.3 | 0 | 0 | 111.8 | L237 E238 M244 V245 S358 | L237-M241 HydrophobicContact CD1-CG 4.49Å; L237-M241 HydrophobicContact CD2-CG 4.23Å; E238-M241 WeakPolarHBondContact O-CB 3.38Å; E238-M241 PolarHBondContact O-N 2.87Å; E238-M241 VanDerWaalsContact O-N 3.1Å; E238-M241 PolarHBondContact OE2-N 2.99Å; M241-M244 WeakPolarHBondContact O-CB 3.43Å; M241-M244 PolarHBondContact O-N 3.1Å; M241-V245 WeakPolarHBondContact O-CG2 3.49Å; M241-V245 PolarHBondContact O-N 2.87Å; M241-S358 WeakPolarHBondContact CE-OG 3.44Å |
| 242 | V | 93.7 | Very high | 84.2 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | L237 E238 P239 E240 M244 V245 V246 E324 | L237-V242 HydrophobicContact CB-CG2 3.61Å; L237-V242 HydrophobicContact CD1-CG2 4.35Å; E238-V242 PolarHBondContact O-N 3.08Å; P239-V242 PolarHBondContact O-N 3.42Å; E240-V242 VanDerWaalsContact C-N 3.28Å; E240-V242 PolarHBondContact O-N 2.86Å; V242-M244 VanDerWaalsContact C-N 3.35Å; V242-M244 PolarHBondContact O-N 3.34Å; V242-V245 WeakPolarHBondContact O-CB 3.33Å; V242-V245 PolarHBondContact O-N 3.03Å; V242-V246 HydrophobicContact CG1-CG2 4.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.42Å; V242-V246 PolarHBondContact O-N 3.21Å; V242-E324 HydrophobicContact CG1-CG 4.41Å |
| 243 | R | 94 | Very high | 86.6 | Confident | 151 Ų | 151 | 63.9 Ų | 63.9 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.3 | -45 | 175.4 | -70.7 | 179.9 | -67.4 | 174.9 | 4.2 | 111.9 | P239 E240 V245 V246 E247 | P239-R243 WeakPolarHBondContact O-CG 3.5Å; P239-R243 PolarHBondContact O-N 2.84Å; P239-R243 VanDerWaalsContact O-N 3.08Å; E240-R243 PolarHBondContact O-N 3.38Å; E240-R243 VanDerWaalsContact O-N 3.14Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.9Å; R243-V246 PolarHBondContact O-N 3.07Å; R243-E247 WeakPolarHBondContact O-CG 3.35Å; R243-E247 PolarHBondContact O-N 3.2Å |
| 244 | M | 92.6 | Very high | 88.4 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 176.3 | -70.7 | -64.2 | -59.7 | 0 | 0 | 113.2 | E240 M241 V242 S248 L357 K361 | E240-M244 WeakPolarHBondContact O-CG 3.44Å; E240-M244 PolarHBondContact O-N 3.3Å; M241-M244 WeakPolarHBondContact O-CB 3.43Å; M241-M244 PolarHBondContact O-N 3.1Å; V242-M244 VanDerWaalsContact C-N 3.35Å; V242-M244 PolarHBondContact O-N 3.34Å; M244-S248 WeakPolarHBondContact O-CB 3.34Å; M244-S248 PolarHBondContact O-N 2.86Å; M244-S248 PolarHBondContact O-OG 3Å; M244-L357 HydrophobicContact CE-CB 3.38Å; M244-L357 HydrophobicContact CE-CD1 3.69Å; M244-L357 HydrophobicContact CE-CG 4.14Å; M244-K361 HydrophobicContact CE-CD 4.48Å; M244-K361 HydrophobicContact SD-CD 4.2Å; M244-K361 PolarHBondContact SD-NZ 3.09Å |
| 245 | V | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 174.5 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | M241 V242 R243 S248 V249 T321 E324 A325 Q328 V350 | M241-V245 WeakPolarHBondContact O-CG2 3.49Å; M241-V245 PolarHBondContact O-N 2.87Å; V242-V245 WeakPolarHBondContact O-CB 3.33Å; V242-V245 PolarHBondContact O-N 3.03Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.9Å; V245-S248 PolarHBondContact O-N 3.26Å; V245-V249 HydrophobicContact CG1-CG2 4.3Å; V245-V249 WeakPolarHBondContact O-CB 3.44Å; V245-V249 VanDerWaalsContact O-CG2 3.32Å; V245-V249 WeakPolarHBondContact O-CG2 3.29Å; V245-V249 PolarHBondContact O-N 3.04Å; V245-T321 HydrophobicContact CG2-CG2 3.74Å; V245-E324 HydrophobicContact CG1-CB 4.49Å; V245-E324 HydrophobicContact CG1-CG 4.01Å; V245-A325 HydrophobicContact CG1-CB 3.94Å; V245-Q328 HydrophobicContact CG1-CG 4.44Å; V245-V350 HydrophobicContact CB-CG1 4.38Å; V245-V350 HydrophobicContact CG1-CG1 4.06Å; V245-V350 HydrophobicContact CG2-CG1 4.25Å |
| 246 | V | 94.9 | Very high | 89.4 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -51.9 | 178 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | V242 R243 S248 V249 E250 Q328 | V242-V246 HydrophobicContact CG1-CG2 4.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.42Å; V242-V246 PolarHBondContact O-N 3.21Å; R243-V246 PolarHBondContact O-N 3.07Å; V246-S248 PolarHBondContact O-N 2.87Å; V246-V249 PolarHBondContact O-N 2.93Å; V246-E250 WeakPolarHBondContact O-CG 3.45Å; V246-E250 PolarHBondContact O-N 2.83Å; V246-Q328 HydrophobicContact CG2-CG 4.18Å |
| 247 | E | 94.1 | Very high | 88.6 | Confident | 102 Ų | 102 | 63 Ų | 63 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.9 | -37 | 178.2 | -73.9 | 176 | -163.9 | 0 | 0 | 112.5 | R243 R251 | R243-E247 WeakPolarHBondContact O-CG 3.35Å; R243-E247 PolarHBondContact O-N 3.2Å; E247-R251 WeakPolarHBondContact O-CB 3.49Å; E247-R251 PolarHBondContact O-N 3.15Å |
| 248 | S | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -78.3 | -39.5 | -178.5 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | M244 V245 V246 E250 R251 I252 | M244-S248 WeakPolarHBondContact O-CB 3.34Å; M244-S248 PolarHBondContact O-N 2.86Å; M244-S248 PolarHBondContact O-OG 3Å; V245-S248 PolarHBondContact O-N 3.26Å; V246-S248 PolarHBondContact O-N 2.87Å; S248-E250 VanDerWaalsContact C-N 3.31Å; S248-E250 PolarHBondContact O-N 3.29Å; S248-R251 VanDerWaalsContact CA-NH1 3.35Å; S248-R251 VanDerWaalsContact CB-NH1 3.32Å; S248-R251 PolarHBondContact O-N 3.05Å; S248-R251 PolarHBondContact OG-NH1 3.01Å; S248-R251 PolarHBondContact OG-NH2 2.97Å; S248-I252 WeakPolarHBondContact O-CB 3.45Å; S248-I252 VanDerWaalsContact O-CG1 3.3Å; S248-I252 WeakPolarHBondContact O-CG1 3.22Å; S248-I252 PolarHBondContact O-N 2.84Å |
| 249 | V | 95 | Very high | 86.2 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 168.7 | 166.2 | 0 | 0 | 0 | 0 | 109.9 | V245 V246 I252 F253 A325 Q328 F329 V350 | V245-V249 HydrophobicContact CG1-CG2 4.3Å; V245-V249 WeakPolarHBondContact O-CB 3.44Å; V245-V249 VanDerWaalsContact O-CG2 3.32Å; V245-V249 WeakPolarHBondContact O-CG2 3.29Å; V245-V249 PolarHBondContact O-N 3.04Å; V246-V249 PolarHBondContact O-N 2.93Å; V249-I252 PolarHBondContact O-N 3.14Å; V249-F253 WeakPolarHBondContact O-CB 3.27Å; V249-F253 PolarHBondContact O-N 3.48Å; V249-A325 HydrophobicContact CG2-CB 4.42Å; V249-Q328 HydrophobicContact CB-CB 4.31Å; V249-Q328 HydrophobicContact CG1-CB 4.07Å; V249-Q328 HydrophobicContact CG2-CB 3.87Å; V249-F329 HydrophobicContact CB-CE1 4.35Å; V249-F329 HydrophobicContact CB-CZ 4.32Å; V249-F329 HydrophobicContact CG1-CD1 3.8Å; V249-F329 HydrophobicContact CG1-CE1 3.83Å; V249-F329 HydrophobicContact CG1-CG 4.21Å; V249-F329 HydrophobicContact CG1-CZ 4.27Å; V249-F329 HydrophobicContact CG2-CD2 4.17Å; V249-F329 HydrophobicContact CG2-CE1 4.36Å; V249-F329 HydrophobicContact CG2-CE2 3.86Å; V249-F329 HydrophobicContact CG2-CZ 3.95Å; V249-V350 HydrophobicContact CG2-CG1 4.4Å; V249-V350 HydrophobicContact CG2-CG2 3.9Å |
| 250 | E | 92.9 | Very high | 85 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 178.3 | -70.6 | -174.7 | 176.8 | 0 | 0 | 113.7 | V246 S248 I252 F253 R254 R332 | V246-E250 WeakPolarHBondContact O-CG 3.45Å; V246-E250 PolarHBondContact O-N 2.83Å; S248-E250 VanDerWaalsContact C-N 3.31Å; S248-E250 PolarHBondContact O-N 3.29Å; E250-I252 VanDerWaalsContact C-N 3.3Å; E250-I252 PolarHBondContact O-N 2.96Å; E250-F253 PolarHBondContact O-N 3.44Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.33Å; E250-R254 PolarHBondContact O-N 2.9Å; E250-R254 IonicContact OE2-CZ 2.72Å; E250-R254 IonicContact OE2-NH2 3.87Å; E250-R254 PolarHBondContact OE2-NH2 2.97Å; E250-R332 IonicContact OE1-CZ 2.84Å; E250-R332 IonicContact OE1-NH2 3.57Å; E250-R332 PolarHBondContact OE1-NH2 3.19Å |
| 251 | R | 92.1 | Very high | 83.8 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 176.1 | -171.6 | -168.6 | -49 | 108.3 | 14.4 | 111 | E247 S248 E353 | E247-R251 WeakPolarHBondContact O-CB 3.49Å; E247-R251 PolarHBondContact O-N 3.15Å; S248-R251 VanDerWaalsContact CA-NH1 3.35Å; S248-R251 VanDerWaalsContact CB-NH1 3.32Å; S248-R251 PolarHBondContact O-N 3.05Å; S248-R251 PolarHBondContact OG-NH1 3.01Å; S248-R251 PolarHBondContact OG-NH2 2.97Å; R251-E353 IonicContact NH1-OE2 3.32Å; R251-E353 PolarHBondContact NH1-OE2 3.41Å |
| 252 | I | 90.2 | Very high | 83 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 174.4 | -68.6 | 170.6 | 0 | 0 | 0 | 109.2 | S248 V249 E250 R254 S255 F256 F329 L346 Q349 V350 | S248-I252 WeakPolarHBondContact O-CB 3.45Å; S248-I252 VanDerWaalsContact O-CG1 3.3Å; S248-I252 WeakPolarHBondContact O-CG1 3.22Å; S248-I252 PolarHBondContact O-N 2.84Å; V249-I252 PolarHBondContact O-N 3.14Å; E250-I252 VanDerWaalsContact C-N 3.3Å; E250-I252 PolarHBondContact O-N 2.96Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 3.28Å; I252-S255 WeakPolarHBondContact O-CA 3.34Å; I252-S255 WeakPolarHBondContact O-CB 3.27Å; I252-S255 PolarHBondContact O-N 3.49Å; I252-S255 PolarHBondContact O-OG 3.12Å; I252-F256 HydrophobicContact CG2-CD2 4.03Å; I252-F256 HydrophobicContact CG2-CE2 3.6Å; I252-F256 WeakPolarHBondContact O-CD2 3.49Å; I252-F329 HydrophobicContact CB-CE1 4.42Å; I252-F329 HydrophobicContact CB-CZ 4.3Å; I252-F329 HydrophobicContact CD1-CZ 4.25Å; I252-F329 HydrophobicContact CG2-CE1 4.05Å; I252-F329 HydrophobicContact CG2-CZ 4.02Å; I252-L346 HydrophobicContact CG2-CD2 4.21Å; I252-Q349 HydrophobicContact CD1-CG 3.98Å; I252-V350 HydrophobicContact CD1-CG2 3.54Å |
| 253 | F | 85.8 | Confident | 82.3 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 17% | 0.171 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -32.6 | -174.6 | -156.1 | -91.4 | 0 | 0 | 0 | 113.8 | V249 E250 S255 F256 F329 R332 D333 | V249-F253 WeakPolarHBondContact O-CB 3.27Å; V249-F253 PolarHBondContact O-N 3.48Å; E250-F253 PolarHBondContact O-N 3.44Å; F253-S255 PolarHBondContact O-N 3.42Å; F253-F256 PolarHBondContact O-N 3.16Å; F253-F256 VanDerWaalsContact O-N 3.07Å; F253-F329 HydrophobicContact CD2-CD1 4.28Å; F253-R332 HydrophobicContact CD2-CB 4.16Å; F253-R332 HydrophobicContact CE1-CB 4.17Å; F253-R332 HydrophobicContact CE2-CB 3.79Å; F253-R332 HydrophobicContact CZ-CB 3.79Å; F253-D333 HydrophobicContact CE2-CB 3.75Å; F253-D333 HydrophobicContact CZ-CB 3.86Å |
| 254 | R | 85.9 | Confident | 81.8 | Confident | 180 Ų | 180 | 66.2 Ų | 66.2 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.3 | 170.7 | -73.7 | 174.1 | -163.8 | 104.2 | 6.2 | 113.4 | E250 I252 | E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.33Å; E250-R254 PolarHBondContact O-N 2.9Å; E250-R254 IonicContact OE2-CZ 2.72Å; E250-R254 IonicContact OE2-NH2 3.87Å; E250-R254 PolarHBondContact OE2-NH2 2.97Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 3.28Å |
| 255 | S | 79.6 | Confident | 81.3 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -3.1 | 176.4 | 73.8 | 0 | 0 | 0 | 0 | 114.3 | I252 F253 | I252-S255 WeakPolarHBondContact O-CA 3.34Å; I252-S255 WeakPolarHBondContact O-CB 3.27Å; I252-S255 PolarHBondContact O-N 3.49Å; I252-S255 PolarHBondContact O-OG 3.12Å; F253-S255 PolarHBondContact O-N 3.42Å |
| 256 | F | 66.8 | Low | 80.8 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -94.6 | 135.5 | -179.8 | -85.9 | -107 | 0 | 0 | 0 | 112.4 | I252 F253 L346 | I252-F256 HydrophobicContact CG2-CD2 4.03Å; I252-F256 HydrophobicContact CG2-CE2 3.6Å; I252-F256 WeakPolarHBondContact O-CD2 3.49Å; F253-F256 PolarHBondContact O-N 3.16Å; F253-F256 VanDerWaalsContact O-N 3.07Å; F256-L346 HydrophobicContact CE1-CD2 4.19Å; F256-L346 HydrophobicContact CE2-CD2 4.02Å; F256-L346 HydrophobicContact CZ-CD2 3.5Å; F256-L346 VanDerWaalsContact CZ-CD2 3.5Å |
| 257 | P | 65.1 | Low | 80.3 | Confident | 114 Ų | 114 | 72 Ų | 72 | 74% | 0.74 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 134.4 | 161.4 | 29.5 | -32 | 0 | 0 | 0 | 108.8 | G259 | P257-G259 PolarHBondContact O-N 3.43Š|
| 258 | R | 63.4 | Low | 80 | Confident | 215 Ų | 215 | 68.8 Ų | 68.8 | 81% | 0.811 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 135.7 | 174.1 | -71.1 | -179.7 | 176.8 | -104.7 | 3 | 109.5 | ||
| 259 | G | 62.7 | Low | 79.6 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P257 | P257-G259 PolarHBondContact O-N 3.43Š|
| 260 | D | 66.6 | Low | 79.2 | Confident | 110 Ų | 110 | 83.4 Ų | 83.4 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 140 | 178 | 175.3 | 40.5 | 0 | 0 | 0 | 111.1 | G262 E263 | D260-G262 PolarHBondContact O-N 3.41Å; D260-G262 PolarHBondContact OD1-N 3.11Å; D260-G262 WeakPolarHBondContact OD2-CA 3.31Å; D260-G262 PolarHBondContact OD2-N 3.38Å; D260-E263 VanDerWaalsContact O-CB 3.3Å; D260-E263 WeakPolarHBondContact O-CB 3.46Å; D260-E263 PolarHBondContact O-N 2.79Å |
| 261 | A | 65.4 | Low | 78.8 | Confident | 75 Ų | 75 | 84 Ų | 84 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.8 | -29.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 262 | G | 71.8 | Confident | 78.7 | Confident | 36 Ų | 36 | 86 Ų | 86 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D260 V264 T265 S266 | D260-G262 PolarHBondContact O-N 3.41Å; D260-G262 PolarHBondContact OD1-N 3.11Å; D260-G262 WeakPolarHBondContact OD2-CA 3.31Å; D260-G262 PolarHBondContact OD2-N 3.38Å; G262-V264 VanDerWaalsContact C-N 3.34Å; G262-V264 PolarHBondContact O-N 3.18Å; G262-T265 PolarHBondContact O-N 3.34Å; G262-T265 PolarHBondContact O-OG1 3.07Å; G262-S266 PolarHBondContact O-N 3.4Å |
| 263 | E | 80.8 | Confident | 78.6 | Confident | 74 Ų | 74 | 94.8 Ų | 94.8 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | -178.4 | -168 | -176.9 | 168.9 | 0 | 0 | 111.4 | D260 T265 S266 L267 | D260-E263 VanDerWaalsContact O-CB 3.3Å; D260-E263 WeakPolarHBondContact O-CB 3.46Å; D260-E263 PolarHBondContact O-N 2.79Å; E263-T265 PolarHBondContact O-N 2.76Å; E263-S266 WeakPolarHBondContact O-CA 3.18Å; E263-S266 WeakPolarHBondContact O-CB 3.41Å; E263-S266 PolarHBondContact O-N 2.96Å; E263-S266 PolarHBondContact O-OG 2.89Å; E263-L267 HydrophobicContact CG-CD1 3.96Å; E263-L267 HydrophobicContact CG-CG 4.24Å; E263-L267 WeakPolarHBondContact O-CG 3.46Å; E263-L267 PolarHBondContact O-N 3.31Å |
| 264 | V | 82.7 | Confident | 78.6 | Confident | 23 Ų | 23 | 94.9 Ų | 94.9 | 14% | 0.139 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -55.4 | -49.7 | -179.2 | -162.5 | 0 | 0 | 0 | 0 | 111.5 | G262 S266 L267 L268 F282 T335 L338 | G262-V264 VanDerWaalsContact C-N 3.34Å; G262-V264 PolarHBondContact O-N 3.18Å; V264-S266 PolarHBondContact O-N 3.27Å; V264-L267 PolarHBondContact O-N 2.9Å; V264-L268 HydrophobicContact CG1-CD1 4.15Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.1Å; V264-F282 HydrophobicContact CG1-CD1 3.61Å; V264-F282 HydrophobicContact CG1-CE1 3.49Å; V264-F282 VanDerWaalsContact CG1-CE1 3.49Å; V264-F282 HydrophobicContact CG1-CG 4.38Å; V264-F282 HydrophobicContact CG1-CZ 4.21Å; V264-T335 HydrophobicContact CB-CG2 4.25Å; V264-T335 HydrophobicContact CG1-CG2 4.08Å; V264-T335 HydrophobicContact CG2-CG2 3.36Å; V264-L338 HydrophobicContact CG1-CD1 4.33Å |
| 265 | T | 82.4 | Confident | 78.7 | Confident | 71 Ų | 71 | 87.6 Ų | 87.6 | 44% | 0.436 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -31.4 | -179.6 | 76.8 | 0 | 0 | 0 | 0 | 111.6 | G262 E263 K269 | G262-T265 PolarHBondContact O-N 3.34Å; G262-T265 PolarHBondContact O-OG1 3.07Å; E263-T265 PolarHBondContact O-N 2.76Å; T265-K269 WeakPolarHBondContact O-CB 3.44Å; T265-K269 VanDerWaalsContact O-CD 3.29Å; T265-K269 WeakPolarHBondContact O-CD 3.42Å; T265-K269 WeakPolarHBondContact O-CG 3.03Å; T265-K269 PolarHBondContact O-N 3.38Å; T265-K269 VanDerWaalsContact O-N 3.13Å |
| 266 | S | 85.5 | Confident | 79.2 | Confident | 63 Ų | 63 | 92.9 Ų | 92.9 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.6 | -43.1 | 176.3 | 82.9 | 0 | 0 | 0 | 0 | 112.1 | G262 E263 V264 K269 L270 | G262-S266 PolarHBondContact O-N 3.4Å; E263-S266 WeakPolarHBondContact O-CA 3.18Å; E263-S266 WeakPolarHBondContact O-CB 3.41Å; E263-S266 PolarHBondContact O-N 2.96Å; E263-S266 PolarHBondContact O-OG 2.89Å; V264-S266 PolarHBondContact O-N 3.27Å; S266-K269 PolarHBondContact O-N 2.75Å; S266-L270 WeakPolarHBondContact O-CB 3.38Å; S266-L270 PolarHBondContact O-N 3.19Å |
| 267 | L | 84.3 | Confident | 80.3 | Confident | 33 Ų | 33 | 90.8 Ų | 90.8 | 17% | 0.173 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 178.7 | -73 | 171.7 | 0 | 0 | 0 | 111.6 | E263 V264 L270 N271 L338 R339 | E263-L267 HydrophobicContact CG-CD1 3.96Å; E263-L267 HydrophobicContact CG-CG 4.24Å; E263-L267 WeakPolarHBondContact O-CG 3.46Å; E263-L267 PolarHBondContact O-N 3.31Å; V264-L267 PolarHBondContact O-N 2.9Å; L267-L270 PolarHBondContact O-N 2.93Å; L267-N271 WeakPolarHBondContact O-CB 3.36Å; L267-N271 PolarHBondContact O-N 3.13Å; L267-L338 HydrophobicContact CB-CB 4.35Å; L267-L338 HydrophobicContact CB-CD1 3.68Å; L267-L338 HydrophobicContact CD1-CB 4.26Å; L267-L338 HydrophobicContact CD1-CD1 4.29Å; L267-R339 HydrophobicContact CD1-CG 4.11Å |
| 268 | L | 86.5 | Confident | 81.6 | Confident | 34 Ų | 34 | 85.5 Ų | 85.5 | 18% | 0.178 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.6 | -69.7 | 170.5 | 0 | 0 | 0 | 112 | V264 L270 N271 A275 F282 L338 | V264-L268 HydrophobicContact CG1-CD1 4.15Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.1Å; L268-L270 PolarHBondContact O-N 3.38Å; L268-N271 CarbonylContact O-C 3.51Å; L268-N271 PolarHBondContact O-N 3.07Å; L268-A275 HydrophobicContact CB-CB 4.04Å; L268-A275 HydrophobicContact CD2-CB 3.7Å; L268-A275 HydrophobicContact CG-CB 4.49Å; L268-A275 WeakPolarHBondContact O-CB 3.47Å; L268-F282 HydrophobicContact CD1-CD2 4.26Å; L268-F282 HydrophobicContact CD1-CG 4.46Å; L268-F282 HydrophobicContact CD2-CD2 4.34Å; L268-F282 HydrophobicContact CD2-CE2 4.2Å; L268-L338 HydrophobicContact CD2-CD1 3.88Å; L268-L338 HydrophobicContact CD2-CD2 3.79Å; L268-L338 HydrophobicContact CD2-CG 4.5Å; L268-L338 HydrophobicContact CG-CD1 3.85Å |
| 269 | K | 86.1 | Confident | 82.9 | Confident | 167 Ų | 167 | 75.8 Ų | 75.8 | 73% | 0.726 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 175.3 | -76.6 | 165.2 | -172.8 | 164.2 | 0 | 112.1 | T265 S266 | T265-K269 WeakPolarHBondContact O-CB 3.44Å; T265-K269 VanDerWaalsContact O-CD 3.29Å; T265-K269 WeakPolarHBondContact O-CD 3.42Å; T265-K269 WeakPolarHBondContact O-CG 3.03Å; T265-K269 PolarHBondContact O-N 3.38Å; T265-K269 VanDerWaalsContact O-N 3.13Å; S266-K269 PolarHBondContact O-N 2.75Å |
| 270 | L | 86.5 | Confident | 84.3 | Confident | 140 Ų | 140 | 77.4 Ų | 77.4 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.7 | -43.6 | 178.8 | -174.4 | 63.8 | 0 | 0 | 0 | 111.9 | S266 L267 L268 K272 | S266-L270 WeakPolarHBondContact O-CB 3.38Å; S266-L270 PolarHBondContact O-N 3.19Å; L267-L270 PolarHBondContact O-N 2.93Å; L268-L270 PolarHBondContact O-N 3.38Å; L270-K272 PolarHBondContact O-N 2.9Å |
| 271 | N | 85.4 | Confident | 85.5 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | trans | -102.3 | 63.2 | -176.2 | -73.8 | -79.4 | 0 | 0 | 0 | 112.6 | L267 L268 K273 L274 A275 | L267-N271 WeakPolarHBondContact O-CB 3.36Å; L267-N271 PolarHBondContact O-N 3.13Å; L268-N271 CarbonylContact O-C 3.51Å; L268-N271 PolarHBondContact O-N 3.07Å; N271-K273 PolarHBondContact O-N 3.29Å; N271-L274 HydrophobicContact CB-CB 3.94Å; N271-L274 WeakPolarHBondContact O-CA 3.49Å; N271-L274 PolarHBondContact O-N 2.9Å; N271-A275 PolarHBondContact O-N 3.12Å | ||
| 272 | K | 88.6 | Confident | 86.7 | Confident | 147 Ų | 147 | 71 Ų | 71 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.3 | -27.1 | -177.2 | -167 | 166.8 | -174.1 | 167.8 | 0 | 115.2 | L270 R276 | L270-K272 PolarHBondContact O-N 2.9Å; K272-R276 WeakPolarHBondContact O-CG 3.31Å; K272-R276 PolarHBondContact O-N 3.47Å |
| 273 | K | 89.1 | Confident | 87.4 | Confident | 191 Ų | 191 | 77.5 Ų | 77.5 | 83% | 0.83 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.7 | -43.8 | 171.9 | -179.9 | 176.9 | 176.9 | -179.7 | 0 | 112.2 | N271 R276 | N271-K273 PolarHBondContact O-N 3.29Å; K273-R276 PolarHBondContact O-N 2.95Å |
| 274 | L | 85.8 | Confident | 87.8 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74 | -39.4 | -178.8 | -167.8 | 57.7 | 0 | 0 | 0 | 110.8 | N271 R276 S277 V278 L338 | N271-L274 HydrophobicContact CB-CB 3.94Å; N271-L274 WeakPolarHBondContact O-CA 3.49Å; N271-L274 PolarHBondContact O-N 2.9Å; L274-R276 PolarHBondContact O-N 3.35Å; L274-S277 WeakPolarHBondContact CA-OG 3.06Å; L274-S277 PolarHBondContact O-N 3.33Å; L274-S277 PolarHBondContact O-OG 3.46Å; L274-V278 HydrophobicContact CD1-CG2 4.2Å; L274-V278 HydrophobicContact CG-CG2 4.03Å; L274-V278 WeakPolarHBondContact O-CG2 3.47Å; L274-V278 PolarHBondContact O-N 3.38Å; L274-L338 HydrophobicContact CD2-CB 4.42Å; L274-L338 HydrophobicContact CD2-CD2 3.76Å; L274-L338 HydrophobicContact CG-CD2 3.85Å |
| 275 | A | 87.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.9 | -32.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L268 N271 S277 G279 | L268-A275 HydrophobicContact CB-CB 4.04Å; L268-A275 HydrophobicContact CD2-CB 3.7Å; L268-A275 HydrophobicContact CG-CB 4.49Å; L268-A275 WeakPolarHBondContact O-CB 3.47Å; N271-A275 PolarHBondContact O-N 3.12Å; A275-S277 VanDerWaalsContact C-N 3.33Å; A275-G279 WeakPolarHBondContact O-CA 3.36Å; A275-G279 PolarHBondContact O-N 3.08Å |
| 276 | R | 90.1 | Very high | 88.1 | Confident | 202 Ų | 202 | 84 Ų | 84 | 76% | 0.762 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -72.7 | -20.6 | 172.7 | -77.4 | 176.6 | 174.9 | -160.6 | -3.6 | 114.6 | K272 K273 L274 | K272-R276 WeakPolarHBondContact O-CG 3.31Å; K272-R276 PolarHBondContact O-N 3.47Å; K273-R276 PolarHBondContact O-N 2.95Å; L274-R276 PolarHBondContact O-N 3.35Å |
| 277 | S | 89.2 | Confident | 88 | Confident | 38 Ų | 38 | 88.8 Ų | 88.8 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -101.9 | -25.9 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | L274 A275 H280 Y298 | L274-S277 WeakPolarHBondContact CA-OG 3.06Å; L274-S277 PolarHBondContact O-N 3.33Å; L274-S277 PolarHBondContact O-OG 3.46Å; A275-S277 VanDerWaalsContact C-N 3.33Å; S277-H280 PolarHBondContact O-CE1 3.31Å; S277-H280 VanDerWaalsContact O-CE1 3.31Å; S277-Y298 WeakPolarHBondContact O-CE1 3.43Å; S277-Y298 WeakPolarHBondContact O-CE2 3.36Å; S277-Y298 PolarHBondContact O-OH 3.39Å; S277-Y298 VanDerWaalsContact O-OH 3.12Å |
| 278 | V | 92.2 | Very high | 88.3 | Confident | 3 Ų | 3 | 90.3 Ų | 90.3 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -128.7 | 3.4 | -179.6 | -60 | 0 | 0 | 0 | 0 | 113.5 | L274 H280 I281 F282 Y298 L338 | L274-V278 HydrophobicContact CD1-CG2 4.2Å; L274-V278 HydrophobicContact CG-CG2 4.03Å; L274-V278 WeakPolarHBondContact O-CG2 3.47Å; L274-V278 PolarHBondContact O-N 3.38Å; V278-H280 PolarHBondContact O-N 2.84Å; V278-I281 HydrophobicContact CB-CD1 3.92Å; V278-I281 HydrophobicContact CG1-CD1 4.08Å; V278-I281 WeakPolarHBondContact O-CB 3.45Å; V278-I281 PolarHBondContact O-N 2.88Å; V278-F282 HydrophobicContact CG2-CE2 4.2Å; V278-F282 VanDerWaalsContact O-CD2 3.24Å; V278-F282 WeakPolarHBondContact O-CD2 3.16Å; V278-F282 WeakPolarHBondContact O-CE2 3.4Å; V278-Y298 HydrophobicContact CG1-CD1 3.76Å; V278-Y298 HydrophobicContact CG1-CD2 3.87Å; V278-Y298 HydrophobicContact CG1-CE1 4.3Å; V278-Y298 HydrophobicContact CG1-CE2 4.37Å; V278-Y298 HydrophobicContact CG1-CG 3.53Å; V278-L338 HydrophobicContact CG2-CD2 3.68Å |
| 279 | G | 90.7 | Very high | 88.5 | Confident | 11 Ų | 11 | 92.6 Ų | 92.6 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -41.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A275 I281 F282 | A275-G279 WeakPolarHBondContact O-CA 3.36Å; A275-G279 PolarHBondContact O-N 3.08Å; G279-I281 PolarHBondContact O-N 3.46Å; G279-F282 WeakPolarHBondContact O-CB 3.48Å; G279-F282 PolarHBondContact O-N 2.83Å |
| 280 | H | 92.2 | Very high | 88.7 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -58.5 | -31.8 | 178.1 | 61.6 | -70.4 | 0 | 0 | 0 | 112.7 | S277 V278 F282 E283 M284 E294 | S277-H280 PolarHBondContact O-CE1 3.31Å; S277-H280 VanDerWaalsContact O-CE1 3.31Å; V278-H280 PolarHBondContact O-N 2.84Å; H280-F282 PolarHBondContact O-N 3.24Å; H280-E283 WeakPolarHBondContact O-CA 3.48Å; H280-E283 WeakPolarHBondContact O-CB 3.33Å; H280-E283 PolarHBondContact O-N 3.38Å; H280-M284 WeakPolarHBondContact O-CG 3.41Å; H280-M284 PolarHBondContact O-N 2.89Å; H280-E294 IonicContact CD2-OE2 2.96Å; H280-E294 IonicContact CE1-OE2 3.19Å; H280-E294 PolarHBondContact CE1-OE2 3.15Å; H280-E294 IonicContact NE2-OE2 2.67Å; H280-E294 PolarHBondContact NE2-OE2 2.94Å |
| 281 | I | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -61.5 | -30.4 | 177.5 | -51.5 | 177.3 | 0 | 0 | 0 | 111.4 | V278 G279 E283 K291 E294 I295 Y298 L337 | V278-I281 HydrophobicContact CB-CD1 3.92Å; V278-I281 HydrophobicContact CG1-CD1 4.08Å; V278-I281 WeakPolarHBondContact O-CB 3.45Å; V278-I281 PolarHBondContact O-N 2.88Å; G279-I281 PolarHBondContact O-N 3.46Å; I281-E283 VanDerWaalsContact C-N 3.31Å; I281-K291 HydrophobicContact CG2-CG 4.05Å; I281-K291 WeakPolarHBondContact O-CE 3.32Å; I281-K291 PolarHBondContact O-NZ 3.29Å; I281-E294 HydrophobicContact CD1-CB 3.95Å; I281-E294 HydrophobicContact CG1-CB 4.03Å; I281-I295 HydrophobicContact CG2-CD1 4.16Å; I281-I295 HydrophobicContact CG2-CG1 3.59Å; I281-Y298 HydrophobicContact CD1-CD2 3.54Å; I281-Y298 HydrophobicContact CD1-CE2 4.04Å; I281-Y298 HydrophobicContact CD1-CG 4.44Å; I281-L337 HydrophobicContact CD1-CD1 4Å; I281-L337 HydrophobicContact CG2-CD1 4.36Å |
| 282 | F | 89.6 | Confident | 89.3 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -80.2 | -13.3 | 175.4 | -62.8 | -89.1 | 0 | 0 | 0 | 113.2 | V264 L268 V278 G279 H280 N334 T335 L338 | V264-F282 HydrophobicContact CG1-CD1 3.61Å; V264-F282 HydrophobicContact CG1-CE1 3.49Å; V264-F282 VanDerWaalsContact CG1-CE1 3.49Å; V264-F282 HydrophobicContact CG1-CG 4.38Å; V264-F282 HydrophobicContact CG1-CZ 4.21Å; L268-F282 HydrophobicContact CD1-CD2 4.26Å; L268-F282 HydrophobicContact CD1-CG 4.46Å; L268-F282 HydrophobicContact CD2-CD2 4.34Å; L268-F282 HydrophobicContact CD2-CE2 4.2Å; V278-F282 HydrophobicContact CG2-CE2 4.2Å; V278-F282 VanDerWaalsContact O-CD2 3.24Å; V278-F282 WeakPolarHBondContact O-CD2 3.16Å; V278-F282 WeakPolarHBondContact O-CE2 3.4Å; G279-F282 WeakPolarHBondContact O-CB 3.48Å; G279-F282 PolarHBondContact O-N 2.83Å; H280-F282 PolarHBondContact O-N 3.24Å; F282-N334 HydrophobicContact CD1-CB 3.96Å; F282-N334 HydrophobicContact CE1-CB 3.53Å; F282-N334 HydrophobicContact CZ-CB 4.14Å; F282-N334 VanDerWaalsContact CZ-O 3.24Å; F282-N334 WeakPolarHBondContact CZ-O 3.46Å; F282-T335 HydrophobicContact CE1-CG2 4.32Å; F282-L338 HydrophobicContact CE2-CD1 4.3Å; F282-L338 HydrophobicContact CE2-CD2 4.28Å; F282-L338 HydrophobicContact CE2-CG 4.31Å; F282-L338 HydrophobicContact CZ-CD1 3.9Å; F282-L338 HydrophobicContact CZ-CD2 4.42Å; F282-L338 HydrophobicContact CZ-CG 3.97Å |
| 283 | E | 87.4 | Confident | 89.5 | Confident | 172 Ų | 172 | 81.7 Ų | 81.7 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -19.4 | 178.3 | -62.3 | 174.3 | 177.8 | 0 | 0 | 112.1 | H280 I281 | H280-E283 WeakPolarHBondContact O-CA 3.48Å; H280-E283 WeakPolarHBondContact O-CB 3.33Å; H280-E283 PolarHBondContact O-N 3.38Å; I281-E283 VanDerWaalsContact C-N 3.31Å |
| 284 | M | 89.3 | Confident | 89.8 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 22% | 0.222 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -75.2 | 149.9 | 175.9 | -67.3 | 168.9 | 80.9 | 0 | 0 | 112.7 | H280 D288 Q290 K291 | H280-M284 WeakPolarHBondContact O-CG 3.41Å; H280-M284 PolarHBondContact O-N 2.89Å; M284-D288 WeakPolarHBondContact CE-OD2 3.22Å; M284-Q290 HydrophobicContact CE-CB 3.62Å; M284-K291 HydrophobicContact CB-CB 4.13Å; M284-K291 HydrophobicContact CB-CD 3.98Å; M284-K291 HydrophobicContact CB-CG 4.1Å; M284-K291 HydrophobicContact CE-CB 4.03Å; M284-K291 PolarHBondContact O-NZ 2.68Å; M284-K291 HydrophobicContact SD-CB 4.42Å |
| 285 | D | 88.6 | Confident | 90.2 | Very high | 128 Ų | 128 | 72.7 Ų | 72.7 | 68% | 0.684 | 37% | 0.367 | S | S | * | . | trans | -65.4 | 142.8 | 176.9 | -75.9 | -65.7 | 0 | 0 | 0 | 113.3 | N287 D288 K291 | D285-N287 PolarHBondContact O-N 3.2Å; D285-N287 VanDerWaalsContact O-N 3.14Å; D285-D288 PolarHBondContact O-N 3.02Å; D285-K291 WeakPolarHBondContact O-CD 3.26Å | ||
| 286 | D | 83.1 | Confident | 90.5 | Very high | 131 Ų | 131 | 76.1 Ų | 76.1 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.6 | -179.1 | -70.9 | -33.8 | 0 | 0 | 0 | 114.5 | K291 | D286-K291 IonicContact OD1-NZ 3.48Å; D286-K291 PolarHBondContact OD1-NZ 2.76Å |
| 287 | N | 83.9 | Confident | 90.5 | Very high | 164 Ų | 164 | 70.8 Ų | 70.8 | 88% | 0.877 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 3 | 178 | -63.8 | -55.3 | 0 | 0 | 0 | 113.7 | D285 | D285-N287 PolarHBondContact O-N 3.2Å; D285-N287 VanDerWaalsContact O-N 3.14Å |
| 288 | D | 89.7 | Confident | 90.7 | Very high | 65 Ų | 65 | 71.5 Ų | 71.5 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | trans | -82.8 | 122.1 | -179.2 | -176.1 | 0.2 | 0 | 0 | 0 | 111.5 | M284 D285 Q290 K291 E292 | M284-D288 WeakPolarHBondContact CE-OD2 3.22Å; D285-D288 PolarHBondContact O-N 3.02Å; D288-Q290 PolarHBondContact O-N 2.9Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.24Å; D288-Q290 PolarHBondContact OD1-N 2.65Å; D288-K291 HydrophobicContact CB-CB 4.24Å; D288-K291 VanDerWaalsContact O-CB 3.24Å; D288-K291 WeakPolarHBondContact O-CB 3.49Å; D288-K291 PolarHBondContact O-N 3.28Å; D288-E292 PolarHBondContact O-N 2.77Å | ||
| 289 | S | 90.4 | Very high | 90.9 | Very high | 82 Ų | 82 | 71.5 Ų | 71.5 | 57% | 0.573 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.7 | -32.3 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | K291 E292 E293 | S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 3.46Å; S289-E292 PolarHBondContact O-N 2.96Å; S289-E293 PolarHBondContact O-N 2.84Å; S289-E293 VanDerWaalsContact O-N 3.09Å |
| 290 | Q | 91.3 | Very high | 91 | Very high | 100 Ų | 100 | 73.4 Ų | 73.4 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -29.5 | 176.1 | -65 | -66.6 | -82.5 | 0 | 0 | 112.2 | M284 D288 E293 E294 | M284-Q290 HydrophobicContact CE-CB 3.62Å; D288-Q290 PolarHBondContact O-N 2.9Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.24Å; D288-Q290 PolarHBondContact OD1-N 2.65Å; Q290-E293 PolarHBondContact NE2-OE1 3.39Å; Q290-E293 PolarHBondContact NE2-OE2 2.8Å; Q290-E293 PolarHBondContact O-N 2.96Å; Q290-E294 PolarHBondContact O-N 3.46Å |
| 291 | K | 92.9 | Very high | 91 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 174.5 | -172.4 | 178.4 | -179.7 | 161.5 | 0 | 110.6 | I281 M284 D285 D286 D288 S289 E294 I295 | I281-K291 HydrophobicContact CG2-CG 4.05Å; I281-K291 WeakPolarHBondContact O-CE 3.32Å; I281-K291 PolarHBondContact O-NZ 3.29Å; M284-K291 HydrophobicContact CB-CB 4.13Å; M284-K291 HydrophobicContact CB-CD 3.98Å; M284-K291 HydrophobicContact CB-CG 4.1Å; M284-K291 HydrophobicContact CE-CB 4.03Å; M284-K291 PolarHBondContact O-NZ 2.68Å; M284-K291 HydrophobicContact SD-CB 4.42Å; D285-K291 WeakPolarHBondContact O-CD 3.26Å; D286-K291 IonicContact OD1-NZ 3.48Å; D286-K291 PolarHBondContact OD1-NZ 2.76Å; D288-K291 HydrophobicContact CB-CB 4.24Å; D288-K291 VanDerWaalsContact O-CB 3.24Å; D288-K291 WeakPolarHBondContact O-CB 3.49Å; D288-K291 PolarHBondContact O-N 3.28Å; S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 3.46Å; K291-E294 PolarHBondContact O-N 2.93Å; K291-I295 HydrophobicContact CG-CD1 3.91Å; K291-I295 WeakPolarHBondContact O-CB 3.42Å; K291-I295 WeakPolarHBondContact O-CD1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.47Å; K291-I295 PolarHBondContact O-N 2.79Å |
| 292 | E | 92 | Very high | 91 | Very high | 79 Ų | 79 | 74.6 Ų | 74.6 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.5 | 179.9 | 173.6 | 164.7 | 0 | 0 | 111.7 | D288 S289 I295 R296 M331 | D288-E292 PolarHBondContact O-N 2.77Å; S289-E292 PolarHBondContact O-N 2.96Å; E292-I295 PolarHBondContact O-N 3.23Å; E292-R296 HydrophobicContact CG-CG 4.34Å; E292-R296 WeakPolarHBondContact O-CB 3.08Å; E292-R296 WeakPolarHBondContact O-CG 3.24Å; E292-R296 PolarHBondContact O-N 3.3Å; E292-R296 IonicContact OE1-CZ 3.73Å; E292-R296 IonicContact OE1-NE 2.62Å; E292-R296 PolarHBondContact OE1-NE 3.32Å; E292-R296 IonicContact OE1-NH2 3.84Å; E292-R296 PolarHBondContact OE1-NH2 3.02Å; E292-M331 HydrophobicContact CG-SD 3.62Å |
| 293 | E | 92.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 74.5 Ų | 74.5 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 178 | -73.1 | 173.5 | -159.7 | 0 | 0 | 112.3 | S289 Q290 R296 K297 | S289-E293 PolarHBondContact O-N 2.84Å; S289-E293 VanDerWaalsContact O-N 3.09Å; Q290-E293 PolarHBondContact NE2-OE1 3.39Å; Q290-E293 PolarHBondContact NE2-OE2 2.8Å; Q290-E293 PolarHBondContact O-N 2.96Å; E293-R296 PolarHBondContact O-N 2.74Å; E293-K297 VanDerWaalsContact O-CB 3.32Å; E293-K297 WeakPolarHBondContact O-CB 3.48Å; E293-K297 PolarHBondContact O-N 2.78Å |
| 294 | E | 94 | Very high | 90.3 | Very high | 37 Ų | 37 | 68.2 Ų | 68.2 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 175.9 | -72 | -74.7 | 100.5 | 0 | 0 | 111.6 | H280 I281 Q290 K291 R296 K297 Y298 | H280-E294 IonicContact CD2-OE2 2.96Å; H280-E294 IonicContact CE1-OE2 3.19Å; H280-E294 PolarHBondContact CE1-OE2 3.15Å; H280-E294 IonicContact NE2-OE2 2.67Å; H280-E294 PolarHBondContact NE2-OE2 2.94Å; I281-E294 HydrophobicContact CD1-CB 3.95Å; I281-E294 HydrophobicContact CG1-CB 4.03Å; Q290-E294 PolarHBondContact O-N 3.46Å; K291-E294 PolarHBondContact O-N 2.93Å; E294-R296 PolarHBondContact O-N 3.11Å; E294-K297 WeakPolarHBondContact O-CB 3.43Å; E294-K297 PolarHBondContact O-N 3.1Å; E294-K297 WeakPolarHBondContact OE1-CD 3.42Å; E294-K297 WeakPolarHBondContact OE1-CE 3.3Å; E294-K297 IonicContact OE1-NZ 2.82Å; E294-K297 PolarHBondContact OE1-NZ 3.4Å; E294-K297 IonicContact OE2-NZ 3.75Å; E294-Y298 WeakPolarHBondContact O-CD2 3.4Å; E294-Y298 PolarHBondContact O-N 3.37Å; E294-Y298 WeakPolarHBondContact OE2-CE2 3.22Å |
| 295 | I | 94.1 | Very high | 89 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 173.3 | -71.9 | 164.7 | 0 | 0 | 0 | 110.8 | I281 K291 E292 K297 Y298 S299 C330 M331 N334 L337 | I281-I295 HydrophobicContact CG2-CD1 4.16Å; I281-I295 HydrophobicContact CG2-CG1 3.59Å; K291-I295 HydrophobicContact CG-CD1 3.91Å; K291-I295 WeakPolarHBondContact O-CB 3.42Å; K291-I295 WeakPolarHBondContact O-CD1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.47Å; K291-I295 PolarHBondContact O-N 2.79Å; E292-I295 PolarHBondContact O-N 3.23Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.41Å; I295-Y298 PolarHBondContact O-N 2.83Å; I295-S299 WeakPolarHBondContact O-CB 3.39Å; I295-S299 PolarHBondContact O-N 3.01Å; I295-S299 PolarHBondContact O-OG 3.07Å; I295-C330 HydrophobicContact CG2-CB 3.47Å; I295-C330 VanDerWaalsContact CG2-CB 3.47Å; I295-M331 HydrophobicContact CG2-CG 3.88Å; I295-N334 WeakPolarHBondContact CD1-OD1 3.24Å; I295-L337 HydrophobicContact CG1-CD1 4.45Å |
| 296 | R | 94 | Very high | 87.7 | Confident | 98 Ų | 98 | 71.5 Ų | 71.5 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | 176.9 | -76.2 | 176.4 | 178.5 | -89.4 | -0.1 | 110.9 | E292 E293 E294 S299 I300 E324 A327 | E292-R296 HydrophobicContact CG-CG 4.34Å; E292-R296 WeakPolarHBondContact O-CB 3.08Å; E292-R296 WeakPolarHBondContact O-CG 3.24Å; E292-R296 PolarHBondContact O-N 3.3Å; E292-R296 IonicContact OE1-CZ 3.73Å; E292-R296 IonicContact OE1-NE 2.62Å; E292-R296 PolarHBondContact OE1-NE 3.32Å; E292-R296 IonicContact OE1-NH2 3.84Å; E292-R296 PolarHBondContact OE1-NH2 3.02Å; E293-R296 PolarHBondContact O-N 2.74Å; E294-R296 PolarHBondContact O-N 3.11Å; R296-S299 PolarHBondContact O-OG 3.07Å; R296-S299 VanDerWaalsContact O-OG 3.12Å; R296-I300 WeakPolarHBondContact O-CG1 3.46Å; R296-E324 IonicContact NH1-OE2 2.69Å; R296-A327 HydrophobicContact CG-CB 4.16Å |
| 297 | K | 92.1 | Very high | 86.6 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 179.3 | 176.7 | -173.2 | 179.5 | 179.8 | 0 | 113.9 | E293 E294 I295 F305 | E293-K297 VanDerWaalsContact O-CB 3.32Å; E293-K297 WeakPolarHBondContact O-CB 3.48Å; E293-K297 PolarHBondContact O-N 2.78Å; E294-K297 WeakPolarHBondContact O-CB 3.43Å; E294-K297 PolarHBondContact O-N 3.1Å; E294-K297 WeakPolarHBondContact OE1-CD 3.42Å; E294-K297 WeakPolarHBondContact OE1-CE 3.3Å; E294-K297 IonicContact OE1-NZ 2.82Å; E294-K297 PolarHBondContact OE1-NZ 3.4Å; E294-K297 IonicContact OE2-NZ 3.75Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.41Å; K297-F305 HydrophobicContact CG-CE1 4.46Å |
| 298 | Y | 93.1 | Very high | 85.3 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 21% | 0.208 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -85.9 | -27 | -178.9 | -71.1 | -72.9 | 0 | 0 | 0 | 114.5 | S277 V278 I281 E294 I295 I300 R304 | S277-Y298 WeakPolarHBondContact O-CE1 3.43Å; S277-Y298 WeakPolarHBondContact O-CE2 3.36Å; S277-Y298 PolarHBondContact O-OH 3.39Å; S277-Y298 VanDerWaalsContact O-OH 3.12Å; V278-Y298 HydrophobicContact CG1-CD1 3.76Å; V278-Y298 HydrophobicContact CG1-CD2 3.87Å; V278-Y298 HydrophobicContact CG1-CE1 4.3Å; V278-Y298 HydrophobicContact CG1-CE2 4.37Å; V278-Y298 HydrophobicContact CG1-CG 3.53Å; I281-Y298 HydrophobicContact CD1-CD2 3.54Å; I281-Y298 HydrophobicContact CD1-CE2 4.04Å; I281-Y298 HydrophobicContact CD1-CG 4.44Å; E294-Y298 WeakPolarHBondContact O-CD2 3.4Å; E294-Y298 PolarHBondContact O-N 3.37Å; E294-Y298 WeakPolarHBondContact OE2-CE2 3.22Å; I295-Y298 PolarHBondContact O-N 2.83Å; Y298-I300 VanDerWaalsContact C-N 3.3Å; Y298-I300 PolarHBondContact O-N 3.39Å; Y298-R304 PolarHBondContact O-NH2 3.29Å |
| 299 | S | 95 | Very high | 84.1 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.9 | -17.5 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | I295 R296 I301 A326 A327 | I295-S299 WeakPolarHBondContact O-CB 3.39Å; I295-S299 PolarHBondContact O-N 3.01Å; I295-S299 PolarHBondContact O-OG 3.07Å; R296-S299 PolarHBondContact O-OG 3.07Å; R296-S299 VanDerWaalsContact O-OG 3.12Å; S299-I301 WeakPolarHBondContact O-CG1 3.44Å; S299-I301 PolarHBondContact O-N 2.93Å; S299-A326 WeakPolarHBondContact O-CB 3.26Å; S299-A327 WeakPolarHBondContact OG-CA 3.25Å |
| 300 | I | 93 | Very high | 82.6 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | trans | -47.2 | 129.2 | 176.2 | -55.3 | -176.4 | 0 | 0 | 0 | 111 | R296 Y298 Y302 R304 | R296-I300 WeakPolarHBondContact O-CG1 3.46Å; Y298-I300 VanDerWaalsContact C-N 3.3Å; Y298-I300 PolarHBondContact O-N 3.39Å; I300-Y302 WeakPolarHBondContact CG2-O 3.44Å; I300-R304 HydrophobicContact CB-CG 4.35Å; I300-R304 HydrophobicContact CG2-CG 3.91Å; I300-R304 WeakPolarHBondContact O-CG 3.36Å; I300-R304 PolarHBondContact O-NE 2.96Å | ||
| 301 | I | 92.9 | Very high | 81.1 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.179 | 38% | 0.377 | C | S | . | . | trans | -105.2 | -48.6 | 179.3 | -59.2 | -165.6 | 0 | 0 | 0 | 110.4 | S299 I322 N323 A326 L343 F344 | S299-I301 WeakPolarHBondContact O-CG1 3.44Å; S299-I301 PolarHBondContact O-N 2.93Å; I301-I322 HydrophobicContact CB-CG2 4.12Å; I301-I322 HydrophobicContact CD1-CG2 3.84Å; I301-I322 HydrophobicContact CG1-CG2 4.37Å; I301-I322 HydrophobicContact CG2-CG2 4.19Å; I301-N323 PolarHBondContact N-OD1 2.85Å; I301-A326 HydrophobicContact CD1-CB 3.8Å; I301-A326 HydrophobicContact CG1-CB 3.96Å; I301-L343 HydrophobicContact CD1-CG 4.49Å; I301-F344 HydrophobicContact CD1-CB 4.32Å; I301-F344 HydrophobicContact CD1-CD2 4.05Å; I301-F344 HydrophobicContact CG2-CD2 3.64Å; I301-F344 HydrophobicContact CG2-CE2 3.95Å | ||
| 302 | Y | 91.3 | Very high | 79.8 | Confident | 58 Ų | 58 | 86.2 Ų | 86.2 | 23% | 0.227 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -107.8 | 145.1 | 178.9 | -67.6 | -81.6 | 0 | 0 | 0 | 111 | I300 R304 E319 I322 N323 F344 | I300-Y302 WeakPolarHBondContact CG2-O 3.44Å; Y302-R304 VanDerWaalsContact C-N 3.33Å; Y302-E319 HydrophobicContact CD1-CG 3.79Å; Y302-E319 HydrophobicContact CD2-CB 4.1Å; Y302-E319 HydrophobicContact CD2-CG 3.97Å; Y302-E319 HydrophobicContact CE1-CG 4.25Å; Y302-E319 HydrophobicContact CE2-CG 4.4Å; Y302-E319 HydrophobicContact CG-CB 3.93Å; Y302-E319 HydrophobicContact CG-CG 3.64Å; Y302-I322 HydrophobicContact CD2-CB 4.25Å; Y302-I322 HydrophobicContact CD2-CG2 3.95Å; Y302-I322 HydrophobicContact CE2-CB 4.17Å; Y302-I322 HydrophobicContact CE2-CD1 3.79Å; Y302-I322 HydrophobicContact CE2-CG2 3.81Å; Y302-N323 PolarHBondContact N-OD1 3.32Å; Y302-N323 PolarHBondContact O-ND2 2.96Å; Y302-F344 HydrophobicContact CE2-CE2 4.18Å |
| 303 | G | 84.4 | Confident | 79.2 | Confident | 50 Ų | 50 | 89.4 Ų | 89.4 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 74.5 | 18.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F305 | G303-F305 PolarHBondContact O-N 2.97Š|
| 304 | R | 77.8 | Confident | 78.7 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | trans | -57 | 131.6 | -179.9 | -59.5 | -175.3 | 119.9 | -108.2 | -17.9 | 112 | Y298 I300 Y302 D306 S307 R340 | Y298-R304 PolarHBondContact O-NH2 3.29Å; I300-R304 HydrophobicContact CB-CG 4.35Å; I300-R304 HydrophobicContact CG2-CG 3.91Å; I300-R304 WeakPolarHBondContact O-CG 3.36Å; I300-R304 PolarHBondContact O-NE 2.96Å; Y302-R304 VanDerWaalsContact C-N 3.33Å; R304-D306 WeakPolarHBondContact CB-OD1 3.44Å; R304-D306 IonicContact CZ-OD2 3.43Å; R304-D306 IonicContact NH1-OD2 2.72Å; R304-D306 PolarHBondContact NH1-OD2 2.85Å; R304-D306 PolarHBondContact O-N 3.35Å; R304-D306 VanDerWaalsContact O-N 3.11Å; R304-S307 PolarHBondContact O-N 3.21Å; R304-S307 VanDerWaalsContact O-N 3.16Å; R304-R340 VanDerWaalsContact NH2-NH2 3.14Å | ||
| 305 | F | 63.6 | Low | 78.4 | Confident | 150 Ų | 150 | 89.7 Ų | 89.7 | 66% | 0.658 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.6 | 178.9 | 71.7 | -92.3 | 0 | 0 | 0 | 114.5 | K297 G303 S307 | K297-F305 HydrophobicContact CG-CE1 4.46Å; G303-F305 PolarHBondContact O-N 2.97Å; F305-S307 PolarHBondContact O-N 3.13Å |
| 306 | D | 60.6 | Low | 78.3 | Confident | 93 Ų | 93 | 92 Ų | 92 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.1 | 176.1 | 60.4 | 4.3 | 0 | 0 | 0 | 113.3 | R304 | R304-D306 WeakPolarHBondContact CB-OD1 3.44Å; R304-D306 IonicContact CZ-OD2 3.43Å; R304-D306 IonicContact NH1-OD2 2.72Å; R304-D306 PolarHBondContact NH1-OD2 2.85Å; R304-D306 PolarHBondContact O-N 3.35Å; R304-D306 VanDerWaalsContact O-N 3.11Å |
| 307 | S | 59.4 | Low | 78.2 | Confident | 50 Ų | 50 | 92.5 Ų | 92.5 | 35% | 0.35 | 46% | 0.459 | S | S | . | . | trans | -101.4 | 91.2 | -177 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | R304 F305 R309 R310 | R304-S307 PolarHBondContact O-N 3.21Å; R304-S307 VanDerWaalsContact O-N 3.16Å; F305-S307 PolarHBondContact O-N 3.13Å; S307-R309 PolarHBondContact O-N 3.26Å; S307-R310 PolarHBondContact O-N 3.41Å | ||
| 308 | K | 58 | Low | 78.3 | Confident | 185 Ų | 185 | 91.5 Ų | 91.5 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 33.6 | 175.4 | -57.7 | -165.9 | 175.9 | -162.5 | 0 | 116 | E311 | K308-E311 WeakPolarHBondContact CA-OE1 3.33Š|
| 309 | R | 63.8 | Low | 78.3 | Confident | 235 Ų | 235 | 90 Ų | 90 | 89% | 0.887 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.2 | 3.7 | -178 | -67.4 | -170.9 | 179.4 | -127.9 | 1.8 | 112.8 | S307 | S307-R309 PolarHBondContact O-N 3.26Š|
| 310 | R | 59.6 | Low | 78.2 | Confident | 148 Ų | 148 | 90.7 Ų | 90.7 | 56% | 0.558 | 45% | 0.454 | S | S | * | . | trans | -139 | 5.9 | -175.1 | -68.5 | -164.6 | 178.3 | -133.2 | 0.3 | 115 | S307 G312 K313 | S307-R310 PolarHBondContact O-N 3.41Å; R310-G312 PolarHBondContact O-N 3.01Å; R310-G312 VanDerWaalsContact O-N 3.14Å; R310-K313 PolarHBondContact O-N 3.05Å | ||
| 311 | E | 58.7 | Low | 78.3 | Confident | 156 Ų | 156 | 88.6 Ų | 88.6 | 73% | 0.729 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 115.1 | 169 | 54.7 | -128.8 | 117.7 | 0 | 0 | 110.1 | K308 | K308-E311 WeakPolarHBondContact CA-OE1 3.33Š|
| 312 | G | 66.8 | Low | 78.5 | Confident | 88 Ų | 88 | 87 Ų | 87 | 91% | 0.907 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.2 | -7.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | R310 | R310-G312 PolarHBondContact O-N 3.01Å; R310-G312 VanDerWaalsContact O-N 3.14Å |
| 313 | K | 77.5 | Confident | 78.7 | Confident | 146 Ų | 146 | 85.2 Ų | 85.2 | 64% | 0.635 | 43% | 0.43 | S | S | * | . | trans | -89.7 | 115.6 | 171.3 | -163.4 | -167.5 | 176.6 | -165.5 | 0 | 110.9 | R310 | R310-K313 PolarHBondContact O-N 3.05Š| ||
| 314 | Q | 82.9 | Confident | 79.2 | Confident | 109 Ų | 109 | 84.2 Ų | 84.2 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 138.2 | 168.9 | -74.8 | 174.7 | 0.6 | 0 | 0 | 110.8 | ||
| 315 | L | 88.8 | Confident | 80.1 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 136.8 | 177.3 | -65.5 | 176.6 | 0 | 0 | 0 | 110.1 | E319 L320 | L315-E319 HydrophobicContact CB-CB 4.14Å; L315-E319 HydrophobicContact CD2-CB 4.1Å; L315-L320 HydrophobicContact CB-CD2 3.82Å; L315-L320 HydrophobicContact CB-CG 3.81Å; L315-L320 HydrophobicContact CD1-CD2 3.84Å; L315-L320 HydrophobicContact CG-CD2 4.46Å |
| 316 | S | 91.4 | Very high | 81.7 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 157.1 | 169.8 | 61.3 | 0 | 0 | 0 | 0 | 111 | H318 E319 L320 | S316-H318 PolarHBondContact O-N 3.48Å; S316-H318 VanDerWaalsContact O-N 3.12Å; S316-E319 WeakPolarHBondContact CB-OE2 3.45Å; S316-E319 PolarHBondContact N-OE2 3Å; S316-E319 WeakPolarHBondContact O-CB 3.43Å; S316-E319 PolarHBondContact O-N 2.92Å; S316-E319 VanDerWaalsContact OG-CG 3.29Å; S316-E319 WeakPolarHBondContact OG-CG 3.23Å; S316-E319 PolarHBondContact OG-N 3.05Å; S316-E319 PolarHBondContact OG-OE2 3.38Å; S316-L320 PolarHBondContact O-N 3.44Å |
| 317 | L | 91.3 | Very high | 83.4 | Confident | 109 Ų | 109 | 71 Ų | 71 | 57% | 0.571 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -48.1 | -42.5 | 174.6 | 178.4 | 61.5 | 0 | 0 | 0 | 112.1 | L237 L320 T321 | L237-L317 HydrophobicContact CD2-CD1 3.66Å; L317-L320 PolarHBondContact O-N 3.01Å; L317-T321 PolarHBondContact O-N 3.36Å; L317-T321 PolarHBondContact O-OG1 2.96Å |
| 318 | H | 93.5 | Very high | 85.2 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 178 | -175.2 | 68.7 | 0 | 0 | 0 | 113.5 | S316 T321 I322 | S316-H318 PolarHBondContact O-N 3.48Å; S316-H318 VanDerWaalsContact O-N 3.12Å; H318-T321 PolarHBondContact O-N 3.46Å; H318-I322 WeakPolarHBondContact NE2-CD1 3.46Å; H318-I322 WeakPolarHBondContact O-CG1 3.4Å; H318-I322 PolarHBondContact O-N 2.88Å |
| 319 | E | 93.8 | Very high | 86.9 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.9 | -71 | 166.5 | 123.8 | 0 | 0 | 111 | Y302 L315 S316 I322 N323 | Y302-E319 HydrophobicContact CD1-CG 3.79Å; Y302-E319 HydrophobicContact CD2-CB 4.1Å; Y302-E319 HydrophobicContact CD2-CG 3.97Å; Y302-E319 HydrophobicContact CE1-CG 4.25Å; Y302-E319 HydrophobicContact CE2-CG 4.4Å; Y302-E319 HydrophobicContact CG-CB 3.93Å; Y302-E319 HydrophobicContact CG-CG 3.64Å; L315-E319 HydrophobicContact CB-CB 4.14Å; L315-E319 HydrophobicContact CD2-CB 4.1Å; S316-E319 WeakPolarHBondContact CB-OE2 3.45Å; S316-E319 PolarHBondContact N-OE2 3Å; S316-E319 WeakPolarHBondContact O-CB 3.43Å; S316-E319 PolarHBondContact O-N 2.92Å; S316-E319 VanDerWaalsContact OG-CG 3.29Å; S316-E319 WeakPolarHBondContact OG-CG 3.23Å; S316-E319 PolarHBondContact OG-N 3.05Å; S316-E319 PolarHBondContact OG-OE2 3.38Å; E319-I322 PolarHBondContact O-N 2.87Å; E319-N323 PolarHBondContact O-N 3.46Å |
| 320 | L | 93.4 | Very high | 88.4 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 172.6 | -68.1 | 171.5 | 0 | 0 | 0 | 111.6 | P234 L237 L315 S316 L317 I322 N323 E324 | P234-L320 WeakPolarHBondContact O-CD1 3.43Å; L237-L320 HydrophobicContact CD2-CB 3.48Å; L237-L320 VanDerWaalsContact CD2-CB 3.48Å; L237-L320 HydrophobicContact CD2-CD1 4.43Å; L237-L320 HydrophobicContact CG-CB 3.89Å; L315-L320 HydrophobicContact CB-CD2 3.82Å; L315-L320 HydrophobicContact CB-CG 3.81Å; L315-L320 HydrophobicContact CD1-CD2 3.84Å; L315-L320 HydrophobicContact CG-CD2 4.46Å; S316-L320 PolarHBondContact O-N 3.44Å; L317-L320 PolarHBondContact O-N 3.01Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 PolarHBondContact O-N 3.38Å; L320-N323 PolarHBondContact O-N 2.81Å; L320-E324 PolarHBondContact O-N 3Å |
| 321 | T | 95.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 176.4 | -55 | 0 | 0 | 0 | 0 | 112 | V245 L317 H318 A325 A351 | V245-T321 HydrophobicContact CG2-CG2 3.74Å; L317-T321 PolarHBondContact O-N 3.36Å; L317-T321 PolarHBondContact O-OG1 2.96Å; H318-T321 PolarHBondContact O-N 3.46Å; T321-A325 VanDerWaalsContact O-CB 3.26Å; T321-A325 WeakPolarHBondContact O-CB 3.37Å; T321-A325 PolarHBondContact O-N 3.18Å; T321-A351 HydrophobicContact CG2-CB 3.84Å |
| 322 | I | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -41.4 | 176.1 | -73.7 | 176.8 | 0 | 0 | 0 | 111.6 | I301 Y302 H318 E319 L320 A326 S347 A351 | I301-I322 HydrophobicContact CB-CG2 4.12Å; I301-I322 HydrophobicContact CD1-CG2 3.84Å; I301-I322 HydrophobicContact CG1-CG2 4.37Å; I301-I322 HydrophobicContact CG2-CG2 4.19Å; Y302-I322 HydrophobicContact CD2-CB 4.25Å; Y302-I322 HydrophobicContact CD2-CG2 3.95Å; Y302-I322 HydrophobicContact CE2-CB 4.17Å; Y302-I322 HydrophobicContact CE2-CD1 3.79Å; Y302-I322 HydrophobicContact CE2-CG2 3.81Å; H318-I322 WeakPolarHBondContact NE2-CD1 3.46Å; H318-I322 WeakPolarHBondContact O-CG1 3.4Å; H318-I322 PolarHBondContact O-N 2.88Å; E319-I322 PolarHBondContact O-N 2.87Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 PolarHBondContact O-N 3.38Å; I322-A326 WeakPolarHBondContact O-CB 3.38Å; I322-A326 PolarHBondContact O-N 3.38Å; I322-S347 WeakPolarHBondContact O-CB 3.28Å; I322-A351 HydrophobicContact CD1-CB 4.31Å; I322-A351 HydrophobicContact CG1-CB 3.6Å |
| 323 | N | 95.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 178.1 | -78.9 | -9.5 | 0 | 0 | 0 | 112 | I301 Y302 E319 L320 A326 A327 | I301-N323 PolarHBondContact N-OD1 2.85Å; Y302-N323 PolarHBondContact N-OD1 3.32Å; Y302-N323 PolarHBondContact O-ND2 2.96Å; E319-N323 PolarHBondContact O-N 3.46Å; L320-N323 PolarHBondContact O-N 2.81Å; N323-A326 WeakPolarHBondContact O-CB 3.5Å; N323-A326 PolarHBondContact O-N 2.93Å; N323-A327 PolarHBondContact O-N 3.04Å |
| 324 | E | 95.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 13% | 0.131 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 176.1 | -179.2 | 62 | -152.7 | 0 | 0 | 111.1 | L237 V242 V245 R296 L320 A326 A327 Q328 | L237-E324 HydrophobicContact CD1-CB 3.43Å; L237-E324 VanDerWaalsContact CD1-CB 3.43Å; L237-E324 HydrophobicContact CD1-CG 3.91Å; V242-E324 HydrophobicContact CG1-CG 4.41Å; V245-E324 HydrophobicContact CG1-CB 4.49Å; V245-E324 HydrophobicContact CG1-CG 4.01Å; R296-E324 IonicContact NH1-OE2 2.69Å; L320-E324 PolarHBondContact O-N 3Å; E324-A326 PolarHBondContact O-N 3.13Å; E324-A327 PolarHBondContact O-N 2.94Å; E324-Q328 HydrophobicContact CG-CG 4.28Å; E324-Q328 WeakPolarHBondContact O-CB 3.14Å; E324-Q328 VanDerWaalsContact O-CG 3.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.38Å; E324-Q328 PolarHBondContact O-N 3.28Å; E324-Q328 WeakPolarHBondContact OE1-CG 3.36Å; E324-Q328 PolarHBondContact OE1-NE2 3.38Å |
| 325 | A | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V245 V249 T321 Q328 F329 V350 | V245-A325 HydrophobicContact CG1-CB 3.94Å; V249-A325 HydrophobicContact CG2-CB 4.42Å; T321-A325 VanDerWaalsContact O-CB 3.26Å; T321-A325 WeakPolarHBondContact O-CB 3.37Å; T321-A325 PolarHBondContact O-N 3.18Å; A325-Q328 PolarHBondContact O-N 2.99Å; A325-F329 WeakPolarHBondContact O-CD2 3.47Å; A325-F329 PolarHBondContact O-N 2.77Å; A325-V350 HydrophobicContact CB-CB 3.9Å; A325-V350 HydrophobicContact CB-CG1 3.85Å; A325-V350 HydrophobicContact CB-CG2 4.39Å |
| 326 | A | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S299 I301 I322 N323 E324 F329 C330 L343 S347 | S299-A326 WeakPolarHBondContact O-CB 3.26Å; I301-A326 HydrophobicContact CD1-CB 3.8Å; I301-A326 HydrophobicContact CG1-CB 3.96Å; I322-A326 WeakPolarHBondContact O-CB 3.38Å; I322-A326 PolarHBondContact O-N 3.38Å; N323-A326 WeakPolarHBondContact O-CB 3.5Å; N323-A326 PolarHBondContact O-N 2.93Å; E324-A326 PolarHBondContact O-N 3.13Å; A326-F329 PolarHBondContact O-N 3.34Å; A326-C330 WeakPolarHBondContact O-CB 3.34Å; A326-C330 PolarHBondContact O-N 3.24Å; A326-C330 PolarHBondContact O-SG 3.39Å; A326-L343 HydrophobicContact CB-CD1 4.06Å; A326-L343 HydrophobicContact CB-CD2 4.38Å; A326-L343 HydrophobicContact CB-CG 4.22Å; A326-S347 WeakPolarHBondContact CA-OG 3.33Å; A326-S347 WeakPolarHBondContact CB-OG 3.48Å; A326-S347 PolarHBondContact N-OG 2.94Å |
| 327 | A | 96.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R296 S299 N323 E324 F329 C330 M331 | R296-A327 HydrophobicContact CG-CB 4.16Å; S299-A327 WeakPolarHBondContact OG-CA 3.25Å; N323-A327 PolarHBondContact O-N 3.04Å; E324-A327 PolarHBondContact O-N 2.94Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 2.99Å; A327-C330 PolarHBondContact O-N 3.22Å; A327-C330 VanDerWaalsContact O-N 3.1Å; A327-M331 HydrophobicContact CB-CE 4.5Å; A327-M331 WeakPolarHBondContact O-CG 3.2Å; A327-M331 PolarHBondContact O-N 2.96Å |
| 328 | Q | 96.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 19.7 Ų | 19.7 | 9% | 0.089 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -33.3 | 179.9 | -70.1 | -68.3 | -16.6 | 0 | 0 | 113.9 | V245 V246 V249 E324 A325 M331 R332 | V245-Q328 HydrophobicContact CG1-CG 4.44Å; V246-Q328 HydrophobicContact CG2-CG 4.18Å; V249-Q328 HydrophobicContact CB-CB 4.31Å; V249-Q328 HydrophobicContact CG1-CB 4.07Å; V249-Q328 HydrophobicContact CG2-CB 3.87Å; E324-Q328 HydrophobicContact CG-CG 4.28Å; E324-Q328 WeakPolarHBondContact O-CB 3.14Å; E324-Q328 VanDerWaalsContact O-CG 3.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.38Å; E324-Q328 PolarHBondContact O-N 3.28Å; E324-Q328 WeakPolarHBondContact OE1-CG 3.36Å; E324-Q328 PolarHBondContact OE1-NE2 3.38Å; A325-Q328 PolarHBondContact O-N 2.99Å; Q328-M331 HydrophobicContact CB-CE 4.45Å; Q328-M331 VanDerWaalsContact CD-CE 3.41Å; Q328-M331 HydrophobicContact CG-CE 4.09Å; Q328-R332 PolarHBondContact O-NH1 2.83Å |
| 329 | F | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.2 | -47.2 | 169.8 | -82.6 | -58.7 | 0 | 0 | 0 | 111.8 | V249 I252 F253 A325 A326 A327 M331 R332 D333 L336 L343 L346 V350 | V249-F329 HydrophobicContact CB-CE1 4.35Å; V249-F329 HydrophobicContact CB-CZ 4.32Å; V249-F329 HydrophobicContact CG1-CD1 3.8Å; V249-F329 HydrophobicContact CG1-CE1 3.83Å; V249-F329 HydrophobicContact CG1-CG 4.21Å; V249-F329 HydrophobicContact CG1-CZ 4.27Å; V249-F329 HydrophobicContact CG2-CD2 4.17Å; V249-F329 HydrophobicContact CG2-CE1 4.36Å; V249-F329 HydrophobicContact CG2-CE2 3.86Å; V249-F329 HydrophobicContact CG2-CZ 3.95Å; I252-F329 HydrophobicContact CB-CE1 4.42Å; I252-F329 HydrophobicContact CB-CZ 4.3Å; I252-F329 HydrophobicContact CD1-CZ 4.25Å; I252-F329 HydrophobicContact CG2-CE1 4.05Å; I252-F329 HydrophobicContact CG2-CZ 4.02Å; F253-F329 HydrophobicContact CD2-CD1 4.28Å; A325-F329 WeakPolarHBondContact O-CD2 3.47Å; A325-F329 PolarHBondContact O-N 2.77Å; A326-F329 PolarHBondContact O-N 3.34Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 2.99Å; F329-M331 VanDerWaalsContact C-N 3.34Å; F329-M331 PolarHBondContact O-N 3.22Å; F329-R332 PolarHBondContact O-N 3.21Å; F329-R332 VanDerWaalsContact O-N 3.08Å; F329-D333 PolarHBondContact O-N 3.42Å; F329-L336 HydrophobicContact CB-CD1 3.82Å; F329-L336 HydrophobicContact CD1-CD1 4.43Å; F329-L336 HydrophobicContact CG-CD1 4.42Å; F329-L343 HydrophobicContact CB-CD1 3.81Å; F329-L346 HydrophobicContact CD1-CD1 4.38Å; F329-L346 HydrophobicContact CD2-CB 3.93Å; F329-L346 HydrophobicContact CE1-CB 4.33Å; F329-L346 HydrophobicContact CE1-CD1 4.4Å; F329-L346 HydrophobicContact CE2-CB 3.55Å; F329-L346 HydrophobicContact CZ-CB 3.78Å; F329-V350 HydrophobicContact CE2-CG2 3.59Å; F329-V350 HydrophobicContact CZ-CG2 3.72Å |
| 330 | C | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.5 | -31.5 | -177.9 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | I295 A326 A327 R332 D333 N334 L337 L343 | I295-C330 HydrophobicContact CG2-CB 3.47Å; I295-C330 VanDerWaalsContact CG2-CB 3.47Å; A326-C330 WeakPolarHBondContact O-CB 3.34Å; A326-C330 PolarHBondContact O-N 3.24Å; A326-C330 PolarHBondContact O-SG 3.39Å; A327-C330 PolarHBondContact O-N 3.22Å; A327-C330 VanDerWaalsContact O-N 3.1Å; C330-R332 PolarHBondContact O-N 2.93Å; C330-D333 CarbonylContact O-C 3.19Å; C330-D333 PolarHBondContact O-N 2.94Å; C330-N334 WeakPolarHBondContact O-CA 3.35Å; C330-N334 PolarHBondContact O-N 3.29Å; C330-N334 VanDerWaalsContact O-N 3.17Å; C330-N334 PolarHBondContact O-OD1 3.21Å; C330-L337 HydrophobicContact CB-CD2 4.05Å; C330-L337 HydrophobicContact CB-CG 4.16Å; C330-L343 VanDerWaalsContact SG-CD2 3.55Å |
| 331 | M | 92.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 28.8 Ų | 28.8 | 27% | 0.266 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -22.5 | 172.4 | -70.6 | -175.4 | -67.6 | 0 | 0 | 113.2 | E292 I295 A327 Q328 F329 | E292-M331 HydrophobicContact CG-SD 3.62Å; I295-M331 HydrophobicContact CG2-CG 3.88Å; A327-M331 HydrophobicContact CB-CE 4.5Å; A327-M331 WeakPolarHBondContact O-CG 3.2Å; A327-M331 PolarHBondContact O-N 2.96Å; Q328-M331 HydrophobicContact CB-CE 4.45Å; Q328-M331 VanDerWaalsContact CD-CE 3.41Å; Q328-M331 HydrophobicContact CG-CE 4.09Å; F329-M331 VanDerWaalsContact C-N 3.34Å; F329-M331 PolarHBondContact O-N 3.22Å |
| 332 | R | 90.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 31.3 Ų | 31.3 | 28% | 0.275 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -29.5 | 176 | -70.9 | 174 | 174.6 | 71.6 | 1.9 | 112.7 | E250 F253 Q328 F329 C330 | E250-R332 IonicContact OE1-CZ 2.84Å; E250-R332 IonicContact OE1-NH2 3.57Å; E250-R332 PolarHBondContact OE1-NH2 3.19Å; F253-R332 HydrophobicContact CD2-CB 4.16Å; F253-R332 HydrophobicContact CE1-CB 4.17Å; F253-R332 HydrophobicContact CE2-CB 3.79Å; F253-R332 HydrophobicContact CZ-CB 3.79Å; Q328-R332 PolarHBondContact O-NH1 2.83Å; F329-R332 PolarHBondContact O-N 3.21Å; F329-R332 VanDerWaalsContact O-N 3.08Å; C330-R332 PolarHBondContact O-N 2.93Å |
| 333 | D | 90.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 14% | 0.139 | 15% | 0.151 | C | C | . | . | trans | -143.8 | 97.6 | 174.3 | -177.6 | -1.2 | 0 | 0 | 0 | 110.9 | F253 F329 C330 T335 L336 R339 | F253-D333 HydrophobicContact CE2-CB 3.75Å; F253-D333 HydrophobicContact CZ-CB 3.86Å; F329-D333 PolarHBondContact O-N 3.42Å; C330-D333 CarbonylContact O-C 3.19Å; C330-D333 PolarHBondContact O-N 2.94Å; D333-T335 PolarHBondContact O-N 3.14Å; D333-T335 WeakPolarHBondContact OD1-CB 2.85Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.48Å; D333-T335 PolarHBondContact OD1-N 3.09Å; D333-T335 PolarHBondContact OD1-OG1 3.12Å; D333-T335 PolarHBondContact OD2-OG1 3.27Å; D333-T335 VanDerWaalsContact OD2-OG1 3.05Å; D333-L336 HydrophobicContact CB-CD1 4.01Å; D333-L336 HydrophobicContact CB-CG 4.14Å; D333-L336 WeakPolarHBondContact O-CB 3.46Å; D333-L336 PolarHBondContact O-N 3.06Å; D333-L336 VanDerWaalsContact O-N 3.1Å; D333-R339 IonicContact OD2-NH2 2.66Å; D333-R339 PolarHBondContact OD2-NH2 3.25Å | ||
| 334 | N | 91.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -54.9 | -26.8 | 177.9 | -64.8 | -48.4 | 0 | 0 | 0 | 112.6 | F282 I295 C330 L336 L337 | F282-N334 HydrophobicContact CD1-CB 3.96Å; F282-N334 HydrophobicContact CE1-CB 3.53Å; F282-N334 HydrophobicContact CZ-CB 4.14Å; F282-N334 VanDerWaalsContact CZ-O 3.24Å; F282-N334 WeakPolarHBondContact CZ-O 3.46Å; I295-N334 WeakPolarHBondContact CD1-OD1 3.24Å; C330-N334 WeakPolarHBondContact O-CA 3.35Å; C330-N334 PolarHBondContact O-N 3.29Å; C330-N334 VanDerWaalsContact O-N 3.17Å; C330-N334 PolarHBondContact O-OD1 3.21Å; N334-L336 PolarHBondContact O-N 2.85Å; N334-L337 WeakPolarHBondContact O-CB 3.46Å; N334-L337 WeakPolarHBondContact O-CG 3.35Å; N334-L337 PolarHBondContact O-N 2.9Å |
| 335 | T | 90.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -67.4 | -19.8 | -177.6 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | V264 F282 D333 L337 L338 R339 | V264-T335 HydrophobicContact CB-CG2 4.25Å; V264-T335 HydrophobicContact CG1-CG2 4.08Å; V264-T335 HydrophobicContact CG2-CG2 3.36Å; F282-T335 HydrophobicContact CE1-CG2 4.32Å; D333-T335 PolarHBondContact O-N 3.14Å; D333-T335 WeakPolarHBondContact OD1-CB 2.85Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.48Å; D333-T335 PolarHBondContact OD1-N 3.09Å; D333-T335 PolarHBondContact OD1-OG1 3.12Å; D333-T335 PolarHBondContact OD2-OG1 3.27Å; D333-T335 VanDerWaalsContact OD2-OG1 3.05Å; T335-L337 PolarHBondContact O-N 3.23Å; T335-L338 WeakPolarHBondContact O-CA 3.36Å; T335-L338 VanDerWaalsContact O-CB 3.3Å; T335-L338 WeakPolarHBondContact O-CB 3.4Å; T335-L338 PolarHBondContact O-N 3.32Å; T335-R339 PolarHBondContact O-N 2.95Å; T335-R339 PolarHBondContact OG1-NE 3.13Å; T335-R339 PolarHBondContact OG1-NH2 3.45Å |
| 336 | L | 92.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -66.7 | -20.7 | 176.4 | -67.1 | 173.4 | 0 | 0 | 0 | 112.7 | F329 D333 N334 L338 R339 E342 L343 L346 | F329-L336 HydrophobicContact CB-CD1 3.82Å; F329-L336 HydrophobicContact CD1-CD1 4.43Å; F329-L336 HydrophobicContact CG-CD1 4.42Å; D333-L336 HydrophobicContact CB-CD1 4.01Å; D333-L336 HydrophobicContact CB-CG 4.14Å; D333-L336 WeakPolarHBondContact O-CB 3.46Å; D333-L336 PolarHBondContact O-N 3.06Å; D333-L336 VanDerWaalsContact O-N 3.1Å; N334-L336 PolarHBondContact O-N 2.85Å; L336-L338 PolarHBondContact O-N 3.14Å; L336-R339 HydrophobicContact CD2-CB 4.46Å; L336-R339 CarbonylContact O-C 3.41Å; L336-R339 PolarHBondContact O-N 2.72Å; L336-R339 VanDerWaalsContact O-N 3.14Å; L336-E342 HydrophobicContact CD2-CG 4.22Å; L336-L343 HydrophobicContact CB-CB 4.39Å; L336-L343 HydrophobicContact CB-CD1 4.15Å; L336-L346 HydrophobicContact CD1-CD1 4.27Å; L336-L346 HydrophobicContact CD2-CD1 4.27Å |
| 337 | L | 92.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60.2 | -28.9 | 167.2 | -65.3 | 174.1 | 0 | 0 | 0 | 112.3 | I281 I295 C330 N334 T335 | I281-L337 HydrophobicContact CD1-CD1 4Å; I281-L337 HydrophobicContact CG2-CD1 4.36Å; I295-L337 HydrophobicContact CG1-CD1 4.45Å; C330-L337 HydrophobicContact CB-CD2 4.05Å; C330-L337 HydrophobicContact CB-CG 4.16Å; N334-L337 WeakPolarHBondContact O-CB 3.46Å; N334-L337 WeakPolarHBondContact O-CG 3.35Å; N334-L337 PolarHBondContact O-N 2.9Å; T335-L337 PolarHBondContact O-N 3.23Å |
| 338 | L | 90.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -29 | 175.6 | -50.2 | 178.6 | 0 | 0 | 0 | 111.9 | V264 L267 L268 L274 V278 F282 T335 L336 R340 | V264-L338 HydrophobicContact CG1-CD1 4.33Å; L267-L338 HydrophobicContact CB-CB 4.35Å; L267-L338 HydrophobicContact CB-CD1 3.68Å; L267-L338 HydrophobicContact CD1-CB 4.26Å; L267-L338 HydrophobicContact CD1-CD1 4.29Å; L268-L338 HydrophobicContact CD2-CD1 3.88Å; L268-L338 HydrophobicContact CD2-CD2 3.79Å; L268-L338 HydrophobicContact CD2-CG 4.5Å; L268-L338 HydrophobicContact CG-CD1 3.85Å; L274-L338 HydrophobicContact CD2-CB 4.42Å; L274-L338 HydrophobicContact CD2-CD2 3.76Å; L274-L338 HydrophobicContact CG-CD2 3.85Å; V278-L338 HydrophobicContact CG2-CD2 3.68Å; F282-L338 HydrophobicContact CE2-CD1 4.3Å; F282-L338 HydrophobicContact CE2-CD2 4.28Å; F282-L338 HydrophobicContact CE2-CG 4.31Å; F282-L338 HydrophobicContact CZ-CD1 3.9Å; F282-L338 HydrophobicContact CZ-CD2 4.42Å; F282-L338 HydrophobicContact CZ-CG 3.97Å; T335-L338 WeakPolarHBondContact O-CA 3.36Å; T335-L338 VanDerWaalsContact O-CB 3.3Å; T335-L338 WeakPolarHBondContact O-CB 3.4Å; T335-L338 PolarHBondContact O-N 3.32Å; L336-L338 PolarHBondContact O-N 3.14Å; L338-R340 PolarHBondContact O-N 2.73Å |
| 339 | R | 91.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 44.1 Ų | 44.1 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | trans | -101.7 | 51.8 | -175.2 | -59 | -175.4 | -74.8 | 146.5 | -9.5 | 112.3 | L267 D333 T335 L336 V341 E342 L343 | L267-R339 HydrophobicContact CD1-CG 4.11Å; D333-R339 IonicContact OD2-NH2 2.66Å; D333-R339 PolarHBondContact OD2-NH2 3.25Å; T335-R339 PolarHBondContact O-N 2.95Å; T335-R339 PolarHBondContact OG1-NE 3.13Å; T335-R339 PolarHBondContact OG1-NH2 3.45Å; L336-R339 HydrophobicContact CD2-CB 4.46Å; L336-R339 CarbonylContact O-C 3.41Å; L336-R339 PolarHBondContact O-N 2.72Å; L336-R339 VanDerWaalsContact O-N 3.14Å; R339-V341 VanDerWaalsContact C-N 3.27Å; R339-V341 PolarHBondContact O-N 2.94Å; R339-E342 HydrophobicContact CB-CB 4.18Å; R339-E342 WeakPolarHBondContact CD-OE2 3.29Å; R339-E342 IonicContact CZ-OE1 3.93Å; R339-E342 IonicContact CZ-OE2 2.77Å; R339-E342 IonicContact NE-OE2 2.83Å; R339-E342 IonicContact NH1-OE1 3.84Å; R339-E342 PolarHBondContact NH1-OE1 2.66Å; R339-E342 IonicContact NH1-OE2 3.5Å; R339-E342 PolarHBondContact NH1-OE2 2.87Å; R339-E342 WeakPolarHBondContact O-CB 3.35Å; R339-E342 PolarHBondContact O-N 2.94Å; R339-L343 PolarHBondContact O-N 3.36Å | ||
| 340 | R | 91.3 | Very high | 93.5 | Very high | 129 Ų | 129 | 44 Ų | 44 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -51.4 | -35.5 | -171.8 | -174.5 | -179.5 | -68.8 | -167.3 | 0.2 | 115.5 | R304 L338 E342 F344 | R304-R340 VanDerWaalsContact NH2-NH2 3.14Å; L338-R340 PolarHBondContact O-N 2.73Å; R340-E342 VanDerWaalsContact C-N 3.35Å; R340-F344 WeakPolarHBondContact O-CB 3.5Å; R340-F344 PolarHBondContact O-N 3.36Å |
| 341 | V | 93.9 | Very high | 93.5 | Very high | 123 Ų | 123 | 44 Ų | 44 | 75% | 0.745 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.1 | -38.3 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | R339 S345 | R339-V341 VanDerWaalsContact C-N 3.27Å; R339-V341 PolarHBondContact O-N 2.94Å; V341-S345 PolarHBondContact O-N 3.12Å; V341-S345 PolarHBondContact O-OG 3.05Å |
| 342 | E | 93.7 | Very high | 93.6 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.2 | -50.4 | 175.7 | -173.8 | 177.9 | 168.6 | 0 | 0 | 110.2 | L336 R339 R340 F344 S345 L346 | L336-E342 HydrophobicContact CD2-CG 4.22Å; R339-E342 HydrophobicContact CB-CB 4.18Å; R339-E342 WeakPolarHBondContact CD-OE2 3.29Å; R339-E342 IonicContact CZ-OE1 3.93Å; R339-E342 IonicContact CZ-OE2 2.77Å; R339-E342 IonicContact NE-OE2 2.83Å; R339-E342 IonicContact NH1-OE1 3.84Å; R339-E342 PolarHBondContact NH1-OE1 2.66Å; R339-E342 IonicContact NH1-OE2 3.5Å; R339-E342 PolarHBondContact NH1-OE2 2.87Å; R339-E342 WeakPolarHBondContact O-CB 3.35Å; R339-E342 PolarHBondContact O-N 2.94Å; R340-E342 VanDerWaalsContact C-N 3.35Å; E342-F344 VanDerWaalsContact C-N 3.3Å; E342-F344 PolarHBondContact O-N 2.85Å; E342-S345 WeakPolarHBondContact O-CA 3.48Å; E342-S345 WeakPolarHBondContact O-CB 3.39Å; E342-S345 PolarHBondContact O-N 3.48Å; E342-L346 HydrophobicContact CG-CD1 4.11Å; E342-L346 HydrophobicContact CG-CG 4.45Å; E342-L346 WeakPolarHBondContact O-CG 3.37Å; E342-L346 PolarHBondContact O-N 2.97Å |
| 343 | L | 95.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -51 | -47.8 | 174.4 | -179.5 | 62.1 | 0 | 0 | 0 | 112.2 | I301 A326 F329 C330 L336 R339 S345 L346 S347 | I301-L343 HydrophobicContact CD1-CG 4.49Å; A326-L343 HydrophobicContact CB-CD1 4.06Å; A326-L343 HydrophobicContact CB-CD2 4.38Å; A326-L343 HydrophobicContact CB-CG 4.22Å; F329-L343 HydrophobicContact CB-CD1 3.81Å; C330-L343 VanDerWaalsContact SG-CD2 3.55Å; L336-L343 HydrophobicContact CB-CB 4.39Å; L336-L343 HydrophobicContact CB-CD1 4.15Å; R339-L343 PolarHBondContact O-N 3.36Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.8Å; L343-L346 PolarHBondContact O-N 3.09Å; L343-S347 WeakPolarHBondContact O-CB 3.37Å; L343-S347 PolarHBondContact O-N 3.44Å; L343-S347 PolarHBondContact O-OG 2.89Å; L343-S347 VanDerWaalsContact O-OG 3.13Å |
| 344 | F | 96.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 31% | 0.311 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.4 | -38.8 | 176.8 | 179.4 | -114.7 | 0 | 0 | 0 | 113 | I301 Y302 R340 E342 R348 | I301-F344 HydrophobicContact CD1-CB 4.32Å; I301-F344 HydrophobicContact CD1-CD2 4.05Å; I301-F344 HydrophobicContact CG2-CD2 3.64Å; I301-F344 HydrophobicContact CG2-CE2 3.95Å; Y302-F344 HydrophobicContact CE2-CE2 4.18Å; R340-F344 WeakPolarHBondContact O-CB 3.5Å; R340-F344 PolarHBondContact O-N 3.36Å; E342-F344 VanDerWaalsContact C-N 3.3Å; E342-F344 PolarHBondContact O-N 2.85Å; F344-R348 VanDerWaalsContact O-CB 3.23Å; F344-R348 WeakPolarHBondContact O-CB 3.38Å; F344-R348 PolarHBondContact O-N 3.24Å |
| 345 | S | 95.9 | Very high | 93.2 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -43.7 | 179.2 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | V341 E342 L343 R348 Q349 | V341-S345 PolarHBondContact O-N 3.12Å; V341-S345 PolarHBondContact O-OG 3.05Å; E342-S345 WeakPolarHBondContact O-CA 3.48Å; E342-S345 WeakPolarHBondContact O-CB 3.39Å; E342-S345 PolarHBondContact O-N 3.48Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.8Å; S345-R348 PolarHBondContact O-N 3.36Å; S345-Q349 PolarHBondContact O-N 2.85Å |
| 346 | L | 95.6 | Very high | 93 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -49 | 177.1 | -64.6 | 174.2 | 0 | 0 | 0 | 111.9 | I252 F256 F329 L336 E342 L343 R348 Q349 V350 | I252-L346 HydrophobicContact CG2-CD2 4.21Å; F256-L346 HydrophobicContact CE1-CD2 4.19Å; F256-L346 HydrophobicContact CE2-CD2 4.02Å; F256-L346 HydrophobicContact CZ-CD2 3.5Å; F256-L346 VanDerWaalsContact CZ-CD2 3.5Å; F329-L346 HydrophobicContact CD1-CD1 4.38Å; F329-L346 HydrophobicContact CD2-CB 3.93Å; F329-L346 HydrophobicContact CE1-CB 4.33Å; F329-L346 HydrophobicContact CE1-CD1 4.4Å; F329-L346 HydrophobicContact CE2-CB 3.55Å; F329-L346 HydrophobicContact CZ-CB 3.78Å; L336-L346 HydrophobicContact CD1-CD1 4.27Å; L336-L346 HydrophobicContact CD2-CD1 4.27Å; E342-L346 HydrophobicContact CG-CD1 4.11Å; E342-L346 HydrophobicContact CG-CG 4.45Å; E342-L346 WeakPolarHBondContact O-CG 3.37Å; E342-L346 PolarHBondContact O-N 2.97Å; L343-L346 PolarHBondContact O-N 3.09Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.12Å; L346-Q349 WeakPolarHBondContact O-CB 3.38Å; L346-Q349 PolarHBondContact O-N 3.03Å; L346-V350 PolarHBondContact O-N 3.36Å |
| 347 | S | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 178 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | I322 A326 L343 V350 A351 | I322-S347 WeakPolarHBondContact O-CB 3.28Å; A326-S347 WeakPolarHBondContact CA-OG 3.33Å; A326-S347 WeakPolarHBondContact CB-OG 3.48Å; A326-S347 PolarHBondContact N-OG 2.94Å; L343-S347 WeakPolarHBondContact O-CB 3.37Å; L343-S347 PolarHBondContact O-N 3.44Å; L343-S347 PolarHBondContact O-OG 2.89Å; L343-S347 VanDerWaalsContact O-OG 3.13Å; S347-V350 PolarHBondContact O-N 3.19Å; S347-A351 WeakPolarHBondContact O-CB 3.41Å; S347-A351 PolarHBondContact O-N 3.06Å |
| 348 | R | 96.6 | Very high | 92 | Very high | 105 Ų | 105 | 61.2 Ų | 61.2 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 172.1 | 172.9 | 171.6 | -84.2 | -96.8 | -7.9 | 112.4 | F344 S345 L346 R352 | F344-R348 VanDerWaalsContact O-CB 3.23Å; F344-R348 WeakPolarHBondContact O-CB 3.38Å; F344-R348 PolarHBondContact O-N 3.24Å; S345-R348 PolarHBondContact O-N 3.36Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.12Å; R348-R352 WeakPolarHBondContact O-CG 3.42Å; R348-R352 PolarHBondContact O-N 3.13Å |
| 349 | Q | 95.1 | Very high | 91.5 | Very high | 81 Ų | 81 | 64.5 Ų | 64.5 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -51.8 | 172.2 | 177.2 | 178.2 | -20.7 | 0 | 0 | 110.5 | I252 S345 L346 A351 R352 E353 | I252-Q349 HydrophobicContact CD1-CG 3.98Å; S345-Q349 PolarHBondContact O-N 2.85Å; L346-Q349 WeakPolarHBondContact O-CB 3.38Å; L346-Q349 PolarHBondContact O-N 3.03Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.32Å; Q349-R352 WeakPolarHBondContact O-CB 3.43Å; Q349-R352 PolarHBondContact O-N 3.34Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.48Å; Q349-E353 PolarHBondContact NE2-OE1 3.13Å; Q349-E353 PolarHBondContact O-N 3.08Å |
| 350 | V | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.3 | -47.9 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 111 | V245 V249 I252 A325 F329 L346 S347 R352 E353 S354 | V245-V350 HydrophobicContact CB-CG1 4.38Å; V245-V350 HydrophobicContact CG1-CG1 4.06Å; V245-V350 HydrophobicContact CG2-CG1 4.25Å; V249-V350 HydrophobicContact CG2-CG1 4.4Å; V249-V350 HydrophobicContact CG2-CG2 3.9Å; I252-V350 HydrophobicContact CD1-CG2 3.54Å; A325-V350 HydrophobicContact CB-CB 3.9Å; A325-V350 HydrophobicContact CB-CG1 3.85Å; A325-V350 HydrophobicContact CB-CG2 4.39Å; F329-V350 HydrophobicContact CE2-CG2 3.59Å; F329-V350 HydrophobicContact CZ-CG2 3.72Å; L346-V350 PolarHBondContact O-N 3.36Å; S347-V350 PolarHBondContact O-N 3.19Å; V350-R352 PolarHBondContact O-N 3.17Å; V350-E353 CarbonylContact O-C 3.6Å; V350-E353 PolarHBondContact O-N 2.79Å; V350-S354 PolarHBondContact O-N 3.23Å; V350-S354 PolarHBondContact O-OG 3.46Å; V350-S354 VanDerWaalsContact O-OG 3.12Å |
| 351 | A | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -30.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T321 I322 S347 Q349 T355 | T321-A351 HydrophobicContact CG2-CB 3.84Å; I322-A351 HydrophobicContact CD1-CB 4.31Å; I322-A351 HydrophobicContact CG1-CB 3.6Å; S347-A351 WeakPolarHBondContact O-CB 3.41Å; S347-A351 PolarHBondContact O-N 3.06Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.32Å; A351-T355 PolarHBondContact O-N 3.1Å; A351-T355 PolarHBondContact O-OG1 2.86Å |
| 352 | R | 93.6 | Very high | 88 | Confident | 177 Ų | 177 | 60 Ų | 60 | 67% | 0.668 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -74.4 | -41.5 | 172.3 | -69.2 | 175.3 | 70.7 | -140.1 | -0.3 | 112.2 | R348 Q349 V350 T355 Y356 | R348-R352 WeakPolarHBondContact O-CG 3.42Å; R348-R352 PolarHBondContact O-N 3.13Å; Q349-R352 WeakPolarHBondContact O-CB 3.43Å; Q349-R352 PolarHBondContact O-N 3.34Å; V350-R352 PolarHBondContact O-N 3.17Å; R352-T355 PolarHBondContact O-N 2.96Å; R352-Y356 PolarHBondContact O-N 3.14Å; R352-Y356 VanDerWaalsContact O-N 3.09Å |
| 353 | E | 89.9 | Confident | 86 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.8 | -72.9 | -177.7 | -148.7 | 0 | 0 | 111.1 | R251 Q349 V350 T355 Y356 L357 | R251-E353 IonicContact NH1-OE2 3.32Å; R251-E353 PolarHBondContact NH1-OE2 3.41Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.48Å; Q349-E353 PolarHBondContact NE2-OE1 3.13Å; Q349-E353 PolarHBondContact O-N 3.08Å; V350-E353 CarbonylContact O-C 3.6Å; V350-E353 PolarHBondContact O-N 2.79Å; E353-T355 PolarHBondContact O-N 3.46Å; E353-Y356 PolarHBondContact O-N 3.33Å; E353-L357 WeakPolarHBondContact O-CB 3.4Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.42Å |
| 354 | S | 88.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 175.1 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | V350 Y356 L357 S358 | V350-S354 PolarHBondContact O-N 3.23Å; V350-S354 PolarHBondContact O-OG 3.46Å; V350-S354 VanDerWaalsContact O-OG 3.12Å; S354-Y356 VanDerWaalsContact C-N 3.35Å; S354-Y356 PolarHBondContact O-N 2.84Å; S354-L357 PolarHBondContact O-N 3.29Å; S354-S358 WeakPolarHBondContact O-CB 3.48Å; S354-S358 PolarHBondContact O-N 2.82Å; S354-S358 PolarHBondContact O-OG 3.12Å; S354-S358 VanDerWaalsContact O-OG 3.13Å |
| 355 | T | 87.1 | Confident | 81.2 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.3 | -44 | 176.8 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | A351 R352 E353 S359 | A351-T355 PolarHBondContact O-N 3.1Å; A351-T355 PolarHBondContact O-OG1 2.86Å; R352-T355 PolarHBondContact O-N 2.96Å; E353-T355 PolarHBondContact O-N 3.46Å; T355-S359 PolarHBondContact O-N 2.88Å; T355-S359 VanDerWaalsContact O-N 3.12Å |
| 356 | Y | 86.5 | Confident | 78.2 | Confident | 156 Ų | 156 | 77.2 Ų | 77.2 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 178.5 | 178.9 | -100.8 | 0 | 0 | 0 | 112.2 | R352 E353 S354 S359 L360 | R352-Y356 PolarHBondContact O-N 3.14Å; R352-Y356 VanDerWaalsContact O-N 3.09Å; E353-Y356 PolarHBondContact O-N 3.33Å; S354-Y356 VanDerWaalsContact C-N 3.35Å; S354-Y356 PolarHBondContact O-N 2.84Å; Y356-S359 PolarHBondContact O-N 3.37Å; Y356-L360 HydrophobicContact CE1-CD2 4.37Å; Y356-L360 WeakPolarHBondContact O-CB 3.36Å; Y356-L360 PolarHBondContact O-N 2.93Å |
| 357 | L | 81.8 | Confident | 75.3 | Confident | 44 Ų | 44 | 82.8 Ų | 82.8 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.3 | -35.7 | -179.1 | -67.1 | 170.8 | 0 | 0 | 0 | 112.4 | M244 E353 S354 L360 K361 | M244-L357 HydrophobicContact CE-CB 3.38Å; M244-L357 HydrophobicContact CE-CD1 3.69Å; M244-L357 HydrophobicContact CE-CG 4.14Å; E353-L357 WeakPolarHBondContact O-CB 3.4Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.42Å; S354-L357 PolarHBondContact O-N 3.29Å; L357-L360 PolarHBondContact O-N 3.13Å; L357-K361 WeakPolarHBondContact O-CB 3.36Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 3.09Å |
| 358 | S | 81.1 | Confident | 72.7 | Confident | 47 Ų | 47 | 90.8 Ų | 90.8 | 33% | 0.329 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 171.8 | -69 | 0 | 0 | 0 | 0 | 111.9 | M241 S354 K361 G362 | M241-S358 WeakPolarHBondContact CE-OG 3.44Å; S354-S358 WeakPolarHBondContact O-CB 3.48Å; S354-S358 PolarHBondContact O-N 2.82Å; S354-S358 PolarHBondContact O-OG 3.12Å; S354-S358 VanDerWaalsContact O-OG 3.13Å; S358-K361 PolarHBondContact O-N 2.87Å; S358-G362 PolarHBondContact O-N 3.05Å |
| 359 | S | 80.8 | Confident | 70.2 | Confident | 87 Ų | 87 | 93.7 Ų | 93.7 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 173 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | T355 Y356 G362 S363 | T355-S359 PolarHBondContact O-N 2.88Å; T355-S359 VanDerWaalsContact O-N 3.12Å; Y356-S359 PolarHBondContact O-N 3.37Å; S359-G362 PolarHBondContact O-N 3.38Å; S359-S363 PolarHBondContact O-N 2.9Å |
| 360 | L | 77.1 | Confident | 67.5 | Low | 64 Ų | 64 | 98 Ų | 98 | 34% | 0.335 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -32.8 | 178.7 | -168.8 | 67.6 | 0 | 0 | 0 | 113.2 | Y356 L357 | Y356-L360 HydrophobicContact CE1-CD2 4.37Å; Y356-L360 WeakPolarHBondContact O-CB 3.36Å; Y356-L360 PolarHBondContact O-N 2.93Å; L357-L360 PolarHBondContact O-N 3.13Å |
| 361 | K | 67.9 | Low | 65.2 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.1 | -45.3 | 171.2 | -82.3 | -177.4 | 161.2 | -168.7 | 0 | 111.3 | E240 M244 L357 S358 S363 R364 | E240-K361 IonicContact OE1-NZ 3.15Å; E240-K361 PolarHBondContact OE1-NZ 3.24Å; M244-K361 HydrophobicContact CE-CD 4.48Å; M244-K361 HydrophobicContact SD-CD 4.2Å; M244-K361 PolarHBondContact SD-NZ 3.09Å; L357-K361 WeakPolarHBondContact O-CB 3.36Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 3.09Å; S358-K361 PolarHBondContact O-N 2.87Å; K361-S363 PolarHBondContact O-N 3.47Å; K361-R364 PolarHBondContact O-N 2.96Å |
| 362 | G | 57.3 | Low | 62.3 | Low | 52 Ų | 52 | 105.5 Ų | 105.5 | 54% | 0.536 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.2 | -29.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S358 S359 R364 | S358-G362 PolarHBondContact O-N 3.05Å; S359-G362 PolarHBondContact O-N 3.38Å; G362-R364 VanDerWaalsContact C-N 3.29Å; G362-R364 PolarHBondContact O-N 3.4Å |
| 363 | S | 51.4 | Low | 59.6 | Low | 100 Ų | 100 | 102.8 Ų | 102.8 | 70% | 0.699 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -8.6 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 115 | S359 K361 | S359-S363 PolarHBondContact O-N 2.9Å; K361-S363 PolarHBondContact O-N 3.47Å |
| 364 | R | 47.3 | Very low | 57.2 | Low | 192 Ų | 192 | 106.4 Ų | 106.4 | 73% | 0.725 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -4.6 | -179.5 | -64.4 | -172.9 | -155.3 | -122.9 | 7 | 114 | K361 G362 | K361-R364 PolarHBondContact O-N 2.96Å; G362-R364 VanDerWaalsContact C-N 3.29Å; G362-R364 PolarHBondContact O-N 3.4Å |
| 365 | L | 44.4 | Very low | 54.9 | Low | 137 Ų | 137 | 114.3 Ų | 114.3 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -117.4 | 118.1 | -179.7 | -60.4 | 177.8 | 0 | 0 | 0 | 108.7 | ||
| 366 | H | 32.4 | Very low | 52.4 | Low | 138 Ų | 138 | 119 Ų | 119 | 64% | 0.639 | 67% | 0.667 | S | S | * | * | trans | 82.9 | 101.7 | 168.8 | -152.3 | -81.6 | 0 | 0 | 0 | 117.9 | E368 E369 | H366-E368 PolarHBondContact CD2-O 3.13Å; H366-E368 VanDerWaalsContact CD2-O 3.26Å; H366-E368 PolarHBondContact CE1-O 3.4Å; H366-E368 VanDerWaalsContact CE1-O 3.22Å; H366-E368 PolarHBondContact NE2-O 3.26Å; H366-E369 PolarHBondContact CE1-O 2.67Å; H366-E369 PolarHBondContact NE2-O 3.41Å | ||
| 367 | P | 35.8 | Very low | 50.1 | Low | 129 Ų | 129 | 121.6 Ų | 121.6 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | S | Bend | -133.4 | 63.2 | 119.5 | 40 | -31.3 | 0 | 0 | 0 | 113.2 | |||
| 368 | E | 42.9 | Very low | 47.8 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -138.4 | 135.1 | 160.4 | -86.9 | -160.4 | 105.5 | 0 | 0 | 108.3 | H366 | H366-E368 PolarHBondContact CD2-O 3.13Å; H366-E368 VanDerWaalsContact CD2-O 3.26Å; H366-E368 PolarHBondContact CE1-O 3.4Å; H366-E368 VanDerWaalsContact CE1-O 3.22Å; H366-E368 PolarHBondContact NE2-O 3.26Å |
| 369 | E | 42.8 | Very low | 45.5 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 80.6 | 76.2 | -170.5 | -59.4 | -127.2 | 92.8 | 0 | 0 | 117.3 | H366 | H366-E369 PolarHBondContact CE1-O 2.67Å; H366-E369 PolarHBondContact NE2-O 3.41Å |
| 370 | L | 38.3 | Very low | 43.1 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | -177.7 | 117.4 | 117.3 | -95.9 | 164.1 | 0 | 0 | 0 | 109.3 | G372 | L370-G372 PolarHBondContact O-N 3.5Š| |||
| 371 | G | 47.8 | Very low | 41 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 94% | 0.938 | 76% | 0.756 | S | S | * | * | trans | -68.2 | 124.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 372 | G | 34.4 | Very low | 39.1 | Very low | 66 Ų | 66 | 142.7 Ų | 142.7 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -151.9 | 145.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L370 | L370-G372 PolarHBondContact O-N 3.5Š| ||
| 373 | P | 37 | Very low | 37.7 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 152.3 | -159.7 | 29.6 | -36.3 | 0 | 0 | 0 | 114.5 | L375 | P373-L375 PolarHBondContact O-N 3.03Š| ||
| 374 | P | 38.2 | Very low | 36.7 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -74.8 | 122.2 | -174.1 | 29.6 | -34.9 | 0 | 0 | 0 | 112.9 | K376 | P374-K376 PolarHBondContact O-N 3.33Š| ||
| 375 | L | 39.7 | Very low | 35.9 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -79.3 | 89.7 | 172.5 | -77.1 | 174.9 | 0 | 0 | 0 | 112.1 | P373 | P373-L375 PolarHBondContact O-N 3.03Š| ||
| 376 | K | 35.9 | Very low | 35.1 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 38.6 | 98.8 | 143.4 | -59.6 | -179.4 | -178.4 | 178.7 | 0 | 117.2 | P374 | P374-K376 PolarHBondContact O-N 3.33Š| ||
| 377 | K | 38.2 | Very low | 35 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 141.3 | 162.5 | -68 | -177.8 | 176.6 | -179.7 | 0 | 110.9 | ||
| 378 | L | 33.8 | Very low | 35 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 131.3 | 169 | -166.8 | 70.4 | 0 | 0 | 0 | 110 | ||
| 379 | K | 32.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129 | -172.5 | -174.7 | 173 | 176.6 | -172.7 | 0 | 113.8 | E381 | K379-E381 WeakPolarHBondContact CE-OE1 3.36Å; K379-E381 WeakPolarHBondContact CE-OE2 3.31Å; K379-E381 IonicContact NZ-OE1 2.77Å; K379-E381 IonicContact NZ-OE2 3.75Å; K379-E381 PolarHBondContact NZ-OE2 2.96Å |
| 380 | Q | 30.3 | Very low | 33.7 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -133.6 | 111.6 | 155.2 | -173.8 | 166.8 | -0.8 | 0 | 0 | 109.3 | ||||
| 381 | E | 32.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 56% | 0.561 | 78% | 0.778 | S | S | * | * | trans | -66.2 | 161.7 | 170.9 | -36.4 | -78.8 | 61.1 | 0 | 0 | 109.6 | K379 | K379-E381 WeakPolarHBondContact CE-OE1 3.36Å; K379-E381 WeakPolarHBondContact CE-OE2 3.31Å; K379-E381 IonicContact NZ-OE1 2.77Å; K379-E381 IonicContact NZ-OE2 3.75Å; K379-E381 PolarHBondContact NZ-OE2 2.96Å | ||
| 382 | V | 28.9 | Very low | 32.6 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | cis | -163.9 | 152.2 | -12.2 | 126.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 383 | G | 27.9 | Very low | 32.6 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 176.9 | 68.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 384 | E | 30.1 | Very low | 33.1 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -49.1 | 155.5 | 159.7 | -70 | 171.6 | 83 | 0 | 0 | 111.9 | ||||
| 385 | Q | 29 | Very low | 33.8 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | cis | -164.4 | 165.8 | 3 | -107.5 | 174.4 | 66.7 | 0 | 0 | 105.3 | ||||
| 386 | S | 29 | Very low | 33.3 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -163.1 | -161.1 | -4.5 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 387 | H | 28.9 | Very low | 33.8 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -128.2 | 151.4 | 169 | -154.4 | -108.8 | 0 | 0 | 0 | 108.8 | ||||
| 388 | P | 35.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | -144 | -168.5 | 103.2 | 37 | -19.2 | 0 | 0 | 0 | 114.6 | |||||
| 389 | E | 27.6 | Very low | 33.2 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -117.9 | 176.9 | -149.9 | -169.3 | -174.6 | 89.9 | 0 | 0 | 114 | ||||
| 390 | I | 30.7 | Very low | 33 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | 87 | 113.6 | 159.4 | -48.6 | 178.3 | 0 | 0 | 0 | 118.3 | ||||
| 391 | Q | 27.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | 170.1 | 144 | 103.6 | -155.5 | 81.9 | 72.7 | 0 | 0 | 112.4 | |||||
| 392 | Q | 35.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -78.6 | 163.8 | 173.6 | -117.8 | -178.6 | 11.3 | 0 | 0 | 113.2 | ||||
| 393 | P | 35.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | -148.1 | 175.4 | 103.5 | 35.5 | -16.8 | 0 | 0 | 0 | 116.7 | |||||
| 394 | P | 47.4 | Very low | 35.2 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -117.7 | -144.8 | -168.8 | 35 | -12.9 | 0 | 0 | 0 | 113.9 | ||||
| 395 | P | 52.2 | Low | 35.4 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | -132 | 162.9 | -92.3 | 41.7 | -25.5 | 0 | 0 | 0 | 118.5 | |||||
| 396 | G | 29.4 | Very low | 36.2 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | 80.9 | -178.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 397 | P | 46.7 | Very low | 36 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | cis | -145.5 | -179.5 | -15.2 | 44.5 | -26.8 | 0 | 0 | 0 | 116.4 | ||||
| 398 | E | 30.7 | Very low | 36.2 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 71.3 | 152.1 | 157.9 | -56.5 | -156.6 | 126.2 | 0 | 0 | 119.6 | ||||
| 399 | S | 29.2 | Very low | 36.1 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | cis | -162.7 | 155.2 | 3.1 | -123.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 400 | Y | 29.2 | Very low | 36.4 | Very low | 233 Ų | 233 | 138.8 Ų | 138.8 | 91% | 0.914 | 75% | 0.754 | S | S | * | * | trans | 67.5 | 157.2 | 154 | -85.9 | -106.3 | 0 | 0 | 0 | 124.3 | ||||
| 401 | A | 31.9 | Very low | 36.6 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -140.4 | -159.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 402 | P | 53.2 | Low | 36.9 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -92.8 | -151.2 | -122.4 | 44.2 | -27.1 | 0 | 0 | 0 | 113.6 | |||||
| 403 | P | 53.3 | Low | 36.7 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | cis | -142.7 | -157.9 | 1.2 | 28.1 | 1.4 | 0 | 0 | 0 | 116.7 | ||||
| 404 | Y | 26.9 | Very low | 36.9 | Very low | 211 Ų | 211 | 133.2 Ų | 133.2 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 79.2 | 151.1 | 169.2 | -75 | -100.9 | 0 | 0 | 0 | 119 | ||||
| 405 | R | 34.4 | Very low | 36.4 | Very low | 215 Ų | 215 | 135 Ų | 135 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | cis | -170.8 | -161.7 | -30.1 | -127.7 | -94.9 | -175 | 151.6 | 0.8 | 109.2 | ||||
| 406 | P | 45.4 | Very low | 35.7 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | -98.1 | -157.9 | -126 | 45 | -27.4 | 0 | 0 | 0 | 117.6 | |||||
| 407 | S | 25.3 | Very low | 35.9 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 102.9 | 150 | 163.1 | -152.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 408 | L | 32.6 | Very low | 35.4 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | cis | -172.3 | 168 | -30 | -171.7 | 79 | 0 | 0 | 0 | 106.3 | ||||
| 409 | E | 32.6 | Very low | 35.6 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 70.7 | 156.3 | 164.2 | -51.7 | -169.3 | 165 | 0 | 0 | 117 | ||||
| 410 | E | 34.5 | Very low | 36 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | cis | 178.4 | 170.2 | -41.4 | -116.7 | -173.2 | 117.6 | 0 | 0 | 106.1 | ||||
| 411 | D | 35.5 | Very low | 36.4 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 150.7 | 159.2 | -139.9 | -65.4 | 0 | 0 | 0 | 121.2 | ||||
| 412 | S | 33.2 | Very low | 36.3 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 97.2 | 75.4 | 154.6 | -70.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 413 | A | 31.3 | Very low | 35.3 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 147.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 414 | S | 39.4 | Very low | 34.4 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 166.9 | 144.1 | 159.6 | -84.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 415 | L | 37.4 | Very low | 34.6 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -153.1 | 141.9 | -6.4 | -90.8 | 152.8 | 0 | 0 | 0 | 105.2 | ||||
| 416 | S | 36.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 43.9 | 130.9 | 96.4 | -46.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 417 | G | 34.7 | Very low | 33.7 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | cis | 142 | 140.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 418 | E | 35.3 | Very low | 33.9 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -167.4 | 128.7 | 165.9 | 49.5 | -162.6 | 127.1 | 0 | 0 | 109 | ||||
| 419 | S | 36.2 | Very low | 33.7 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | 68.4 | 138.2 | 71.9 | -116.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 420 | L | 36.5 | Very low | 33.5 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | cis | -155.3 | 170.2 | 12 | -165.1 | 137.3 | 0 | 0 | 0 | 112 | ||||
| 421 | D | 37.9 | Very low | 33.9 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -47.7 | 167.2 | -177.8 | -121.6 | -82.3 | 0 | 0 | 0 | 121.2 | ||||
| 422 | G | 30.1 | Very low | 33.6 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 175.4 | 39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 423 | H | 31.7 | Very low | 33.5 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 45.3 | 121.3 | 144.9 | -146.4 | 75 | 0 | 0 | 0 | 125.4 | ||||
| 424 | L | 35.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | 32.4 | 127.6 | 149.1 | -56.7 | -172.8 | 0 | 0 | 0 | 124.2 | ||||
| 425 | Q | 31.1 | Very low | 33.7 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | -169 | 168.3 | 111.7 | -109.3 | -179.3 | 72.3 | 0 | 0 | 113.8 | |||||
| 426 | A | 30 | Very low | 33.9 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | -119.7 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 427 | V | 30 | Very low | 34.1 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 99.7 | 117.8 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 428 | G | 29.4 | Very low | 34.2 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -92.7 | -177.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 429 | S | 28.7 | Very low | 34.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -168.7 | 141.9 | 146.4 | -82.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 430 | C | 28.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -73.1 | 156.5 | 163.9 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 431 | P | 41.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 133 Ų | 133 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | -136.9 | 169.6 | 108.6 | 34.2 | -21.3 | 0 | 0 | 0 | 114.8 | |||||
| 432 | R | 30.4 | Very low | 34.2 | Very low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | -94.3 | 139.7 | -172.9 | 175.9 | -155.7 | -178.2 | -156.7 | 2.4 | 110.1 | ||||
| 433 | L | 30.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | 157.7 | 132.2 | 126.4 | -83 | 170.3 | 0 | 0 | 0 | 114.9 | |||||
| 434 | T | 33.2 | Very low | 34.5 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | 72 | 147.3 | 155.6 | 30.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 435 | P | 41.9 | Very low | 34.6 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -108 | 163.8 | -165 | 41.8 | -34.8 | 0 | 0 | 0 | 115.4 | ||||
| 436 | P | 41.4 | Very low | 34.8 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 162.6 | 163.2 | 35.7 | -32.5 | 0 | 0 | 0 | 112.6 | ||
| 437 | P | 40.3 | Very low | 35.5 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 169.8 | -172.6 | 34.1 | -36.8 | 0 | 0 | 0 | 114.1 | ||
| 438 | A | 36.2 | Very low | 36.2 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 142.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 439 | D | 33.9 | Very low | 37.2 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -125.2 | 146.7 | 159.2 | -92.6 | -49.9 | 0 | 0 | 0 | 110.3 | ||||
| 440 | L | 40.1 | Very low | 38.4 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -78.4 | 157.6 | -170.6 | -71.2 | 153.1 | 0 | 0 | 0 | 113.1 | ||||
| 441 | P | 40.5 | Very low | 40.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -120.9 | 160.9 | 135.9 | 35.3 | -29.5 | 0 | 0 | 0 | 113.4 | ||||
| 442 | L | 31.7 | Very low | 41.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | trans | -61.7 | 150.5 | -166.4 | -76.5 | 72.2 | 0 | 0 | 0 | 114.8 | ||||
| 443 | A | 35.6 | Very low | 43.7 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -92.6 | 140.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 444 | L | 33.1 | Very low | 46 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | trans | -147.6 | 159.9 | 145.8 | -94.7 | 173.6 | 0 | 0 | 0 | 107.2 | ||||
| 445 | P | 37.3 | Very low | 48.3 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | -85.3 | 122.7 | -124.6 | 29.6 | -37.7 | 0 | 0 | 0 | 115.9 | |||||
| 446 | A | 36.6 | Very low | 50.1 | Low | 92 Ų | 92 | 127.1 Ų | 127.1 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -79.1 | 118.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G448 | A446-G448 PolarHBondContact O-N 2.92Š| ||
| 447 | H | 43.1 | Very low | 52 | Low | 197 Ų | 197 | 126.1 Ų | 126.1 | 91% | 0.912 | 70% | 0.702 | S | S | * | * | trans | -69.4 | 93.4 | 171.7 | -100.8 | -91.2 | 0 | 0 | 0 | 111.3 | ||||
| 448 | G | 44.8 | Very low | 54.1 | Low | 51 Ų | 51 | 123.4 Ų | 123.4 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | trans | 73.4 | 70 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A446 W450 | A446-G448 PolarHBondContact O-N 2.92Å; G448-W450 VanDerWaalsContact C-N 3.29Å; G448-W450 PolarHBondContact O-N 3.08Å | ||
| 449 | L | 50.9 | Low | 56.4 | Low | 174 Ų | 174 | 124.3 Ų | 124.3 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | trans | -68.3 | 89.5 | 153.5 | -72.6 | 173.5 | 0 | 0 | 0 | 109.5 | S451 | L449-S451 PolarHBondContact O-N 3.31Å; L449-S451 VanDerWaalsContact O-N 3.11Å | ||
| 450 | W | 54.8 | Low | 58.9 | Low | 171 Ų | 171 | 122 Ų | 122 | 65% | 0.648 | 66% | 0.659 | S | S | * | * | trans | -62.7 | 113.6 | 168 | -77.3 | 55.7 | 0 | 0 | 0 | 108 | G448 R452 I454 | G448-W450 VanDerWaalsContact C-N 3.29Å; G448-W450 PolarHBondContact O-N 3.08Å; W450-R452 PolarHBondContact O-N 2.91Å; W450-I454 HydrophobicContact CE3-CB 4.49Å; W450-I454 HydrophobicContact CE3-CG2 3.58Å; W450-I454 HydrophobicContact CZ3-CG2 3.87Å | ||
| 451 | S | 71.3 | Confident | 61.2 | Low | 63 Ų | 63 | 118.1 Ų | 118.1 | 44% | 0.441 | 64% | 0.64 | S | S | . | * | trans | -51.5 | 138.2 | 178.6 | 175.3 | 0 | 0 | 0 | 0 | 110 | L449 H453 I454 L455 | L449-S451 PolarHBondContact O-N 3.31Å; L449-S451 VanDerWaalsContact O-N 3.11Å; S451-H453 PolarHBondContact O-N 3.23Å; S451-I454 WeakPolarHBondContact O-CA 3.27Å; S451-I454 WeakPolarHBondContact O-CB 3.36Å; S451-I454 PolarHBondContact O-N 3.45Å; S451-L455 PolarHBondContact O-N 3.43Å; S451-L455 VanDerWaalsContact O-N 3.15Å | ||
| 452 | R | 73.1 | Confident | 63.4 | Low | 175 Ų | 175 | 116.1 Ų | 116.1 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -48.5 | -34.8 | -178 | -174.3 | -170.7 | 173.3 | -68.1 | -2.9 | 112.5 | W450 Q456 | W450-R452 PolarHBondContact O-N 2.91Å; R452-Q456 VanDerWaalsContact O-CB 3.27Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.46Å |
| 453 | H | 66.3 | Low | 66.2 | Low | 139 Ų | 139 | 109.5 Ų | 109.5 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68 | -41.1 | 175.4 | -78.1 | 94.1 | 0 | 0 | 0 | 113.5 | S451 Q456 Q457 | S451-H453 PolarHBondContact O-N 3.23Å; H453-Q456 PolarHBondContact O-N 2.91Å; H453-Q457 WeakPolarHBondContact O-CB 3.48Å; H453-Q457 PolarHBondContact O-N 3.01Å |
| 454 | I | 81.1 | Confident | 68.8 | Low | 87 Ų | 87 | 108.9 Ų | 108.9 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -48 | 178.1 | -58.5 | 172.2 | 0 | 0 | 0 | 109.2 | W450 S451 Q456 Q457 T458 | W450-I454 HydrophobicContact CE3-CB 4.49Å; W450-I454 HydrophobicContact CE3-CG2 3.58Å; W450-I454 HydrophobicContact CZ3-CG2 3.87Å; S451-I454 WeakPolarHBondContact O-CA 3.27Å; S451-I454 WeakPolarHBondContact O-CB 3.36Å; S451-I454 PolarHBondContact O-N 3.45Å; I454-Q456 VanDerWaalsContact C-N 3.33Å; I454-Q456 PolarHBondContact O-N 3.48Å; I454-Q457 PolarHBondContact O-N 3.43Å; I454-T458 PolarHBondContact O-N 3.04Å; I454-T458 PolarHBondContact O-OG1 2.93Å |
| 455 | L | 80.6 | Confident | 71.3 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -40.9 | 177.5 | -175.6 | 63 | 0 | 0 | 0 | 112.1 | S451 L459 | S451-L455 PolarHBondContact O-N 3.43Å; S451-L455 VanDerWaalsContact O-N 3.15Å; L455-L459 HydrophobicContact CD1-CD1 4.44Å; L455-L459 HydrophobicContact CG-CD1 4.18Å; L455-L459 WeakPolarHBondContact O-CB 3.46Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.45Å; L455-L459 PolarHBondContact O-N 3.41Å |
| 456 | Q | 79.8 | Confident | 73.5 | Confident | 89 Ų | 89 | 106.5 Ų | 106.5 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 176 | -173.2 | 171.7 | -22 | 0 | 0 | 111.9 | R452 H453 I454 L459 M460 | R452-Q456 VanDerWaalsContact O-CB 3.27Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.46Å; H453-Q456 PolarHBondContact O-N 2.91Å; I454-Q456 VanDerWaalsContact C-N 3.33Å; I454-Q456 PolarHBondContact O-N 3.48Å; Q456-L459 PolarHBondContact O-N 3.46Å; Q456-M460 HydrophobicContact CG-SD 4.47Å; Q456-M460 WeakPolarHBondContact O-CG 3.43Å; Q456-M460 PolarHBondContact O-N 3.21Å |
| 457 | Q | 82.3 | Confident | 75.4 | Confident | 97 Ų | 97 | 104.4 Ų | 104.4 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 175.5 | -170.8 | 64.8 | 47.8 | 0 | 0 | 111.7 | H453 I454 L459 M460 D461 | H453-Q457 WeakPolarHBondContact O-CB 3.48Å; H453-Q457 PolarHBondContact O-N 3.01Å; I454-Q457 PolarHBondContact O-N 3.43Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.15Å; Q457-M460 PolarHBondContact O-N 2.97Å; Q457-M460 VanDerWaalsContact O-N 3.08Å; Q457-D461 PolarHBondContact NE2-OD1 3.39Å; Q457-D461 PolarHBondContact O-N 3.01Å |
| 458 | T | 84.3 | Confident | 77.2 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | I454 E462 | I454-T458 PolarHBondContact O-N 3.04Å; I454-T458 PolarHBondContact O-OG1 2.93Å; T458-E462 WeakPolarHBondContact O-CB 3.18Å; T458-E462 PolarHBondContact O-N 3.4Å |
| 459 | L | 83.6 | Confident | 78.5 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.9 | -35.2 | 175.2 | -72.5 | 169.9 | 0 | 0 | 0 | 112.9 | L455 Q456 Q457 G463 | L455-L459 HydrophobicContact CD1-CD1 4.44Å; L455-L459 HydrophobicContact CG-CD1 4.18Å; L455-L459 WeakPolarHBondContact O-CB 3.46Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.45Å; L455-L459 PolarHBondContact O-N 3.41Å; Q456-L459 PolarHBondContact O-N 3.46Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.15Å; L459-G463 PolarHBondContact O-N 2.88Å |
| 460 | M | 86.9 | Confident | 79.4 | Confident | 113 Ų | 113 | 102 Ų | 102 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.3 | -45.8 | 175.1 | -76.7 | 178.4 | 58.2 | 0 | 0 | 112.1 | Q456 Q457 G463 L464 | Q456-M460 HydrophobicContact CG-SD 4.47Å; Q456-M460 WeakPolarHBondContact O-CG 3.43Å; Q456-M460 PolarHBondContact O-N 3.21Å; Q457-M460 PolarHBondContact O-N 2.97Å; Q457-M460 VanDerWaalsContact O-N 3.08Å; M460-G463 PolarHBondContact O-N 2.72Å; M460-L464 WeakPolarHBondContact O-CB 3.26Å; M460-L464 PolarHBondContact O-N 2.79Å |
| 461 | D | 87.4 | Confident | 79.6 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 179.7 | -68.6 | -8.3 | 0 | 0 | 0 | 111.2 | Q457 L464 R465 | Q457-D461 PolarHBondContact NE2-OD1 3.39Å; Q457-D461 PolarHBondContact O-N 3.01Å; D461-L464 PolarHBondContact O-N 3.11Å; D461-R465 WeakPolarHBondContact O-CB 3.5Å; D461-R465 PolarHBondContact O-N 2.93Å |
| 462 | E | 87.7 | Confident | 78.9 | Confident | 73 Ų | 73 | 101.8 Ų | 101.8 | 34% | 0.341 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.9 | -174.3 | 62.6 | -172.8 | 0 | 0 | 111.7 | T458 L464 R465 L466 | T458-E462 WeakPolarHBondContact O-CB 3.18Å; T458-E462 PolarHBondContact O-N 3.4Å; E462-L464 VanDerWaalsContact C-N 3.33Å; E462-L464 PolarHBondContact O-N 2.96Å; E462-R465 WeakPolarHBondContact O-CB 3.3Å; E462-R465 PolarHBondContact O-N 3.22Å; E462-R465 IonicContact OE1-CZ 3.71Å; E462-R465 IonicContact OE1-NE 2.76Å; E462-R465 IonicContact OE1-NH2 2.68Å; E462-R465 PolarHBondContact OE1-NH2 3.26Å; E462-R465 IonicContact OE2-CZ 3.5Å; E462-R465 IonicContact OE2-NE 3.51Å; E462-R465 PolarHBondContact OE2-NE 3.34Å; E462-R465 IonicContact OE2-NH2 2.82Å; E462-R465 PolarHBondContact OE2-NH2 2.97Å; E462-L466 HydrophobicContact CG-CD1 4.27Å; E462-L466 WeakPolarHBondContact O-CB 3.34Å; E462-L466 VanDerWaalsContact O-CG 3.3Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 2.91Å |
| 463 | G | 90.6 | Very high | 77.7 | Confident | 38 Ų | 38 | 100.4 Ų | 100.4 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L459 M460 A467 | L459-G463 PolarHBondContact O-N 2.88Å; M460-G463 PolarHBondContact O-N 2.72Å; G463-A467 WeakPolarHBondContact O-CB 3.39Å; G463-A467 PolarHBondContact O-N 3.32Å |
| 464 | L | 88.9 | Confident | 76.9 | Confident | 86 Ų | 86 | 103 Ų | 103 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 176 | -171.1 | 62.9 | 0 | 0 | 0 | 112.2 | M460 D461 E462 A467 R468 | M460-L464 WeakPolarHBondContact O-CB 3.26Å; M460-L464 PolarHBondContact O-N 2.79Å; D461-L464 PolarHBondContact O-N 3.11Å; E462-L464 VanDerWaalsContact C-N 3.33Å; E462-L464 PolarHBondContact O-N 2.96Å; L464-A467 PolarHBondContact O-N 2.85Å; L464-R468 WeakPolarHBondContact O-CG 3.45Å; L464-R468 PolarHBondContact O-N 2.69Å |
| 465 | R | 86 | Confident | 75.3 | Confident | 144 Ų | 144 | 104.8 Ų | 104.8 | 54% | 0.543 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 173.8 | -167.3 | 178.5 | 77.6 | 99.6 | 0.1 | 111.3 | D461 E462 R468 L469 | D461-R465 WeakPolarHBondContact O-CB 3.5Å; D461-R465 PolarHBondContact O-N 2.93Å; E462-R465 WeakPolarHBondContact O-CB 3.3Å; E462-R465 PolarHBondContact O-N 3.22Å; E462-R465 IonicContact OE1-CZ 3.71Å; E462-R465 IonicContact OE1-NE 2.76Å; E462-R465 IonicContact OE1-NH2 2.68Å; E462-R465 PolarHBondContact OE1-NH2 3.26Å; E462-R465 IonicContact OE2-CZ 3.5Å; E462-R465 IonicContact OE2-NE 3.51Å; E462-R465 PolarHBondContact OE2-NE 3.34Å; E462-R465 IonicContact OE2-NH2 2.82Å; E462-R465 PolarHBondContact OE2-NH2 2.97Å; R465-R468 PolarHBondContact O-N 2.85Å; R465-L469 PolarHBondContact O-N 3.27Å |
| 466 | L | 83.4 | Confident | 73.7 | Confident | 83 Ų | 83 | 103.9 Ų | 103.9 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.9 | -68.9 | 170.1 | 0 | 0 | 0 | 111.9 | E462 R468 L469 V470 | E462-L466 HydrophobicContact CG-CD1 4.27Å; E462-L466 WeakPolarHBondContact O-CB 3.34Å; E462-L466 VanDerWaalsContact O-CG 3.3Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 2.91Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-R468 PolarHBondContact O-N 3.09Å; L466-L469 PolarHBondContact O-N 2.98Å; L466-V470 WeakPolarHBondContact O-CG2 2.81Å; L466-V470 PolarHBondContact O-N 3.22Å |
| 467 | A | 76.9 | Confident | 72.3 | Confident | 48 Ų | 48 | 110.4 Ų | 110.4 | 40% | 0.397 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.4 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G463 L464 S471 | G463-A467 WeakPolarHBondContact O-CB 3.39Å; G463-A467 PolarHBondContact O-N 3.32Å; L464-A467 PolarHBondContact O-N 2.85Å; A467-S471 VanDerWaalsContact O-CB 3.31Å; A467-S471 WeakPolarHBondContact O-CB 2.83Å; A467-S471 PolarHBondContact O-N 2.86Å; A467-S471 PolarHBondContact O-OG 3Å |
| 468 | R | 80.9 | Confident | 70.2 | Confident | 166 Ų | 166 | 113.5 Ų | 113.5 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.9 | -43.5 | 172.8 | -73.1 | 169.5 | 178.2 | 160.4 | 0.1 | 112 | L464 R465 L466 S471 H472 | L464-R468 WeakPolarHBondContact O-CG 3.45Å; L464-R468 PolarHBondContact O-N 2.69Å; R465-R468 PolarHBondContact O-N 2.85Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-R468 PolarHBondContact O-N 3.09Å; R468-S471 PolarHBondContact O-N 3Å; R468-H472 PolarHBondContact O-N 3.41Å |
| 469 | L | 71.1 | Confident | 67.9 | Low | 120 Ų | 120 | 115.7 Ų | 115.7 | 63% | 0.628 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.2 | -45.3 | 177.5 | -156.2 | 73.3 | 0 | 0 | 0 | 111.9 | R465 L466 S471 H472 D473 | R465-L469 PolarHBondContact O-N 3.27Å; L466-L469 PolarHBondContact O-N 2.98Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.86Å; L469-H472 PolarHBondContact O-N 3.36Å; L469-D473 PolarHBondContact O-N 3.06Å |
| 470 | V | 69.8 | Low | 65.9 | Low | 87 Ų | 87 | 116.1 Ų | 116.1 | 53% | 0.527 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.8 | -24.9 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 112.7 | L466 | L466-V470 WeakPolarHBondContact O-CG2 2.81Å; L466-V470 PolarHBondContact O-N 3.22Å |
| 471 | S | 60.5 | Low | 63.2 | Low | 71 Ų | 71 | 117 Ų | 117 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.8 | -35.8 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | A467 R468 L469 D473 R474 | A467-S471 VanDerWaalsContact O-CB 3.31Å; A467-S471 WeakPolarHBondContact O-CB 2.83Å; A467-S471 PolarHBondContact O-N 2.86Å; A467-S471 PolarHBondContact O-OG 3Å; R468-S471 PolarHBondContact O-N 3Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.86Å; S471-D473 VanDerWaalsContact C-N 3.29Å; S471-D473 PolarHBondContact O-N 2.84Å; S471-R474 PolarHBondContact O-N 3.21Å; S471-R474 VanDerWaalsContact O-N 3.13Å |
| 472 | H | 55.5 | Low | 60.9 | Low | 158 Ų | 158 | 119.3 Ų | 119.3 | 73% | 0.731 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.9 | -33.3 | 177.3 | -132.1 | -76.2 | 0 | 0 | 0 | 112.5 | R468 L469 R474 V475 | R468-H472 PolarHBondContact O-N 3.41Å; L469-H472 PolarHBondContact O-N 3.36Å; H472-R474 PolarHBondContact O-N 3.41Å; H472-V475 PolarHBondContact O-N 2.82Å |
| 473 | D | 48.1 | Very low | 58.8 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -18.1 | 175.5 | -147.4 | -111.4 | 0 | 0 | 0 | 113.2 | L469 S471 | L469-D473 PolarHBondContact O-N 3.06Å; S471-D473 VanDerWaalsContact C-N 3.29Å; S471-D473 PolarHBondContact O-N 2.84Å |
| 474 | R | 50.3 | Low | 56 | Low | 195 Ų | 195 | 124.1 Ų | 124.1 | 74% | 0.736 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -11.7 | -179.3 | -67.7 | 179.4 | -179 | -106.6 | -1 | 114.6 | S471 H472 G476 | S471-R474 PolarHBondContact O-N 3.21Å; S471-R474 VanDerWaalsContact O-N 3.13Å; H472-R474 PolarHBondContact O-N 3.41Å; R474-G476 VanDerWaalsContact C-N 3.32Å |
| 475 | V | 47.6 | Very low | 53.1 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7.3 | -179.4 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | H472 | H472-V475 PolarHBondContact O-N 2.82Š|
| 476 | G | 46.8 | Very low | 50.9 | Low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -6.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | R474 | R474-G476 VanDerWaalsContact C-N 3.32Š|
| 477 | R | 50.4 | Low | 49.7 | Very low | 227 Ų | 227 | 129.8 Ų | 129.8 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -154.4 | 52 | -169.9 | -147.5 | -173.3 | -150.6 | -84.9 | 0.9 | 117.7 | ||
| 478 | L | 37.3 | Very low | 47.4 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -139.3 | 92.8 | 162.8 | -72.9 | 178.5 | 0 | 0 | 0 | 112 | ||||
| 479 | S | 36.7 | Very low | 45.2 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 136.8 | 159 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 480 | P | 41.1 | Very low | 43.3 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 124.7 | 179.8 | -11 | 27.6 | 0 | 0 | 0 | 112 | ||
| 481 | C | 31.1 | Very low | 41.4 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 125.1 | 164.6 | -65.6 | 0 | 0 | 0 | 0 | 110 | ||
| 482 | V | 38.5 | Very low | 40.2 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 145 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 483 | P | 42.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 145.1 | -170 | 35.1 | -35.1 | 0 | 0 | 0 | 116.8 | ||
| 484 | A | 32.1 | Very low | 38.3 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | 68.7 | 122.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 485 | K | 29.3 | Very low | 37.4 | Very low | 205 Ų | 205 | 137 Ų | 137 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -164.6 | 139.9 | 130.6 | -142.7 | 175.2 | -176.4 | 177.8 | 0 | 113.6 | ||||
| 486 | P | 39.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | trans | -119 | -170.3 | 162 | 41.6 | -30.1 | 0 | 0 | 0 | 111.3 | ||||
| 487 | P | 57.7 | Low | 36 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | -126.4 | 170.2 | -70 | 39.4 | -25.1 | 0 | 0 | 0 | 113.5 | |||||
| 488 | L | 28.3 | Very low | 35.1 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -148.2 | 122.9 | 163.5 | -90.9 | 169.2 | 0 | 0 | 0 | 107.2 | ||||
| 489 | A | 34 | Very low | 35.2 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | 67.4 | 134.1 | 96.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 490 | E | 32.1 | Very low | 35.5 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -165.9 | -172.6 | 3.5 | -118.1 | 175 | 155 | 0 | 0 | 110 | ||||
| 491 | F | 30.1 | Very low | 35.2 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | 74.6 | 110.1 | 177.2 | -84.4 | -105.4 | 0 | 0 | 0 | 117.4 | ||||
| 492 | E | 34.9 | Very low | 36.3 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | 76.8 | 141 | 82.6 | -72 | -147.8 | 116 | 0 | 0 | 113.1 | |||||
| 493 | E | 31.4 | Very low | 35.9 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | cis | -156.5 | 147.5 | 19.7 | -159.3 | -175.8 | 151.6 | 0 | 0 | 111.9 | ||||
| 494 | G | 31.3 | Very low | 36 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 69.1 | 163.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 495 | L | 32.5 | Very low | 36.1 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -167.9 | 125.5 | -16.4 | 177.1 | 64.1 | 0 | 0 | 0 | 109.8 | ||||
| 496 | L | 33.8 | Very low | 37 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 59.7 | 172.2 | 166.1 | -60.9 | 165.8 | 0 | 0 | 0 | 118.8 | ||||
| 497 | D | 31.4 | Very low | 36.8 | Very low | 129 Ų | 129 | 134 Ų | 134 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | -159.1 | 126.1 | -56.7 | -172.3 | 36 | 0 | 0 | 0 | 108.1 | |||||
| 498 | R | 32.2 | Very low | 35.5 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 36.9 | 127 | 144.1 | -156.4 | 179.6 | -160.7 | -179.8 | 4.8 | 121.9 | ||||
| 499 | C | 37.6 | Very low | 35.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -57.8 | 158.7 | 162.8 | -43 | 0 | 0 | 0 | 0 | 113 | ||||
| 500 | P | 43.4 | Very low | 36 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -151.5 | 179.4 | 98 | 38.2 | -20 | 0 | 0 | 0 | 116.1 | |||||
| 501 | A | 34.4 | Very low | 36 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -108.7 | -170.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 502 | P | 54.7 | Low | 36.2 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | cis | -134.4 | 178.2 | -20.8 | 37.4 | -19.3 | 0 | 0 | 0 | 115.5 | ||||
| 503 | G | 29.9 | Very low | 36.3 | Very low | 75 Ų | 75 | 143.1 Ų | 143.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 103 | 170.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 504 | P | 45.3 | Very low | 36.4 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | cis | -127.9 | -171.6 | -10.5 | 41.2 | -23.8 | 0 | 0 | 0 | 114.9 | ||||
| 505 | H | 34.7 | Very low | 36.7 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | -68 | 161.9 | 170.8 | -95 | -67 | 0 | 0 | 0 | 113.3 | ||||
| 506 | P | 48.1 | Very low | 36.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | -157.8 | 178.3 | 59 | 44.1 | -22.1 | 0 | 0 | 0 | 121.1 | |||||
| 507 | A | 34.2 | Very low | 36.9 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | 82.2 | 116.2 | 143.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 508 | L | 32.2 | Very low | 37.1 | Very low | 171 Ų | 171 | 143 Ų | 143 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | 88.5 | 154.9 | 128.5 | -81.7 | 168.2 | 0 | 0 | 0 | 124.6 | |||||
| 509 | V | 35.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | trans | 90.3 | 81.2 | 172.6 | -164.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 510 | E | 35 | Very low | 37.3 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | 44.4 | 125.9 | 112.1 | -148.1 | 161.9 | -142.6 | 0 | 0 | 121.1 | |||||
| 511 | G | 32.1 | Very low | 37.3 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -172.4 | 39.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 512 | R | 34.4 | Very low | 37.9 | Very low | 248 Ų | 248 | 144 Ų | 144 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | trans | 46.4 | 130.7 | 155.3 | -151.3 | 174.9 | -170.5 | -169.8 | 2.8 | 121.9 | ||||
| 513 | R | 38.7 | Very low | 37.8 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 150.5 | 174 | -56.7 | 172.2 | 173.7 | -156.4 | -2.3 | 113.9 | ||||
| 514 | S | 33.5 | Very low | 38.9 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -159.3 | 119.6 | 133.2 | 55 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 515 | S | 35.9 | Very low | 38.8 | Very low | 123 Ų | 123 | 154.9 Ų | 154.9 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -131.8 | 119.7 | 165 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 516 | V | 35.1 | Very low | 39 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -84.7 | 124.1 | -177.9 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 517 | K | 37.1 | Very low | 38.5 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -108.8 | 133.5 | 169.4 | -172.2 | 177.8 | 175.8 | -173.5 | 0 | 109.5 | ||||
| 518 | V | 34.5 | Very low | 38.8 | Very low | 104 Ų | 104 | 159.5 Ų | 159.5 | 63% | 0.63 | 85% | 0.847 | S | S | * | * | trans | -85.5 | 160.3 | -179.3 | 162.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 519 | E | 35.9 | Very low | 39.2 | Very low | 183 Ų | 183 | 158.8 Ų | 158.8 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | trans | 67.9 | 122 | 168 | -83.7 | 168.3 | 112.1 | 0 | 0 | 119.4 | ||||
| 520 | A | 38.4 | Very low | 39.4 | Very low | 100 Ų | 100 | 161.1 Ų | 161.1 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | -158.6 | 126.3 | 88.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 521 | E | 43.4 | Very low | 39.7 | Very low | 191 Ų | 191 | 158.9 Ų | 158.9 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | trans | -84.6 | 125.6 | 169.3 | -174.8 | 179.4 | 129 | 0 | 0 | 109.1 | ||||
| 522 | A | 47.4 | Very low | 40.2 | Very low | 99 Ų | 99 | 165 Ų | 165 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | trans | -138.1 | 100.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 523 | S | 52.9 | Low | 40.6 | Very low | 100 Ų | 100 | 158.6 Ų | 158.6 | 70% | 0.699 | 85% | 0.847 | S | S | * | * | trans | -80.6 | 129.1 | 177.5 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 524 | R | 51.7 | Low | 40.8 | Very low | 209 Ų | 209 | 151.8 Ų | 151.8 | 79% | 0.789 | 84% | 0.842 | S | S | * | * | 155.8 | 136 | 126.1 | -85.5 | 164 | -177.4 | -98.9 | -3.1 | 114.4 | |||||
| 525 | Q | 43.9 | Very low | 41.5 | Very low | 258 Ų | 258 | 154.5 Ų | 154.5 | 100% | 1.206 | 84% | 0.841 | S | S | * | * | trans | 69.1 | 0 | 153.7 | -68.9 | 178 | -41.1 | 0 | 0 | 118.2 |
Retrieved 525 of 525 residues in 81.7 ms
(Link to these results)