| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 38.8 | Very low | 231 Ų | 231 | 174.7 Ų | 174.7 | 100% | 1.138 | 87% | 0.865 | S | S | * | * | 0 | 97.1 | 0 | -63.5 | 176.3 | 72.3 | 0 | 0 | 106.9 | |||||
| 2 | L | 35.4 | Very low | 38.7 | Very low | 164 Ų | 164 | 169.8 Ų | 169.8 | 86% | 0.859 | 86% | 0.86 | S | S | * | * | 47.8 | 114.7 | 105.6 | -68.4 | 162.3 | 0 | 0 | 0 | 111.4 | |||||
| 3 | S | 37.1 | Very low | 38.6 | Very low | 126 Ų | 126 | 171.2 Ų | 171.2 | 88% | 0.881 | 86% | 0.857 | S | S | * | * | -161.7 | 138.9 | 81 | -73.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 4 | R | 45.4 | Very low | 38.5 | Very low | 216 Ų | 216 | 168.1 Ų | 168.1 | 82% | 0.815 | 86% | 0.855 | S | S | * | * | trans | -92.9 | 144.1 | 169.8 | -177.3 | -172.3 | -158.6 | -179.9 | 7.1 | 109 | ||||
| 5 | K | 46.5 | Very low | 38.4 | Very low | 202 Ų | 202 | 163.1 Ų | 163.1 | 88% | 0.878 | 85% | 0.849 | S | S | * | * | trans | -174.2 | 107.6 | 149.6 | -101.3 | 170.6 | -174.9 | -173.6 | 0 | 107.2 | ||||
| 6 | K | 41.5 | Very low | 38.1 | Very low | 173 Ų | 173 | 163.4 Ų | 163.4 | 75% | 0.752 | 85% | 0.845 | S | S | * | * | 38.7 | 130.7 | 84.2 | -80.8 | -158 | 171.1 | -176.8 | 0 | 112.1 | |||||
| 7 | T | 40.7 | Very low | 38.1 | Very low | 125 Ų | 125 | 161.9 Ų | 161.9 | 77% | 0.767 | 84% | 0.844 | S | S | * | * | cis | 179.3 | 152.6 | 15.6 | 24.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 8 | K | 34.1 | Very low | 37.8 | Very low | 205 Ų | 205 | 161.1 Ų | 161.1 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | -179.7 | 136.3 | 124.2 | -163.6 | 164.3 | 178.5 | -178.2 | 0 | 111.8 | |||||
| 9 | N | 34.3 | Very low | 37.8 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -48.8 | 140.7 | 174.4 | -74.2 | -23.7 | 0 | 0 | 0 | 114.7 | ||||
| 10 | E | 34.2 | Very low | 37.8 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -136.7 | 139.7 | 136.5 | -89.9 | -138.4 | 128.1 | 0 | 0 | 111.2 | ||||
| 11 | V | 42.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 160.4 Ų | 160.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -69.5 | 131.1 | -174.9 | 163.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 12 | S | 37.1 | Very low | 38.2 | Very low | 116 Ų | 116 | 155 Ų | 155 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -138.4 | 127 | 156.9 | 34.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | K | 37.6 | Very low | 38.7 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 148.9 | -172.8 | -62.9 | 167.5 | 175.5 | 176.8 | 0 | 111.5 | A15 | K13-A15 PolarHBondContact O-N 3.37Š|
| 14 | P | 37.6 | Very low | 39.1 | Very low | 128 Ų | 128 | 159.7 Ų | 159.7 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 129.1 | 170 | 29.3 | -31.3 | 0 | 0 | 0 | 109.4 | E16 | P14-E16 PolarHBondContact O-N 3.41Š|
| 15 | A | 37.4 | Very low | 39.3 | Very low | 92 Ų | 92 | 157.9 Ų | 157.9 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K13 V17 | K13-A15 PolarHBondContact O-N 3.37Å; A15-V17 PolarHBondContact O-N 3.37Å |
| 16 | E | 32.6 | Very low | 39.3 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -62.3 | 99 | 171.3 | -171.8 | 175.5 | 176 | 0 | 0 | 108.8 | P14 Q18 | P14-E16 PolarHBondContact O-N 3.41Å; E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.1Å | ||
| 17 | V | 39.1 | Very low | 39.3 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 93.3 | 169.6 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | A15 G19 | A15-V17 PolarHBondContact O-N 3.37Å; V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 3.43Å | ||
| 18 | Q | 32.1 | Very low | 39.7 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -58.7 | 94.8 | 168.6 | -76.1 | -170.2 | -9.2 | 0 | 0 | 109.2 | E16 K20 | E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.1Å; Q18-K20 VanDerWaalsContact C-N 3.3Å; Q18-K20 PolarHBondContact O-N 3.17Å | ||
| 19 | G | 38.2 | Very low | 40.2 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -66.2 | 89.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V17 Y21 | V17-G19 VanDerWaalsContact C-N 3.31Å; V17-G19 PolarHBondContact O-N 3.43Å; G19-Y21 PolarHBondContact O-N 3.26Å | ||
| 20 | K | 37 | Very low | 40.8 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -65.5 | 107.6 | 162.9 | -68.1 | -166.4 | 178.8 | -173.8 | 0 | 107 | Q18 V22 | Q18-K20 VanDerWaalsContact C-N 3.3Å; Q18-K20 PolarHBondContact O-N 3.17Å; K20-V22 PolarHBondContact O-N 3.19Å | ||
| 21 | Y | 38.8 | Very low | 41.5 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 91% | 0.914 | 74% | 0.736 | S | S | * | * | trans | -59.8 | 90.9 | 163.9 | -95.1 | -97.4 | 0 | 0 | 0 | 108.1 | G19 K23 | G19-Y21 PolarHBondContact O-N 3.26Å; Y21-K23 PolarHBondContact O-N 3.26Å; Y21-K23 VanDerWaalsContact O-N 3.17Å | ||
| 22 | V | 43 | Very low | 41.8 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 109.2 | 160.7 | 177.4 | 0 | 0 | 0 | 0 | 104.9 | K20 K24 | K20-V22 PolarHBondContact O-N 3.19Å; V22-K24 PolarHBondContact O-N 3.23Å | ||
| 23 | K | 47.1 | Very low | 42.2 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | trans | -48.5 | 106.2 | 167.7 | -153.4 | 176.2 | -171.6 | 179.3 | 0 | 105.4 | Y21 E25 | Y21-K23 PolarHBondContact O-N 3.26Å; Y21-K23 VanDerWaalsContact O-N 3.17Å; K23-E25 PolarHBondContact O-N 3.35Å | ||
| 24 | K | 45.7 | Very low | 42.3 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 86% | 0.857 | 69% | 0.692 | S | S | * | * | trans | -63.6 | 97.3 | 177.9 | -57.8 | -175.5 | -174.7 | -175.1 | 0 | 104.8 | V22 T26 | V22-K24 PolarHBondContact O-N 3.23Å; K24-T26 PolarHBondContact O-N 3.36Å; K24-T26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | E | 49.3 | Very low | 43.2 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | trans | -53.9 | 124.9 | 170.9 | -64.8 | -156.7 | 157 | 0 | 0 | 106.1 | K23 S27 | K23-E25 PolarHBondContact O-N 3.35Å; E25-S27 PolarHBondContact O-N 3.03Å | ||
| 26 | T | 46.8 | Very low | 43.6 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 64% | 0.644 | 63% | 0.626 | S | S | * | * | trans | -44.6 | 120.8 | 172.3 | -56.3 | 0 | 0 | 0 | 0 | 107.5 | K24 L30 | K24-T26 PolarHBondContact O-N 3.36Å; K24-T26 VanDerWaalsContact O-N 3.12Å; T26-L30 HydrophobicContact CG2-CB 3.74Å; T26-L30 HydrophobicContact CG2-CD1 3.68Å; T26-L30 HydrophobicContact CG2-CG 4.37Å | ||
| 27 | S | 40.6 | Very low | 44.4 | Very low | 53 Ų | 53 | 117.3 Ų | 117.3 | 37% | 0.371 | 60% | 0.595 | S | S | . | * | trans | -37.5 | 133.2 | -175.1 | 172 | 0 | 0 | 0 | 0 | 111.3 | E25 L29 L30 | E25-S27 PolarHBondContact O-N 3.03Å; S27-L29 PolarHBondContact O-N 2.98Å; S27-L30 WeakPolarHBondContact O-CB 3.42Å; S27-L30 PolarHBondContact O-N 3.37Å | ||
| 28 | P | 49.2 | Very low | 45 | Very low | 114 Ų | 114 | 113.6 Ų | 113.6 | 74% | 0.74 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -58.7 | -17.3 | -178.4 | 20.9 | -30.9 | 0 | 0 | 0 | 113.2 | L30 R31 | P28-L30 VanDerWaalsContact C-N 3.33Å; P28-R31 PolarHBondContact O-N 3.42Å |
| 29 | L | 45.3 | Very low | 45.8 | Very low | 133 Ų | 133 | 111.4 Ų | 111.4 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -70.8 | -25.1 | 171.7 | -70 | 164.2 | 0 | 0 | 0 | 113.6 | S27 R31 L33 | S27-L29 PolarHBondContact O-N 2.98Å; L29-R31 VanDerWaalsContact C-N 3.31Å; L29-L33 WeakPolarHBondContact O-CD1 3.39Å |
| 30 | L | 46.8 | Very low | 46.5 | Very low | 73 Ų | 73 | 115 Ų | 115 | 38% | 0.382 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -86.1 | -1.1 | 178.7 | -63.7 | 172.8 | 0 | 0 | 0 | 112.6 | T26 S27 P28 N32 L33 R39 | T26-L30 HydrophobicContact CG2-CB 3.74Å; T26-L30 HydrophobicContact CG2-CD1 3.68Å; T26-L30 HydrophobicContact CG2-CG 4.37Å; S27-L30 WeakPolarHBondContact O-CB 3.42Å; S27-L30 PolarHBondContact O-N 3.37Å; P28-L30 VanDerWaalsContact C-N 3.33Å; L30-N32 VanDerWaalsContact C-N 3.29Å; L30-N32 PolarHBondContact O-N 3.47Å; L30-L33 HydrophobicContact CD2-CD1 4.19Å; L30-R39 PolarHBondContact O-NH2 3.45Å |
| 31 | R | 47.6 | Very low | 46.8 | Very low | 189 Ų | 189 | 108.1 Ų | 108.1 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -71.9 | -26.2 | 178.6 | -137.9 | -177.1 | -168.5 | -167.9 | 4.3 | 112.5 | P28 L29 R39 | P28-R31 PolarHBondContact O-N 3.42Å; L29-R31 VanDerWaalsContact C-N 3.31Å; R31-R39 PolarHBondContact O-NE 3.04Å; R31-R39 PolarHBondContact O-NH2 3.46Å |
| 32 | N | 48.1 | Very low | 47.3 | Very low | 149 Ų | 149 | 100.5 Ų | 100.5 | 80% | 0.797 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -111.2 | -4.1 | -174.9 | -59.7 | -25.5 | 0 | 0 | 0 | 114.1 | L30 | L30-N32 VanDerWaalsContact C-N 3.29Å; L30-N32 PolarHBondContact O-N 3.47Å |
| 33 | L | 46.7 | Very low | 47.7 | Very low | 69 Ų | 69 | 98.3 Ų | 98.3 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -93.8 | -0.9 | 178.5 | -79.1 | 162 | 0 | 0 | 0 | 113.5 | L29 L30 I351 | L29-L33 WeakPolarHBondContact O-CD1 3.39Å; L30-L33 HydrophobicContact CD2-CD1 4.19Å; L33-I351 HydrophobicContact CD2-CD1 4.19Å |
| 34 | M | 40.2 | Very low | 47.9 | Very low | 77 Ų | 77 | 91 Ų | 91 | 38% | 0.379 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -113.8 | 117.8 | 173.6 | -58.5 | -154.6 | 83.6 | 0 | 0 | 108.5 | I38 | M34-I38 HydrophobicContact CE-CB 4.24Å; M34-I38 HydrophobicContact CE-CD1 4.04Å; M34-I38 HydrophobicContact CE-CG2 3.49Å; M34-I38 VanDerWaalsContact CE-CG2 3.49Å; M34-I38 HydrophobicContact SD-CG2 4.46Å |
| 35 | P | 55.4 | Low | 47.8 | Very low | 17 Ų | 17 | 84 Ų | 84 | 11% | 0.11 | 44% | 0.444 | C | S | . | . | trans | -51.7 | 149.2 | 171.4 | -31 | 36.8 | 0 | 0 | 0 | 112.9 | F37 I38 | P35-F37 HydrophobicContact CB-CD1 3.42Å; P35-F37 VanDerWaalsContact CB-CD1 3.42Å; P35-F37 HydrophobicContact CB-CE1 3.09Å; P35-F37 HydrophobicContact CB-CG 4.38Å; P35-F37 HydrophobicContact CB-CZ 3.82Å; P35-F37 HydrophobicContact CG-CE1 3.73Å; P35-F37 HydrophobicContact CG-CZ 4.14Å; P35-F37 PolarHBondContact O-N 3.37Å; P35-F37 VanDerWaalsContact O-N 3.12Å; P35-I38 WeakPolarHBondContact O-CB 3.44Å; P35-I38 PolarHBondContact O-N 3.02Å | ||
| 36 | S | 45.2 | Very low | 47.6 | Very low | 12 Ų | 12 | 86.8 Ų | 86.8 | 8% | 0.084 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -43.3 | -45.7 | -178.7 | -41.6 | 0 | 0 | 0 | 0 | 115 | I38 R39 H40 A315 V317 | S36-I38 PolarHBondContact O-N 2.91Å; S36-I38 VanDerWaalsContact O-N 3.16Å; S36-R39 PolarHBondContact O-N 3.47Å; S36-R39 VanDerWaalsContact O-N 3.12Å; S36-H40 PolarHBondContact O-N 3.28Å; S36-A315 PolarHBondContact OG-O 3.4Å; S36-V317 WeakPolarHBondContact OG-CA 3.48Å; S36-V317 VanDerWaalsContact OG-CG1 3.25Å; S36-V317 WeakPolarHBondContact OG-CG1 3.37Å; S36-V317 PolarHBondContact OG-N 2.89Å |
| 37 | F | 51.1 | Low | 47.4 | Very low | 34 Ų | 34 | 88.8 Ų | 88.8 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.6 | -15.4 | -175.3 | 68.5 | -98.9 | 0 | 0 | 0 | 113.1 | P35 G41 F344 | P35-F37 HydrophobicContact CB-CD1 3.42Å; P35-F37 VanDerWaalsContact CB-CD1 3.42Å; P35-F37 HydrophobicContact CB-CE1 3.09Å; P35-F37 HydrophobicContact CB-CG 4.38Å; P35-F37 HydrophobicContact CB-CZ 3.82Å; P35-F37 HydrophobicContact CG-CE1 3.73Å; P35-F37 HydrophobicContact CG-CZ 4.14Å; P35-F37 PolarHBondContact O-N 3.37Å; P35-F37 VanDerWaalsContact O-N 3.12Å; F37-G41 CarbonylContact O-C 3.17Å; F37-G41 WeakPolarHBondContact O-CA 3.33Å; F37-G41 PolarHBondContact O-N 3.33Å; F37-G41 VanDerWaalsContact O-N 3.13Å; F37-F344 HydrophobicContact CZ-CB 4.38Å |
| 38 | I | 51.1 | Low | 47.7 | Very low | 60 Ų | 60 | 91.3 Ų | 91.3 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -88.7 | -29 | 176.5 | -51.9 | -179.6 | 0 | 0 | 0 | 111.5 | M34 P35 S36 F344 | M34-I38 HydrophobicContact CE-CB 4.24Å; M34-I38 HydrophobicContact CE-CD1 4.04Å; M34-I38 HydrophobicContact CE-CG2 3.49Å; M34-I38 VanDerWaalsContact CE-CG2 3.49Å; M34-I38 HydrophobicContact SD-CG2 4.46Å; P35-I38 WeakPolarHBondContact O-CB 3.44Å; P35-I38 PolarHBondContact O-N 3.02Å; S36-I38 PolarHBondContact O-N 2.91Å; S36-I38 VanDerWaalsContact O-N 3.16Å; I38-F344 HydrophobicContact CD1-CD2 3.42Å; I38-F344 VanDerWaalsContact CD1-CD2 3.42Å; I38-F344 HydrophobicContact CD1-CE2 3.5Å; I38-F344 HydrophobicContact CD1-CG 4.14Å; I38-F344 HydrophobicContact CD1-CZ 4.26Å |
| 39 | R | 49.1 | Very low | 47.2 | Very low | 100 Ų | 100 | 92.3 Ų | 92.3 | 38% | 0.377 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -80.1 | -31.8 | 177 | -68.6 | -169.4 | -164.8 | -71.5 | -19.1 | 113 | L30 R31 S36 | L30-R39 PolarHBondContact O-NH2 3.45Å; R31-R39 PolarHBondContact O-NE 3.04Å; R31-R39 PolarHBondContact O-NH2 3.46Å; S36-R39 PolarHBondContact O-N 3.47Å; S36-R39 VanDerWaalsContact O-N 3.12Å |
| 40 | H | 51.9 | Low | 46.6 | Very low | 140 Ų | 140 | 91.1 Ų | 91.1 | 65% | 0.648 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -115.7 | -3.1 | -172.6 | -59.7 | -67 | 0 | 0 | 0 | 113.4 | S36 | S36-H40 PolarHBondContact O-N 3.28Å |
| 41 | G | 44.1 | Very low | 45.9 | Very low | 28 Ų | 28 | 93.6 Ų | 93.6 | 29% | 0.289 | 47% | 0.47 | S | S | . | . | trans | 71.8 | 169.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F37 T43 | F37-G41 CarbonylContact O-C 3.17Å; F37-G41 WeakPolarHBondContact O-CA 3.33Å; F37-G41 PolarHBondContact O-N 3.33Å; F37-G41 VanDerWaalsContact O-N 3.13Å; G41-T43 PolarHBondContact O-N 2.9Å | ||
| 42 | P | 48.9 | Very low | 45.3 | Very low | 72 Ų | 72 | 91.9 Ų | 91.9 | 47% | 0.468 | 47% | 0.474 | S | S | . | . | trans | -62 | 122 | 169.2 | -10.4 | 24 | 0 | 0 | 0 | 108.1 | I44 | P42-I44 HydrophobicContact CB-CB 4.15Å; P42-I44 HydrophobicContact CB-CD1 3.81Å; P42-I44 HydrophobicContact CB-CG1 3.8Å; P42-I44 PolarHBondContact O-N 3.18Å | ||
| 43 | T | 50.8 | Low | 44.8 | Very low | 74 Ų | 74 | 90.3 Ų | 90.3 | 45% | 0.454 | 47% | 0.472 | S | S | . | . | trans | -73.9 | 34.7 | 162.5 | -35.3 | 0 | 0 | 0 | 0 | 109.9 | G41 P45 D320 W325 | G41-T43 PolarHBondContact O-N 2.9Å; T43-P45 WeakPolarHBondContact O-CD 3.44Å; T43-D320 WeakPolarHBondContact CB-OD2 3.25Å; T43-D320 PolarHBondContact OG1-OD2 2.69Å; T43-W325 VanDerWaalsContact O-CD1 3.3Å | ||
| 44 | I | 51.9 | Low | 44.1 | Very low | 35 Ų | 35 | 94.8 Ų | 94.8 | 18% | 0.179 | 50% | 0.497 | C | S | . | . | trans | -76.1 | 106.5 | 165.5 | -62.3 | 169.4 | 0 | 0 | 0 | 103.4 | P42 R46 W325 L333 | P42-I44 HydrophobicContact CB-CB 4.15Å; P42-I44 HydrophobicContact CB-CD1 3.81Å; P42-I44 HydrophobicContact CB-CG1 3.8Å; P42-I44 PolarHBondContact O-N 3.18Å; I44-R46 PolarHBondContact O-N 2.9Å; I44-W325 HydrophobicContact CB-CB 4.26Å; I44-W325 HydrophobicContact CB-CG 4.17Å; I44-W325 HydrophobicContact CD1-CD2 4.36Å; I44-W325 HydrophobicContact CD1-CE3 4.43Å; I44-W325 HydrophobicContact CG1-CB 4.12Å; I44-W325 HydrophobicContact CG1-CD2 3.6Å; I44-W325 HydrophobicContact CG1-CE3 4.13Å; I44-W325 HydrophobicContact CG1-CG 3.61Å; I44-W325 HydrophobicContact CG2-CB 4Å; I44-W325 HydrophobicContact CG2-CG 4.41Å; I44-L333 HydrophobicContact CD1-CD2 4.49Å; I44-L333 HydrophobicContact CG2-CD1 4.08Å; I44-L333 HydrophobicContact CG2-CD2 4.34Å | ||
| 45 | P | 43.3 | Very low | 43.8 | Very low | 52 Ų | 52 | 97 Ų | 97 | 34% | 0.338 | 52% | 0.519 | S | S | . | . | trans | -63.5 | 118.2 | 173.4 | -19 | 38.7 | 0 | 0 | 0 | 104.6 | T43 R47 E326 | T43-P45 WeakPolarHBondContact O-CD 3.44Å; P45-R47 PolarHBondContact O-N 3.3Å; P45-E326 HydrophobicContact CB-CG 4.27Å; P45-E326 HydrophobicContact CG-CG 4.1Å; P45-E326 WeakPolarHBondContact CG-OE1 3.49Å | ||
| 46 | R | 44.8 | Very low | 42.7 | Very low | 237 Ų | 237 | 101.6 Ų | 101.6 | 89% | 0.894 | 55% | 0.552 | S | S | * | * | trans | -64 | 85 | 153.7 | -76.4 | -162.4 | 176.5 | 110.7 | 0.6 | 104.7 | I44 T48 | I44-R46 PolarHBondContact O-N 2.9Å; R46-T48 PolarHBondContact O-N 2.89Å | ||
| 47 | R | 42.9 | Very low | 42.5 | Very low | 146 Ų | 146 | 106.6 Ų | 106.6 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | trans | -73.2 | 79.6 | 179.9 | -135.8 | -160.3 | -167.4 | 171.9 | -2.9 | 107.2 | P45 I50 E326 | P45-R47 PolarHBondContact O-N 3.3Å; R47-I50 VanDerWaalsContact CZ-CD1 3.49Å; R47-I50 VanDerWaalsContact CZ-CG1 3.47Å; R47-E326 HydrophobicContact CB-CG 4.23Å; R47-E326 HydrophobicContact CG-CG 4.16Å | ||
| 48 | T | 46.9 | Very low | 41.5 | Very low | 107 Ų | 107 | 113 Ų | 113 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | trans | -73 | 147 | 132.1 | 54.3 | 0 | 0 | 0 | 0 | 106.1 | R46 | R46-T48 PolarHBondContact O-N 2.89Š| ||
| 49 | D | 39.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 114.5 Ų | 114.5 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | trans | 88.9 | 77.5 | 164.1 | -37.9 | -45.5 | 0 | 0 | 0 | 115.7 | ||||
| 50 | I | 32.5 | Very low | 39.4 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 55% | 0.554 | 67% | 0.667 | S | S | * | * | trans | -105.2 | 103.5 | 141.9 | -57.7 | 166.3 | 0 | 0 | 0 | 105.9 | R47 L52 | R47-I50 VanDerWaalsContact CZ-CD1 3.49Å; R47-I50 VanDerWaalsContact CZ-CG1 3.47Å; I50-L52 PolarHBondContact O-N 2.99Å | ||
| 51 | C | 31.1 | Very low | 38.4 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -70 | 120.2 | 159.4 | -74.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 52 | L | 35.8 | Very low | 37.8 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 80% | 0.801 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 144.3 | 163 | -77.6 | 160.8 | 0 | 0 | 0 | 108.7 | I50 | I50-L52 PolarHBondContact O-N 2.99Š|
| 53 | P | 38.2 | Very low | 37 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 144.4 | 175 | 31.5 | -31.2 | 0 | 0 | 0 | 110.7 | ||
| 54 | D | 31.8 | Very low | 36 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | -45.6 | 133.5 | 179 | -78.3 | -46.6 | 0 | 0 | 0 | 113.7 | ||||
| 55 | S | 32.4 | Very low | 35.1 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -124.2 | 104.8 | 154.1 | -72.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 56 | S | 33.1 | Very low | 34.5 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -68.1 | 156.5 | 172.1 | 32.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 57 | P | 41.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -95.7 | 156.4 | -156.2 | 36.8 | -32.5 | 0 | 0 | 0 | 112.2 | ||||
| 58 | N | 29.5 | Very low | 33.4 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | trans | -146.5 | 131.3 | 152.2 | -124.2 | 0.5 | 0 | 0 | 0 | 113.7 | ||||
| 59 | A | 29.1 | Very low | 32.5 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | 65.7 | 99.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 60 | F | 28.5 | Very low | 32.1 | Very low | 209 Ų | 209 | 132 Ų | 132 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 140.5 | 148.9 | -77.3 | -81.5 | 0 | 0 | 0 | 110.2 | ||||
| 61 | S | 28.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -135.1 | 107.6 | 150.4 | -68.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 62 | T | 32.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | 44.4 | 115.6 | 143.1 | 43.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 63 | S | 31.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -136.1 | 120.8 | 149.9 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 64 | G | 30.7 | Very low | 32 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 167.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 65 | D | 32.2 | Very low | 32.3 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -58.7 | 150.9 | 177.5 | -72 | -53.6 | 0 | 0 | 0 | 114.4 | ||||
| 66 | G | 30.5 | Very low | 32.6 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 141.7 | 100.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 67 | V | 32.3 | Very low | 32.7 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | 79.3 | 111.2 | 122 | 171.5 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 68 | V | 32.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | 41.9 | 133.5 | 153.1 | -86.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 69 | S | 29.6 | Very low | 33.1 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 153.7 | 135.5 | 98.8 | -153.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 70 | R | 30.3 | Very low | 33.4 | Very low | 226 Ų | 226 | 147.2 Ų | 147.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 69.3 | 120.2 | 141 | -133.2 | 170.4 | -173.2 | 178.2 | 1.2 | 121.7 | ||||
| 71 | N | 33.3 | Very low | 33.9 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -17.4 | 127.6 | 152 | -50.3 | -40.4 | 0 | 0 | 0 | 116.3 | ||||
| 72 | Q | 32.5 | Very low | 34.5 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -162.6 | 131.8 | 138.6 | -110.4 | -179.3 | 56.7 | 0 | 0 | 112.3 | F74 | Q72-F74 HydrophobicContact CB-CE2 4.05Š| ||
| 73 | S | 37.5 | Very low | 35.1 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -79 | 135.9 | 172.5 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 74 | F | 32.9 | Very low | 35.8 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -137.5 | 132.9 | 164.4 | -74.6 | -76 | 0 | 0 | 0 | 113 | Q72 | Q72-F74 HydrophobicContact CB-CE2 4.05Š| ||
| 75 | L | 38.2 | Very low | 36.5 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 138.7 | 171.6 | -64.5 | 159.5 | 0 | 0 | 0 | 110.5 | ||
| 76 | R | 37.3 | Very low | 37.2 | Very low | 239 Ų | 239 | 152.3 Ų | 152.3 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 124.9 | 170.8 | -105.1 | -173.4 | -171.7 | -118.3 | 4 | 110.5 | ||
| 77 | T | 36.3 | Very low | 37.8 | Very low | 131 Ų | 131 | 156.4 Ų | 156.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 149.7 | 163.3 | 21.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 78 | P | 39 | Very low | 38.4 | Very low | 125 Ų | 125 | 161.6 Ų | 161.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83 | 146.6 | -179.5 | 32.1 | -32.2 | 0 | 0 | 0 | 113.2 | ||
| 79 | I | 40.9 | Very low | 39 | Very low | 143 Ų | 143 | 166.1 Ų | 166.1 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68 | 127 | 179.1 | -68.4 | 154.4 | 0 | 0 | 0 | 110.5 | ||
| 80 | Q | 34.9 | Very low | 39.5 | Very low | 192 Ų | 192 | 168.3 Ų | 168.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 130.7 | 168.9 | -71.8 | -171.2 | 6.2 | 0 | 0 | 110.4 | ||
| 81 | R | 38 | Very low | 40.1 | Very low | 214 Ų | 214 | 162.4 Ų | 162.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -112.2 | 148.9 | 166.4 | -71.2 | -169.1 | 178.8 | 132.6 | -0.7 | 109.9 | ||||
| 82 | T | 42.3 | Very low | 40.6 | Very low | 110 Ų | 110 | 162.9 Ų | 162.9 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -78.3 | 156.9 | -168 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | H84 | T82-H84 PolarHBondContact O-N 3.37Š| ||
| 83 | P | 45.2 | Very low | 40.9 | Very low | 124 Ų | 124 | 166.8 Ų | 166.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 12.1 | -162 | -18.2 | 33.3 | 0 | 0 | 0 | 117.7 | ||
| 84 | H | 45.3 | Very low | 41 | Very low | 184 Ų | 184 | 169.7 Ų | 169.7 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -0.8 | -171.7 | -118.9 | -68.8 | 0 | 0 | 0 | 115.8 | T82 | T82-H84 PolarHBondContact O-N 3.37Š|
| 85 | E | 44.8 | Very low | 41.1 | Very low | 161 Ų | 161 | 166.3 Ų | 166.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -101.1 | -3.8 | -178.8 | -105.1 | -175.2 | 145.3 | 0 | 0 | 114.9 | ||
| 86 | I | 48.1 | Very low | 40.8 | Very low | 142 Ų | 142 | 162.7 Ų | 162.7 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -87.3 | -16.6 | -171.8 | -66.4 | 165.8 | 0 | 0 | 0 | 112.9 | ||
| 87 | M | 43.3 | Very low | 40.8 | Very low | 152 Ų | 152 | 156.8 Ų | 156.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 35.8 | -167.9 | -131.4 | -176.3 | 82.9 | 0 | 0 | 115.2 | E90 | M87-E90 WeakPolarHBondContact CG-OE1 3.27Š|
| 88 | R | 44.6 | Very low | 40.5 | Very low | 245 Ų | 245 | 155.8 Ų | 155.8 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.7 | 17.2 | 172.2 | -84.1 | -161.3 | 179.2 | 161.8 | 1.5 | 115.1 | ||
| 89 | R | 45.6 | Very low | 40.3 | Very low | 228 Ų | 228 | 160.2 Ų | 160.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -128.8 | 25.2 | -176.2 | -144.7 | -176.8 | -170.4 | 176.5 | 4.2 | 115 | ||
| 90 | E | 38.9 | Very low | 40 | Very low | 150 Ų | 150 | 161.3 Ų | 161.3 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -117.5 | 19.4 | -171.2 | 63.9 | -162.3 | 147.8 | 0 | 0 | 115.3 | M87 | M87-E90 WeakPolarHBondContact CG-OE1 3.27Š| ||
| 91 | S | 43.4 | Very low | 39.9 | Very low | 102 Ų | 102 | 156.7 Ų | 156.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -124.1 | 18.4 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 92 | N | 44.2 | Very low | 39.6 | Very low | 157 Ų | 157 | 158.8 Ų | 158.8 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -160.2 | 61.9 | 170.6 | -96.7 | -23.1 | 0 | 0 | 0 | 115 | ||
| 93 | R | 39.2 | Very low | 38.9 | Very low | 242 Ų | 242 | 158.6 Ų | 158.6 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 97.2 | 159 | -80.2 | -159.8 | 175.9 | -145.1 | -0.8 | 111.1 | S95 | R93-S95 PolarHBondContact O-N 3.11Š| ||
| 94 | L | 38.9 | Very low | 38.2 | Very low | 171 Ų | 171 | 160.3 Ų | 160.3 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -74.1 | 110.3 | 163.6 | -74.1 | 163.4 | 0 | 0 | 0 | 109.1 | ||||
| 95 | S | 35.9 | Very low | 37.6 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 26.1 | 117.2 | 139.4 | 55.9 | 0 | 0 | 0 | 0 | 120.1 | R93 | R93-S95 PolarHBondContact O-N 3.11Š| ||
| 96 | A | 31.8 | Very low | 37 | Very low | 96 Ų | 96 | 156 Ų | 156 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -131.4 | 129.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 97 | P | 35.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 155.6 Ų | 155.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -80.7 | 132.7 | -174.7 | 29.5 | -30.6 | 0 | 0 | 0 | 112 | Y99 | P97-Y99 HydrophobicContact CB-CE2 4.36Š| ||
| 98 | S | 30.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -92.2 | 124.1 | 166.9 | 58.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 99 | Y | 34.8 | Very low | 35.9 | Very low | 219 Ų | 219 | 152.5 Ų | 152.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | trans | -115.9 | 117.4 | 159.1 | -76 | -81.4 | 0 | 0 | 0 | 109 | P97 | P97-Y99 HydrophobicContact CB-CE2 4.36Š| ||
| 100 | L | 34.3 | Very low | 35.2 | Very low | 166 Ų | 166 | 148 Ų | 148 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -88.5 | 139.7 | 165.4 | -79.3 | 173.7 | 0 | 0 | 0 | 110.1 | ||||
| 101 | A | 33.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 60.3 | 118.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 102 | R | 30.7 | Very low | 34.1 | Very low | 258 Ų | 258 | 150 Ų | 150 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | trans | -130.9 | 136 | 139.8 | -117.2 | -172.8 | -177.9 | -169.1 | 0.8 | 109.5 | ||||
| 103 | S | 28.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -110.1 | 158.7 | -178.2 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 104 | L | 30.8 | Very low | 33.1 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 95.8 | 109.4 | 155.4 | -123.4 | 82.4 | 0 | 0 | 0 | 119.9 | ||||
| 105 | A | 33.3 | Very low | 32.7 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | 29.3 | 117.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 106 | D | 31.1 | Very low | 32.3 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | -167.8 | 138.8 | 124.6 | -97.2 | -36.7 | 0 | 0 | 0 | 110.5 | |||||
| 107 | V | 38.1 | Very low | 32.2 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -111.2 | 134.4 | 176.5 | 167.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 108 | P | 40 | Very low | 32.1 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | -152.7 | 138.8 | 102 | 34.4 | -13.2 | 0 | 0 | 0 | 117.5 | |||||
| 109 | R | 35.3 | Very low | 32 | Very low | 212 Ų | 212 | 147.4 Ų | 147.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | 30.1 | 123.2 | 133.4 | -126 | -164.6 | -168.8 | -144 | 10.8 | 121.2 | ||||
| 110 | E | 29.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 62% | 0.621 | 80% | 0.798 | S | S | * | * | 138.6 | 134.5 | 122.8 | -71.6 | -156.6 | -179.6 | 0 | 0 | 117.4 | |||||
| 111 | Y | 30.9 | Very low | 31.5 | Very low | 226 Ų | 226 | 142.4 Ų | 142.4 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | 56.7 | 129.9 | 156.7 | -89.4 | -89.8 | 0 | 0 | 0 | 122.8 | ||||
| 112 | G | 27.8 | Very low | 31.2 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 135.6 | 84 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 113 | S | 29 | Very low | 31 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 61.4 | 113.6 | 134.5 | -143.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 114 | S | 34.2 | Very low | 31.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | -168.8 | 113.9 | 108.5 | -75.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 115 | Q | 31.7 | Very low | 31.3 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -77.7 | 148.1 | 165.3 | -69.1 | 176.2 | -5.8 | 0 | 0 | 109.8 | ||||
| 116 | S | 27.4 | Very low | 31.1 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | -169.4 | 106.5 | 127.5 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 117 | F | 29.4 | Very low | 31.2 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | trans | -56 | 146.6 | 156.8 | 174.1 | -90.7 | 0 | 0 | 0 | 112.3 | T119 | F117-T119 HydrophobicContact CE1-CG2 4.48Å; F117-T119 WeakPolarHBondContact CE1-OG1 3.11Å | ||
| 118 | V | 32.2 | Very low | 30.8 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -163.2 | 153.7 | 138.8 | -76.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 119 | T | 30.1 | Very low | 30.3 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 52% | 0.515 | 78% | 0.775 | S | S | . | * | cis | -172.1 | 125.5 | -31.4 | -72.8 | 0 | 0 | 0 | 0 | 102.6 | F117 V121 | F117-T119 HydrophobicContact CE1-CG2 4.48Å; F117-T119 WeakPolarHBondContact CE1-OG1 3.11Å; T119-V121 HydrophobicContact CG2-CG2 3.82Å | ||
| 120 | E | 27.1 | Very low | 30.2 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -76.8 | 130 | 167.2 | -168.2 | 179.2 | -163.6 | 0 | 0 | 108.3 | ||||
| 121 | V | 30.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 132 Ų | 132 | 61% | 0.606 | 78% | 0.781 | S | S | * | * | trans | -131.2 | 111 | 170.5 | 179.6 | 0 | 0 | 0 | 0 | 109 | T119 F123 | T119-V121 HydrophobicContact CG2-CG2 3.82Å; V121-F123 HydrophobicContact CG1-CD2 3.31Å; V121-F123 HydrophobicContact CG1-CE2 3.32Å; V121-F123 HydrophobicContact CG1-CG 4.4Å; V121-F123 HydrophobicContact CG1-CZ 4.41Å | ||
| 122 | S | 27.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 139.1 | 155.3 | -71.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 123 | F | 27.1 | Very low | 30.4 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | trans | -139 | 136.2 | 151.8 | -84.2 | -69.8 | 0 | 0 | 0 | 109.9 | V121 | V121-F123 HydrophobicContact CG1-CD2 3.31Å; V121-F123 HydrophobicContact CG1-CE2 3.32Å; V121-F123 HydrophobicContact CG1-CG 4.4Å; V121-F123 HydrophobicContact CG1-CZ 4.41Å | ||
| 124 | A | 29.5 | Very low | 30.6 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | -118.6 | 153.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 125 | V | 35.2 | Very low | 30.3 | Very low | 137 Ų | 137 | 143 Ų | 143 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | 71.5 | 130.8 | 166.1 | -133.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 126 | E | 30.1 | Very low | 30.2 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | cis | -164.5 | 148.7 | 39.1 | -168.9 | 175.7 | 152.6 | 0 | 0 | 112.1 | ||||
| 127 | N | 32.9 | Very low | 30.2 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | 22.9 | 129 | 156.8 | -59.9 | -37.7 | 0 | 0 | 0 | 122.6 | ||||
| 128 | G | 29.1 | Very low | 30.2 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 174.3 | 100.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 129 | D | 29.3 | Very low | 29.9 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -66.3 | 137.5 | 174.8 | 177.3 | 32.1 | 0 | 0 | 0 | 112.7 | ||||
| 130 | S | 34.5 | Very low | 29.9 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 171.7 | 118.1 | 145.5 | -78.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | G | 30.8 | Very low | 30.3 | Very low | 72 Ų | 72 | 149.6 Ų | 149.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -83.5 | -179.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 132 | S | 31.6 | Very low | 30.3 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 75 | 109.9 | 151.1 | -148.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 133 | R | 30.6 | Very low | 30.5 | Very low | 227 Ų | 227 | 149.7 Ų | 149.7 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | -178.3 | 130.6 | 107.9 | -96 | 170 | -162.6 | 166.7 | 6.1 | 112.4 | |||||
| 134 | Y | 31.5 | Very low | 30.6 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -57.9 | 140.8 | 165.5 | -67.5 | -96.6 | 0 | 0 | 0 | 112.1 | ||||
| 135 | Y | 29.5 | Very low | 30.7 | Very low | 213 Ų | 213 | 155 Ų | 155 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -149.3 | 104.8 | 145.1 | -90.6 | -74.5 | 0 | 0 | 0 | 110.2 | ||||
| 136 | Y | 29.5 | Very low | 30.6 | Very low | 238 Ų | 238 | 156.6 Ų | 156.6 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | trans | -86.9 | 128.3 | 151.9 | -132.3 | -96.7 | 0 | 0 | 0 | 105.3 | ||||
| 137 | S | 27.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -110.5 | 119.3 | 171.3 | -75.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | D | 27.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 156.9 Ų | 156.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -57.8 | 146.5 | 164.4 | -103.4 | -59.2 | 0 | 0 | 0 | 112.2 | F140 | D138-F140 HydrophobicContact CB-CD2 4.34Š| ||
| 139 | N | 26.8 | Very low | 31.4 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -110.7 | 106.5 | 158.7 | -98.8 | 13.7 | 0 | 0 | 0 | 108.7 | ||||
| 140 | F | 31 | Very low | 31.3 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | trans | -103.4 | 137.3 | 163.1 | -94.4 | -93 | 0 | 0 | 0 | 109.7 | D138 | D138-F140 HydrophobicContact CB-CD2 4.34Š| ||
| 141 | F | 33.4 | Very low | 31 | Very low | 208 Ų | 208 | 159.4 Ų | 159.4 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -139.8 | 129.2 | 143.4 | -131.6 | -87 | 0 | 0 | 0 | 109.9 | ||||
| 142 | D | 31.3 | Very low | 31 | Very low | 153 Ų | 153 | 167.9 Ų | 167.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -46.4 | 156.7 | 170.4 | -110.2 | -34.8 | 0 | 0 | 0 | 113 | ||||
| 143 | G | 30.6 | Very low | 30.9 | Very low | 51 Ų | 51 | 166.5 Ų | 166.5 | 53% | 0.526 | 80% | 0.797 | S | S | . | * | cis | 107 | 99.5 | 26.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 144 | Q | 30.3 | Very low | 30.8 | Very low | 182 Ų | 182 | 164 Ų | 164 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 144.7 | 155.5 | -87.8 | -59.7 | -59.6 | 0 | 0 | 111.7 | ||||
| 145 | R | 30.6 | Very low | 30.6 | Very low | 215 Ų | 215 | 160.5 Ų | 160.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 140.6 | -151.9 | -69 | -176 | -168.6 | -167.3 | 7.8 | 115 | ||||
| 146 | K | 33 | Very low | 30.5 | Very low | 170 Ų | 170 | 160 Ų | 160 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | 55.9 | 137.9 | 97.3 | -59.2 | -169.9 | 177.8 | -178.3 | 0 | 114.9 | |||||
| 147 | R | 30.8 | Very low | 30.5 | Very low | 206 Ų | 206 | 155.8 Ų | 155.8 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | cis | 174.9 | -168.8 | 4.9 | -100.4 | -176 | -165.9 | -140.6 | 2.8 | 105.6 | ||||
| 148 | P | 49.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 160.3 Ų | 160.3 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | -136.4 | -163 | -61.3 | 42.9 | -24.1 | 0 | 0 | 0 | 113.5 | |||||
| 149 | L | 29.7 | Very low | 30.7 | Very low | 179 Ų | 179 | 163.3 Ų | 163.3 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | trans | 84.8 | 134.5 | 167.8 | -116.9 | 75.8 | 0 | 0 | 0 | 115.9 | ||||
| 150 | G | 27.5 | Very low | 31 | Very low | 65 Ų | 65 | 164.2 Ų | 164.2 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | cis | 176.1 | 154.7 | 3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 151 | D | 28.1 | Very low | 30.8 | Very low | 160 Ų | 160 | 164.9 Ų | 164.9 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | 45.9 | 112.3 | 148 | -146 | 11 | 0 | 0 | 0 | 121 | ||||
| 152 | R | 29.8 | Very low | 30.5 | Very low | 250 Ų | 250 | 164.5 Ų | 164.5 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | trans | -161.5 | 101 | 142.3 | -131.1 | 174.3 | 178.5 | 143.7 | -2.1 | 112.3 | ||||
| 153 | A | 30.4 | Very low | 30.4 | Very low | 78 Ų | 78 | 163.8 Ų | 163.8 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -81.1 | 152.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 154 | H | 28.9 | Very low | 30.2 | Very low | 174 Ų | 174 | 169.3 Ų | 169.3 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | 80.6 | 136.6 | 150.6 | -111.4 | 49.8 | 0 | 0 | 0 | 121.5 | ||||
| 155 | E | 26.3 | Very low | 30.3 | Very low | 142 Ų | 142 | 167 Ų | 167 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 73.3 | 97.8 | 160 | -68.7 | -177.5 | 132.8 | 0 | 0 | 119.4 | ||||
| 156 | E | 28.2 | Very low | 30.2 | Very low | 203 Ų | 203 | 164.5 Ų | 164.5 | 95% | 0.949 | 77% | 0.774 | S | S | * | * | -142.5 | 144.7 | 125.9 | -140.6 | 168.1 | -166.5 | 0 | 0 | 111.3 | |||||
| 157 | Y | 29.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 165.4 Ų | 165.4 | 58% | 0.58 | 78% | 0.778 | S | S | * | * | trans | -91.7 | 149.2 | -153.6 | -100.1 | -131.8 | 0 | 0 | 0 | 114.4 | ||||
| 158 | R | 31.6 | Very low | 30.2 | Very low | 199 Ų | 199 | 164.1 Ų | 164.1 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | 30.4 | 126.7 | 134.3 | -54.3 | -168.1 | -156.8 | 139.9 | -0.3 | 121 | ||||
| 159 | Y | 27.2 | Very low | 29.1 | Very low | 194 Ų | 194 | 170.9 Ų | 170.9 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 176.6 | 114.8 | 140.8 | -120.3 | -130.7 | 0 | 0 | 0 | 106.5 | ||||
| 160 | Y | 33.4 | Very low | 29.1 | Very low | 188 Ų | 188 | 170.9 Ų | 170.9 | 74% | 0.737 | 79% | 0.79 | S | S | * | * | cis | -145 | 130.8 | 12.6 | -82.5 | -86.8 | 0 | 0 | 0 | 109.3 | ||||
| 161 | E | 26 | Very low | 29.6 | Very low | 191 Ų | 191 | 174.1 Ų | 174.1 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -127.1 | 108.3 | 159.4 | -175.5 | 175.1 | -167 | 0 | 0 | 105.5 | ||||
| 162 | Y | 27.6 | Very low | 29.7 | Very low | 200 Ų | 200 | 175 Ų | 175 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -158.4 | 102.8 | 169.3 | -146.1 | -105 | 0 | 0 | 0 | 110.8 | ||||
| 163 | N | 28.8 | Very low | 29.6 | Very low | 138 Ų | 138 | 169 Ų | 169 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 150.9 | 94.3 | 127.9 | -80.5 | -62.8 | 0 | 0 | 0 | 110.7 | |||||
| 164 | H | 27.8 | Very low | 29.6 | Very low | 167 Ų | 167 | 173.9 Ų | 173.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -132.6 | 134.7 | 148.3 | -145.1 | -77.4 | 0 | 0 | 0 | 107.9 | ||||
| 165 | D | 30.7 | Very low | 29.4 | Very low | 133 Ų | 133 | 169 Ų | 169 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 80.5 | 108.9 | 166.8 | -59 | -50 | 0 | 0 | 0 | 121.4 | ||||
| 166 | L | 30 | Very low | 29.6 | Very low | 163 Ų | 163 | 173.3 Ų | 173.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -144.1 | 100.1 | 144.1 | -129.5 | 128.6 | 0 | 0 | 0 | 111.8 | ||||
| 167 | F | 30.9 | Very low | 29.6 | Very low | 188 Ų | 188 | 171.9 Ų | 171.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 72.7 | 132.6 | 142.4 | -83.5 | -92.9 | 0 | 0 | 0 | 125.1 | ||||
| 168 | Q | 32.1 | Very low | 29.5 | Very low | 179 Ų | 179 | 169.7 Ų | 169.7 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -60.3 | 145.3 | 164.3 | -66.3 | 165.9 | -10.9 | 0 | 0 | 114.8 | ||||
| 169 | R | 26.8 | Very low | 29.5 | Very low | 250 Ų | 250 | 166.4 Ų | 166.4 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -174.7 | 132.8 | 133 | -120.3 | 176.6 | -170.1 | 172.1 | 3.7 | 112.9 | ||||
| 170 | M | 30.7 | Very low | 29.5 | Very low | 178 Ų | 178 | 160 Ų | 160 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -79.8 | 164.7 | 163.8 | -61.8 | -153.8 | -177.6 | 0 | 0 | 111.4 | ||||
| 171 | P | 38 | Very low | 29.2 | Very low | 133 Ų | 133 | 159.8 Ų | 159.8 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | -146.3 | 177.8 | 88.1 | 34.9 | -14 | 0 | 0 | 0 | 116.9 | |||||
| 172 | Q | 29.8 | Very low | 29.2 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 142.5 | -171.6 | 174.7 | -179.1 | -0.4 | 0 | 0 | 116.6 | ||||
| 173 | N | 28.1 | Very low | 29.2 | Very low | 125 Ų | 125 | 155.8 Ų | 155.8 | 67% | 0.668 | 81% | 0.811 | S | S | * | * | 176.6 | 133.4 | 123.6 | -117.3 | -11.2 | 0 | 0 | 0 | 117 | |||||
| 174 | Q | 28.8 | Very low | 29.3 | Very low | 180 Ų | 180 | 155.9 Ų | 155.9 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | 46.6 | 129.4 | 138.5 | -71 | 171.2 | 11 | 0 | 0 | 124.9 | ||||
| 175 | G | 25.6 | Very low | 29.4 | Very low | 73 Ų | 73 | 152.7 Ų | 152.7 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | 137.2 | 97.6 | 124.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 176 | R | 29.3 | Very low | 29.4 | Very low | 231 Ų | 231 | 151.1 Ų | 151.1 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | 71.9 | 117.6 | 132.9 | -64.4 | -165.8 | 175.6 | -162.1 | 0 | 124.9 | ||||
| 177 | H | 30.2 | Very low | 30 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.806 | 82% | 0.824 | S | S | * | * | trans | 42.2 | 134.2 | 131.9 | -50.9 | -75.5 | 0 | 0 | 0 | 124.2 | ||||
| 178 | A | 26.4 | Very low | 30.1 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | -170.7 | 138.9 | 115.3 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 179 | S | 31.5 | Very low | 30.6 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -93.3 | 160.5 | 179.1 | -50.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 180 | G | 27 | Very low | 31.1 | Very low | 58 Ų | 58 | 138.2 Ų | 138.2 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | trans | 147.8 | 118.8 | 142 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 181 | I | 28.1 | Very low | 31.1 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | trans | 75.4 | 134.3 | 135.5 | -52.3 | 144.4 | 0 | 0 | 0 | 116.3 | ||||
| 182 | G | 24.6 | Very low | 31.1 | Very low | 60 Ų | 60 | 138.4 Ų | 138.4 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | cis | 148.3 | 128.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 183 | R | 29 | Very low | 31.6 | Very low | 248 Ų | 248 | 134.5 Ų | 134.5 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | 70 | 146.8 | 161.8 | -51.2 | -175 | 159.6 | 172.6 | -5 | 116.4 | ||||
| 184 | V | 29.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | cis | -153.1 | 162.5 | 24.6 | -81.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 185 | A | 31.6 | Very low | 32.7 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -66.9 | 145.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 186 | A | 29.1 | Very low | 33.6 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -120 | 119.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 187 | T | 44.4 | Very low | 34.5 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 126.9 | 175 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 188 | S | 31.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -167.7 | 130.8 | 145.8 | 18.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 189 | L | 42.8 | Very low | 36.4 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 97% | 0.974 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 139.4 | -171.6 | -79.8 | 108.3 | 0 | 0 | 0 | 113.8 | ||||
| 190 | G | 38.5 | Very low | 37.7 | Very low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | 150.9 | 65.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 191 | N | 31.1 | Very low | 39.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 179.7 | 107.2 | 140.2 | -108.4 | -3.5 | 0 | 0 | 0 | 110.4 | ||||
| 192 | L | 37.8 | Very low | 41.9 | Very low | 179 Ų | 179 | 117.7 Ų | 117.7 | 94% | 0.937 | 71% | 0.707 | S | S | * | * | trans | -100 | 79.7 | 172.1 | -68.6 | 167.3 | 0 | 0 | 0 | 108.5 | ||||
| 193 | T | 40.1 | Very low | 44.4 | Very low | 97 Ų | 97 | 116.4 Ų | 116.4 | 60% | 0.595 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -121.8 | 98.5 | 165.5 | 48.9 | 0 | 0 | 0 | 0 | 108.8 | H195 | T193-H195 PolarHBondContact O-N 2.81Š|
| 194 | N | 42.3 | Very low | 46.4 | Very low | 155 Ų | 155 | 110.2 Ų | 110.2 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | trans | 33.9 | 74.1 | 159.4 | -88.8 | -4.5 | 0 | 0 | 0 | 116.7 | G196 | N194-G196 VanDerWaalsContact C-N 3.27Š| ||
| 195 | H | 38 | Very low | 48.8 | Very low | 128 Ų | 128 | 105.1 Ų | 105.1 | 59% | 0.593 | 66% | 0.655 | S | S | * | * | trans | -83.8 | 5.4 | 165.8 | -73.5 | -68.8 | 0 | 0 | 0 | 113.8 | T193 S197 | T193-H195 PolarHBondContact O-N 2.81Å; H195-S197 VanDerWaalsContact C-N 3.27Å; H195-S197 PolarHBondContact O-N 2.99Å | ||
| 196 | G | 43.2 | Very low | 51.3 | Low | 71 Ų | 71 | 102.5 Ų | 102.5 | 73% | 0.732 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -6.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | N194 | N194-G196 VanDerWaalsContact C-N 3.27Š|
| 197 | S | 48.5 | Very low | 54 | Low | 40 Ų | 40 | 99.4 Ų | 99.4 | 28% | 0.28 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.8 | 4.6 | 179.9 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | H195 D199 | H195-S197 VanDerWaalsContact C-N 3.27Å; H195-S197 PolarHBondContact O-N 2.99Å; S197-D199 VanDerWaalsContact C-N 3.31Å |
| 198 | E | 44.9 | Very low | 56 | Low | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -78.4 | -16.5 | 175.2 | -71.7 | -88.8 | 133.4 | 0 | 0 | 112.3 | K216 | E198-K216 IonicContact OE1-NZ 2.64Å; E198-K216 PolarHBondContact OE1-NZ 3.31Å |
| 199 | D | 51.3 | Low | 58.6 | Low | 146 Ų | 146 | 93.1 Ų | 93.1 | 78% | 0.781 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -93.6 | -0.7 | -174.4 | -67.8 | -34.8 | 0 | 0 | 0 | 114.7 | S197 | S197-D199 VanDerWaalsContact C-N 3.31Š|
| 200 | L | 60.1 | Low | 60.6 | Low | 79 Ų | 79 | 90.7 Ų | 90.7 | 41% | 0.414 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -93.2 | 120.2 | 176 | -71.6 | 95.5 | 0 | 0 | 0 | 110.2 | L202 L232 | L200-L202 PolarHBondContact O-N 3.38Å; L200-L232 HydrophobicContact CD2-CB 4.29Å |
| 201 | P | 68.4 | Low | 62.7 | Low | 104 Ų | 104 | 89 Ų | 89 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 133.3 | 178 | 26 | -32.9 | 0 | 0 | 0 | 110.2 | L232 | P201-L232 WeakPolarHBondContact O-CD1 3.48Š|
| 202 | L | 74.6 | Confident | 64.6 | Low | 67 Ų | 67 | 92.2 Ų | 92.2 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 137.8 | 173.7 | -68.6 | 164.1 | 0 | 0 | 0 | 109.7 | L200 W206 V208 Y218 H230 | L200-L202 PolarHBondContact O-N 3.38Å; L202-W206 HydrophobicContact CB-CB 4.16Å; L202-W206 HydrophobicContact CD2-CB 4.32Å; L202-V208 HydrophobicContact CD1-CG2 3.69Å; L202-V208 HydrophobicContact CD2-CG2 3.82Å; L202-V208 HydrophobicContact CG-CG2 4.33Å; L202-Y218 HydrophobicContact CD2-CD1 3.83Å; L202-Y218 HydrophobicContact CD2-CE1 4.01Å; L202-H230 WeakPolarHBondContact CD2-NE2 3.47Å |
| 203 | P | 76.9 | Confident | 66.4 | Low | 33 Ų | 33 | 95.2 Ų | 95.2 | 21% | 0.214 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -59 | 156.1 | 171.4 | -21.6 | 32.5 | 0 | 0 | 0 | 111.6 | G205 W206 P231 L232 | P203-G205 PolarHBondContact O-N 3.45Å; P203-W206 HydrophobicContact CB-CG 4.38Å; P203-W206 WeakPolarHBondContact O-CB 3.39Å; P203-W206 PolarHBondContact O-N 3.03Å; P203-P231 HydrophobicContact CG-CB 4.12Å; P203-P231 HydrophobicContact CG-CG 3.69Å; P203-L232 HydrophobicContact CG-CD2 4.03Å; P203-L232 HydrophobicContact CG-CG 4.08Å |
| 204 | P | 71.3 | Confident | 67.9 | Low | 118 Ų | 118 | 93.1 Ų | 93.1 | 77% | 0.766 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 131.5 | 176.9 | -25.6 | 34.4 | 0 | 0 | 0 | 112.1 | N222 | P204-N222 PolarHBondContact O-ND2 3.46Š|
| 205 | G | 79.3 | Confident | 69.6 | Low | 33 Ų | 33 | 92.7 Ų | 92.7 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 8.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P203 H221 | P203-G205 PolarHBondContact O-N 3.45Å; G205-H221 WeakPolarHBondContact O-CA 3.34Å; G205-H221 WeakPolarHBondContact O-CB 3.4Å; G205-H221 PolarHBondContact O-CD2 2.96Å; G205-H221 PolarHBondContact O-N 3.41Å |
| 206 | W | 84.3 | Confident | 71.6 | Confident | 46 Ų | 46 | 88.4 Ų | 88.4 | 17% | 0.174 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 139 | 172.1 | -70.9 | 69.2 | 0 | 0 | 0 | 111.7 | L202 P203 I219 D220 H227 P231 | L202-W206 HydrophobicContact CB-CB 4.16Å; L202-W206 HydrophobicContact CD2-CB 4.32Å; P203-W206 HydrophobicContact CB-CG 4.38Å; P203-W206 WeakPolarHBondContact O-CB 3.39Å; P203-W206 PolarHBondContact O-N 3.03Å; W206-I219 CarbonylContact C-O 3.56Å; W206-I219 VanDerWaalsContact CA-O 3.27Å; W206-I219 WeakPolarHBondContact CA-O 3.3Å; W206-D220 HydrophobicContact CD2-CB 4Å; W206-D220 HydrophobicContact CE3-CB 4.15Å; W206-D220 HydrophobicContact CH2-CB 3.84Å; W206-D220 HydrophobicContact CZ2-CB 3.63Å; W206-D220 HydrophobicContact CZ3-CB 4.09Å; W206-H227 AromaticContact CH2-CE1 3.73Å; W206-H227 AromaticContact CH2-ND1 3.44Å; W206-H227 WeakPolarHBondContact CH2-ND1 3.39Å; W206-H227 HydrophobicContact CZ3-CB 4.36Å; W206-H227 AromaticContact CZ3-ND1 3.6Å; W206-P231 HydrophobicContact CD2-CB 4.06Å; W206-P231 HydrophobicContact CD2-CG 3.6Å; W206-P231 HydrophobicContact CE3-CB 4.07Å; W206-P231 HydrophobicContact CE3-CG 3.55Å; W206-P231 HydrophobicContact CG-CG 4.16Å; W206-P231 HydrophobicContact CH2-CB 3.7Å; W206-P231 HydrophobicContact CH2-CG 4.13Å; W206-P231 HydrophobicContact CZ2-CB 3.7Å; W206-P231 HydrophobicContact CZ2-CG 4.2Å; W206-P231 HydrophobicContact CZ3-CB 3.9Å; W206-P231 HydrophobicContact CZ3-CG 3.82Å |
| 207 | S | 84.4 | Confident | 73.4 | Confident | 35 Ų | 35 | 87.3 Ų | 87.3 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 165.3 | 171.4 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | Y218 I219 H221 | S207-Y218 CarbonylContact O-C 3.58Å; S207-Y218 WeakPolarHBondContact O-CA 3.38Å; S207-I219 PolarHBondContact N-O 3.48Å; S207-I219 PolarHBondContact O-N 3.03Å; S207-I219 WeakPolarHBondContact OG-CB 3.34Å; S207-H221 WeakPolarHBondContact CB-NE2 3.46Å; S207-H221 PolarHBondContact OG-NE2 3.41Å |
| 208 | V | 86.3 | Confident | 75 | Confident | 49 Ų | 49 | 86 Ų | 86 | 30% | 0.297 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.8 | 179.7 | 172.8 | 0 | 0 | 0 | 0 | 108.4 | L202 K216 Y218 | L202-V208 HydrophobicContact CD1-CG2 3.69Å; L202-V208 HydrophobicContact CD2-CG2 3.82Å; L202-V208 HydrophobicContact CG-CG2 4.33Å; V208-K216 HydrophobicContact CG1-CD 3.65Å; V208-K216 HydrophobicContact CG1-CG 3.48Å; V208-K216 VanDerWaalsContact CG1-CG 3.48Å; V208-Y218 HydrophobicContact CG2-CD1 3.49Å; V208-Y218 VanDerWaalsContact CG2-CD1 3.49Å; V208-Y218 HydrophobicContact CG2-CE1 3.48Å; V208-Y218 VanDerWaalsContact CG2-CE1 3.48Å |
| 209 | D | 86.3 | Confident | 76.9 | Confident | 70 Ų | 70 | 82.3 Ų | 82.3 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 170.8 | 173.2 | -167.6 | 17.6 | 0 | 0 | 0 | 110.5 | Y217 I219 | D209-Y217 VanDerWaalsContact C-CD1 3.48Å; D209-Y217 VanDerWaalsContact C-CE1 3.43Å; D209-Y217 HydrophobicContact CB-CD1 4.34Å; D209-Y217 HydrophobicContact CB-CE1 3.62Å; D209-Y217 HydrophobicContact CB-CE2 4.11Å; D209-Y217 PolarHBondContact N-O 2.89Å; D209-Y217 WeakPolarHBondContact O-CD1 3.41Å; D209-Y217 PolarHBondContact O-N 3.34Å; D209-Y217 VanDerWaalsContact O-O 3.08Å; D209-Y217 PolarHBondContact OD2-OH 2.97Å; D209-I219 HydrophobicContact CB-CD1 3.9Å |
| 210 | W | 84.8 | Confident | 78.5 | Confident | 135 Ų | 135 | 75.9 Ų | 75.9 | 51% | 0.511 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.4 | -173.9 | -62.2 | 83.7 | 0 | 0 | 0 | 110.4 | G214 K216 | W210-G214 VanDerWaalsContact CE3-O 3.27Å; W210-G214 WeakPolarHBondContact CZ3-O 3.33Å; W210-K216 HydrophobicContact CD2-CB 4.15Å; W210-K216 HydrophobicContact CD2-CG 4.49Å; W210-K216 HydrophobicContact CE3-CB 3.8Å; W210-K216 HydrophobicContact CH2-CB 3.94Å; W210-K216 HydrophobicContact CH2-CD 4.43Å; W210-K216 HydrophobicContact CH2-CG 4.41Å; W210-K216 HydrophobicContact CZ2-CB 4.26Å; W210-K216 HydrophobicContact CZ2-CD 4.27Å; W210-K216 HydrophobicContact CZ2-CG 4.28Å; W210-K216 HydrophobicContact CZ3-CB 3.69Å |
| 211 | T | 82.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | trans | -66.4 | 157.9 | 169.7 | 61.9 | 0 | 0 | 0 | 0 | 110 | R213 G214 R215 Y217 W228 | T211-R213 PolarHBondContact O-N 3.46Å; T211-G214 PolarHBondContact O-N 3.44Å; T211-R215 HydrophobicContact CG2-CB 4.46Å; T211-R215 WeakPolarHBondContact CG2-O 3.28Å; T211-R215 PolarHBondContact N-O 3.08Å; T211-R215 WeakPolarHBondContact OG1-CA 3.49Å; T211-R215 VanDerWaalsContact OG1-CB 3.28Å; T211-R215 WeakPolarHBondContact OG1-CB 3.37Å; T211-R215 PolarHBondContact OG1-N 3.35Å; T211-R215 PolarHBondContact OG1-O 2.93Å; T211-R215 VanDerWaalsContact OG1-O 3.04Å; T211-Y217 HydrophobicContact CG2-CD1 3.89Å; T211-Y217 HydrophobicContact CG2-CE1 4.29Å; T211-W228 HydrophobicContact CG2-CH2 3.82Å; T211-W228 HydrophobicContact CG2-CZ3 3.81Å | ||
| 212 | M | 71.9 | Confident | 80 | Confident | 202 Ų | 202 | 77.1 Ų | 77.1 | 100% | 0.995 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -16.2 | 171.7 | -62.7 | -63.3 | -146.7 | 0 | 0 | 114.2 | ||
| 213 | R | 74.9 | Confident | 80.3 | Confident | 241 Ų | 241 | 77.8 Ų | 77.8 | 91% | 0.909 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 9.6 | 176.2 | -63.5 | -175.4 | 174.2 | -140.6 | -1 | 113.1 | T211 R215 | T211-R213 PolarHBondContact O-N 3.46Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 3.34Å |
| 214 | G | 71.7 | Confident | 80.7 | Confident | 53 Ų | 53 | 82.8 Ų | 82.8 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 71.6 | 17 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W210 T211 | W210-G214 VanDerWaalsContact CE3-O 3.27Å; W210-G214 WeakPolarHBondContact CZ3-O 3.33Å; T211-G214 PolarHBondContact O-N 3.44Å |
| 215 | R | 77.8 | Confident | 80.7 | Confident | 147 Ų | 147 | 79.8 Ų | 79.8 | 56% | 0.555 | 40% | 0.402 | S | S | * | . | trans | -90.4 | 124.2 | 174.1 | -172.2 | 177.8 | -177.3 | 178.5 | 1.8 | 110.4 | T211 R213 W228 | T211-R215 HydrophobicContact CG2-CB 4.46Å; T211-R215 WeakPolarHBondContact CG2-O 3.28Å; T211-R215 PolarHBondContact N-O 3.08Å; T211-R215 WeakPolarHBondContact OG1-CA 3.49Å; T211-R215 VanDerWaalsContact OG1-CB 3.28Å; T211-R215 WeakPolarHBondContact OG1-CB 3.37Å; T211-R215 PolarHBondContact OG1-N 3.35Å; T211-R215 PolarHBondContact OG1-O 2.93Å; T211-R215 VanDerWaalsContact OG1-O 3.04Å; R213-R215 VanDerWaalsContact C-N 3.27Å; R213-R215 PolarHBondContact O-N 3.34Å; R215-W228 HydrophobicContact CG-CE3 4.33Å; R215-W228 HydrophobicContact CG-CZ3 4.08Å | ||
| 216 | K | 81.1 | Confident | 80.9 | Confident | 38 Ų | 38 | 82.8 Ų | 82.8 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 139.2 | 174.9 | -169.8 | 178.3 | -83.6 | -171.2 | 0 | 110.9 | E198 V208 W210 | E198-K216 IonicContact OE1-NZ 2.64Å; E198-K216 PolarHBondContact OE1-NZ 3.31Å; V208-K216 HydrophobicContact CG1-CD 3.65Å; V208-K216 HydrophobicContact CG1-CG 3.48Å; V208-K216 VanDerWaalsContact CG1-CG 3.48Å; W210-K216 HydrophobicContact CD2-CB 4.15Å; W210-K216 HydrophobicContact CD2-CG 4.49Å; W210-K216 HydrophobicContact CE3-CB 3.8Å; W210-K216 HydrophobicContact CH2-CB 3.94Å; W210-K216 HydrophobicContact CH2-CD 4.43Å; W210-K216 HydrophobicContact CH2-CG 4.41Å; W210-K216 HydrophobicContact CZ2-CB 4.26Å; W210-K216 HydrophobicContact CZ2-CD 4.27Å; W210-K216 HydrophobicContact CZ2-CG 4.28Å; W210-K216 HydrophobicContact CZ3-CB 3.69Å |
| 217 | Y | 80 | Confident | 80.5 | Confident | 48 Ų | 48 | 84 Ų | 84 | 19% | 0.188 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.5 | 170.2 | 71.5 | -81.4 | 0 | 0 | 0 | 110.5 | D209 T211 I219 T226 | D209-Y217 VanDerWaalsContact C-CD1 3.48Å; D209-Y217 VanDerWaalsContact C-CE1 3.43Å; D209-Y217 HydrophobicContact CB-CD1 4.34Å; D209-Y217 HydrophobicContact CB-CE1 3.62Å; D209-Y217 HydrophobicContact CB-CE2 4.11Å; D209-Y217 PolarHBondContact N-O 2.89Å; D209-Y217 WeakPolarHBondContact O-CD1 3.41Å; D209-Y217 PolarHBondContact O-N 3.34Å; D209-Y217 VanDerWaalsContact O-O 3.08Å; D209-Y217 PolarHBondContact OD2-OH 2.97Å; T211-Y217 HydrophobicContact CG2-CD1 3.89Å; T211-Y217 HydrophobicContact CG2-CE1 4.29Å; Y217-I219 HydrophobicContact CD2-CG1 3.99Å; Y217-I219 HydrophobicContact CE2-CD1 3.8Å; Y217-I219 HydrophobicContact CE2-CG1 3.61Å; Y217-T226 HydrophobicContact CD2-CG2 4.34Å; Y217-T226 HydrophobicContact CE2-CG2 4.24Å |
| 218 | Y | 82.9 | Confident | 80.4 | Confident | 12 Ų | 12 | 89.5 Ų | 89.5 | 5% | 0.047 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.4 | -175 | -60.6 | -91 | 0 | 0 | 0 | 109.7 | L202 S207 V208 T226 H227 S229 H230 | L202-Y218 HydrophobicContact CD2-CD1 3.83Å; L202-Y218 HydrophobicContact CD2-CE1 4.01Å; S207-Y218 CarbonylContact O-C 3.58Å; S207-Y218 WeakPolarHBondContact O-CA 3.38Å; V208-Y218 HydrophobicContact CG2-CD1 3.49Å; V208-Y218 VanDerWaalsContact CG2-CD1 3.49Å; V208-Y218 HydrophobicContact CG2-CE1 3.48Å; V208-Y218 VanDerWaalsContact CG2-CE1 3.48Å; Y218-T226 CarbonylContact O-C 3.53Å; Y218-T226 WeakPolarHBondContact O-CA 3.43Å; Y218-H227 PolarHBondContact N-O 2.64Å; Y218-H227 PolarHBondContact O-N 3.1Å; Y218-S229 WeakPolarHBondContact CD2-O 3.46Å; Y218-H230 HydrophobicContact CE1-CB 3.96Å; Y218-H230 AromaticContact CE1-CD2 3.25Å; Y218-H230 WeakPolarHBondContact CE1-CD2 3.35Å; Y218-H230 AromaticContact CE1-CG 3.85Å; Y218-H230 HydrophobicContact CE2-CB 4.06Å; Y218-H230 VanDerWaalsContact CE2-N 3.33Å; Y218-H230 AromaticContact CZ-CD2 3.71Å |
| 219 | I | 85.1 | Confident | 79.8 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 18% | 0.179 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.3 | -178.3 | -53.6 | 170.8 | 0 | 0 | 0 | 107.7 | W206 S207 D209 Y217 T226 | W206-I219 CarbonylContact C-O 3.56Å; W206-I219 VanDerWaalsContact CA-O 3.27Å; W206-I219 WeakPolarHBondContact CA-O 3.3Å; S207-I219 PolarHBondContact N-O 3.48Å; S207-I219 PolarHBondContact O-N 3.03Å; S207-I219 WeakPolarHBondContact OG-CB 3.34Å; D209-I219 HydrophobicContact CB-CD1 3.9Å; Y217-I219 HydrophobicContact CD2-CG1 3.99Å; Y217-I219 HydrophobicContact CE2-CD1 3.8Å; Y217-I219 HydrophobicContact CE2-CG1 3.61Å; I219-T226 HydrophobicContact CG1-CG2 4.32Å |
| 220 | D | 84.7 | Confident | 79.2 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 6% | 0.064 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 106.3 | 172.2 | -178.8 | 9.1 | 0 | 0 | 0 | 109.3 | W206 N222 T223 N224 T225 | W206-D220 HydrophobicContact CD2-CB 4Å; W206-D220 HydrophobicContact CE3-CB 4.15Å; W206-D220 HydrophobicContact CH2-CB 3.84Å; W206-D220 HydrophobicContact CZ2-CB 3.63Å; W206-D220 HydrophobicContact CZ3-CB 4.09Å; D220-N222 VanDerWaalsContact C-N 3.25Å; D220-N222 PolarHBondContact O-N 3.43Å; D220-N222 WeakPolarHBondContact OD1-CB 3.23Å; D220-N222 PolarHBondContact OD1-N 3.5Å; D220-N222 PolarHBondContact OD1-ND2 3.17Å; D220-T223 VanDerWaalsContact CG-OG1 3.27Å; D220-T223 WeakPolarHBondContact OD2-CB 3.38Å; D220-T223 WeakPolarHBondContact OD2-CG2 3.45Å; D220-T223 PolarHBondContact OD2-OG1 2.98Å; D220-N224 WeakPolarHBondContact O-CA 3.29Å; D220-N224 PolarHBondContact O-N 3.29Å; D220-T225 PolarHBondContact N-O 2.95Å; D220-T225 PolarHBondContact O-N 3.02Å; D220-T225 VanDerWaalsContact O-N 3.16Å |
| 221 | H | 81 | Confident | 78.1 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 46% | 0.458 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.1 | 176.6 | -58.7 | -65.9 | 0 | 0 | 0 | 113.1 | G205 S207 | G205-H221 WeakPolarHBondContact O-CA 3.34Å; G205-H221 WeakPolarHBondContact O-CB 3.4Å; G205-H221 PolarHBondContact O-CD2 2.96Å; G205-H221 PolarHBondContact O-N 3.41Å; S207-H221 WeakPolarHBondContact CB-NE2 3.46Å; S207-H221 PolarHBondContact OG-NE2 3.41Å |
| 222 | N | 78.1 | Confident | 77 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -35.7 | 176.1 | -52.2 | -65.3 | 0 | 0 | 0 | 111 | P204 D220 | P204-N222 PolarHBondContact O-ND2 3.46Å; D220-N222 VanDerWaalsContact C-N 3.25Å; D220-N222 PolarHBondContact O-N 3.43Å; D220-N222 WeakPolarHBondContact OD1-CB 3.23Å; D220-N222 PolarHBondContact OD1-N 3.5Å; D220-N222 PolarHBondContact OD1-ND2 3.17Å |
| 223 | T | 80.7 | Confident | 76.5 | Confident | 81 Ų | 81 | 75.8 Ų | 75.8 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -3.3 | -179.6 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | D220 T225 | D220-T223 VanDerWaalsContact CG-OG1 3.27Å; D220-T223 WeakPolarHBondContact OD2-CB 3.38Å; D220-T223 WeakPolarHBondContact OD2-CG2 3.45Å; D220-T223 PolarHBondContact OD2-OG1 2.98Å; T223-T225 VanDerWaalsContact C-N 3.3Å; T223-T225 PolarHBondContact O-N 3.3Å; T223-T225 PolarHBondContact OG1-OG1 3.32Å |
| 224 | N | 85.6 | Confident | 75.5 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 44.5 | -173.7 | -61.5 | -53.3 | 0 | 0 | 0 | 112.8 | D220 | D220-N224 WeakPolarHBondContact O-CA 3.29Å; D220-N224 PolarHBondContact O-N 3.29Å |
| 225 | T | 71.1 | Confident | 74.7 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 159.9 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | D220 T223 H227 | D220-T225 PolarHBondContact N-O 2.95Å; D220-T225 PolarHBondContact O-N 3.02Å; D220-T225 VanDerWaalsContact O-N 3.16Å; T223-T225 VanDerWaalsContact C-N 3.3Å; T223-T225 PolarHBondContact O-N 3.3Å; T223-T225 PolarHBondContact OG1-OG1 3.32Å; T225-H227 PolarHBondContact OG1-CE1 3.35Å |
| 226 | T | 84.9 | Confident | 73.6 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138 | 179.3 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | Y217 Y218 I219 | Y217-T226 HydrophobicContact CD2-CG2 4.34Å; Y217-T226 HydrophobicContact CE2-CG2 4.24Å; Y218-T226 CarbonylContact O-C 3.53Å; Y218-T226 WeakPolarHBondContact O-CA 3.43Å; I219-T226 HydrophobicContact CG1-CG2 4.32Å |
| 227 | H | 75.8 | Confident | 72.9 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.5 | -175.2 | -61.5 | 91.8 | 0 | 0 | 0 | 111.1 | W206 Y218 T225 S229 | W206-H227 AromaticContact CH2-CE1 3.73Å; W206-H227 AromaticContact CH2-ND1 3.44Å; W206-H227 WeakPolarHBondContact CH2-ND1 3.39Å; W206-H227 HydrophobicContact CZ3-CB 4.36Å; W206-H227 AromaticContact CZ3-ND1 3.6Å; Y218-H227 PolarHBondContact N-O 2.64Å; Y218-H227 PolarHBondContact O-N 3.1Å; T225-H227 PolarHBondContact OG1-CE1 3.35Å; H227-S229 VanDerWaalsContact C-N 3.34Å |
| 228 | W | 81.7 | Confident | 72.3 | Confident | 151 Ų | 151 | 72.2 Ų | 72.2 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -86.1 | -7.1 | 176.6 | -66.2 | 110.3 | 0 | 0 | 0 | 113.8 | T211 R215 | T211-W228 HydrophobicContact CG2-CH2 3.82Å; T211-W228 HydrophobicContact CG2-CZ3 3.81Å; R215-W228 HydrophobicContact CG-CE3 4.33Å; R215-W228 HydrophobicContact CG-CZ3 4.08Å |
| 229 | S | 74.3 | Confident | 71.3 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 22% | 0.224 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -130.5 | 150.5 | -175.2 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | Y218 H227 E233 | Y218-S229 WeakPolarHBondContact CD2-O 3.46Å; H227-S229 VanDerWaalsContact C-N 3.34Å; S229-E233 WeakPolarHBondContact CA-OE2 3.42Å; S229-E233 WeakPolarHBondContact CB-OE2 3.48Å |
| 230 | H | 72.4 | Confident | 70.5 | Confident | 9 Ų | 9 | 77.6 Ų | 77.6 | 4% | 0.042 | 41% | 0.414 | C | S | . | . | trans | -65.1 | 140.6 | -179.9 | -166.1 | -77.7 | 0 | 0 | 0 | 109.9 | L202 Y218 L232 E233 | L202-H230 WeakPolarHBondContact CD2-NE2 3.47Å; Y218-H230 HydrophobicContact CE1-CB 3.96Å; Y218-H230 AromaticContact CE1-CD2 3.25Å; Y218-H230 WeakPolarHBondContact CE1-CD2 3.35Å; Y218-H230 AromaticContact CE1-CG 3.85Å; Y218-H230 HydrophobicContact CE2-CB 4.06Å; Y218-H230 VanDerWaalsContact CE2-N 3.33Å; Y218-H230 AromaticContact CZ-CD2 3.71Å; H230-L232 VanDerWaalsContact C-N 3.25Å; H230-L232 WeakPolarHBondContact ND1-CB 3.03Å; H230-L232 PolarHBondContact ND1-N 2.91Å; H230-L232 PolarHBondContact O-N 3.39Å; H230-E233 HydrophobicContact CB-CB 4.21Å; H230-E233 HydrophobicContact CB-CG 3.89Å; H230-E233 PolarHBondContact N-OE2 2.83Å; H230-E233 WeakPolarHBondContact O-CB 3.33Å; H230-E233 PolarHBondContact O-N 3.05Å | ||
| 231 | P | 62.5 | Low | 70 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 19% | 0.188 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -56.2 | -40.8 | 177.1 | 20.6 | -33.4 | 0 | 0 | 0 | 112.6 | P203 W206 E233 R234 | P203-P231 HydrophobicContact CG-CB 4.12Å; P203-P231 HydrophobicContact CG-CG 3.69Å; W206-P231 HydrophobicContact CD2-CB 4.06Å; W206-P231 HydrophobicContact CD2-CG 3.6Å; W206-P231 HydrophobicContact CE3-CB 4.07Å; W206-P231 HydrophobicContact CE3-CG 3.55Å; W206-P231 HydrophobicContact CG-CG 4.16Å; W206-P231 HydrophobicContact CH2-CB 3.7Å; W206-P231 HydrophobicContact CH2-CG 4.13Å; W206-P231 HydrophobicContact CZ2-CB 3.7Å; W206-P231 HydrophobicContact CZ2-CG 4.2Å; W206-P231 HydrophobicContact CZ3-CB 3.9Å; W206-P231 HydrophobicContact CZ3-CG 3.82Å; P231-E233 VanDerWaalsContact C-N 3.34Å; P231-E233 PolarHBondContact O-N 3.25Å; P231-R234 PolarHBondContact O-N 2.92Å |
| 232 | L | 58.5 | Low | 69.9 | Low | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -77.4 | -5.7 | 175.6 | -52.1 | 177.8 | 0 | 0 | 0 | 114.8 | L200 P201 P203 H230 R234 E235 G236 | L200-L232 HydrophobicContact CD2-CB 4.29Å; P201-L232 WeakPolarHBondContact O-CD1 3.48Å; P203-L232 HydrophobicContact CG-CD2 4.03Å; P203-L232 HydrophobicContact CG-CG 4.08Å; H230-L232 VanDerWaalsContact C-N 3.25Å; H230-L232 WeakPolarHBondContact ND1-CB 3.03Å; H230-L232 PolarHBondContact ND1-N 2.91Å; H230-L232 PolarHBondContact O-N 3.39Å; L232-R234 PolarHBondContact O-N 3.43Å; L232-E235 WeakPolarHBondContact CD2-OE2 3.31Å; L232-E235 CarbonylContact O-C 3.47Å; L232-E235 WeakPolarHBondContact O-CA 3.44Å; L232-E235 PolarHBondContact O-N 3.42Å; L232-G236 PolarHBondContact O-N 3.28Å |
| 233 | E | 61.2 | Low | 70 | Confident | 97 Ų | 97 | 77.8 Ų | 77.8 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -66.2 | -18.9 | 168.5 | -90.9 | 174.1 | 160.9 | 0 | 0 | 111.5 | S229 H230 P231 E235 | S229-E233 WeakPolarHBondContact CA-OE2 3.42Å; S229-E233 WeakPolarHBondContact CB-OE2 3.48Å; H230-E233 HydrophobicContact CB-CB 4.21Å; H230-E233 HydrophobicContact CB-CG 3.89Å; H230-E233 PolarHBondContact N-OE2 2.83Å; H230-E233 WeakPolarHBondContact O-CB 3.33Å; H230-E233 PolarHBondContact O-N 3.05Å; P231-E233 VanDerWaalsContact C-N 3.34Å; P231-E233 PolarHBondContact O-N 3.25Å; E233-E235 VanDerWaalsContact C-N 3.29Å |
| 234 | R | 54.8 | Low | 69.8 | Low | 195 Ų | 195 | 75.6 Ų | 75.6 | 74% | 0.736 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -71.8 | -23.6 | 167 | -69.2 | -168.9 | 175.9 | -153.4 | -0.2 | 112.9 | P231 L232 | P231-R234 PolarHBondContact O-N 2.92Å; L232-R234 PolarHBondContact O-N 3.43Å |
| 235 | E | 54 | Low | 69.1 | Low | 151 Ų | 151 | 76.5 Ų | 76.5 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -10.4 | 178.8 | -77.5 | -178 | 161 | 0 | 0 | 113.7 | L232 E233 L237 | L232-E235 WeakPolarHBondContact CD2-OE2 3.31Å; L232-E235 CarbonylContact O-C 3.47Å; L232-E235 WeakPolarHBondContact O-CA 3.44Å; L232-E235 PolarHBondContact O-N 3.42Å; E233-E235 VanDerWaalsContact C-N 3.29Å; E235-L237 PolarHBondContact O-N 3.3Å |
| 236 | G | 56 | Low | 69 | Low | 40 Ų | 40 | 75.2 Ų | 75.2 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -77.3 | 6.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L232 | L232-G236 PolarHBondContact O-N 3.28Š|
| 237 | L | 64.6 | Low | 67.8 | Low | 24 Ų | 24 | 77.2 Ų | 77.2 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -87.2 | 137.5 | 174.1 | -71.1 | 174.7 | 0 | 0 | 0 | 109.6 | E235 W241 R243 Y253 H265 P266 | E235-L237 PolarHBondContact O-N 3.3Å; L237-W241 HydrophobicContact CB-CB 3.88Å; L237-W241 WeakPolarHBondContact CD1-O 3.36Å; L237-W241 HydrophobicContact CD2-CB 4.28Å; L237-W241 HydrophobicContact CG-CB 4.47Å; L237-R243 HydrophobicContact CD1-CB 4Å; L237-Y253 HydrophobicContact CD1-CD1 4.46Å; L237-Y253 HydrophobicContact CD2-CD1 3.65Å; L237-Y253 HydrophobicContact CD2-CE1 3.98Å; L237-H265 WeakPolarHBondContact CD2-NE2 3.35Å; L237-P266 HydrophobicContact CD2-CG 3.79Å |
| 238 | P | 67.6 | Low | 67.2 | Low | 42 Ų | 42 | 81.1 Ų | 81.1 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 152.9 | 173.9 | -18.1 | 27.6 | 0 | 0 | 0 | 111 | G240 W241 P266 | P238-G240 PolarHBondContact O-N 2.97Å; P238-G240 VanDerWaalsContact O-N 3.13Å; P238-W241 HydrophobicContact CB-CG 4.35Å; P238-W241 HydrophobicContact CG-CG 4.27Å; P238-W241 WeakPolarHBondContact O-CB 3.44Å; P238-W241 PolarHBondContact O-N 3.38Å; P238-P266 HydrophobicContact CG-CB 4.11Å; P238-P266 HydrophobicContact CG-CG 4.16Å |
| 239 | P | 63.4 | Low | 66.4 | Low | 126 Ų | 126 | 78.9 Ų | 78.9 | 82% | 0.818 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 123.5 | 178.4 | -26.9 | 34.3 | 0 | 0 | 0 | 111.8 | ||
| 240 | G | 66.8 | Low | 66.4 | Low | 35 Ų | 35 | 79 Ų | 79 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 1.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P238 H256 | P238-G240 PolarHBondContact O-N 2.97Å; P238-G240 VanDerWaalsContact O-N 3.13Å; G240-H256 WeakPolarHBondContact O-CB 3.5Å; G240-H256 PolarHBondContact O-CD2 2.96Å; G240-H256 PolarHBondContact O-N 3.26Å |
| 241 | W | 75.6 | Confident | 66.4 | Low | 48 Ų | 48 | 81.7 Ų | 81.7 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134 | 170.4 | -72.2 | 70.9 | 0 | 0 | 0 | 111.2 | L237 P238 V254 D255 Q262 P266 | L237-W241 HydrophobicContact CB-CB 3.88Å; L237-W241 WeakPolarHBondContact CD1-O 3.36Å; L237-W241 HydrophobicContact CD2-CB 4.28Å; L237-W241 HydrophobicContact CG-CB 4.47Å; P238-W241 HydrophobicContact CB-CG 4.35Å; P238-W241 HydrophobicContact CG-CG 4.27Å; P238-W241 WeakPolarHBondContact O-CB 3.44Å; P238-W241 PolarHBondContact O-N 3.38Å; W241-V254 CarbonylContact C-O 3.53Å; W241-V254 WeakPolarHBondContact CA-O 3.31Å; W241-D255 HydrophobicContact CD2-CB 3.86Å; W241-D255 HydrophobicContact CE3-CB 4.06Å; W241-D255 HydrophobicContact CH2-CB 3.88Å; W241-D255 HydrophobicContact CZ2-CB 3.66Å; W241-D255 WeakPolarHBondContact CZ2-OD2 3.49Å; W241-D255 HydrophobicContact CZ3-CB 4.07Å; W241-Q262 VanDerWaalsContact CH2-CD 3.43Å; W241-Q262 HydrophobicContact CH2-CG 4.05Å; W241-Q262 VanDerWaalsContact CZ3-CD 3.47Å; W241-Q262 HydrophobicContact CZ3-CG 3.64Å; W241-P266 HydrophobicContact CD2-CB 3.78Å; W241-P266 HydrophobicContact CD2-CG 3.73Å; W241-P266 HydrophobicContact CE3-CB 3.71Å; W241-P266 HydrophobicContact CE3-CG 3.52Å; W241-P266 HydrophobicContact CG-CG 4.19Å; W241-P266 HydrophobicContact CH2-CB 3.86Å; W241-P266 HydrophobicContact CZ2-CB 3.94Å; W241-P266 HydrophobicContact CZ3-CB 3.75Å; W241-P266 HydrophobicContact CZ3-CG 3.98Å |
| 242 | E | 79.2 | Confident | 67.3 | Low | 97 Ų | 97 | 82.9 Ų | 82.9 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.4 | 178.2 | -177.4 | 179.4 | -163.9 | 0 | 0 | 110 | V244 Y253 V254 H256 | E242-V244 HydrophobicContact CG-CG2 4.13Å; E242-Y253 CarbonylContact O-C 3.56Å; E242-Y253 WeakPolarHBondContact O-CA 3.43Å; E242-V254 PolarHBondContact N-O 2.91Å; E242-V254 PolarHBondContact O-N 3.43Å; E242-H256 WeakPolarHBondContact CB-NE2 3.46Å; E242-H256 IonicContact OE2-CD2 2.67Å; E242-H256 IonicContact OE2-CE1 3.84Å; E242-H256 PolarHBondContact OE2-CE1 3.03Å; E242-H256 IonicContact OE2-NE2 3.38Å; E242-H256 PolarHBondContact OE2-NE2 3.26Å |
| 243 | R | 78.6 | Confident | 68.4 | Low | 78 Ų | 78 | 83 Ų | 83 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120 | 169.5 | -177.2 | -173.2 | 71.5 | 169.9 | 4 | 109.1 | L237 T251 Y253 | L237-R243 HydrophobicContact CD1-CB 4Å; R243-T251 HydrophobicContact CG-CG2 3.62Å; R243-Y253 HydrophobicContact CB-CD1 3.89Å; R243-Y253 HydrophobicContact CB-CE1 3.89Å; R243-Y253 HydrophobicContact CG-CD1 4.06Å; R243-Y253 HydrophobicContact CG-CE1 3.73Å |
| 244 | V | 77.5 | Confident | 69.4 | Low | 36 Ų | 36 | 79.6 Ų | 79.6 | 22% | 0.218 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.6 | 178.4 | -175 | 0 | 0 | 0 | 0 | 109.5 | E242 T251 Y252 V254 | E242-V244 HydrophobicContact CG-CG2 4.13Å; V244-T251 WeakPolarHBondContact O-CA 3.42Å; V244-Y252 HydrophobicContact CB-CD2 4.22Å; V244-Y252 HydrophobicContact CB-CE1 4.14Å; V244-Y252 HydrophobicContact CB-CE2 3.76Å; V244-Y252 HydrophobicContact CG1-CE1 3.97Å; V244-Y252 HydrophobicContact CG1-CE2 4.08Å; V244-Y252 WeakPolarHBondContact CG1-OH 3.43Å; V244-Y252 HydrophobicContact CG2-CE2 4.29Å; V244-Y252 PolarHBondContact N-O 3.02Å; V244-Y252 PolarHBondContact O-N 3.32Å; V244-Y252 VanDerWaalsContact O-O 3.06Å; V244-V254 HydrophobicContact CB-CG2 4.35Å; V244-V254 HydrophobicContact CG2-CB 4.34Å; V244-V254 HydrophobicContact CG2-CG2 3.66Å |
| 245 | E | 71.4 | Confident | 70.7 | Confident | 157 Ų | 157 | 70.6 Ų | 70.6 | 73% | 0.734 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 113.6 | 173.6 | -171.9 | 172.9 | -168.2 | 0 | 0 | 108.4 | ||
| 246 | S | 68.6 | Low | 71.6 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.3 | 174.7 | 175 | 0 | 0 | 0 | 0 | 110.1 | E248 G250 | S246-E248 PolarHBondContact O-N 3.49Å; S246-E248 PolarHBondContact OG-N 3.38Å; S246-G250 PolarHBondContact N-O 3.49Å; S246-G250 VanDerWaalsContact O-CA 3.25Å; S246-G250 WeakPolarHBondContact O-CA 3.32Å; S246-G250 PolarHBondContact O-N 3.23Å |
| 247 | S | 58.8 | Low | 72.4 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 97% | 0.965 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.1 | 174.1 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 248 | E | 63.1 | Low | 73 | Confident | 152 Ų | 152 | 73.3 Ų | 73.3 | 71% | 0.71 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -38 | -179.4 | -174 | 177.9 | 176.2 | 0 | 0 | 112.6 | S246 | S246-E248 PolarHBondContact O-N 3.49Å; S246-E248 PolarHBondContact OG-N 3.38Å |
| 249 | F | 65.2 | Low | 73.7 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 0.8 | -172.5 | -59.5 | -76.3 | 0 | 0 | 0 | 113.8 | Y252 Y263 | F249-Y252 HydrophobicContact CB-CD1 4.22Å; F249-Y252 HydrophobicContact CB-CE1 4.23Å; F249-Y263 WeakPolarHBondContact O-CE1 3.05Å |
| 250 | G | 75.2 | Confident | 74.5 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 36% | 0.361 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.2 | -152.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S246 | S246-G250 PolarHBondContact N-O 3.49Å; S246-G250 VanDerWaalsContact O-CA 3.25Å; S246-G250 WeakPolarHBondContact O-CA 3.32Å; S246-G250 PolarHBondContact O-N 3.23Å |
| 251 | T | 71.8 | Confident | 75.1 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 39% | 0.393 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.7 | -179.5 | -46.6 | 0 | 0 | 0 | 0 | 111.3 | R243 V244 | R243-T251 HydrophobicContact CG-CG2 3.62Å; V244-T251 WeakPolarHBondContact O-CA 3.42Å |
| 252 | Y | 80.8 | Confident | 75.4 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 22% | 0.216 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 162.1 | 173.2 | 61.8 | -85.5 | 0 | 0 | 0 | 111.6 | V244 F249 V254 A261 | V244-Y252 HydrophobicContact CB-CD2 4.22Å; V244-Y252 HydrophobicContact CB-CE1 4.14Å; V244-Y252 HydrophobicContact CB-CE2 3.76Å; V244-Y252 HydrophobicContact CG1-CE1 3.97Å; V244-Y252 HydrophobicContact CG1-CE2 4.08Å; V244-Y252 WeakPolarHBondContact CG1-OH 3.43Å; V244-Y252 HydrophobicContact CG2-CE2 4.29Å; V244-Y252 PolarHBondContact N-O 3.02Å; V244-Y252 PolarHBondContact O-N 3.32Å; V244-Y252 VanDerWaalsContact O-O 3.06Å; F249-Y252 HydrophobicContact CB-CD1 4.22Å; F249-Y252 HydrophobicContact CB-CE1 4.23Å; Y252-V254 HydrophobicContact CD2-CG2 3.61Å; Y252-V254 HydrophobicContact CE2-CG2 3.38Å; Y252-A261 HydrophobicContact CD2-CB 4.1Å; Y252-A261 HydrophobicContact CE2-CB 4.44Å |
| 253 | Y | 82.4 | Confident | 75.4 | Confident | 39 Ų | 39 | 85.6 Ų | 85.6 | 15% | 0.153 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.7 | -177.8 | -56.8 | -88.7 | 0 | 0 | 0 | 109.5 | L237 E242 R243 A261 Q262 H265 | L237-Y253 HydrophobicContact CD1-CD1 4.46Å; L237-Y253 HydrophobicContact CD2-CD1 3.65Å; L237-Y253 HydrophobicContact CD2-CE1 3.98Å; E242-Y253 CarbonylContact O-C 3.56Å; E242-Y253 WeakPolarHBondContact O-CA 3.43Å; R243-Y253 HydrophobicContact CB-CD1 3.89Å; R243-Y253 HydrophobicContact CB-CE1 3.89Å; R243-Y253 HydrophobicContact CG-CD1 4.06Å; R243-Y253 HydrophobicContact CG-CE1 3.73Å; Y253-A261 CarbonylContact O-C 3.59Å; Y253-A261 WeakPolarHBondContact O-CA 3.4Å; Y253-Q262 PolarHBondContact N-O 3.03Å; Y253-Q262 PolarHBondContact O-N 3.43Å; Y253-H265 AromaticContact CE1-CD2 3.4Å; Y253-H265 WeakPolarHBondContact CE1-CD2 3.5Å; Y253-H265 HydrophobicContact CE2-CB 4.01Å; Y253-H265 AromaticContact CZ-CD2 3.54Å |
| 254 | V | 81.6 | Confident | 75 | Confident | 26 Ų | 26 | 88 Ų | 88 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.3 | -179.1 | -178.3 | 0 | 0 | 0 | 0 | 109 | W241 E242 V244 Y252 K260 A261 | W241-V254 CarbonylContact C-O 3.53Å; W241-V254 WeakPolarHBondContact CA-O 3.31Å; E242-V254 PolarHBondContact N-O 2.91Å; E242-V254 PolarHBondContact O-N 3.43Å; V244-V254 HydrophobicContact CB-CG2 4.35Å; V244-V254 HydrophobicContact CG2-CB 4.34Å; V244-V254 HydrophobicContact CG2-CG2 3.66Å; Y252-V254 HydrophobicContact CD2-CG2 3.61Å; Y252-V254 HydrophobicContact CE2-CG2 3.38Å; V254-K260 CarbonylContact C-O 3.52Å; V254-K260 WeakPolarHBondContact CA-O 3.49Å; V254-A261 HydrophobicContact CG2-CB 4.24Å |
| 255 | D | 81.5 | Confident | 74.8 | Confident | 6 Ų | 6 | 88.9 Ų | 88.9 | 3% | 0.032 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 108.9 | 167.5 | -175 | -9.9 | 0 | 0 | 0 | 109.2 | W241 T257 N258 K259 K260 | W241-D255 HydrophobicContact CD2-CB 3.86Å; W241-D255 HydrophobicContact CE3-CB 4.06Å; W241-D255 HydrophobicContact CH2-CB 3.88Å; W241-D255 HydrophobicContact CZ2-CB 3.66Å; W241-D255 WeakPolarHBondContact CZ2-OD2 3.49Å; W241-D255 HydrophobicContact CZ3-CB 4.07Å; D255-T257 VanDerWaalsContact C-N 3.29Å; D255-T257 WeakPolarHBondContact OD1-CA 3.32Å; D255-T257 WeakPolarHBondContact OD1-CB 3.08Å; D255-T257 PolarHBondContact OD1-N 3.36Å; D255-T257 PolarHBondContact OD1-OG1 3.32Å; D255-T257 PolarHBondContact OD2-OG1 2.93Å; D255-N258 PolarHBondContact OD1-N 3.44Å; D255-N258 WeakPolarHBondContact OD2-CB 3.29Å; D255-N258 PolarHBondContact OD2-ND2 2.89Å; D255-K259 VanDerWaalsContact O-CA 3.26Å; D255-K259 WeakPolarHBondContact O-CA 3.29Å; D255-K259 PolarHBondContact O-N 2.9Å; D255-K260 PolarHBondContact N-O 3.48Å; D255-K260 PolarHBondContact O-N 3.16Å; D255-K260 VanDerWaalsContact O-N 3.15Å |
| 256 | H | 73.8 | Confident | 74.6 | Confident | 80 Ų | 80 | 83.2 Ų | 83.2 | 37% | 0.37 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.1 | 178.2 | -71.8 | -80.5 | 0 | 0 | 0 | 113.6 | G240 E242 K259 | G240-H256 WeakPolarHBondContact O-CB 3.5Å; G240-H256 PolarHBondContact O-CD2 2.96Å; G240-H256 PolarHBondContact O-N 3.26Å; E242-H256 WeakPolarHBondContact CB-NE2 3.46Å; E242-H256 IonicContact OE2-CD2 2.67Å; E242-H256 IonicContact OE2-CE1 3.84Å; E242-H256 PolarHBondContact OE2-CE1 3.03Å; E242-H256 IonicContact OE2-NE2 3.38Å; E242-H256 PolarHBondContact OE2-NE2 3.26Å; H256-K259 WeakPolarHBondContact O-CE 3.36Å; H256-K259 PolarHBondContact O-NZ 3.5Å |
| 257 | T | 73.9 | Confident | 74.3 | Confident | 91 Ų | 91 | 85.7 Ų | 85.7 | 56% | 0.558 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -39.7 | 177.9 | 70.1 | 0 | 0 | 0 | 0 | 111 | D255 | D255-T257 VanDerWaalsContact C-N 3.29Å; D255-T257 WeakPolarHBondContact OD1-CA 3.32Å; D255-T257 WeakPolarHBondContact OD1-CB 3.08Å; D255-T257 PolarHBondContact OD1-N 3.36Å; D255-T257 PolarHBondContact OD1-OG1 3.32Å; D255-T257 PolarHBondContact OD2-OG1 2.93Å |
| 258 | N | 77.3 | Confident | 74.5 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -0.5 | 179.5 | -67.1 | -60.2 | 0 | 0 | 0 | 114.4 | D255 K260 | D255-N258 PolarHBondContact OD1-N 3.44Å; D255-N258 WeakPolarHBondContact OD2-CB 3.29Å; D255-N258 PolarHBondContact OD2-ND2 2.89Å; N258-K260 VanDerWaalsContact C-N 3.27Å; N258-K260 HydrophobicContact CB-CD 4.39Å; N258-K260 HydrophobicContact CB-CG 4.4Å; N258-K260 PolarHBondContact O-N 3.36Å |
| 259 | K | 81.8 | Confident | 73.9 | Confident | 166 Ų | 166 | 78.5 Ų | 78.5 | 72% | 0.722 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 45.3 | -174.4 | -56.7 | -56.6 | -176.6 | -157.2 | 0 | 112.4 | D255 H256 | D255-K259 VanDerWaalsContact O-CA 3.26Å; D255-K259 WeakPolarHBondContact O-CA 3.29Å; D255-K259 PolarHBondContact O-N 2.9Å; H256-K259 WeakPolarHBondContact O-CE 3.36Å; H256-K259 PolarHBondContact O-NZ 3.5Å |
| 260 | K | 78.8 | Confident | 73.1 | Confident | 145 Ų | 145 | 78.6 Ų | 78.6 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149 | 179.9 | -72.9 | -179.3 | -177.3 | -178.2 | 0 | 110.8 | V254 D255 N258 | V254-K260 CarbonylContact C-O 3.52Å; V254-K260 WeakPolarHBondContact CA-O 3.49Å; D255-K260 PolarHBondContact N-O 3.48Å; D255-K260 PolarHBondContact O-N 3.16Å; D255-K260 VanDerWaalsContact O-N 3.15Å; N258-K260 VanDerWaalsContact C-N 3.27Å; N258-K260 HydrophobicContact CB-CD 4.39Å; N258-K260 HydrophobicContact CB-CG 4.4Å; N258-K260 PolarHBondContact O-N 3.36Å |
| 261 | A | 81.3 | Confident | 71.9 | Confident | 68 Ų | 68 | 81.7 Ų | 81.7 | 56% | 0.562 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y252 Y253 V254 | Y252-A261 HydrophobicContact CD2-CB 4.1Å; Y252-A261 HydrophobicContact CE2-CB 4.44Å; Y253-A261 CarbonylContact O-C 3.59Å; Y253-A261 WeakPolarHBondContact O-CA 3.4Å; V254-A261 HydrophobicContact CG2-CB 4.24Å |
| 262 | Q | 80.6 | Confident | 70.6 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.8 | 177 | 57.5 | 178.9 | 55.9 | 0 | 0 | 111.2 | W241 Y253 R264 | W241-Q262 VanDerWaalsContact CH2-CD 3.43Å; W241-Q262 HydrophobicContact CH2-CG 4.05Å; W241-Q262 VanDerWaalsContact CZ3-CD 3.47Å; W241-Q262 HydrophobicContact CZ3-CG 3.64Å; Y253-Q262 PolarHBondContact N-O 3.03Å; Y253-Q262 PolarHBondContact O-N 3.43Å; Q262-R264 VanDerWaalsContact C-N 3.34Å; Q262-R264 WeakPolarHBondContact CG-O 3.34Å; Q262-R264 PolarHBondContact NE2-O 3.25Å |
| 263 | Y | 78.9 | Confident | 68.8 | Low | 154 Ų | 154 | 90.5 Ų | 90.5 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -76.2 | -25 | 176.7 | -68.8 | -73 | 0 | 0 | 0 | 113 | F249 | F249-Y263 WeakPolarHBondContact O-CE1 3.05Š|
| 264 | R | 70.6 | Confident | 66.8 | Low | 127 Ų | 127 | 98.9 Ų | 98.9 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -82.7 | 137.4 | -179.9 | -167.1 | 177.9 | -172.1 | 147.2 | 9.4 | 110 | Q262 A268 P269 | Q262-R264 VanDerWaalsContact C-N 3.34Å; Q262-R264 WeakPolarHBondContact CG-O 3.34Å; Q262-R264 PolarHBondContact NE2-O 3.25Å; R264-A268 HydrophobicContact CG-CB 3.87Å; R264-P269 PolarHBondContact NH2-O 3.4Å |
| 265 | H | 72.9 | Confident | 65 | Low | 55 Ų | 55 | 105 Ų | 105 | 26% | 0.255 | 54% | 0.538 | S | S | . | . | trans | -60.4 | 135 | 173.9 | -170.2 | -82.2 | 0 | 0 | 0 | 110.4 | L237 Y253 C267 A268 | L237-H265 WeakPolarHBondContact CD2-NE2 3.35Å; Y253-H265 AromaticContact CE1-CD2 3.4Å; Y253-H265 WeakPolarHBondContact CE1-CD2 3.5Å; Y253-H265 HydrophobicContact CE2-CB 4.01Å; Y253-H265 AromaticContact CZ-CD2 3.54Å; H265-C267 PolarHBondContact ND1-N 2.97Å; H265-C267 VanDerWaalsContact ND1-N 3.1Å; H265-C267 PolarHBondContact O-N 3.22Å; H265-C267 VanDerWaalsContact O-N 3.12Å; H265-A268 HydrophobicContact CB-CB 4.1Å; H265-A268 VanDerWaalsContact O-CB 3.31Å; H265-A268 WeakPolarHBondContact O-CB 3.46Å; H265-A268 PolarHBondContact O-N 2.91Å | ||
| 266 | P | 67.9 | Low | 63.1 | Low | 38 Ų | 38 | 111.9 Ų | 111.9 | 25% | 0.247 | 57% | 0.57 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -55.9 | -30.6 | -177.8 | 18.8 | -31.8 | 0 | 0 | 0 | 113.7 | L237 P238 W241 | L237-P266 HydrophobicContact CD2-CG 3.79Å; P238-P266 HydrophobicContact CG-CB 4.11Å; P238-P266 HydrophobicContact CG-CG 4.16Å; W241-P266 HydrophobicContact CD2-CB 3.78Å; W241-P266 HydrophobicContact CD2-CG 3.73Å; W241-P266 HydrophobicContact CE3-CB 3.71Å; W241-P266 HydrophobicContact CE3-CG 3.52Å; W241-P266 HydrophobicContact CG-CG 4.19Å; W241-P266 HydrophobicContact CH2-CB 3.86Å; W241-P266 HydrophobicContact CZ2-CB 3.94Å; W241-P266 HydrophobicContact CZ3-CB 3.75Å; W241-P266 HydrophobicContact CZ3-CG 3.98Å |
| 267 | C | 62.4 | Low | 61.8 | Low | 80 Ų | 80 | 113.2 Ų | 113.2 | 54% | 0.541 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | 13 | 177.4 | -50 | 0 | 0 | 0 | 0 | 114.4 | H265 | H265-C267 PolarHBondContact ND1-N 2.97Å; H265-C267 VanDerWaalsContact ND1-N 3.1Å; H265-C267 PolarHBondContact O-N 3.22Å; H265-C267 VanDerWaalsContact O-N 3.12Å |
| 268 | A | 63.2 | Low | 60.4 | Low | 37 Ų | 37 | 113.9 Ų | 113.9 | 31% | 0.306 | 59% | 0.592 | S | S | . | * | trans | -72.4 | 129.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R264 H265 S270 | R264-A268 HydrophobicContact CG-CB 3.87Å; H265-A268 HydrophobicContact CB-CB 4.1Å; H265-A268 VanDerWaalsContact O-CB 3.31Å; H265-A268 WeakPolarHBondContact O-CB 3.46Å; H265-A268 PolarHBondContact O-N 2.91Å; A268-S270 PolarHBondContact O-N 3.25Å | ||
| 269 | P | 50 | Low | 58.8 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | trans | -56 | 130.5 | 177.9 | -21.1 | 29.7 | 0 | 0 | 0 | 111.4 | R264 V271 | R264-P269 PolarHBondContact NH2-O 3.4Å; P269-V271 HydrophobicContact CB-CG2 4.26Å; P269-V271 PolarHBondContact O-N 2.96Å | ||
| 270 | S | 49 | Very low | 56.9 | Low | 107 Ų | 107 | 112.6 Ų | 112.6 | 75% | 0.748 | 60% | 0.603 | S | S | * | * | trans | -76.2 | 62.9 | 177.9 | 48.5 | 0 | 0 | 0 | 0 | 112 | A268 P272 | A268-S270 PolarHBondContact O-N 3.25Å; S270-P272 WeakPolarHBondContact O-CD 3.49Å | ||
| 271 | V | 48.6 | Very low | 55.2 | Low | 101 Ų | 101 | 111.2 Ų | 111.2 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | trans | -77.8 | 124.3 | 171 | -164.3 | 0 | 0 | 0 | 0 | 108.8 | P269 R273 | P269-V271 HydrophobicContact CB-CG2 4.26Å; P269-V271 PolarHBondContact O-N 2.96Å; V271-R273 PolarHBondContact O-N 3.03Å | ||
| 272 | P | 46.2 | Very low | 53.4 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 62% | 0.621 | S | S | * | * | trans | -66.9 | 111.8 | 165.3 | -10.9 | 26.6 | 0 | 0 | 0 | 107.8 | S270 Y274 | S270-P272 WeakPolarHBondContact O-CD 3.49Å; P272-Y274 PolarHBondContact O-N 3.4Å; P272-Y274 VanDerWaalsContact O-N 3.07Å | ||
| 273 | R | 42.3 | Very low | 51.5 | Low | 203 Ų | 203 | 122.3 Ų | 122.3 | 77% | 0.766 | 64% | 0.639 | S | S | * | * | trans | -74.3 | 93.6 | 173.5 | -87.3 | -124.3 | -173.7 | 167.7 | 1.3 | 109.4 | V271 D275 | V271-R273 PolarHBondContact O-N 3.03Å; R273-D275 VanDerWaalsContact C-N 3.32Å; R273-D275 PolarHBondContact O-N 3.2Å | ||
| 274 | Y | 40.1 | Very low | 49.7 | Very low | 215 Ų | 215 | 120.9 Ų | 120.9 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -79.2 | 88.6 | 155.2 | -80 | -85.9 | 0 | 0 | 0 | 107.5 | P272 | P272-Y274 PolarHBondContact O-N 3.4Å; P272-Y274 VanDerWaalsContact O-N 3.07Å |
| 275 | D | 43.3 | Very low | 48.4 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | 160.8 | 54.1 | 156.1 | -87.3 | -20.4 | 0 | 0 | 0 | 108.9 | R273 | R273-D275 VanDerWaalsContact C-N 3.32Å; R273-D275 PolarHBondContact O-N 3.2Å | ||
| 276 | Q | 42.7 | Very low | 47.1 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 71% | 0.71 | 69% | 0.694 | S | S | * | * | trans | -113 | 116.2 | 162.5 | -145.7 | 168.5 | 9.5 | 0 | 0 | 105.5 | ||||
| 277 | P | 45.5 | Very low | 46.1 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -53.7 | 147 | 163.2 | 23.1 | -29.9 | 0 | 0 | 0 | 107.8 | ||||
| 278 | P | 45.1 | Very low | 45.5 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | trans | -52 | 146.8 | -168 | 20.8 | -32.3 | 0 | 0 | 0 | 110.7 | V280 | P278-V280 PolarHBondContact O-N 3.34Š| ||
| 279 | P | 43.6 | Very low | 45 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -56 | 113.6 | -179.4 | 23.8 | -31.7 | 0 | 0 | 0 | 107.6 | T281 | P279-T281 VanDerWaalsContact C-N 3.25Å; P279-T281 PolarHBondContact O-N 3.46Å | ||
| 280 | V | 41.4 | Very low | 45.1 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -61 | 102.7 | 167 | -167 | 0 | 0 | 0 | 0 | 103.9 | P278 Y282 | P278-V280 PolarHBondContact O-N 3.34Å; V280-Y282 VanDerWaalsContact C-N 3.33Å; V280-Y282 PolarHBondContact O-N 2.92Å | ||
| 281 | T | 43.5 | Very low | 45.7 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -59.7 | 107.9 | 168.7 | -57.6 | 0 | 0 | 0 | 0 | 103.8 | P279 Q283 | P279-T281 VanDerWaalsContact C-N 3.25Å; P279-T281 PolarHBondContact O-N 3.46Å; T281-Q283 PolarHBondContact O-N 3.26Å | ||
| 282 | Y | 42.9 | Very low | 46.5 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -64.7 | 80 | 167.2 | -89.6 | -96.7 | 0 | 0 | 0 | 106.7 | V280 | V280-Y282 VanDerWaalsContact C-N 3.33Å; V280-Y282 PolarHBondContact O-N 2.92Å | ||
| 283 | Q | 41.6 | Very low | 47.9 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | trans | -64.5 | 131.2 | 145.9 | -78.5 | -167.9 | -19.2 | 0 | 0 | 105.2 | T281 Q285 | T281-Q283 PolarHBondContact O-N 3.26Å; Q283-Q285 PolarHBondContact O-N 3.28Å | ||
| 284 | P | 41.9 | Very low | 49.7 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -64.8 | 88.5 | 166.2 | 28.1 | -29.7 | 0 | 0 | 0 | 105.6 | Q286 | P284-Q286 VanDerWaalsContact C-N 3.34Å; P284-Q286 PolarHBondContact O-N 2.92Å | ||
| 285 | Q | 41.3 | Very low | 51.7 | Low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -58.4 | 110.7 | 164.3 | -157.6 | 169.4 | 12.5 | 0 | 0 | 102.9 | Q283 T287 | Q283-Q285 PolarHBondContact O-N 3.28Å; Q285-T287 PolarHBondContact O-N 3.35Å | ||
| 286 | Q | 45.6 | Very low | 53.7 | Low | 184 Ų | 184 | 145.8 Ų | 145.8 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -54 | 96.2 | 167.1 | -73.1 | 179.6 | -12.7 | 0 | 0 | 104.4 | P284 E288 | P284-Q286 VanDerWaalsContact C-N 3.34Å; P284-Q286 PolarHBondContact O-N 2.92Å; Q286-E288 VanDerWaalsContact C-N 3.34Å; Q286-E288 PolarHBondContact O-N 3.15Å | ||
| 287 | T | 48.2 | Very low | 55.5 | Low | 125 Ų | 125 | 142.6 Ų | 142.6 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -53.8 | 109.1 | 173.8 | 26.8 | 0 | 0 | 0 | 0 | 104.2 | Q285 R289 | Q285-T287 PolarHBondContact O-N 3.35Å; T287-R289 VanDerWaalsContact C-N 3.34Å; T287-R289 PolarHBondContact O-N 3.42Å | ||
| 288 | E | 48.6 | Very low | 57.3 | Low | 159 Ų | 159 | 140.4 Ų | 140.4 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -44.2 | 109.3 | 166.5 | -76.4 | -178 | 143.5 | 0 | 0 | 105.8 | Q286 N290 | Q286-E288 VanDerWaalsContact C-N 3.34Å; Q286-E288 PolarHBondContact O-N 3.15Å; E288-N290 PolarHBondContact O-N 3.07Å | ||
| 289 | R | 53 | Low | 59 | Low | 239 Ų | 239 | 139.6 Ų | 139.6 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 29.7 | -173.5 | -156.9 | -171.6 | -174.8 | -176.3 | 2.1 | 111.4 | T287 | T287-R289 VanDerWaalsContact C-N 3.34Å; T287-R289 PolarHBondContact O-N 3.42Å |
| 290 | N | 53.7 | Low | 60.8 | Low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | 33.6 | -165.9 | -67.8 | -58.2 | 0 | 0 | 0 | 113 | E288 | E288-N290 PolarHBondContact O-N 3.07Š|
| 291 | Q | 60.4 | Low | 62.4 | Low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -112.7 | 91.4 | 151.2 | -68.5 | -172.1 | 42.3 | 0 | 0 | 107.3 | L293 | Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 2.99Å | ||
| 292 | S | 65.8 | Low | 64 | Low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -57.1 | 101.2 | 162.7 | 44.6 | 0 | 0 | 0 | 0 | 107.5 | L294 | S292-L294 VanDerWaalsContact C-N 3.35Å; S292-L294 PolarHBondContact O-N 3.37Å | ||
| 293 | L | 74.7 | Confident | 65.7 | Low | 164 Ų | 164 | 128.5 Ų | 128.5 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | trans | -62.2 | 98.1 | 169.6 | -73.9 | 166.9 | 0 | 0 | 0 | 107.4 | Q291 V295 | Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 2.99Å; L293-V295 PolarHBondContact O-N 3.24Å; L293-V295 VanDerWaalsContact O-N 3.15Å | ||
| 294 | L | 79.8 | Confident | 67.9 | Low | 152 Ų | 152 | 129.6 Ų | 129.6 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -70 | 109.7 | 175.5 | -98.4 | 87.5 | 0 | 0 | 0 | 108.6 | S292 | S292-L294 VanDerWaalsContact C-N 3.35Å; S292-L294 PolarHBondContact O-N 3.37Å | ||
| 295 | V | 83.4 | Confident | 70.3 | Confident | 132 Ų | 132 | 124.5 Ų | 124.5 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 122.2 | 164.4 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | L293 | L293-V295 PolarHBondContact O-N 3.24Å; L293-V295 VanDerWaalsContact O-N 3.15Å |
| 296 | P | 84.7 | Confident | 72.8 | Confident | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.8 | 178.3 | 24.6 | -31.9 | 0 | 0 | 0 | 110.5 | ||
| 297 | A | 80.9 | Confident | 75 | Confident | 85 Ų | 85 | 115 Ų | 115 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 151.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | P299 | A297-P299 WeakPolarHBondContact O-CD 3.5Å; A297-P299 VanDerWaalsContact O-N 3.11Å |
| 298 | N | 82.2 | Confident | 77.2 | Confident | 62 Ų | 62 | 113.7 Ų | 113.7 | 33% | 0.332 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 119.3 | 179.1 | -179.9 | 7.4 | 0 | 0 | 0 | 110.5 | Y300 H301 | N298-Y300 PolarHBondContact O-N 2.95Å; N298-Y300 VanDerWaalsContact O-N 3.07Å; N298-Y300 WeakPolarHBondContact OD1-CD2 3.13Å; N298-Y300 PolarHBondContact OD1-N 3.42Å; N298-H301 PolarHBondContact ND2-NE2 2.87Å; N298-H301 PolarHBondContact O-N 3.43Å; N298-H301 VanDerWaalsContact O-N 3.16Å |
| 299 | P | 81.1 | Confident | 79.4 | Confident | 88 Ų | 88 | 106.1 Ų | 106.1 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -63.2 | -20.1 | -173.4 | 24.8 | -35.8 | 0 | 0 | 0 | 113.2 | A297 H301 | A297-P299 WeakPolarHBondContact O-CD 3.5Å; A297-P299 VanDerWaalsContact O-N 3.11Å; P299-H301 VanDerWaalsContact C-N 3.3Å; P299-H301 PolarHBondContact O-N 2.98Å |
| 300 | Y | 81.4 | Confident | 81.3 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 22% | 0.216 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -81 | -8.2 | -177.9 | -49.9 | -56.1 | 0 | 0 | 0 | 113.7 | N298 T302 A303 T335 M339 L342 | N298-Y300 PolarHBondContact O-N 2.95Å; N298-Y300 VanDerWaalsContact O-N 3.07Å; N298-Y300 WeakPolarHBondContact OD1-CD2 3.13Å; N298-Y300 PolarHBondContact OD1-N 3.42Å; Y300-T302 PolarHBondContact O-N 3.07Å; Y300-A303 PolarHBondContact O-N 3.34Å; Y300-T335 HydrophobicContact CE1-CG2 4.01Å; Y300-M339 HydrophobicContact CD1-CE 4.45Å; Y300-M339 HydrophobicContact CD1-CG 4.22Å; Y300-M339 HydrophobicContact CG-CG 4.44Å; Y300-L342 WeakPolarHBondContact O-CD2 3.41Å |
| 301 | H | 75.8 | Confident | 83.2 | Confident | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -65.5 | -28.5 | 178.4 | -71.9 | -179.6 | 0 | 0 | 0 | 113.1 | N298 P299 L342 | N298-H301 PolarHBondContact ND2-NE2 2.87Å; N298-H301 PolarHBondContact O-N 3.43Å; N298-H301 VanDerWaalsContact O-N 3.16Å; P299-H301 VanDerWaalsContact C-N 3.3Å; P299-H301 PolarHBondContact O-N 2.98Å; H301-L342 VanDerWaalsContact CD2-CD1 3.42Å; H301-L342 WeakPolarHBondContact CD2-CD1 3.41Å |
| 302 | T | 77.1 | Confident | 84.8 | Confident | 135 Ų | 135 | 88.9 Ų | 88.9 | 83% | 0.828 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -106 | -11.2 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | Y300 | Y300-T302 PolarHBondContact O-N 3.07Š|
| 303 | A | 79.4 | Confident | 86 | Confident | 37 Ų | 37 | 84.7 Ų | 84.7 | 31% | 0.306 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -74.5 | 135.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y300 I305 M339 | Y300-A303 PolarHBondContact O-N 3.34Å; A303-I305 PolarHBondContact O-N 3.15Å; A303-M339 HydrophobicContact CB-CE 4.12Å |
| 304 | E | 87.7 | Confident | 86.9 | Confident | 180 Ų | 180 | 86 Ų | 86 | 84% | 0.841 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 119.3 | 173.7 | -169.1 | 174.2 | -176.9 | 0 | 0 | 109.4 | P306 | E304-P306 WeakPolarHBondContact O-CD 3.25Š|
| 305 | I | 91.4 | Very high | 87.5 | Confident | 16 Ų | 16 | 80.2 Ų | 80.2 | 8% | 0.082 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 119.1 | -178.8 | -56.8 | 176 | 0 | 0 | 0 | 108.1 | A303 D307 L309 Q310 M339 L342 L343 | A303-I305 PolarHBondContact O-N 3.15Å; I305-D307 PolarHBondContact O-N 2.92Å; I305-L309 HydrophobicContact CG2-CD2 4.22Å; I305-Q310 HydrophobicContact CG2-CG 4.24Å; I305-Q310 PolarHBondContact O-NE2 3.18Å; I305-M339 HydrophobicContact CG2-CB 4.35Å; I305-L342 HydrophobicContact CD1-CD2 4.13Å; I305-L343 HydrophobicContact CD1-CD2 3.77Å; I305-L343 HydrophobicContact CD1-CG 3.97Å; I305-L343 HydrophobicContact CG2-CD1 4.08Å; I305-L343 HydrophobicContact CG2-CD2 4.48Å; I305-L343 HydrophobicContact CG2-CG 4.34Å |
| 306 | P | 93.9 | Very high | 87.9 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 25% | 0.253 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 136.5 | -178.1 | -25.6 | 33.9 | 0 | 0 | 0 | 112.7 | E304 W308 L309 Q310 | E304-P306 WeakPolarHBondContact O-CD 3.25Å; P306-W308 VanDerWaalsContact C-N 3.28Å; P306-W308 VanDerWaalsContact CB-CD1 3.49Å; P306-W308 HydrophobicContact CB-CG 4.38Å; P306-W308 VanDerWaalsContact CB-NE1 3.32Å; P306-W308 PolarHBondContact O-N 2.95Å; P306-L309 HydrophobicContact CB-CB 4.47Å; P306-L309 VanDerWaalsContact O-CB 3.32Å; P306-L309 WeakPolarHBondContact O-CB 3.1Å; P306-L309 PolarHBondContact O-N 2.95Å; P306-Q310 PolarHBondContact O-N 2.8Å |
| 307 | D | 92.6 | Very high | 88.1 | Confident | 120 Ų | 120 | 75.2 Ų | 75.2 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.8 | -38.8 | -176.6 | -69.5 | -30.1 | 0 | 0 | 0 | 113 | I305 L309 Q310 V311 | I305-D307 PolarHBondContact O-N 2.92Å; D307-L309 PolarHBondContact O-N 3.46Å; D307-Q310 WeakPolarHBondContact O-CA 3.12Å; D307-Q310 WeakPolarHBondContact O-CB 3.24Å; D307-Q310 PolarHBondContact O-N 2.9Å; D307-Q310 PolarHBondContact OD1-NE2 2.83Å; D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 2.75Å |
| 308 | W | 94.7 | Very high | 88.6 | Confident | 99 Ų | 99 | 77 Ų | 77 | 38% | 0.375 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.2 | -31.4 | 177.9 | 72.3 | -96.7 | 0 | 0 | 0 | 112.1 | P306 V311 Y312 L323 Y336 | P306-W308 VanDerWaalsContact C-N 3.28Å; P306-W308 VanDerWaalsContact CB-CD1 3.49Å; P306-W308 HydrophobicContact CB-CG 4.38Å; P306-W308 VanDerWaalsContact CB-NE1 3.32Å; P306-W308 PolarHBondContact O-N 2.95Å; W308-V311 PolarHBondContact O-N 3.19Å; W308-Y312 WeakPolarHBondContact O-CB 3.5Å; W308-Y312 PolarHBondContact O-N 3.01Å; W308-L323 HydrophobicContact CE3-CD1 4.47Å; W308-L323 HydrophobicContact CZ3-CD1 3.89Å; W308-Y336 HydrophobicContact CH2-CE1 4.48Å; W308-Y336 HydrophobicContact CH2-CE2 4.46Å; W308-Y336 HydrophobicContact CZ2-CD1 4.19Å; W308-Y336 AromaticContact CZ2-CE1 3.78Å; W308-Y336 HydrophobicContact CZ2-CE1 3.78Å; W308-Y336 HydrophobicContact CZ2-CE2 4.26Å; W308-Y336 AromaticContact CZ2-CZ 3.83Å |
| 309 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.2 | -32.9 | 177.8 | -167.3 | 65.6 | 0 | 0 | 0 | 111.1 | I305 P306 D307 Y312 A313 Y336 M339 L340 | I305-L309 HydrophobicContact CG2-CD2 4.22Å; P306-L309 HydrophobicContact CB-CB 4.47Å; P306-L309 VanDerWaalsContact O-CB 3.32Å; P306-L309 WeakPolarHBondContact O-CB 3.1Å; P306-L309 PolarHBondContact O-N 2.95Å; D307-L309 PolarHBondContact O-N 3.46Å; L309-Y312 HydrophobicContact CD1-CD1 4.25Å; L309-Y312 PolarHBondContact O-N 3.49Å; L309-A313 WeakPolarHBondContact O-CB 3.29Å; L309-A313 PolarHBondContact O-N 2.76Å; L309-Y336 HydrophobicContact CD2-CD1 4.09Å; L309-M339 HydrophobicContact CD2-CB 3.79Å; L309-M339 HydrophobicContact CD2-SD 4.28Å; L309-L340 HydrophobicContact CD1-CD1 4.28Å; L309-L340 HydrophobicContact CD1-CD2 3.86Å; L309-L340 HydrophobicContact CD1-CG 4.02Å; L309-L340 HydrophobicContact CD2-CD2 4.45Å; L309-L340 HydrophobicContact CD2-CG 4.32Å; L309-L340 HydrophobicContact CG-CD2 3.92Å; L309-L340 HydrophobicContact CG-CG 4.25Å |
| 310 | Q | 92.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 171.2 | -55.8 | 179.5 | 36.4 | 0 | 0 | 111.6 | I305 P306 D307 A313 R314 L343 | I305-Q310 HydrophobicContact CG2-CG 4.24Å; I305-Q310 PolarHBondContact O-NE2 3.18Å; P306-Q310 PolarHBondContact O-N 2.8Å; D307-Q310 WeakPolarHBondContact O-CA 3.12Å; D307-Q310 WeakPolarHBondContact O-CB 3.24Å; D307-Q310 PolarHBondContact O-N 2.9Å; D307-Q310 PolarHBondContact OD1-NE2 2.83Å; Q310-A313 PolarHBondContact O-N 3.46Å; Q310-R314 WeakPolarHBondContact O-CG 3.46Å; Q310-R314 PolarHBondContact O-N 2.87Å; Q310-L343 HydrophobicContact CG-CD1 4.3Å; Q310-L343 HydrophobicContact CG-CD2 4.39Å |
| 311 | V | 94.5 | Very high | 89.6 | Confident | 97 Ų | 97 | 80.2 Ų | 80.2 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63 | -45.4 | 174 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | D307 W308 A313 R314 A315 | D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 2.75Å; W308-V311 PolarHBondContact O-N 3.19Å; V311-A313 PolarHBondContact O-N 3.25Å; V311-R314 PolarHBondContact O-N 2.99Å; V311-A315 PolarHBondContact O-N 3.45Å |
| 312 | Y | 93.8 | Very high | 90.4 | Very high | 27 Ų | 27 | 80.2 Ų | 80.2 | 11% | 0.106 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.1 | 171.2 | -98.2 | 0 | 0 | 0 | 112.1 | W308 L309 R314 A315 D320 L323 W325 L340 | W308-Y312 WeakPolarHBondContact O-CB 3.5Å; W308-Y312 PolarHBondContact O-N 3.01Å; L309-Y312 HydrophobicContact CD1-CD1 4.25Å; L309-Y312 PolarHBondContact O-N 3.49Å; Y312-R314 PolarHBondContact O-N 3.14Å; Y312-A315 VanDerWaalsContact O-CB 3.29Å; Y312-A315 WeakPolarHBondContact O-CB 3.07Å; Y312-A315 PolarHBondContact O-N 3.02Å; Y312-D320 VanDerWaalsContact CE2-OD1 3.24Å; Y312-D320 WeakPolarHBondContact CE2-OD1 3.45Å; Y312-D320 VanDerWaalsContact CZ-OD1 3.24Å; Y312-D320 PolarHBondContact OH-OD1 2.83Å; Y312-L323 HydrophobicContact CD2-CD1 4Å; Y312-L323 HydrophobicContact CE2-CD1 4.46Å; Y312-W325 HydrophobicContact CD1-CH2 4.44Å; Y312-W325 HydrophobicContact CD1-CZ2 4.46Å; Y312-W325 HydrophobicContact CE1-CH2 4.08Å; Y312-W325 AromaticContact CE1-CZ2 3.78Å; Y312-W325 HydrophobicContact CE1-CZ2 3.78Å; Y312-W325 AromaticContact CE2-CZ2 3.98Å; Y312-W325 HydrophobicContact CE2-CZ2 3.98Å; Y312-W325 AromaticContact CZ-CZ2 3.52Å; Y312-L340 HydrophobicContact CD1-CD2 4.13Å; Y312-L340 HydrophobicContact CE1-CD1 4.18Å; Y312-L340 HydrophobicContact CE1-CD2 4.35Å |
| 313 | A | 91.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 75.6 Ų | 75.6 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L309 Q310 V311 L340 L343 | L309-A313 WeakPolarHBondContact O-CB 3.29Å; L309-A313 PolarHBondContact O-N 2.76Å; Q310-A313 PolarHBondContact O-N 3.46Å; V311-A313 PolarHBondContact O-N 3.25Å; A313-L340 HydrophobicContact CB-CD2 4.16Å; A313-L343 HydrophobicContact CB-CD1 4.06Å |
| 314 | R | 91.9 | Very high | 91.7 | Very high | 192 Ų | 192 | 80.4 Ų | 80.4 | 73% | 0.725 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -86.5 | -9.3 | 176.2 | -65.4 | 177.5 | -175.7 | 133.8 | 3.3 | 113.4 | Q310 V311 Y312 | Q310-R314 WeakPolarHBondContact O-CG 3.46Å; Q310-R314 PolarHBondContact O-N 2.87Å; V311-R314 PolarHBondContact O-N 2.99Å; Y312-R314 PolarHBondContact O-N 3.14Å |
| 315 | A | 92.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 72 Ų | 72 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -71.7 | 142.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S36 V311 Y312 | S36-A315 PolarHBondContact OG-O 3.4Å; V311-A315 PolarHBondContact O-N 3.45Å; Y312-A315 VanDerWaalsContact O-CB 3.29Å; Y312-A315 WeakPolarHBondContact O-CB 3.07Å; Y312-A315 PolarHBondContact O-N 3.02Å |
| 316 | P | 91.7 | Very high | 91.8 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 43% | 0.429 | 36% | 0.364 | S | S | . | . | trans | -59.4 | 147.7 | 173.6 | -26.2 | 34.2 | 0 | 0 | 0 | 113.7 | K318 Y319 | P316-K318 HydrophobicContact CB-CD 4.32Å; P316-K318 HydrophobicContact CB-CG 3.65Å; P316-K318 PolarHBondContact O-N 2.85Å; P316-Y319 HydrophobicContact CB-CD2 4.21Å; P316-Y319 HydrophobicContact CG-CD2 4.23Å; P316-Y319 HydrophobicContact CG-CE2 4.33Å; P316-Y319 PolarHBondContact O-N 3.44Å | ||
| 317 | V | 89 | Confident | 91.7 | Very high | 73 Ų | 73 | 79.8 Ų | 79.8 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -47.2 | -37.5 | 175.9 | -72.4 | 0 | 0 | 0 | 0 | 114.2 | S36 Y319 D320 | S36-V317 WeakPolarHBondContact OG-CA 3.48Å; S36-V317 VanDerWaalsContact OG-CG1 3.25Å; S36-V317 WeakPolarHBondContact OG-CG1 3.37Å; S36-V317 PolarHBondContact OG-N 2.89Å; V317-Y319 PolarHBondContact O-N 3.22Å; V317-D320 WeakPolarHBondContact O-CB 3.28Å; V317-D320 PolarHBondContact O-N 3.43Å; V317-D320 VanDerWaalsContact O-N 3.09Å |
| 318 | K | 91.7 | Very high | 91.6 | Very high | 122 Ų | 122 | 77.6 Ų | 77.6 | 53% | 0.53 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -58.3 | -23.3 | -177.4 | 49.9 | 167.7 | 170.3 | 165.3 | 0 | 113 | P316 H321 | P316-K318 HydrophobicContact CB-CD 4.32Å; P316-K318 HydrophobicContact CB-CG 3.65Å; P316-K318 PolarHBondContact O-N 2.85Å; K318-H321 PolarHBondContact O-CE1 3.5Å; K318-H321 PolarHBondContact O-ND1 3.41Å; K318-H321 VanDerWaalsContact O-ND1 3.13Å |
| 319 | Y | 91.6 | Very high | 91.6 | Very high | 112 Ų | 112 | 79.5 Ų | 79.5 | 44% | 0.439 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -104.8 | 3.8 | -176.9 | -59.7 | -51.8 | 0 | 0 | 0 | 113.1 | P316 V317 H321 I322 | P316-Y319 HydrophobicContact CB-CD2 4.21Å; P316-Y319 HydrophobicContact CG-CD2 4.23Å; P316-Y319 HydrophobicContact CG-CE2 4.33Å; P316-Y319 PolarHBondContact O-N 3.44Å; V317-Y319 PolarHBondContact O-N 3.22Å; Y319-H321 VanDerWaalsContact C-N 3.3Å; Y319-H321 PolarHBondContact O-N 3.36Å; Y319-I322 WeakPolarHBondContact O-CD1 3.17Å; Y319-I322 WeakPolarHBondContact O-CG1 3.33Å; Y319-I322 PolarHBondContact O-N 3.05Å |
| 320 | D | 86.4 | Confident | 91.5 | Very high | 15 Ų | 15 | 85.8 Ų | 85.8 | 8% | 0.08 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -60.6 | -38.2 | -176.6 | -170.1 | 46.3 | 0 | 0 | 0 | 113.2 | T43 Y312 V317 I322 L323 | T43-D320 WeakPolarHBondContact CB-OD2 3.25Å; T43-D320 PolarHBondContact OG1-OD2 2.69Å; Y312-D320 VanDerWaalsContact CE2-OD1 3.24Å; Y312-D320 WeakPolarHBondContact CE2-OD1 3.45Å; Y312-D320 VanDerWaalsContact CZ-OD1 3.24Å; Y312-D320 PolarHBondContact OH-OD1 2.83Å; V317-D320 WeakPolarHBondContact O-CB 3.28Å; V317-D320 PolarHBondContact O-N 3.43Å; V317-D320 VanDerWaalsContact O-N 3.09Å; D320-I322 PolarHBondContact O-N 2.97Å; D320-I322 VanDerWaalsContact O-N 3.17Å; D320-L323 PolarHBondContact O-N 3.42Å |
| 321 | H | 88.3 | Confident | 91.3 | Very high | 145 Ų | 145 | 86.3 Ų | 86.3 | 67% | 0.671 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -68.4 | -10.4 | -179.4 | 67.5 | -91 | 0 | 0 | 0 | 115.1 | K318 Y319 L323 | K318-H321 PolarHBondContact O-CE1 3.5Å; K318-H321 PolarHBondContact O-ND1 3.41Å; K318-H321 VanDerWaalsContact O-ND1 3.13Å; Y319-H321 VanDerWaalsContact C-N 3.3Å; Y319-H321 PolarHBondContact O-N 3.36Å; H321-L323 VanDerWaalsContact C-N 3.26Å; H321-L323 PolarHBondContact O-N 3.17Å |
| 322 | I | 92.2 | Very high | 91 | Very high | 115 Ų | 115 | 84.7 Ų | 84.7 | 59% | 0.59 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -75.2 | -21.9 | -179.4 | 77.9 | -169.6 | 0 | 0 | 0 | 111.7 | Y319 D320 | Y319-I322 WeakPolarHBondContact O-CD1 3.17Å; Y319-I322 WeakPolarHBondContact O-CG1 3.33Å; Y319-I322 PolarHBondContact O-N 3.05Å; D320-I322 PolarHBondContact O-N 2.97Å; D320-I322 VanDerWaalsContact O-N 3.17Å |
| 323 | L | 91.5 | Very high | 90.9 | Very high | 38 Ų | 38 | 84.3 Ų | 84.3 | 20% | 0.199 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -91.2 | 117.6 | -179.8 | -157.8 | 153.8 | 0 | 0 | 0 | 109.5 | W308 Y312 D320 H321 W325 F328 | W308-L323 HydrophobicContact CE3-CD1 4.47Å; W308-L323 HydrophobicContact CZ3-CD1 3.89Å; Y312-L323 HydrophobicContact CD2-CD1 4Å; Y312-L323 HydrophobicContact CE2-CD1 4.46Å; D320-L323 PolarHBondContact O-N 3.42Å; H321-L323 VanDerWaalsContact C-N 3.26Å; H321-L323 PolarHBondContact O-N 3.17Å; L323-W325 HydrophobicContact CD1-CH2 4.39Å; L323-W325 HydrophobicContact CD1-CZ2 4.36Å; L323-W325 HydrophobicContact CD2-CD2 3.43Å; L323-W325 VanDerWaalsContact CD2-CD2 3.43Å; L323-W325 HydrophobicContact CD2-CE3 3.6Å; L323-W325 HydrophobicContact CD2-CG 3.97Å; L323-W325 HydrophobicContact CD2-CH2 3.99Å; L323-W325 HydrophobicContact CD2-CZ2 3.82Å; L323-W325 HydrophobicContact CD2-CZ3 3.88Å; L323-W325 PolarHBondContact O-N 3.09Å; L323-F328 HydrophobicContact CD2-CE2 4.01Å |
| 324 | K | 92.9 | Very high | 90.6 | Very high | 137 Ų | 137 | 87.9 Ų | 87.9 | 60% | 0.596 | 44% | 0.436 | S | S | * | . | trans | -91.5 | 93.4 | -179.6 | -61.9 | -177.7 | -178.3 | -178.5 | 0 | 110.1 | E326 L327 | K324-E326 PolarHBondContact O-N 3.3Å; K324-L327 HydrophobicContact CB-CD1 3.79Å; K324-L327 HydrophobicContact CB-CG 4.03Å; K324-L327 HydrophobicContact CD-CD1 4.36Å; K324-L327 PolarHBondContact O-N 3.22Å | ||
| 325 | W | 89.6 | Confident | 90.6 | Very high | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.015 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -65 | -23.3 | -177.4 | -63.4 | 103.1 | 0 | 0 | 0 | 113.6 | T43 I44 Y312 L323 L327 F328 L333 | T43-W325 VanDerWaalsContact O-CD1 3.3Å; I44-W325 HydrophobicContact CB-CB 4.26Å; I44-W325 HydrophobicContact CB-CG 4.17Å; I44-W325 HydrophobicContact CD1-CD2 4.36Å; I44-W325 HydrophobicContact CD1-CE3 4.43Å; I44-W325 HydrophobicContact CG1-CB 4.12Å; I44-W325 HydrophobicContact CG1-CD2 3.6Å; I44-W325 HydrophobicContact CG1-CE3 4.13Å; I44-W325 HydrophobicContact CG1-CG 3.61Å; I44-W325 HydrophobicContact CG2-CB 4Å; I44-W325 HydrophobicContact CG2-CG 4.41Å; Y312-W325 HydrophobicContact CD1-CH2 4.44Å; Y312-W325 HydrophobicContact CD1-CZ2 4.46Å; Y312-W325 HydrophobicContact CE1-CH2 4.08Å; Y312-W325 AromaticContact CE1-CZ2 3.78Å; Y312-W325 HydrophobicContact CE1-CZ2 3.78Å; Y312-W325 AromaticContact CE2-CZ2 3.98Å; Y312-W325 HydrophobicContact CE2-CZ2 3.98Å; Y312-W325 AromaticContact CZ-CZ2 3.52Å; L323-W325 HydrophobicContact CD1-CH2 4.39Å; L323-W325 HydrophobicContact CD1-CZ2 4.36Å; L323-W325 HydrophobicContact CD2-CD2 3.43Å; L323-W325 VanDerWaalsContact CD2-CD2 3.43Å; L323-W325 HydrophobicContact CD2-CE3 3.6Å; L323-W325 HydrophobicContact CD2-CG 3.97Å; L323-W325 HydrophobicContact CD2-CH2 3.99Å; L323-W325 HydrophobicContact CD2-CZ2 3.82Å; L323-W325 HydrophobicContact CD2-CZ3 3.88Å; L323-W325 PolarHBondContact O-N 3.09Å; W325-L327 PolarHBondContact O-N 3.05Å; W325-L327 VanDerWaalsContact O-N 3.15Å; W325-F328 HydrophobicContact CE3-CD2 4.46Å; W325-F328 PolarHBondContact O-N 3Å; W325-F328 VanDerWaalsContact O-N 3.09Å; W325-L333 HydrophobicContact CB-CD2 4.23Å; W325-L333 HydrophobicContact CD2-CD2 4.37Å; W325-L333 HydrophobicContact CE3-CD2 3.54Å; W325-L333 HydrophobicContact CZ3-CD2 4.29Å |
| 326 | E | 91.3 | Very high | 90.5 | Very high | 77 Ų | 77 | 81.6 Ų | 81.6 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -71 | -8 | -178.5 | -47.6 | 97.2 | 131.8 | 0 | 0 | 113.2 | P45 R47 K324 F328 | P45-E326 HydrophobicContact CB-CG 4.27Å; P45-E326 HydrophobicContact CG-CG 4.1Å; P45-E326 WeakPolarHBondContact CG-OE1 3.49Å; R47-E326 HydrophobicContact CB-CG 4.23Å; R47-E326 HydrophobicContact CG-CG 4.16Å; K324-E326 PolarHBondContact O-N 3.3Å; E326-F328 VanDerWaalsContact C-N 3.33Å |
| 327 | L | 92 | Very high | 90.4 | Very high | 142 Ų | 142 | 81.6 Ų | 81.6 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -82.1 | -13.1 | 173.3 | -60.6 | 175.3 | 0 | 0 | 0 | 112.6 | K324 W325 | K324-L327 HydrophobicContact CB-CD1 3.79Å; K324-L327 HydrophobicContact CB-CG 4.03Å; K324-L327 HydrophobicContact CD-CD1 4.36Å; K324-L327 PolarHBondContact O-N 3.22Å; W325-L327 PolarHBondContact O-N 3.05Å; W325-L327 VanDerWaalsContact O-N 3.15Å |
| 328 | F | 91.3 | Very high | 90.5 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 32% | 0.32 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -96.4 | 153.6 | -178.8 | -65.3 | -87.8 | 0 | 0 | 0 | 112 | L323 W325 E326 L333 Y336 | L323-F328 HydrophobicContact CD2-CE2 4.01Å; W325-F328 HydrophobicContact CE3-CD2 4.46Å; W325-F328 PolarHBondContact O-N 3Å; W325-F328 VanDerWaalsContact O-N 3.09Å; E326-F328 VanDerWaalsContact C-N 3.33Å; F328-L333 HydrophobicContact CB-CD2 3.91Å; F328-L333 HydrophobicContact CB-CG 3.99Å; F328-L333 HydrophobicContact CG-CD2 4.49Å; F328-Y336 AromaticContact CD1-CE2 3.82Å; F328-Y336 HydrophobicContact CD1-CE2 3.82Å; F328-Y336 HydrophobicContact CE1-CE2 4.07Å |
| 329 | Q | 94.4 | Very high | 90.5 | Very high | 139 Ų | 139 | 73.6 Ų | 73.6 | 65% | 0.65 | 37% | 0.369 | S | S | * | . | trans | -72 | 151.8 | 172.3 | -58.2 | -172.8 | 11.2 | 0 | 0 | 110.6 | A331 D332 L333 | Q329-A331 VanDerWaalsContact C-N 3.3Å; Q329-A331 PolarHBondContact O-N 3.03Å; Q329-D332 PolarHBondContact O-N 2.97Å; Q329-D332 VanDerWaalsContact O-N 3.15Å; Q329-L333 WeakPolarHBondContact O-CG 3.49Å; Q329-L333 PolarHBondContact O-N 3.12Å | ||
| 330 | L | 90.4 | Very high | 90.5 | Very high | 133 Ų | 133 | 69 Ų | 69 | 70% | 0.696 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.6 | -39.3 | -178.5 | -172.8 | 63.6 | 0 | 0 | 0 | 112.8 | D332 L333 D334 | L330-D332 VanDerWaalsContact C-N 3.33Å; L330-D332 PolarHBondContact O-N 2.51Å; L330-L333 WeakPolarHBondContact O-CB 3.35Å; L330-L333 PolarHBondContact O-N 3.41Å; L330-D334 PolarHBondContact O-N 2.96Å; L330-D334 VanDerWaalsContact O-N 3.09Å |
| 331 | A | 87.9 | Confident | 90.6 | Very high | 63 Ų | 63 | 74.3 Ų | 74.3 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q329 T335 | Q329-A331 VanDerWaalsContact C-N 3.3Å; Q329-A331 PolarHBondContact O-N 3.03Å; A331-T335 PolarHBondContact O-N 2.76Å; A331-T335 PolarHBondContact O-OG1 3.12Å |
| 332 | D | 89.6 | Confident | 90.8 | Very high | 62 Ų | 62 | 68 Ų | 68 | 33% | 0.332 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 176.2 | -62.8 | -30.4 | 0 | 0 | 0 | 110.6 | Q329 L330 D334 T335 Y336 | Q329-D332 PolarHBondContact O-N 2.97Å; Q329-D332 VanDerWaalsContact O-N 3.15Å; L330-D332 VanDerWaalsContact C-N 3.33Å; L330-D332 PolarHBondContact O-N 2.51Å; D332-D334 PolarHBondContact O-N 3.12Å; D332-T335 WeakPolarHBondContact O-CB 3.34Å; D332-T335 PolarHBondContact O-N 3.27Å; D332-Y336 HydrophobicContact CB-CD2 4.36Å; D332-Y336 HydrophobicContact CB-CE2 3.81Å; D332-Y336 WeakPolarHBondContact O-CD2 3.16Å; D332-Y336 VanDerWaalsContact O-CG 3.31Å; D332-Y336 PolarHBondContact O-N 3.16Å |
| 333 | L | 90.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 176 | -69.8 | 173 | 0 | 0 | 0 | 112.2 | I44 W325 F328 Q329 L330 T335 Y336 Q337 | I44-L333 HydrophobicContact CD1-CD2 4.49Å; I44-L333 HydrophobicContact CG2-CD1 4.08Å; I44-L333 HydrophobicContact CG2-CD2 4.34Å; W325-L333 HydrophobicContact CB-CD2 4.23Å; W325-L333 HydrophobicContact CD2-CD2 4.37Å; W325-L333 HydrophobicContact CE3-CD2 3.54Å; W325-L333 HydrophobicContact CZ3-CD2 4.29Å; F328-L333 HydrophobicContact CB-CD2 3.91Å; F328-L333 HydrophobicContact CB-CG 3.99Å; F328-L333 HydrophobicContact CG-CD2 4.49Å; Q329-L333 WeakPolarHBondContact O-CG 3.49Å; Q329-L333 PolarHBondContact O-N 3.12Å; L330-L333 WeakPolarHBondContact O-CB 3.35Å; L330-L333 PolarHBondContact O-N 3.41Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.07Å; L333-Y336 PolarHBondContact O-N 3.09Å; L333-Q337 VanDerWaalsContact O-CB 3.29Å; L333-Q337 WeakPolarHBondContact O-CB 3.34Å; L333-Q337 PolarHBondContact O-N 3.09Å |
| 334 | D | 86.8 | Confident | 90.6 | Very high | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 175.4 | -77.4 | -37.9 | 0 | 0 | 0 | 111.8 | L330 D332 G338 | L330-D334 PolarHBondContact O-N 2.96Å; L330-D334 VanDerWaalsContact O-N 3.09Å; D332-D334 PolarHBondContact O-N 3.12Å; D334-G338 PolarHBondContact O-N 3.06Å |
| 335 | T | 90.5 | Very high | 90.6 | Very high | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -51.6 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | Y300 A331 D332 L333 Q337 G338 M339 | Y300-T335 HydrophobicContact CE1-CG2 4.01Å; A331-T335 PolarHBondContact O-N 2.76Å; A331-T335 PolarHBondContact O-OG1 3.12Å; D332-T335 WeakPolarHBondContact O-CB 3.34Å; D332-T335 PolarHBondContact O-N 3.27Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 3.07Å; T335-Q337 VanDerWaalsContact C-N 3.32Å; T335-Q337 PolarHBondContact O-N 3.26Å; T335-G338 PolarHBondContact O-N 3.45Å; T335-G338 VanDerWaalsContact O-N 3.14Å; T335-M339 HydrophobicContact CG2-CE 3.68Å; T335-M339 HydrophobicContact CG2-SD 4.32Å; T335-M339 WeakPolarHBondContact O-CG 3.44Å; T335-M339 PolarHBondContact O-N 3.31Å |
| 336 | Y | 91.4 | Very high | 90.7 | Very high | 42 Ų | 42 | 68 Ų | 68 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 178.6 | -62.2 | -44.3 | 0 | 0 | 0 | 112.2 | W308 L309 F328 D332 L333 G338 M339 L340 | W308-Y336 HydrophobicContact CH2-CE1 4.48Å; W308-Y336 HydrophobicContact CH2-CE2 4.46Å; W308-Y336 HydrophobicContact CZ2-CD1 4.19Å; W308-Y336 AromaticContact CZ2-CE1 3.78Å; W308-Y336 HydrophobicContact CZ2-CE1 3.78Å; W308-Y336 HydrophobicContact CZ2-CE2 4.26Å; W308-Y336 AromaticContact CZ2-CZ 3.83Å; L309-Y336 HydrophobicContact CD2-CD1 4.09Å; F328-Y336 AromaticContact CD1-CE2 3.82Å; F328-Y336 HydrophobicContact CD1-CE2 3.82Å; F328-Y336 HydrophobicContact CE1-CE2 4.07Å; D332-Y336 HydrophobicContact CB-CD2 4.36Å; D332-Y336 HydrophobicContact CB-CE2 3.81Å; D332-Y336 WeakPolarHBondContact O-CD2 3.16Å; D332-Y336 VanDerWaalsContact O-CG 3.31Å; D332-Y336 PolarHBondContact O-N 3.16Å; L333-Y336 PolarHBondContact O-N 3.09Å; Y336-G338 VanDerWaalsContact C-N 3.32Å; Y336-G338 PolarHBondContact O-N 3.15Å; Y336-M339 HydrophobicContact CD1-SD 4.38Å; Y336-M339 PolarHBondContact O-N 2.95Å; Y336-L340 WeakPolarHBondContact O-CB 3.35Å; Y336-L340 WeakPolarHBondContact O-CG 3.18Å; Y336-L340 PolarHBondContact O-N 3.13Å |
| 337 | Q | 90.3 | Very high | 90.7 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.1 | -172.3 | -177.8 | -89.1 | 0 | 0 | 111.6 | L333 T335 L340 K341 | L333-Q337 VanDerWaalsContact O-CB 3.29Å; L333-Q337 WeakPolarHBondContact O-CB 3.34Å; L333-Q337 PolarHBondContact O-N 3.09Å; T335-Q337 VanDerWaalsContact C-N 3.32Å; T335-Q337 PolarHBondContact O-N 3.26Å; Q337-L340 PolarHBondContact O-N 2.7Å; Q337-K341 WeakPolarHBondContact O-CG 3.4Å; Q337-K341 PolarHBondContact O-N 2.94Å |
| 338 | G | 89.7 | Confident | 90.8 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D334 T335 Y336 K341 L342 | D334-G338 PolarHBondContact O-N 3.06Å; T335-G338 PolarHBondContact O-N 3.45Å; T335-G338 VanDerWaalsContact O-N 3.14Å; Y336-G338 VanDerWaalsContact C-N 3.32Å; Y336-G338 PolarHBondContact O-N 3.15Å; G338-K341 PolarHBondContact O-N 3.13Å; G338-L342 PolarHBondContact O-N 3.35Å; G338-L342 VanDerWaalsContact O-N 3.07Å |
| 339 | M | 91.6 | Very high | 91 | Very high | 15 Ų | 15 | 66.5 Ų | 66.5 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.5 | -67.4 | 174.6 | 176.6 | 0 | 0 | 112.6 | Y300 A303 I305 L309 T335 Y336 L342 L343 | Y300-M339 HydrophobicContact CD1-CE 4.45Å; Y300-M339 HydrophobicContact CD1-CG 4.22Å; Y300-M339 HydrophobicContact CG-CG 4.44Å; A303-M339 HydrophobicContact CB-CE 4.12Å; I305-M339 HydrophobicContact CG2-CB 4.35Å; L309-M339 HydrophobicContact CD2-CB 3.79Å; L309-M339 HydrophobicContact CD2-SD 4.28Å; T335-M339 HydrophobicContact CG2-CE 3.68Å; T335-M339 HydrophobicContact CG2-SD 4.32Å; T335-M339 WeakPolarHBondContact O-CG 3.44Å; T335-M339 PolarHBondContact O-N 3.31Å; Y336-M339 HydrophobicContact CD1-SD 4.38Å; Y336-M339 PolarHBondContact O-N 2.95Å; M339-L342 WeakPolarHBondContact O-CB 3.39Å; M339-L342 PolarHBondContact O-N 3.15Å; M339-L342 VanDerWaalsContact O-N 3.15Å; M339-L343 PolarHBondContact O-N 3.39Å |
| 340 | L | 92.2 | Very high | 91 | Very high | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175 | -74.6 | 172.2 | 0 | 0 | 0 | 112 | L309 Y312 A313 Y336 Q337 L342 L343 F344 | L309-L340 HydrophobicContact CD1-CD1 4.28Å; L309-L340 HydrophobicContact CD1-CD2 3.86Å; L309-L340 HydrophobicContact CD1-CG 4.02Å; L309-L340 HydrophobicContact CD2-CD2 4.45Å; L309-L340 HydrophobicContact CD2-CG 4.32Å; L309-L340 HydrophobicContact CG-CD2 3.92Å; L309-L340 HydrophobicContact CG-CG 4.25Å; Y312-L340 HydrophobicContact CD1-CD2 4.13Å; Y312-L340 HydrophobicContact CE1-CD1 4.18Å; Y312-L340 HydrophobicContact CE1-CD2 4.35Å; A313-L340 HydrophobicContact CB-CD2 4.16Å; Y336-L340 WeakPolarHBondContact O-CB 3.35Å; Y336-L340 WeakPolarHBondContact O-CG 3.18Å; Y336-L340 PolarHBondContact O-N 3.13Å; Q337-L340 PolarHBondContact O-N 2.7Å; L340-L342 VanDerWaalsContact C-N 3.27Å; L340-L342 PolarHBondContact O-N 3.28Å; L340-L343 PolarHBondContact O-N 2.71Å; L340-F344 WeakPolarHBondContact O-CB 3.44Å; L340-F344 PolarHBondContact O-N 2.99Å |
| 341 | K | 89.1 | Confident | 91.3 | Very high | 128 Ų | 128 | 61 Ų | 61 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.4 | -38.9 | 172.3 | -74.9 | 179.4 | -179.4 | 179.5 | 0 | 111.6 | Q337 G338 F344 M345 | Q337-K341 WeakPolarHBondContact O-CG 3.4Å; Q337-K341 PolarHBondContact O-N 2.94Å; G338-K341 PolarHBondContact O-N 3.13Å; K341-F344 WeakPolarHBondContact O-CB 3.41Å; K341-F344 PolarHBondContact O-N 2.92Å; K341-M345 VanDerWaalsContact O-CG 3.31Å; K341-M345 WeakPolarHBondContact O-CG 3.31Å; K341-M345 PolarHBondContact O-N 2.87Å |
| 342 | L | 91.4 | Very high | 91.8 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 177.1 | -178.8 | 59.7 | 0 | 0 | 0 | 112.3 | Y300 H301 I305 G338 M339 L340 F344 M345 K346 | Y300-L342 WeakPolarHBondContact O-CD2 3.41Å; H301-L342 VanDerWaalsContact CD2-CD1 3.42Å; H301-L342 WeakPolarHBondContact CD2-CD1 3.41Å; I305-L342 HydrophobicContact CD1-CD2 4.13Å; G338-L342 PolarHBondContact O-N 3.35Å; G338-L342 VanDerWaalsContact O-N 3.07Å; M339-L342 WeakPolarHBondContact O-CB 3.39Å; M339-L342 PolarHBondContact O-N 3.15Å; M339-L342 VanDerWaalsContact O-N 3.15Å; L340-L342 VanDerWaalsContact C-N 3.27Å; L340-L342 PolarHBondContact O-N 3.28Å; L342-F344 VanDerWaalsContact C-N 3.28Å; L342-F344 PolarHBondContact O-N 3.2Å; L342-M345 PolarHBondContact O-N 3.17Å; L342-K346 WeakPolarHBondContact O-CG 3.36Å; L342-K346 PolarHBondContact O-N 2.81Å |
| 343 | L | 91 | Very high | 92.1 | Very high | 33 Ų | 33 | 64.2 Ų | 64.2 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 174 | -74.4 | 176.2 | 0 | 0 | 0 | 111.2 | I305 Q310 A313 M339 L340 K346 E347 | I305-L343 HydrophobicContact CD1-CD2 3.77Å; I305-L343 HydrophobicContact CD1-CG 3.97Å; I305-L343 HydrophobicContact CG2-CD1 4.08Å; I305-L343 HydrophobicContact CG2-CD2 4.48Å; I305-L343 HydrophobicContact CG2-CG 4.34Å; Q310-L343 HydrophobicContact CG-CD1 4.3Å; Q310-L343 HydrophobicContact CG-CD2 4.39Å; A313-L343 HydrophobicContact CB-CD1 4.06Å; M339-L343 PolarHBondContact O-N 3.39Å; L340-L343 PolarHBondContact O-N 2.71Å; L343-K346 PolarHBondContact O-N 2.78Å; L343-E347 PolarHBondContact O-N 2.76Å |
| 344 | F | 89.2 | Confident | 92.5 | Very high | 55 Ų | 55 | 68.8 Ų | 68.8 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 175.1 | 168.5 | -114.9 | 0 | 0 | 0 | 112.2 | F37 I38 L340 K341 L342 K346 E347 L348 | F37-F344 HydrophobicContact CZ-CB 4.38Å; I38-F344 HydrophobicContact CD1-CD2 3.42Å; I38-F344 VanDerWaalsContact CD1-CD2 3.42Å; I38-F344 HydrophobicContact CD1-CE2 3.5Å; I38-F344 HydrophobicContact CD1-CG 4.14Å; I38-F344 HydrophobicContact CD1-CZ 4.26Å; L340-F344 WeakPolarHBondContact O-CB 3.44Å; L340-F344 PolarHBondContact O-N 2.99Å; K341-F344 WeakPolarHBondContact O-CB 3.41Å; K341-F344 PolarHBondContact O-N 2.92Å; L342-F344 VanDerWaalsContact C-N 3.28Å; L342-F344 PolarHBondContact O-N 3.2Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 2.72Å; F344-E347 PolarHBondContact O-N 3.07Å; F344-L348 HydrophobicContact CE1-CD2 4.41Å; F344-L348 HydrophobicContact CE2-CB 4.47Å; F344-L348 HydrophobicContact CZ-CD2 4.13Å; F344-L348 VanDerWaalsContact O-CB 3.29Å; F344-L348 WeakPolarHBondContact O-CB 3.46Å; F344-L348 PolarHBondContact O-N 2.84Å |
| 345 | M | 92.4 | Very high | 93 | Very high | 97 Ų | 97 | 71.4 Ų | 71.4 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 177.6 | -72.1 | -69.8 | 104.3 | 0 | 0 | 111.8 | K341 L342 L348 E349 | K341-M345 VanDerWaalsContact O-CG 3.31Å; K341-M345 WeakPolarHBondContact O-CG 3.31Å; K341-M345 PolarHBondContact O-N 2.87Å; L342-M345 PolarHBondContact O-N 3.17Å; M345-L348 HydrophobicContact CE-CD2 3.99Å; M345-E349 VanDerWaalsContact O-CB 3.31Å; M345-E349 WeakPolarHBondContact O-CB 3.43Å; M345-E349 PolarHBondContact O-N 2.95Å |
| 346 | K | 91.1 | Very high | 93.4 | Very high | 110 Ų | 110 | 73.8 Ų | 73.8 | 48% | 0.478 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 176 | -73.3 | -179.6 | 175 | -178.5 | 0 | 112.5 | L342 L343 F344 E349 Q350 | L342-K346 WeakPolarHBondContact O-CG 3.36Å; L342-K346 PolarHBondContact O-N 2.81Å; L343-K346 PolarHBondContact O-N 2.78Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 2.72Å; K346-E349 PolarHBondContact O-N 3.04Å; K346-Q350 PolarHBondContact O-N 3.18Å |
| 347 | E | 91.9 | Very high | 93.7 | Very high | 85 Ų | 85 | 74.7 Ų | 74.7 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 178.5 | -170.9 | 171.1 | -170.2 | 0 | 0 | 111.5 | L343 F344 Q350 I351 | L343-E347 PolarHBondContact O-N 2.76Å; F344-E347 PolarHBondContact O-N 3.07Å; E347-Q350 PolarHBondContact O-N 2.91Å; E347-I351 HydrophobicContact CG-CD1 4.36Å; E347-I351 WeakPolarHBondContact O-CG1 3.4Å; E347-I351 PolarHBondContact O-N 2.83Å |
| 348 | L | 94.9 | Very high | 94 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.9 | -174.3 | 69.5 | 0 | 0 | 0 | 111.5 | F344 M345 Q350 I351 V352 | F344-L348 HydrophobicContact CE1-CD2 4.41Å; F344-L348 HydrophobicContact CE2-CB 4.47Å; F344-L348 HydrophobicContact CZ-CD2 4.13Å; F344-L348 VanDerWaalsContact O-CB 3.29Å; F344-L348 WeakPolarHBondContact O-CB 3.46Å; F344-L348 PolarHBondContact O-N 2.84Å; M345-L348 HydrophobicContact CE-CD2 3.99Å; L348-Q350 VanDerWaalsContact C-N 3.31Å; L348-Q350 PolarHBondContact O-N 3.4Å; L348-I351 PolarHBondContact O-N 2.82Å; L348-V352 WeakPolarHBondContact O-CG2 3.21Å; L348-V352 PolarHBondContact O-N 3.46Å |
| 349 | E | 94.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 83.9 Ų | 83.9 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 176.1 | -173.5 | -170.8 | 166.7 | 0 | 0 | 111.3 | M345 K346 I351 V352 K353 | M345-E349 VanDerWaalsContact O-CB 3.31Å; M345-E349 WeakPolarHBondContact O-CB 3.43Å; M345-E349 PolarHBondContact O-N 2.95Å; K346-E349 PolarHBondContact O-N 3.04Å; E349-I351 PolarHBondContact O-N 2.92Å; E349-V352 PolarHBondContact O-N 2.81Å; E349-K353 HydrophobicContact CG-CD 4.22Å; E349-K353 WeakPolarHBondContact O-CB 3.49Å; E349-K353 WeakPolarHBondContact O-CG 3.27Å; E349-K353 PolarHBondContact O-N 3.38Å; E349-K353 VanDerWaalsContact OE1-CE 3.23Å; E349-K353 WeakPolarHBondContact OE1-CE 3.39Å; E349-K353 IonicContact OE1-NZ 3.48Å; E349-K353 PolarHBondContact OE1-NZ 3.04Å |
| 350 | Q | 95.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 87.9 Ų | 87.9 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177.3 | -176.6 | 60.9 | 18.5 | 0 | 0 | 111.8 | K346 E347 L348 K353 M354 | K346-Q350 PolarHBondContact O-N 3.18Å; E347-Q350 PolarHBondContact O-N 2.91Å; L348-Q350 VanDerWaalsContact C-N 3.31Å; L348-Q350 PolarHBondContact O-N 3.4Å; Q350-K353 PolarHBondContact O-N 2.89Å; Q350-M354 VanDerWaalsContact O-CG 3.28Å; Q350-M354 WeakPolarHBondContact O-CG 3.48Å; Q350-M354 PolarHBondContact O-N 3.01Å |
| 351 | I | 96.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 89.8 Ų | 89.8 | 26% | 0.256 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 176 | -69.4 | 167.2 | 0 | 0 | 0 | 109.9 | L33 E347 L348 E349 K353 M354 Y355 | L33-I351 HydrophobicContact CD2-CD1 4.19Å; E347-I351 HydrophobicContact CG-CD1 4.36Å; E347-I351 WeakPolarHBondContact O-CG1 3.4Å; E347-I351 PolarHBondContact O-N 2.83Å; L348-I351 PolarHBondContact O-N 2.82Å; E349-I351 PolarHBondContact O-N 2.92Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 3.26Å; I351-M354 PolarHBondContact O-N 2.94Å; I351-Y355 HydrophobicContact CG2-CD2 3.88Å; I351-Y355 HydrophobicContact CG2-CE2 3.98Å; I351-Y355 WeakPolarHBondContact O-CD2 3.49Å; I351-Y355 PolarHBondContact O-N 3.25Å |
| 352 | V | 97.8 | Very high | 95.5 | Very high | 78 Ų | 78 | 87.6 Ų | 87.6 | 47% | 0.473 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.8 | -45.7 | -179.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | L348 E349 M354 Y355 E356 | L348-V352 WeakPolarHBondContact O-CG2 3.21Å; L348-V352 PolarHBondContact O-N 3.46Å; E349-V352 PolarHBondContact O-N 2.81Å; V352-M354 VanDerWaalsContact C-N 3.34Å; V352-M354 PolarHBondContact O-N 2.84Å; V352-Y355 PolarHBondContact O-N 3.07Å; V352-E356 HydrophobicContact CG1-CG 4.45Å; V352-E356 PolarHBondContact O-N 2.82Å |
| 353 | K | 96.4 | Very high | 95.9 | Very high | 115 Ų | 115 | 90.5 Ų | 90.5 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 176.2 | -78.7 | 173.4 | 168.3 | 170.5 | 0 | 112.5 | E349 Q350 I351 Y355 E356 A357 | E349-K353 HydrophobicContact CG-CD 4.22Å; E349-K353 WeakPolarHBondContact O-CB 3.49Å; E349-K353 WeakPolarHBondContact O-CG 3.27Å; E349-K353 PolarHBondContact O-N 3.38Å; E349-K353 VanDerWaalsContact OE1-CE 3.23Å; E349-K353 WeakPolarHBondContact OE1-CE 3.39Å; E349-K353 IonicContact OE1-NZ 3.48Å; E349-K353 PolarHBondContact OE1-NZ 3.04Å; Q350-K353 PolarHBondContact O-N 2.89Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 3.26Å; K353-Y355 PolarHBondContact O-N 2.59Å; K353-E356 PolarHBondContact O-N 2.9Å; K353-A357 WeakPolarHBondContact O-CB 3.21Å; K353-A357 PolarHBondContact O-N 2.88Å |
| 354 | M | 97.4 | Very high | 96.2 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 57% | 0.567 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | 178 | -71.6 | -62.7 | -63.9 | 0 | 0 | 111.9 | Q350 I351 V352 A357 Y358 | Q350-M354 VanDerWaalsContact O-CG 3.28Å; Q350-M354 WeakPolarHBondContact O-CG 3.48Å; Q350-M354 PolarHBondContact O-N 3.01Å; I351-M354 PolarHBondContact O-N 2.94Å; V352-M354 VanDerWaalsContact C-N 3.34Å; V352-M354 PolarHBondContact O-N 2.84Å; M354-A357 PolarHBondContact O-N 3.25Å; M354-Y358 WeakPolarHBondContact O-CB 3.39Å; M354-Y358 PolarHBondContact O-N 2.97Å |
| 355 | Y | 97.9 | Very high | 96.7 | Very high | 144 Ų | 144 | 93.5 Ų | 93.5 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.1 | -35.9 | 177.9 | -86.4 | -89.3 | 0 | 0 | 0 | 112.9 | I351 V352 K353 Y358 R359 | I351-Y355 HydrophobicContact CG2-CD2 3.88Å; I351-Y355 HydrophobicContact CG2-CE2 3.98Å; I351-Y355 WeakPolarHBondContact O-CD2 3.49Å; I351-Y355 PolarHBondContact O-N 3.25Å; V352-Y355 PolarHBondContact O-N 3.07Å; K353-Y355 PolarHBondContact O-N 2.59Å; Y355-Y358 PolarHBondContact O-N 2.83Å; Y355-R359 VanDerWaalsContact O-CB 3.29Å; Y355-R359 WeakPolarHBondContact O-CB 3.25Å; Y355-R359 PolarHBondContact O-N 2.85Å |
| 356 | E | 98.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 94.2 Ų | 94.2 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 172.9 | -78.2 | -60.3 | 156.9 | 0 | 0 | 111.4 | V352 K353 Y358 R359 Q360 | V352-E356 HydrophobicContact CG1-CG 4.45Å; V352-E356 PolarHBondContact O-N 2.82Å; K353-E356 PolarHBondContact O-N 2.9Å; E356-Y358 VanDerWaalsContact C-N 3.33Å; E356-Y358 PolarHBondContact O-N 2.82Å; E356-R359 WeakPolarHBondContact O-CB 3.37Å; E356-R359 PolarHBondContact O-N 3.16Å; E356-Q360 WeakPolarHBondContact O-CG 3.48Å; E356-Q360 PolarHBondContact O-N 2.81Å |
| 357 | A | 97.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 92.4 Ų | 92.4 | 50% | 0.504 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K353 M354 Q360 A361 | K353-A357 WeakPolarHBondContact O-CB 3.21Å; K353-A357 PolarHBondContact O-N 2.88Å; M354-A357 PolarHBondContact O-N 3.25Å; A357-Q360 PolarHBondContact O-N 3.2Å; A357-A361 PolarHBondContact O-N 2.8Å |
| 358 | Y | 98.3 | Very high | 97.6 | Very high | 144 Ų | 144 | 91.6 Ų | 91.6 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 176.3 | -176.4 | -113.5 | 0 | 0 | 0 | 112.4 | M354 Y355 E356 Q360 A361 L362 | M354-Y358 WeakPolarHBondContact O-CB 3.39Å; M354-Y358 PolarHBondContact O-N 2.97Å; Y355-Y358 PolarHBondContact O-N 2.83Å; E356-Y358 VanDerWaalsContact C-N 3.33Å; E356-Y358 PolarHBondContact O-N 2.82Å; Y358-Q360 VanDerWaalsContact C-N 3.34Å; Y358-Q360 PolarHBondContact O-N 2.78Å; Y358-A361 PolarHBondContact O-N 3.06Å; Y358-L362 HydrophobicContact CD1-CD1 4.02Å; Y358-L362 HydrophobicContact CE1-CD1 3.57Å; Y358-L362 HydrophobicContact CE1-CG 4.22Å; Y358-L362 HydrophobicContact CE2-CG 4.45Å; Y358-L362 WeakPolarHBondContact O-CG 3.4Å; Y358-L362 PolarHBondContact O-N 2.74Å |
| 359 | R | 98.3 | Very high | 97.7 | Very high | 128 Ų | 128 | 94.9 Ų | 94.9 | 48% | 0.483 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 174.5 | -179.9 | -176.9 | 178.6 | -79.1 | -5.9 | 111.1 | Y355 E356 L362 L363 | Y355-R359 VanDerWaalsContact O-CB 3.29Å; Y355-R359 WeakPolarHBondContact O-CB 3.25Å; Y355-R359 PolarHBondContact O-N 2.85Å; E356-R359 WeakPolarHBondContact O-CB 3.37Å; E356-R359 PolarHBondContact O-N 3.16Å; R359-L362 PolarHBondContact O-N 3.02Å; R359-L363 HydrophobicContact CG-CD1 4.44Å; R359-L363 WeakPolarHBondContact O-CG 3.37Å; R359-L363 PolarHBondContact O-N 3.46Å |
| 360 | Q | 98.5 | Very high | 97.8 | Very high | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.6 | -67.5 | -61.2 | -16.3 | 0 | 0 | 111.6 | E356 A357 Y358 L362 L363 T364 | E356-Q360 WeakPolarHBondContact O-CG 3.48Å; E356-Q360 PolarHBondContact O-N 2.81Å; A357-Q360 PolarHBondContact O-N 3.2Å; Y358-Q360 VanDerWaalsContact C-N 3.34Å; Y358-Q360 PolarHBondContact O-N 2.78Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 2.79Å; Q360-L363 PolarHBondContact O-N 2.82Å; Q360-L363 VanDerWaalsContact O-N 3.1Å; Q360-T364 PolarHBondContact O-N 3.33Å; Q360-T364 PolarHBondContact O-OG1 3.12Å; Q360-T364 VanDerWaalsContact O-OG1 3.08Å |
| 361 | A | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 94.8 Ų | 94.8 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A357 Y358 T364 E365 | A357-A361 PolarHBondContact O-N 2.8Å; Y358-A361 PolarHBondContact O-N 3.06Å; A361-T364 PolarHBondContact O-N 3.31Å; A361-E365 WeakPolarHBondContact O-CB 3.38Å; A361-E365 PolarHBondContact O-N 2.76Å |
| 362 | L | 98.3 | Very high | 97.8 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 43% | 0.429 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.1 | -70.7 | 175.8 | 0 | 0 | 0 | 112.5 | Y358 R359 Q360 E365 L366 | Y358-L362 HydrophobicContact CD1-CD1 4.02Å; Y358-L362 HydrophobicContact CE1-CD1 3.57Å; Y358-L362 HydrophobicContact CE1-CG 4.22Å; Y358-L362 HydrophobicContact CE2-CG 4.45Å; Y358-L362 WeakPolarHBondContact O-CG 3.4Å; Y358-L362 PolarHBondContact O-N 2.74Å; R359-L362 PolarHBondContact O-N 3.02Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 2.79Å; L362-E365 PolarHBondContact O-N 2.83Å; L362-L366 WeakPolarHBondContact O-CB 3.44Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 2.69Å |
| 363 | L | 98.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 102.2 Ų | 102.2 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.3 | -71 | 174.8 | 0 | 0 | 0 | 111.7 | R359 Q360 L366 E367 | R359-L363 HydrophobicContact CG-CD1 4.44Å; R359-L363 WeakPolarHBondContact O-CG 3.37Å; R359-L363 PolarHBondContact O-N 3.46Å; Q360-L363 PolarHBondContact O-N 2.82Å; Q360-L363 VanDerWaalsContact O-N 3.1Å; L363-L366 PolarHBondContact O-N 3.38Å; L363-E367 PolarHBondContact O-N 2.93Å |
| 364 | T | 98.5 | Very high | 97.5 | Very high | 78 Ų | 78 | 101.3 Ų | 101.3 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.6 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | Q360 A361 L366 E367 N368 | Q360-T364 PolarHBondContact O-N 3.33Å; Q360-T364 PolarHBondContact O-OG1 3.12Å; Q360-T364 VanDerWaalsContact O-OG1 3.08Å; A361-T364 PolarHBondContact O-N 3.31Å; T364-L366 PolarHBondContact O-N 2.77Å; T364-E367 PolarHBondContact O-N 2.69Å; T364-N368 WeakPolarHBondContact O-CB 3.44Å; T364-N368 PolarHBondContact O-N 2.91Å; T364-N368 PolarHBondContact O-ND2 2.9Å; T364-N368 PolarHBondContact O-OD1 3.47Å |
| 365 | E | 98.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 102.5 Ų | 102.5 | 34% | 0.341 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 178.1 | 177.7 | 57.6 | -163.4 | 0 | 0 | 112.4 | A361 L362 N368 R369 | A361-E365 WeakPolarHBondContact O-CB 3.38Å; A361-E365 PolarHBondContact O-N 2.76Å; L362-E365 PolarHBondContact O-N 2.83Å; E365-N368 PolarHBondContact O-N 2.75Å; E365-R369 WeakPolarHBondContact O-CG 3.33Å; E365-R369 PolarHBondContact O-N 2.79Å; E365-R369 IonicContact OE1-CZ 3.4Å; E365-R369 IonicContact OE1-NE 2.81Å; E365-R369 PolarHBondContact OE1-NE 2.67Å; E365-R369 IonicContact OE1-NH2 3.11Å; E365-R369 PolarHBondContact OE1-NH2 3.25Å; E365-R369 VanDerWaalsContact OE1-NH2 3.11Å |
| 366 | L | 98.1 | Very high | 97 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 174.5 | -76.7 | 170.8 | 0 | 0 | 0 | 111.9 | L362 L363 T364 R369 K370 | L362-L366 WeakPolarHBondContact O-CB 3.44Å; L362-L366 VanDerWaalsContact O-CG 3.3Å; L362-L366 WeakPolarHBondContact O-CG 3.44Å; L362-L366 PolarHBondContact O-N 2.69Å; L363-L366 PolarHBondContact O-N 3.38Å; T364-L366 PolarHBondContact O-N 2.77Å; L366-R369 PolarHBondContact O-N 2.61Å; L366-K370 PolarHBondContact O-N 3.15Å |
| 367 | E | 98.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 100.3 Ų | 100.3 | 34% | 0.336 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.3 | -175.1 | 56 | -148.7 | 0 | 0 | 111.2 | L363 T364 R369 K370 Q371 | L363-E367 PolarHBondContact O-N 2.93Å; T364-E367 PolarHBondContact O-N 2.69Å; E367-R369 VanDerWaalsContact C-N 3.31Å; E367-R369 PolarHBondContact O-N 2.93Å; E367-K370 WeakPolarHBondContact O-CB 3.32Å; E367-K370 PolarHBondContact O-N 3.35Å; E367-K370 IonicContact OE2-NZ 2.69Å; E367-K370 PolarHBondContact OE2-NZ 3.16Å; E367-Q371 WeakPolarHBondContact O-CG 3.39Å; E367-Q371 PolarHBondContact O-N 2.75Å; E367-Q371 PolarHBondContact OE1-NE2 3.28Å |
| 368 | N | 97.9 | Very high | 96 | Very high | 68 Ų | 68 | 103.1 Ų | 103.1 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 174.2 | -72.1 | -15.1 | 0 | 0 | 0 | 112.1 | T364 E365 R372 | T364-N368 WeakPolarHBondContact O-CB 3.44Å; T364-N368 PolarHBondContact O-N 2.91Å; T364-N368 PolarHBondContact O-ND2 2.9Å; T364-N368 PolarHBondContact O-OD1 3.47Å; E365-N368 PolarHBondContact O-N 2.75Å; N368-R372 VanDerWaalsContact O-CB 3.27Å; N368-R372 WeakPolarHBondContact O-CB 3.45Å; N368-R372 PolarHBondContact O-N 3.43Å |
| 369 | R | 97.3 | Very high | 94.9 | Very high | 144 Ų | 144 | 99.9 Ų | 99.9 | 54% | 0.543 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 177 | -73.2 | -179.5 | -171.8 | -171.3 | 2.9 | 112.1 | E365 L366 E367 R372 Q373 | E365-R369 WeakPolarHBondContact O-CG 3.33Å; E365-R369 PolarHBondContact O-N 2.79Å; E365-R369 IonicContact OE1-CZ 3.4Å; E365-R369 IonicContact OE1-NE 2.81Å; E365-R369 PolarHBondContact OE1-NE 2.67Å; E365-R369 IonicContact OE1-NH2 3.11Å; E365-R369 PolarHBondContact OE1-NH2 3.25Å; E365-R369 VanDerWaalsContact OE1-NH2 3.11Å; L366-R369 PolarHBondContact O-N 2.61Å; E367-R369 VanDerWaalsContact C-N 3.31Å; E367-R369 PolarHBondContact O-N 2.93Å; R369-R372 PolarHBondContact O-N 3.27Å; R369-Q373 WeakPolarHBondContact O-CG 3.45Å; R369-Q373 PolarHBondContact O-N 2.79Å |
| 370 | K | 97.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 100.4 Ų | 100.4 | 44% | 0.443 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 177.1 | 178.7 | -174.7 | 165.6 | -157.1 | 0 | 111.4 | L366 E367 R372 Q373 Q374 | L366-K370 PolarHBondContact O-N 3.15Å; E367-K370 WeakPolarHBondContact O-CB 3.32Å; E367-K370 PolarHBondContact O-N 3.35Å; E367-K370 IonicContact OE2-NZ 2.69Å; E367-K370 PolarHBondContact OE2-NZ 3.16Å; K370-R372 VanDerWaalsContact C-N 3.32Å; K370-R372 PolarHBondContact O-N 2.94Å; K370-Q373 PolarHBondContact O-N 2.93Å; K370-Q374 WeakPolarHBondContact O-CG 3.35Å; K370-Q374 PolarHBondContact O-N 2.98Å |
| 371 | Q | 96.2 | Very high | 91.5 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.7 | -70.1 | 178 | 15.7 | 0 | 0 | 111.5 | E367 Q373 Q374 W375 | E367-Q371 WeakPolarHBondContact O-CG 3.39Å; E367-Q371 PolarHBondContact O-N 2.75Å; E367-Q371 PolarHBondContact OE1-NE2 3.28Å; Q371-Q373 PolarHBondContact O-N 2.81Å; Q371-Q374 PolarHBondContact O-N 3.46Å; Q371-W375 WeakPolarHBondContact O-CB 3.26Å; Q371-W375 PolarHBondContact O-N 3.02Å |
| 372 | R | 95.4 | Very high | 89.7 | Confident | 142 Ų | 142 | 103.6 Ų | 103.6 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.6 | -167 | -175.1 | -54.5 | -171.1 | 3.3 | 112.3 | N368 R369 K370 W375 Y376 | N368-R372 VanDerWaalsContact O-CB 3.27Å; N368-R372 WeakPolarHBondContact O-CB 3.45Å; N368-R372 PolarHBondContact O-N 3.43Å; R369-R372 PolarHBondContact O-N 3.27Å; K370-R372 VanDerWaalsContact C-N 3.32Å; K370-R372 PolarHBondContact O-N 2.94Å; R372-W375 PolarHBondContact O-N 3.1Å; R372-Y376 HydrophobicContact CG-CD2 4.07Å; R372-Y376 HydrophobicContact CG-CE2 3.54Å; R372-Y376 WeakPolarHBondContact O-CD2 3.21Å; R372-Y376 PolarHBondContact O-N 3.02Å; R372-Y376 VanDerWaalsContact O-N 3.1Å |
| 373 | Q | 94.6 | Very high | 87.6 | Confident | 142 Ų | 142 | 106.2 Ų | 106.2 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 175.8 | -76.1 | 178.5 | -7.7 | 0 | 0 | 112 | R369 K370 Q371 W375 Y376 A377 | R369-Q373 WeakPolarHBondContact O-CG 3.45Å; R369-Q373 PolarHBondContact O-N 2.79Å; K370-Q373 PolarHBondContact O-N 2.93Å; Q371-Q373 PolarHBondContact O-N 2.81Å; Q373-W375 VanDerWaalsContact C-N 3.32Å; Q373-W375 PolarHBondContact O-N 3.47Å; Q373-Y376 PolarHBondContact O-N 2.56Å; Q373-A377 PolarHBondContact O-N 2.77Å |
| 374 | Q | 93.8 | Very high | 85.2 | Confident | 96 Ų | 96 | 114.9 Ų | 114.9 | 45% | 0.449 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.6 | -70.9 | 175.3 | -5 | 0 | 0 | 111.8 | K370 Q371 A377 Q378 | K370-Q374 WeakPolarHBondContact O-CG 3.35Å; K370-Q374 PolarHBondContact O-N 2.98Å; Q371-Q374 PolarHBondContact O-N 3.46Å; Q374-A377 PolarHBondContact O-N 3.31Å; Q374-Q378 WeakPolarHBondContact O-CG 3.15Å; Q374-Q378 PolarHBondContact O-N 3.02Å |
| 375 | W | 93.2 | Very high | 84.5 | Confident | 140 Ų | 140 | 116.8 Ų | 116.8 | 53% | 0.53 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.4 | -49.3 | 176.3 | -174.5 | 90.5 | 0 | 0 | 0 | 111.4 | Q371 R372 Q373 A377 Q378 Q379 | Q371-W375 WeakPolarHBondContact O-CB 3.26Å; Q371-W375 PolarHBondContact O-N 3.02Å; R372-W375 PolarHBondContact O-N 3.1Å; Q373-W375 VanDerWaalsContact C-N 3.32Å; Q373-W375 PolarHBondContact O-N 3.47Å; W375-A377 PolarHBondContact O-N 3.4Å; W375-Q378 PolarHBondContact O-N 3.25Å; W375-Q379 HydrophobicContact CD2-CG 4.15Å; W375-Q379 HydrophobicContact CE3-CG 4.13Å; W375-Q379 HydrophobicContact CH2-CG 3.99Å; W375-Q379 HydrophobicContact CZ2-CG 4.02Å; W375-Q379 HydrophobicContact CZ3-CG 4.04Å; W375-Q379 WeakPolarHBondContact O-CG 3.43Å; W375-Q379 PolarHBondContact O-N 2.86Å; W375-Q379 VanDerWaalsContact O-N 3.17Å |
| 376 | Y | 92.1 | Very high | 83.8 | Confident | 125 Ų | 125 | 119.1 Ų | 119.1 | 49% | 0.49 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.8 | -43.3 | 176.7 | -72 | -59 | 0 | 0 | 0 | 112.3 | R372 Q373 Q378 Q379 H380 | R372-Y376 HydrophobicContact CG-CD2 4.07Å; R372-Y376 HydrophobicContact CG-CE2 3.54Å; R372-Y376 WeakPolarHBondContact O-CD2 3.21Å; R372-Y376 PolarHBondContact O-N 3.02Å; R372-Y376 VanDerWaalsContact O-N 3.1Å; Q373-Y376 PolarHBondContact O-N 2.56Å; Y376-Q378 VanDerWaalsContact C-N 3.3Å; Y376-Q378 PolarHBondContact O-N 2.91Å; Y376-Q379 PolarHBondContact O-N 3.04Å; Y376-H380 PolarHBondContact O-CD2 3.13Å; Y376-H380 PolarHBondContact O-N 2.9Å |
| 377 | A | 89.9 | Confident | 83 | Confident | 69 Ų | 69 | 119.5 Ų | 119.5 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.4 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q373 Q374 W375 | Q373-A377 PolarHBondContact O-N 2.77Å; Q374-A377 PolarHBondContact O-N 3.31Å; W375-A377 PolarHBondContact O-N 3.4Å |
| 378 | Q | 84.8 | Confident | 82.1 | Confident | 121 Ų | 121 | 122.3 Ų | 122.3 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.1 | -33.3 | 177.7 | -70.9 | 173.8 | 29.6 | 0 | 0 | 113.2 | Q374 W375 Y376 G381 | Q374-Q378 WeakPolarHBondContact O-CG 3.15Å; Q374-Q378 PolarHBondContact O-N 3.02Å; W375-Q378 PolarHBondContact O-N 3.25Å; Y376-Q378 VanDerWaalsContact C-N 3.3Å; Y376-Q378 PolarHBondContact O-N 2.91Å; Q378-G381 PolarHBondContact O-N 3.4Å |
| 379 | Q | 75.9 | Confident | 81.1 | Confident | 76 Ų | 76 | 125.7 Ų | 125.7 | 36% | 0.355 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.7 | -34.9 | 177.2 | -64.6 | -61.6 | -18.9 | 0 | 0 | 112 | W375 Y376 G381 K382 | W375-Q379 HydrophobicContact CD2-CG 4.15Å; W375-Q379 HydrophobicContact CE3-CG 4.13Å; W375-Q379 HydrophobicContact CH2-CG 3.99Å; W375-Q379 HydrophobicContact CZ2-CG 4.02Å; W375-Q379 HydrophobicContact CZ3-CG 4.04Å; W375-Q379 WeakPolarHBondContact O-CG 3.43Å; W375-Q379 PolarHBondContact O-N 2.86Å; W375-Q379 VanDerWaalsContact O-N 3.17Å; Y376-Q379 PolarHBondContact O-N 3.04Å; Q379-G381 VanDerWaalsContact C-N 3.26Å; Q379-G381 PolarHBondContact O-N 2.92Å; Q379-K382 PolarHBondContact O-N 3.24Å |
| 380 | H | 64.6 | Low | 80 | Confident | 139 Ų | 139 | 124.5 Ų | 124.5 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.8 | -22 | 175.8 | -77.5 | -72.4 | 0 | 0 | 0 | 113.9 | Y376 | Y376-H380 PolarHBondContact O-CD2 3.13Å; Y376-H380 PolarHBondContact O-N 2.9Å |
| 381 | G | 60.1 | Low | 78.8 | Confident | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -10.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q378 Q379 | Q378-G381 PolarHBondContact O-N 3.4Å; Q379-G381 VanDerWaalsContact C-N 3.26Å; Q379-G381 PolarHBondContact O-N 2.92Å |
| 382 | K | 59.8 | Low | 77.5 | Confident | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -99 | -4.6 | -176.8 | -71.7 | -178.1 | 178.1 | 179.4 | 0 | 114.6 | Q379 | Q379-K382 PolarHBondContact O-N 3.24Š|
| 383 | N | 54.8 | Low | 76 | Confident | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | trans | -107.1 | 24.9 | -176.2 | -73.9 | -37.7 | 0 | 0 | 0 | 113.7 | ||||
| 384 | F | 48 | Very low | 74.3 | Confident | 256 Ų | 256 | 125.3 Ų | 125.3 | 100% | 1.123 | 62% | 0.616 | S | S | * | * | trans | -124.3 | 0 | 175.2 | -85.9 | -78.8 | 0 | 0 | 0 | 111.8 |
Retrieved 384 of 384 residues in 269.6 ms
(Link to these results)