| 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 | 28.7 | Very low | 62.4 | Low | 215 Ų | 215 | 104.8 Ų | 104.8 | 100% | 1.059 | 54% | 0.538 | S | S | * | . | 0 | 126 | 0 | -65.3 | -173.6 | -70.6 | 0 | 0 | 107.7 | |||||
| 2 | G | 40.8 | Very low | 64.4 | Low | 73 Ų | 73 | 100.4 Ų | 100.4 | 75% | 0.753 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -96 | 136 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 3 | L | 41.9 | Very low | 66.1 | Low | 103 Ų | 103 | 100.6 Ų | 100.6 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 143.5 | 158.1 | -76.5 | 153.4 | 0 | 0 | 0 | 108.1 | E7 N35 | L3-E7 HydrophobicContact CB-CB 4.32Å; L3-E7 HydrophobicContact CD2-CB 4.34Å; L3-N35 HydrophobicContact CD1-CB 4.44Å; L3-N35 WeakPolarHBondContact CD1-ND2 3.45Å |
| 4 | N | 53.4 | Low | 67.6 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 151.2 | -176.2 | -67.6 | -78.7 | 0 | 0 | 0 | 111 | Y6 E7 Q8 | N4-Y6 PolarHBondContact O-N 3.26Å; N4-E7 HydrophobicContact CB-CG 4.29Å; N4-E7 VanDerWaalsContact CB-OE2 3.29Å; N4-E7 WeakPolarHBondContact CB-OE2 3.29Å; N4-E7 PolarHBondContact N-OE2 2.95Å; N4-E7 PolarHBondContact ND2-OE2 3.04Å; N4-E7 PolarHBondContact O-N 3.04Å; N4-Q8 PolarHBondContact O-N 3.03Å |
| 5 | N | 63.4 | Low | 69.2 | Low | 130 Ų | 130 | 91.9 Ų | 91.9 | 70% | 0.695 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -54.5 | -24.7 | 173.6 | -80.8 | -40.5 | 0 | 0 | 0 | 113 | K9 | N5-K9 WeakPolarHBondContact O-CB 3.15Å; N5-K9 VanDerWaalsContact O-CG 3.25Å; N5-K9 WeakPolarHBondContact O-CG 3.33Å; N5-K9 PolarHBondContact O-N 3.13Å |
| 6 | Y | 70 | Confident | 70.3 | Confident | 175 Ų | 175 | 92.8 Ų | 92.8 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.4 | -48.8 | 171.5 | -171 | -90.8 | 0 | 0 | 0 | 111.9 | N4 Q8 K9 D10 | N4-Y6 PolarHBondContact O-N 3.26Å; Y6-Q8 PolarHBondContact O-N 2.79Å; Y6-K9 PolarHBondContact O-N 3.3Å; Y6-D10 WeakPolarHBondContact O-CB 3.41Å; Y6-D10 PolarHBondContact O-N 3.47Å |
| 7 | E | 71 | Confident | 71.1 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | -179.1 | -63.8 | 169.5 | 110.7 | 0 | 0 | 111.8 | L3 N4 D10 L11 | L3-E7 HydrophobicContact CB-CB 4.32Å; L3-E7 HydrophobicContact CD2-CB 4.34Å; N4-E7 HydrophobicContact CB-CG 4.29Å; N4-E7 VanDerWaalsContact CB-OE2 3.29Å; N4-E7 WeakPolarHBondContact CB-OE2 3.29Å; N4-E7 PolarHBondContact N-OE2 2.95Å; N4-E7 PolarHBondContact ND2-OE2 3.04Å; N4-E7 PolarHBondContact O-N 3.04Å; E7-D10 PolarHBondContact O-N 3.44Å; E7-L11 VanDerWaalsContact O-CB 3.26Å; E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 PolarHBondContact O-N 2.58Å |
| 8 | Q | 73.2 | Confident | 72 | Confident | 64 Ų | 64 | 87.1 Ų | 87.1 | 30% | 0.299 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 174.6 | -169.3 | 179.2 | 31.6 | 0 | 0 | 112.2 | N4 Y6 L12 N35 | N4-Q8 PolarHBondContact O-N 3.03Å; Y6-Q8 PolarHBondContact O-N 2.79Å; Q8-L12 WeakPolarHBondContact O-CB 3.27Å; Q8-L12 PolarHBondContact O-N 3.03Å; Q8-N35 WeakPolarHBondContact CG-OD1 3.38Å; Q8-N35 PolarHBondContact NE2-OD1 2.87Å |
| 9 | K | 77.2 | Confident | 72.8 | Confident | 154 Ų | 154 | 84.4 Ų | 84.4 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67 | -40.2 | 173.3 | -78.5 | 180 | 176.3 | -167.3 | 0 | 112.1 | N5 Y6 L12 R13 | N5-K9 WeakPolarHBondContact O-CB 3.15Å; N5-K9 VanDerWaalsContact O-CG 3.25Å; N5-K9 WeakPolarHBondContact O-CG 3.33Å; N5-K9 PolarHBondContact O-N 3.13Å; Y6-K9 PolarHBondContact O-N 3.3Å; K9-L12 PolarHBondContact O-N 3.34Å; K9-R13 WeakPolarHBondContact O-CB 3.26Å; K9-R13 PolarHBondContact O-N 2.82Å |
| 10 | D | 82.4 | Confident | 73.3 | Confident | 20 Ų | 20 | 84.6 Ų | 84.6 | 11% | 0.107 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.7 | -162.3 | 78.3 | 0 | 0 | 0 | 110.9 | Y6 E7 L12 R13 R14 | Y6-D10 WeakPolarHBondContact O-CB 3.41Å; Y6-D10 PolarHBondContact O-N 3.47Å; E7-D10 PolarHBondContact O-N 3.44Å; D10-L12 PolarHBondContact O-N 3.18Å; D10-R13 WeakPolarHBondContact O-CB 3.19Å; D10-R13 PolarHBondContact O-N 3.39Å; D10-R13 IonicContact OD1-CZ 2.69Å; D10-R13 VanDerWaalsContact OD1-CZ 3.24Å; D10-R13 IonicContact OD1-NH1 3.37Å; D10-R13 PolarHBondContact OD1-NH1 2.67Å; D10-R13 IonicContact OD1-NH2 2.81Å; D10-R13 PolarHBondContact OD1-NH2 3.39Å; D10-R13 IonicContact OD2-NH2 3.89Å; D10-R14 WeakPolarHBondContact O-CG 3.34Å; D10-R14 PolarHBondContact O-N 2.96Å; D10-R14 IonicContact OD2-CZ 2.86Å; D10-R14 IonicContact OD2-NE 3.76Å; D10-R14 PolarHBondContact OD2-NE 3.31Å; D10-R14 IonicContact OD2-NH2 3.91Å; D10-R14 PolarHBondContact OD2-NH2 3.43Å |
| 11 | L | 84.9 | Confident | 73.5 | Confident | 26 Ų | 26 | 85.2 Ų | 85.2 | 14% | 0.136 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 172.1 | 179.2 | 67.9 | 0 | 0 | 0 | 112.3 | E7 R13 R14 I15 P31 N35 F37 L113 | E7-L11 VanDerWaalsContact O-CB 3.26Å; E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 PolarHBondContact O-N 2.58Å; L11-R13 VanDerWaalsContact C-N 3.29Å; L11-R13 PolarHBondContact O-N 3.06Å; L11-R14 PolarHBondContact O-N 3.1Å; L11-I15 HydrophobicContact CD1-CD1 4.1Å; L11-I15 HydrophobicContact CG-CD1 4.01Å; L11-I15 WeakPolarHBondContact O-CG1 3.11Å; L11-I15 PolarHBondContact O-N 3Å; L11-P31 HydrophobicContact CD2-CB 4.04Å; L11-P31 HydrophobicContact CD2-CG 4.26Å; L11-N35 HydrophobicContact CD2-CB 4.42Å; L11-F37 HydrophobicContact CD1-CE1 3.71Å; L11-F37 HydrophobicContact CD1-CZ 3.87Å; L11-F37 HydrophobicContact CD2-CD1 4.2Å; L11-F37 HydrophobicContact CD2-CE1 3.84Å; L11-F37 HydrophobicContact CG-CE1 4.24Å; L11-L113 HydrophobicContact CD1-CD2 3.59Å |
| 12 | L | 86.5 | Confident | 76 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.3 | -175.9 | 67.8 | 0 | 0 | 0 | 111.6 | Q8 K9 D10 K16 E30 P31 | Q8-L12 WeakPolarHBondContact O-CB 3.27Å; Q8-L12 PolarHBondContact O-N 3.03Å; K9-L12 PolarHBondContact O-N 3.34Å; D10-L12 PolarHBondContact O-N 3.18Å; L12-K16 HydrophobicContact CG-CD 4.45Å; L12-K16 WeakPolarHBondContact O-CG 3.09Å; L12-K16 PolarHBondContact O-N 3.33Å; L12-E30 HydrophobicContact CD1-CB 4.27Å; L12-E30 HydrophobicContact CD1-CG 4.01Å; L12-P31 HydrophobicContact CD1-CG 4.24Å |
| 13 | R | 85.9 | Confident | 77.9 | Confident | 103 Ų | 103 | 82.2 Ų | 82.2 | 39% | 0.389 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | 175.3 | -161.6 | -166.6 | 64.9 | -103.9 | -11 | 111 | K9 D10 L11 I15 K16 E17 | K9-R13 WeakPolarHBondContact O-CB 3.26Å; K9-R13 PolarHBondContact O-N 2.82Å; D10-R13 WeakPolarHBondContact O-CB 3.19Å; D10-R13 PolarHBondContact O-N 3.39Å; D10-R13 IonicContact OD1-CZ 2.69Å; D10-R13 VanDerWaalsContact OD1-CZ 3.24Å; D10-R13 IonicContact OD1-NH1 3.37Å; D10-R13 PolarHBondContact OD1-NH1 2.67Å; D10-R13 IonicContact OD1-NH2 2.81Å; D10-R13 PolarHBondContact OD1-NH2 3.39Å; D10-R13 IonicContact OD2-NH2 3.89Å; L11-R13 VanDerWaalsContact C-N 3.29Å; L11-R13 PolarHBondContact O-N 3.06Å; R13-I15 VanDerWaalsContact C-N 3.29Å; R13-I15 PolarHBondContact O-N 3.33Å; R13-K16 CarbonylContact O-C 3.48Å; R13-K16 WeakPolarHBondContact O-CA 3.07Å; R13-K16 PolarHBondContact O-N 3.28Å; R13-E17 WeakPolarHBondContact CD-OE1 3.4Å; R13-E17 HydrophobicContact CG-CG 4.44Å; R13-E17 VanDerWaalsContact CG-OE1 3.31Å; R13-E17 WeakPolarHBondContact CG-OE1 3.32Å; R13-E17 IonicContact CZ-OE1 2.71Å; R13-E17 IonicContact NE-OE1 3.32Å; R13-E17 PolarHBondContact NE-OE1 3.14Å; R13-E17 IonicContact NE-OE2 3.68Å; R13-E17 VanDerWaalsContact O-CG 3.32Å; R13-E17 WeakPolarHBondContact O-CG 3.05Å; R13-E17 PolarHBondContact O-N 3.48Å |
| 14 | R | 87.9 | Confident | 79.6 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -55.9 | -41.8 | 174.7 | -66.7 | -179.8 | -152.8 | -159.2 | 1.7 | 112.4 | D10 L11 K16 E17 W18 L113 N114 | D10-R14 WeakPolarHBondContact O-CG 3.34Å; D10-R14 PolarHBondContact O-N 2.96Å; D10-R14 IonicContact OD2-CZ 2.86Å; D10-R14 IonicContact OD2-NE 3.76Å; D10-R14 PolarHBondContact OD2-NE 3.31Å; D10-R14 IonicContact OD2-NH2 3.91Å; D10-R14 PolarHBondContact OD2-NH2 3.43Å; L11-R14 PolarHBondContact O-N 3.1Å; R14-K16 VanDerWaalsContact C-N 3.33Å; R14-K16 PolarHBondContact O-N 3.12Å; R14-E17 WeakPolarHBondContact CA-OE2 3.45Å; R14-E17 PolarHBondContact O-N 2.9Å; R14-W18 VanDerWaalsContact O-CB 3.29Å; R14-W18 WeakPolarHBondContact O-CB 3.46Å; R14-W18 PolarHBondContact O-N 3.15Å; R14-L113 HydrophobicContact CB-CD1 4Å; R14-L113 HydrophobicContact CB-CD2 4.45Å; R14-L113 HydrophobicContact CB-CG 4.13Å; R14-N114 PolarHBondContact NH1-OD1 3.48Å |
| 15 | I | 90.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66 | -35.5 | 177.2 | -71.9 | 169.6 | 0 | 0 | 0 | 111.3 | L11 R13 N19 I28 P31 F37 L113 | L11-I15 HydrophobicContact CD1-CD1 4.1Å; L11-I15 HydrophobicContact CG-CD1 4.01Å; L11-I15 WeakPolarHBondContact O-CG1 3.11Å; L11-I15 PolarHBondContact O-N 3Å; R13-I15 VanDerWaalsContact C-N 3.29Å; R13-I15 PolarHBondContact O-N 3.33Å; I15-N19 VanDerWaalsContact O-CB 3.24Å; I15-N19 WeakPolarHBondContact O-CB 3.41Å; I15-N19 PolarHBondContact O-N 2.92Å; I15-N19 PolarHBondContact O-ND2 2.94Å; I15-I28 HydrophobicContact CD1-CG2 4.22Å; I15-I28 HydrophobicContact CG1-CG2 4.13Å; I15-I28 HydrophobicContact CG2-CB 4.23Å; I15-I28 HydrophobicContact CG2-CG2 4.18Å; I15-P31 HydrophobicContact CD1-CG 4.42Å; I15-F37 HydrophobicContact CD1-CD1 4.18Å; I15-F37 HydrophobicContact CD1-CD2 3.98Å; I15-F37 HydrophobicContact CD1-CE1 4.32Å; I15-F37 HydrophobicContact CD1-CE2 4.1Å; I15-F37 HydrophobicContact CD1-CG 4Å; I15-F37 HydrophobicContact CD1-CZ 4.27Å; I15-L113 HydrophobicContact CD1-CD2 4.28Å; I15-L113 HydrophobicContact CG1-CD1 4.04Å; I15-L113 HydrophobicContact CG1-CD2 3.74Å |
| 16 | K | 86.5 | Confident | 82.1 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 46% | 0.457 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.7 | -42.1 | 174.8 | -72.1 | 179.9 | -176.7 | -168.5 | 0 | 112.4 | L12 R13 R14 N19 A20 E30 | L12-K16 HydrophobicContact CG-CD 4.45Å; L12-K16 WeakPolarHBondContact O-CG 3.09Å; L12-K16 PolarHBondContact O-N 3.33Å; R13-K16 CarbonylContact O-C 3.48Å; R13-K16 WeakPolarHBondContact O-CA 3.07Å; R13-K16 PolarHBondContact O-N 3.28Å; R14-K16 VanDerWaalsContact C-N 3.33Å; R14-K16 PolarHBondContact O-N 3.12Å; K16-N19 PolarHBondContact O-N 3.27Å; K16-A20 VanDerWaalsContact O-CB 3.3Å; K16-A20 WeakPolarHBondContact O-CB 3.44Å; K16-A20 PolarHBondContact O-N 3.17Å; K16-E30 WeakPolarHBondContact CE-OE1 3.47Å; K16-E30 IonicContact NZ-OE1 3.71Å; K16-E30 PolarHBondContact NZ-OE1 3.03Å |
| 17 | E | 84.5 | Confident | 82.9 | Confident | 75 Ų | 75 | 75.7 Ų | 75.7 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 172.3 | -69 | 160.2 | 175.5 | 0 | 0 | 111.2 | R13 R14 T21 | R13-E17 WeakPolarHBondContact CD-OE1 3.4Å; R13-E17 HydrophobicContact CG-CG 4.44Å; R13-E17 VanDerWaalsContact CG-OE1 3.31Å; R13-E17 WeakPolarHBondContact CG-OE1 3.32Å; R13-E17 IonicContact CZ-OE1 2.71Å; R13-E17 IonicContact NE-OE1 3.32Å; R13-E17 PolarHBondContact NE-OE1 3.14Å; R13-E17 IonicContact NE-OE2 3.68Å; R13-E17 VanDerWaalsContact O-CG 3.32Å; R13-E17 WeakPolarHBondContact O-CG 3.05Å; R13-E17 PolarHBondContact O-N 3.48Å; R14-E17 WeakPolarHBondContact CA-OE2 3.45Å; R14-E17 PolarHBondContact O-N 2.9Å; E17-T21 WeakPolarHBondContact O-CG2 3.49Å; E17-T21 PolarHBondContact O-N 3.37Å; E17-T21 PolarHBondContact O-OG1 2.98Å |
| 18 | W | 87.2 | Confident | 83.8 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 173.6 | 179.5 | -83.3 | 0 | 0 | 0 | 112.3 | R14 A20 T21 R22 F26 I28 Q112 L113 T116 | R14-W18 VanDerWaalsContact O-CB 3.29Å; R14-W18 WeakPolarHBondContact O-CB 3.46Å; R14-W18 PolarHBondContact O-N 3.15Å; W18-A20 VanDerWaalsContact C-N 3.29Å; W18-A20 PolarHBondContact O-N 3.37Å; W18-T21 PolarHBondContact O-N 3.06Å; W18-T21 PolarHBondContact O-OG1 3.33Å; W18-R22 HydrophobicContact CD2-CG 4.21Å; W18-R22 HydrophobicContact CZ2-CG 3.96Å; W18-R22 WeakPolarHBondContact O-CB 3.46Å; W18-R22 WeakPolarHBondContact O-CG 3.3Å; W18-R22 PolarHBondContact O-N 3.5Å; W18-F26 PolarHBondContact NE1-O 2.73Å; W18-F26 VanDerWaalsContact NE1-O 3.08Å; W18-I28 HydrophobicContact CD2-CD1 4.13Å; W18-I28 HydrophobicContact CG-CD1 3.86Å; W18-I28 HydrophobicContact CG-CG1 4.49Å; W18-Q112 HydrophobicContact CH2-CG 3.45Å; W18-Q112 VanDerWaalsContact CH2-CG 3.45Å; W18-Q112 HydrophobicContact CZ2-CG 4.01Å; W18-Q112 HydrophobicContact CZ3-CG 3.89Å; W18-Q112 VanDerWaalsContact CZ3-O 3.29Å; W18-Q112 WeakPolarHBondContact CZ3-O 3.46Å; W18-L113 HydrophobicContact CB-CD1 4.04Å; W18-L113 HydrophobicContact CG-CD1 4.43Å; W18-T116 HydrophobicContact CE3-CG2 3.72Å; W18-T116 HydrophobicContact CZ3-CG2 4.09Å |
| 19 | N | 87 | Confident | 84.6 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.6 | -25.3 | -178.1 | -73.6 | -16.3 | 0 | 0 | 0 | 113.5 | I15 K16 K27 I28 | I15-N19 VanDerWaalsContact O-CB 3.24Å; I15-N19 WeakPolarHBondContact O-CB 3.41Å; I15-N19 PolarHBondContact O-N 2.92Å; I15-N19 PolarHBondContact O-ND2 2.94Å; K16-N19 PolarHBondContact O-N 3.27Å; N19-K27 HydrophobicContact CB-CG 4.4Å; N19-K27 WeakPolarHBondContact OD1-CA 3.48Å; N19-I28 PolarHBondContact ND2-O 3.16Å; N19-I28 PolarHBondContact OD1-N 3.47Å |
| 20 | A | 82.8 | Confident | 85 | Confident | 89 Ų | 89 | 69 Ų | 69 | 74% | 0.736 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -78.6 | -20.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K16 W18 | K16-A20 VanDerWaalsContact O-CB 3.3Å; K16-A20 WeakPolarHBondContact O-CB 3.44Å; K16-A20 PolarHBondContact O-N 3.17Å; W18-A20 VanDerWaalsContact C-N 3.29Å; W18-A20 PolarHBondContact O-N 3.37Å |
| 21 | T | 78.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 69 Ų | 69 | 60% | 0.595 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -108.6 | -2.1 | -173.8 | 52.3 | 0 | 0 | 0 | 0 | 114 | E17 W18 | E17-T21 WeakPolarHBondContact O-CG2 3.49Å; E17-T21 PolarHBondContact O-N 3.37Å; E17-T21 PolarHBondContact O-OG1 2.98Å; W18-T21 PolarHBondContact O-N 3.06Å; W18-T21 PolarHBondContact O-OG1 3.33Å |
| 22 | R | 79.5 | Confident | 84.9 | Confident | 91 Ų | 91 | 71 Ų | 71 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -131 | 151.8 | -175.4 | -59.1 | -62.3 | -170.7 | 169.6 | 5 | 111.8 | W18 E121 | W18-R22 HydrophobicContact CD2-CG 4.21Å; W18-R22 HydrophobicContact CZ2-CG 3.96Å; W18-R22 WeakPolarHBondContact O-CB 3.46Å; W18-R22 WeakPolarHBondContact O-CG 3.3Å; W18-R22 PolarHBondContact O-N 3.5Å; R22-E121 IonicContact CZ-OE1 3.19Å; R22-E121 IonicContact NH1-OE1 3.84Å; R22-E121 PolarHBondContact NH1-OE1 3.23Å; R22-E121 IonicContact NH2-OE1 4Å; R22-E121 PolarHBondContact NH2-OE1 2.89Å |
| 23 | L | 81.3 | Confident | 84.2 | Confident | 135 Ų | 135 | 78.7 Ų | 78.7 | 71% | 0.707 | 39% | 0.394 | S | S | * | . | trans | -58.6 | 146 | 176.4 | -61.4 | 172.6 | 0 | 0 | 0 | 111.7 | L25 F26 | L23-L25 PolarHBondContact O-N 2.78Å; L23-F26 WeakPolarHBondContact O-CA 3.37Å; L23-F26 PolarHBondContact O-N 2.98Å | ||
| 24 | D | 77.2 | Confident | 83.4 | Confident | 117 Ų | 117 | 80 Ų | 80 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -54.3 | -25.5 | -178.7 | -93.6 | -44.6 | 0 | 0 | 0 | 114.9 | F26 K27 | D24-F26 PolarHBondContact O-N 2.66Å; D24-K27 WeakPolarHBondContact O-CB 3.47Å; D24-K27 PolarHBondContact O-N 3.37Å; D24-K27 VanDerWaalsContact O-N 3.11Å; D24-K27 VanDerWaalsContact OD1-CD 3.29Å; D24-K27 WeakPolarHBondContact OD1-CD 3.26Å; D24-K27 WeakPolarHBondContact OD1-CE 3.37Å; D24-K27 IonicContact OD1-NZ 2.71Å; D24-K27 PolarHBondContact OD1-NZ 2.97Å |
| 25 | L | 81.3 | Confident | 82.9 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.6 | 173 | -177.5 | 61.3 | 0 | 0 | 0 | 113.3 | L23 V40 | L23-L25 PolarHBondContact O-N 2.78Å; L25-V40 WeakPolarHBondContact O-CB 3.43Å; L25-V40 WeakPolarHBondContact O-CG2 3.29Å |
| 26 | F | 88.3 | Confident | 82.5 | Confident | 34 Ų | 34 | 81.3 Ų | 81.3 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -107.5 | 13.4 | 178.2 | -65.4 | -77.9 | 0 | 0 | 0 | 112.8 | W18 L23 D24 I28 V40 R42 | W18-F26 PolarHBondContact NE1-O 2.73Å; W18-F26 VanDerWaalsContact NE1-O 3.08Å; L23-F26 WeakPolarHBondContact O-CA 3.37Å; L23-F26 PolarHBondContact O-N 2.98Å; D24-F26 PolarHBondContact O-N 2.66Å; F26-I28 PolarHBondContact O-N 2.81Å; F26-V40 HydrophobicContact CD1-CB 4.43Å; F26-V40 HydrophobicContact CD1-CG1 4.37Å; F26-V40 WeakPolarHBondContact CD1-O 3.48Å; F26-V40 HydrophobicContact CE1-CG1 4.25Å; F26-R42 HydrophobicContact CE1-CB 4.18Å |
| 27 | K | 86.3 | Confident | 82.8 | Confident | 111 Ų | 111 | 76.3 Ų | 76.3 | 48% | 0.483 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.4 | 175.7 | -163.1 | -179.6 | -144.2 | 137.3 | 0 | 110.6 | N19 D24 | N19-K27 HydrophobicContact CB-CG 4.4Å; N19-K27 WeakPolarHBondContact OD1-CA 3.48Å; D24-K27 WeakPolarHBondContact O-CB 3.47Å; D24-K27 PolarHBondContact O-N 3.37Å; D24-K27 VanDerWaalsContact O-N 3.11Å; D24-K27 VanDerWaalsContact OD1-CD 3.29Å; D24-K27 WeakPolarHBondContact OD1-CD 3.26Å; D24-K27 WeakPolarHBondContact OD1-CE 3.37Å; D24-K27 IonicContact OD1-NZ 2.71Å; D24-K27 PolarHBondContact OD1-NZ 2.97Å |
| 28 | I | 91.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 134 | 174.2 | -59.7 | 178.3 | 0 | 0 | 0 | 107.9 | I15 W18 N19 F26 F37 N38 L109 L113 | I15-I28 HydrophobicContact CD1-CG2 4.22Å; I15-I28 HydrophobicContact CG1-CG2 4.13Å; I15-I28 HydrophobicContact CG2-CB 4.23Å; I15-I28 HydrophobicContact CG2-CG2 4.18Å; W18-I28 HydrophobicContact CD2-CD1 4.13Å; W18-I28 HydrophobicContact CG-CD1 3.86Å; W18-I28 HydrophobicContact CG-CG1 4.49Å; N19-I28 PolarHBondContact ND2-O 3.16Å; N19-I28 PolarHBondContact OD1-N 3.47Å; F26-I28 PolarHBondContact O-N 2.81Å; I28-F37 HydrophobicContact CG2-CD2 3.43Å; I28-F37 VanDerWaalsContact CG2-CD2 3.43Å; I28-F37 HydrophobicContact CG2-CE2 3.93Å; I28-F37 HydrophobicContact CG2-CG 4.41Å; I28-N38 CarbonylContact C-O 3.6Å; I28-N38 WeakPolarHBondContact CA-O 3.48Å; I28-L109 HydrophobicContact CD1-CD1 4Å; I28-L109 HydrophobicContact CG1-CD1 4.28Å; I28-L113 HydrophobicContact CD1-CD1 4.2Å |
| 29 | S | 90.5 | Very high | 83.3 | Confident | 48 Ų | 48 | 76 Ų | 76 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 153.5 | 177.1 | 75.7 | 0 | 0 | 0 | 0 | 111.2 | N38 | S29-N38 PolarHBondContact N-O 3.42Å; S29-N38 PolarHBondContact OG-N 3.05Å |
| 30 | E | 85.6 | Confident | 83.5 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 147.9 | 167.5 | -66.9 | -164.2 | 142.7 | 0 | 0 | 110.7 | L12 K16 T32 | L12-E30 HydrophobicContact CD1-CB 4.27Å; L12-E30 HydrophobicContact CD1-CG 4.01Å; K16-E30 WeakPolarHBondContact CE-OE1 3.47Å; K16-E30 IonicContact NZ-OE1 3.71Å; K16-E30 PolarHBondContact NZ-OE1 3.03Å; E30-T32 PolarHBondContact O-N 3.46Å |
| 31 | P | 84.2 | Confident | 83.9 | Confident | 21 Ų | 21 | 71 Ų | 71 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 128.4 | 177.7 | 27 | -32.8 | 0 | 0 | 0 | 111.5 | L11 L12 I15 F37 | L11-P31 HydrophobicContact CD2-CB 4.04Å; L11-P31 HydrophobicContact CD2-CG 4.26Å; L12-P31 HydrophobicContact CD1-CG 4.24Å; I15-P31 HydrophobicContact CD1-CG 4.42Å; P31-F37 HydrophobicContact CB-CB 4.47Å; P31-F37 HydrophobicContact CB-CD1 4.32Å |
| 32 | T | 79.7 | Confident | 84.5 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -64.6 | 174.9 | 172.6 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | E30 R34 N35 E36 | E30-T32 PolarHBondContact O-N 3.46Å; T32-R34 PolarHBondContact O-N 2.85Å; T32-R34 PolarHBondContact OG1-N 3.04Å; T32-N35 WeakPolarHBondContact O-CA 3.29Å; T32-N35 PolarHBondContact O-N 3.32Å; T32-E36 WeakPolarHBondContact CB-O 3.46Å; T32-E36 WeakPolarHBondContact CG2-O 3.36Å; T32-E36 PolarHBondContact N-O 3.49Å; T32-E36 WeakPolarHBondContact OG1-CB 3.1Å; T32-E36 PolarHBondContact OG1-N 3.06Å; T32-E36 PolarHBondContact OG1-O 2.93Å | ||
| 33 | K | 71.9 | Confident | 85.1 | Confident | 213 Ų | 213 | 65.6 Ų | 65.6 | 93% | 0.926 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -10.7 | 173.5 | -64 | -175.6 | -179.8 | -179.9 | 0 | 115 | ||
| 34 | R | 69.5 | Low | 85.5 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 49% | 0.494 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.7 | 172.5 | -69.7 | -175.7 | 178.2 | 157.1 | 2.6 | 113.5 | T32 E36 C2318 | T32-R34 PolarHBondContact O-N 2.85Å; T32-R34 PolarHBondContact OG1-N 3.04Å; R34-E36 HydrophobicContact CB-CG 3.85Å; R34-E36 WeakPolarHBondContact CD-OE1 3.37Å; R34-E36 IonicContact NH1-OE1 2.85Å; R34-E36 PolarHBondContact O-N 3.44Å; R34-C2318 PolarHBondContact NE-SG 2.73Å; R34-C2318 PolarHBondContact NH2-SG 3.04Å |
| 35 | N | 77.4 | Confident | 85.9 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 56.4 | 23 | -164.2 | -60.3 | -26.8 | 0 | 0 | 0 | 113.6 | L3 Q8 L11 T32 F37 N61 | L3-N35 HydrophobicContact CD1-CB 4.44Å; L3-N35 WeakPolarHBondContact CD1-ND2 3.45Å; Q8-N35 WeakPolarHBondContact CG-OD1 3.38Å; Q8-N35 PolarHBondContact NE2-OD1 2.87Å; L11-N35 HydrophobicContact CD2-CB 4.42Å; T32-N35 WeakPolarHBondContact O-CA 3.29Å; T32-N35 PolarHBondContact O-N 3.32Å; N35-F37 WeakPolarHBondContact O-CD1 3.28Å; N35-N61 PolarHBondContact O-ND2 3.02Å |
| 36 | E | 82.2 | Confident | 85.5 | Confident | 77 Ų | 77 | 54.7 Ų | 54.7 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | trans | -76 | 128.4 | 165.4 | -61.7 | 164.4 | -167.2 | 0 | 0 | 108.2 | T32 R34 N61 | T32-E36 WeakPolarHBondContact CB-O 3.46Å; T32-E36 WeakPolarHBondContact CG2-O 3.36Å; T32-E36 PolarHBondContact N-O 3.49Å; T32-E36 WeakPolarHBondContact OG1-CB 3.1Å; T32-E36 PolarHBondContact OG1-N 3.06Å; T32-E36 PolarHBondContact OG1-O 2.93Å; R34-E36 HydrophobicContact CB-CG 3.85Å; R34-E36 WeakPolarHBondContact CD-OE1 3.37Å; R34-E36 IonicContact NH1-OE1 2.85Å; R34-E36 PolarHBondContact O-N 3.44Å; E36-N61 VanDerWaalsContact CA-OD1 3.29Å; E36-N61 WeakPolarHBondContact CA-OD1 2.55Å | ||
| 37 | F | 91.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | trans | -143.8 | 154.2 | 175.5 | 60.9 | -90.3 | 0 | 0 | 0 | 111.9 | L11 I15 I28 P31 N35 T60 N61 L109 L110 L113 | L11-F37 HydrophobicContact CD1-CE1 3.71Å; L11-F37 HydrophobicContact CD1-CZ 3.87Å; L11-F37 HydrophobicContact CD2-CD1 4.2Å; L11-F37 HydrophobicContact CD2-CE1 3.84Å; L11-F37 HydrophobicContact CG-CE1 4.24Å; I15-F37 HydrophobicContact CD1-CD1 4.18Å; I15-F37 HydrophobicContact CD1-CD2 3.98Å; I15-F37 HydrophobicContact CD1-CE1 4.32Å; I15-F37 HydrophobicContact CD1-CE2 4.1Å; I15-F37 HydrophobicContact CD1-CG 4Å; I15-F37 HydrophobicContact CD1-CZ 4.27Å; I28-F37 HydrophobicContact CG2-CD2 3.43Å; I28-F37 VanDerWaalsContact CG2-CD2 3.43Å; I28-F37 HydrophobicContact CG2-CE2 3.93Å; I28-F37 HydrophobicContact CG2-CG 4.41Å; P31-F37 HydrophobicContact CB-CB 4.47Å; P31-F37 HydrophobicContact CB-CD1 4.32Å; N35-F37 WeakPolarHBondContact O-CD1 3.28Å; F37-T60 CarbonylContact O-C 3.57Å; F37-T60 WeakPolarHBondContact O-CA 3.38Å; F37-N61 HydrophobicContact CD1-CB 3.77Å; F37-N61 VanDerWaalsContact CD1-CG 3.46Å; F37-N61 WeakPolarHBondContact CD1-ND2 3.37Å; F37-N61 HydrophobicContact CD2-CB 3.99Å; F37-N61 HydrophobicContact CE1-CB 3.49Å; F37-N61 VanDerWaalsContact CE1-CB 3.49Å; F37-N61 VanDerWaalsContact CE1-ND2 3.32Å; F37-N61 WeakPolarHBondContact CE1-ND2 3.26Å; F37-N61 HydrophobicContact CE2-CB 3.76Å; F37-N61 HydrophobicContact CG-CB 4.02Å; F37-N61 HydrophobicContact CZ-CB 3.5Å; F37-N61 PolarHBondContact N-OD1 2.91Å; F37-N61 PolarHBondContact O-N 3.12Å; F37-N61 PolarHBondContact O-OD1 3.33Å; F37-L109 HydrophobicContact CD2-CD2 3.66Å; F37-L109 HydrophobicContact CD2-CG 4.35Å; F37-L109 HydrophobicContact CE2-CD2 3.68Å; F37-L109 HydrophobicContact CE2-CG 3.89Å; F37-L110 HydrophobicContact CE1-CD2 4.16Å; F37-L110 HydrophobicContact CZ-CD2 3.74Å; F37-L110 HydrophobicContact CZ-CG 4.44Å; F37-L113 HydrophobicContact CE2-CD2 4.03Å; F37-L113 HydrophobicContact CZ-CD2 3.79Å | ||
| 38 | N | 91.5 | Very high | 83.4 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.4 | -171.1 | -60.5 | -35.8 | 0 | 0 | 0 | 111.1 | I28 S29 I59 T60 | I28-N38 CarbonylContact C-O 3.6Å; I28-N38 WeakPolarHBondContact CA-O 3.48Å; S29-N38 PolarHBondContact N-O 3.42Å; S29-N38 PolarHBondContact OG-N 3.05Å; N38-I59 WeakPolarHBondContact CA-O 3.24Å; N38-T60 WeakPolarHBondContact OD1-CB 3.49Å; N38-T60 WeakPolarHBondContact OD1-CG2 3.44Å |
| 39 | G | 91.7 | Very high | 82.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 170 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R58 I59 | G39-R58 CarbonylContact O-C 3.59Å; G39-R58 VanDerWaalsContact O-CA 3.3Å; G39-R58 WeakPolarHBondContact O-CA 3.37Å; G39-I59 PolarHBondContact N-O 2.68Å; G39-I59 PolarHBondContact O-N 3.38Å |
| 40 | V | 92.3 | Very high | 80.8 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.6 | 170.4 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | L25 F26 C56 I57 R58 | L25-V40 WeakPolarHBondContact O-CB 3.43Å; L25-V40 WeakPolarHBondContact O-CG2 3.29Å; F26-V40 HydrophobicContact CD1-CB 4.43Å; F26-V40 HydrophobicContact CD1-CG1 4.37Å; F26-V40 WeakPolarHBondContact CD1-O 3.48Å; F26-V40 HydrophobicContact CE1-CG1 4.25Å; V40-C56 HydrophobicContact CG1-CB 3.77Å; V40-I57 WeakPolarHBondContact CA-O 3.44Å; V40-R58 HydrophobicContact CG2-CB 4.34Å |
| 41 | V | 91.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.5 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | F43 C56 I57 I59 L109 F124 | V41-F43 HydrophobicContact CB-CE2 3.81Å; V41-F43 HydrophobicContact CB-CZ 4.09Å; V41-F43 HydrophobicContact CG1-CD2 4.07Å; V41-F43 HydrophobicContact CG1-CE1 4.02Å; V41-F43 HydrophobicContact CG1-CE2 3.51Å; V41-F43 HydrophobicContact CG1-CZ 3.47Å; V41-F43 VanDerWaalsContact CG1-CZ 3.47Å; V41-C56 WeakPolarHBondContact O-CA 3.23Å; V41-I57 PolarHBondContact N-O 2.92Å; V41-I57 PolarHBondContact O-N 3.17Å; V41-I59 HydrophobicContact CB-CD1 3.93Å; V41-I59 HydrophobicContact CB-CG1 4.23Å; V41-I59 HydrophobicContact CG2-CD1 3.55Å; V41-I59 HydrophobicContact CG2-CG1 3.78Å; V41-L109 HydrophobicContact CG2-CD1 3.74Å; V41-F124 HydrophobicContact CG1-CD2 3.43Å; V41-F124 VanDerWaalsContact CG1-CD2 3.43Å; V41-F124 HydrophobicContact CG1-CE2 3.62Å |
| 42 | R | 90.6 | Very high | 79.4 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.6 | 176 | -175.5 | -174.7 | -66.5 | -101.8 | 9.7 | 109.6 | F26 F44 S54 | F26-R42 HydrophobicContact CE1-CB 4.18Å; R42-F44 VanDerWaalsContact CD-CZ 3.5Å; R42-F44 HydrophobicContact CG-CD2 4.49Å; R42-F44 HydrophobicContact CG-CE2 3.92Å; R42-F44 HydrophobicContact CG-CZ 4.16Å; R42-S54 PolarHBondContact NH1-OG 3.08Å; R42-S54 VanDerWaalsContact NH1-OG 3.12Å |
| 43 | F | 92.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 145.9 | 171.3 | -60.8 | -86.8 | 0 | 0 | 0 | 109.9 | V41 S54 K55 I57 I59 L68 L72 F76 I90 P108 F124 | V41-F43 HydrophobicContact CB-CE2 3.81Å; V41-F43 HydrophobicContact CB-CZ 4.09Å; V41-F43 HydrophobicContact CG1-CD2 4.07Å; V41-F43 HydrophobicContact CG1-CE1 4.02Å; V41-F43 HydrophobicContact CG1-CE2 3.51Å; V41-F43 HydrophobicContact CG1-CZ 3.47Å; V41-F43 VanDerWaalsContact CG1-CZ 3.47Å; F43-S54 CarbonylContact O-C 3.59Å; F43-S54 VanDerWaalsContact O-CA 3.28Å; F43-S54 WeakPolarHBondContact O-CA 3.06Å; F43-K55 PolarHBondContact N-O 2.84Å; F43-K55 PolarHBondContact O-N 3.49Å; F43-I57 HydrophobicContact CD2-CD1 4.39Å; F43-I57 HydrophobicContact CD2-CG1 4.41Å; F43-I57 HydrophobicContact CE2-CB 4.4Å; F43-I59 HydrophobicContact CZ-CD1 4.34Å; F43-L68 HydrophobicContact CZ-CD1 4.11Å; F43-L72 HydrophobicContact CB-CD1 4.28Å; F43-L72 HydrophobicContact CB-CD2 3.5Å; F43-L72 VanDerWaalsContact CB-CD2 3.5Å; F43-L72 HydrophobicContact CD1-CD1 3.61Å; F43-L72 HydrophobicContact CD1-CD2 4.29Å; F43-L72 HydrophobicContact CD2-CD1 4.16Å; F43-L72 HydrophobicContact CD2-CD2 3.67Å; F43-L72 HydrophobicContact CD2-CG 4.44Å; F43-L72 HydrophobicContact CE1-CD1 3.93Å; F43-L72 HydrophobicContact CE2-CD1 4.43Å; F43-L72 HydrophobicContact CE2-CD2 4.48Å; F43-L72 HydrophobicContact CG-CD1 3.74Å; F43-L72 HydrophobicContact CG-CD2 3.55Å; F43-L72 HydrophobicContact CG-CG 4.29Å; F43-L72 HydrophobicContact CZ-CD1 4.33Å; F43-F76 HydrophobicContact CB-CE2 4.43Å; F43-I90 HydrophobicContact CD1-CD1 4.49Å; F43-I90 HydrophobicContact CD1-CG2 4.48Å; F43-I90 HydrophobicContact CE1-CD1 4.04Å; F43-I90 HydrophobicContact CE1-CG2 4.35Å; F43-P108 HydrophobicContact CE1-CB 4.15Å; F43-P108 HydrophobicContact CE1-CG 4.22Å; F43-P108 HydrophobicContact CZ-CB 4.09Å; F43-P108 HydrophobicContact CZ-CG 4.26Å; F43-F124 HydrophobicContact CD1-CB 3.58Å; F43-F124 HydrophobicContact CD1-CD2 4.48Å; F43-F124 HydrophobicContact CD1-CG 4.24Å; F43-F124 HydrophobicContact CE1-CB 3.95Å; F43-F124 HydrophobicContact CE1-CD2 4.19Å; F43-F124 HydrophobicContact CE1-CG 4.11Å; F43-F124 HydrophobicContact CG-CB 4.48Å |
| 44 | F | 89 | Confident | 80 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 150.2 | 172.9 | -63.6 | -100.5 | 0 | 0 | 0 | 109.5 | R42 Y52 Q53 R123 F124 I125 L126 | R42-F44 VanDerWaalsContact CD-CZ 3.5Å; R42-F44 HydrophobicContact CG-CD2 4.49Å; R42-F44 HydrophobicContact CG-CE2 3.92Å; R42-F44 HydrophobicContact CG-CZ 4.16Å; F44-Y52 HydrophobicContact CB-CD1 4.42Å; F44-Q53 CarbonylContact C-O 3.5Å; F44-Q53 WeakPolarHBondContact CA-O 3.34Å; F44-R123 HydrophobicContact CD2-CB 4.2Å; F44-R123 HydrophobicContact CE2-CB 4.05Å; F44-R123 HydrophobicContact CE2-CG 4.19Å; F44-F124 PolarHBondContact N-O 3.01Å; F44-I125 CarbonylContact O-C 3.6Å; F44-I125 WeakPolarHBondContact O-CA 3.3Å; F44-L126 PolarHBondContact O-N 3.04Å |
| 45 | F | 85.1 | Confident | 80.7 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.4 | 171.1 | 173.8 | -120 | 0 | 0 | 0 | 108.9 | G47 Y52 Q53 F76 H77 Y88 L126 | F45-G47 PolarHBondContact O-N 3.43Å; F45-Y52 WeakPolarHBondContact O-CA 3.47Å; F45-Q53 PolarHBondContact N-O 3.33Å; F45-Q53 PolarHBondContact O-N 2.96Å; F45-F76 HydrophobicContact CB-CB 4.42Å; F45-F76 HydrophobicContact CB-CD1 3.55Å; F45-F76 HydrophobicContact CB-CD2 3.77Å; F45-F76 HydrophobicContact CB-CE1 3.56Å; F45-F76 HydrophobicContact CB-CE2 3.78Å; F45-F76 HydrophobicContact CB-CG 3.66Å; F45-F76 HydrophobicContact CB-CZ 3.68Å; F45-F76 HydrophobicContact CD1-CB 4.24Å; F45-F76 HydrophobicContact CD1-CD1 4.25Å; F45-F76 HydrophobicContact CD1-CG 4.31Å; F45-F76 HydrophobicContact CG-CB 4.32Å; F45-F76 HydrophobicContact CG-CD1 4.21Å; F45-F76 HydrophobicContact CG-CD2 4.42Å; F45-F76 HydrophobicContact CG-CG 4.09Å; F45-H77 AromaticContact CE1-NE2 3.69Å; F45-H77 AromaticContact CZ-NE2 3.52Å; F45-Y88 HydrophobicContact CE2-CE1 4Å; F45-L126 HydrophobicContact CD2-CB 4.25Å; F45-L126 HydrophobicContact CD2-CD2 4Å; F45-L126 HydrophobicContact CD2-CG 4.41Å; F45-L126 WeakPolarHBondContact CD2-O 3.4Å |
| 46 | R | 73.6 | Confident | 81.2 | Confident | 107 Ų | 107 | 48.8 Ų | 48.8 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 106.4 | 177.1 | -170.2 | 176.3 | -178.1 | 168.4 | 1.4 | 109 | Y52 I125 | R46-Y52 HydrophobicContact CB-CD1 4.13Å; R46-Y52 HydrophobicContact CB-CE1 3.75Å; R46-Y52 HydrophobicContact CG-CD1 4.44Å; R46-Y52 HydrophobicContact CG-CE1 3.86Å; R46-I125 HydrophobicContact CB-CG2 4.38Å |
| 47 | G | 69 | Low | 81.6 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | trans | -68.7 | 161 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F45 D49 G50 K51 | F45-G47 PolarHBondContact O-N 3.43Å; G47-D49 PolarHBondContact O-N 3.49Å; G47-D49 VanDerWaalsContact O-N 3.09Å; G47-G50 PolarHBondContact O-N 2.95Å; G47-K51 PolarHBondContact N-O 2.62Å | ||
| 48 | D | 60.9 | Low | 81.6 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.4 | -179.7 | -104.6 | -27.9 | 0 | 0 | 0 | 114.4 | K131 R185 | D48-K131 IonicContact OD1-NZ 2.74Å; D48-K131 PolarHBondContact OD1-NZ 3.47Å; D48-K131 IonicContact OD2-NZ 3.79Å; D48-K131 PolarHBondContact OD2-NZ 3.32Å; D48-R185 WeakPolarHBondContact O-CD 3.3Å; D48-R185 PolarHBondContact O-NH1 3.19Å; D48-R185 IonicContact OD1-CZ 2.62Å; D48-R185 IonicContact OD1-NH1 3.4Å; D48-R185 PolarHBondContact OD1-NH1 2.95Å; D48-R185 IonicContact OD1-NH2 3.54Å; D48-R185 PolarHBondContact OD1-NH2 3.07Å; D48-R185 IonicContact OD2-CZ 2.66Å; D48-R185 IonicContact OD2-NH1 2.77Å; D48-R185 IonicContact OD2-NH2 3.69Å; D48-R185 PolarHBondContact OD2-NH2 3.11Å |
| 49 | D | 63.8 | Low | 81.6 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 4.5 | 174.5 | 68.6 | -16.8 | 0 | 0 | 0 | 113.5 | G47 K51 | G47-D49 PolarHBondContact O-N 3.49Å; G47-D49 VanDerWaalsContact O-N 3.09Å; D49-K51 VanDerWaalsContact C-N 3.35Å; D49-K51 WeakPolarHBondContact OD1-CB 3.38Å; D49-K51 PolarHBondContact OD1-N 2.78Å; D49-K51 WeakPolarHBondContact OD2-CD 3.45Å; D49-K51 WeakPolarHBondContact OD2-CE 3.41Å; D49-K51 WeakPolarHBondContact OD2-CG 3.4Å; D49-K51 IonicContact OD2-NZ 3.32Å; D49-K51 PolarHBondContact OD2-NZ 2.92Å |
| 50 | G | 63.1 | Low | 81.6 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 85.4 | -3.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G47 | G47-G50 PolarHBondContact O-N 2.95Š|
| 51 | K | 65.9 | Low | 81.5 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 144.6 | 178.2 | -61.4 | -169.2 | -169.3 | 98.2 | 0 | 111.5 | G47 D49 | G47-K51 PolarHBondContact N-O 2.62Å; D49-K51 VanDerWaalsContact C-N 3.35Å; D49-K51 WeakPolarHBondContact OD1-CB 3.38Å; D49-K51 PolarHBondContact OD1-N 2.78Å; D49-K51 WeakPolarHBondContact OD2-CD 3.45Å; D49-K51 WeakPolarHBondContact OD2-CE 3.41Å; D49-K51 WeakPolarHBondContact OD2-CG 3.4Å; D49-K51 IonicContact OD2-NZ 3.32Å; D49-K51 PolarHBondContact OD2-NZ 2.92Å |
| 52 | Y | 75.4 | Confident | 81.3 | Confident | 39 Ų | 39 | 57.6 Ų | 57.6 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.3 | 172.4 | -68.6 | -87.5 | 0 | 0 | 0 | 110.8 | F44 F45 R46 I125 I213 | F44-Y52 HydrophobicContact CB-CD1 4.42Å; F45-Y52 WeakPolarHBondContact O-CA 3.47Å; R46-Y52 HydrophobicContact CB-CD1 4.13Å; R46-Y52 HydrophobicContact CB-CE1 3.75Å; R46-Y52 HydrophobicContact CG-CD1 4.44Å; R46-Y52 HydrophobicContact CG-CE1 3.86Å; Y52-I125 HydrophobicContact CE1-CD1 4.47Å; Y52-I125 HydrophobicContact CE1-CG2 4.29Å; Y52-I213 HydrophobicContact CD1-CG2 4.29Å; Y52-I213 HydrophobicContact CD2-CG2 4.12Å; Y52-I213 HydrophobicContact CE1-CD1 4.39Å; Y52-I213 HydrophobicContact CE1-CG1 4.48Å; Y52-I213 HydrophobicContact CE1-CG2 4.3Å; Y52-I213 HydrophobicContact CE2-CB 4.47Å; Y52-I213 HydrophobicContact CE2-CG1 4.23Å; Y52-I213 HydrophobicContact CE2-CG2 4.12Å; Y52-I213 HydrophobicContact CG-CG2 4.2Å |
| 53 | Q | 78.6 | Confident | 81.4 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 150.3 | 163.7 | -60.3 | -174.7 | 16.1 | 0 | 0 | 108.9 | F44 F45 F76 | F44-Q53 CarbonylContact C-O 3.5Å; F44-Q53 WeakPolarHBondContact CA-O 3.34Å; F45-Q53 PolarHBondContact N-O 3.33Å; F45-Q53 PolarHBondContact O-N 2.96Å; Q53-F76 HydrophobicContact CB-CD1 4.15Å; Q53-F76 HydrophobicContact CB-CE1 3.79Å |
| 54 | S | 85.3 | Confident | 81.4 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.5 | 173.9 | 72 | 0 | 0 | 0 | 0 | 113.6 | R42 F43 | R42-S54 PolarHBondContact NH1-OG 3.08Å; R42-S54 VanDerWaalsContact NH1-OG 3.12Å; F43-S54 CarbonylContact O-C 3.59Å; F43-S54 VanDerWaalsContact O-CA 3.28Å; F43-S54 WeakPolarHBondContact O-CA 3.06Å |
| 55 | K | 83.6 | Confident | 81.6 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.6 | 176.9 | -67.4 | -172.3 | -174.4 | -136.4 | 0 | 110.2 | F43 K75 F76 | F43-K55 PolarHBondContact N-O 2.84Å; F43-K55 PolarHBondContact O-N 3.49Å; K55-K75 HydrophobicContact CD-CB 4.16Å; K55-K75 WeakPolarHBondContact CD-O 3.27Å; K55-K75 WeakPolarHBondContact CE-O 3.13Å; K55-K75 PolarHBondContact NZ-O 3.37Å; K55-F76 HydrophobicContact CB-CE1 4.13Å; K55-F76 HydrophobicContact CB-CE2 4.33Å; K55-F76 HydrophobicContact CB-CZ 3.82Å; K55-F76 HydrophobicContact CD-CD1 3.81Å; K55-F76 HydrophobicContact CD-CE1 3.82Å; K55-F76 HydrophobicContact CD-CG 4.21Å; K55-F76 HydrophobicContact CD-CZ 4.23Å; K55-F76 HydrophobicContact CG-CD1 4.12Å; K55-F76 HydrophobicContact CG-CE1 3.58Å; K55-F76 HydrophobicContact CG-CZ 3.82Å |
| 56 | C | 89.4 | Confident | 81.7 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.9 | 174.9 | -61 | 0 | 0 | 0 | 0 | 109.3 | V40 V41 | V40-C56 HydrophobicContact CG1-CB 3.77Å; V41-C56 WeakPolarHBondContact O-CA 3.23Å |
| 57 | I | 89 | Confident | 82.4 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.9 | 175.5 | -55.4 | -176.5 | 0 | 0 | 0 | 107.8 | V40 V41 F43 I59 I71 L72 K75 | V40-I57 WeakPolarHBondContact CA-O 3.44Å; V41-I57 PolarHBondContact N-O 2.92Å; V41-I57 PolarHBondContact O-N 3.17Å; F43-I57 HydrophobicContact CD2-CD1 4.39Å; F43-I57 HydrophobicContact CD2-CG1 4.41Å; F43-I57 HydrophobicContact CE2-CB 4.4Å; I57-I59 HydrophobicContact CB-CG2 4.08Å; I57-I59 HydrophobicContact CG2-CG2 3.65Å; I57-I71 HydrophobicContact CD1-CG2 4.02Å; I57-L72 HydrophobicContact CD1-CD2 3.47Å; I57-L72 VanDerWaalsContact CD1-CD2 3.47Å; I57-L72 HydrophobicContact CD1-CG 3.96Å; I57-L72 HydrophobicContact CG1-CD2 4.46Å; I57-K75 HydrophobicContact CD1-CD 3.77Å; I57-K75 HydrophobicContact CG1-CD 4.22Å |
| 58 | R | 91.5 | Very high | 83.5 | Confident | 198 Ų | 198 | 62.6 Ų | 62.6 | 75% | 0.747 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 120.6 | 165.5 | -177.5 | -179.9 | -71.3 | 168.1 | -3 | 108 | G39 V40 | G39-R58 CarbonylContact O-C 3.59Å; G39-R58 VanDerWaalsContact O-CA 3.3Å; G39-R58 WeakPolarHBondContact O-CA 3.37Å; V40-R58 HydrophobicContact CG2-CB 4.34Å |
| 59 | I | 92.5 | Very high | 84.8 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.7 | -178 | 67.8 | 169.3 | 0 | 0 | 0 | 110.4 | N38 G39 V41 F43 I57 D63 L68 P108 L109 | N38-I59 WeakPolarHBondContact CA-O 3.24Å; G39-I59 PolarHBondContact N-O 2.68Å; G39-I59 PolarHBondContact O-N 3.38Å; V41-I59 HydrophobicContact CB-CD1 3.93Å; V41-I59 HydrophobicContact CB-CG1 4.23Å; V41-I59 HydrophobicContact CG2-CD1 3.55Å; V41-I59 HydrophobicContact CG2-CG1 3.78Å; F43-I59 HydrophobicContact CZ-CD1 4.34Å; I57-I59 HydrophobicContact CB-CG2 4.08Å; I57-I59 HydrophobicContact CG2-CG2 3.65Å; I59-D63 WeakPolarHBondContact CA-OD2 3.35Å; I59-D63 HydrophobicContact CB-CB 4.15Å; I59-D63 VanDerWaalsContact CB-OD2 3.32Å; I59-D63 WeakPolarHBondContact CB-OD2 3.16Å; I59-L68 HydrophobicContact CB-CD1 4.42Å; I59-L68 HydrophobicContact CB-CD2 4.35Å; I59-L68 HydrophobicContact CD1-CD1 3.76Å; I59-L68 HydrophobicContact CG2-CD1 4.05Å; I59-L68 HydrophobicContact CG2-CD2 3.51Å; I59-L68 HydrophobicContact CG2-CG 4.45Å; I59-P108 HydrophobicContact CD1-CB 4.21Å; I59-L109 HydrophobicContact CD1-CB 3.9Å; I59-L109 HydrophobicContact CG1-CB 4.09Å |
| 60 | T | 91.3 | Very high | 85.6 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 163.6 | 170.7 | 85.7 | 0 | 0 | 0 | 0 | 110.7 | F37 N38 T62 D63 | F37-T60 CarbonylContact O-C 3.57Å; F37-T60 WeakPolarHBondContact O-CA 3.38Å; N38-T60 WeakPolarHBondContact OD1-CB 3.49Å; N38-T60 WeakPolarHBondContact OD1-CG2 3.44Å; T60-T62 PolarHBondContact O-N 2.98Å; T60-T62 WeakPolarHBondContact OG1-CA 3.5Å; T60-T62 PolarHBondContact OG1-N 3.5Å; T60-T62 PolarHBondContact OG1-OG1 3.45Å; T60-D63 WeakPolarHBondContact CB-OD1 3.26Å; T60-D63 WeakPolarHBondContact CG2-OD1 3.5Å; T60-D63 VanDerWaalsContact N-CG 3.31Å; T60-D63 PolarHBondContact N-OD2 1.88Å; T60-D63 PolarHBondContact O-N 2.83Å; T60-D63 VanDerWaalsContact OG1-CG 3.23Å; T60-D63 PolarHBondContact OG1-N 3.48Å; T60-D63 VanDerWaalsContact OG1-N 3.1Å; T60-D63 PolarHBondContact OG1-OD1 3.09Å |
| 61 | N | 89.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -5.7 | 168.3 | 71.2 | -49.7 | 0 | 0 | 0 | 114 | N35 E36 F37 A107 L109 L110 | N35-N61 PolarHBondContact O-ND2 3.02Å; E36-N61 VanDerWaalsContact CA-OD1 3.29Å; E36-N61 WeakPolarHBondContact CA-OD1 2.55Å; F37-N61 HydrophobicContact CD1-CB 3.77Å; F37-N61 VanDerWaalsContact CD1-CG 3.46Å; F37-N61 WeakPolarHBondContact CD1-ND2 3.37Å; F37-N61 HydrophobicContact CD2-CB 3.99Å; F37-N61 HydrophobicContact CE1-CB 3.49Å; F37-N61 VanDerWaalsContact CE1-CB 3.49Å; F37-N61 VanDerWaalsContact CE1-ND2 3.32Å; F37-N61 WeakPolarHBondContact CE1-ND2 3.26Å; F37-N61 HydrophobicContact CE2-CB 3.76Å; F37-N61 HydrophobicContact CG-CB 4.02Å; F37-N61 HydrophobicContact CZ-CB 3.5Å; F37-N61 PolarHBondContact N-OD1 2.91Å; F37-N61 PolarHBondContact O-N 3.12Å; F37-N61 PolarHBondContact O-OD1 3.33Å; N61-A107 VanDerWaalsContact O-CB 3.24Å; N61-A107 WeakPolarHBondContact O-CB 3.31Å; N61-L109 HydrophobicContact CB-CD2 4.2Å; N61-L110 HydrophobicContact CB-CG 4.21Å |
| 62 | T | 87.7 | Confident | 87.7 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 56% | 0.564 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -6.4 | 172.2 | 65 | 0 | 0 | 0 | 0 | 113.3 | T60 T64 | T60-T62 PolarHBondContact O-N 2.98Å; T60-T62 WeakPolarHBondContact OG1-CA 3.5Å; T60-T62 PolarHBondContact OG1-N 3.5Å; T60-T62 PolarHBondContact OG1-OG1 3.45Å; T62-T64 PolarHBondContact O-N 2.87Å; T62-T64 VanDerWaalsContact O-N 3.15Å |
| 63 | D | 92.3 | Very high | 87.9 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | trans | -78 | 101.1 | -179.1 | -65.3 | -0.7 | 0 | 0 | 0 | 110 | I59 T60 Y67 L68 A107 P108 | I59-D63 WeakPolarHBondContact CA-OD2 3.35Å; I59-D63 HydrophobicContact CB-CB 4.15Å; I59-D63 VanDerWaalsContact CB-OD2 3.32Å; I59-D63 WeakPolarHBondContact CB-OD2 3.16Å; T60-D63 WeakPolarHBondContact CB-OD1 3.26Å; T60-D63 WeakPolarHBondContact CG2-OD1 3.5Å; T60-D63 VanDerWaalsContact N-CG 3.31Å; T60-D63 PolarHBondContact N-OD2 1.88Å; T60-D63 PolarHBondContact O-N 2.83Å; T60-D63 VanDerWaalsContact OG1-CG 3.23Å; T60-D63 PolarHBondContact OG1-N 3.48Å; T60-D63 VanDerWaalsContact OG1-N 3.1Å; T60-D63 PolarHBondContact OG1-OD1 3.09Å; D63-Y67 HydrophobicContact CB-CD1 4.21Å; D63-L68 HydrophobicContact CB-CD1 3.93Å; D63-L68 HydrophobicContact CB-CD2 4.05Å; D63-L68 HydrophobicContact CB-CG 4.03Å; D63-L68 WeakPolarHBondContact O-CD1 3.45Å; D63-A107 WeakPolarHBondContact O-CA 3.35Å; D63-P108 VanDerWaalsContact O-CD 3.27Å; D63-P108 WeakPolarHBondContact O-CD 3.47Å | ||
| 64 | T | 93.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | trans | -74.4 | 157.9 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | T62 R66 Y67 L68 D105 E106 | T62-T64 PolarHBondContact O-N 2.87Å; T62-T64 VanDerWaalsContact O-N 3.15Å; T64-R66 PolarHBondContact O-N 2.9Å; T64-Y67 WeakPolarHBondContact O-CB 3.2Å; T64-Y67 PolarHBondContact O-N 2.63Å; T64-L68 WeakPolarHBondContact O-CG 3.17Å; T64-L68 PolarHBondContact O-N 3Å; T64-D105 WeakPolarHBondContact CG2-O 3.3Å; T64-E106 CarbonylContact C-O 3.58Å; T64-E106 WeakPolarHBondContact CA-O 3.45Å | ||
| 65 | A | 92.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.4 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y67 L68 V69 I90 L102 E106 | A65-Y67 PolarHBondContact O-N 3.44Å; A65-L68 PolarHBondContact O-N 3.13Å; A65-V69 WeakPolarHBondContact O-CB 3.47Å; A65-V69 VanDerWaalsContact O-CG2 3.27Å; A65-V69 WeakPolarHBondContact O-CG2 3.34Å; A65-V69 PolarHBondContact O-N 2.76Å; A65-I90 HydrophobicContact CB-CD1 4.1Å; A65-L102 HydrophobicContact CB-CB 4.3Å; A65-E106 PolarHBondContact N-O 3.04Å |
| 66 | R | 87.7 | Confident | 86.9 | Confident | 138 Ų | 138 | 56.2 Ų | 56.2 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 174.2 | 172.4 | 179.5 | -81.5 | 130.1 | -4.6 | 112.9 | T64 A104 D105 | T64-R66 PolarHBondContact O-N 2.9Å; R66-A104 HydrophobicContact CB-CB 4.3Å; R66-A104 WeakPolarHBondContact CB-O 3.35Å; R66-A104 PolarHBondContact N-O 3.42Å; R66-D105 IonicContact CZ-OD1 2.77Å; R66-D105 IonicContact CZ-OD2 3.92Å; R66-D105 IonicContact NH1-OD1 3.68Å; R66-D105 PolarHBondContact NH1-OD1 3.34Å; R66-D105 IonicContact NH1-OD2 3.97Å; R66-D105 PolarHBondContact NH1-OD2 3.47Å |
| 67 | Y | 88.8 | Confident | 85.7 | Confident | 130 Ų | 130 | 58.1 Ų | 58.1 | 51% | 0.51 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.2 | -45.7 | 176.7 | 177.4 | -116.7 | 0 | 0 | 0 | 111 | D63 T64 A65 V69 N70 I71 | D63-Y67 HydrophobicContact CB-CD1 4.21Å; T64-Y67 WeakPolarHBondContact O-CB 3.2Å; T64-Y67 PolarHBondContact O-N 2.63Å; A65-Y67 PolarHBondContact O-N 3.44Å; Y67-V69 PolarHBondContact O-N 3.33Å; Y67-N70 PolarHBondContact O-N 2.84Å; Y67-I71 HydrophobicContact CD1-CD1 4.04Å; Y67-I71 HydrophobicContact CE1-CD1 3.51Å; Y67-I71 HydrophobicContact CE2-CD1 4.06Å |
| 68 | L | 91.7 | Very high | 84 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.4 | -30.5 | -174.6 | -65.7 | 173.1 | 0 | 0 | 0 | 113.6 | F43 I59 D63 T64 A65 N70 I71 L72 I90 P108 | F43-L68 HydrophobicContact CZ-CD1 4.11Å; I59-L68 HydrophobicContact CB-CD1 4.42Å; I59-L68 HydrophobicContact CB-CD2 4.35Å; I59-L68 HydrophobicContact CD1-CD1 3.76Å; I59-L68 HydrophobicContact CG2-CD1 4.05Å; I59-L68 HydrophobicContact CG2-CD2 3.51Å; I59-L68 HydrophobicContact CG2-CG 4.45Å; D63-L68 HydrophobicContact CB-CD1 3.93Å; D63-L68 HydrophobicContact CB-CD2 4.05Å; D63-L68 HydrophobicContact CB-CG 4.03Å; D63-L68 WeakPolarHBondContact O-CD1 3.45Å; T64-L68 WeakPolarHBondContact O-CG 3.17Å; T64-L68 PolarHBondContact O-N 3Å; A65-L68 PolarHBondContact O-N 3.13Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-N70 PolarHBondContact O-N 3.29Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-L72 HydrophobicContact CB-CD1 4.29Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 WeakPolarHBondContact O-CD1 3.21Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.17Å; L68-I90 HydrophobicContact CB-CD1 4.15Å; L68-P108 HydrophobicContact CD1-CG 3.78Å |
| 69 | V | 88.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.5 | -49.1 | 173.1 | 158.8 | 0 | 0 | 0 | 0 | 111.2 | A65 Y67 I71 L72 V73 Y88 I90 L126 | A65-V69 WeakPolarHBondContact O-CB 3.47Å; A65-V69 VanDerWaalsContact O-CG2 3.27Å; A65-V69 WeakPolarHBondContact O-CG2 3.34Å; A65-V69 PolarHBondContact O-N 2.76Å; Y67-V69 PolarHBondContact O-N 3.33Å; V69-I71 PolarHBondContact O-N 2.81Å; V69-L72 PolarHBondContact O-N 3.19Å; V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.35Å; V69-V73 PolarHBondContact O-N 3.06Å; V69-Y88 WeakPolarHBondContact CG1-O 3.3Å; V69-I90 HydrophobicContact CG2-CD1 4.06Å; V69-I90 HydrophobicContact CG2-CG1 3.82Å; V69-L126 HydrophobicContact CG2-CD1 4.15Å |
| 70 | N | 81 | Confident | 78.9 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.6 | -45.2 | -177.9 | -66.6 | -26 | 0 | 0 | 0 | 111.5 | Y67 L68 L72 V73 E74 | Y67-N70 PolarHBondContact O-N 2.84Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-N70 PolarHBondContact O-N 3.29Å; N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 3.18Å; N70-V73 PolarHBondContact O-N 3.28Å; N70-E74 PolarHBondContact O-N 3.36Å; N70-E74 VanDerWaalsContact O-N 3.12Å |
| 71 | I | 85.2 | Confident | 76.3 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 178 | -63.7 | 175.2 | 0 | 0 | 0 | 111.4 | I57 Y67 L68 V69 K75 | I57-I71 HydrophobicContact CD1-CG2 4.02Å; Y67-I71 HydrophobicContact CD1-CD1 4.04Å; Y67-I71 HydrophobicContact CE1-CD1 3.51Å; Y67-I71 HydrophobicContact CE2-CD1 4.06Å; L68-I71 PolarHBondContact O-N 3.41Å; V69-I71 PolarHBondContact O-N 2.81Å; I71-K75 HydrophobicContact CG2-CD 3.8Å; I71-K75 VanDerWaalsContact CG2-NZ 3.33Å; I71-K75 VanDerWaalsContact O-CB 3.27Å; I71-K75 WeakPolarHBondContact O-CB 3.45Å; I71-K75 VanDerWaalsContact O-CG 3.23Å; I71-K75 WeakPolarHBondContact O-CG 3.46Å; I71-K75 PolarHBondContact O-N 2.93Å |
| 72 | L | 87.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 179.1 | -75.7 | 163.5 | 0 | 0 | 0 | 111.8 | F43 I57 L68 V69 N70 K75 F76 I90 L126 | F43-L72 HydrophobicContact CB-CD1 4.28Å; F43-L72 HydrophobicContact CB-CD2 3.5Å; F43-L72 VanDerWaalsContact CB-CD2 3.5Å; F43-L72 HydrophobicContact CD1-CD1 3.61Å; F43-L72 HydrophobicContact CD1-CD2 4.29Å; F43-L72 HydrophobicContact CD2-CD1 4.16Å; F43-L72 HydrophobicContact CD2-CD2 3.67Å; F43-L72 HydrophobicContact CD2-CG 4.44Å; F43-L72 HydrophobicContact CE1-CD1 3.93Å; F43-L72 HydrophobicContact CE2-CD1 4.43Å; F43-L72 HydrophobicContact CE2-CD2 4.48Å; F43-L72 HydrophobicContact CG-CD1 3.74Å; F43-L72 HydrophobicContact CG-CD2 3.55Å; F43-L72 HydrophobicContact CG-CG 4.29Å; F43-L72 HydrophobicContact CZ-CD1 4.33Å; I57-L72 HydrophobicContact CD1-CD2 3.47Å; I57-L72 VanDerWaalsContact CD1-CD2 3.47Å; I57-L72 HydrophobicContact CD1-CG 3.96Å; I57-L72 HydrophobicContact CG1-CD2 4.46Å; L68-L72 HydrophobicContact CB-CD1 4.29Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 WeakPolarHBondContact O-CD1 3.21Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.17Å; V69-L72 PolarHBondContact O-N 3.19Å; N70-L72 VanDerWaalsContact C-N 3.33Å; N70-L72 PolarHBondContact O-N 3.18Å; L72-K75 PolarHBondContact O-N 3.46Å; L72-F76 HydrophobicContact CB-CD2 4.43Å; L72-F76 HydrophobicContact CD2-CD2 4.29Å; L72-F76 HydrophobicContact CD2-CE2 3.86Å; L72-F76 WeakPolarHBondContact O-CB 3.12Å; L72-F76 VanDerWaalsContact O-CD2 3.28Å; L72-F76 WeakPolarHBondContact O-CD2 3.39Å; L72-F76 PolarHBondContact O-N 3.48Å; L72-I90 HydrophobicContact CD1-CD1 3.69Å; L72-I90 HydrophobicContact CD1-CG1 4.13Å; L72-L126 HydrophobicContact CB-CD1 4.06Å; L72-L126 HydrophobicContact CB-CD2 4.02Å; L72-L126 HydrophobicContact CD1-CD1 4.28Å |
| 73 | V | 79.9 | Confident | 71.2 | Confident | 38 Ų | 38 | 84 Ų | 84 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | V69 N70 K75 F76 H77 Y88 L126 | V69-V73 HydrophobicContact CG1-CG2 4.41Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.35Å; V69-V73 PolarHBondContact O-N 3.06Å; N70-V73 PolarHBondContact O-N 3.28Å; V73-K75 VanDerWaalsContact C-N 3.31Å; V73-K75 PolarHBondContact O-N 3.45Å; V73-F76 PolarHBondContact O-N 3.16Å; V73-H77 PolarHBondContact O-N 3.32Å; V73-Y88 HydrophobicContact CB-CD2 4.5Å; V73-Y88 HydrophobicContact CG1-CD2 4.27Å; V73-Y88 HydrophobicContact CG1-CE2 4.1Å; V73-Y88 HydrophobicContact CG2-CD1 3.88Å; V73-Y88 HydrophobicContact CG2-CD2 3.37Å; V73-Y88 HydrophobicContact CG2-CE1 4.36Å; V73-Y88 HydrophobicContact CG2-CE2 3.94Å; V73-Y88 HydrophobicContact CG2-CG 3.34Å; V73-L126 HydrophobicContact CG2-CD2 4.16Å |
| 74 | E | 70.7 | Confident | 69.1 | Low | 146 Ų | 146 | 87.1 Ų | 87.1 | 68% | 0.682 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.4 | -43.5 | 174.8 | -174.2 | -174.3 | -165.6 | 0 | 0 | 111.6 | N70 | N70-E74 PolarHBondContact O-N 3.36Å; N70-E74 VanDerWaalsContact O-N 3.12Å |
| 75 | K | 76.4 | Confident | 67 | Low | 92 Ų | 92 | 89.9 Ų | 89.9 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.7 | -29.9 | -178.5 | -75.3 | 174.4 | -175.3 | 170.5 | 0 | 113.7 | K55 I57 I71 L72 V73 | K55-K75 HydrophobicContact CD-CB 4.16Å; K55-K75 WeakPolarHBondContact CD-O 3.27Å; K55-K75 WeakPolarHBondContact CE-O 3.13Å; K55-K75 PolarHBondContact NZ-O 3.37Å; I57-K75 HydrophobicContact CD1-CD 3.77Å; I57-K75 HydrophobicContact CG1-CD 4.22Å; I71-K75 HydrophobicContact CG2-CD 3.8Å; I71-K75 VanDerWaalsContact CG2-NZ 3.33Å; I71-K75 VanDerWaalsContact O-CB 3.27Å; I71-K75 WeakPolarHBondContact O-CB 3.45Å; I71-K75 VanDerWaalsContact O-CG 3.23Å; I71-K75 WeakPolarHBondContact O-CG 3.46Å; I71-K75 PolarHBondContact O-N 2.93Å; L72-K75 PolarHBondContact O-N 3.46Å; V73-K75 VanDerWaalsContact C-N 3.31Å; V73-K75 PolarHBondContact O-N 3.45Å |
| 76 | F | 78.9 | Confident | 65.4 | Low | 6 Ų | 6 | 90.4 Ų | 90.4 | 3% | 0.026 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -86.2 | -24.7 | 179.7 | -83 | -68.1 | 0 | 0 | 0 | 113.9 | F43 F45 Q53 K55 L72 V73 P78 L126 | F43-F76 HydrophobicContact CB-CE2 4.43Å; F45-F76 HydrophobicContact CB-CB 4.42Å; F45-F76 HydrophobicContact CB-CD1 3.55Å; F45-F76 HydrophobicContact CB-CD2 3.77Å; F45-F76 HydrophobicContact CB-CE1 3.56Å; F45-F76 HydrophobicContact CB-CE2 3.78Å; F45-F76 HydrophobicContact CB-CG 3.66Å; F45-F76 HydrophobicContact CB-CZ 3.68Å; F45-F76 HydrophobicContact CD1-CB 4.24Å; F45-F76 HydrophobicContact CD1-CD1 4.25Å; F45-F76 HydrophobicContact CD1-CG 4.31Å; F45-F76 HydrophobicContact CG-CB 4.32Å; F45-F76 HydrophobicContact CG-CD1 4.21Å; F45-F76 HydrophobicContact CG-CD2 4.42Å; F45-F76 HydrophobicContact CG-CG 4.09Å; Q53-F76 HydrophobicContact CB-CD1 4.15Å; Q53-F76 HydrophobicContact CB-CE1 3.79Å; K55-F76 HydrophobicContact CB-CE1 4.13Å; K55-F76 HydrophobicContact CB-CE2 4.33Å; K55-F76 HydrophobicContact CB-CZ 3.82Å; K55-F76 HydrophobicContact CD-CD1 3.81Å; K55-F76 HydrophobicContact CD-CE1 3.82Å; K55-F76 HydrophobicContact CD-CG 4.21Å; K55-F76 HydrophobicContact CD-CZ 4.23Å; K55-F76 HydrophobicContact CG-CD1 4.12Å; K55-F76 HydrophobicContact CG-CE1 3.58Å; K55-F76 HydrophobicContact CG-CZ 3.82Å; L72-F76 HydrophobicContact CB-CD2 4.43Å; L72-F76 HydrophobicContact CD2-CD2 4.29Å; L72-F76 HydrophobicContact CD2-CE2 3.86Å; L72-F76 WeakPolarHBondContact O-CB 3.12Å; L72-F76 VanDerWaalsContact O-CD2 3.28Å; L72-F76 WeakPolarHBondContact O-CD2 3.39Å; L72-F76 PolarHBondContact O-N 3.48Å; V73-F76 PolarHBondContact O-N 3.16Å; F76-P78 VanDerWaalsContact O-CD 3.22Å; F76-P78 WeakPolarHBondContact O-CD 3.19Å; F76-L126 HydrophobicContact CD2-CD2 4.1Å |
| 77 | H | 64.5 | Low | 64.7 | Low | 83 Ų | 83 | 92.9 Ų | 92.9 | 38% | 0.384 | 47% | 0.468 | S | S | . | . | trans | -109.1 | 92.5 | 178.1 | -79.4 | -97.6 | 0 | 0 | 0 | 112.6 | F45 V73 | F45-H77 AromaticContact CE1-NE2 3.69Å; F45-H77 AromaticContact CZ-NE2 3.52Å; V73-H77 PolarHBondContact O-N 3.32Å | ||
| 78 | P | 52.4 | Low | 64.6 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | trans | -77.7 | -15.1 | -179.1 | 31.6 | -36.7 | 0 | 0 | 0 | 114.8 | F76 | F76-P78 VanDerWaalsContact O-CD 3.22Å; F76-P78 WeakPolarHBondContact O-CD 3.19Å | ||
| 79 | D | 38.3 | Very low | 64.4 | Low | 116 Ų | 116 | 88.4 Ų | 88.4 | 62% | 0.62 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -91.5 | 127.7 | 179.1 | -93.6 | -12.9 | 0 | 0 | 0 | 111.3 | R81 | D79-R81 HydrophobicContact CB-CB 4.4Å; D79-R81 PolarHBondContact O-N 3.45Å |
| 80 | L | 38.7 | Very low | 64.6 | Low | 161 Ų | 161 | 87.7 Ų | 87.7 | 84% | 0.843 | 45% | 0.447 | S | S | * | . | trans | -67.9 | 16.5 | 172.8 | -91.9 | 158.6 | 0 | 0 | 0 | 114.4 | M82 | L80-M82 PolarHBondContact O-N 3.44Š| ||
| 81 | R | 36.5 | Very low | 65 | Low | 199 Ų | 199 | 83.9 Ų | 83.9 | 75% | 0.751 | 43% | 0.425 | S | S | * | . | trans | -76.6 | 91.8 | 178.3 | -82 | -179.7 | 160.6 | 173.8 | -5.3 | 111 | D79 | D79-R81 HydrophobicContact CB-CB 4.4Å; D79-R81 PolarHBondContact O-N 3.45Å | ||
| 82 | M | 36.5 | Very low | 65.3 | Low | 162 Ų | 162 | 83 Ų | 83 | 80% | 0.798 | 42% | 0.42 | S | S | * | . | trans | 57 | 129 | 167.2 | -74.1 | 173.5 | 61.3 | 0 | 0 | 116.7 | L80 T84 | L80-M82 PolarHBondContact O-N 3.44Å; M82-T84 PolarHBondContact O-N 3.03Å | ||
| 83 | L | 35.3 | Very low | 65.2 | Low | 171 Ų | 171 | 83.8 Ų | 83.8 | 90% | 0.895 | 42% | 0.423 | S | S | * | . | trans | -48.5 | 71.7 | 150.8 | -62.1 | 158.3 | 0 | 0 | 0 | 112.5 | A85 | L83-A85 PolarHBondContact O-N 3.42Š| ||
| 84 | T | 47.8 | Very low | 65.3 | Low | 91 Ų | 91 | 82.6 Ų | 82.6 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | trans | -61.6 | 98.4 | 147.1 | 41.5 | 0 | 0 | 0 | 0 | 105.5 | M82 G86 | M82-T84 PolarHBondContact O-N 3.03Å; T84-G86 PolarHBondContact O-N 2.87Å | ||
| 85 | A | 48.6 | Very low | 65.3 | Low | 94 Ų | 94 | 80.8 Ų | 80.8 | 78% | 0.777 | 41% | 0.414 | S | S | * | . | trans | -72.1 | 53.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L83 | L83-A85 PolarHBondContact O-N 3.42Š| ||
| 86 | G | 59 | Low | 64.9 | Low | 15 Ų | 15 | 82.7 Ų | 82.7 | 16% | 0.155 | 43% | 0.428 | C | S | . | . | trans | -63.5 | 137.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T84 Y88 D128 S130 | T84-G86 PolarHBondContact O-N 2.87Å; G86-Y88 WeakPolarHBondContact O-CD2 3.17Å; G86-Y88 PolarHBondContact O-N 3.23Å; G86-Y88 VanDerWaalsContact O-N 3.16Å; G86-D128 WeakPolarHBondContact CA-OD1 3.31Å; G86-S130 WeakPolarHBondContact CA-OG 3.48Å | ||
| 87 | R | 73.1 | Confident | 64.6 | Low | 189 Ų | 189 | 87.6 Ų | 87.6 | 71% | 0.713 | 46% | 0.455 | S | S | * | . | trans | -84.6 | 88.9 | 172.3 | -81.4 | -175.6 | 171.4 | -163.7 | -3.5 | 107.3 | D128 E129 | R87-D128 PolarHBondContact N-OD1 3.26Å; R87-E129 HydrophobicContact CB-CB 3.96Å; R87-E129 VanDerWaalsContact O-CB 3.3Å; R87-E129 WeakPolarHBondContact O-CB 3.38Å; R87-E129 WeakPolarHBondContact O-CG 3.22Å; R87-E129 PolarHBondContact O-N 3.17Å | ||
| 88 | Y | 85.3 | Confident | 65.1 | Low | 32 Ų | 32 | 85.1 Ų | 85.1 | 13% | 0.125 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 139 | -179 | -67.8 | -89.3 | 0 | 0 | 0 | 111.4 | F45 V69 V73 G86 L126 R127 D128 | F45-Y88 HydrophobicContact CE2-CE1 4Å; V69-Y88 WeakPolarHBondContact CG1-O 3.3Å; V73-Y88 HydrophobicContact CB-CD2 4.5Å; V73-Y88 HydrophobicContact CG1-CD2 4.27Å; V73-Y88 HydrophobicContact CG1-CE2 4.1Å; V73-Y88 HydrophobicContact CG2-CD1 3.88Å; V73-Y88 HydrophobicContact CG2-CD2 3.37Å; V73-Y88 HydrophobicContact CG2-CE1 4.36Å; V73-Y88 HydrophobicContact CG2-CE2 3.94Å; V73-Y88 HydrophobicContact CG2-CG 3.34Å; G86-Y88 WeakPolarHBondContact O-CD2 3.17Å; G86-Y88 PolarHBondContact O-N 3.23Å; G86-Y88 VanDerWaalsContact O-N 3.16Å; Y88-L126 HydrophobicContact CD1-CD2 4.01Å; Y88-L126 HydrophobicContact CD1-CG 4.15Å; Y88-R127 CarbonylContact C-O 3.57Å; Y88-R127 WeakPolarHBondContact CA-O 3.43Å; Y88-D128 HydrophobicContact CD1-CB 4.03Å; Y88-D128 HydrophobicContact CE1-CB 3.75Å |
| 89 | A | 87.6 | Confident | 66.5 | Low | 6 Ų | 6 | 84.5 Ų | 84.5 | 5% | 0.05 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y91 L126 R127 E129 | A89-Y91 HydrophobicContact CB-CE2 3.96Å; A89-L126 WeakPolarHBondContact O-CA 3.43Å; A89-R127 PolarHBondContact N-O 3.28Å; A89-R127 PolarHBondContact O-N 3.46Å; A89-E129 HydrophobicContact CB-CG 4.25Å |
| 90 | I | 92.8 | Very high | 68.6 | Low | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.015 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.4 | 174.1 | -59.6 | 167.8 | 0 | 0 | 0 | 108.2 | F43 A65 L68 V69 L72 L102 F124 L126 | F43-I90 HydrophobicContact CD1-CD1 4.49Å; F43-I90 HydrophobicContact CD1-CG2 4.48Å; F43-I90 HydrophobicContact CE1-CD1 4.04Å; F43-I90 HydrophobicContact CE1-CG2 4.35Å; A65-I90 HydrophobicContact CB-CD1 4.1Å; L68-I90 HydrophobicContact CB-CD1 4.15Å; V69-I90 HydrophobicContact CG2-CD1 4.06Å; V69-I90 HydrophobicContact CG2-CG1 3.82Å; L72-I90 HydrophobicContact CD1-CD1 3.69Å; L72-I90 HydrophobicContact CD1-CG1 4.13Å; I90-L102 HydrophobicContact CG2-CD1 4.47Å; I90-L102 HydrophobicContact CG2-CD2 4.22Å; I90-L102 PolarHBondContact O-N 3.12Å; I90-F124 HydrophobicContact CG2-CB 4.12Å; I90-F124 HydrophobicContact CG2-CD1 4.05Å; I90-F124 HydrophobicContact CG2-CG 4.4Å; I90-L126 HydrophobicContact CG1-CD1 4.05Å |
| 91 | Y | 90.6 | Very high | 70.9 | Confident | 31 Ų | 31 | 82.7 Ų | 82.7 | 12% | 0.122 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.4 | 172.2 | -67.2 | -111.3 | 0 | 0 | 0 | 108.3 | A89 R100 R101 F124 I125 R127 | A89-Y91 HydrophobicContact CB-CE2 3.96Å; Y91-R100 CarbonylContact C-O 3.55Å; Y91-R100 WeakPolarHBondContact CA-O 3.46Å; Y91-R100 WeakPolarHBondContact CB-O 3.16Å; Y91-R101 HydrophobicContact CD1-CB 3.98Å; Y91-R101 HydrophobicContact CE1-CB 3.8Å; Y91-R101 HydrophobicContact CE1-CG 4.26Å; Y91-R101 HydrophobicContact CE2-CG 4.47Å; Y91-F124 CarbonylContact O-C 3.46Å; Y91-F124 VanDerWaalsContact O-CA 3.26Å; Y91-F124 WeakPolarHBondContact O-CA 3.48Å; Y91-I125 PolarHBondContact N-O 3.34Å; Y91-I125 PolarHBondContact O-N 3.26Å; Y91-R127 HydrophobicContact CD2-CB 4.05Å; Y91-R127 HydrophobicContact CD2-CG 3.93Å; Y91-R127 HydrophobicContact CE2-CB 3.86Å; Y91-R127 HydrophobicContact CE2-CG 4.17Å |
| 92 | E | 90.6 | Very high | 73.6 | Confident | 15 Ų | 15 | 73.5 Ų | 73.5 | 7% | 0.07 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 147.8 | 156.4 | 63.2 | -154.3 | 130.9 | 0 | 0 | 109.2 | H94 E99 R100 L102 V111 W115 F124 | E92-H94 IonicContact OE2-NE2 2.76Å; E92-E99 WeakPolarHBondContact O-CA 3.47Å; E92-R100 HydrophobicContact CG-CB 3.78Å; E92-R100 HydrophobicContact CG-CG 4.34Å; E92-R100 PolarHBondContact N-O 3.31Å; E92-R100 PolarHBondContact O-N 3.06Å; E92-R100 WeakPolarHBondContact OE1-CD 3.39Å; E92-R100 WeakPolarHBondContact OE1-CG 3.26Å; E92-R100 IonicContact OE1-CZ 3.91Å; E92-R100 IonicContact OE1-NE 3.12Å; E92-R100 IonicContact OE1-NH1 2.76Å; E92-R100 PolarHBondContact OE1-NH1 3.47Å; E92-L102 HydrophobicContact CB-CD1 3.77Å; E92-L102 HydrophobicContact CG-CD1 3.89Å; E92-L102 VanDerWaalsContact N-CD1 3.31Å; E92-V111 WeakPolarHBondContact OE2-CG1 3.46Å; E92-W115 HydrophobicContact CB-CZ2 4.27Å; E92-W115 PolarHBondContact OE2-NE1 3.01Å; E92-F124 HydrophobicContact CB-CD1 4.19Å; E92-F124 HydrophobicContact CB-CE1 4.15Å |
| 93 | Y | 85 | Confident | 75.9 | Confident | 17 Ų | 17 | 67 Ų | 67 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.6 | 179.2 | -178.6 | -85.7 | 0 | 0 | 0 | 109.2 | T95 E99 G122 R123 I125 E211 I213 | Y93-T95 HydrophobicContact CE1-CG2 4.4Å; Y93-E99 HydrophobicContact CD2-CB 4.14Å; Y93-G122 CarbonylContact O-C 3.56Å; Y93-G122 VanDerWaalsContact O-CA 3.3Å; Y93-G122 WeakPolarHBondContact O-CA 3.42Å; Y93-R123 PolarHBondContact N-O 3.46Å; Y93-R123 PolarHBondContact O-N 3.24Å; Y93-I125 HydrophobicContact CD2-CD1 4.27Å; Y93-I125 HydrophobicContact CG-CD1 4.12Å; Y93-E211 WeakPolarHBondContact CE2-OE2 3.17Å; Y93-E211 VanDerWaalsContact CZ-OE2 3.31Å; Y93-E211 PolarHBondContact OH-O 3.24Å; Y93-E211 PolarHBondContact OH-OE2 2.82Å; Y93-I213 HydrophobicContact CD1-CD1 3.58Å; Y93-I213 HydrophobicContact CD1-CG1 4.46Å; Y93-I213 HydrophobicContact CD2-CD1 4.07Å; Y93-I213 HydrophobicContact CE1-CD1 3.87Å; Y93-I213 HydrophobicContact CE1-CG1 4.3Å; Y93-I213 HydrophobicContact CE2-CD1 4.33Å; Y93-I213 HydrophobicContact CG-CD1 3.69Å |
| 94 | H | 82.7 | Confident | 78.3 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 6% | 0.06 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.1 | 173.7 | -67.2 | -74.9 | 0 | 0 | 0 | 109.1 | E92 N96 N97 G98 W115 E121 G122 | E92-H94 IonicContact OE2-NE2 2.76Å; H94-N96 PolarHBondContact O-N 3Å; H94-N96 VanDerWaalsContact O-N 3.12Å; H94-N97 HydrophobicContact CB-CB 4.09Å; H94-G98 PolarHBondContact N-O 3.46Å; H94-G98 WeakPolarHBondContact O-CA 3.22Å; H94-G98 PolarHBondContact O-N 3.2Å; H94-W115 AromaticContact CE1-CD1 3.48Å; H94-W115 VanDerWaalsContact CE1-CD1 3.48Å; H94-W115 AromaticContact CE1-CD2 3.95Å; H94-W115 AromaticContact CE1-CE2 3.67Å; H94-W115 AromaticContact CE1-CG 3.86Å; H94-W115 AromaticContact CE1-NE1 3.34Å; H94-W115 PolarHBondContact CE1-NE1 3.07Å; H94-W115 VanDerWaalsContact CE1-NE1 3.34Å; H94-W115 AromaticContact NE2-CD1 3.69Å; H94-W115 AromaticContact NE2-CE2 3.83Å; H94-W115 AromaticContact NE2-NE1 3.24Å; H94-W115 PolarHBondContact NE2-NE1 3.43Å; H94-E121 VanDerWaalsContact ND1-C 3.35Å; H94-E121 PolarHBondContact ND1-O 3.4Å; H94-G122 WeakPolarHBondContact CE1-CA 3.36Å; H94-G122 WeakPolarHBondContact ND1-CA 3.35Å |
| 95 | T | 70.7 | Confident | 80.1 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 66% | 0.663 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.2 | 177.5 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | Y93 | Y93-T95 HydrophobicContact CE1-CG2 4.4Š|
| 96 | N | 68.6 | Low | 82.2 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -32.2 | -172.4 | -55.6 | 12.7 | 0 | 0 | 0 | 112.3 | H94 | H94-N96 PolarHBondContact O-N 3Å; H94-N96 VanDerWaalsContact O-N 3.12Å |
| 97 | N | 71.5 | Confident | 83.7 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 1.7 | -174.9 | -70.2 | -6.6 | 0 | 0 | 0 | 113.3 | H94 Q120 | H94-N97 HydrophobicContact CB-CB 4.09Å; N97-Q120 PolarHBondContact ND2-NE2 2.69Å; N97-Q120 VanDerWaalsContact ND2-NE2 3.17Å; N97-Q120 PolarHBondContact ND2-OE1 2.95Å |
| 98 | G | 76.4 | Confident | 84.6 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 32% | 0.32 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.3 | -152.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H94 | H94-G98 PolarHBondContact N-O 3.46Å; H94-G98 WeakPolarHBondContact O-CA 3.22Å; H94-G98 PolarHBondContact O-N 3.2Å |
| 99 | E | 80.5 | Confident | 85 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.4 | 178.9 | 61.2 | 177.2 | -114.7 | 0 | 0 | 113.1 | E92 Y93 R127 | E92-E99 WeakPolarHBondContact O-CA 3.47Å; Y93-E99 HydrophobicContact CD2-CB 4.14Å; E99-R127 IonicContact OE1-CZ 2.79Å; E99-R127 IonicContact OE1-NH1 3.2Å; E99-R127 PolarHBondContact OE1-NH1 3.17Å; E99-R127 IonicContact OE1-NH2 2.8Å; E99-R127 IonicContact OE2-CZ 3.91Å; E99-R127 IonicContact OE2-NH1 2.85Å; E99-R127 PolarHBondContact OE2-NH1 2.87Å; E99-R127 IonicContact OE2-NH2 2.82Å; E99-R127 PolarHBondContact OE2-NH2 3.12Å |
| 100 | R | 83.6 | Confident | 85.1 | Confident | 118 Ų | 118 | 52.1 Ų | 52.1 | 45% | 0.445 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.5 | 172.1 | 171.4 | 175.8 | -179.1 | -72.4 | -6 | 109.5 | Y91 E92 E106 | Y91-R100 CarbonylContact C-O 3.55Å; Y91-R100 WeakPolarHBondContact CA-O 3.46Å; Y91-R100 WeakPolarHBondContact CB-O 3.16Å; E92-R100 HydrophobicContact CG-CB 3.78Å; E92-R100 HydrophobicContact CG-CG 4.34Å; E92-R100 PolarHBondContact N-O 3.31Å; E92-R100 PolarHBondContact O-N 3.06Å; E92-R100 WeakPolarHBondContact OE1-CD 3.39Å; E92-R100 WeakPolarHBondContact OE1-CG 3.26Å; E92-R100 IonicContact OE1-CZ 3.91Å; E92-R100 IonicContact OE1-NE 3.12Å; E92-R100 IonicContact OE1-NH1 2.76Å; E92-R100 PolarHBondContact OE1-NH1 3.47Å; R100-E106 IonicContact CZ-OE1 3.92Å; R100-E106 IonicContact CZ-OE2 2.69Å; R100-E106 IonicContact NH1-OE1 3.24Å; R100-E106 IonicContact NH1-OE2 3.43Å; R100-E106 PolarHBondContact NH1-OE2 3.21Å; R100-E106 IonicContact NH2-OE1 2.88Å; R100-E106 PolarHBondContact NH2-OE1 3.18Å; R100-E106 IonicContact NH2-OE2 3.86Å; R100-E106 PolarHBondContact NH2-OE2 2.97Å |
| 101 | R | 87 | Confident | 84.9 | Confident | 122 Ų | 122 | 53 Ų | 53 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 128 | 170.4 | -174.9 | -155.8 | -179.7 | 130.2 | 18.3 | 108.9 | Y91 E129 | Y91-R101 HydrophobicContact CD1-CB 3.98Å; Y91-R101 HydrophobicContact CE1-CB 3.8Å; Y91-R101 HydrophobicContact CE1-CG 4.26Å; Y91-R101 HydrophobicContact CE2-CG 4.47Å; R101-E129 IonicContact CZ-OE1 3.95Å; R101-E129 VanDerWaalsContact CZ-OE1 3.23Å; R101-E129 IonicContact CZ-OE2 2.82Å; R101-E129 IonicContact NH1-OE1 2.7Å; R101-E129 PolarHBondContact NH1-OE1 3.41Å; R101-E129 IonicContact NH1-OE2 2.72Å; R101-E129 IonicContact NH2-OE1 3.17Å; R101-E129 PolarHBondContact NH2-OE1 2.68Å; R101-E129 IonicContact NH2-OE2 2.64Å; R101-E129 PolarHBondContact NH2-OE2 3.17Å |
| 102 | L | 91.5 | Very high | 84.9 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -68 | 140.1 | 170.8 | -88.4 | 68.6 | 0 | 0 | 0 | 110.6 | A65 I90 E92 E106 P108 V111 F124 | A65-L102 HydrophobicContact CB-CB 4.3Å; I90-L102 HydrophobicContact CG2-CD1 4.47Å; I90-L102 HydrophobicContact CG2-CD2 4.22Å; I90-L102 PolarHBondContact O-N 3.12Å; E92-L102 HydrophobicContact CB-CD1 3.77Å; E92-L102 HydrophobicContact CG-CD1 3.89Å; E92-L102 VanDerWaalsContact N-CD1 3.31Å; L102-E106 WeakPolarHBondContact CA-OE2 3.24Å; L102-P108 HydrophobicContact CD2-CB 4.22Å; L102-P108 HydrophobicContact CD2-CG 3.86Å; L102-V111 HydrophobicContact CD2-CG2 4.29Å; L102-F124 HydrophobicContact CD1-CD1 4.2Å; L102-F124 HydrophobicContact CD1-CE1 4.11Å; L102-F124 HydrophobicContact CD2-CD1 4.25Å; L102-F124 HydrophobicContact CD2-CE1 3.9Å |
| 103 | G | 85.4 | Confident | 84.8 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 145.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D105 E106 | G103-D105 PolarHBondContact O-N 3.43Å; G103-E106 PolarHBondContact N-OE2 3.22Å; G103-E106 WeakPolarHBondContact O-CB 3.24Å; G103-E106 PolarHBondContact O-N 3.17Å |
| 104 | A | 85.2 | Confident | 84.7 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R66 | R66-A104 HydrophobicContact CB-CB 4.3Å; R66-A104 WeakPolarHBondContact CB-O 3.35Å; R66-A104 PolarHBondContact N-O 3.42Å |
| 105 | D | 86.2 | Confident | 84.7 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 7.3 | -177.3 | -59.9 | -64.2 | 0 | 0 | 0 | 113.1 | T64 R66 G103 | T64-D105 WeakPolarHBondContact CG2-O 3.3Å; R66-D105 IonicContact CZ-OD1 2.77Å; R66-D105 IonicContact CZ-OD2 3.92Å; R66-D105 IonicContact NH1-OD1 3.68Å; R66-D105 PolarHBondContact NH1-OD1 3.34Å; R66-D105 IonicContact NH1-OD2 3.97Å; R66-D105 PolarHBondContact NH1-OD2 3.47Å; G103-D105 PolarHBondContact O-N 3.43Å |
| 106 | E | 92.2 | Very high | 84.7 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | trans | -78.5 | 137.3 | 170.9 | -66.8 | 175.7 | -180 | 0 | 0 | 110.3 | T64 A65 R100 L102 G103 | T64-E106 CarbonylContact C-O 3.58Å; T64-E106 WeakPolarHBondContact CA-O 3.45Å; A65-E106 PolarHBondContact N-O 3.04Å; R100-E106 IonicContact CZ-OE1 3.92Å; R100-E106 IonicContact CZ-OE2 2.69Å; R100-E106 IonicContact NH1-OE1 3.24Å; R100-E106 IonicContact NH1-OE2 3.43Å; R100-E106 PolarHBondContact NH1-OE2 3.21Å; R100-E106 IonicContact NH2-OE1 2.88Å; R100-E106 PolarHBondContact NH2-OE1 3.18Å; R100-E106 IonicContact NH2-OE2 3.86Å; R100-E106 PolarHBondContact NH2-OE2 2.97Å; L102-E106 WeakPolarHBondContact CA-OE2 3.24Å; G103-E106 PolarHBondContact N-OE2 3.22Å; G103-E106 WeakPolarHBondContact O-CB 3.24Å; G103-E106 PolarHBondContact O-N 3.17Å | ||
| 107 | A | 91.4 | Very high | 84.4 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | trans | -94.6 | 115.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | N61 D63 L109 L110 V111 | N61-A107 VanDerWaalsContact O-CB 3.24Å; N61-A107 WeakPolarHBondContact O-CB 3.31Å; D63-A107 WeakPolarHBondContact O-CA 3.35Å; A107-L109 PolarHBondContact O-N 3.2Å; A107-L109 VanDerWaalsContact O-N 3.07Å; A107-L110 HydrophobicContact CB-CD1 4.25Å; A107-L110 PolarHBondContact O-N 2.93Å; A107-V111 PolarHBondContact O-N 3.49Å | ||
| 108 | P | 92.4 | Very high | 84 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -25.8 | -175.6 | -27.1 | 36.5 | 0 | 0 | 0 | 114.6 | F43 I59 D63 L68 L102 Q112 F124 | F43-P108 HydrophobicContact CE1-CB 4.15Å; F43-P108 HydrophobicContact CE1-CG 4.22Å; F43-P108 HydrophobicContact CZ-CB 4.09Å; F43-P108 HydrophobicContact CZ-CG 4.26Å; I59-P108 HydrophobicContact CD1-CB 4.21Å; D63-P108 VanDerWaalsContact O-CD 3.27Å; D63-P108 WeakPolarHBondContact O-CD 3.47Å; L68-P108 HydrophobicContact CD1-CG 3.78Å; L102-P108 HydrophobicContact CD2-CB 4.22Å; L102-P108 HydrophobicContact CD2-CG 3.86Å; P108-Q112 VanDerWaalsContact O-CB 3.27Å; P108-Q112 WeakPolarHBondContact O-CB 3.42Å; P108-Q112 PolarHBondContact O-N 3.39Å; P108-F124 HydrophobicContact CB-CD2 4.42Å; P108-F124 HydrophobicContact CB-CE1 4.12Å; P108-F124 HydrophobicContact CB-CE2 3.96Å; P108-F124 HydrophobicContact CB-CZ 3.81Å; P108-F124 WeakPolarHBondContact O-CZ 3.33Å |
| 109 | L | 93 | Very high | 83.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.6 | -34.6 | 176.2 | -168.8 | 64.7 | 0 | 0 | 0 | 112.7 | I28 F37 V41 I59 N61 A107 L113 | I28-L109 HydrophobicContact CD1-CD1 4Å; I28-L109 HydrophobicContact CG1-CD1 4.28Å; F37-L109 HydrophobicContact CD2-CD2 3.66Å; F37-L109 HydrophobicContact CD2-CG 4.35Å; F37-L109 HydrophobicContact CE2-CD2 3.68Å; F37-L109 HydrophobicContact CE2-CG 3.89Å; V41-L109 HydrophobicContact CG2-CD1 3.74Å; I59-L109 HydrophobicContact CD1-CB 3.9Å; I59-L109 HydrophobicContact CG1-CB 4.09Å; N61-L109 HydrophobicContact CB-CD2 4.2Å; A107-L109 PolarHBondContact O-N 3.2Å; A107-L109 VanDerWaalsContact O-N 3.07Å; L109-L113 WeakPolarHBondContact O-CB 3.31Å; L109-L113 PolarHBondContact O-N 3.16Å; L109-L113 VanDerWaalsContact O-N 3.16Å |
| 110 | L | 89.8 | Confident | 82.5 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.7 | -39.2 | 174.9 | -77.6 | 168.1 | 0 | 0 | 0 | 111.3 | F37 N61 A107 L113 N114 | F37-L110 HydrophobicContact CE1-CD2 4.16Å; F37-L110 HydrophobicContact CZ-CD2 3.74Å; F37-L110 HydrophobicContact CZ-CG 4.44Å; N61-L110 HydrophobicContact CB-CG 4.21Å; A107-L110 HydrophobicContact CB-CD1 4.25Å; A107-L110 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 2.77Å; L110-N114 PolarHBondContact O-N 2.98Å |
| 111 | V | 89.5 | Confident | 82 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -51.3 | 173 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | E92 L102 A107 L113 N114 W115 F124 | E92-V111 WeakPolarHBondContact OE2-CG1 3.46Å; L102-V111 HydrophobicContact CD2-CG2 4.29Å; A107-V111 PolarHBondContact O-N 3.49Å; V111-L113 VanDerWaalsContact C-N 3.28Å; V111-L113 PolarHBondContact O-N 3.41Å; V111-N114 PolarHBondContact O-N 3.29Å; V111-N114 VanDerWaalsContact O-N 3.08Å; V111-W115 HydrophobicContact CG1-CZ2 4.39Å; V111-W115 PolarHBondContact O-N 3.48Å; V111-F124 HydrophobicContact CB-CE1 4.3Å; V111-F124 HydrophobicContact CB-CZ 4.11Å; V111-F124 HydrophobicContact CG1-CE1 3.85Å; V111-F124 HydrophobicContact CG1-CZ 3.96Å |
| 112 | Q | 89.4 | Confident | 81.8 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 178 | -171 | 176.9 | -71.9 | 0 | 0 | 113.1 | W18 P108 N114 W115 F124 | W18-Q112 HydrophobicContact CH2-CG 3.45Å; W18-Q112 VanDerWaalsContact CH2-CG 3.45Å; W18-Q112 HydrophobicContact CZ2-CG 4.01Å; W18-Q112 HydrophobicContact CZ3-CG 3.89Å; W18-Q112 VanDerWaalsContact CZ3-O 3.29Å; W18-Q112 WeakPolarHBondContact CZ3-O 3.46Å; P108-Q112 VanDerWaalsContact O-CB 3.27Å; P108-Q112 WeakPolarHBondContact O-CB 3.42Å; P108-Q112 PolarHBondContact O-N 3.39Å; Q112-N114 VanDerWaalsContact C-N 3.3Å; Q112-N114 PolarHBondContact O-N 3.26Å; Q112-W115 HydrophobicContact CB-CE3 4.32Å; Q112-W115 HydrophobicContact CB-CZ3 4.29Å; Q112-W115 HydrophobicContact CG-CE3 3.8Å; Q112-W115 HydrophobicContact CG-CH2 4.39Å; Q112-W115 HydrophobicContact CG-CZ3 3.73Å; Q112-W115 PolarHBondContact O-N 3.02Å; Q112-F124 HydrophobicContact CB-CE2 3.95Å; Q112-F124 HydrophobicContact CB-CZ 4.1Å; Q112-F124 HydrophobicContact CG-CE2 4.46Å |
| 113 | L | 87.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.5 | -19.5 | 179.7 | -173.1 | 62.5 | 0 | 0 | 0 | 113.3 | L11 R14 I15 W18 I28 F37 L109 L110 V111 T116 | L11-L113 HydrophobicContact CD1-CD2 3.59Å; R14-L113 HydrophobicContact CB-CD1 4Å; R14-L113 HydrophobicContact CB-CD2 4.45Å; R14-L113 HydrophobicContact CB-CG 4.13Å; I15-L113 HydrophobicContact CD1-CD2 4.28Å; I15-L113 HydrophobicContact CG1-CD1 4.04Å; I15-L113 HydrophobicContact CG1-CD2 3.74Å; W18-L113 HydrophobicContact CB-CD1 4.04Å; W18-L113 HydrophobicContact CG-CD1 4.43Å; I28-L113 HydrophobicContact CD1-CD1 4.2Å; F37-L113 HydrophobicContact CE2-CD2 4.03Å; F37-L113 HydrophobicContact CZ-CD2 3.79Å; L109-L113 WeakPolarHBondContact O-CB 3.31Å; L109-L113 PolarHBondContact O-N 3.16Å; L109-L113 VanDerWaalsContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 2.77Å; V111-L113 VanDerWaalsContact C-N 3.28Å; V111-L113 PolarHBondContact O-N 3.41Å; L113-T116 PolarHBondContact O-OG1 3.18Å |
| 114 | N | 83.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 46.7 Ų | 46.7 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -82.6 | -24.4 | 175.2 | -72.6 | -18.7 | 0 | 0 | 0 | 112.8 | R14 L110 V111 Q112 T116 A117 E118 | R14-N114 PolarHBondContact NH1-OD1 3.48Å; L110-N114 PolarHBondContact O-N 2.98Å; V111-N114 PolarHBondContact O-N 3.29Å; V111-N114 VanDerWaalsContact O-N 3.08Å; Q112-N114 VanDerWaalsContact C-N 3.3Å; Q112-N114 PolarHBondContact O-N 3.26Å; N114-T116 PolarHBondContact O-N 3Å; N114-T116 VanDerWaalsContact O-N 3.15Å; N114-A117 WeakPolarHBondContact O-CA 3.43Å; N114-A117 WeakPolarHBondContact O-CB 3.32Å; N114-A117 PolarHBondContact O-N 2.95Å; N114-E118 PolarHBondContact O-N 3.26Å |
| 115 | W | 84.3 | Confident | 82.1 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 6% | 0.057 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36.2 | -179 | -64.5 | -17 | 0 | 0 | 0 | 113.4 | E92 H94 V111 Q112 E118 N119 Q120 G122 F124 | E92-W115 HydrophobicContact CB-CZ2 4.27Å; E92-W115 PolarHBondContact OE2-NE1 3.01Å; H94-W115 AromaticContact CE1-CD1 3.48Å; H94-W115 VanDerWaalsContact CE1-CD1 3.48Å; H94-W115 AromaticContact CE1-CD2 3.95Å; H94-W115 AromaticContact CE1-CE2 3.67Å; H94-W115 AromaticContact CE1-CG 3.86Å; H94-W115 AromaticContact CE1-NE1 3.34Å; H94-W115 PolarHBondContact CE1-NE1 3.07Å; H94-W115 VanDerWaalsContact CE1-NE1 3.34Å; H94-W115 AromaticContact NE2-CD1 3.69Å; H94-W115 AromaticContact NE2-CE2 3.83Å; H94-W115 AromaticContact NE2-NE1 3.24Å; H94-W115 PolarHBondContact NE2-NE1 3.43Å; V111-W115 HydrophobicContact CG1-CZ2 4.39Å; V111-W115 PolarHBondContact O-N 3.48Å; Q112-W115 HydrophobicContact CB-CE3 4.32Å; Q112-W115 HydrophobicContact CB-CZ3 4.29Å; Q112-W115 HydrophobicContact CG-CE3 3.8Å; Q112-W115 HydrophobicContact CG-CH2 4.39Å; Q112-W115 HydrophobicContact CG-CZ3 3.73Å; Q112-W115 PolarHBondContact O-N 3.02Å; W115-E118 PolarHBondContact O-N 3.04Å; W115-N119 PolarHBondContact O-N 2.79Å; W115-Q120 CarbonylContact C-O 3.53Å; W115-Q120 WeakPolarHBondContact CB-O 3.5Å; W115-Q120 PolarHBondContact O-N 2.98Å; W115-G122 WeakPolarHBondContact CH2-O 3.39Å; W115-G122 WeakPolarHBondContact CZ3-O 3.37Å; W115-F124 HydrophobicContact CH2-CD1 4.42Å; W115-F124 AromaticContact CH2-CD2 3.94Å; W115-F124 HydrophobicContact CH2-CD2 3.94Å; W115-F124 HydrophobicContact CH2-CE1 4.05Å; W115-F124 AromaticContact CH2-CE2 3.53Å; W115-F124 HydrophobicContact CH2-CE2 3.53Å; W115-F124 HydrophobicContact CH2-CG 4.36Å; W115-F124 AromaticContact CH2-CZ 3.58Å; W115-F124 HydrophobicContact CH2-CZ 3.58Å; W115-F124 HydrophobicContact CZ2-CD1 4.28Å; W115-F124 AromaticContact CZ2-CE1 3.64Å; W115-F124 HydrophobicContact CZ2-CE1 3.64Å; W115-F124 AromaticContact CZ2-CE2 3.92Å; W115-F124 HydrophobicContact CZ2-CE2 3.92Å; W115-F124 AromaticContact CZ2-CZ 3.43Å; W115-F124 HydrophobicContact CZ2-CZ 3.43Å; W115-F124 VanDerWaalsContact CZ2-CZ 3.43Å; W115-F124 HydrophobicContact CZ3-CE2 4.37Å |
| 116 | T | 70 | Confident | 82.2 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 23% | 0.233 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -28.2 | 175.4 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | W18 L113 N114 E118 | W18-T116 HydrophobicContact CE3-CG2 3.72Å; W18-T116 HydrophobicContact CZ3-CG2 4.09Å; L113-T116 PolarHBondContact O-OG1 3.18Å; N114-T116 PolarHBondContact O-N 3Å; N114-T116 VanDerWaalsContact O-N 3.15Å; T116-E118 VanDerWaalsContact C-N 3.3Å |
| 117 | A | 62.2 | Low | 81.7 | Confident | 68 Ų | 68 | 38 Ų | 38 | 56% | 0.562 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N114 | N114-A117 WeakPolarHBondContact O-CA 3.43Å; N114-A117 WeakPolarHBondContact O-CB 3.32Å; N114-A117 PolarHBondContact O-N 2.95Å |
| 118 | E | 62.3 | Low | 81.2 | Confident | 113 Ų | 113 | 38.5 Ų | 38.5 | 53% | 0.528 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.8 | 177.4 | -58 | -176.9 | -157.3 | 0 | 0 | 113.4 | N114 W115 T116 Q120 | N114-E118 PolarHBondContact O-N 3.26Å; W115-E118 PolarHBondContact O-N 3.04Å; T116-E118 VanDerWaalsContact C-N 3.3Å; E118-Q120 HydrophobicContact CB-CG 4.31Å; E118-Q120 VanDerWaalsContact CB-NE2 3.35Å; E118-Q120 PolarHBondContact O-N 2.91Å; E118-Q120 PolarHBondContact OE2-NE2 3.29Å |
| 119 | N | 63.1 | Low | 80.4 | Confident | 159 Ų | 159 | 41.9 Ų | 41.9 | 85% | 0.85 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34.1 | -172.4 | -73.6 | -30.3 | 0 | 0 | 0 | 114.2 | W115 | W115-N119 PolarHBondContact O-N 2.79Š|
| 120 | Q | 64.1 | Low | 79.1 | Confident | 37 Ų | 37 | 45 Ų | 45 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | trans | -105.3 | 150.4 | 177.3 | -72.2 | 169.2 | 55.4 | 0 | 0 | 110.8 | N97 W115 E118 | N97-Q120 PolarHBondContact ND2-NE2 2.69Å; N97-Q120 VanDerWaalsContact ND2-NE2 3.17Å; N97-Q120 PolarHBondContact ND2-OE1 2.95Å; W115-Q120 CarbonylContact C-O 3.53Å; W115-Q120 WeakPolarHBondContact CB-O 3.5Å; W115-Q120 PolarHBondContact O-N 2.98Å; E118-Q120 HydrophobicContact CB-CG 4.31Å; E118-Q120 VanDerWaalsContact CB-NE2 3.35Å; E118-Q120 PolarHBondContact O-N 2.91Å; E118-Q120 PolarHBondContact OE2-NE2 3.29Å | ||
| 121 | E | 71.5 | Confident | 77.6 | Confident | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | trans | -110.4 | 133.7 | 163.4 | -177.1 | 149.4 | -113.1 | 0 | 0 | 109.4 | R22 H94 | R22-E121 IonicContact CZ-OE1 3.19Å; R22-E121 IonicContact NH1-OE1 3.84Å; R22-E121 PolarHBondContact NH1-OE1 3.23Å; R22-E121 IonicContact NH2-OE1 4Å; R22-E121 PolarHBondContact NH2-OE1 2.89Å; H94-E121 VanDerWaalsContact ND1-C 3.35Å; H94-E121 PolarHBondContact ND1-O 3.4Å | ||
| 122 | G | 83 | Confident | 75.5 | Confident | 10 Ų | 10 | 51 Ų | 51 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 162.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y93 H94 W115 | Y93-G122 CarbonylContact O-C 3.56Å; Y93-G122 VanDerWaalsContact O-CA 3.3Å; Y93-G122 WeakPolarHBondContact O-CA 3.42Å; H94-G122 WeakPolarHBondContact CE1-CA 3.36Å; H94-G122 WeakPolarHBondContact ND1-CA 3.35Å; W115-G122 WeakPolarHBondContact CH2-O 3.39Å; W115-G122 WeakPolarHBondContact CZ3-O 3.37Å |
| 123 | R | 86.1 | Confident | 73.2 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.9 | 174.2 | -60.9 | -179.2 | -179 | 137.7 | -10.6 | 110.2 | F44 Y93 I213 D215 | F44-R123 HydrophobicContact CD2-CB 4.2Å; F44-R123 HydrophobicContact CE2-CB 4.05Å; F44-R123 HydrophobicContact CE2-CG 4.19Å; Y93-R123 PolarHBondContact N-O 3.46Å; Y93-R123 PolarHBondContact O-N 3.24Å; R123-I213 PolarHBondContact NH1-O 2.95Å; R123-D215 IonicContact CZ-OD1 2.84Å; R123-D215 IonicContact NH2-OD1 3.8Å; R123-D215 PolarHBondContact NH2-OD1 2.97Å; R123-D215 IonicContact NH2-OD2 3.73Å; R123-D215 PolarHBondContact NH2-OD2 2.7Å |
| 124 | F | 93.5 | Very high | 70.5 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.7 | 175.4 | -63.9 | -64.4 | 0 | 0 | 0 | 112 | V41 F43 F44 I90 Y91 E92 L102 P108 V111 Q112 W115 | V41-F124 HydrophobicContact CG1-CD2 3.43Å; V41-F124 VanDerWaalsContact CG1-CD2 3.43Å; V41-F124 HydrophobicContact CG1-CE2 3.62Å; F43-F124 HydrophobicContact CD1-CB 3.58Å; F43-F124 HydrophobicContact CD1-CD2 4.48Å; F43-F124 HydrophobicContact CD1-CG 4.24Å; F43-F124 HydrophobicContact CE1-CB 3.95Å; F43-F124 HydrophobicContact CE1-CD2 4.19Å; F43-F124 HydrophobicContact CE1-CG 4.11Å; F43-F124 HydrophobicContact CG-CB 4.48Å; F44-F124 PolarHBondContact N-O 3.01Å; I90-F124 HydrophobicContact CG2-CB 4.12Å; I90-F124 HydrophobicContact CG2-CD1 4.05Å; I90-F124 HydrophobicContact CG2-CG 4.4Å; Y91-F124 CarbonylContact O-C 3.46Å; Y91-F124 VanDerWaalsContact O-CA 3.26Å; Y91-F124 WeakPolarHBondContact O-CA 3.48Å; E92-F124 HydrophobicContact CB-CD1 4.19Å; E92-F124 HydrophobicContact CB-CE1 4.15Å; L102-F124 HydrophobicContact CD1-CD1 4.2Å; L102-F124 HydrophobicContact CD1-CE1 4.11Å; L102-F124 HydrophobicContact CD2-CD1 4.25Å; L102-F124 HydrophobicContact CD2-CE1 3.9Å; P108-F124 HydrophobicContact CB-CD2 4.42Å; P108-F124 HydrophobicContact CB-CE1 4.12Å; P108-F124 HydrophobicContact CB-CE2 3.96Å; P108-F124 HydrophobicContact CB-CZ 3.81Å; P108-F124 WeakPolarHBondContact O-CZ 3.33Å; V111-F124 HydrophobicContact CB-CE1 4.3Å; V111-F124 HydrophobicContact CB-CZ 4.11Å; V111-F124 HydrophobicContact CG1-CE1 3.85Å; V111-F124 HydrophobicContact CG1-CZ 3.96Å; Q112-F124 HydrophobicContact CB-CE2 3.95Å; Q112-F124 HydrophobicContact CB-CZ 4.1Å; Q112-F124 HydrophobicContact CG-CE2 4.46Å; W115-F124 HydrophobicContact CH2-CD1 4.42Å; W115-F124 AromaticContact CH2-CD2 3.94Å; W115-F124 HydrophobicContact CH2-CD2 3.94Å; W115-F124 HydrophobicContact CH2-CE1 4.05Å; W115-F124 AromaticContact CH2-CE2 3.53Å; W115-F124 HydrophobicContact CH2-CE2 3.53Å; W115-F124 HydrophobicContact CH2-CG 4.36Å; W115-F124 AromaticContact CH2-CZ 3.58Å; W115-F124 HydrophobicContact CH2-CZ 3.58Å; W115-F124 HydrophobicContact CZ2-CD1 4.28Å; W115-F124 AromaticContact CZ2-CE1 3.64Å; W115-F124 HydrophobicContact CZ2-CE1 3.64Å; W115-F124 AromaticContact CZ2-CE2 3.92Å; W115-F124 HydrophobicContact CZ2-CE2 3.92Å; W115-F124 AromaticContact CZ2-CZ 3.43Å; W115-F124 HydrophobicContact CZ2-CZ 3.43Å; W115-F124 VanDerWaalsContact CZ2-CZ 3.43Å; W115-F124 HydrophobicContact CZ3-CE2 4.37Å |
| 125 | I | 88.5 | Confident | 67.9 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.1 | -179 | -45.2 | 174.6 | 0 | 0 | 0 | 110.1 | F44 R46 Y52 Y91 Y93 R127 I213 | F44-I125 CarbonylContact O-C 3.6Å; F44-I125 WeakPolarHBondContact O-CA 3.3Å; R46-I125 HydrophobicContact CB-CG2 4.38Å; Y52-I125 HydrophobicContact CE1-CD1 4.47Å; Y52-I125 HydrophobicContact CE1-CG2 4.29Å; Y91-I125 PolarHBondContact N-O 3.34Å; Y91-I125 PolarHBondContact O-N 3.26Å; Y93-I125 HydrophobicContact CD2-CD1 4.27Å; Y93-I125 HydrophobicContact CG-CD1 4.12Å; I125-R127 HydrophobicContact CG2-CG 3.85Å; I125-I213 HydrophobicContact CD1-CD1 3.51Å; I125-I213 HydrophobicContact CG1-CD1 4.47Å |
| 126 | L | 89.8 | Confident | 65.1 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 127.6 | 163.9 | -168.8 | 81.4 | 0 | 0 | 0 | 109.3 | F44 F45 V69 L72 V73 F76 Y88 A89 I90 | F44-L126 PolarHBondContact O-N 3.04Å; F45-L126 HydrophobicContact CD2-CB 4.25Å; F45-L126 HydrophobicContact CD2-CD2 4Å; F45-L126 HydrophobicContact CD2-CG 4.41Å; F45-L126 WeakPolarHBondContact CD2-O 3.4Å; V69-L126 HydrophobicContact CG2-CD1 4.15Å; L72-L126 HydrophobicContact CB-CD1 4.06Å; L72-L126 HydrophobicContact CB-CD2 4.02Å; L72-L126 HydrophobicContact CD1-CD1 4.28Å; V73-L126 HydrophobicContact CG2-CD2 4.16Å; F76-L126 HydrophobicContact CD2-CD2 4.1Å; Y88-L126 HydrophobicContact CD1-CD2 4.01Å; Y88-L126 HydrophobicContact CD1-CG 4.15Å; A89-L126 WeakPolarHBondContact O-CA 3.43Å; I90-L126 HydrophobicContact CG1-CD1 4.05Å |
| 127 | R | 80.9 | Confident | 63 | Low | 22 Ų | 22 | 76.5 Ų | 76.5 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 158.7 | 177.5 | -59.6 | -175.9 | 176.7 | -168.5 | -0.2 | 110.7 | Y88 A89 Y91 E99 I125 | Y88-R127 CarbonylContact C-O 3.57Å; Y88-R127 WeakPolarHBondContact CA-O 3.43Å; A89-R127 PolarHBondContact N-O 3.28Å; A89-R127 PolarHBondContact O-N 3.46Å; Y91-R127 HydrophobicContact CD2-CB 4.05Å; Y91-R127 HydrophobicContact CD2-CG 3.93Å; Y91-R127 HydrophobicContact CE2-CB 3.86Å; Y91-R127 HydrophobicContact CE2-CG 4.17Å; E99-R127 IonicContact OE1-CZ 2.79Å; E99-R127 IonicContact OE1-NH1 3.2Å; E99-R127 PolarHBondContact OE1-NH1 3.17Å; E99-R127 IonicContact OE1-NH2 2.8Å; E99-R127 IonicContact OE2-CZ 3.91Å; E99-R127 IonicContact OE2-NH1 2.85Å; E99-R127 PolarHBondContact OE2-NH1 2.87Å; E99-R127 IonicContact OE2-NH2 2.82Å; E99-R127 PolarHBondContact OE2-NH2 3.12Å; I125-R127 HydrophobicContact CG2-CG 3.85Å |
| 128 | D | 81.4 | Confident | 61.3 | Low | 22 Ų | 22 | 79.7 Ų | 79.7 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.5 | 176.9 | 173.4 | 14.6 | 0 | 0 | 0 | 110.7 | G86 R87 Y88 S130 K131 | G86-D128 WeakPolarHBondContact CA-OD1 3.31Å; R87-D128 PolarHBondContact N-OD1 3.26Å; Y88-D128 HydrophobicContact CD1-CB 4.03Å; Y88-D128 HydrophobicContact CE1-CB 3.75Å; D128-S130 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 3.02Å; D128-S130 VanDerWaalsContact OD1-CB 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.48Å; D128-S130 PolarHBondContact OD1-N 3.36Å; D128-S130 PolarHBondContact OD1-OG 2.77Å; D128-S130 PolarHBondContact OD2-OG 3.12Å; D128-S130 VanDerWaalsContact OD2-OG 3.06Å; D128-K131 HydrophobicContact CB-CD 4.41Å; D128-K131 WeakPolarHBondContact OD2-CD 3.35Å; D128-K131 WeakPolarHBondContact OD2-CE 3.24Å; D128-K131 IonicContact OD2-NZ 3.79Å |
| 129 | E | 74.5 | Confident | 59.4 | Low | 72 Ų | 72 | 79.9 Ų | 79.9 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -8.1 | 178.8 | -56.8 | -173.7 | 102.4 | 0 | 0 | 114.1 | R87 A89 R101 K131 | R87-E129 HydrophobicContact CB-CB 3.96Å; R87-E129 VanDerWaalsContact O-CB 3.3Å; R87-E129 WeakPolarHBondContact O-CB 3.38Å; R87-E129 WeakPolarHBondContact O-CG 3.22Å; R87-E129 PolarHBondContact O-N 3.17Å; A89-E129 HydrophobicContact CB-CG 4.25Å; R101-E129 IonicContact CZ-OE1 3.95Å; R101-E129 VanDerWaalsContact CZ-OE1 3.23Å; R101-E129 IonicContact CZ-OE2 2.82Å; R101-E129 IonicContact NH1-OE1 2.7Å; R101-E129 PolarHBondContact NH1-OE1 3.41Å; R101-E129 IonicContact NH1-OE2 2.72Å; R101-E129 IonicContact NH2-OE1 3.17Å; R101-E129 PolarHBondContact NH2-OE1 2.68Å; R101-E129 IonicContact NH2-OE2 2.64Å; R101-E129 PolarHBondContact NH2-OE2 3.17Å; E129-K131 PolarHBondContact O-N 2.59Å |
| 130 | S | 66.7 | Low | 57.6 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.9 | 177.6 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | G86 D128 P132 | G86-S130 WeakPolarHBondContact CA-OG 3.48Å; D128-S130 VanDerWaalsContact C-N 3.26Å; D128-S130 PolarHBondContact O-N 3.02Å; D128-S130 VanDerWaalsContact OD1-CB 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.48Å; D128-S130 PolarHBondContact OD1-N 3.36Å; D128-S130 PolarHBondContact OD1-OG 2.77Å; D128-S130 PolarHBondContact OD2-OG 3.12Å; D128-S130 VanDerWaalsContact OD2-OG 3.06Å; S130-P132 WeakPolarHBondContact O-CD 3.27Å |
| 131 | K | 58.4 | Low | 55.5 | Low | 87 Ų | 87 | 80.9 Ų | 80.9 | 38% | 0.378 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -93.6 | 111.2 | 178.3 | -66.6 | 170.5 | -179 | 177 | 0 | 109 | D48 D128 E129 Q133 | D48-K131 IonicContact OD1-NZ 2.74Å; D48-K131 PolarHBondContact OD1-NZ 3.47Å; D48-K131 IonicContact OD2-NZ 3.79Å; D48-K131 PolarHBondContact OD2-NZ 3.32Å; D128-K131 HydrophobicContact CB-CD 4.41Å; D128-K131 WeakPolarHBondContact OD2-CD 3.35Å; D128-K131 WeakPolarHBondContact OD2-CE 3.24Å; D128-K131 IonicContact OD2-NZ 3.79Å; E129-K131 PolarHBondContact O-N 2.59Å; K131-Q133 PolarHBondContact O-N 3.11Å; K131-Q133 VanDerWaalsContact O-N 3.13Å |
| 132 | P | 44 | Very low | 53.2 | Low | 127 Ų | 127 | 84.6 Ų | 84.6 | 83% | 0.825 | 45% | 0.453 | S | S | * | . | trans | -64 | 118.4 | 177.9 | 26.2 | -33.2 | 0 | 0 | 0 | 109.6 | S130 | S130-P132 WeakPolarHBondContact O-CD 3.27Š| ||
| 133 | Q | 43.1 | Very low | 50.3 | Low | 114 Ų | 114 | 91 Ų | 91 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | trans | -64.8 | 141.7 | 173.3 | -72 | -178.2 | -14.6 | 0 | 0 | 110.3 | K131 I135 | K131-Q133 PolarHBondContact O-N 3.11Å; K131-Q133 VanDerWaalsContact O-N 3.13Å; Q133-I135 HydrophobicContact CB-CD1 4.25Å; Q133-I135 HydrophobicContact CB-CG1 3.71Å; Q133-I135 PolarHBondContact O-N 3.12Å; Q133-I135 VanDerWaalsContact OE1-CG1 3.23Å | ||
| 134 | T | 30.2 | Very low | 47.2 | Very low | 142 Ų | 142 | 95.9 Ų | 95.9 | 87% | 0.871 | 51% | 0.51 | S | S | * | . | trans | -73.6 | 73.3 | 157.7 | 49.1 | 0 | 0 | 0 | 0 | 108.9 | T136 | T134-T136 PolarHBondContact O-N 3.13Š| ||
| 135 | I | 29.1 | Very low | 43.8 | Very low | 109 Ų | 109 | 99.4 Ų | 99.4 | 56% | 0.559 | 55% | 0.547 | S | S | * | . | trans | -73.6 | 104.8 | 168.6 | -61.9 | 165.6 | 0 | 0 | 0 | 107.1 | Q133 R137 | Q133-I135 HydrophobicContact CB-CD1 4.25Å; Q133-I135 HydrophobicContact CB-CG1 3.71Å; Q133-I135 PolarHBondContact O-N 3.12Å; Q133-I135 VanDerWaalsContact OE1-CG1 3.23Å; I135-R137 HydrophobicContact CG2-CG 3.93Å; I135-R137 PolarHBondContact O-N 3.1Å; I135-R137 VanDerWaalsContact O-N 3.09Å | ||
| 136 | T | 24.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 71% | 0.712 | 59% | 0.59 | S | S | * | * | trans | -64.3 | 102.9 | 154.8 | -29.1 | 0 | 0 | 0 | 0 | 106.1 | T134 P138 | T134-T136 PolarHBondContact O-N 3.13Å; T136-P138 WeakPolarHBondContact O-CD 3.22Å | ||
| 137 | R | 25 | Very low | 37.6 | Very low | 181 Ų | 181 | 110.3 Ų | 110.3 | 68% | 0.683 | 63% | 0.629 | S | S | * | * | trans | -72.4 | 127.9 | 175.8 | -73.9 | -168.9 | 178.2 | -169.4 | -3.4 | 109.1 | I135 D139 | I135-R137 HydrophobicContact CG2-CG 3.93Å; I135-R137 PolarHBondContact O-N 3.1Å; I135-R137 VanDerWaalsContact O-N 3.09Å; R137-D139 HydrophobicContact CB-CB 4.43Å; R137-D139 WeakPolarHBondContact CD-OD2 3.49Å; R137-D139 IonicContact NH1-OD2 3.74Å; R137-D139 PolarHBondContact NH1-OD2 3.19Å; R137-D139 PolarHBondContact O-N 3.13Å | ||
| 138 | P | 26.6 | Very low | 34.8 | Very low | 134 Ų | 134 | 115 Ų | 115 | 87% | 0.87 | 66% | 0.66 | S | S | * | * | trans | -78.1 | 54.7 | 167.5 | 34.9 | -35.2 | 0 | 0 | 0 | 110.2 | T136 S140 | T136-P138 WeakPolarHBondContact O-CD 3.22Å; P138-S140 PolarHBondContact O-N 3.19Å | ||
| 139 | D | 24.2 | Very low | 31.9 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | trans | -75.8 | 122.2 | 174 | -84.4 | -34.2 | 0 | 0 | 0 | 108.8 | R137 | R137-D139 HydrophobicContact CB-CB 4.43Å; R137-D139 WeakPolarHBondContact CD-OD2 3.49Å; R137-D139 IonicContact NH1-OD2 3.74Å; R137-D139 PolarHBondContact NH1-OD2 3.19Å; R137-D139 PolarHBondContact O-N 3.13Å | ||
| 140 | S | 23.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -59.7 | 130.3 | -171.3 | 57 | 0 | 0 | 0 | 0 | 115.1 | P138 | P138-S140 PolarHBondContact O-N 3.19Š| ||
| 141 | T | 21 | Very low | 27.4 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | 60.3 | 145.2 | 141.1 | -30.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 142 | Y | 23.1 | Very low | 25.7 | Very low | 193 Ų | 193 | 127 Ų | 127 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 84.9 | 94 | 171.1 | -66.8 | -87.1 | 0 | 0 | 0 | 119.4 | ||||
| 143 | Q | 22.4 | Very low | 25.2 | Very low | 146 Ų | 146 | 127 Ų | 127 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | 71.6 | 137.4 | 120.6 | -73.9 | -159.8 | 37 | 0 | 0 | 122.7 | |||||
| 144 | N | 20.3 | Very low | 24.1 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | 34.6 | 100.3 | 129.9 | -53 | -33 | 0 | 0 | 0 | 118.3 | |||||
| 145 | G | 21.3 | Very low | 23.8 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -174.3 | 81.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A147 | G145-A147 PolarHBondContact O-N 3.19Š| ||
| 146 | S | 22 | Very low | 23.6 | Very low | 131 Ų | 131 | 126 Ų | 126 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | trans | -71.7 | 114.5 | 169.5 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 147 | A | 25.8 | Very low | 23.4 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | -131.6 | 107.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G145 | G145-A147 PolarHBondContact O-N 3.19Š| ||
| 148 | T | 22.9 | Very low | 23.5 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 172.6 | 157.1 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | I150 | T148-I150 HydrophobicContact CG2-CD1 4.42Š| ||
| 149 | I | 21.5 | Very low | 23.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | trans | 103.3 | 107.6 | -179.2 | -59.4 | 162.3 | 0 | 0 | 0 | 110 | ||||
| 150 | I | 23.1 | Very low | 23.7 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 59% | 0.585 | 77% | 0.771 | S | S | * | * | cis | 71.1 | 87.1 | 37.7 | -49.9 | 179.6 | 0 | 0 | 0 | 112.9 | T148 S152 | T148-I150 HydrophobicContact CG2-CD1 4.42Å; I150-S152 PolarHBondContact O-N 2.72Å | ||
| 151 | T | 23.5 | Very low | 23.7 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -88.1 | 64.3 | 157.3 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 152 | S | 21.5 | Very low | 24 | Very low | 75 Ų | 75 | 141 Ų | 141 | 52% | 0.524 | 79% | 0.789 | S | S | . | * | trans | -132.6 | 117.2 | 162.8 | -38.3 | 0 | 0 | 0 | 0 | 104.6 | I150 | I150-S152 PolarHBondContact O-N 2.72Š| ||
| 153 | T | 33.1 | Very low | 24 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | 41.4 | 92.7 | 89.6 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 154 | S | 21.2 | Very low | 24.1 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 40.9 | 119 | 146.9 | 53.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 155 | T | 23.3 | Very low | 24.1 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -163 | 167 | 4.9 | -20 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 156 | T | 24 | Very low | 24.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 119.7 | 158.5 | 48.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 157 | H | 22.6 | Very low | 24.1 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | trans | 37.3 | 135.6 | 143.7 | -54.9 | -76.1 | 0 | 0 | 0 | 123.5 | ||||
| 158 | G | 25.8 | Very low | 23.9 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | 167.9 | 117.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 159 | L | 22.1 | Very low | 23.9 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -106.1 | 149.1 | 163.4 | -57.9 | 93.2 | 0 | 0 | 0 | 110.1 | ||||
| 160 | K | 34.1 | Very low | 23.9 | Very low | 214 Ų | 214 | 138.2 Ų | 138.2 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | -176.6 | 163.6 | 128.8 | -101.6 | 154.9 | -171.7 | 174 | 0 | 114.7 | |||||
| 161 | Q | 22.4 | Very low | 24.2 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | -88.9 | 155.4 | 174.4 | -50.2 | 153.6 | -9.6 | 0 | 0 | 110.3 | ||||
| 162 | R | 28.5 | Very low | 24.1 | Very low | 252 Ų | 252 | 139.1 Ų | 139.1 | 95% | 0.951 | 74% | 0.735 | S | S | * | * | -167.5 | -166.3 | 123.6 | -111.5 | 173.1 | 176.6 | 156.9 | 0.1 | 113.4 | |||||
| 163 | K | 23.5 | Very low | 24.1 | Very low | 172 Ų | 172 | 142 Ų | 142 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -147.2 | 162.3 | -139 | -144.5 | -176.3 | 163.6 | -136.1 | 0 | 110.9 | ||||
| 164 | D | 23 | Very low | 23.7 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 56% | 0.556 | 74% | 0.744 | S | S | * | * | trans | 62.8 | 112 | 149.4 | -69 | -37.9 | 0 | 0 | 0 | 121.6 | ||||
| 165 | N | 21.4 | Very low | 23.7 | Very low | 71 Ų | 71 | 143 Ų | 143 | 38% | 0.38 | 74% | 0.741 | S | S | . | * | 75.8 | 136.3 | 122.2 | -76.7 | -67.2 | 0 | 0 | 0 | 124.7 | K197 | N165-K197 VanDerWaalsContact OD1-CD 3.24Å; N165-K197 WeakPolarHBondContact OD1-CD 3.28Å; N165-K197 WeakPolarHBondContact OD1-CE 3.28Å; N165-K197 PolarHBondContact OD1-NZ 3.47Å | |||
| 166 | K | 22.6 | Very low | 23.8 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | 74.5 | 130.9 | 145 | -75 | -178.9 | -179.5 | -177.9 | 0 | 120.3 | ||||
| 167 | N | 20.3 | Very low | 24 | Very low | 111 Ų | 111 | 145 Ų | 145 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | trans | 55 | 112.9 | 133.2 | -58.5 | 25.9 | 0 | 0 | 0 | 118.4 | ||||
| 168 | L | 21.6 | Very low | 24.3 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | 66.4 | 92.8 | 78.3 | -178 | 105.9 | 0 | 0 | 0 | 113.6 | |||||
| 169 | L | 21.7 | Very low | 24.3 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -170.1 | 141.5 | 131.2 | -132.1 | 75.2 | 0 | 0 | 0 | 110.8 | ||||
| 170 | T | 22.5 | Very low | 24.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 59.4 | 167.9 | 163.8 | 58.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 171 | T | 29 | Very low | 24.1 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | cis | -139.8 | 174.5 | 17.8 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 172 | Q | 21.7 | Very low | 24.3 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | -33.6 | 154 | 163.4 | -69 | 167.7 | -41.1 | 0 | 0 | 119.8 | ||||
| 173 | N | 21.1 | Very low | 24.1 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 78.1 | 155.4 | 138.5 | -67.1 | 2.6 | 0 | 0 | 0 | 123.1 | ||||
| 174 | N | 24.6 | Very low | 24.2 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | 78.2 | 100.3 | 163 | -65.1 | 5.6 | 0 | 0 | 0 | 120.4 | ||||
| 175 | T | 22.8 | Very low | 24.4 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | 24.2 | 129.6 | 120.7 | 54.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 176 | D | 24.2 | Very low | 24.6 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | 54.1 | 104.3 | 138.4 | -49.2 | -31.7 | 0 | 0 | 0 | 120.1 | ||||
| 177 | D | 28.6 | Very low | 24.5 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | -161.6 | 157.5 | 110.4 | -138.3 | -5.2 | 0 | 0 | 0 | 117.2 | |||||
| 178 | K | 28.1 | Very low | 24.9 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | 14.8 | 115 | 157.8 | -72.5 | 158.1 | -162.5 | 79.5 | 0 | 122.5 | ||||
| 179 | Q | 26.5 | Very low | 25.1 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | 47.1 | 138.1 | 114.3 | -65.4 | -167.1 | 11.1 | 0 | 0 | 123.8 | |||||
| 180 | T | 26.4 | Very low | 25.1 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 66.4 | 93.9 | 147 | 54.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 181 | R | 26 | Very low | 25.3 | Very low | 253 Ų | 253 | 144 Ų | 144 | 96% | 0.955 | 75% | 0.752 | S | S | * | * | -178 | 134.3 | 102.7 | -105.1 | 177.3 | 164.5 | 137.4 | -3.6 | 114.4 | |||||
| 182 | G | 27.2 | Very low | 25.1 | Very low | 66 Ų | 66 | 148.9 Ų | 148.9 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | 93.1 | 107.3 | 127.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 183 | F | 22.9 | Very low | 25.4 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 56.1 | 84.8 | 137.6 | -75.5 | -87.1 | 0 | 0 | 0 | 120.9 | ||||
| 184 | V | 26.7 | Very low | 25.7 | Very low | 123 Ų | 123 | 154.9 Ų | 154.9 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | 26.8 | 109.6 | 101.3 | -175.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 185 | R | 26.9 | Very low | 25.7 | Very low | 141 Ų | 141 | 154 Ų | 154 | 53% | 0.532 | 77% | 0.765 | S | S | . | * | -168.8 | 165.4 | 108.7 | -135.6 | 163.4 | -78.6 | -177.7 | -13 | 115.3 | D48 | D48-R185 WeakPolarHBondContact O-CD 3.3Å; D48-R185 PolarHBondContact O-NH1 3.19Å; D48-R185 IonicContact OD1-CZ 2.62Å; D48-R185 IonicContact OD1-NH1 3.4Å; D48-R185 PolarHBondContact OD1-NH1 2.95Å; D48-R185 IonicContact OD1-NH2 3.54Å; D48-R185 PolarHBondContact OD1-NH2 3.07Å; D48-R185 IonicContact OD2-CZ 2.66Å; D48-R185 IonicContact OD2-NH1 2.77Å; D48-R185 IonicContact OD2-NH2 3.69Å; D48-R185 PolarHBondContact OD2-NH2 3.11Å | |||
| 186 | R | 24.7 | Very low | 25.7 | Very low | 230 Ų | 230 | 158 Ų | 158 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | 85 | 80.9 | 163.6 | -155.6 | 171.3 | -167 | 156.1 | 4.1 | 118 | ||||
| 187 | W | 22.1 | Very low | 25.6 | Very low | 250 Ų | 250 | 156.1 Ų | 156.1 | 95% | 0.947 | 75% | 0.752 | S | S | * | * | trans | -118.3 | 119.7 | 145.2 | -85.3 | 63.4 | 0 | 0 | 0 | 109.4 | ||||
| 188 | S | 28.5 | Very low | 25.4 | Very low | 80 Ų | 80 | 154.6 Ų | 154.6 | 56% | 0.559 | 75% | 0.751 | S | S | * | * | trans | -138.2 | 111.7 | 152.6 | -165.1 | 0 | 0 | 0 | 0 | 106.8 | G190 | S188-G190 PolarHBondContact O-N 3.18Š| ||
| 189 | S | 24.8 | Very low | 25.2 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 39.1 | 72.7 | 152.1 | 56.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 190 | G | 22.3 | Very low | 25.2 | Very low | 72 Ų | 72 | 154 Ų | 154 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -141.6 | 126.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S188 | S188-G190 PolarHBondContact O-N 3.18Š| ||
| 191 | S | 25.5 | Very low | 25.1 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -67.5 | 144.8 | -171.9 | -168.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 192 | R | 26.3 | Very low | 25 | Very low | 229 Ų | 229 | 154.6 Ų | 154.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | 39.4 | 103.5 | 155 | -65.7 | 174.2 | -178.3 | -170.6 | -0.7 | 117.6 | K194 | R192-K194 PolarHBondContact O-N 2.93Å; R192-K194 VanDerWaalsContact O-N 3.11Å | ||
| 193 | K | 28.4 | Very low | 25.1 | Very low | 217 Ų | 217 | 155.5 Ų | 155.5 | 94% | 0.943 | 76% | 0.756 | S | S | * | * | trans | -50.3 | 115.4 | 163.3 | -76.4 | -177.8 | 176.2 | 177.3 | 0 | 111.6 | ||||
| 194 | K | 25.7 | Very low | 25.3 | Very low | 206 Ų | 206 | 153.2 Ų | 153.2 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | trans | -101.2 | 147.5 | 152.1 | -119 | -178.5 | -179.1 | -179.5 | 0 | 108.1 | R192 | R192-K194 PolarHBondContact O-N 2.93Å; R192-K194 VanDerWaalsContact O-N 3.11Å | ||
| 195 | Q | 25.1 | Very low | 25.3 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 58% | 0.575 | 76% | 0.76 | S | S | * | * | trans | -68.6 | 150.3 | 174.4 | -62.6 | 177 | -7.5 | 0 | 0 | 111.3 | ||||
| 196 | R | 22.9 | Very low | 25.5 | Very low | 197 Ų | 197 | 155.4 Ų | 155.4 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 173.1 | 132.9 | 112.2 | -91 | 151.1 | 101.9 | 98.8 | -12.1 | 113.9 | |||||
| 197 | K | 22.9 | Very low | 25.8 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 48% | 0.483 | 76% | 0.758 | S | S | . | * | trans | 59.3 | 143.6 | 139.7 | -62.8 | -180 | 170.4 | -151.9 | 0 | 121.5 | N165 | N165-K197 VanDerWaalsContact OD1-CD 3.24Å; N165-K197 WeakPolarHBondContact OD1-CD 3.28Å; N165-K197 WeakPolarHBondContact OD1-CE 3.28Å; N165-K197 PolarHBondContact OD1-NZ 3.47Å | ||
| 198 | S | 23.1 | Very low | 26.4 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -90 | 138.2 | 166 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 199 | S | 24.1 | Very low | 26.6 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -164.2 | 147.8 | 150.4 | 51.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 200 | K | 27.6 | Very low | 27.1 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -67.4 | 153.9 | -172 | -73.7 | 175 | 173 | 178.6 | 0 | 114.8 | ||||
| 201 | N | 23.4 | Very low | 27.9 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 42.2 | 103 | 146.4 | -58.1 | 31.1 | 0 | 0 | 0 | 118.6 | ||||
| 202 | R | 24.2 | Very low | 28.7 | Very low | 249 Ų | 249 | 153 Ų | 153 | 94% | 0.94 | 74% | 0.738 | S | S | * | * | -117.7 | 102.8 | 121.2 | -80.5 | -172.3 | 174.3 | -176.2 | -3.2 | 107.8 | |||||
| 203 | S | 28.3 | Very low | 29.7 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | trans | -76.7 | 174.7 | 144.7 | 58.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 204 | D | 27.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 78.2 | 132.6 | 179 | -36.7 | -2.6 | 0 | 0 | 0 | 111.5 | ||
| 205 | L | 27.1 | Very low | 31.2 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 91% | 0.911 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 75.1 | 26.2 | -177 | -50 | 178.9 | 0 | 0 | 0 | 118.6 | ||
| 206 | I | 31 | Very low | 32 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | trans | -143.6 | 80.5 | 156.5 | -45.9 | 176.3 | 0 | 0 | 0 | 110.8 | ||||
| 207 | D | 30.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -124.4 | -21.5 | 162.3 | -91.5 | -49.7 | 0 | 0 | 0 | 112.5 | E209 | D207-E209 PolarHBondContact O-N 2.93Š|
| 208 | D | 34.2 | Very low | 32.8 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 88% | 0.882 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -6.7 | -172.4 | -57.8 | -66.9 | 0 | 0 | 0 | 116.4 | ||
| 209 | E | 33.7 | Very low | 33.2 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.612 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 7.6 | -171.1 | -125.9 | -167.7 | 174.8 | 0 | 0 | 115.8 | D207 | D207-E209 PolarHBondContact O-N 2.93Š|
| 210 | L | 35.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 128 Ų | 128 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -122.4 | 5.6 | -170.7 | -92.3 | 169.2 | 0 | 0 | 0 | 117.2 | ||
| 211 | E | 38.1 | Very low | 34.1 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 40% | 0.397 | 65% | 0.648 | S | S | . | * | trans | -98.1 | -9.9 | -175.7 | -87 | -86.9 | 116.2 | 0 | 0 | 115 | Y93 I213 | Y93-E211 WeakPolarHBondContact CE2-OE2 3.17Å; Y93-E211 VanDerWaalsContact CZ-OE2 3.31Å; Y93-E211 PolarHBondContact OH-O 3.24Å; Y93-E211 PolarHBondContact OH-OE2 2.82Å; E211-I213 PolarHBondContact O-N 3.47Å | ||
| 212 | Q | 41.6 | Very low | 34.7 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -67 | 90.2 | 176.3 | -80.4 | -169.8 | -33.8 | 0 | 0 | 112 | P214 | Q212-P214 WeakPolarHBondContact O-CD 3.23Š| ||
| 213 | I | 49 | Very low | 35.3 | Very low | 9 Ų | 9 | 115.8 Ų | 115.8 | 5% | 0.046 | 62% | 0.619 | C | S | . | * | trans | -59.1 | 118.9 | 168.1 | -54.9 | -179.3 | 0 | 0 | 0 | 107.8 | Y52 Y93 R123 I125 E211 | Y52-I213 HydrophobicContact CD1-CG2 4.29Å; Y52-I213 HydrophobicContact CD2-CG2 4.12Å; Y52-I213 HydrophobicContact CE1-CD1 4.39Å; Y52-I213 HydrophobicContact CE1-CG1 4.48Å; Y52-I213 HydrophobicContact CE1-CG2 4.3Å; Y52-I213 HydrophobicContact CE2-CB 4.47Å; Y52-I213 HydrophobicContact CE2-CG1 4.23Å; Y52-I213 HydrophobicContact CE2-CG2 4.12Å; Y52-I213 HydrophobicContact CG-CG2 4.2Å; Y93-I213 HydrophobicContact CD1-CD1 3.58Å; Y93-I213 HydrophobicContact CD1-CG1 4.46Å; Y93-I213 HydrophobicContact CD2-CD1 4.07Å; Y93-I213 HydrophobicContact CE1-CD1 3.87Å; Y93-I213 HydrophobicContact CE1-CG1 4.3Å; Y93-I213 HydrophobicContact CE2-CD1 4.33Å; Y93-I213 HydrophobicContact CG-CD1 3.69Å; R123-I213 PolarHBondContact NH1-O 2.95Å; I125-I213 HydrophobicContact CD1-CD1 3.51Å; I125-I213 HydrophobicContact CG1-CD1 4.47Å; E211-I213 PolarHBondContact O-N 3.47Å | ||
| 214 | P | 43.8 | Very low | 36.2 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | trans | -71.4 | 141.1 | -172.6 | 28 | -34.9 | 0 | 0 | 0 | 111.5 | Q212 T216 | Q212-P214 WeakPolarHBondContact O-CD 3.23Å; P214-T216 VanDerWaalsContact C-N 3.28Å; P214-T216 HydrophobicContact CG-CG2 4.24Å; P214-T216 PolarHBondContact O-N 3.12Å | ||
| 215 | D | 41.9 | Very low | 36.7 | Very low | 129 Ų | 129 | 112.9 Ų | 112.9 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | trans | -67.5 | 90.5 | 162.4 | -73.6 | -66.9 | 0 | 0 | 0 | 109.1 | R123 T217 | R123-D215 IonicContact CZ-OD1 2.84Å; R123-D215 IonicContact NH2-OD1 3.8Å; R123-D215 PolarHBondContact NH2-OD1 2.97Å; R123-D215 IonicContact NH2-OD2 3.73Å; R123-D215 PolarHBondContact NH2-OD2 2.7Å; D215-T217 PolarHBondContact O-N 3.19Å | ||
| 216 | T | 40.4 | Very low | 37.7 | Very low | 51 Ų | 51 | 109.9 Ų | 109.9 | 31% | 0.313 | 59% | 0.586 | S | S | . | * | trans | -66.3 | 104.9 | -174.1 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | P214 | P214-T216 VanDerWaalsContact C-N 3.28Å; P214-T216 HydrophobicContact CG-CG2 4.24Å; P214-T216 PolarHBondContact O-N 3.12Å | ||
| 217 | T | 33 | Very low | 38.6 | Very low | 118 Ų | 118 | 105.4 Ų | 105.4 | 72% | 0.724 | 56% | 0.562 | S | S | * | * | trans | -42.9 | 147.2 | 158.6 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | D215 T219 | D215-T217 PolarHBondContact O-N 3.19Å; T217-T219 PolarHBondContact O-N 3.15Å | ||
| 218 | F | 29.5 | Very low | 39.6 | Very low | 136 Ų | 136 | 102.4 Ų | 102.4 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | trans | -72.6 | 53.6 | -169.3 | -166.5 | -98 | 0 | 0 | 0 | 114.1 | R220 | F218-R220 HydrophobicContact CD1-CB 4.34Å; F218-R220 HydrophobicContact CD1-CG 4.16Å; F218-R220 HydrophobicContact CD2-CG 4.22Å; F218-R220 HydrophobicContact CE1-CB 4.17Å; F218-R220 HydrophobicContact CE1-CG 3.89Å; F218-R220 HydrophobicContact CE2-CG 3.98Å; F218-R220 VanDerWaalsContact CE2-NE 3.29Å; F218-R220 HydrophobicContact CG-CG 4.33Å; F218-R220 HydrophobicContact CZ-CG 3.83Å; F218-R220 VanDerWaalsContact CZ-CZ 3.43Å; F218-R220 PolarHBondContact O-N 2.9Å | ||
| 219 | T | 32.8 | Very low | 40.7 | Very low | 122 Ų | 122 | 100 Ų | 100 | 75% | 0.748 | 54% | 0.535 | S | S | * | . | trans | -76.5 | 63.4 | 171.4 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | T217 T221 | T217-T219 PolarHBondContact O-N 3.15Å; T219-T221 PolarHBondContact O-N 3.46Å | ||
| 220 | R | 37 | Very low | 41.8 | Very low | 141 Ų | 141 | 96.8 Ų | 96.8 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | trans | -70.1 | 94.2 | 175.3 | -88.3 | -159.8 | -176.9 | 170.3 | 2.7 | 110.2 | F218 L222 | F218-R220 HydrophobicContact CD1-CB 4.34Å; F218-R220 HydrophobicContact CD1-CG 4.16Å; F218-R220 HydrophobicContact CD2-CG 4.22Å; F218-R220 HydrophobicContact CE1-CB 4.17Å; F218-R220 HydrophobicContact CE1-CG 3.89Å; F218-R220 HydrophobicContact CE2-CG 3.98Å; F218-R220 VanDerWaalsContact CE2-NE 3.29Å; F218-R220 HydrophobicContact CG-CG 4.33Å; F218-R220 HydrophobicContact CZ-CG 3.83Å; F218-R220 VanDerWaalsContact CZ-CZ 3.43Å; F218-R220 PolarHBondContact O-N 2.9Å; R220-L222 HydrophobicContact CB-CD1 4.42Å; R220-L222 HydrophobicContact CB-CG 4.17Å; R220-L222 PolarHBondContact O-N 3.14Å | ||
| 221 | T | 33.8 | Very low | 42.8 | Very low | 141 Ų | 141 | 96.9 Ų | 96.9 | 87% | 0.865 | 51% | 0.507 | S | S | * | . | trans | -70.6 | 73 | 152.5 | 55.8 | 0 | 0 | 0 | 0 | 108.8 | T219 S223 | T219-T221 PolarHBondContact O-N 3.46Å; T221-S223 PolarHBondContact O-N 2.7Å; T221-S223 VanDerWaalsContact O-N 3.12Å | ||
| 222 | L | 34.6 | Very low | 43.9 | Very low | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | trans | -66 | 107 | 163.7 | -78.3 | 163.7 | 0 | 0 | 0 | 107.2 | R220 N224 | R220-L222 HydrophobicContact CB-CD1 4.42Å; R220-L222 HydrophobicContact CB-CG 4.17Å; R220-L222 PolarHBondContact O-N 3.14Å; L222-N224 VanDerWaalsContact C-N 3.25Å; L222-N224 PolarHBondContact O-N 3.03Å | ||
| 223 | S | 37.7 | Very low | 44.3 | Very low | 72 Ų | 72 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | trans | -56.6 | 104.1 | 144.7 | 39 | 0 | 0 | 0 | 0 | 105.8 | T221 P225 | T221-S223 PolarHBondContact O-N 2.7Å; T221-S223 VanDerWaalsContact O-N 3.12Å; S223-P225 VanDerWaalsContact O-N 3.13Å | ||
| 224 | N | 45.9 | Very low | 45.1 | Very low | 79 Ų | 79 | 104.4 Ų | 104.4 | 42% | 0.422 | 53% | 0.529 | S | S | . | . | trans | -48.6 | 122.1 | -173.9 | 163 | -5.3 | 0 | 0 | 0 | 108.3 | L222 D226 E227 V228 | L222-N224 VanDerWaalsContact C-N 3.25Å; L222-N224 PolarHBondContact O-N 3.03Å; N224-D226 VanDerWaalsContact C-N 3.25Å; N224-D226 PolarHBondContact O-N 3.12Å; N224-D226 WeakPolarHBondContact OD1-CA 3.35Å; N224-D226 WeakPolarHBondContact OD1-CB 3.48Å; N224-D226 PolarHBondContact OD1-N 3.06Å; N224-E227 HydrophobicContact CB-CB 3.59Å; N224-E227 CarbonylContact O-C 3.54Å; N224-E227 WeakPolarHBondContact O-CA 3.46Å; N224-E227 WeakPolarHBondContact O-CB 3.32Å; N224-E227 PolarHBondContact O-N 3.19Å; N224-E227 VanDerWaalsContact O-N 3.08Å; N224-E227 PolarHBondContact OD1-N 3.34Å; N224-V228 WeakPolarHBondContact O-CG2 3.32Å; N224-V228 PolarHBondContact O-N 2.68Å | ||
| 225 | P | 38.7 | Very low | 45.9 | Very low | 82 Ų | 82 | 107 Ų | 107 | 53% | 0.532 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | -172 | 26.1 | -34.1 | 0 | 0 | 0 | 111.4 | S223 V228 L229 | S223-P225 VanDerWaalsContact O-N 3.13Å; P225-V228 PolarHBondContact O-N 3.17Å; P225-L229 WeakPolarHBondContact O-CB 3.29Å; P225-L229 PolarHBondContact O-N 2.84Å |
| 226 | D | 47.9 | Very low | 46.8 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.7 | -36.5 | 174.2 | -56.6 | -65.5 | 0 | 0 | 0 | 110.9 | N224 V228 L229 R230 | N224-D226 VanDerWaalsContact C-N 3.25Å; N224-D226 PolarHBondContact O-N 3.12Å; N224-D226 WeakPolarHBondContact OD1-CA 3.35Å; N224-D226 WeakPolarHBondContact OD1-CB 3.48Å; N224-D226 PolarHBondContact OD1-N 3.06Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-V228 PolarHBondContact O-N 3.02Å; D226-L229 CarbonylContact O-C 3.52Å; D226-L229 PolarHBondContact O-N 2.99Å; D226-R230 WeakPolarHBondContact O-CA 3.37Å; D226-R230 WeakPolarHBondContact O-CB 3.21Å; D226-R230 PolarHBondContact O-N 2.73Å |
| 227 | E | 50.4 | Low | 47.2 | Very low | 41 Ų | 41 | 111.1 Ų | 111.1 | 19% | 0.192 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 170.3 | 178.6 | 63 | -175.1 | 0 | 0 | 112.1 | N224 R230 R231 | N224-E227 HydrophobicContact CB-CB 3.59Å; N224-E227 CarbonylContact O-C 3.54Å; N224-E227 WeakPolarHBondContact O-CA 3.46Å; N224-E227 WeakPolarHBondContact O-CB 3.32Å; N224-E227 PolarHBondContact O-N 3.19Å; N224-E227 VanDerWaalsContact O-N 3.08Å; N224-E227 PolarHBondContact OD1-N 3.34Å; E227-R230 IonicContact OE1-CZ 2.73Å; E227-R230 IonicContact OE1-NH2 3.65Å; E227-R230 PolarHBondContact OE1-NH2 3.24Å; E227-R230 IonicContact OE2-CZ 3.61Å; E227-R230 IonicContact OE2-NE 3.37Å; E227-R230 PolarHBondContact OE2-NE 2.98Å; E227-R230 IonicContact OE2-NH2 3.57Å; E227-R230 PolarHBondContact OE2-NH2 3.31Å; E227-R231 VanDerWaalsContact O-CB 3.28Å; E227-R231 WeakPolarHBondContact O-CB 3.12Å; E227-R231 VanDerWaalsContact O-CG 3.22Å; E227-R231 WeakPolarHBondContact O-CG 3.49Å; E227-R231 PolarHBondContact O-N 2.89Å; E227-R231 IonicContact OE1-CZ 2.71Å; E227-R231 IonicContact OE1-NE 3.67Å; E227-R231 PolarHBondContact OE1-NE 3.37Å; E227-R231 IonicContact OE1-NH2 2.83Å; E227-R231 PolarHBondContact OE1-NH2 3Å |
| 228 | V | 52.3 | Low | 48.1 | Very low | 61 Ų | 61 | 110.7 Ų | 110.7 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | N224 P225 D226 R230 R232 | N224-V228 WeakPolarHBondContact O-CG2 3.32Å; N224-V228 PolarHBondContact O-N 2.68Å; P225-V228 PolarHBondContact O-N 3.17Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-V228 PolarHBondContact O-N 3.02Å; V228-R230 VanDerWaalsContact C-N 3.35Å; V228-R232 VanDerWaalsContact O-CB 3.24Å; V228-R232 WeakPolarHBondContact O-CB 3.44Å; V228-R232 PolarHBondContact O-N 3.38Å |
| 229 | L | 57.7 | Low | 49 | Very low | 116 Ų | 116 | 108.1 Ų | 108.1 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -37.7 | 177.2 | -144.9 | 74.2 | 0 | 0 | 0 | 111.8 | P225 D226 R232 R233 | P225-L229 WeakPolarHBondContact O-CB 3.29Å; P225-L229 PolarHBondContact O-N 2.84Å; D226-L229 CarbonylContact O-C 3.52Å; D226-L229 PolarHBondContact O-N 2.99Å; L229-R232 CarbonylContact O-C 3.59Å; L229-R232 PolarHBondContact O-N 2.86Å; L229-R233 VanDerWaalsContact O-CB 3.28Å; L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 PolarHBondContact O-N 3.44Å |
| 230 | R | 56.7 | Low | 49.5 | Very low | 62 Ų | 62 | 109.5 Ų | 109.5 | 23% | 0.234 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -70.2 | -43.2 | 177.5 | -168.8 | -171 | 73.7 | 70.1 | 4.2 | 111.2 | D226 E227 V228 R233 Q234 | D226-R230 WeakPolarHBondContact O-CA 3.37Å; D226-R230 WeakPolarHBondContact O-CB 3.21Å; D226-R230 PolarHBondContact O-N 2.73Å; E227-R230 IonicContact OE1-CZ 2.73Å; E227-R230 IonicContact OE1-NH2 3.65Å; E227-R230 PolarHBondContact OE1-NH2 3.24Å; E227-R230 IonicContact OE2-CZ 3.61Å; E227-R230 IonicContact OE2-NE 3.37Å; E227-R230 PolarHBondContact OE2-NE 2.98Å; E227-R230 IonicContact OE2-NH2 3.57Å; E227-R230 PolarHBondContact OE2-NH2 3.31Å; V228-R230 VanDerWaalsContact C-N 3.35Å; R230-R233 CarbonylContact O-C 3.36Å; R230-R233 WeakPolarHBondContact O-CB 3.19Å; R230-R233 PolarHBondContact O-N 3.47Å; R230-Q234 WeakPolarHBondContact O-CB 3.4Å; R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.4Å |
| 231 | R | 56.4 | Low | 49.8 | Very low | 152 Ų | 152 | 106 Ų | 106 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 169.4 | -75 | 175.9 | -167.9 | -174.7 | 6.7 | 111.1 | E227 R233 Q234 Q235 | E227-R231 VanDerWaalsContact O-CB 3.28Å; E227-R231 WeakPolarHBondContact O-CB 3.12Å; E227-R231 VanDerWaalsContact O-CG 3.22Å; E227-R231 WeakPolarHBondContact O-CG 3.49Å; E227-R231 PolarHBondContact O-N 2.89Å; E227-R231 IonicContact OE1-CZ 2.71Å; E227-R231 IonicContact OE1-NE 3.67Å; E227-R231 PolarHBondContact OE1-NE 3.37Å; E227-R231 IonicContact OE1-NH2 2.83Å; E227-R231 PolarHBondContact OE1-NH2 3Å; R231-R233 VanDerWaalsContact C-N 3.27Å; R231-R233 PolarHBondContact O-N 3.48Å; R231-Q234 PolarHBondContact O-N 2.83Å; R231-Q235 VanDerWaalsContact O-CB 3.23Å; R231-Q235 WeakPolarHBondContact O-CB 3.3Å; R231-Q235 PolarHBondContact O-N 3.29Å |
| 232 | R | 59.9 | Low | 50.3 | Low | 120 Ų | 120 | 103.6 Ų | 103.6 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -30.5 | 176 | -153 | 170.5 | -166.5 | 176.7 | 3 | 112 | V228 L229 R236 | V228-R232 VanDerWaalsContact O-CB 3.24Å; V228-R232 WeakPolarHBondContact O-CB 3.44Å; V228-R232 PolarHBondContact O-N 3.38Å; L229-R232 CarbonylContact O-C 3.59Å; L229-R232 PolarHBondContact O-N 2.86Å; R232-R236 WeakPolarHBondContact O-CB 3.33Å; R232-R236 VanDerWaalsContact O-CG 3.24Å; R232-R236 WeakPolarHBondContact O-CG 3.27Å; R232-R236 PolarHBondContact O-N 3.15Å |
| 233 | R | 51.5 | Low | 50.6 | Low | 183 Ų | 183 | 100.8 Ų | 100.8 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73 | -46.1 | 171.7 | -169.3 | 179.7 | -172.2 | -175.6 | 3.3 | 111.8 | L229 R230 R231 Q235 R236 I237 | L229-R233 VanDerWaalsContact O-CB 3.28Å; L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 PolarHBondContact O-N 3.44Å; R230-R233 CarbonylContact O-C 3.36Å; R230-R233 WeakPolarHBondContact O-CB 3.19Å; R230-R233 PolarHBondContact O-N 3.47Å; R231-R233 VanDerWaalsContact C-N 3.27Å; R231-R233 PolarHBondContact O-N 3.48Å; R233-Q235 VanDerWaalsContact C-N 3.34Å; R233-Q235 PolarHBondContact O-N 3.03Å; R233-R236 PolarHBondContact O-N 3.14Å; R233-I237 HydrophobicContact CG-CD1 4.22Å; R233-I237 WeakPolarHBondContact O-CD1 3.46Å; R233-I237 VanDerWaalsContact O-CG1 3.28Å; R233-I237 WeakPolarHBondContact O-CG1 3.39Å; R233-I237 PolarHBondContact O-N 2.92Å |
| 234 | Q | 64.6 | Low | 50.9 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 173.8 | -78.1 | -174 | -56.9 | 0 | 0 | 111.5 | R230 R231 I237 H238 | R230-Q234 WeakPolarHBondContact O-CB 3.4Å; R230-Q234 WeakPolarHBondContact O-CG 3.35Å; R230-Q234 PolarHBondContact O-N 3.4Å; R231-Q234 PolarHBondContact O-N 2.83Å; Q234-I237 CarbonylContact O-C 3.54Å; Q234-I237 PolarHBondContact O-N 3.13Å; Q234-H238 WeakPolarHBondContact O-CB 3.39Å; Q234-H238 PolarHBondContact O-N 3.12Å |
| 235 | Q | 61.6 | Low | 50.5 | Low | 124 Ų | 124 | 102.6 Ų | 102.6 | 58% | 0.579 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.1 | -42.8 | 177 | -165 | 173.5 | 27.9 | 0 | 0 | 111.3 | R231 R233 I237 H238 N239 | R231-Q235 VanDerWaalsContact O-CB 3.23Å; R231-Q235 WeakPolarHBondContact O-CB 3.3Å; R231-Q235 PolarHBondContact O-N 3.29Å; R233-Q235 VanDerWaalsContact C-N 3.34Å; R233-Q235 PolarHBondContact O-N 3.03Å; Q235-I237 VanDerWaalsContact C-N 3.29Å; Q235-I237 PolarHBondContact O-N 2.77Å; Q235-H238 PolarHBondContact O-N 3Å; Q235-N239 WeakPolarHBondContact O-CB 3.46Å; Q235-N239 VanDerWaalsContact O-CG 3.25Å; Q235-N239 PolarHBondContact O-N 3.05Å; Q235-N239 PolarHBondContact O-OD1 3.47Å |
| 236 | R | 60 | Low | 50.4 | Low | 184 Ų | 184 | 101.6 Ų | 101.6 | 69% | 0.694 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.2 | -38.6 | 169.8 | -79.1 | 171.3 | 176.6 | 169.5 | -1.9 | 112.8 | R232 R233 R240 | R232-R236 WeakPolarHBondContact O-CB 3.33Å; R232-R236 VanDerWaalsContact O-CG 3.24Å; R232-R236 WeakPolarHBondContact O-CG 3.27Å; R232-R236 PolarHBondContact O-N 3.15Å; R233-R236 PolarHBondContact O-N 3.14Å; R236-R240 WeakPolarHBondContact O-CB 3.48Å; R236-R240 PolarHBondContact O-N 2.81Å; R236-R240 VanDerWaalsContact O-N 3.09Å |
| 237 | I | 49.5 | Very low | 49.8 | Very low | 82 Ų | 82 | 101.3 Ų | 101.3 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.4 | -45.1 | 176.3 | -69 | 162.2 | 0 | 0 | 0 | 110.7 | R233 Q234 Q235 R240 N241 | R233-I237 HydrophobicContact CG-CD1 4.22Å; R233-I237 WeakPolarHBondContact O-CD1 3.46Å; R233-I237 VanDerWaalsContact O-CG1 3.28Å; R233-I237 WeakPolarHBondContact O-CG1 3.39Å; R233-I237 PolarHBondContact O-N 2.92Å; Q234-I237 CarbonylContact O-C 3.54Å; Q234-I237 PolarHBondContact O-N 3.13Å; Q235-I237 VanDerWaalsContact C-N 3.29Å; Q235-I237 PolarHBondContact O-N 2.77Å; I237-R240 CarbonylContact O-C 3.6Å; I237-R240 PolarHBondContact O-N 3.31Å; I237-N241 VanDerWaalsContact O-CG 3.26Å; I237-N241 PolarHBondContact O-N 3.32Å; I237-N241 PolarHBondContact O-OD1 3.3Å |
| 238 | H | 51.5 | Low | 49 | Very low | 109 Ų | 109 | 107 Ų | 107 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 180 | -170.5 | 80.7 | 0 | 0 | 0 | 111.6 | Q234 Q235 R240 N241 Q242 | Q234-H238 WeakPolarHBondContact O-CB 3.39Å; Q234-H238 PolarHBondContact O-N 3.12Å; Q235-H238 PolarHBondContact O-N 3Å; H238-R240 VanDerWaalsContact C-N 3.32Å; H238-R240 PolarHBondContact O-N 3.45Å; H238-N241 WeakPolarHBondContact O-CB 3.41Å; H238-N241 PolarHBondContact O-N 3.43Å; H238-N241 VanDerWaalsContact O-N 3.14Å; H238-Q242 PolarHBondContact CD2-NE2 2.87Å; H238-Q242 PolarHBondContact NE2-NE2 3.33Å; H238-Q242 VanDerWaalsContact NE2-NE2 3.11Å; H238-Q242 PolarHBondContact O-N 2.81Å |
| 239 | N | 49.7 | Very low | 48.2 | Very low | 81 Ų | 81 | 107.9 Ų | 107.9 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 173.6 | -66.9 | 30.7 | 0 | 0 | 0 | 111.2 | Q235 N241 Q242 C243 | Q235-N239 WeakPolarHBondContact O-CB 3.46Å; Q235-N239 VanDerWaalsContact O-CG 3.25Å; Q235-N239 PolarHBondContact O-N 3.05Å; Q235-N239 PolarHBondContact O-OD1 3.47Å; N239-N241 VanDerWaalsContact C-N 3.28Å; N239-N241 PolarHBondContact O-N 3.01Å; N239-Q242 PolarHBondContact O-N 3.06Å; N239-C243 PolarHBondContact O-N 3.26Å; N239-C243 PolarHBondContact O-SG 2.84Å |
| 240 | R | 42.2 | Very low | 47.5 | Very low | 152 Ų | 152 | 109.6 Ų | 109.6 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -24.6 | 177.7 | -172.1 | 168.8 | -179.3 | 128.2 | 3.1 | 113.2 | R236 I237 H238 | R236-R240 WeakPolarHBondContact O-CB 3.48Å; R236-R240 PolarHBondContact O-N 2.81Å; R236-R240 VanDerWaalsContact O-N 3.09Å; I237-R240 CarbonylContact O-C 3.6Å; I237-R240 PolarHBondContact O-N 3.31Å; H238-R240 VanDerWaalsContact C-N 3.32Å; H238-R240 PolarHBondContact O-N 3.45Å |
| 241 | N | 43.5 | Very low | 46.7 | Very low | 67 Ų | 67 | 113.6 Ų | 113.6 | 36% | 0.358 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.8 | -47 | 169.6 | -68 | -2.4 | 0 | 0 | 0 | 110.6 | I237 H238 N239 C243 M244 | I237-N241 VanDerWaalsContact O-CG 3.26Å; I237-N241 PolarHBondContact O-N 3.32Å; I237-N241 PolarHBondContact O-OD1 3.3Å; H238-N241 WeakPolarHBondContact O-CB 3.41Å; H238-N241 PolarHBondContact O-N 3.43Å; H238-N241 VanDerWaalsContact O-N 3.14Å; N239-N241 VanDerWaalsContact C-N 3.28Å; N239-N241 PolarHBondContact O-N 3.01Å; N241-C243 VanDerWaalsContact C-N 3.27Å; N241-C243 PolarHBondContact O-N 2.91Å; N241-M244 VanDerWaalsContact O-CB 3.31Å; N241-M244 WeakPolarHBondContact O-CB 3.18Å; N241-M244 PolarHBondContact O-N 2.81Å |
| 242 | Q | 45.1 | Very low | 46.5 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -56.7 | -38.3 | 176.3 | -72.3 | 176.9 | -20.8 | 0 | 0 | 112.7 | H238 N239 M244 D245 | H238-Q242 PolarHBondContact CD2-NE2 2.87Å; H238-Q242 PolarHBondContact NE2-NE2 3.33Å; H238-Q242 VanDerWaalsContact NE2-NE2 3.11Å; H238-Q242 PolarHBondContact O-N 2.81Å; N239-Q242 PolarHBondContact O-N 3.06Å; Q242-M244 PolarHBondContact O-N 3.18Å; Q242-D245 PolarHBondContact O-N 2.72Å; Q242-D245 VanDerWaalsContact O-N 3.08Å |
| 243 | C | 40.9 | Very low | 46.4 | Very low | 49 Ų | 49 | 112.5 Ų | 112.5 | 33% | 0.331 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60 | -18.2 | 175.8 | -68.8 | 0 | 0 | 0 | 0 | 114.5 | N239 N241 K2389 | N239-C243 PolarHBondContact O-N 3.26Å; N239-C243 PolarHBondContact O-SG 2.84Å; N241-C243 VanDerWaalsContact C-N 3.27Å; N241-C243 PolarHBondContact O-N 2.91Å; C243-K2389 PolarHBondContact O-NZ 3.46Å |
| 244 | M | 42.3 | Very low | 47.3 | Very low | 88 Ų | 88 | 105.9 Ų | 105.9 | 43% | 0.433 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.4 | 178.1 | -62.8 | -75 | 166 | 0 | 0 | 113.5 | N241 Q242 P273 | N241-M244 VanDerWaalsContact O-CB 3.31Å; N241-M244 WeakPolarHBondContact O-CB 3.18Å; N241-M244 PolarHBondContact O-N 2.81Å; Q242-M244 PolarHBondContact O-N 3.18Å; M244-P273 HydrophobicContact CE-CB 3.88Å; M244-P273 HydrophobicContact CE-CG 3.69Å; M244-P273 HydrophobicContact SD-CB 4.38Å |
| 245 | D | 38.4 | Very low | 47.8 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -12.8 | -179.4 | -64.4 | -46.3 | 0 | 0 | 0 | 112.6 | Q242 T247 | Q242-D245 PolarHBondContact O-N 2.72Å; Q242-D245 VanDerWaalsContact O-N 3.08Å; D245-T247 PolarHBondContact O-N 3.27Å |
| 246 | I | 35.5 | Very low | 48.8 | Very low | 60 Ų | 60 | 99.1 Ų | 99.1 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -98.7 | 53.6 | -172.2 | -39.2 | 174.7 | 0 | 0 | 0 | 111.9 | K2389 | I246-K2389 PolarHBondContact O-NZ 3.08Š|
| 247 | T | 35.9 | Very low | 50.1 | Low | 105 Ų | 105 | 94.9 Ų | 94.9 | 64% | 0.644 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -158.8 | 118 | 161.4 | 36.8 | 0 | 0 | 0 | 0 | 108.3 | D245 G249 | D245-T247 PolarHBondContact O-N 3.27Å; T247-G249 PolarHBondContact O-N 2.69Å |
| 248 | D | 33 | Very low | 52 | Low | 160 Ų | 160 | 91 Ų | 91 | 86% | 0.856 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 50.6 | 48.8 | 166.8 | -57.7 | -10.7 | 0 | 0 | 0 | 118.1 | N250 | D248-N250 VanDerWaalsContact C-N 3.26Å; D248-N250 PolarHBondContact O-N 3.37Å |
| 249 | G | 35.9 | Very low | 53.8 | Low | 80 Ų | 80 | 89 Ų | 89 | 83% | 0.825 | 46% | 0.464 | S | S | * | . | S | Bend | 68.8 | -15.4 | 121 | 0 | 0 | 0 | 0 | 0 | 120.9 | T247 | T247-G249 PolarHBondContact O-N 2.69Š| |
| 250 | N | 43.1 | Very low | 55.5 | Low | 153 Ų | 153 | 85.2 Ų | 85.2 | 82% | 0.818 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -156.2 | 17.6 | -179.5 | -142.2 | -2 | 0 | 0 | 0 | 116.7 | D248 | D248-N250 VanDerWaalsContact C-N 3.26Å; D248-N250 PolarHBondContact O-N 3.37Å |
| 251 | K | 41 | Very low | 57.1 | Low | 145 Ų | 145 | 80.8 Ų | 80.8 | 63% | 0.63 | 44% | 0.436 | S | S | * | . | trans | -137.8 | 94.2 | 178 | -67.7 | -177.3 | -171.6 | 161 | 0 | 112.9 | G253 T276 | K251-G253 PolarHBondContact O-N 3.16Å; K251-T276 HydrophobicContact CB-CG2 4.03Å; K251-T276 WeakPolarHBondContact CB-OG1 3.14Å; K251-T276 VanDerWaalsContact CD-OG1 3.29Å; K251-T276 WeakPolarHBondContact CD-OG1 3.42Å | ||
| 252 | R | 50.8 | Low | 58.5 | Low | 218 Ų | 218 | 81.3 Ų | 81.3 | 82% | 0.823 | 45% | 0.445 | S | S | * | . | trans | -67.2 | 116 | -174.3 | -164.1 | -178.7 | -163.9 | -179.7 | 6 | 112.1 | ||||
| 253 | G | 57.7 | Low | 60 | Low | 31 Ų | 31 | 78.4 Ų | 78.4 | 32% | 0.32 | 43% | 0.432 | S | S | . | . | trans | -63.1 | 153.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K251 I274 | K251-G253 PolarHBondContact O-N 3.16Å; G253-I274 CarbonylContact C-O 3.52Å; G253-I274 WeakPolarHBondContact CA-O 2.98Å | ||
| 254 | S | 70.2 | Confident | 61.5 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.1 | -177.7 | -162.8 | 0 | 0 | 0 | 0 | 111.8 | V256 I274 | S254-V256 PolarHBondContact O-N 3.36Å; S254-I274 PolarHBondContact N-O 3.43Å; S254-I274 PolarHBondContact O-N 2.81Å |
| 255 | L | 76.1 | Confident | 62.8 | Low | 77 Ų | 77 | 78 Ų | 78 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 109.2 | 173.4 | -163.8 | 77.9 | 0 | 0 | 0 | 109.4 | L271 P273 | L255-L271 HydrophobicContact CD1-CB 4.46Å; L255-L271 HydrophobicContact CD2-CB 4.48Å; L255-L271 HydrophobicContact CD2-CD1 4.41Å; L255-L271 HydrophobicContact CD2-CD2 3.97Å; L255-L271 HydrophobicContact CG-CB 4.37Å; L255-L271 HydrophobicContact CG-CD2 4.01Å; L255-P273 HydrophobicContact CD1-CB 4.17Å |
| 256 | V | 82.4 | Confident | 64.1 | Low | 5 Ų | 5 | 77.8 Ų | 77.8 | 3% | 0.03 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.8 | -173.6 | 180 | 0 | 0 | 0 | 0 | 110.6 | S254 I258 L271 L272 I274 L348 I364 | S254-V256 PolarHBondContact O-N 3.36Å; V256-I258 HydrophobicContact CG1-CG1 4.29Å; V256-L271 WeakPolarHBondContact O-CA 3.47Å; V256-L272 PolarHBondContact N-O 2.76Å; V256-L272 PolarHBondContact O-N 3.19Å; V256-I274 HydrophobicContact CB-CD1 3.63Å; V256-I274 HydrophobicContact CB-CG1 4.15Å; V256-I274 HydrophobicContact CG1-CD1 4.09Å; V256-I274 HydrophobicContact CG2-CB 4.3Å; V256-I274 HydrophobicContact CG2-CD1 3.85Å; V256-I274 HydrophobicContact CG2-CG1 4.14Å; V256-L348 HydrophobicContact CG2-CD2 3.93Å; V256-I364 HydrophobicContact CG1-CD1 3.63Å |
| 257 | K | 87.4 | Confident | 66 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 41% | 0.409 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.1 | 167.4 | -70.2 | -175.8 | -179.8 | -176 | 0 | 109.1 | Y259 Y269 I270 L271 | K257-Y259 HydrophobicContact CB-CE2 3.94Å; K257-Y269 HydrophobicContact CB-CD2 4.13Å; K257-Y269 HydrophobicContact CD-CD2 4.02Å; K257-Y269 HydrophobicContact CD-CE2 3.87Å; K257-Y269 HydrophobicContact CD-CG 4.46Å; K257-Y269 HydrophobicContact CG-CD2 3.82Å; K257-Y269 HydrophobicContact CG-CE2 3.89Å; K257-I270 WeakPolarHBondContact CA-O 3.47Å; K257-L271 HydrophobicContact CB-CD2 4.44Å; K257-L271 HydrophobicContact CG-CD2 3.51Å; K257-L271 HydrophobicContact CG-CG 4.34Å |
| 258 | I | 90.2 | Very high | 67.7 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.8 | 171.3 | -56.9 | -171.8 | 0 | 0 | 0 | 108.1 | V256 G260 Y269 I270 L272 I274 I283 T287 L304 I364 I366 | V256-I258 HydrophobicContact CG1-CG1 4.29Å; I258-G260 PolarHBondContact O-N 3.3Å; I258-Y269 CarbonylContact O-C 2.72Å; I258-Y269 WeakPolarHBondContact O-CA 3.25Å; I258-Y269 WeakPolarHBondContact O-CB 3.19Å; I258-I270 HydrophobicContact CB-CG1 4.21Å; I258-I270 PolarHBondContact N-O 3.25Å; I258-I270 PolarHBondContact O-N 3.13Å; I258-L272 HydrophobicContact CD1-CD1 3.93Å; I258-I274 HydrophobicContact CD1-CD1 4.21Å; I258-I283 HydrophobicContact CD1-CG2 3.16Å; I258-T287 HydrophobicContact CG2-CG2 4.24Å; I258-L304 HydrophobicContact CG2-CD2 4.3Å; I258-I364 WeakPolarHBondContact CA-O 3.28Å; I258-I364 HydrophobicContact CG1-CG2 4.23Å; I258-I364 HydrophobicContact CG2-CG2 4.48Å; I258-I366 HydrophobicContact CG2-CB 4.31Å; I258-I366 HydrophobicContact CG2-CG2 4.36Å |
| 259 | Y | 88.7 | Confident | 70.3 | Confident | 69 Ų | 69 | 73 Ų | 73 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 112.1 | -176.6 | -67.9 | -96.8 | 0 | 0 | 0 | 110 | K257 P268 Y269 I363 I364 Q365 I366 | K257-Y259 HydrophobicContact CB-CE2 3.94Å; Y259-P268 CarbonylContact C-O 3.53Å; Y259-P268 WeakPolarHBondContact CA-O 3.22Å; Y259-Y269 HydrophobicContact CD1-CD1 4.44Å; Y259-Y269 HydrophobicContact CD1-CG 4.46Å; Y259-Y269 HydrophobicContact CE1-CD1 4.02Å; Y259-Y269 HydrophobicContact CE1-CG 4.28Å; Y259-I363 HydrophobicContact CD2-CG2 3.59Å; Y259-I363 HydrophobicContact CE2-CG2 3.72Å; Y259-I363 HydrophobicContact CG-CG2 4.38Å; Y259-I364 WeakPolarHBondContact CD2-O 3.21Å; Y259-I364 PolarHBondContact N-O 2.9Å; Y259-Q365 WeakPolarHBondContact O-CA 3.36Å; Y259-I366 PolarHBondContact O-N 3.25Å |
| 260 | G | 85.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -117.4 | 30.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I258 S262 L263 N264 P268 Y291 | I258-G260 PolarHBondContact O-N 3.3Å; G260-S262 PolarHBondContact O-N 3.15Å; G260-S262 VanDerWaalsContact O-N 3.13Å; G260-L263 WeakPolarHBondContact O-CA 3.41Å; G260-L263 WeakPolarHBondContact O-CB 3.42Å; G260-L263 PolarHBondContact O-N 3.06Å; G260-N264 PolarHBondContact O-N 3.13Å; G260-P268 PolarHBondContact N-O 2.81Å; G260-Y291 VanDerWaalsContact CA-OH 3.28Å; G260-Y291 WeakPolarHBondContact CA-OH 3.13Å; G260-Y291 PolarHBondContact N-OH 3.47Å | ||
| 261 | S | 75.9 | Confident | 74.6 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.5 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | P268 | S261-P268 PolarHBondContact N-O 2.76Å; S261-P268 VanDerWaalsContact N-O 3.1Å |
| 262 | S | 71.6 | Confident | 76.7 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.5 | 168 | 44.7 | 0 | 0 | 0 | 0 | 114.2 | G260 I366 | G260-S262 PolarHBondContact O-N 3.15Å; G260-S262 VanDerWaalsContact O-N 3.13Å; S262-I366 PolarHBondContact OG-O 3.45Å |
| 263 | L | 76.7 | Confident | 78.1 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -44.2 | 177.7 | -57.4 | 177.3 | 0 | 0 | 0 | 111.4 | G260 T287 L288 Y291 L293 Y302 I366 | G260-L263 WeakPolarHBondContact O-CA 3.41Å; G260-L263 WeakPolarHBondContact O-CB 3.42Å; G260-L263 PolarHBondContact O-N 3.06Å; L263-T287 HydrophobicContact CD1-CG2 4.4Å; L263-L288 HydrophobicContact CD1-CD2 3.97Å; L263-L288 HydrophobicContact CD2-CD2 4.44Å; L263-Y291 HydrophobicContact CD1-CD2 3.64Å; L263-Y291 HydrophobicContact CD1-CE2 3.96Å; L263-Y291 HydrophobicContact CD1-CG 4.3Å; L263-L293 HydrophobicContact CB-CD1 4.02Å; L263-L293 HydrophobicContact CD1-CD1 4.29Å; L263-L293 HydrophobicContact CD2-CD1 4.24Å; L263-L293 HydrophobicContact CG-CD1 4.43Å; L263-Y302 HydrophobicContact CD2-CD1 4.04Å; L263-Y302 HydrophobicContact CD2-CE1 3.33Å; L263-I366 HydrophobicContact CD1-CD1 4.13Å; L263-I366 HydrophobicContact CD1-CG1 4.37Å; L263-I366 HydrophobicContact CD1-CG2 3.56Å; L263-I366 HydrophobicContact CG-CG2 4.09Å |
| 264 | N | 72.8 | Confident | 79.2 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | trans | -152.6 | 106.3 | 179.3 | 179.8 | -0.4 | 0 | 0 | 0 | 110.3 | G260 T266 I267 Y291 | G260-N264 PolarHBondContact O-N 3.13Å; N264-T266 PolarHBondContact ND2-OG1 3.06Å; N264-T266 PolarHBondContact O-N 3.2Å; N264-T266 WeakPolarHBondContact OD1-CB 3.5Å; N264-T266 PolarHBondContact OD1-N 3.48Å; N264-T266 PolarHBondContact OD1-OG1 3.47Å; N264-I267 CarbonylContact O-C 3.52Å; N264-I267 PolarHBondContact O-N 3.41Å; N264-Y291 HydrophobicContact CB-CD1 3.85Å; N264-Y291 HydrophobicContact CB-CE1 3.85Å | ||
| 265 | P | 69.9 | Low | 79.6 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 53% | 0.526 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.5 | 179.7 | 27.3 | -34.8 | 0 | 0 | 0 | 113.7 | I267 | P265-I267 VanDerWaalsContact C-N 3.29Å; P265-I267 PolarHBondContact O-N 2.71Å |
| 266 | T | 65.1 | Low | 79.7 | Confident | 98 Ų | 98 | 45.3 Ų | 45.3 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.6 | 177.1 | 69 | 0 | 0 | 0 | 0 | 113.2 | N264 | N264-T266 PolarHBondContact ND2-OG1 3.06Å; N264-T266 PolarHBondContact O-N 3.2Å; N264-T266 WeakPolarHBondContact OD1-CB 3.5Å; N264-T266 PolarHBondContact OD1-N 3.48Å; N264-T266 PolarHBondContact OD1-OG1 3.47Å |
| 267 | I | 74.9 | Confident | 79.4 | Confident | 84 Ų | 84 | 50.3 Ų | 50.3 | 43% | 0.431 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -128.6 | 75.3 | 172.1 | -54.9 | 177.6 | 0 | 0 | 0 | 106.6 | N264 P265 Y269 I270 Y291 | N264-I267 CarbonylContact O-C 3.52Å; N264-I267 PolarHBondContact O-N 3.41Å; P265-I267 VanDerWaalsContact C-N 3.29Å; P265-I267 PolarHBondContact O-N 2.71Å; I267-Y269 PolarHBondContact O-N 2.84Å; I267-Y269 VanDerWaalsContact O-N 3.09Å; I267-I270 HydrophobicContact CG2-CG2 4.32Å; I267-Y291 HydrophobicContact CB-CE1 4.03Å; I267-Y291 HydrophobicContact CG2-CE1 4.18Å; I267-Y291 VanDerWaalsContact O-CE1 3.28Å; I267-Y291 WeakPolarHBondContact O-CE1 3.42Å; I267-Y291 PolarHBondContact O-OH 3.07Å |
| 268 | P | 72.9 | Confident | 79.3 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | trans | -67.5 | -17.4 | -163.6 | 26.2 | -35.8 | 0 | 0 | 0 | 114.3 | Y259 G260 S261 | Y259-P268 CarbonylContact C-O 3.53Å; Y259-P268 WeakPolarHBondContact CA-O 3.22Å; G260-P268 PolarHBondContact N-O 2.81Å; S261-P268 PolarHBondContact N-O 2.76Å; S261-P268 VanDerWaalsContact N-O 3.1Å | ||
| 269 | Y | 88.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 48.3 Ų | 48.3 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156 | 166.4 | 71.4 | -92.6 | 0 | 0 | 0 | 111.1 | K257 I258 Y259 I267 L271 | K257-Y269 HydrophobicContact CB-CD2 4.13Å; K257-Y269 HydrophobicContact CD-CD2 4.02Å; K257-Y269 HydrophobicContact CD-CE2 3.87Å; K257-Y269 HydrophobicContact CD-CG 4.46Å; K257-Y269 HydrophobicContact CG-CD2 3.82Å; K257-Y269 HydrophobicContact CG-CE2 3.89Å; I258-Y269 CarbonylContact O-C 2.72Å; I258-Y269 WeakPolarHBondContact O-CA 3.25Å; I258-Y269 WeakPolarHBondContact O-CB 3.19Å; Y259-Y269 HydrophobicContact CD1-CD1 4.44Å; Y259-Y269 HydrophobicContact CD1-CG 4.46Å; Y259-Y269 HydrophobicContact CE1-CD1 4.02Å; Y259-Y269 HydrophobicContact CE1-CG 4.28Å; I267-Y269 PolarHBondContact O-N 2.84Å; I267-Y269 VanDerWaalsContact O-N 3.09Å; Y269-L271 HydrophobicContact CD2-CG 4.42Å; Y269-L271 HydrophobicContact CE2-CD1 4.26Å; Y269-L271 HydrophobicContact CE2-CG 4.04Å |
| 270 | I | 84.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 159.1 | 165.2 | 58.9 | 165.3 | 0 | 0 | 0 | 110.4 | K257 I258 I267 L272 T287 K290 Y291 | K257-I270 WeakPolarHBondContact CA-O 3.47Å; I258-I270 HydrophobicContact CB-CG1 4.21Å; I258-I270 PolarHBondContact N-O 3.25Å; I258-I270 PolarHBondContact O-N 3.13Å; I267-I270 HydrophobicContact CG2-CG2 4.32Å; I270-L272 HydrophobicContact CD1-CD1 4.13Å; I270-L272 HydrophobicContact CD1-CD2 4.18Å; I270-L272 HydrophobicContact CD1-CG 3.9Å; I270-T287 HydrophobicContact CD1-CG2 3.74Å; I270-T287 HydrophobicContact CG1-CG2 4.43Å; I270-K290 HydrophobicContact CB-CD 4.48Å; I270-K290 HydrophobicContact CD1-CB 3.95Å; I270-K290 HydrophobicContact CD1-CD 4.2Å; I270-K290 HydrophobicContact CG2-CB 4.28Å; I270-Y291 HydrophobicContact CD1-CE2 4.41Å; I270-Y291 HydrophobicContact CG1-CE2 4.3Å; I270-Y291 HydrophobicContact CG2-CD2 4.46Å; I270-Y291 HydrophobicContact CG2-CE1 4.28Å; I270-Y291 HydrophobicContact CG2-CE2 3.88Å |
| 271 | L | 84.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122 | 167.9 | -74.4 | 158 | 0 | 0 | 0 | 108.9 | L255 V256 K257 Y269 K290 | L255-L271 HydrophobicContact CD1-CB 4.46Å; L255-L271 HydrophobicContact CD2-CB 4.48Å; L255-L271 HydrophobicContact CD2-CD1 4.41Å; L255-L271 HydrophobicContact CD2-CD2 3.97Å; L255-L271 HydrophobicContact CG-CB 4.37Å; L255-L271 HydrophobicContact CG-CD2 4.01Å; V256-L271 WeakPolarHBondContact O-CA 3.47Å; K257-L271 HydrophobicContact CB-CD2 4.44Å; K257-L271 HydrophobicContact CG-CD2 3.51Å; K257-L271 HydrophobicContact CG-CG 4.34Å; Y269-L271 HydrophobicContact CD2-CG 4.42Å; Y269-L271 HydrophobicContact CE2-CD1 4.26Å; Y269-L271 HydrophobicContact CE2-CG 4.04Å; L271-K290 PolarHBondContact O-NZ 3.26Å |
| 272 | L | 84.4 | Confident | 79.9 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.9 | 168.1 | -68.1 | -177.6 | 0 | 0 | 0 | 109.3 | V256 I258 I270 I274 I283 W286 K290 | V256-L272 PolarHBondContact N-O 2.76Å; V256-L272 PolarHBondContact O-N 3.19Å; I258-L272 HydrophobicContact CD1-CD1 3.93Å; I270-L272 HydrophobicContact CD1-CD1 4.13Å; I270-L272 HydrophobicContact CD1-CD2 4.18Å; I270-L272 HydrophobicContact CD1-CG 3.9Å; L272-I274 HydrophobicContact CB-CD1 4.4Å; L272-I274 HydrophobicContact CB-CG1 4.05Å; L272-I283 HydrophobicContact CD1-CG2 4.19Å; L272-W286 HydrophobicContact CD1-CB 3.8Å; L272-W286 HydrophobicContact CD1-CE3 4.47Å; L272-W286 HydrophobicContact CD2-CB 4.12Å; L272-K290 HydrophobicContact CD2-CD 3.67Å; L272-K290 VanDerWaalsContact CD2-CE 3.46Å; L272-K290 HydrophobicContact CD2-CG 4.32Å |
| 273 | P | 79.8 | Confident | 80.8 | Confident | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.156 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 133.7 | 157.6 | 31.7 | -30.1 | 0 | 0 | 0 | 107.6 | M244 L255 | M244-P273 HydrophobicContact CE-CB 3.88Å; M244-P273 HydrophobicContact CE-CG 3.69Å; M244-P273 HydrophobicContact SD-CB 4.38Å; L255-P273 HydrophobicContact CD1-CB 4.17Å |
| 274 | I | 82.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.5 | -177.6 | -52.7 | -172.6 | 0 | 0 | 0 | 108.2 | G253 S254 V256 I258 L272 D278 I283 L348 | G253-I274 CarbonylContact C-O 3.52Å; G253-I274 WeakPolarHBondContact CA-O 2.98Å; S254-I274 PolarHBondContact N-O 3.43Å; S254-I274 PolarHBondContact O-N 2.81Å; V256-I274 HydrophobicContact CB-CD1 3.63Å; V256-I274 HydrophobicContact CB-CG1 4.15Å; V256-I274 HydrophobicContact CG1-CD1 4.09Å; V256-I274 HydrophobicContact CG2-CB 4.3Å; V256-I274 HydrophobicContact CG2-CD1 3.85Å; V256-I274 HydrophobicContact CG2-CG1 4.14Å; I258-I274 HydrophobicContact CD1-CD1 4.21Å; L272-I274 HydrophobicContact CB-CD1 4.4Å; L272-I274 HydrophobicContact CB-CG1 4.05Å; I274-D278 VanDerWaalsContact CA-OD2 3.31Å; I274-D278 WeakPolarHBondContact CA-OD2 3.31Å; I274-D278 HydrophobicContact CG2-CB 3.86Å; I274-I283 HydrophobicContact CD1-CD1 4.03Å; I274-I283 HydrophobicContact CD1-CG1 4.18Å; I274-I283 HydrophobicContact CD1-CG2 3.93Å; I274-I283 HydrophobicContact CG2-CD1 3.6Å; I274-I283 HydrophobicContact CG2-CG1 4.18Å; I274-L348 HydrophobicContact CG2-CG 4.16Å; I274-L348 WeakPolarHBondContact O-CD1 3.37Å |
| 275 | S | 78.7 | Confident | 82.3 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | trans | -91.5 | 169.1 | 174.3 | 95.1 | 0 | 0 | 0 | 0 | 112 | N277 D278 | S275-N277 PolarHBondContact O-N 2.86Å; S275-N277 PolarHBondContact OG-N 3.13Å; S275-D278 VanDerWaalsContact CB-OD1 3.3Å; S275-D278 WeakPolarHBondContact CB-OD1 3.31Å; S275-D278 PolarHBondContact N-OD2 3.07Å; S275-D278 PolarHBondContact O-N 3Å; S275-D278 VanDerWaalsContact OG-CG 3.26Å; S275-D278 PolarHBondContact OG-N 2.78Å; S275-D278 PolarHBondContact OG-OD1 3.09Å | ||
| 276 | T | 78.1 | Confident | 83.2 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -0.1 | 172.9 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | K251 C346 L348 K349 | K251-T276 HydrophobicContact CB-CG2 4.03Å; K251-T276 WeakPolarHBondContact CB-OG1 3.14Å; K251-T276 VanDerWaalsContact CD-OG1 3.29Å; K251-T276 WeakPolarHBondContact CD-OG1 3.42Å; T276-C346 PolarHBondContact O-SG 2.84Å; T276-L348 HydrophobicContact CG2-CD1 4.46Å; T276-K349 WeakPolarHBondContact O-CE 3.47Å |
| 277 | N | 76.1 | Confident | 84.4 | Confident | 109 Ų | 109 | 42.7 Ų | 42.7 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -14.6 | -178.8 | -57.5 | -15.9 | 0 | 0 | 0 | 111.7 | S275 | S275-N277 PolarHBondContact O-N 2.86Å; S275-N277 PolarHBondContact OG-N 3.13Å |
| 278 | D | 84.1 | Confident | 85.1 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | trans | -72.9 | 134.2 | -176.2 | -56.3 | -3.2 | 0 | 0 | 0 | 110.8 | I274 S275 I283 W286 C346 | I274-D278 VanDerWaalsContact CA-OD2 3.31Å; I274-D278 WeakPolarHBondContact CA-OD2 3.31Å; I274-D278 HydrophobicContact CG2-CB 3.86Å; S275-D278 VanDerWaalsContact CB-OD1 3.3Å; S275-D278 WeakPolarHBondContact CB-OD1 3.31Å; S275-D278 PolarHBondContact N-OD2 3.07Å; S275-D278 PolarHBondContact O-N 3Å; S275-D278 VanDerWaalsContact OG-CG 3.26Å; S275-D278 PolarHBondContact OG-N 2.78Å; S275-D278 PolarHBondContact OG-OD1 3.09Å; D278-I283 HydrophobicContact CB-CD1 4Å; D278-I283 HydrophobicContact CB-CG1 4.16Å; D278-W286 HydrophobicContact CB-CH2 4.39Å; D278-W286 HydrophobicContact CB-CZ3 4.26Å; D278-W286 VanDerWaalsContact OD2-CZ3 3.3Å; D278-W286 WeakPolarHBondContact OD2-CZ3 3.33Å; D278-C346 WeakPolarHBondContact O-CA 3.35Å; D278-C346 PolarHBondContact O-SG 3.25Å | ||
| 279 | T | 88.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 157.3 | 180 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | E281 Q282 I283 D343 D345 | T279-E281 PolarHBondContact O-N 2.89Å; T279-Q282 PolarHBondContact O-N 2.75Å; T279-Q282 VanDerWaalsContact O-N 3.15Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.22Å; T279-Q282 PolarHBondContact OG1-N 2.99Å; T279-I283 VanDerWaalsContact O-CD1 3.29Å; T279-I283 WeakPolarHBondContact O-CD1 3.39Å; T279-I283 VanDerWaalsContact O-CG1 3.25Å; T279-I283 WeakPolarHBondContact O-CG1 3.41Å; T279-I283 PolarHBondContact O-N 3.22Å; T279-D343 WeakPolarHBondContact CB-O 3.5Å; T279-D345 CarbonylContact C-O 3.59Å |
| 280 | A | 89.1 | Confident | 85.5 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.5 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I283 V284 L304 L341 H342 D343 D345 V347 | A280-I283 PolarHBondContact O-N 3.34Å; A280-V284 WeakPolarHBondContact O-CG2 3.2Å; A280-V284 PolarHBondContact O-N 3.43Å; A280-L304 HydrophobicContact CB-CD1 4.02Å; A280-L341 HydrophobicContact CB-CB 4.35Å; A280-H342 WeakPolarHBondContact CB-O 3.42Å; A280-D343 PolarHBondContact N-O 3.14Å; A280-D345 PolarHBondContact N-O 2.99Å; A280-V347 HydrophobicContact CB-CG2 4.32Å |
| 281 | E | 88.3 | Confident | 85.6 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.9 | -49 | 175.1 | -175 | 177.3 | -159.7 | 0 | 0 | 112.9 | T279 I283 V284 L285 D343 | T279-E281 PolarHBondContact O-N 2.89Å; E281-I283 VanDerWaalsContact C-N 3.27Å; E281-I283 PolarHBondContact O-N 3.47Å; E281-V284 PolarHBondContact O-N 3.46Å; E281-L285 PolarHBondContact O-N 2.97Å; E281-D343 HydrophobicContact CB-CB 4.18Å; E281-D343 WeakPolarHBondContact CB-O 3.3Å; E281-D343 PolarHBondContact N-O 3.36Å |
| 282 | Q | 86.9 | Confident | 85.5 | Confident | 82 Ų | 82 | 45.2 Ų | 45.2 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 177.1 | -68.3 | 168 | -20.8 | 0 | 0 | 111.6 | T279 L285 W286 | T279-Q282 PolarHBondContact O-N 2.75Å; T279-Q282 VanDerWaalsContact O-N 3.15Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.22Å; T279-Q282 PolarHBondContact OG1-N 2.99Å; Q282-L285 VanDerWaalsContact O-CB 3.27Å; Q282-L285 WeakPolarHBondContact O-CB 3.49Å; Q282-L285 PolarHBondContact O-N 2.69Å; Q282-W286 PolarHBondContact O-N 3.35Å |
| 283 | I | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.7 | -34.2 | -179.5 | -64.5 | 159.4 | 0 | 0 | 0 | 110.9 | I258 L272 I274 D278 T279 A280 E281 W286 T287 L304 V347 | I258-I283 HydrophobicContact CD1-CG2 3.16Å; L272-I283 HydrophobicContact CD1-CG2 4.19Å; I274-I283 HydrophobicContact CD1-CD1 4.03Å; I274-I283 HydrophobicContact CD1-CG1 4.18Å; I274-I283 HydrophobicContact CD1-CG2 3.93Å; I274-I283 HydrophobicContact CG2-CD1 3.6Å; I274-I283 HydrophobicContact CG2-CG1 4.18Å; D278-I283 HydrophobicContact CB-CD1 4Å; D278-I283 HydrophobicContact CB-CG1 4.16Å; T279-I283 VanDerWaalsContact O-CD1 3.29Å; T279-I283 WeakPolarHBondContact O-CD1 3.39Å; T279-I283 VanDerWaalsContact O-CG1 3.25Å; T279-I283 WeakPolarHBondContact O-CG1 3.41Å; T279-I283 PolarHBondContact O-N 3.22Å; A280-I283 PolarHBondContact O-N 3.34Å; E281-I283 VanDerWaalsContact C-N 3.27Å; E281-I283 PolarHBondContact O-N 3.47Å; I283-W286 HydrophobicContact CG1-CE3 4.38Å; I283-W286 HydrophobicContact CG1-CZ3 4.36Å; I283-T287 VanDerWaalsContact O-CB 3.26Å; I283-T287 WeakPolarHBondContact O-CB 3.41Å; I283-T287 PolarHBondContact O-N 2.85Å; I283-T287 PolarHBondContact O-OG1 3.37Å; I283-L304 HydrophobicContact CB-CD1 3.91Å; I283-L304 HydrophobicContact CG2-CD1 3.59Å; I283-V347 HydrophobicContact CD1-CB 3.95Å; I283-V347 HydrophobicContact CD1-CG2 3.41Å; I283-V347 VanDerWaalsContact CD1-CG2 3.41Å |
| 284 | V | 91.4 | Very high | 85.5 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 166.9 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | A280 E281 T287 L288 P299 L304 I366 | A280-V284 WeakPolarHBondContact O-CG2 3.2Å; A280-V284 PolarHBondContact O-N 3.43Å; E281-V284 PolarHBondContact O-N 3.46Å; V284-T287 WeakPolarHBondContact O-CB 3.41Å; V284-T287 PolarHBondContact O-N 3.42Å; V284-T287 VanDerWaalsContact O-N 3.11Å; V284-L288 HydrophobicContact CG1-CD1 3.83Å; V284-L288 HydrophobicContact CG1-CG 4.41Å; V284-L288 WeakPolarHBondContact O-CG 3.37Å; V284-L288 PolarHBondContact O-N 2.86Å; V284-P299 HydrophobicContact CG1-CB 4.3Å; V284-L304 HydrophobicContact CG2-CD2 3.87Å; V284-L304 HydrophobicContact CG2-CG 3.78Å; V284-I366 HydrophobicContact CB-CD1 4.48Å; V284-I366 HydrophobicContact CG1-CD1 4.13Å; V284-I366 HydrophobicContact CG2-CD1 4.25Å |
| 285 | L | 89.4 | Confident | 85.1 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.2 | -56.2 | 178.7 | -156.8 | 85.1 | 0 | 0 | 0 | 111.5 | E281 Q282 T287 L288 E289 I294 P299 | E281-L285 PolarHBondContact O-N 2.97Å; Q282-L285 VanDerWaalsContact O-CB 3.27Å; Q282-L285 WeakPolarHBondContact O-CB 3.49Å; Q282-L285 PolarHBondContact O-N 2.69Å; L285-T287 PolarHBondContact O-N 2.94Å; L285-L288 PolarHBondContact O-N 3.49Å; L285-E289 WeakPolarHBondContact O-CB 3.37Å; L285-E289 PolarHBondContact O-N 3.38Å; L285-I294 HydrophobicContact CD1-CD1 3.73Å; L285-I294 HydrophobicContact CG-CD1 3.93Å; L285-P299 HydrophobicContact CD1-CB 4.06Å; L285-P299 HydrophobicContact CD1-CG 3.65Å |
| 286 | W | 89.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -24.7 | 177.5 | -60.3 | -31 | 0 | 0 | 0 | 113.4 | L272 D278 Q282 I283 K290 | L272-W286 HydrophobicContact CD1-CB 3.8Å; L272-W286 HydrophobicContact CD1-CE3 4.47Å; L272-W286 HydrophobicContact CD2-CB 4.12Å; D278-W286 HydrophobicContact CB-CH2 4.39Å; D278-W286 HydrophobicContact CB-CZ3 4.26Å; D278-W286 VanDerWaalsContact OD2-CZ3 3.3Å; D278-W286 WeakPolarHBondContact OD2-CZ3 3.33Å; Q282-W286 PolarHBondContact O-N 3.35Å; I283-W286 HydrophobicContact CG1-CE3 4.38Å; I283-W286 HydrophobicContact CG1-CZ3 4.36Å; W286-K290 WeakPolarHBondContact O-CB 3.31Å; W286-K290 WeakPolarHBondContact O-CG 3.39Å; W286-K290 PolarHBondContact O-N 2.88Å |
| 287 | T | 90.7 | Very high | 85 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.2 | -50.8 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | I258 L263 I270 I283 V284 L285 E289 K290 Y291 I366 | I258-T287 HydrophobicContact CG2-CG2 4.24Å; L263-T287 HydrophobicContact CD1-CG2 4.4Å; I270-T287 HydrophobicContact CD1-CG2 3.74Å; I270-T287 HydrophobicContact CG1-CG2 4.43Å; I283-T287 VanDerWaalsContact O-CB 3.26Å; I283-T287 WeakPolarHBondContact O-CB 3.41Å; I283-T287 PolarHBondContact O-N 2.85Å; I283-T287 PolarHBondContact O-OG1 3.37Å; V284-T287 WeakPolarHBondContact O-CB 3.41Å; V284-T287 PolarHBondContact O-N 3.42Å; V284-T287 VanDerWaalsContact O-N 3.11Å; L285-T287 PolarHBondContact O-N 2.94Å; T287-E289 VanDerWaalsContact C-N 3.3Å; T287-E289 PolarHBondContact O-N 3.41Å; T287-K290 PolarHBondContact O-N 3.47Å; T287-Y291 HydrophobicContact CG2-CD2 3.89Å; T287-Y291 HydrophobicContact CG2-CE2 3.87Å; T287-Y291 WeakPolarHBondContact O-CD2 3.12Å; T287-Y291 PolarHBondContact O-N 2.93Å; T287-I366 HydrophobicContact CG2-CB 4.26Å; T287-I366 HydrophobicContact CG2-CD1 3.65Å; T287-I366 HydrophobicContact CG2-CG2 3.83Å |
| 288 | L | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 176.7 | -65.7 | 169.7 | 0 | 0 | 0 | 111.7 | L263 V284 L285 Y291 N292 L293 I294 P299 Y302 I366 | L263-L288 HydrophobicContact CD1-CD2 3.97Å; L263-L288 HydrophobicContact CD2-CD2 4.44Å; V284-L288 HydrophobicContact CG1-CD1 3.83Å; V284-L288 HydrophobicContact CG1-CG 4.41Å; V284-L288 WeakPolarHBondContact O-CG 3.37Å; V284-L288 PolarHBondContact O-N 2.86Å; L285-L288 PolarHBondContact O-N 3.49Å; L288-Y291 CarbonylContact O-C 3.56Å; L288-Y291 PolarHBondContact O-N 3.5Å; L288-N292 PolarHBondContact O-N 2.55Å; L288-N292 VanDerWaalsContact O-N 3.15Å; L288-L293 HydrophobicContact CB-CB 4.38Å; L288-L293 HydrophobicContact CD2-CB 4.06Å; L288-L293 HydrophobicContact CD2-CD1 4.15Å; L288-L293 PolarHBondContact O-N 3.44Å; L288-I294 HydrophobicContact CB-CD1 4.13Å; L288-I294 PolarHBondContact O-N 3.42Å; L288-P299 HydrophobicContact CD1-CB 4.07Å; L288-P299 HydrophobicContact CD1-CG 4.27Å; L288-Y302 HydrophobicContact CD1-CD2 3.71Å; L288-Y302 HydrophobicContact CD1-CE2 4.21Å; L288-Y302 HydrophobicContact CD1-CG 4.37Å; L288-Y302 HydrophobicContact CD2-CD2 4.01Å; L288-Y302 HydrophobicContact CD2-CE2 3.94Å; L288-Y302 HydrophobicContact CD2-CG 4.41Å; L288-Y302 HydrophobicContact CG-CD2 4.46Å; L288-I366 HydrophobicContact CD2-CD1 4.39Å; L288-I366 HydrophobicContact CG-CD1 4.34Å |
| 289 | E | 83.3 | Confident | 85.2 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -51.1 | 170.5 | -172.4 | -170.8 | -176.8 | 0 | 0 | 111.4 | L285 T287 Y291 N292 | L285-E289 WeakPolarHBondContact O-CB 3.37Å; L285-E289 PolarHBondContact O-N 3.38Å; T287-E289 VanDerWaalsContact C-N 3.3Å; T287-E289 PolarHBondContact O-N 3.41Å; E289-Y291 PolarHBondContact O-N 3.41Å; E289-N292 WeakPolarHBondContact O-CA 3.19Å; E289-N292 PolarHBondContact O-N 3.48Å; E289-N292 PolarHBondContact O-OD1 2.81Å |
| 290 | K | 86 | Confident | 84.8 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.2 | -19.9 | 178.1 | -78.7 | -159.4 | -178.6 | -175 | 0 | 114.9 | I270 L271 L272 W286 T287 N292 | I270-K290 HydrophobicContact CB-CD 4.48Å; I270-K290 HydrophobicContact CD1-CB 3.95Å; I270-K290 HydrophobicContact CD1-CD 4.2Å; I270-K290 HydrophobicContact CG2-CB 4.28Å; L271-K290 PolarHBondContact O-NZ 3.26Å; L272-K290 HydrophobicContact CD2-CD 3.67Å; L272-K290 VanDerWaalsContact CD2-CE 3.46Å; L272-K290 HydrophobicContact CD2-CG 4.32Å; W286-K290 WeakPolarHBondContact O-CB 3.31Å; W286-K290 WeakPolarHBondContact O-CG 3.39Å; W286-K290 PolarHBondContact O-N 2.88Å; T287-K290 PolarHBondContact O-N 3.47Å; K290-N292 VanDerWaalsContact C-N 3.35Å |
| 291 | Y | 87.4 | Confident | 84.6 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.3 | 169.3 | -77.1 | -68.4 | 0 | 0 | 0 | 113.2 | G260 L263 N264 I267 I270 T287 L288 E289 L293 | G260-Y291 VanDerWaalsContact CA-OH 3.28Å; G260-Y291 WeakPolarHBondContact CA-OH 3.13Å; G260-Y291 PolarHBondContact N-OH 3.47Å; L263-Y291 HydrophobicContact CD1-CD2 3.64Å; L263-Y291 HydrophobicContact CD1-CE2 3.96Å; L263-Y291 HydrophobicContact CD1-CG 4.3Å; N264-Y291 HydrophobicContact CB-CD1 3.85Å; N264-Y291 HydrophobicContact CB-CE1 3.85Å; I267-Y291 HydrophobicContact CB-CE1 4.03Å; I267-Y291 HydrophobicContact CG2-CE1 4.18Å; I267-Y291 VanDerWaalsContact O-CE1 3.28Å; I267-Y291 WeakPolarHBondContact O-CE1 3.42Å; I267-Y291 PolarHBondContact O-OH 3.07Å; I270-Y291 HydrophobicContact CD1-CE2 4.41Å; I270-Y291 HydrophobicContact CG1-CE2 4.3Å; I270-Y291 HydrophobicContact CG2-CD2 4.46Å; I270-Y291 HydrophobicContact CG2-CE1 4.28Å; I270-Y291 HydrophobicContact CG2-CE2 3.88Å; T287-Y291 HydrophobicContact CG2-CD2 3.89Å; T287-Y291 HydrophobicContact CG2-CE2 3.87Å; T287-Y291 WeakPolarHBondContact O-CD2 3.12Å; T287-Y291 PolarHBondContact O-N 2.93Å; L288-Y291 CarbonylContact O-C 3.56Å; L288-Y291 PolarHBondContact O-N 3.5Å; E289-Y291 PolarHBondContact O-N 3.41Å; Y291-L293 PolarHBondContact O-N 2.98Å |
| 292 | N | 80.9 | Confident | 84.7 | Confident | 131 Ų | 131 | 63.9 Ų | 63.9 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 31.5 | -172.6 | -64.4 | -16.5 | 0 | 0 | 0 | 113.8 | L288 E289 K290 | L288-N292 PolarHBondContact O-N 2.55Å; L288-N292 VanDerWaalsContact O-N 3.15Å; E289-N292 WeakPolarHBondContact O-CA 3.19Å; E289-N292 PolarHBondContact O-N 3.48Å; E289-N292 PolarHBondContact O-OD1 2.81Å; K290-N292 VanDerWaalsContact C-N 3.35Å |
| 293 | L | 83.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | trans | -99.2 | -11.4 | 180 | -67.5 | 175.5 | 0 | 0 | 0 | 113.7 | L263 L288 Y291 S295 H296 V297 | L263-L293 HydrophobicContact CB-CD1 4.02Å; L263-L293 HydrophobicContact CD1-CD1 4.29Å; L263-L293 HydrophobicContact CD2-CD1 4.24Å; L263-L293 HydrophobicContact CG-CD1 4.43Å; L288-L293 HydrophobicContact CB-CB 4.38Å; L288-L293 HydrophobicContact CD2-CB 4.06Å; L288-L293 HydrophobicContact CD2-CD1 4.15Å; L288-L293 PolarHBondContact O-N 3.44Å; Y291-L293 PolarHBondContact O-N 2.98Å; L293-S295 PolarHBondContact O-N 2.87Å; L293-S295 VanDerWaalsContact O-N 3.08Å; L293-H296 PolarHBondContact O-N 3.24Å; L293-V297 PolarHBondContact O-N 3.23Å | ||
| 294 | I | 80.2 | Confident | 84.9 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 36% | 0.359 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23 | -174.3 | -160.1 | 69.2 | 0 | 0 | 0 | 114.3 | L285 L288 P299 | L285-I294 HydrophobicContact CD1-CD1 3.73Å; L285-I294 HydrophobicContact CG-CD1 3.93Å; L288-I294 HydrophobicContact CB-CD1 4.13Å; L288-I294 PolarHBondContact O-N 3.42Å; I294-P299 HydrophobicContact CD1-CG 3.77Å |
| 295 | S | 74.7 | Confident | 84.7 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2 | 176 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | L293 | L293-S295 PolarHBondContact O-N 2.87Å; L293-S295 VanDerWaalsContact O-N 3.08Å |
| 296 | H | 74.3 | Confident | 84.6 | Confident | 148 Ų | 148 | 56.5 Ų | 56.5 | 69% | 0.685 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | -13.6 | -166.2 | -64.5 | -34.5 | 0 | 0 | 0 | 115 | L293 | L293-H296 PolarHBondContact O-N 3.24Š|
| 297 | V | 80.4 | Confident | 84.5 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -145.4 | 146.7 | 176.3 | -151.3 | 0 | 0 | 0 | 0 | 109.6 | L293 P299 Y302 | L293-V297 PolarHBondContact O-N 3.23Å; V297-P299 WeakPolarHBondContact O-CD 3.43Å; V297-Y302 HydrophobicContact CB-CE2 3.94Å; V297-Y302 HydrophobicContact CG1-CE2 3.63Å |
| 298 | D | 80.7 | Confident | 84.1 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | trans | -68.7 | 127.2 | 174 | -169.6 | -26.3 | 0 | 0 | 0 | 109.6 | R300 D301 | D298-R300 PolarHBondContact O-N 2.89Å; D298-R300 VanDerWaalsContact O-N 3.13Å; D298-R300 VanDerWaalsContact OD1-CB 3.24Å; D298-R300 WeakPolarHBondContact OD1-CB 3.46Å; D298-R300 VanDerWaalsContact OD1-CG 3.27Å; D298-R300 WeakPolarHBondContact OD1-CG 3.5Å; D298-R300 PolarHBondContact OD1-N 3.46Å; D298-D301 PolarHBondContact O-N 3.22Å | ||
| 299 | P | 83.7 | Confident | 83.6 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -51.7 | -29.9 | 171.1 | -28.1 | 36.3 | 0 | 0 | 0 | 114.2 | V284 L285 L288 I294 V297 D301 Y302 | V284-P299 HydrophobicContact CG1-CB 4.3Å; L285-P299 HydrophobicContact CD1-CB 4.06Å; L285-P299 HydrophobicContact CD1-CG 3.65Å; L288-P299 HydrophobicContact CD1-CB 4.07Å; L288-P299 HydrophobicContact CD1-CG 4.27Å; I294-P299 HydrophobicContact CD1-CG 3.77Å; V297-P299 WeakPolarHBondContact O-CD 3.43Å; P299-D301 PolarHBondContact O-N 3.07Å; P299-Y302 PolarHBondContact O-N 3.28Å; P299-Y302 VanDerWaalsContact O-N 3.1Å |
| 300 | R | 81.4 | Confident | 82.8 | Confident | 168 Ų | 168 | 53.9 Ų | 53.9 | 63% | 0.634 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -68.7 | -16.9 | 178.7 | -63.3 | 167.2 | 170.5 | 176.2 | -2.7 | 113.9 | D298 Y302 R369 | D298-R300 PolarHBondContact O-N 2.89Å; D298-R300 VanDerWaalsContact O-N 3.13Å; D298-R300 VanDerWaalsContact OD1-CB 3.24Å; D298-R300 WeakPolarHBondContact OD1-CB 3.46Å; D298-R300 VanDerWaalsContact OD1-CG 3.27Å; D298-R300 WeakPolarHBondContact OD1-CG 3.5Å; D298-R300 PolarHBondContact OD1-N 3.46Å; R300-Y302 PolarHBondContact O-N 3.44Å; R300-R369 WeakPolarHBondContact O-CD 3.33Å; R300-R369 PolarHBondContact O-NE 3.23Å |
| 301 | D | 84.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -77 | -4 | 172.3 | -72.9 | -38.8 | 0 | 0 | 0 | 112.4 | D298 P299 H368 R369 | D298-D301 PolarHBondContact O-N 3.22Å; P299-D301 PolarHBondContact O-N 3.07Å; D301-H368 CarbonylContact O-C 3.56Å; D301-H368 VanDerWaalsContact O-CA 3.31Å; D301-H368 WeakPolarHBondContact O-CA 3.33Å; D301-H368 PolarHBondContact O-CD2 3.4Å; D301-H368 VanDerWaalsContact O-CD2 3.27Å; D301-R369 PolarHBondContact O-N 2.81Å |
| 302 | Y | 90.1 | Very high | 79.4 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 164 | -179.6 | -63.6 | -84.4 | 0 | 0 | 0 | 113.4 | L263 L288 V297 P299 R300 I366 R367 H368 R369 | L263-Y302 HydrophobicContact CD2-CD1 4.04Å; L263-Y302 HydrophobicContact CD2-CE1 3.33Å; L288-Y302 HydrophobicContact CD1-CD2 3.71Å; L288-Y302 HydrophobicContact CD1-CE2 4.21Å; L288-Y302 HydrophobicContact CD1-CG 4.37Å; L288-Y302 HydrophobicContact CD2-CD2 4.01Å; L288-Y302 HydrophobicContact CD2-CE2 3.94Å; L288-Y302 HydrophobicContact CD2-CG 4.41Å; L288-Y302 HydrophobicContact CG-CD2 4.46Å; V297-Y302 HydrophobicContact CB-CE2 3.94Å; V297-Y302 HydrophobicContact CG1-CE2 3.63Å; P299-Y302 PolarHBondContact O-N 3.28Å; P299-Y302 VanDerWaalsContact O-N 3.1Å; R300-Y302 PolarHBondContact O-N 3.44Å; Y302-I366 HydrophobicContact CD1-CD1 4.49Å; Y302-I366 HydrophobicContact CD1-CG1 4.21Å; Y302-I366 HydrophobicContact CG-CD1 4.43Å; Y302-R367 CarbonylContact C-O 3.58Å; Y302-R367 WeakPolarHBondContact CA-O 3.45Å; Y302-H368 HydrophobicContact CD1-CB 4.17Å; Y302-H368 HydrophobicContact CE1-CB 3.95Å; Y302-H368 AromaticContact CE1-CD2 3.88Å; Y302-H368 AromaticContact CZ-CD2 3.89Å; Y302-R369 PolarHBondContact O-NE 3.33Å |
| 303 | C | 88.7 | Confident | 77.3 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 161.5 | 175.1 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | T340 R367 R369 | C303-T340 HydrophobicContact CB-CG2 4.02Å; C303-R367 PolarHBondContact N-O 2.77Å; C303-R367 PolarHBondContact O-N 2.85Å; C303-R367 PolarHBondContact SG-O 3.11Å; C303-R367 VanDerWaalsContact SG-O 3.4Å; C303-R369 HydrophobicContact CB-CG 3.99Å |
| 304 | L | 92.2 | Very high | 74.7 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.6 | 170.7 | -61.3 | -179.9 | 0 | 0 | 0 | 110.2 | I258 A280 I283 V284 L341 V347 I364 Q365 I366 | I258-L304 HydrophobicContact CG2-CD2 4.3Å; A280-L304 HydrophobicContact CB-CD1 4.02Å; I283-L304 HydrophobicContact CB-CD1 3.91Å; I283-L304 HydrophobicContact CG2-CD1 3.59Å; V284-L304 HydrophobicContact CG2-CD2 3.87Å; V284-L304 HydrophobicContact CG2-CG 3.78Å; L304-L341 HydrophobicContact CB-CB 4.46Å; L304-L341 HydrophobicContact CB-CD1 4.15Å; L304-L341 PolarHBondContact O-N 3.12Å; L304-V347 HydrophobicContact CD1-CG2 3.75Å; L304-I364 HydrophobicContact CD2-CG2 4.5Å; L304-Q365 WeakPolarHBondContact CA-O 3.3Å; L304-I366 HydrophobicContact CD2-CB 4.13Å; L304-I366 HydrophobicContact CD2-CG1 4.47Å |
| 305 | V | 88.4 | Confident | 72.2 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.7 | -179.8 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | V307 E338 I339 Q365 R367 | V305-V307 HydrophobicContact CG1-CG2 4.43Å; V305-E338 HydrophobicContact CG1-CG 3.29Å; V305-I339 CarbonylContact C-O 3.57Å; V305-I339 WeakPolarHBondContact CA-O 3.37Å; V305-Q365 PolarHBondContact N-O 2.89Å; V305-Q365 PolarHBondContact O-N 2.91Å; V305-R367 HydrophobicContact CG2-CB 4.27Å; V305-R367 HydrophobicContact CG2-CG 4.23Å |
| 306 | M | 87.4 | Confident | 70 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 109 | 176.2 | -165.4 | 177.6 | -61.5 | 0 | 0 | 109.5 | I339 L341 V347 F350 R351 I354 N362 I363 I364 | M306-I339 PolarHBondContact N-O 3.43Å; M306-I339 PolarHBondContact O-N 3.04Å; M306-L341 HydrophobicContact CB-CD2 4.34Å; M306-L341 HydrophobicContact CB-CG 4.43Å; M306-L341 HydrophobicContact CE-CD1 3.9Å; M306-L341 HydrophobicContact CE-CD2 4.17Å; M306-V347 HydrophobicContact CE-CG1 4.11Å; M306-F350 HydrophobicContact CE-CB 4.43Å; M306-F350 HydrophobicContact CE-CD1 4.36Å; M306-F350 HydrophobicContact SD-CD1 4.47Å; M306-R351 HydrophobicContact CE-CB 4.11Å; M306-I354 HydrophobicContact SD-CD1 3.7Å; M306-N362 HydrophobicContact CG-CB 3.83Å; M306-N362 HydrophobicContact SD-CB 3.82Å; M306-N362 PolarHBondContact SD-ND2 3.13Å; M306-I363 CarbonylContact C-O 3.59Å; M306-I363 WeakPolarHBondContact CA-O 3.33Å; M306-I364 HydrophobicContact CE-CD1 4.31Å; M306-I364 HydrophobicContact CE-CG1 4.16Å; M306-I364 HydrophobicContact CG-CG1 4.19Å |
| 307 | V | 85.6 | Confident | 67.7 | Low | 18 Ų | 18 | 62.3 Ų | 62.3 | 11% | 0.109 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.1 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | V305 L309 E338 N362 I363 Q365 | V305-V307 HydrophobicContact CG1-CG2 4.43Å; V307-L309 HydrophobicContact CG1-CD2 4.28Å; V307-L309 HydrophobicContact CG1-CG 4.5Å; V307-E338 HydrophobicContact CG2-CG 4.14Å; V307-N362 CarbonylContact O-C 3.5Å; V307-N362 WeakPolarHBondContact O-CA 3.18Å; V307-I363 HydrophobicContact CB-CB 4.44Å; V307-I363 PolarHBondContact N-O 3.47Å; V307-I363 PolarHBondContact O-N 2.95Å; V307-Q365 HydrophobicContact CG2-CG 4.37Å |
| 308 | N | 83.4 | Confident | 64.9 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.5 | -178.8 | -62.4 | -36.2 | 0 | 0 | 0 | 110.3 | L331 V335 E336 K337 I339 V360 N362 | N308-L331 HydrophobicContact CB-CD1 4.41Å; N308-L331 HydrophobicContact CB-CD2 4.41Å; N308-V335 HydrophobicContact CB-CG1 4.16Å; N308-E336 WeakPolarHBondContact CB-O 3.45Å; N308-E336 PolarHBondContact ND2-O 2.97Å; N308-K337 PolarHBondContact N-O 3.07Å; N308-I339 WeakPolarHBondContact ND2-CD1 3.42Å; N308-V360 HydrophobicContact CB-CG1 3.9Å; N308-N362 VanDerWaalsContact OD1-CG 3.26Å; N308-N362 PolarHBondContact OD1-ND2 3.39Å |
| 309 | L | 78.2 | Confident | 62.3 | Low | 65 Ų | 65 | 64.5 Ų | 64.5 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.6 | -174.2 | -61.8 | 175 | 0 | 0 | 0 | 110.1 | V307 S361 I363 | V307-L309 HydrophobicContact CG1-CD2 4.28Å; V307-L309 HydrophobicContact CG1-CG 4.5Å; L309-S361 PolarHBondContact N-O 3.09Å; L309-S361 PolarHBondContact O-N 3.4Å; L309-S361 PolarHBondContact O-OG 2.91Å; L309-I363 HydrophobicContact CD1-CD1 3.59Å; L309-I363 HydrophobicContact CD1-CG1 4.08Å |
| 310 | P | 66.9 | Low | 59.3 | Low | 53 Ų | 53 | 68.1 Ų | 68.1 | 34% | 0.344 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 138.4 | 175.8 | 28.1 | -34 | 0 | 0 | 0 | 111.2 | R312 G359 | P310-R312 PolarHBondContact O-N 2.71Å; P310-R312 VanDerWaalsContact O-N 3.13Å; P310-G359 WeakPolarHBondContact CA-O 3.46Å |
| 311 | L | 57.6 | Low | 56.6 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | trans | -76.7 | 95.3 | 175.6 | -83.2 | 166.6 | 0 | 0 | 0 | 110.6 | G313 G359 | L311-G313 PolarHBondContact O-N 2.83Å; L311-G359 PolarHBondContact N-O 2.56Å | ||
| 312 | R | 44.7 | Very low | 53.8 | Low | 202 Ų | 202 | 72.3 Ų | 72.3 | 76% | 0.762 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 107.1 | 173.1 | -171.7 | 177.7 | -174 | -113.4 | 2.8 | 110.4 | P310 | P310-R312 PolarHBondContact O-N 2.71Å; P310-R312 VanDerWaalsContact O-N 3.13Å |
| 313 | G | 35.6 | Very low | 50.7 | Low | 80 Ų | 80 | 77 Ų | 77 | 83% | 0.825 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.3 | 7.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | L311 A315 | L311-G313 PolarHBondContact O-N 2.83Å; G313-A315 PolarHBondContact O-N 3.27Å |
| 314 | G | 29.5 | Very low | 47.7 | Very low | 71 Ų | 71 | 80.5 Ų | 80.5 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | trans | -80.1 | 110 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G316 | G314-G316 PolarHBondContact O-N 3.33Š| ||
| 315 | A | 28.5 | Very low | 44.4 | Very low | 100 Ų | 100 | 89.4 Ų | 89.4 | 83% | 0.826 | 61% | 0.605 | S | S | * | * | trans | -71 | 117.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G313 V317 | G313-A315 PolarHBondContact O-N 3.27Å; A315-V317 PolarHBondContact O-N 2.97Å | ||
| 316 | G | 28.8 | Very low | 41.4 | Very low | 83 Ų | 83 | 95.3 Ų | 95.3 | 86% | 0.856 | 64% | 0.636 | S | S | * | * | trans | -81.5 | 115.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G314 | G314-G316 PolarHBondContact O-N 3.33Š| ||
| 317 | V | 25.3 | Very low | 38.7 | Very low | 144 Ų | 144 | 99.4 Ų | 99.4 | 87% | 0.873 | 68% | 0.678 | S | S | * | * | trans | -95 | 127.7 | 170.8 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | A315 | A315-V317 PolarHBondContact O-N 2.97Š| ||
| 318 | G | 22.2 | Very low | 36.2 | Very low | 82 Ų | 82 | 103.8 Ų | 103.8 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | trans | 78.5 | 96.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 319 | G | 25.2 | Very low | 34.4 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -176.5 | 92.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 320 | S | 21.6 | Very low | 33 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 122.9 | -176.1 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 321 | N | 24 | Very low | 32.7 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 171.4 | 139.6 | 119.2 | -84.2 | -19.7 | 0 | 0 | 0 | 114.2 | |||||
| 322 | H | 25.9 | Very low | 33.1 | Very low | 168 Ų | 168 | 114.5 Ų | 114.5 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | 42.5 | 111.8 | 157.5 | -66.1 | -75.8 | 0 | 0 | 0 | 122.1 | ||||
| 323 | S | 25 | Very low | 33.7 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 56.1 | 115.2 | 139.2 | 61.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 324 | G | 25.9 | Very low | 34.9 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 126.7 | 93.6 | 152 | 0 | 0 | 0 | 0 | 0 | 115.2 | N326 | G324-N326 PolarHBondContact O-N 2.87Š| ||
| 325 | M | 22.4 | Very low | 36.9 | Very low | 189 Ų | 189 | 112.5 Ų | 112.5 | 93% | 0.931 | 72% | 0.724 | S | S | * | * | trans | -69.6 | 111.3 | 170.9 | -59.9 | -170.6 | 83.9 | 0 | 0 | 110.6 | ||||
| 326 | N | 26.3 | Very low | 38.9 | Very low | 124 Ų | 124 | 113 Ų | 113 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | -179.2 | 64.2 | 155.2 | -99 | -70.4 | 0 | 0 | 0 | 110.3 | G324 V328 K561 | G324-N326 PolarHBondContact O-N 2.87Å; N326-V328 PolarHBondContact O-N 3.46Å; N326-K561 PolarHBondContact ND2-NZ 2.87Å | ||
| 327 | G | 29.3 | Very low | 41.2 | Very low | 86 Ų | 86 | 116.4 Ų | 116.4 | 89% | 0.887 | 70% | 0.701 | S | S | * | * | trans | -80.9 | 102.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 328 | V | 34.9 | Very low | 43.8 | Very low | 111 Ų | 111 | 111.7 Ų | 111.7 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | trans | -80.5 | 133.6 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | N326 R330 | N326-V328 PolarHBondContact O-N 3.46Å; V328-R330 PolarHBondContact O-N 3.29Å | ||
| 329 | E | 45 | Very low | 46.6 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | trans | -50.8 | 109.1 | 176.9 | -63.9 | -179.9 | 148.7 | 0 | 0 | 111.9 | ||||
| 330 | R | 49.2 | Very low | 49.3 | Very low | 213 Ų | 213 | 107.7 Ų | 107.7 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | -138.6 | 146.6 | 175.6 | -72.2 | -177.4 | 173.2 | 179.3 | -2.4 | 109.8 | V328 | V328-R330 PolarHBondContact O-N 3.29Š| ||
| 331 | L | 60.8 | Low | 52.3 | Low | 41 Ų | 41 | 102.7 Ų | 102.7 | 22% | 0.215 | 58% | 0.576 | C | S | . | * | trans | -64.9 | 151.3 | 167.9 | -71.6 | 168.3 | 0 | 0 | 0 | 110 | N308 K337 V360 | N308-L331 HydrophobicContact CB-CD1 4.41Å; N308-L331 HydrophobicContact CB-CD2 4.41Å; L331-K337 HydrophobicContact CD1-CB 4.01Å; L331-K337 HydrophobicContact CD1-CG 4.38Å; L331-V360 HydrophobicContact CD2-CG1 4.17Å | ||
| 332 | P | 65.3 | Low | 55.1 | Low | 48 Ų | 48 | 101 Ų | 101 | 31% | 0.312 | 56% | 0.563 | S | S | . | * | trans | -53.4 | 140 | 174 | -26.1 | 35.2 | 0 | 0 | 0 | 112 | G334 V335 V360 | P332-G334 PolarHBondContact O-N 3.43Å; P332-V335 HydrophobicContact CB-CG2 4.1Å; P332-V335 HydrophobicContact CG-CG2 4.48Å; P332-V335 PolarHBondContact O-N 3.03Å; P332-V360 HydrophobicContact CG-CG2 3.81Å | ||
| 333 | Q | 57.1 | Low | 57.8 | Low | 209 Ų | 209 | 94.5 Ų | 94.5 | 98% | 0.977 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 109.5 | -172.8 | -169.8 | 168.6 | -3.5 | 0 | 0 | 110.6 | ||
| 334 | G | 61.6 | Low | 60.4 | Low | 80 Ų | 80 | 96.5 Ų | 96.5 | 83% | 0.825 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.3 | -13.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P332 | P332-G334 PolarHBondContact O-N 3.43Š|
| 335 | V | 70.5 | Confident | 63.2 | Low | 23 Ų | 23 | 95 Ų | 95 | 14% | 0.139 | 50% | 0.501 | C | S | . | . | trans | -88.4 | 112.4 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 110 | N308 P332 V360 | N308-V335 HydrophobicContact CB-CG1 4.16Å; P332-V335 HydrophobicContact CB-CG2 4.1Å; P332-V335 HydrophobicContact CG-CG2 4.48Å; P332-V335 PolarHBondContact O-N 3.03Å; V335-V360 HydrophobicContact CG1-CG1 4.35Å | ||
| 336 | E | 70.8 | Confident | 66.1 | Low | 109 Ų | 109 | 86.6 Ų | 86.6 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | trans | -65.9 | 144.7 | 174 | -66.4 | -161.9 | 120.8 | 0 | 0 | 111.9 | N308 E338 I339 | N308-E336 WeakPolarHBondContact CB-O 3.45Å; N308-E336 PolarHBondContact ND2-O 2.97Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3.46Å; E336-I339 HydrophobicContact CB-CD1 4.39Å; E336-I339 HydrophobicContact CB-CG1 3.87Å | ||
| 337 | K | 77.8 | Confident | 68.8 | Low | 155 Ų | 155 | 80.7 Ų | 80.7 | 67% | 0.674 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -68.5 | -29.6 | -178.9 | -177.2 | 179 | 178.2 | -179.9 | 0 | 113.3 | N308 L331 | N308-K337 PolarHBondContact N-O 3.07Å; L331-K337 HydrophobicContact CD1-CB 4.01Å; L331-K337 HydrophobicContact CD1-CG 4.38Å |
| 338 | E | 78 | Confident | 71.3 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 118.9 | -177.8 | -173.5 | 167.9 | 111.8 | 0 | 0 | 108.2 | V305 V307 E336 R367 | V305-E338 HydrophobicContact CG1-CG 3.29Å; V307-E338 HydrophobicContact CG2-CG 4.14Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3.46Å; E338-R367 VanDerWaalsContact CD-NH2 3.3Å; E338-R367 IonicContact OE1-CZ 3.08Å; E338-R367 IonicContact OE1-NH1 2.72Å; E338-R367 PolarHBondContact OE1-NH1 3.09Å; E338-R367 IonicContact OE1-NH2 2.66Å; E338-R367 PolarHBondContact OE1-NH2 3.12Å; E338-R367 IonicContact OE2-CZ 2.75Å; E338-R367 IonicContact OE2-NH1 3.99Å; E338-R367 PolarHBondContact OE2-NH1 2.95Å; E338-R367 IonicContact OE2-NH2 3.66Å; E338-R367 PolarHBondContact OE2-NH2 3.39Å |
| 339 | I | 81.3 | Confident | 73.3 | Confident | 30 Ų | 30 | 77.7 Ų | 77.7 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125 | -177.4 | -59.8 | 174 | 0 | 0 | 0 | 108.2 | V305 M306 N308 E336 L341 F350 I354 | V305-I339 CarbonylContact C-O 3.57Å; V305-I339 WeakPolarHBondContact CA-O 3.37Å; M306-I339 PolarHBondContact N-O 3.43Å; M306-I339 PolarHBondContact O-N 3.04Å; N308-I339 WeakPolarHBondContact ND2-CD1 3.42Å; E336-I339 HydrophobicContact CB-CD1 4.39Å; E336-I339 HydrophobicContact CB-CG1 3.87Å; I339-L341 HydrophobicContact CG2-CD2 4.46Å; I339-F350 HydrophobicContact CD1-CE1 4.14Å; I339-F350 HydrophobicContact CG2-CE1 3.93Å; I339-F350 HydrophobicContact CG2-CZ 4.05Å; I339-I354 HydrophobicContact CD1-CD1 4.11Å |
| 340 | T | 83.6 | Confident | 74.8 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126 | 167.2 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | C303 P379 | C303-T340 HydrophobicContact CB-CG2 4.02Å; T340-P379 HydrophobicContact CG2-CB 4.27Å |
| 341 | L | 84.6 | Confident | 76.1 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 137.5 | 176.2 | -55.1 | 177.7 | 0 | 0 | 0 | 109.6 | A280 L304 M306 I339 D345 V347 F350 | A280-L341 HydrophobicContact CB-CB 4.35Å; L304-L341 HydrophobicContact CB-CB 4.46Å; L304-L341 HydrophobicContact CB-CD1 4.15Å; L304-L341 PolarHBondContact O-N 3.12Å; M306-L341 HydrophobicContact CB-CD2 4.34Å; M306-L341 HydrophobicContact CB-CG 4.43Å; M306-L341 HydrophobicContact CE-CD1 3.9Å; M306-L341 HydrophobicContact CE-CD2 4.17Å; I339-L341 HydrophobicContact CG2-CD2 4.46Å; L341-D345 HydrophobicContact CB-CB 4.45Å; L341-V347 HydrophobicContact CD1-CB 4.33Å; L341-V347 HydrophobicContact CD1-CG1 4.06Å; L341-V347 HydrophobicContact CD1-CG2 3.82Å; L341-F350 HydrophobicContact CD2-CB 4.35Å; L341-F350 HydrophobicContact CD2-CD1 3.58Å; L341-F350 HydrophobicContact CD2-CD2 4.23Å; L341-F350 HydrophobicContact CD2-CE1 3.83Å; L341-F350 HydrophobicContact CD2-CE2 4.45Å; L341-F350 HydrophobicContact CD2-CG 3.79Å; L341-F350 HydrophobicContact CD2-CZ 4.26Å |
| 342 | H | 81.9 | Confident | 76.5 | Confident | 100 Ų | 100 | 71 Ų | 71 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 152.4 | 174.8 | 178.4 | -104.4 | 0 | 0 | 0 | 110.4 | A280 K344 D345 | A280-H342 WeakPolarHBondContact CB-O 3.42Å; H342-K344 PolarHBondContact O-N 3.25Å; H342-D345 WeakPolarHBondContact CB-OD2 3.38Å; H342-D345 PolarHBondContact N-OD2 3.2Å; H342-D345 VanDerWaalsContact O-CB 3.31Å; H342-D345 WeakPolarHBondContact O-CB 3.39Å; H342-D345 PolarHBondContact O-N 3.45Å |
| 343 | D | 82.1 | Confident | 76.8 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -32.4 | -170.6 | -67.5 | -31 | 0 | 0 | 0 | 114.4 | T279 A280 E281 R369 | T279-D343 WeakPolarHBondContact CB-O 3.5Å; A280-D343 PolarHBondContact N-O 3.14Å; E281-D343 HydrophobicContact CB-CB 4.18Å; E281-D343 WeakPolarHBondContact CB-O 3.3Å; E281-D343 PolarHBondContact N-O 3.36Å; D343-R369 IonicContact OD1-CZ 2.67Å; D343-R369 IonicContact OD1-NH2 3.37Å; D343-R369 PolarHBondContact OD1-NH2 3.38Å; D343-R369 IonicContact OD2-CZ 3.47Å; D343-R369 IonicContact OD2-NH1 2.81Å; D343-R369 IonicContact OD2-NH2 3.57Å; D343-R369 PolarHBondContact OD2-NH2 3.5Å |
| 344 | K | 81 | Confident | 77.2 | Confident | 165 Ų | 165 | 64.5 Ų | 64.5 | 72% | 0.717 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.4 | -179.5 | -60.3 | -174.8 | 179.7 | -179.7 | 0 | 114.3 | H342 | H342-K344 PolarHBondContact O-N 3.25Š|
| 345 | D | 84.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | trans | -73 | 132.7 | -177.2 | -65.5 | -15.6 | 0 | 0 | 0 | 110.6 | T279 A280 L341 H342 V347 | T279-D345 CarbonylContact C-O 3.59Å; A280-D345 PolarHBondContact N-O 2.99Å; L341-D345 HydrophobicContact CB-CB 4.45Å; H342-D345 WeakPolarHBondContact CB-OD2 3.38Å; H342-D345 PolarHBondContact N-OD2 3.2Å; H342-D345 VanDerWaalsContact O-CB 3.31Å; H342-D345 WeakPolarHBondContact O-CB 3.39Å; H342-D345 PolarHBondContact O-N 3.45Å; D345-V347 PolarHBondContact O-N 2.92Å | ||
| 346 | C | 83.4 | Confident | 76.7 | Confident | 14 Ų | 14 | 71.6 Ų | 71.6 | 10% | 0.095 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 113.9 | 169 | 179.9 | 0 | 0 | 0 | 0 | 110 | T276 D278 L348 K349 F350 | T276-C346 PolarHBondContact O-SG 2.84Å; D278-C346 WeakPolarHBondContact O-CA 3.35Å; D278-C346 PolarHBondContact O-SG 3.25Å; C346-L348 PolarHBondContact O-N 3Å; C346-L348 VanDerWaalsContact O-N 3.16Å; C346-K349 HydrophobicContact CB-CB 4.14Å; C346-K349 HydrophobicContact CB-CD 3.97Å; C346-K349 HydrophobicContact CB-CG 4.02Å; C346-K349 PolarHBondContact O-N 3.07Å; C346-K349 VanDerWaalsContact O-N 3.1Å; C346-F350 PolarHBondContact O-N 3.35Å |
| 347 | V | 83.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.8 | -33 | -175 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | A280 I283 L304 M306 L341 D345 R351 I364 | A280-V347 HydrophobicContact CB-CG2 4.32Å; I283-V347 HydrophobicContact CD1-CB 3.95Å; I283-V347 HydrophobicContact CD1-CG2 3.41Å; I283-V347 VanDerWaalsContact CD1-CG2 3.41Å; L304-V347 HydrophobicContact CD1-CG2 3.75Å; M306-V347 HydrophobicContact CE-CG1 4.11Å; L341-V347 HydrophobicContact CD1-CB 4.33Å; L341-V347 HydrophobicContact CD1-CG1 4.06Å; L341-V347 HydrophobicContact CD1-CG2 3.82Å; D345-V347 PolarHBondContact O-N 2.92Å; V347-R351 VanDerWaalsContact O-CB 3.23Å; V347-R351 WeakPolarHBondContact O-CB 3.43Å; V347-R351 PolarHBondContact O-N 3.18Å; V347-R351 VanDerWaalsContact O-N 3.08Å; V347-I364 HydrophobicContact CG1-CD1 3.47Å; V347-I364 VanDerWaalsContact CG1-CD1 3.47Å; V347-I364 HydrophobicContact CG1-CG1 4.17Å |
| 348 | L | 82.1 | Confident | 74.6 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.4 | -45.8 | 175.4 | -67.4 | -167.1 | 0 | 0 | 0 | 112.8 | V256 I274 T276 C346 F350 R351 E352 | V256-L348 HydrophobicContact CG2-CD2 3.93Å; I274-L348 HydrophobicContact CG2-CG 4.16Å; I274-L348 WeakPolarHBondContact O-CD1 3.37Å; T276-L348 HydrophobicContact CG2-CD1 4.46Å; C346-L348 PolarHBondContact O-N 3Å; C346-L348 VanDerWaalsContact O-N 3.16Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-F350 PolarHBondContact O-N 3.09Å; L348-R351 PolarHBondContact O-N 3.34Å; L348-E352 WeakPolarHBondContact O-CB 3.48Å; L348-E352 PolarHBondContact O-N 3.41Å |
| 349 | K | 77 | Confident | 73.9 | Confident | 117 Ų | 117 | 67.3 Ų | 67.3 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 175.9 | -66.5 | 179.8 | -176.4 | 156.6 | 0 | 111.5 | T276 C346 E352 M353 | T276-K349 WeakPolarHBondContact O-CE 3.47Å; C346-K349 HydrophobicContact CB-CB 4.14Å; C346-K349 HydrophobicContact CB-CD 3.97Å; C346-K349 HydrophobicContact CB-CG 4.02Å; C346-K349 PolarHBondContact O-N 3.07Å; C346-K349 VanDerWaalsContact O-N 3.1Å; K349-E352 PolarHBondContact O-N 3.16Å; K349-M353 WeakPolarHBondContact O-CB 3.33Å; K349-M353 PolarHBondContact O-N 3.46Å |
| 350 | F | 75.5 | Confident | 73.4 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 178.5 | -149.1 | -82.9 | 0 | 0 | 0 | 112 | M306 I339 L341 C346 L348 M353 I354 | M306-F350 HydrophobicContact CE-CB 4.43Å; M306-F350 HydrophobicContact CE-CD1 4.36Å; M306-F350 HydrophobicContact SD-CD1 4.47Å; I339-F350 HydrophobicContact CD1-CE1 4.14Å; I339-F350 HydrophobicContact CG2-CE1 3.93Å; I339-F350 HydrophobicContact CG2-CZ 4.05Å; L341-F350 HydrophobicContact CD2-CB 4.35Å; L341-F350 HydrophobicContact CD2-CD1 3.58Å; L341-F350 HydrophobicContact CD2-CD2 4.23Å; L341-F350 HydrophobicContact CD2-CE1 3.83Å; L341-F350 HydrophobicContact CD2-CE2 4.45Å; L341-F350 HydrophobicContact CD2-CG 3.79Å; L341-F350 HydrophobicContact CD2-CZ 4.26Å; C346-F350 PolarHBondContact O-N 3.35Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-F350 PolarHBondContact O-N 3.09Å; F350-M353 HydrophobicContact CD1-CE 4.13Å; F350-M353 HydrophobicContact CD2-CE 3.96Å; F350-M353 HydrophobicContact CE1-CE 3.99Å; F350-M353 HydrophobicContact CE2-CE 3.81Å; F350-M353 HydrophobicContact CG-CE 4.12Å; F350-M353 HydrophobicContact CZ-CE 3.82Å; F350-I354 HydrophobicContact CD1-CD1 3.69Å; F350-I354 HydrophobicContact CD1-CG1 4.4Å; F350-I354 HydrophobicContact CE1-CD1 3.79Å; F350-I354 HydrophobicContact CE1-CG1 4.49Å; F350-I354 WeakPolarHBondContact O-CG1 3.34Å; F350-I354 PolarHBondContact O-N 3.35Å |
| 351 | R | 75.8 | Confident | 73.1 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 173.1 | 179.3 | 177.9 | 174.2 | -162.5 | -3.8 | 112.4 | M306 V347 L348 R355 | M306-R351 HydrophobicContact CE-CB 4.11Å; V347-R351 VanDerWaalsContact O-CB 3.23Å; V347-R351 WeakPolarHBondContact O-CB 3.43Å; V347-R351 PolarHBondContact O-N 3.18Å; V347-R351 VanDerWaalsContact O-N 3.08Å; L348-R351 PolarHBondContact O-N 3.34Å; R351-R355 WeakPolarHBondContact O-CB 3.47Å; R351-R355 VanDerWaalsContact O-CG 3.23Å; R351-R355 WeakPolarHBondContact O-CG 3.37Å; R351-R355 PolarHBondContact O-N 2.69Å |
| 352 | E | 70.7 | Confident | 72.9 | Confident | 137 Ų | 137 | 66.7 Ų | 66.7 | 64% | 0.64 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.2 | -43.7 | 177.7 | -168.9 | 153.7 | -123.9 | 0 | 0 | 111.3 | L348 K349 I354 R355 S356 | L348-E352 WeakPolarHBondContact O-CB 3.48Å; L348-E352 PolarHBondContact O-N 3.41Å; K349-E352 PolarHBondContact O-N 3.16Å; E352-I354 PolarHBondContact O-N 2.62Å; E352-R355 PolarHBondContact O-N 2.88Å; E352-S356 PolarHBondContact O-N 3.2Å; E352-S356 VanDerWaalsContact O-N 3.13Å |
| 353 | M | 70.5 | Confident | 73.1 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 53% | 0.527 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53.6 | -50.2 | 170 | -178.1 | -178.4 | 72.7 | 0 | 0 | 111.8 | K349 F350 R355 S356 | K349-M353 WeakPolarHBondContact O-CB 3.33Å; K349-M353 PolarHBondContact O-N 3.46Å; F350-M353 HydrophobicContact CD1-CE 4.13Å; F350-M353 HydrophobicContact CD2-CE 3.96Å; F350-M353 HydrophobicContact CE1-CE 3.99Å; F350-M353 HydrophobicContact CE2-CE 3.81Å; F350-M353 HydrophobicContact CG-CE 4.12Å; F350-M353 HydrophobicContact CZ-CE 3.82Å; M353-R355 PolarHBondContact O-N 3.13Å; M353-S356 WeakPolarHBondContact O-CB 3.49Å; M353-S356 PolarHBondContact O-N 3.17Å; M353-S356 PolarHBondContact O-OG 3.29Å |
| 354 | I | 65.2 | Low | 73.5 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 178.3 | -67.1 | 165.1 | 0 | 0 | 0 | 111.8 | M306 I339 F350 E352 S356 N357 V360 N362 | M306-I354 HydrophobicContact SD-CD1 3.7Å; I339-I354 HydrophobicContact CD1-CD1 4.11Å; F350-I354 HydrophobicContact CD1-CD1 3.69Å; F350-I354 HydrophobicContact CD1-CG1 4.4Å; F350-I354 HydrophobicContact CE1-CD1 3.79Å; F350-I354 HydrophobicContact CE1-CG1 4.49Å; F350-I354 WeakPolarHBondContact O-CG1 3.34Å; F350-I354 PolarHBondContact O-N 3.35Å; E352-I354 PolarHBondContact O-N 2.62Å; I354-S356 PolarHBondContact O-N 3.13Å; I354-N357 WeakPolarHBondContact O-CB 3.42Å; I354-N357 PolarHBondContact O-N 2.76Å; I354-N357 VanDerWaalsContact O-N 3.1Å; I354-V360 HydrophobicContact CG2-CB 4.19Å; I354-V360 HydrophobicContact CG2-CG1 3.87Å; I354-N362 VanDerWaalsContact CG2-ND2 3.33Å; I354-N362 WeakPolarHBondContact CG2-ND2 3.4Å |
| 355 | R | 64.2 | Low | 73.9 | Confident | 159 Ų | 159 | 58 Ų | 58 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.4 | -8.3 | 179.6 | -73.6 | -178 | 80.2 | -152.1 | 3.1 | 114.5 | R351 E352 M353 | R351-R355 WeakPolarHBondContact O-CB 3.47Å; R351-R355 VanDerWaalsContact O-CG 3.23Å; R351-R355 WeakPolarHBondContact O-CG 3.37Å; R351-R355 PolarHBondContact O-N 2.69Å; E352-R355 PolarHBondContact O-N 2.88Å; M353-R355 PolarHBondContact O-N 3.13Å |
| 356 | S | 57.1 | Low | 74.2 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -28.6 | 166 | 72.5 | 0 | 0 | 0 | 0 | 112.2 | E352 M353 I354 S358 | E352-S356 PolarHBondContact O-N 3.2Å; E352-S356 VanDerWaalsContact O-N 3.13Å; M353-S356 WeakPolarHBondContact O-CB 3.49Å; M353-S356 PolarHBondContact O-N 3.17Å; M353-S356 PolarHBondContact O-OG 3.29Å; I354-S356 PolarHBondContact O-N 3.13Å; S356-S358 PolarHBondContact O-N 3.46Å |
| 357 | N | 53.3 | Low | 74.2 | Confident | 76 Ų | 76 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.8 | 108 | 166 | -69.2 | -26.6 | 0 | 0 | 0 | 109.2 | I354 G359 V360 | I354-N357 WeakPolarHBondContact O-CB 3.42Å; I354-N357 PolarHBondContact O-N 2.76Å; I354-N357 VanDerWaalsContact O-N 3.1Å; N357-G359 PolarHBondContact O-N 2.81Å; N357-V360 HydrophobicContact CB-CG2 4.48Å |
| 358 | S | 52 | Low | 74.3 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 136.1 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | S356 | S356-S358 PolarHBondContact O-N 3.46Š|
| 359 | G | 63.2 | Low | 74 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 9.3 | 176 | 0 | 0 | 0 | 0 | 0 | 116.8 | P310 L311 N357 | P310-G359 WeakPolarHBondContact CA-O 3.46Å; L311-G359 PolarHBondContact N-O 2.56Å; N357-G359 PolarHBondContact O-N 2.81Å |
| 360 | V | 71.4 | Confident | 73.7 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.1 | 175.4 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | N308 L331 P332 V335 I354 N357 | N308-V360 HydrophobicContact CB-CG1 3.9Å; L331-V360 HydrophobicContact CD2-CG1 4.17Å; P332-V360 HydrophobicContact CG-CG2 3.81Å; V335-V360 HydrophobicContact CG1-CG1 4.35Å; I354-V360 HydrophobicContact CG2-CB 4.19Å; I354-V360 HydrophobicContact CG2-CG1 3.87Å; N357-V360 HydrophobicContact CB-CG2 4.48Å |
| 361 | S | 76.7 | Confident | 73.3 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | L309 | L309-S361 PolarHBondContact N-O 3.09Å; L309-S361 PolarHBondContact O-N 3.4Å; L309-S361 PolarHBondContact O-OG 2.91Å |
| 362 | N | 81 | Confident | 72.7 | Confident | 25 Ų | 25 | 63 Ų | 63 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.7 | -162.5 | -52.5 | 24.1 | 0 | 0 | 0 | 110.8 | M306 V307 N308 I354 | M306-N362 HydrophobicContact CG-CB 3.83Å; M306-N362 HydrophobicContact SD-CB 3.82Å; M306-N362 PolarHBondContact SD-ND2 3.13Å; V307-N362 CarbonylContact O-C 3.5Å; V307-N362 WeakPolarHBondContact O-CA 3.18Å; N308-N362 VanDerWaalsContact OD1-CG 3.26Å; N308-N362 PolarHBondContact OD1-ND2 3.39Å; I354-N362 VanDerWaalsContact CG2-ND2 3.33Å; I354-N362 WeakPolarHBondContact CG2-ND2 3.4Å |
| 363 | I | 85.6 | Confident | 72 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.8 | 173.9 | -65.2 | -176.6 | 0 | 0 | 0 | 108.9 | Y259 M306 V307 L309 Q365 | Y259-I363 HydrophobicContact CD2-CG2 3.59Å; Y259-I363 HydrophobicContact CE2-CG2 3.72Å; Y259-I363 HydrophobicContact CG-CG2 4.38Å; M306-I363 CarbonylContact C-O 3.59Å; M306-I363 WeakPolarHBondContact CA-O 3.33Å; V307-I363 HydrophobicContact CB-CB 4.44Å; V307-I363 PolarHBondContact N-O 3.47Å; V307-I363 PolarHBondContact O-N 2.95Å; L309-I363 HydrophobicContact CD1-CD1 3.59Å; L309-I363 HydrophobicContact CD1-CG1 4.08Å; I363-Q365 HydrophobicContact CG2-CG 4.07Å |
| 364 | I | 90 | Very high | 71.2 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.2 | 179.9 | -64.7 | 149.8 | 0 | 0 | 0 | 109.3 | V256 I258 Y259 L304 M306 V347 | V256-I364 HydrophobicContact CG1-CD1 3.63Å; I258-I364 WeakPolarHBondContact CA-O 3.28Å; I258-I364 HydrophobicContact CG1-CG2 4.23Å; I258-I364 HydrophobicContact CG2-CG2 4.48Å; Y259-I364 WeakPolarHBondContact CD2-O 3.21Å; Y259-I364 PolarHBondContact N-O 2.9Å; L304-I364 HydrophobicContact CD2-CG2 4.5Å; M306-I364 HydrophobicContact CE-CD1 4.31Å; M306-I364 HydrophobicContact CE-CG1 4.16Å; M306-I364 HydrophobicContact CG-CG1 4.19Å; V347-I364 HydrophobicContact CG1-CD1 3.47Å; V347-I364 VanDerWaalsContact CG1-CD1 3.47Å; V347-I364 HydrophobicContact CG1-CG1 4.17Å |
| 365 | Q | 89.2 | Confident | 70.5 | Confident | 53 Ų | 53 | 65.4 Ų | 65.4 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.8 | -179.7 | -49.2 | -168.2 | -30.8 | 0 | 0 | 110 | Y259 L304 V305 V307 I363 | Y259-Q365 WeakPolarHBondContact O-CA 3.36Å; L304-Q365 WeakPolarHBondContact CA-O 3.3Å; V305-Q365 PolarHBondContact N-O 2.89Å; V305-Q365 PolarHBondContact O-N 2.91Å; V307-Q365 HydrophobicContact CG2-CG 4.37Å; I363-Q365 HydrophobicContact CG2-CG 4.07Å |
| 366 | I | 90.2 | Very high | 69.7 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.6 | 166.7 | -176.8 | 161.6 | 0 | 0 | 0 | 109.7 | I258 Y259 S262 L263 V284 T287 L288 Y302 L304 | I258-I366 HydrophobicContact CG2-CB 4.31Å; I258-I366 HydrophobicContact CG2-CG2 4.36Å; Y259-I366 PolarHBondContact O-N 3.25Å; S262-I366 PolarHBondContact OG-O 3.45Å; L263-I366 HydrophobicContact CD1-CD1 4.13Å; L263-I366 HydrophobicContact CD1-CG1 4.37Å; L263-I366 HydrophobicContact CD1-CG2 3.56Å; L263-I366 HydrophobicContact CG-CG2 4.09Å; V284-I366 HydrophobicContact CB-CD1 4.48Å; V284-I366 HydrophobicContact CG1-CD1 4.13Å; V284-I366 HydrophobicContact CG2-CD1 4.25Å; T287-I366 HydrophobicContact CG2-CB 4.26Å; T287-I366 HydrophobicContact CG2-CD1 3.65Å; T287-I366 HydrophobicContact CG2-CG2 3.83Å; L288-I366 HydrophobicContact CD2-CD1 4.39Å; L288-I366 HydrophobicContact CG-CD1 4.34Å; Y302-I366 HydrophobicContact CD1-CD1 4.49Å; Y302-I366 HydrophobicContact CD1-CG1 4.21Å; Y302-I366 HydrophobicContact CG-CD1 4.43Å; L304-I366 HydrophobicContact CD2-CB 4.13Å; L304-I366 HydrophobicContact CD2-CG1 4.47Å |
| 367 | R | 83.4 | Confident | 69.3 | Low | 38 Ų | 38 | 62 Ų | 62 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.7 | 177.1 | -61.7 | -166.1 | -167.3 | 158.4 | 12.2 | 111.2 | Y302 C303 V305 E338 | Y302-R367 CarbonylContact C-O 3.58Å; Y302-R367 WeakPolarHBondContact CA-O 3.45Å; C303-R367 PolarHBondContact N-O 2.77Å; C303-R367 PolarHBondContact O-N 2.85Å; C303-R367 PolarHBondContact SG-O 3.11Å; C303-R367 VanDerWaalsContact SG-O 3.4Å; V305-R367 HydrophobicContact CG2-CB 4.27Å; V305-R367 HydrophobicContact CG2-CG 4.23Å; E338-R367 VanDerWaalsContact CD-NH2 3.3Å; E338-R367 IonicContact OE1-CZ 3.08Å; E338-R367 IonicContact OE1-NH1 2.72Å; E338-R367 PolarHBondContact OE1-NH1 3.09Å; E338-R367 IonicContact OE1-NH2 2.66Å; E338-R367 PolarHBondContact OE1-NH2 3.12Å; E338-R367 IonicContact OE2-CZ 2.75Å; E338-R367 IonicContact OE2-NH1 3.99Å; E338-R367 PolarHBondContact OE2-NH1 2.95Å; E338-R367 IonicContact OE2-NH2 3.66Å; E338-R367 PolarHBondContact OE2-NH2 3.39Å |
| 368 | H | 85.4 | Confident | 69.3 | Low | 72 Ų | 72 | 67.4 Ų | 67.4 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.2 | 170.7 | -168 | -113.4 | 0 | 0 | 0 | 109.2 | D301 Y302 Y370 A371 | D301-H368 CarbonylContact O-C 3.56Å; D301-H368 VanDerWaalsContact O-CA 3.31Å; D301-H368 WeakPolarHBondContact O-CA 3.33Å; D301-H368 PolarHBondContact O-CD2 3.4Å; D301-H368 VanDerWaalsContact O-CD2 3.27Å; Y302-H368 HydrophobicContact CD1-CB 4.17Å; Y302-H368 HydrophobicContact CE1-CB 3.95Å; Y302-H368 AromaticContact CE1-CD2 3.88Å; Y302-H368 AromaticContact CZ-CD2 3.89Å; H368-Y370 AromaticContact CE1-CD2 3.56Å; H368-Y370 AromaticContact ND1-CD2 3.87Å; H368-Y370 PolarHBondContact O-N 3.09Å; H368-Y370 VanDerWaalsContact O-N 3.16Å; H368-A371 HydrophobicContact CB-CB 4.31Å; H368-A371 VanDerWaalsContact O-CB 3.29Å; H368-A371 WeakPolarHBondContact O-CB 3.28Å; H368-A371 PolarHBondContact O-N 3.44Å |
| 369 | R | 75.7 | Confident | 69.5 | Low | 41 Ų | 41 | 63.1 Ų | 63.1 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.5 | -174.3 | -69.2 | -174.7 | -177.2 | -170.7 | -0.8 | 113.3 | R300 D301 Y302 C303 D343 A371 P379 | R300-R369 WeakPolarHBondContact O-CD 3.33Å; R300-R369 PolarHBondContact O-NE 3.23Å; D301-R369 PolarHBondContact O-N 2.81Å; Y302-R369 PolarHBondContact O-NE 3.33Å; C303-R369 HydrophobicContact CB-CG 3.99Å; D343-R369 IonicContact OD1-CZ 2.67Å; D343-R369 IonicContact OD1-NH2 3.37Å; D343-R369 PolarHBondContact OD1-NH2 3.38Å; D343-R369 IonicContact OD2-CZ 3.47Å; D343-R369 IonicContact OD2-NH1 2.81Å; D343-R369 IonicContact OD2-NH2 3.57Å; D343-R369 PolarHBondContact OD2-NH2 3.5Å; R369-A371 VanDerWaalsContact C-N 3.32Å; R369-P379 WeakPolarHBondContact O-CD 3.32Å; R369-P379 WeakPolarHBondContact O-CG 3.24Å |
| 370 | Y | 71.6 | Confident | 68.9 | Low | 143 Ų | 143 | 66.5 Ų | 66.5 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -3.8 | 178.2 | -55.1 | -86.9 | 0 | 0 | 0 | 113.9 | H368 L381 | H368-Y370 AromaticContact CE1-CD2 3.56Å; H368-Y370 AromaticContact ND1-CD2 3.87Å; H368-Y370 PolarHBondContact O-N 3.09Å; H368-Y370 VanDerWaalsContact O-N 3.16Å; Y370-L381 HydrophobicContact CE1-CD2 4.32Å |
| 371 | A | 67.1 | Low | 67.6 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 33% | 0.331 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -81.9 | 137.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H368 R369 P379 | H368-A371 HydrophobicContact CB-CB 4.31Å; H368-A371 VanDerWaalsContact O-CB 3.29Å; H368-A371 WeakPolarHBondContact O-CB 3.28Å; H368-A371 PolarHBondContact O-N 3.44Å; R369-A371 VanDerWaalsContact C-N 3.32Å; A371-P379 WeakPolarHBondContact O-CD 3.29Å |
| 372 | V | 63.2 | Low | 65.6 | Low | 80 Ų | 80 | 74.5 Ų | 74.5 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -81 | 140.3 | -179.5 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | G376 K377 R378 | V372-G376 VanDerWaalsContact CG1-C 3.43Å; V372-G376 WeakPolarHBondContact CG1-O 3.2Å; V372-K377 WeakPolarHBondContact CG1-O 3.31Å; V372-R378 HydrophobicContact CG2-CG 4.02Å |
| 373 | G | 56.7 | Low | 63.1 | Low | 14 Ų | 14 | 78.3 Ų | 78.3 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -74 | 170 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D375 G376 K377 | G373-D375 PolarHBondContact O-N 3.41Å; G373-G376 PolarHBondContact O-N 3.2Å; G373-K377 PolarHBondContact N-O 3.1Å |
| 374 | K | 52.1 | Low | 60.5 | Low | 206 Ų | 206 | 81.5 Ų | 81.5 | 90% | 0.896 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.8 | 177.2 | -75.2 | -168.6 | 174.9 | -172.4 | 0 | 113.9 | ||
| 375 | D | 51.2 | Low | 57.4 | Low | 88 Ų | 88 | 85.8 Ų | 85.8 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 1 | 173.2 | 70.3 | -23.4 | 0 | 0 | 0 | 112.9 | G373 K377 | G373-D375 PolarHBondContact O-N 3.41Å; D375-K377 VanDerWaalsContact C-N 3.3Å; D375-K377 PolarHBondContact O-N 3.43Å; D375-K377 PolarHBondContact OD1-N 2.94Å; D375-K377 WeakPolarHBondContact OD2-CD 3.46Å; D375-K377 VanDerWaalsContact OD2-CE 3.29Å; D375-K377 WeakPolarHBondContact OD2-CE 3.3Å; D375-K377 WeakPolarHBondContact OD2-CG 3.41Å; D375-K377 IonicContact OD2-NZ 3.88Å |
| 376 | G | 48.1 | Very low | 54.4 | Low | 58 Ų | 58 | 93.8 Ų | 93.8 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 81.8 | -2.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V372 G373 | V372-G376 VanDerWaalsContact CG1-C 3.43Å; V372-G376 WeakPolarHBondContact CG1-O 3.2Å; G373-G376 PolarHBondContact O-N 3.2Å |
| 377 | K | 47.6 | Very low | 51.2 | Low | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 150.1 | 177.1 | -61.2 | -176.7 | -160 | 164.7 | 0 | 111.1 | V372 G373 D375 | V372-K377 WeakPolarHBondContact CG1-O 3.31Å; G373-K377 PolarHBondContact N-O 3.1Å; D375-K377 VanDerWaalsContact C-N 3.3Å; D375-K377 PolarHBondContact O-N 3.43Å; D375-K377 PolarHBondContact OD1-N 2.94Å; D375-K377 WeakPolarHBondContact OD2-CD 3.46Å; D375-K377 VanDerWaalsContact OD2-CE 3.29Å; D375-K377 WeakPolarHBondContact OD2-CE 3.3Å; D375-K377 WeakPolarHBondContact OD2-CG 3.41Å; D375-K377 IonicContact OD2-NZ 3.88Å |
| 378 | R | 54.9 | Low | 48.3 | Very low | 190 Ų | 190 | 104.6 Ų | 104.6 | 72% | 0.717 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 147.4 | 162.8 | -71 | 178.4 | -179.5 | 170.7 | 1.1 | 109 | V372 | V372-R378 HydrophobicContact CG2-CG 4.02Š|
| 379 | P | 55.6 | Low | 45.3 | Very low | 17 Ų | 17 | 107.1 Ų | 107.1 | 11% | 0.11 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -47.2 | 138.6 | 159.3 | -27.4 | 35.7 | 0 | 0 | 0 | 110.4 | T340 R369 A371 L381 | T340-P379 HydrophobicContact CG2-CB 4.27Å; R369-P379 WeakPolarHBondContact O-CD 3.32Å; R369-P379 WeakPolarHBondContact O-CG 3.24Å; A371-P379 WeakPolarHBondContact O-CD 3.29Å; P379-L381 PolarHBondContact O-N 3.41Å |
| 380 | P | 49.7 | Very low | 43.4 | Very low | 108 Ų | 108 | 110.9 Ų | 110.9 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 128.5 | 177.4 | 25.2 | -32.8 | 0 | 0 | 0 | 109.6 | ||
| 381 | L | 44.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.5 | 170.2 | -67.1 | 170.6 | 0 | 0 | 0 | 108.6 | Y370 P379 S383 | Y370-L381 HydrophobicContact CE1-CD2 4.32Å; P379-L381 PolarHBondContact O-N 3.41Å; L381-S383 PolarHBondContact O-N 3.08Å |
| 382 | T | 35.2 | Very low | 39 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | trans | -64.1 | 100.7 | 173.9 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 383 | S | 28.2 | Very low | 36.9 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -56.1 | 135.5 | 177.1 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | L381 A385 | L381-S383 PolarHBondContact O-N 3.08Å; S383-A385 PolarHBondContact O-N 2.98Å | ||
| 384 | P | 30.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -59.7 | 134 | 171.6 | 26.6 | -33.5 | 0 | 0 | 0 | 109.1 | Y386 | P384-Y386 PolarHBondContact O-N 2.88Š| ||
| 385 | A | 25.6 | Very low | 34.1 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -78 | 92.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S383 | S383-A385 PolarHBondContact O-N 2.98Š|
| 386 | Y | 24.6 | Very low | 32.7 | Very low | 221 Ų | 221 | 124.9 Ų | 124.9 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | trans | -144.6 | 117.4 | 159.2 | -92.2 | -72.6 | 0 | 0 | 0 | 113.7 | P384 | P384-Y386 PolarHBondContact O-N 2.88Š| ||
| 387 | S | 22.9 | Very low | 31.2 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | trans | 33 | 119.8 | 145.8 | 57.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 388 | H | 22.8 | Very low | 29.9 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | 81.7 | 126.6 | 128.7 | -84.7 | -101.6 | 0 | 0 | 0 | 124 | |||||
| 389 | V | 23.5 | Very low | 28.2 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | 81.8 | 134.5 | 141.2 | 173.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 390 | P | 35.8 | Very low | 26.4 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -104.8 | 158.1 | -173.5 | 40.2 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 391 | T | 25.3 | Very low | 24.9 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | -130.5 | 149.7 | 169.5 | -46.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 392 | Q | 20.3 | Very low | 23.7 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -90.1 | 153.4 | -167.9 | -59.1 | 160.2 | -45.3 | 0 | 0 | 113.9 | ||||
| 393 | Q | 18.9 | Very low | 22.9 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 65.9 | 146.5 | 133.2 | -80.7 | 179.9 | -10.1 | 0 | 0 | 124.1 | ||||
| 394 | V | 21.5 | Very low | 22.5 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 79.5 | 129.6 | 151.4 | 166.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 395 | P | 29.4 | Very low | 22.1 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -94.6 | 146.8 | -171.8 | 37 | -35.5 | 0 | 0 | 0 | 113.9 | ||||
| 396 | I | 21.6 | Very low | 21.8 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | -96.5 | 113.5 | 169 | -62.3 | 176.5 | 0 | 0 | 0 | 109 | L398 | I396-L398 HydrophobicContact CG2-CD1 4.35Å; I396-L398 HydrophobicContact CG2-CG 3.94Å | ||
| 397 | S | 17 | Very low | 21.7 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -84.9 | 104.5 | 163.3 | -62.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 398 | L | 20 | Very low | 21.5 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -86.1 | 136.5 | 175.2 | -101.9 | 165.4 | 0 | 0 | 0 | 111.2 | I396 | I396-L398 HydrophobicContact CG2-CD1 4.35Å; I396-L398 HydrophobicContact CG2-CG 3.94Å | ||
| 399 | H | 18.6 | Very low | 21.4 | Very low | 166 Ų | 166 | 127 Ų | 127 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -89.8 | 166.4 | -168.9 | -108.1 | -113.1 | 0 | 0 | 0 | 113.1 | ||||
| 400 | S | 18.7 | Very low | 21.1 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | 69 | 130.2 | 141.2 | 66.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 401 | N | 18 | Very low | 20.4 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | 71.6 | 145.9 | 128.6 | -64.8 | 3.8 | 0 | 0 | 0 | 119.3 | |||||
| 402 | S | 18.9 | Very low | 20.2 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -164.5 | 175 | -8.7 | 46.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 403 | S | 19.2 | Very low | 20.2 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | 60.8 | 106.9 | 138.9 | 60.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 404 | S | 19.6 | Very low | 20.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | 57.8 | 114.6 | 128.6 | 64.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 405 | S | 22.3 | Very low | 20.5 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -139.9 | 65.1 | 146.7 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | S407 | S405-S407 PolarHBondContact O-N 3.44Å; S405-S407 VanDerWaalsContact O-N 3.13Å | ||
| 406 | S | 18.4 | Very low | 20.3 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | -72 | 96.9 | 167.4 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 407 | S | 22.6 | Very low | 20.3 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -96.5 | 123 | 171.5 | 47.1 | 0 | 0 | 0 | 0 | 111 | S405 | S405-S407 PolarHBondContact O-N 3.44Å; S405-S407 VanDerWaalsContact O-N 3.13Å | ||
| 408 | S | 18.2 | Very low | 20.6 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -81.3 | 131 | 175.8 | 146.3 | 0 | 0 | 0 | 0 | 110.9 | H410 | S408-H410 PolarHBondContact OG-ND1 3.49Š| ||
| 409 | C | 20.5 | Very low | 20.6 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 88% | 0.878 | 76% | 0.757 | S | S | * | * | trans | -114.3 | 144.2 | 146.6 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 410 | H | 19.2 | Very low | 20.8 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -114.2 | 168.8 | -162 | -113.8 | 66.2 | 0 | 0 | 0 | 112.4 | S408 | S408-H410 PolarHBondContact OG-ND1 3.49Š| ||
| 411 | N | 19.5 | Very low | 21.2 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | 79.9 | 108.3 | 155.4 | -65.9 | -14.7 | 0 | 0 | 0 | 121.2 | ||||
| 412 | H | 20.7 | Very low | 21.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | 100 | 110.3 | 121.9 | -81.6 | -38.2 | 0 | 0 | 0 | 121.9 | |||||
| 413 | K | 22.1 | Very low | 21.9 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 70.9 | 143.3 | 139.4 | -61.8 | 174.8 | -177.9 | 177.2 | 0 | 118.1 | ||||
| 414 | D | 22.2 | Very low | 22.4 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | cis | -172 | 155.4 | -37.2 | -119.6 | -59.7 | 0 | 0 | 0 | 106.1 | K416 | D414-K416 IonicContact OD1-NZ 3.89Š| ||
| 415 | G | 23.6 | Very low | 23.1 | Very low | 64 Ų | 64 | 141.6 Ų | 141.6 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | 84.5 | 70.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 416 | K | 24.3 | Very low | 24.2 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 58.3 | 122.8 | 67.1 | -64.4 | 174.9 | 174.4 | 153.5 | 0 | 114.2 | D414 | D414-K416 IonicContact OD1-NZ 3.89Š| |||
| 417 | Q | 23.4 | Very low | 26.1 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 67.8 | 75.9 | 162.4 | -62.1 | -172.3 | -4.5 | 0 | 0 | 118.6 | R419 | Q417-R419 PolarHBondContact O-N 3.15Å; Q417-R419 VanDerWaalsContact O-N 3.11Å | ||
| 418 | L | 22.8 | Very low | 28.6 | Very low | 182 Ų | 182 | 135.7 Ų | 135.7 | 95% | 0.953 | 70% | 0.703 | S | S | * | * | 18 | 84.3 | 111.9 | -161.1 | 82.2 | 0 | 0 | 0 | 116.1 | |||||
| 419 | R | 20.4 | Very low | 31.5 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -138.3 | 158.1 | 160.1 | -82.5 | -165.1 | 171.5 | -155.9 | -2.3 | 110.1 | Q417 | Q417-R419 PolarHBondContact O-N 3.15Å; Q417-R419 VanDerWaalsContact O-N 3.11Å | ||
| 420 | Q | 22.6 | Very low | 34.7 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 73% | 0.729 | 64% | 0.639 | S | S | * | * | trans | 66.2 | 55.5 | 176.9 | -61.4 | -176.1 | -47 | 0 | 0 | 116.6 | Q422 | Q420-Q422 HydrophobicContact CB-CG 4.45Å; Q420-Q422 HydrophobicContact CG-CG 4.43Å; Q420-Q422 PolarHBondContact O-N 3.39Å | ||
| 421 | S | 26.6 | Very low | 37.8 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 83% | 0.832 | 61% | 0.607 | S | S | * | * | trans | -65.1 | 63.3 | 139.4 | 42.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 422 | Q | 25.9 | Very low | 41 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 68% | 0.682 | 58% | 0.579 | S | S | * | * | trans | -105.6 | 62.8 | 178.2 | -78.1 | -174.6 | -50.6 | 0 | 0 | 111.6 | Q420 | Q420-Q422 HydrophobicContact CB-CG 4.45Å; Q420-Q422 HydrophobicContact CG-CG 4.43Å; Q420-Q422 PolarHBondContact O-N 3.39Å | ||
| 423 | Q | 26 | Very low | 43.9 | Very low | 167 Ų | 167 | 108.8 Ų | 108.8 | 78% | 0.78 | 55% | 0.549 | S | S | * | . | trans | -156.9 | 42.6 | 165.2 | -122.3 | 174 | 17.9 | 0 | 0 | 112.9 | ||||
| 424 | L | 29.1 | Very low | 46.4 | Very low | 138 Ų | 138 | 102.6 Ų | 102.6 | 72% | 0.723 | 52% | 0.524 | S | S | * | . | trans | -130.8 | 72.8 | 171.1 | -85.7 | 168.9 | 0 | 0 | 0 | 108.9 | ||||
| 425 | T | 33.6 | Very low | 48.5 | Very low | 107 Ų | 107 | 98.1 Ų | 98.1 | 66% | 0.656 | 51% | 0.509 | S | S | * | . | trans | -104.4 | 153.6 | 177.7 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | M427 | T425-M427 PolarHBondContact O-N 2.9Š| ||
| 426 | D | 47.2 | Very low | 50.1 | Low | 119 Ų | 119 | 101 Ų | 101 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 78.7 | -5.3 | 163 | -43.1 | -36.4 | 0 | 0 | 0 | 119.7 | ||
| 427 | M | 58.4 | Low | 51.4 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 49% | 0.493 | 51% | 0.511 | S | S | . | . | trans | -117.9 | 148.2 | 176.3 | -64.5 | -58.4 | 136.4 | 0 | 0 | 114 | T425 Y429 T451 | T425-M427 PolarHBondContact O-N 2.9Å; M427-Y429 WeakPolarHBondContact O-CD1 3.5Å; M427-Y429 WeakPolarHBondContact O-CE1 3.33Å; M427-T451 WeakPolarHBondContact CB-OG1 3.24Å; M427-T451 HydrophobicContact CG-CG2 4.45Å; M427-T451 HydrophobicContact SD-CG2 3.9Å | ||
| 428 | P | 73.8 | Confident | 52.8 | Low | 11 Ų | 11 | 98.1 Ų | 98.1 | 7% | 0.071 | 51% | 0.507 | C | S | . | . | trans | -85.2 | 145.3 | -179.3 | 33.9 | -33.9 | 0 | 0 | 0 | 113.1 | L450 F454 I598 | P428-L450 HydrophobicContact CG-CB 4.4Å; P428-L450 WeakPolarHBondContact O-CB 3.27Å; P428-L450 PolarHBondContact O-N 2.98Å; P428-F454 HydrophobicContact CB-CD2 4.28Å; P428-F454 HydrophobicContact CB-CE2 4.05Å; P428-F454 HydrophobicContact CB-CZ 4.41Å; P428-F454 HydrophobicContact CG-CB 4.37Å; P428-F454 HydrophobicContact CG-CD1 4.44Å; P428-F454 HydrophobicContact CG-CD2 3.44Å; P428-F454 VanDerWaalsContact CG-CD2 3.44Å; P428-F454 HydrophobicContact CG-CE2 3.72Å; P428-F454 HydrophobicContact CG-CG 3.85Å; P428-F454 HydrophobicContact CG-CZ 4.34Å; P428-I598 WeakPolarHBondContact CA-O 3.27Å | ||
| 429 | Y | 80 | Confident | 54.4 | Low | 59 Ų | 59 | 94.3 Ų | 94.3 | 23% | 0.231 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 166.3 | -177.9 | 50.7 | -94.6 | 0 | 0 | 0 | 113.3 | M427 V431 T447 I448 I598 | M427-Y429 WeakPolarHBondContact O-CD1 3.5Å; M427-Y429 WeakPolarHBondContact O-CE1 3.33Å; Y429-V431 HydrophobicContact CD2-CG2 3.38Å; Y429-V431 HydrophobicContact CE2-CG2 3.37Å; Y429-T447 HydrophobicContact CD2-CG2 4.07Å; Y429-T447 HydrophobicContact CG-CG2 4.28Å; Y429-I448 CarbonylContact C-O 3.16Å; Y429-I448 VanDerWaalsContact CA-O 3.25Å; Y429-I448 WeakPolarHBondContact CA-O 3.39Å; Y429-I448 VanDerWaalsContact CB-O 3.26Å; Y429-I448 WeakPolarHBondContact CB-O 3.36Å; Y429-I598 HydrophobicContact CD2-CB 4.19Å; Y429-I598 HydrophobicContact CE2-CB 3.76Å; Y429-I598 HydrophobicContact CE2-CD1 4.06Å; Y429-I598 HydrophobicContact CE2-CG1 4.36Å; Y429-I598 HydrophobicContact CE2-CG2 4.05Å; Y429-I598 PolarHBondContact N-O 3.32Å; Y429-I598 PolarHBondContact O-N 3Å |
| 430 | L | 86.7 | Confident | 56.3 | Low | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.005 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 166.9 | -71.1 | 154.6 | 0 | 0 | 0 | 108.9 | T447 I448 L450 F494 L587 L595 K596 Y597 | L430-T447 CarbonylContact O-C 3.56Å; L430-T447 WeakPolarHBondContact O-CA 3.5Å; L430-I448 HydrophobicContact CB-CB 4.16Å; L430-I448 HydrophobicContact CB-CD1 4.06Å; L430-I448 HydrophobicContact CB-CG1 4.42Å; L430-I448 HydrophobicContact CD1-CD1 3.89Å; L430-I448 PolarHBondContact N-O 3.41Å; L430-I448 PolarHBondContact O-N 2.96Å; L430-L450 HydrophobicContact CD1-CD1 4.06Å; L430-L450 HydrophobicContact CD1-CD2 4.18Å; L430-L450 HydrophobicContact CD1-CG 4.44Å; L430-L450 HydrophobicContact CG-CD1 4.01Å; L430-F494 HydrophobicContact CD1-CE1 4.04Å; L430-F494 HydrophobicContact CD1-CE2 4.14Å; L430-F494 HydrophobicContact CD1-CZ 3.77Å; L430-L587 HydrophobicContact CD2-CD1 3.64Å; L430-L587 HydrophobicContact CD2-CG 4.46Å; L430-L595 HydrophobicContact CB-CB 4.47Å; L430-L595 HydrophobicContact CD2-CB 4.08Å; L430-K596 WeakPolarHBondContact CA-O 3.4Å; L430-Y597 HydrophobicContact CD2-CD2 4.38Å |
| 431 | V | 84.6 | Confident | 58.3 | Low | 6 Ų | 6 | 84 Ų | 84 | 4% | 0.036 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.8 | 174.6 | -163.7 | 0 | 0 | 0 | 0 | 110.2 | Y429 V433 I441 T447 L595 K596 I598 | Y429-V431 HydrophobicContact CD2-CG2 3.38Å; Y429-V431 HydrophobicContact CE2-CG2 3.37Å; V431-V433 PolarHBondContact O-N 3.06Å; V431-I441 HydrophobicContact CG1-CB 4.38Å; V431-I441 HydrophobicContact CG1-CD1 4.26Å; V431-I441 HydrophobicContact CG1-CG1 3.99Å; V431-I441 HydrophobicContact CG1-CG2 3.69Å; V431-T447 HydrophobicContact CG2-CG2 4.35Å; V431-L595 CarbonylContact O-C 3.58Å; V431-L595 WeakPolarHBondContact O-CA 3.42Å; V431-K596 PolarHBondContact N-O 3.41Å; V431-K596 PolarHBondContact O-N 2.82Å; V431-I598 HydrophobicContact CG2-CD1 4.16Å |
| 432 | E | 86 | Confident | 60.2 | Low | 17 Ų | 17 | 81.1 Ų | 81.1 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 125 | 165.8 | -171.2 | -176.8 | 161.9 | 0 | 0 | 111.6 | H442 G445 F446 L593 Y594 L595 | E432-H442 HydrophobicContact CG-CB 4.09Å; E432-H442 PolarHBondContact O-N 2.98Å; E432-H442 IonicContact OE1-CE1 3.74Å; E432-H442 IonicContact OE1-CG 3.29Å; E432-H442 IonicContact OE1-ND1 3.78Å; E432-H442 PolarHBondContact OE1-ND1 3.04Å; E432-H442 IonicContact OE2-ND1 3.4Å; E432-G445 WeakPolarHBondContact OE2-CA 3.4Å; E432-F446 WeakPolarHBondContact CB-O 3.43Å; E432-F446 PolarHBondContact N-O 3.38Å; E432-F446 WeakPolarHBondContact OE2-CD1 3.36Å; E432-F446 WeakPolarHBondContact OE2-CE1 3.28Å; E432-F446 PolarHBondContact OE2-N 3.09Å; E432-L593 HydrophobicContact CG-CD1 3.84Å; E432-Y594 WeakPolarHBondContact CA-O 3.2Å; E432-L595 HydrophobicContact CB-CD2 4.21Å |
| 433 | V | 83.1 | Confident | 61.5 | Low | 6 Ų | 6 | 79.3 Ų | 79.3 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -116.7 | 153.6 | 178.5 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | V431 S440 I586 Y594 K596 | V431-V433 PolarHBondContact O-N 3.06Å; V433-S440 CarbonylContact C-O 3.44Å; V433-S440 VanDerWaalsContact CA-O 3.28Å; V433-S440 WeakPolarHBondContact CA-O 3.38Å; V433-S440 WeakPolarHBondContact CB-O 3.25Å; V433-I586 HydrophobicContact CG2-CG2 4.36Å; V433-Y594 PolarHBondContact N-O 3.42Å; V433-K596 HydrophobicContact CG1-CB 3.73Å; V433-K596 HydrophobicContact CG1-CD 4.34Å; V433-K596 HydrophobicContact CG2-CB 4.19Å |
| 434 | N | 74.4 | Confident | 63 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | trans | -60.4 | 139.5 | 171.8 | -63.1 | -42.9 | 0 | 0 | 0 | 109.7 | D436 S440 H442 | N434-D436 PolarHBondContact O-N 3.03Å; N434-S440 PolarHBondContact N-O 2.8Å; N434-S440 PolarHBondContact ND2-OG 3.4Å; N434-H442 WeakPolarHBondContact OD1-CA 3.48Å; N434-H442 PolarHBondContact OD1-CD2 3.42Å | ||
| 435 | G | 65.8 | Low | 64.7 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -73.8 | -8.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | Y594 | G435-Y594 VanDerWaalsContact CA-CD2 3.46Å; G435-Y594 VanDerWaalsContact CA-CE2 3.49Å |
| 436 | D | 57.6 | Low | 66.5 | Low | 123 Ų | 123 | 70.7 Ų | 70.7 | 66% | 0.658 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -73.7 | 166.6 | 175.3 | -60.6 | -58.1 | 0 | 0 | 0 | 111.9 | N434 D438 H439 | N434-D436 PolarHBondContact O-N 3.03Å; D436-D438 PolarHBondContact O-N 3.09Å; D436-H439 PolarHBondContact O-ND1 3Å |
| 437 | L | 51.8 | Low | 67.9 | Low | 160 Ų | 160 | 69 Ų | 69 | 84% | 0.838 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -60.1 | -30.7 | -177.8 | -96.2 | 67.8 | 0 | 0 | 0 | 113 | H439 | L437-H439 VanDerWaalsContact C-N 3.32Å; L437-H439 PolarHBondContact O-N 2.93Å; L437-H439 PolarHBondContact O-ND1 3.39Å |
| 438 | D | 51.6 | Low | 68.8 | Low | 137 Ų | 137 | 65.1 Ų | 65.1 | 73% | 0.733 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -76.7 | 84.6 | 170.7 | -71.5 | -30.8 | 0 | 0 | 0 | 109.6 | D436 S440 | D436-D438 PolarHBondContact O-N 3.09Å; D438-S440 PolarHBondContact O-N 3.13Å; D438-S440 PolarHBondContact O-OG 2.86Å |
| 439 | H | 57 | Low | 69 | Low | 102 Ų | 102 | 69.7 Ų | 69.7 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | trans | -65 | 52.6 | -177.1 | -57.2 | -30.4 | 0 | 0 | 0 | 114.7 | D436 L437 I586 | D436-H439 PolarHBondContact O-ND1 3Å; L437-H439 VanDerWaalsContact C-N 3.32Å; L437-H439 PolarHBondContact O-N 2.93Å; L437-H439 PolarHBondContact O-ND1 3.39Å; H439-I586 HydrophobicContact CB-CD1 3.97Å; H439-I586 WeakPolarHBondContact CD2-CD1 3.43Å; H439-I586 VanDerWaalsContact CG-CD1 3.44Å | ||
| 440 | S | 61.2 | Low | 68.9 | Low | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 149.7 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | V433 N434 D438 H442 | V433-S440 CarbonylContact C-O 3.44Å; V433-S440 VanDerWaalsContact CA-O 3.28Å; V433-S440 WeakPolarHBondContact CA-O 3.38Å; V433-S440 WeakPolarHBondContact CB-O 3.25Å; N434-S440 PolarHBondContact N-O 2.8Å; N434-S440 PolarHBondContact ND2-OG 3.4Å; D438-S440 PolarHBondContact O-N 3.13Å; D438-S440 PolarHBondContact O-OG 2.86Å; S440-H442 PolarHBondContact O-N 3.01Å |
| 441 | I | 64.4 | Low | 67.9 | Low | 108 Ų | 108 | 68.5 Ų | 68.5 | 55% | 0.554 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -64.2 | 130.8 | 176.1 | -63.2 | 173.2 | 0 | 0 | 0 | 108.5 | V431 | V431-I441 HydrophobicContact CG1-CB 4.38Å; V431-I441 HydrophobicContact CG1-CD1 4.26Å; V431-I441 HydrophobicContact CG1-CG1 3.99Å; V431-I441 HydrophobicContact CG1-CG2 3.69Å |
| 442 | H | 66.1 | Low | 66.9 | Low | 59 Ų | 59 | 72.8 Ų | 72.8 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 123.4 | 175.3 | 176.9 | -134.9 | 0 | 0 | 0 | 108.1 | E432 N434 S440 N444 G445 | E432-H442 HydrophobicContact CG-CB 4.09Å; E432-H442 PolarHBondContact O-N 2.98Å; E432-H442 IonicContact OE1-CE1 3.74Å; E432-H442 IonicContact OE1-CG 3.29Å; E432-H442 IonicContact OE1-ND1 3.78Å; E432-H442 PolarHBondContact OE1-ND1 3.04Å; E432-H442 IonicContact OE2-ND1 3.4Å; N434-H442 WeakPolarHBondContact OD1-CA 3.48Å; N434-H442 PolarHBondContact OD1-CD2 3.42Å; S440-H442 PolarHBondContact O-N 3.01Å; H442-N444 PolarHBondContact O-N 2.94Å; H442-N444 VanDerWaalsContact O-N 3.14Å; H442-G445 WeakPolarHBondContact ND1-CA 3.49Å; H442-G445 PolarHBondContact ND1-N 3.33Å; H442-G445 WeakPolarHBondContact O-CA 3.34Å; H442-G445 PolarHBondContact O-N 3.43Å |
| 443 | P | 52.9 | Low | 66.1 | Low | 107 Ų | 107 | 72.3 Ų | 72.3 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21 | -168.5 | 23.1 | -35 | 0 | 0 | 0 | 114.5 | ||
| 444 | N | 57.9 | Low | 65.2 | Low | 147 Ų | 147 | 73.6 Ų | 73.6 | 79% | 0.786 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8.5 | 172.4 | -64.9 | -11.8 | 0 | 0 | 0 | 112.2 | H442 | H442-N444 PolarHBondContact O-N 2.94Å; H442-N444 VanDerWaalsContact O-N 3.14Å |
| 445 | G | 65.3 | Low | 64.4 | Low | 20 Ų | 20 | 74.4 Ų | 74.4 | 21% | 0.206 | 42% | 0.416 | C | S | . | . | trans | -80.5 | 149.7 | -167 | 0 | 0 | 0 | 0 | 0 | 114.3 | E432 H442 | E432-G445 WeakPolarHBondContact OE2-CA 3.4Å; H442-G445 WeakPolarHBondContact ND1-CA 3.49Å; H442-G445 PolarHBondContact ND1-N 3.33Å; H442-G445 WeakPolarHBondContact O-CA 3.34Å; H442-G445 PolarHBondContact O-N 3.43Å | ||
| 446 | F | 70.9 | Confident | 63.5 | Low | 65 Ų | 65 | 82.5 Ų | 82.5 | 29% | 0.285 | 44% | 0.435 | S | S | . | . | trans | -84.2 | 151.6 | -178.4 | 66.2 | -82.7 | 0 | 0 | 0 | 112.7 | E432 I448 V477 I479 L593 L595 | E432-F446 WeakPolarHBondContact CB-O 3.43Å; E432-F446 PolarHBondContact N-O 3.38Å; E432-F446 WeakPolarHBondContact OE2-CD1 3.36Å; E432-F446 WeakPolarHBondContact OE2-CE1 3.28Å; E432-F446 PolarHBondContact OE2-N 3.09Å; F446-I448 HydrophobicContact CD2-CG1 3.99Å; F446-I448 HydrophobicContact CE2-CD1 4.02Å; F446-I448 HydrophobicContact CE2-CG1 3.9Å; F446-V477 HydrophobicContact CE2-CG1 4.18Å; F446-I479 HydrophobicContact CZ-CD1 4.48Å; F446-I479 HydrophobicContact CZ-CG1 3.94Å; F446-L593 HydrophobicContact CE1-CD1 3.88Å; F446-L593 HydrophobicContact CZ-CD1 4.02Å; F446-L593 HydrophobicContact CZ-CD2 4.05Å; F446-L595 HydrophobicContact CE2-CD2 4.37Å; F446-L595 HydrophobicContact CZ-CD2 4.25Å | ||
| 447 | T | 75.4 | Confident | 62.9 | Low | 84 Ų | 84 | 81 Ų | 81 | 52% | 0.515 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.5 | 174.1 | -60 | 0 | 0 | 0 | 0 | 109 | Y429 L430 V431 | Y429-T447 HydrophobicContact CD2-CG2 4.07Å; Y429-T447 HydrophobicContact CG-CG2 4.28Å; L430-T447 CarbonylContact O-C 3.56Å; L430-T447 WeakPolarHBondContact O-CA 3.5Å; V431-T447 HydrophobicContact CG2-CG2 4.35Å |
| 448 | I | 79.3 | Confident | 63 | Low | 17 Ų | 17 | 75.4 Ų | 75.4 | 9% | 0.087 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.7 | 175 | -46.7 | 162.2 | 0 | 0 | 0 | 107.3 | Y429 L430 F446 L450 L464 V477 L595 | Y429-I448 CarbonylContact C-O 3.16Å; Y429-I448 VanDerWaalsContact CA-O 3.25Å; Y429-I448 WeakPolarHBondContact CA-O 3.39Å; Y429-I448 VanDerWaalsContact CB-O 3.26Å; Y429-I448 WeakPolarHBondContact CB-O 3.36Å; L430-I448 HydrophobicContact CB-CB 4.16Å; L430-I448 HydrophobicContact CB-CD1 4.06Å; L430-I448 HydrophobicContact CB-CG1 4.42Å; L430-I448 HydrophobicContact CD1-CD1 3.89Å; L430-I448 PolarHBondContact N-O 3.41Å; L430-I448 PolarHBondContact O-N 2.96Å; F446-I448 HydrophobicContact CD2-CG1 3.99Å; F446-I448 HydrophobicContact CE2-CD1 4.02Å; F446-I448 HydrophobicContact CE2-CG1 3.9Å; I448-L450 HydrophobicContact CG2-CD2 4.19Å; I448-L464 HydrophobicContact CD1-CD1 4.02Å; I448-V477 HydrophobicContact CD1-CG1 3.85Å; I448-V477 HydrophobicContact CD1-CG2 4.16Å; I448-V477 HydrophobicContact CG1-CG1 4.12Å; I448-V477 HydrophobicContact CG1-CG2 4.36Å; I448-V477 HydrophobicContact CG2-CG2 3.77Å; I448-L595 HydrophobicContact CD1-CD1 3.94Å |
| 449 | D | 76.5 | Confident | 63 | Low | 107 Ų | 107 | 74.9 Ų | 74.9 | 57% | 0.572 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 130.4 | 167.4 | -166.2 | -19.5 | 0 | 0 | 0 | 109.1 | T451 | D449-T451 WeakPolarHBondContact OD1-CB 3.41Å; D449-T451 PolarHBondContact OD1-N 3.47Å; D449-T451 PolarHBondContact OD1-OG1 3.21Å |
| 450 | L | 77.6 | Confident | 63.3 | Low | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.016 | 41% | 0.408 | C | S | . | . | trans | -105.9 | 2.9 | 176.8 | -63.5 | 178.7 | 0 | 0 | 0 | 112.7 | P428 L430 I448 D452 L453 F454 L550 Y597 | P428-L450 HydrophobicContact CG-CB 4.4Å; P428-L450 WeakPolarHBondContact O-CB 3.27Å; P428-L450 PolarHBondContact O-N 2.98Å; L430-L450 HydrophobicContact CD1-CD1 4.06Å; L430-L450 HydrophobicContact CD1-CD2 4.18Å; L430-L450 HydrophobicContact CD1-CG 4.44Å; L430-L450 HydrophobicContact CG-CD1 4.01Å; I448-L450 HydrophobicContact CG2-CD2 4.19Å; L450-D452 VanDerWaalsContact C-N 3.3Å; L450-D452 PolarHBondContact O-N 3.18Å; L450-D452 VanDerWaalsContact O-N 3.16Å; L450-L453 HydrophobicContact CD2-CD1 4.27Å; L450-L453 WeakPolarHBondContact O-CB 3.41Å; L450-L453 PolarHBondContact O-N 3.37Å; L450-F454 HydrophobicContact CB-CD2 4.16Å; L450-F454 HydrophobicContact CB-CE2 4Å; L450-F454 HydrophobicContact CD1-CE2 4.38Å; L450-F454 WeakPolarHBondContact O-CD2 3.47Å; L450-F454 PolarHBondContact O-N 3.41Å; L450-L550 HydrophobicContact CD1-CD1 4.32Å; L450-L550 HydrophobicContact CD1-CD2 3.76Å; L450-Y597 HydrophobicContact CD1-CD2 4.01Å; L450-Y597 HydrophobicContact CD1-CE2 3.92Å | ||
| 451 | T | 67.2 | Low | 63.7 | Low | 33 Ų | 33 | 74.3 Ų | 74.3 | 20% | 0.202 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -43.6 | -53 | -176 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | M427 D449 L453 F454 T455 | M427-T451 WeakPolarHBondContact CB-OG1 3.24Å; M427-T451 HydrophobicContact CG-CG2 4.45Å; M427-T451 HydrophobicContact SD-CG2 3.9Å; D449-T451 WeakPolarHBondContact OD1-CB 3.41Å; D449-T451 PolarHBondContact OD1-N 3.47Å; D449-T451 PolarHBondContact OD1-OG1 3.21Å; T451-L453 VanDerWaalsContact C-N 3.29Å; T451-L453 PolarHBondContact O-N 3.16Å; T451-F454 CarbonylContact O-C 3.57Å; T451-F454 PolarHBondContact O-N 3.21Å; T451-T455 HydrophobicContact CG2-CG2 4.32Å; T451-T455 WeakPolarHBondContact O-CG2 3.28Å; T451-T455 PolarHBondContact O-N 3.14Å |
| 452 | D | 63.9 | Low | 64.4 | Low | 95 Ų | 95 | 69.5 Ų | 69.5 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -51.3 | -48 | -179.1 | -65.9 | -19.5 | 0 | 0 | 0 | 111.9 | L450 F454 T455 Y458 | L450-D452 VanDerWaalsContact C-N 3.3Å; L450-D452 PolarHBondContact O-N 3.18Å; L450-D452 VanDerWaalsContact O-N 3.16Å; D452-F454 PolarHBondContact O-N 3.31Å; D452-T455 WeakPolarHBondContact O-CB 3.49Å; D452-T455 PolarHBondContact O-N 3.1Å; D452-T455 PolarHBondContact O-OG1 3.48Å; D452-Y458 HydrophobicContact CB-CG 4.4Å; D452-Y458 WeakPolarHBondContact O-CB 3.48Å |
| 453 | L | 67.8 | Low | 65.1 | Low | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -23.6 | -179.4 | -114.9 | 179.7 | 0 | 0 | 0 | 113.7 | L450 T451 Y458 I462 F494 V496 L550 | L450-L453 HydrophobicContact CD2-CD1 4.27Å; L450-L453 WeakPolarHBondContact O-CB 3.41Å; L450-L453 PolarHBondContact O-N 3.37Å; T451-L453 VanDerWaalsContact C-N 3.29Å; T451-L453 PolarHBondContact O-N 3.16Å; L453-Y458 HydrophobicContact CD2-CD1 4.4Å; L453-Y458 HydrophobicContact CG-CD1 4.32Å; L453-I462 HydrophobicContact CD1-CB 4.27Å; L453-I462 HydrophobicContact CD1-CD1 3.71Å; L453-I462 HydrophobicContact CD1-CG1 3.85Å; L453-I462 HydrophobicContact CG-CD1 3.96Å; L453-I462 HydrophobicContact CG-CG1 4.11Å; L453-F494 HydrophobicContact CD1-CB 4.22Å; L453-V496 HydrophobicContact CB-CG2 4.05Å; L453-V496 HydrophobicContact CD2-CB 4.31Å; L453-V496 HydrophobicContact CD2-CG2 4.12Å; L453-V496 WeakPolarHBondContact O-CB 3.4Å; L453-V496 VanDerWaalsContact O-CG2 3.25Å; L453-V496 WeakPolarHBondContact O-CG2 2.9Å; L453-L550 HydrophobicContact CD1-CD1 4.44Å |
| 454 | F | 65.4 | Low | 66.6 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -98.3 | -10.1 | 175.4 | -71.7 | -99.7 | 0 | 0 | 0 | 112.8 | P428 L450 T451 D452 V496 Y548 Y597 | P428-F454 HydrophobicContact CB-CD2 4.28Å; P428-F454 HydrophobicContact CB-CE2 4.05Å; P428-F454 HydrophobicContact CB-CZ 4.41Å; P428-F454 HydrophobicContact CG-CB 4.37Å; P428-F454 HydrophobicContact CG-CD1 4.44Å; P428-F454 HydrophobicContact CG-CD2 3.44Å; P428-F454 VanDerWaalsContact CG-CD2 3.44Å; P428-F454 HydrophobicContact CG-CE2 3.72Å; P428-F454 HydrophobicContact CG-CG 3.85Å; P428-F454 HydrophobicContact CG-CZ 4.34Å; L450-F454 HydrophobicContact CB-CD2 4.16Å; L450-F454 HydrophobicContact CB-CE2 4Å; L450-F454 HydrophobicContact CD1-CE2 4.38Å; L450-F454 WeakPolarHBondContact O-CD2 3.47Å; L450-F454 PolarHBondContact O-N 3.41Å; T451-F454 CarbonylContact O-C 3.57Å; T451-F454 PolarHBondContact O-N 3.21Å; D452-F454 PolarHBondContact O-N 3.31Å; F454-V496 HydrophobicContact CD1-CG1 4.18Å; F454-V496 HydrophobicContact CD1-CG2 3.96Å; F454-V496 HydrophobicContact CD2-CG2 3.65Å; F454-V496 HydrophobicContact CE1-CG1 4.28Å; F454-V496 HydrophobicContact CE1-CG2 3.82Å; F454-V496 HydrophobicContact CE2-CG2 3.49Å; F454-V496 VanDerWaalsContact CE2-CG2 3.49Å; F454-V496 HydrophobicContact CG-CG2 3.88Å; F454-V496 HydrophobicContact CZ-CG2 3.58Å; F454-Y548 HydrophobicContact CD1-CG 4.12Å; F454-Y597 HydrophobicContact CZ-CE2 4.44Å; F454-Y597 WeakPolarHBondContact CZ-OH 3.35Å |
| 455 | T | 55.9 | Low | 67.6 | Low | 59 Ų | 59 | 58.4 Ų | 58.4 | 36% | 0.362 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -72.4 | 147.9 | 166.4 | 75.4 | 0 | 0 | 0 | 0 | 110.3 | T451 D452 A457 Y458 | T451-T455 HydrophobicContact CG2-CG2 4.32Å; T451-T455 WeakPolarHBondContact O-CG2 3.28Å; T451-T455 PolarHBondContact O-N 3.14Å; D452-T455 WeakPolarHBondContact O-CB 3.49Å; D452-T455 PolarHBondContact O-N 3.1Å; D452-T455 PolarHBondContact O-OG1 3.48Å; T455-A457 PolarHBondContact O-N 2.88Å; T455-A457 PolarHBondContact OG1-N 2.81Å; T455-Y458 PolarHBondContact O-N 2.92Å |
| 456 | R | 48.6 | Very low | 68.2 | Low | 208 Ų | 208 | 57.5 Ų | 57.5 | 79% | 0.785 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11.1 | 174.4 | -72.2 | -174.8 | 178.1 | 174.3 | 0.9 | 114 | ||
| 457 | A | 44.2 | Very low | 67.8 | Low | 91 Ų | 91 | 59.2 Ų | 59.2 | 75% | 0.752 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -28.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T455 | T455-A457 PolarHBondContact O-N 2.88Å; T455-A457 PolarHBondContact OG1-N 2.81Å |
| 458 | Y | 53.5 | Low | 66.8 | Low | 44 Ų | 44 | 61.4 Ų | 61.4 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | trans | -102.9 | 96.7 | -175.1 | -158.7 | -96.4 | 0 | 0 | 0 | 112.3 | D452 L453 T455 L460 I462 Y474 P475 | D452-Y458 HydrophobicContact CB-CG 4.4Å; D452-Y458 WeakPolarHBondContact O-CB 3.48Å; L453-Y458 HydrophobicContact CD2-CD1 4.4Å; L453-Y458 HydrophobicContact CG-CD1 4.32Å; T455-Y458 PolarHBondContact O-N 2.92Å; Y458-L460 HydrophobicContact CD1-CB 4.49Å; Y458-L460 WeakPolarHBondContact CD1-O 3.42Å; Y458-L460 HydrophobicContact CE1-CB 3.8Å; Y458-L460 WeakPolarHBondContact CE1-O 3.47Å; Y458-I462 HydrophobicContact CE1-CG1 4.04Å; Y458-Y474 PolarHBondContact OH-O 3.33Å; Y458-P475 HydrophobicContact CE1-CG 4.49Å; Y458-P475 HydrophobicContact CE2-CG 4.36Å; Y458-P475 VanDerWaalsContact OH-CD 3.3Å; Y458-P475 WeakPolarHBondContact OH-CD 3.37Å | ||
| 459 | T | 52.2 | Low | 65.5 | Low | 126 Ų | 126 | 64.3 Ų | 64.3 | 77% | 0.773 | 35% | 0.349 | S | S | * | . | trans | -95 | 1.7 | -177.3 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 460 | L | 63 | Low | 64.3 | Low | 84 Ų | 84 | 60.9 Ų | 60.9 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -93.1 | 149 | -175 | -67.1 | 175.1 | 0 | 0 | 0 | 112.6 | Y458 | Y458-L460 HydrophobicContact CD1-CB 4.49Å; Y458-L460 WeakPolarHBondContact CD1-O 3.42Å; Y458-L460 HydrophobicContact CE1-CB 3.8Å; Y458-L460 WeakPolarHBondContact CE1-O 3.47Å |
| 461 | P | 70 | Confident | 62.8 | Low | 63 Ų | 63 | 67.4 Ų | 67.4 | 41% | 0.409 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 127.6 | 175.4 | -12 | 29.6 | 0 | 0 | 0 | 112.1 | K463 T493 F494 C495 | P461-K463 PolarHBondContact O-N 3.01Å; P461-T493 HydrophobicContact CB-CG2 3.31Å; P461-T493 HydrophobicContact CG-CG2 4.5Å; P461-F494 CarbonylContact C-O 3.58Å; P461-F494 VanDerWaalsContact CA-O 3.25Å; P461-F494 WeakPolarHBondContact CA-O 3.47Å; P461-C495 HydrophobicContact CB-CB 4.29Å |
| 462 | I | 78.5 | Confident | 61.9 | Low | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119.5 | 174.4 | -63.6 | -173.8 | 0 | 0 | 0 | 109.1 | L453 Y458 P475 V477 T493 F494 | L453-I462 HydrophobicContact CD1-CB 4.27Å; L453-I462 HydrophobicContact CD1-CD1 3.71Å; L453-I462 HydrophobicContact CD1-CG1 3.85Å; L453-I462 HydrophobicContact CG-CD1 3.96Å; L453-I462 HydrophobicContact CG-CG1 4.11Å; Y458-I462 HydrophobicContact CE1-CG1 4.04Å; I462-P475 HydrophobicContact CD1-CG 4.05Å; I462-P475 HydrophobicContact CG1-CG 4.33Å; I462-V477 HydrophobicContact CG2-CG2 3.86Å; I462-T493 CarbonylContact O-C 3.54Å; I462-T493 WeakPolarHBondContact O-CA 3.38Å; I462-F494 PolarHBondContact N-O 3.19Å; I462-F494 PolarHBondContact O-N 3.49Å |
| 463 | K | 81.8 | Confident | 61.1 | Low | 79 Ų | 79 | 70.6 Ų | 70.6 | 34% | 0.343 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 145.3 | 171.7 | -56.5 | -178 | 179.2 | -177.1 | 0 | 110.4 | P461 M470 N476 V477 V490 T493 | P461-K463 PolarHBondContact O-N 3.01Å; K463-M470 HydrophobicContact CB-CE 3.64Å; K463-N476 WeakPolarHBondContact CB-OD1 3.36Å; K463-N476 PolarHBondContact N-OD1 2.7Å; K463-N476 CarbonylContact O-C 3.58Å; K463-N476 WeakPolarHBondContact O-CA 3.15Å; K463-V477 PolarHBondContact O-N 3.04Å; K463-V490 HydrophobicContact CB-CG1 4.27Å; K463-V490 HydrophobicContact CD-CG1 4.21Å; K463-V490 HydrophobicContact CD-CG2 4.5Å; K463-V490 HydrophobicContact CG-CG1 4.49Å; K463-T493 HydrophobicContact CG-CG2 4.16Å |
| 464 | L | 83.5 | Confident | 60 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.4 | 178.4 | 173.6 | 155.7 | 0 | 0 | 0 | 110.2 | I448 V477 I479 H491 C492 F494 L589 L595 | I448-L464 HydrophobicContact CD1-CD1 4.02Å; L464-V477 WeakPolarHBondContact CA-O 3.48Å; L464-V477 HydrophobicContact CB-CB 4.13Å; L464-V477 HydrophobicContact CD1-CB 4.17Å; L464-V477 HydrophobicContact CD1-CG1 3.96Å; L464-V477 HydrophobicContact CG-CB 4.15Å; L464-V477 HydrophobicContact CG-CG1 4.21Å; L464-I479 HydrophobicContact CD1-CD1 3.99Å; L464-I479 HydrophobicContact CD2-CD1 3.28Å; L464-I479 HydrophobicContact CG-CD1 3.54Å; L464-I479 HydrophobicContact CG-CG1 4.38Å; L464-H491 HydrophobicContact CD2-CB 4.48Å; L464-H491 PolarHBondContact O-N 3.45Å; L464-C492 PolarHBondContact N-O 2.91Å; L464-C492 PolarHBondContact O-N 3.16Å; L464-F494 HydrophobicContact CB-CE2 4.17Å; L464-F494 HydrophobicContact CD1-CE2 3.91Å; L464-L589 HydrophobicContact CD1-CD1 4.09Å; L464-L589 HydrophobicContact CD2-CD1 3.63Å; L464-L595 HydrophobicContact CD1-CD1 3.86Å |
| 465 | G | 79.7 | Confident | 59.4 | Low | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | -162.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V477 L478 I479 R488 P489 | G465-V477 PolarHBondContact N-O 3.17Å; G465-V477 VanDerWaalsContact N-O 3.12Å; G465-L478 WeakPolarHBondContact O-CA 3.24Å; G465-I479 PolarHBondContact O-N 3.46Å; G465-R488 VanDerWaalsContact CA-O 3.27Å; G465-R488 WeakPolarHBondContact CA-O 3.49Å; G465-P489 CarbonylContact C-O 3.55Å; G465-P489 WeakPolarHBondContact CA-O 3.49Å |
| 466 | T | 77.2 | Confident | 60.1 | Low | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 149.6 | -172.9 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | E468 M470 K481 I487 R488 P489 | T466-E468 VanDerWaalsContact C-N 3.25Å; T466-E468 PolarHBondContact O-N 2.92Å; T466-M470 WeakPolarHBondContact O-CG 3.46Å; T466-K481 HydrophobicContact CG2-CB 3.83Å; T466-K481 HydrophobicContact CG2-CG 4.17Å; T466-I487 HydrophobicContact CG2-CB 4.22Å; T466-I487 HydrophobicContact CG2-CG2 4.14Å; T466-I487 VanDerWaalsContact CG2-O 3.29Å; T466-I487 WeakPolarHBondContact CG2-O 3.21Å; T466-I487 PolarHBondContact OG1-O 3.35Å; T466-R488 PolarHBondContact N-O 2.93Å; T466-P489 PolarHBondContact N-O 3.47Å; T466-P489 WeakPolarHBondContact O-CA 3.26Å; T466-P489 WeakPolarHBondContact OG1-CA 3.11Å |
| 467 | V | 62.5 | Low | 61.4 | Low | 101 Ų | 101 | 68.7 Ų | 68.7 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -55 | -29.6 | -167.4 | -177.7 | 0 | 0 | 0 | 0 | 115.3 | S469 L478 | V467-S469 PolarHBondContact O-N 3.4Å; V467-L478 HydrophobicContact CG2-CB 4.36Å; V467-L478 HydrophobicContact CG2-CD1 4.35Å; V467-L478 HydrophobicContact CG2-CD2 4.23Å |
| 468 | E | 54.7 | Low | 62.9 | Low | 130 Ų | 130 | 68.2 Ų | 68.2 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -57.6 | -22.4 | -163.1 | -67.6 | 178 | 164.9 | 0 | 0 | 116.2 | T466 K481 | T466-E468 VanDerWaalsContact C-N 3.25Å; T466-E468 PolarHBondContact O-N 2.92Å; E468-K481 HydrophobicContact CG-CD 4.46Å; E468-K481 WeakPolarHBondContact OE1-CD 3.35Å; E468-K481 IonicContact OE1-NZ 2.66Å; E468-K481 PolarHBondContact OE1-NZ 3.04Å; E468-K481 IonicContact OE2-NZ 3.35Å; E468-K481 PolarHBondContact OE2-NZ 3.27Å |
| 469 | S | 51.7 | Low | 64.2 | Low | 78 Ų | 78 | 66.3 Ų | 66.3 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -151.9 | 21.9 | 174.3 | 63.3 | 0 | 0 | 0 | 0 | 115.9 | V467 V471 P489 | V467-S469 PolarHBondContact O-N 3.4Å; S469-V471 PolarHBondContact O-N 3.07Å; S469-P489 WeakPolarHBondContact OG-CB 3.34Å |
| 470 | M | 50.9 | Low | 65.2 | Low | 35 Ų | 35 | 63.5 Ų | 63.5 | 17% | 0.172 | 35% | 0.345 | C | S | . | . | trans | -71.9 | 94.9 | 176 | -72.4 | -167.8 | 89.4 | 0 | 0 | 112.2 | K463 T466 N476 L478 P489 V490 | K463-M470 HydrophobicContact CB-CE 3.64Å; T466-M470 WeakPolarHBondContact O-CG 3.46Å; M470-N476 HydrophobicContact CE-CB 3.8Å; M470-L478 HydrophobicContact CB-CD2 4.4Å; M470-L478 HydrophobicContact CG-CD2 4.48Å; M470-L478 HydrophobicContact SD-CD2 3.59Å; M470-L478 VanDerWaalsContact SD-CD2 3.59Å; M470-P489 WeakPolarHBondContact CG-O 3.34Å; M470-V490 HydrophobicContact CE-CG2 4.41Å; M470-V490 HydrophobicContact CG-CG2 4.33Å | ||
| 471 | V | 47 | Very low | 65.6 | Low | 141 Ų | 141 | 63.4 Ų | 63.4 | 86% | 0.855 | 34% | 0.341 | S | S | * | . | trans | -97.3 | 110.3 | 170.3 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | S469 | S469-V471 PolarHBondContact O-N 3.07Š| ||
| 472 | G | 48.9 | Very low | 65.8 | Low | 45 Ų | 45 | 66.1 Ų | 66.1 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 176.5 | 157.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 473 | Q | 46.3 | Very low | 65.4 | Low | 149 Ų | 149 | 72 Ų | 72 | 70% | 0.696 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 154.6 | 173.2 | -71.2 | 173.7 | -19.6 | 0 | 0 | 110.9 | N476 | Q473-N476 PolarHBondContact O-ND2 3.48Š|
| 474 | Y | 44.3 | Very low | 65.3 | Low | 177 Ų | 177 | 69 Ų | 69 | 69% | 0.694 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -80.8 | 166.4 | -174.7 | -70.2 | -88.6 | 0 | 0 | 0 | 112.8 | Y458 | Y458-Y474 PolarHBondContact OH-O 3.33Š|
| 475 | P | 53.3 | Low | 64.7 | Low | 47 Ų | 47 | 73 Ų | 73 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | cis | -67.3 | 129 | -15.1 | 24.6 | -36.5 | 0 | 0 | 0 | 114.6 | Y458 I462 | Y458-P475 HydrophobicContact CE1-CG 4.49Å; Y458-P475 HydrophobicContact CE2-CG 4.36Å; Y458-P475 VanDerWaalsContact OH-CD 3.3Å; Y458-P475 WeakPolarHBondContact OH-CD 3.37Å; I462-P475 HydrophobicContact CD1-CG 4.05Å; I462-P475 HydrophobicContact CG1-CG 4.33Å |
| 476 | N | 70.7 | Confident | 64.5 | Low | 22 Ų | 22 | 75.3 Ų | 75.3 | 12% | 0.118 | 41% | 0.41 | C | S | . | . | trans | -118.5 | 139 | 158.6 | -68.7 | -62.7 | 0 | 0 | 0 | 107.6 | K463 M470 Q473 L478 | K463-N476 WeakPolarHBondContact CB-OD1 3.36Å; K463-N476 PolarHBondContact N-OD1 2.7Å; K463-N476 CarbonylContact O-C 3.58Å; K463-N476 WeakPolarHBondContact O-CA 3.15Å; M470-N476 HydrophobicContact CE-CB 3.8Å; Q473-N476 PolarHBondContact O-ND2 3.48Å; N476-L478 PolarHBondContact O-N 3.48Å | ||
| 477 | V | 75.2 | Confident | 64.8 | Low | 22 Ų | 22 | 75.5 Ų | 75.5 | 13% | 0.133 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 104.4 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | F446 I448 I462 K463 L464 G465 I479 | F446-V477 HydrophobicContact CE2-CG1 4.18Å; I448-V477 HydrophobicContact CD1-CG1 3.85Å; I448-V477 HydrophobicContact CD1-CG2 4.16Å; I448-V477 HydrophobicContact CG1-CG1 4.12Å; I448-V477 HydrophobicContact CG1-CG2 4.36Å; I448-V477 HydrophobicContact CG2-CG2 3.77Å; I462-V477 HydrophobicContact CG2-CG2 3.86Å; K463-V477 PolarHBondContact O-N 3.04Å; L464-V477 WeakPolarHBondContact CA-O 3.48Å; L464-V477 HydrophobicContact CB-CB 4.13Å; L464-V477 HydrophobicContact CD1-CB 4.17Å; L464-V477 HydrophobicContact CD1-CG1 3.96Å; L464-V477 HydrophobicContact CG-CB 4.15Å; L464-V477 HydrophobicContact CG-CG1 4.21Å; G465-V477 PolarHBondContact N-O 3.17Å; G465-V477 VanDerWaalsContact N-O 3.12Å; V477-I479 HydrophobicContact CG1-CG1 4.5Å |
| 478 | L | 76.3 | Confident | 65.4 | Low | 82 Ų | 82 | 73 Ų | 73 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 116.7 | 177 | -60.7 | 176.4 | 0 | 0 | 0 | 109.7 | G465 V467 M470 N476 | G465-L478 WeakPolarHBondContact O-CA 3.24Å; V467-L478 HydrophobicContact CG2-CB 4.36Å; V467-L478 HydrophobicContact CG2-CD1 4.35Å; V467-L478 HydrophobicContact CG2-CD2 4.23Å; M470-L478 HydrophobicContact CB-CD2 4.4Å; M470-L478 HydrophobicContact CG-CD2 4.48Å; M470-L478 HydrophobicContact SD-CD2 3.59Å; M470-L478 VanDerWaalsContact SD-CD2 3.59Å; N476-L478 PolarHBondContact O-N 3.48Å |
| 479 | I | 80.1 | Confident | 66.4 | Low | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.8 | 173.9 | -62.7 | 161.4 | 0 | 0 | 0 | 109.4 | F446 L464 G465 V477 K481 H484 I487 L593 | F446-I479 HydrophobicContact CZ-CD1 4.48Å; F446-I479 HydrophobicContact CZ-CG1 3.94Å; L464-I479 HydrophobicContact CD1-CD1 3.99Å; L464-I479 HydrophobicContact CD2-CD1 3.28Å; L464-I479 HydrophobicContact CG-CD1 3.54Å; L464-I479 HydrophobicContact CG-CG1 4.38Å; G465-I479 PolarHBondContact O-N 3.46Å; V477-I479 HydrophobicContact CG1-CG1 4.5Å; I479-K481 PolarHBondContact O-N 3.21Å; I479-H484 HydrophobicContact CG2-CB 3.88Å; I479-H484 VanDerWaalsContact CG2-CD2 3.41Å; I479-H484 WeakPolarHBondContact CG2-CD2 3.16Å; I479-I487 HydrophobicContact CD1-CD1 3.93Å; I479-I487 HydrophobicContact CD1-CG2 4.16Å; I479-I487 HydrophobicContact CG2-CD1 4.22Å; I479-L593 HydrophobicContact CD1-CD2 3.47Å; I479-L593 VanDerWaalsContact CD1-CD2 3.47Å; I479-L593 HydrophobicContact CG1-CD2 4.31Å |
| 480 | N | 73.6 | Confident | 67.6 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 36% | 0.358 | 36% | 0.355 | S | S | . | . | trans | -71.6 | 115.4 | 175.8 | -175.2 | 6.6 | 0 | 0 | 0 | 111.4 | T482 E483 H484 | N480-T482 VanDerWaalsContact CG-OG1 3.29Å; N480-T482 PolarHBondContact ND2-OG1 3Å; N480-T482 PolarHBondContact O-N 2.8Å; N480-T482 PolarHBondContact OD1-N 3.43Å; N480-T482 PolarHBondContact OD1-OG1 2.89Å; N480-E483 HydrophobicContact CB-CB 4.4Å; N480-E483 WeakPolarHBondContact CB-OE2 3.47Å; N480-E483 PolarHBondContact ND2-OE2 3.23Å; N480-E483 PolarHBondContact O-N 3.31Å; N480-H484 PolarHBondContact O-N 2.82Å | ||
| 481 | K | 72.3 | Confident | 69.1 | Low | 82 Ų | 82 | 64.8 Ų | 64.8 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.7 | 178.8 | -167.3 | 179.1 | 169.6 | -169.7 | 0 | 113.2 | T466 E468 I479 P485 | T466-K481 HydrophobicContact CG2-CB 3.83Å; T466-K481 HydrophobicContact CG2-CG 4.17Å; E468-K481 HydrophobicContact CG-CD 4.46Å; E468-K481 WeakPolarHBondContact OE1-CD 3.35Å; E468-K481 IonicContact OE1-NZ 2.66Å; E468-K481 PolarHBondContact OE1-NZ 3.04Å; E468-K481 IonicContact OE2-NZ 3.35Å; E468-K481 PolarHBondContact OE2-NZ 3.27Å; I479-K481 PolarHBondContact O-N 3.21Å; K481-P485 WeakPolarHBondContact O-CA 3.22Å |
| 482 | T | 72.9 | Confident | 70.9 | Confident | 119 Ų | 119 | 58.1 Ų | 58.1 | 73% | 0.73 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -27.6 | 175 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | N480 | N480-T482 VanDerWaalsContact CG-OG1 3.29Å; N480-T482 PolarHBondContact ND2-OG1 3Å; N480-T482 PolarHBondContact O-N 2.8Å; N480-T482 PolarHBondContact OD1-N 3.43Å; N480-T482 PolarHBondContact OD1-OG1 2.89Å |
| 483 | E | 70.8 | Confident | 72.7 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -37.5 | 177.6 | -74 | 154.2 | 169.7 | 0 | 0 | 110.9 | N480 P485 | N480-E483 HydrophobicContact CB-CB 4.4Å; N480-E483 WeakPolarHBondContact CB-OE2 3.47Å; N480-E483 PolarHBondContact ND2-OE2 3.23Å; N480-E483 PolarHBondContact O-N 3.31Å; E483-P485 WeakPolarHBondContact O-CD 3.5Å |
| 484 | H | 78.7 | Confident | 74.6 | Confident | 16 Ų | 16 | 50 Ų | 50 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | trans | -124 | 72.5 | 178.8 | -53.3 | -76.7 | 0 | 0 | 0 | 111.9 | I479 N480 D486 I487 T592 | I479-H484 HydrophobicContact CG2-CB 3.88Å; I479-H484 VanDerWaalsContact CG2-CD2 3.41Å; I479-H484 WeakPolarHBondContact CG2-CD2 3.16Å; N480-H484 PolarHBondContact O-N 2.82Å; H484-D486 PolarHBondContact O-N 2.99Å; H484-I487 HydrophobicContact CB-CB 4.44Å; H484-I487 HydrophobicContact CB-CD1 3.59Å; H484-I487 HydrophobicContact CB-CG1 3.93Å; H484-I487 PolarHBondContact O-N 2.8Å; H484-T592 WeakPolarHBondContact CB-OG1 3.24Å; H484-T592 PolarHBondContact ND1-OG1 3.38Å; H484-T592 VanDerWaalsContact ND1-OG1 3.07Å | ||
| 485 | P | 71.2 | Confident | 76.2 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 56% | 0.558 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.3 | -171.3 | 28.7 | -37 | 0 | 0 | 0 | 114.8 | K481 E483 | K481-P485 WeakPolarHBondContact O-CA 3.22Å; E483-P485 WeakPolarHBondContact O-CD 3.5Å |
| 486 | D | 75.8 | Confident | 77.3 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.8 | 179.4 | 53.8 | -63.4 | 0 | 0 | 0 | 114.1 | H484 G590 K591 T592 | H484-D486 PolarHBondContact O-N 2.99Å; D486-G590 VanDerWaalsContact OD2-CA 3.31Å; D486-G590 WeakPolarHBondContact OD2-CA 3.47Å; D486-K591 PolarHBondContact OD2-N 2.9Å; D486-T592 WeakPolarHBondContact OD1-CB 3.27Å; D486-T592 WeakPolarHBondContact OD1-CG2 3.5Å; D486-T592 PolarHBondContact OD1-OG1 3.21Å; D486-T592 PolarHBondContact OD2-N 3.34Å; D486-T592 VanDerWaalsContact OD2-N 3.16Å; D486-T592 PolarHBondContact OD2-OG1 2.91Å |
| 487 | I | 82.9 | Confident | 77 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -92.9 | 129 | 179.2 | -61.4 | -174.1 | 0 | 0 | 0 | 110.8 | T466 I479 H484 H491 L589 L593 | T466-I487 HydrophobicContact CG2-CB 4.22Å; T466-I487 HydrophobicContact CG2-CG2 4.14Å; T466-I487 VanDerWaalsContact CG2-O 3.29Å; T466-I487 WeakPolarHBondContact CG2-O 3.21Å; T466-I487 PolarHBondContact OG1-O 3.35Å; I479-I487 HydrophobicContact CD1-CD1 3.93Å; I479-I487 HydrophobicContact CD1-CG2 4.16Å; I479-I487 HydrophobicContact CG2-CD1 4.22Å; H484-I487 HydrophobicContact CB-CB 4.44Å; H484-I487 HydrophobicContact CB-CD1 3.59Å; H484-I487 HydrophobicContact CB-CG1 3.93Å; H484-I487 PolarHBondContact O-N 2.8Å; I487-H491 HydrophobicContact CG2-CB 3.77Å; I487-L589 HydrophobicContact CD1-CB 4.46Å; I487-L593 HydrophobicContact CD1-CB 3.61Å; I487-L593 HydrophobicContact CD1-CD2 3.72Å; I487-L593 HydrophobicContact CD1-CG 4.32Å | ||
| 488 | R | 76.2 | Confident | 76 | Confident | 49 Ų | 49 | 45.3 Ų | 45.3 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | trans | -81.6 | 161.6 | -175.6 | -55.6 | -176.7 | -49.2 | 155.5 | 27.3 | 111.7 | G465 T466 V490 H491 S555 | G465-R488 VanDerWaalsContact CA-O 3.27Å; G465-R488 WeakPolarHBondContact CA-O 3.49Å; T466-R488 PolarHBondContact N-O 2.93Å; R488-V490 VanDerWaalsContact C-N 3.26Å; R488-V490 PolarHBondContact NH2-O 3.39Å; R488-V490 VanDerWaalsContact NH2-O 3.08Å; R488-V490 PolarHBondContact O-N 3.38Å; R488-H491 PolarHBondContact N-ND1 3.37Å; R488-S555 VanDerWaalsContact NH2-CB 3.32Å; R488-S555 PolarHBondContact NH2-O 3.24Å; R488-S555 PolarHBondContact NH2-OG 2.99Å | ||
| 489 | P | 75 | Confident | 74.5 | Confident | 34 Ų | 34 | 42.9 Ų | 42.9 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -54.8 | -36.6 | 179.2 | -30.3 | 37.4 | 0 | 0 | 0 | 114.5 | G465 T466 S469 M470 | G465-P489 CarbonylContact C-O 3.55Å; G465-P489 WeakPolarHBondContact CA-O 3.49Å; T466-P489 PolarHBondContact N-O 3.47Å; T466-P489 WeakPolarHBondContact O-CA 3.26Å; T466-P489 WeakPolarHBondContact OG1-CA 3.11Å; S469-P489 WeakPolarHBondContact OG-CB 3.34Å; M470-P489 WeakPolarHBondContact CG-O 3.34Å |
| 490 | V | 77.4 | Confident | 72.5 | Confident | 34 Ų | 34 | 48 Ų | 48 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -126.2 | 111.6 | 158.7 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | K463 M470 R488 S555 | K463-V490 HydrophobicContact CB-CG1 4.27Å; K463-V490 HydrophobicContact CD-CG1 4.21Å; K463-V490 HydrophobicContact CD-CG2 4.5Å; K463-V490 HydrophobicContact CG-CG1 4.49Å; M470-V490 HydrophobicContact CE-CG2 4.41Å; M470-V490 HydrophobicContact CG-CG2 4.33Å; R488-V490 VanDerWaalsContact C-N 3.26Å; R488-V490 PolarHBondContact NH2-O 3.39Å; R488-V490 VanDerWaalsContact NH2-O 3.08Å; R488-V490 PolarHBondContact O-N 3.38Å; V490-S555 WeakPolarHBondContact O-CB 3.34Å; V490-S555 PolarHBondContact O-OG 3.5Å; V490-S555 VanDerWaalsContact O-OG 3.05Å |
| 491 | H | 83.1 | Confident | 70.4 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | trans | -98.4 | -46.1 | -175.8 | -154.4 | 68.3 | 0 | 0 | 0 | 111.4 | L464 I487 R488 S555 A566 L567 G590 | L464-H491 HydrophobicContact CD2-CB 4.48Å; L464-H491 PolarHBondContact O-N 3.45Å; I487-H491 HydrophobicContact CG2-CB 3.77Å; R488-H491 PolarHBondContact N-ND1 3.37Å; H491-S555 VanDerWaalsContact O-CB 3.29Å; H491-S555 WeakPolarHBondContact O-CB 3.32Å; H491-S555 PolarHBondContact O-N 3.43Å; H491-A566 WeakPolarHBondContact O-CB 3.43Å; H491-L567 PolarHBondContact NE2-O 3.28Å; H491-L567 VanDerWaalsContact NE2-O 3.13Å; H491-G590 PolarHBondContact NE2-N 3.32Å | ||
| 492 | C | 84.9 | Confident | 68.2 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 171.1 | 174 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | L464 L552 T553 I568 | L464-C492 PolarHBondContact N-O 2.91Å; L464-C492 PolarHBondContact O-N 3.16Å; C492-L552 HydrophobicContact CB-CD1 3.68Å; C492-T553 WeakPolarHBondContact CA-O 3.33Å; C492-I568 HydrophobicContact CB-CD1 3.54Å |
| 493 | T | 86.4 | Confident | 65.9 | Low | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.3 | 176.2 | -54 | 0 | 0 | 0 | 0 | 109.7 | P461 I462 K463 T553 | P461-T493 HydrophobicContact CB-CG2 3.31Å; P461-T493 HydrophobicContact CG-CG2 4.5Å; I462-T493 CarbonylContact O-C 3.54Å; I462-T493 WeakPolarHBondContact O-CA 3.38Å; K463-T493 HydrophobicContact CG-CG2 4.16Å; T493-T553 PolarHBondContact N-O 3.35Å; T493-T553 PolarHBondContact O-N 2.8Å |
| 494 | F | 85.9 | Confident | 63.6 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.1 | 176.2 | -63.1 | -83.1 | 0 | 0 | 0 | 111 | L430 L453 P461 I462 L464 L550 L551 L552 I581 L587 | L430-F494 HydrophobicContact CD1-CE1 4.04Å; L430-F494 HydrophobicContact CD1-CE2 4.14Å; L430-F494 HydrophobicContact CD1-CZ 3.77Å; L453-F494 HydrophobicContact CD1-CB 4.22Å; P461-F494 CarbonylContact C-O 3.58Å; P461-F494 VanDerWaalsContact CA-O 3.25Å; P461-F494 WeakPolarHBondContact CA-O 3.47Å; I462-F494 PolarHBondContact N-O 3.19Å; I462-F494 PolarHBondContact O-N 3.49Å; L464-F494 HydrophobicContact CB-CE2 4.17Å; L464-F494 HydrophobicContact CD1-CE2 3.91Å; F494-L550 HydrophobicContact CB-CD1 4.14Å; F494-L550 HydrophobicContact CD1-CD1 4.19Å; F494-L550 HydrophobicContact CD1-CD2 3.72Å; F494-L550 HydrophobicContact CD1-CG 3.9Å; F494-L550 HydrophobicContact CE1-CD2 4.04Å; F494-L551 WeakPolarHBondContact CA-O 3.45Å; F494-L552 HydrophobicContact CD1-CD1 4.04Å; F494-L552 HydrophobicContact CE1-CD1 3.67Å; F494-L552 HydrophobicContact CZ-CD1 3.99Å; F494-I581 HydrophobicContact CD1-CD1 4.19Å; F494-I581 HydrophobicContact CE1-CD1 3.83Å; F494-L587 HydrophobicContact CE1-CD1 3.58Å; F494-L587 HydrophobicContact CZ-CD1 3.77Å |
| 495 | C | 78.4 | Confident | 60.8 | Low | 35 Ų | 35 | 58.7 Ų | 58.7 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 155.3 | 162.2 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | P461 L551 | P461-C495 HydrophobicContact CB-CB 4.29Å; C495-L551 PolarHBondContact N-O 3.19Å; C495-L551 PolarHBondContact O-N 2.93Å |
| 496 | V | 76 | Confident | 58.4 | Low | 34 Ų | 34 | 60.3 Ų | 60.3 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.1 | 176.2 | 163.6 | 0 | 0 | 0 | 0 | 109.9 | L453 F454 Y548 L550 | L453-V496 HydrophobicContact CB-CG2 4.05Å; L453-V496 HydrophobicContact CD2-CB 4.31Å; L453-V496 HydrophobicContact CD2-CG2 4.12Å; L453-V496 WeakPolarHBondContact O-CB 3.4Å; L453-V496 VanDerWaalsContact O-CG2 3.25Å; L453-V496 WeakPolarHBondContact O-CG2 2.9Å; F454-V496 HydrophobicContact CD1-CG1 4.18Å; F454-V496 HydrophobicContact CD1-CG2 3.96Å; F454-V496 HydrophobicContact CD2-CG2 3.65Å; F454-V496 HydrophobicContact CE1-CG1 4.28Å; F454-V496 HydrophobicContact CE1-CG2 3.82Å; F454-V496 HydrophobicContact CE2-CG2 3.49Å; F454-V496 VanDerWaalsContact CE2-CG2 3.49Å; F454-V496 HydrophobicContact CG-CG2 3.88Å; F454-V496 HydrophobicContact CZ-CG2 3.58Å; V496-Y548 HydrophobicContact CG1-CD1 3.53Å; V496-Y548 HydrophobicContact CG1-CE1 4.48Å; V496-Y548 HydrophobicContact CG1-CG 4.16Å; V496-L550 HydrophobicContact CG2-CD1 4.25Å |
| 497 | V | 64.2 | Low | 55.8 | Low | 48 Ų | 48 | 64.5 Ų | 64.5 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.7 | -179.1 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | T499 S549 L551 L580 | V497-T499 PolarHBondContact O-N 3.31Å; V497-S549 PolarHBondContact N-O 2.82Å; V497-S549 PolarHBondContact O-N 2.9Å; V497-L551 HydrophobicContact CB-CB 4.35Å; V497-L551 HydrophobicContact CG2-CB 3.55Å; V497-L551 HydrophobicContact CG2-CD2 3.94Å; V497-L551 HydrophobicContact CG2-CG 4.31Å; V497-L580 HydrophobicContact CB-CD2 4.16Å; V497-L580 HydrophobicContact CG1-CD2 4.35Å |
| 498 | L | 53.4 | Low | 52.8 | Low | 52 Ų | 52 | 69 Ų | 69 | 27% | 0.272 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 107.4 | 171.5 | -70.6 | 167.8 | 0 | 0 | 0 | 109.4 | A546 Y548 N836 | L498-A546 HydrophobicContact CD2-CB 4.04Å; L498-Y548 HydrophobicContact CD2-CD1 3.54Å; L498-Y548 HydrophobicContact CD2-CE1 3.43Å; L498-Y548 VanDerWaalsContact CD2-CE1 3.43Å; L498-Y548 HydrophobicContact CD2-CG 4.19Å; L498-Y548 HydrophobicContact CG-CD1 4.29Å; L498-Y548 HydrophobicContact CG-CE1 4.25Å; L498-N836 WeakPolarHBondContact CD1-ND2 3.44Å |
| 499 | T | 46.2 | Very low | 50.2 | Low | 30 Ų | 30 | 71.8 Ų | 71.8 | 18% | 0.184 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.7 | 172.8 | 43.9 | 0 | 0 | 0 | 0 | 110.2 | V497 N547 S549 L580 | V497-T499 PolarHBondContact O-N 3.31Å; T499-N547 PolarHBondContact N-O 3.05Å; T499-N547 PolarHBondContact OG1-O 3.01Å; T499-S549 WeakPolarHBondContact OG1-CB 3.34Å; T499-S549 PolarHBondContact OG1-OG 2.9Å; T499-L580 HydrophobicContact CG2-CD1 3.63Å; T499-L580 HydrophobicContact CG2-CD2 3.91Å; T499-L580 HydrophobicContact CG2-CG 4.39Å |
| 500 | T | 36.7 | Very low | 47.7 | Very low | 112 Ų | 112 | 74.5 Ų | 74.5 | 69% | 0.687 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 134.3 | 158.4 | 45.5 | 0 | 0 | 0 | 0 | 108.3 | Q502 | T500-Q502 PolarHBondContact O-N 3.48Š|
| 501 | N | 30.2 | Very low | 45.1 | Very low | 113 Ų | 113 | 80.2 Ų | 80.2 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 125.5 | -179.5 | -70.3 | -25.6 | 0 | 0 | 0 | 109.7 | I503 N547 | N501-I503 PolarHBondContact O-N 2.98Å; N501-N547 PolarHBondContact ND2-ND2 2.96Å; N501-N547 PolarHBondContact OD1-ND2 3.4Å |
| 502 | Q | 27.2 | Very low | 42.1 | Very low | 126 Ų | 126 | 85.3 Ų | 85.3 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -65 | 122.6 | 162.4 | -67.4 | -175.8 | -16.6 | 0 | 0 | 107.6 | T500 T504 W531 | T500-Q502 PolarHBondContact O-N 3.48Å; Q502-T504 VanDerWaalsContact C-N 3.35Å; Q502-T504 PolarHBondContact O-N 2.87Å; Q502-W531 VanDerWaalsContact CD-CH2 3.42Å; Q502-W531 VanDerWaalsContact NE2-CZ3 3.32Å; Q502-W531 VanDerWaalsContact OE1-CZ2 3.28Å |
| 503 | I | 24 | Very low | 39 | Very low | 154 Ų | 154 | 92.2 Ų | 92.2 | 79% | 0.79 | 53% | 0.532 | S | S | * | . | trans | -74 | 94.8 | 170.9 | -60.3 | 174.2 | 0 | 0 | 0 | 106.9 | N501 T505 | N501-I503 PolarHBondContact O-N 2.98Å; I503-T505 PolarHBondContact O-N 3.33Å | ||
| 504 | T | 22.5 | Very low | 36 | Very low | 118 Ų | 118 | 97.5 Ų | 97.5 | 72% | 0.724 | 56% | 0.56 | S | S | * | * | trans | -62.6 | 116.1 | 159.6 | 12.2 | 0 | 0 | 0 | 0 | 107.7 | Q502 T506 | Q502-T504 VanDerWaalsContact C-N 3.35Å; Q502-T504 PolarHBondContact O-N 2.87Å; T504-T506 VanDerWaalsContact C-N 3.32Å; T504-T506 PolarHBondContact O-N 3.24Å | ||
| 505 | T | 20.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 103.2 Ų | 103.2 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | trans | -74.8 | 82.6 | 179.6 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | I503 | I503-T505 PolarHBondContact O-N 3.33Š| ||
| 506 | T | 21.1 | Very low | 30.1 | Very low | 120 Ų | 120 | 107.3 Ų | 107.3 | 74% | 0.736 | 61% | 0.614 | S | S | * | * | trans | -116.6 | 96.7 | 160.5 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | T504 S508 | T504-T506 VanDerWaalsContact C-N 3.32Å; T504-T506 PolarHBondContact O-N 3.24Å; T506-S508 PolarHBondContact O-N 3.41Å | ||
| 507 | T | 20.5 | Very low | 27.6 | Very low | 136 Ų | 136 | 110.9 Ų | 110.9 | 83% | 0.834 | 64% | 0.636 | S | S | * | * | trans | -68 | 110 | 174.7 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 508 | S | 20.5 | Very low | 25.5 | Very low | 97 Ų | 97 | 114.4 Ų | 114.4 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | trans | -163 | 90.6 | 160.9 | 53.4 | 0 | 0 | 0 | 0 | 108 | T506 | T506-S508 PolarHBondContact O-N 3.41Š| ||
| 509 | T | 20.8 | Very low | 24 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | 50.2 | 103 | 74.6 | 71 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 510 | V | 22.5 | Very low | 22.9 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 56% | 0.558 | 71% | 0.706 | S | S | * | * | trans | 58 | 105.1 | 141.8 | -172.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 511 | N | 22 | Very low | 22.2 | Very low | 154 Ų | 154 | 124.7 Ų | 124.7 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | -167.5 | 167.4 | 105.3 | -111.7 | -44.1 | 0 | 0 | 0 | 114.4 | |||||
| 512 | N | 20 | Very low | 21.7 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | trans | -96 | 168.4 | 170.4 | -75.2 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 513 | N | 21.2 | Very low | 21.5 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | trans | 82.1 | 155.6 | 164.1 | -59.6 | -6.1 | 0 | 0 | 0 | 119.3 | ||||
| 514 | D | 21.7 | Very low | 21.3 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 67.3 | 90.5 | 160.8 | -56.2 | -36.1 | 0 | 0 | 0 | 121.6 | ||||
| 515 | N | 20.8 | Very low | 21.4 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | 43.2 | 149.9 | 113.7 | -66.5 | -51.1 | 0 | 0 | 0 | 122.7 | |||||
| 516 | T | 21.4 | Very low | 21.4 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | 76.3 | 95.4 | 157.6 | 41.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 517 | T | 21.6 | Very low | 21.6 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | 63.4 | 122 | 125 | 55 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 518 | T | 22 | Very low | 21.6 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | trans | 84.3 | 115.1 | 135.1 | 46.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 519 | T | 22 | Very low | 21.7 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | trans | 82.1 | 129.6 | 134.5 | 50.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 520 | N | 21.8 | Very low | 21.7 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | trans | 63 | 117.6 | 147.4 | -60.1 | -6.4 | 0 | 0 | 0 | 120.7 | ||||
| 521 | N | 21.7 | Very low | 21.6 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | -166.2 | 169 | 82.8 | -118.3 | -36.4 | 0 | 0 | 0 | 114.8 | |||||
| 522 | N | 20.7 | Very low | 21.5 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -81.2 | 154.8 | 179.2 | -67.1 | -50.6 | 0 | 0 | 0 | 113.3 | ||||
| 523 | N | 22.8 | Very low | 21.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -154.9 | 138.7 | 147.9 | -125.9 | -34.9 | 0 | 0 | 0 | 112 | ||||
| 524 | T | 20.6 | Very low | 21.5 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | -139.4 | 127.1 | -169.4 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 525 | S | 23 | Very low | 21.4 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 147.6 | 156 | 141.7 | 63 | 0 | 0 | 0 | 0 | 115 | ||||
| 526 | N | 21.8 | Very low | 21.4 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 75% | 0.751 | S | S | * | * | trans | 52 | 107 | 151.2 | -57.1 | -21.8 | 0 | 0 | 0 | 118.5 | ||||
| 527 | T | 23.2 | Very low | 21.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | -171.9 | 165 | 64.5 | 38.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 528 | A | 21.1 | Very low | 21.5 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -95.2 | 116.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 529 | Q | 22.1 | Very low | 21.5 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | trans | -95.8 | 146.2 | 171.4 | -71.4 | -162.2 | -2.7 | 0 | 0 | 113.1 | ||||
| 530 | K | 21.3 | Very low | 21.7 | Very low | 208 Ų | 208 | 139.5 Ų | 139.5 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -101 | 97 | -171.8 | -176 | 177.5 | 179.5 | 177.8 | 0 | 110.3 | ||||
| 531 | W | 20.6 | Very low | 21.7 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | trans | -63.3 | 143.6 | -169.8 | -72.4 | 83.1 | 0 | 0 | 0 | 114.7 | Q502 | Q502-W531 VanDerWaalsContact CD-CH2 3.42Å; Q502-W531 VanDerWaalsContact NE2-CZ3 3.32Å; Q502-W531 VanDerWaalsContact OE1-CZ2 3.28Å | ||
| 532 | K | 20.3 | Very low | 22 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -138.6 | 131 | 179.2 | -146.6 | -179.9 | -174.3 | -175 | 0 | 107.5 | P534 | K532-P534 WeakPolarHBondContact O-CD 3.24Š| ||
| 533 | L | 19.9 | Very low | 22.3 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -73.7 | 128.4 | -167.8 | -79.2 | 73.4 | 0 | 0 | 0 | 113.1 | ||||
| 534 | P | 20.9 | Very low | 22.5 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -75 | 174.4 | 161 | -13.1 | 30.8 | 0 | 0 | 0 | 112.2 | K532 | K532-P534 WeakPolarHBondContact O-CD 3.24Š| ||
| 535 | K | 19.5 | Very low | 22.8 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -123 | 148.7 | 179.2 | -61.4 | 179.6 | -179.1 | -179.6 | 0 | 111.2 | ||||
| 536 | S | 20.3 | Very low | 23.3 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 50.5 | 118.7 | 155.7 | 57.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 537 | V | 23.4 | Very low | 24.3 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | -176.4 | 174.7 | 126.2 | 146.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 538 | S | 22.5 | Very low | 25.9 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | trans | -79.2 | 173.2 | -156.9 | 46.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 539 | T | 22.5 | Very low | 28.1 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | trans | -81.6 | 137.1 | -172.4 | 47.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 540 | P | 25.2 | Very low | 30.9 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 72% | 0.721 | 65% | 0.647 | S | S | * | * | trans | -105.6 | 166.5 | 147.4 | 37.1 | -29.7 | 0 | 0 | 0 | 112 | ||||
| 541 | D | 23 | Very low | 33.9 | Very low | 140 Ų | 140 | 114.6 Ų | 114.6 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | trans | -66.3 | 134.3 | -169.1 | -59.2 | -77.6 | 0 | 0 | 0 | 115.6 | ||||
| 542 | L | 26.7 | Very low | 37.1 | Very low | 145 Ų | 145 | 105.7 Ų | 105.7 | 76% | 0.759 | 58% | 0.58 | S | S | * | * | trans | -111.7 | 37.7 | -169.7 | -146.6 | 83.5 | 0 | 0 | 0 | 114.8 | N544 | L542-N544 PolarHBondContact O-N 3.07Š| ||
| 543 | E | 28.5 | Very low | 40.2 | Very low | 153 Ų | 153 | 98.9 Ų | 98.9 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | trans | -70.5 | -12.5 | 162.1 | -72.8 | -169.2 | 168.7 | 0 | 0 | 112.1 | F545 | E543-F545 PolarHBondContact O-N 3.21Š| ||
| 544 | N | 26.1 | Very low | 43.2 | Very low | 108 Ų | 108 | 90.9 Ų | 90.9 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -79.8 | 98 | 174.9 | -86.9 | -68.2 | 0 | 0 | 0 | 112.6 | L542 | L542-N544 PolarHBondContact O-N 3.07Š|
| 545 | F | 26.9 | Very low | 45.8 | Very low | 122 Ų | 122 | 85.5 Ų | 85.5 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | trans | 34.1 | 96.1 | 150.6 | -61.8 | -84.3 | 0 | 0 | 0 | 117 | E543 N547 | E543-F545 PolarHBondContact O-N 3.21Å; F545-N547 PolarHBondContact O-N 2.87Å | ||
| 546 | A | 32.4 | Very low | 47.9 | Very low | 65 Ų | 65 | 82.6 Ų | 82.6 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | trans | -64.9 | 102.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L498 Y548 | L498-A546 HydrophobicContact CD2-CB 4.04Å; A546-Y548 WeakPolarHBondContact O-CD2 3.44Å; A546-Y548 PolarHBondContact O-N 3.13Å | ||
| 547 | N | 42.9 | Very low | 49.2 | Very low | 61 Ų | 61 | 83.2 Ų | 83.2 | 33% | 0.326 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 104.6 | 180 | -83 | -21.7 | 0 | 0 | 0 | 110.5 | T499 N501 F545 S549 | T499-N547 PolarHBondContact N-O 3.05Å; T499-N547 PolarHBondContact OG1-O 3.01Å; N501-N547 PolarHBondContact ND2-ND2 2.96Å; N501-N547 PolarHBondContact OD1-ND2 3.4Å; F545-N547 PolarHBondContact O-N 2.87Å; N547-S549 PolarHBondContact O-N 2.77Å |
| 548 | Y | 58.4 | Low | 50 | Low | 80 Ų | 80 | 78.3 Ų | 78.3 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 121.5 | 165.6 | -61.7 | -87.4 | 0 | 0 | 0 | 109.3 | F454 V496 L498 A546 Q599 | F454-Y548 HydrophobicContact CD1-CG 4.12Å; V496-Y548 HydrophobicContact CG1-CD1 3.53Å; V496-Y548 HydrophobicContact CG1-CE1 4.48Å; V496-Y548 HydrophobicContact CG1-CG 4.16Å; L498-Y548 HydrophobicContact CD2-CD1 3.54Å; L498-Y548 HydrophobicContact CD2-CE1 3.43Å; L498-Y548 VanDerWaalsContact CD2-CE1 3.43Å; L498-Y548 HydrophobicContact CD2-CG 4.19Å; L498-Y548 HydrophobicContact CG-CD1 4.29Å; L498-Y548 HydrophobicContact CG-CE1 4.25Å; A546-Y548 WeakPolarHBondContact O-CD2 3.44Å; A546-Y548 PolarHBondContact O-N 3.13Å; Y548-Q599 PolarHBondContact O-NE2 2.72Å |
| 549 | S | 66.8 | Low | 50.8 | Low | 24 Ų | 24 | 83.3 Ų | 83.3 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 155.5 | 174.6 | -70.1 | 0 | 0 | 0 | 0 | 110.5 | V497 T499 N547 | V497-S549 PolarHBondContact N-O 2.82Å; V497-S549 PolarHBondContact O-N 2.9Å; T499-S549 WeakPolarHBondContact OG1-CB 3.34Å; T499-S549 PolarHBondContact OG1-OG 2.9Å; N547-S549 PolarHBondContact O-N 2.77Å |
| 550 | L | 80.7 | Confident | 51.3 | Low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 112.6 | -176.8 | -171 | 66.4 | 0 | 0 | 0 | 110.3 | L450 L453 F494 V496 I581 Y597 | L450-L550 HydrophobicContact CD1-CD1 4.32Å; L450-L550 HydrophobicContact CD1-CD2 3.76Å; L453-L550 HydrophobicContact CD1-CD1 4.44Å; F494-L550 HydrophobicContact CB-CD1 4.14Å; F494-L550 HydrophobicContact CD1-CD1 4.19Å; F494-L550 HydrophobicContact CD1-CD2 3.72Å; F494-L550 HydrophobicContact CD1-CG 3.9Å; F494-L550 HydrophobicContact CE1-CD2 4.04Å; V496-L550 HydrophobicContact CG2-CD1 4.25Å; L550-I581 HydrophobicContact CB-CB 4.33Å; L550-I581 HydrophobicContact CB-CD1 4.38Å; L550-I581 HydrophobicContact CD2-CD1 3.79Å; L550-I581 HydrophobicContact CG-CD1 4.02Å; L550-I581 WeakPolarHBondContact O-CB 3.42Å; L550-I581 PolarHBondContact O-N 2.81Å; L550-Y597 HydrophobicContact CB-CE1 4.36Å; L550-Y597 HydrophobicContact CB-CE2 4.24Å; L550-Y597 HydrophobicContact CD2-CD2 3.67Å; L550-Y597 HydrophobicContact CD2-CE2 3.79Å; L550-Y597 HydrophobicContact CD2-CG 4.19Å |
| 551 | L | 84.8 | Confident | 51.9 | Low | 40 Ų | 40 | 83.8 Ų | 83.8 | 21% | 0.209 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 120.6 | 174.2 | -176.7 | 74.1 | 0 | 0 | 0 | 110 | F494 C495 V497 P578 L580 | F494-L551 WeakPolarHBondContact CA-O 3.45Å; C495-L551 PolarHBondContact N-O 3.19Å; C495-L551 PolarHBondContact O-N 2.93Å; V497-L551 HydrophobicContact CB-CB 4.35Å; V497-L551 HydrophobicContact CG2-CB 3.55Å; V497-L551 HydrophobicContact CG2-CD2 3.94Å; V497-L551 HydrophobicContact CG2-CG 4.31Å; L551-P578 HydrophobicContact CD1-CB 4.07Å; L551-L580 HydrophobicContact CB-CD2 4.16Å; L551-L580 HydrophobicContact CD1-CD2 4.07Å; L551-L580 HydrophobicContact CD1-CG 4.12Å |
| 552 | L | 87.9 | Confident | 52.8 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.1 | 173.5 | 176.6 | 68.1 | 0 | 0 | 0 | 110.1 | C492 F494 I568 V570 P578 I579 I581 L587 | C492-L552 HydrophobicContact CB-CD1 3.68Å; F494-L552 HydrophobicContact CD1-CD1 4.04Å; F494-L552 HydrophobicContact CE1-CD1 3.67Å; F494-L552 HydrophobicContact CZ-CD1 3.99Å; L552-I568 HydrophobicContact CD2-CG2 3.73Å; L552-V570 HydrophobicContact CD2-CG2 3.75Å; L552-P578 CarbonylContact O-C 3.34Å; L552-P578 WeakPolarHBondContact O-CA 3.25Å; L552-I579 HydrophobicContact CB-CG2 4.06Å; L552-I579 HydrophobicContact CD2-CG2 4.23Å; L552-I579 PolarHBondContact N-O 3.2Å; L552-I579 PolarHBondContact O-N 2.96Å; L552-I581 HydrophobicContact CB-CD1 3.62Å; L552-I581 HydrophobicContact CB-CG1 3.85Å; L552-I581 HydrophobicContact CD2-CD1 4.24Å; L552-I581 HydrophobicContact CD2-CG1 4.45Å; L552-I581 HydrophobicContact CG-CD1 4.39Å; L552-L587 HydrophobicContact CD2-CD2 4.28Å |
| 553 | T | 84.1 | Confident | 53.4 | Low | 47 Ų | 47 | 79.7 Ų | 79.7 | 29% | 0.288 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.8 | 171.4 | -61.2 | 0 | 0 | 0 | 0 | 110 | C492 T493 P578 | C492-T553 WeakPolarHBondContact CA-O 3.33Å; T493-T553 PolarHBondContact N-O 3.35Å; T493-T553 PolarHBondContact O-N 2.8Å; T553-P578 HydrophobicContact CG2-CG 4.23Å |
| 554 | P | 82.9 | Confident | 54.6 | Low | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.013 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 135.5 | 167.6 | -22.3 | 33.6 | 0 | 0 | 0 | 110.9 | L556 I568 V575 G577 | P554-L556 PolarHBondContact O-N 2.89Å; P554-I568 HydrophobicContact CB-CD1 3.77Å; P554-I568 HydrophobicContact CG-CD1 4.08Å; P554-V575 HydrophobicContact CG-CG1 3.79Å; P554-G577 VanDerWaalsContact CD-C 3.47Å; P554-G577 WeakPolarHBondContact CD-O 3.35Å |
| 555 | S | 77.1 | Confident | 56.3 | Low | 7 Ų | 7 | 72 Ų | 72 | 5% | 0.049 | 42% | 0.417 | C | S | . | . | trans | -71.3 | 116.7 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | R488 V490 H491 | R488-S555 VanDerWaalsContact NH2-CB 3.32Å; R488-S555 PolarHBondContact NH2-O 3.24Å; R488-S555 PolarHBondContact NH2-OG 2.99Å; V490-S555 WeakPolarHBondContact O-CB 3.34Å; V490-S555 PolarHBondContact O-OG 3.5Å; V490-S555 VanDerWaalsContact O-OG 3.05Å; H491-S555 VanDerWaalsContact O-CB 3.29Å; H491-S555 WeakPolarHBondContact O-CB 3.32Å; H491-S555 PolarHBondContact O-N 3.43Å | ||
| 556 | L | 63.2 | Low | 58.3 | Low | 130 Ų | 130 | 66.3 Ų | 66.3 | 68% | 0.681 | 39% | 0.392 | S | S | * | . | trans | -84.8 | -15.6 | 173.1 | -63 | 176.2 | 0 | 0 | 0 | 112.2 | P554 P565 | P554-L556 PolarHBondContact O-N 2.89Å; L556-P565 HydrophobicContact CD2-CB 4.23Å | ||
| 557 | D | 46.9 | Very low | 60.5 | Low | 123 Ų | 123 | 66.9 Ų | 66.9 | 66% | 0.658 | 39% | 0.386 | S | S | * | . | trans | -74.2 | 135.1 | -175.5 | -59.5 | -39.7 | 0 | 0 | 0 | 111.8 | ||||
| 558 | G | 39.5 | Very low | 62.5 | Low | 45 Ų | 45 | 64 Ų | 64 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | trans | 167.8 | 82.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 559 | F | 39.8 | Very low | 63.8 | Low | 211 Ų | 211 | 65 Ų | 65 | 93% | 0.925 | 37% | 0.374 | S | S | * | . | trans | -43.4 | 141.6 | 176.4 | -65.5 | -102 | 0 | 0 | 0 | 114 | ||||
| 560 | A | 33.2 | Very low | 64.8 | Low | 88 Ų | 88 | 64.5 Ų | 64.5 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 79.2 | 146 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 561 | K | 38 | Very low | 64.9 | Low | 169 Ų | 169 | 68.4 Ų | 68.4 | 74% | 0.735 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -67.8 | 139.4 | -177.3 | -70.4 | 175.9 | 177.6 | 170.5 | 0 | 111.8 | N326 | N326-K561 PolarHBondContact ND2-NZ 2.87Š|
| 562 | P | 41.8 | Very low | 64.8 | Low | 114 Ų | 114 | 68.5 Ų | 68.5 | 74% | 0.74 | 40% | 0.401 | S | S | * | . | -134.2 | 105.2 | -54.4 | 29.2 | -10.6 | 0 | 0 | 0 | 110.6 | G564 | P562-G564 PolarHBondContact O-N 3.07Š| |||
| 563 | P | 39.7 | Very low | 64.5 | Low | 85 Ų | 85 | 71.6 Ų | 71.6 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -66 | 127.9 | 160.6 | 29.4 | -31.4 | 0 | 0 | 0 | 108.2 | ||
| 564 | G | 53 | Low | 64.4 | Low | 49 Ų | 49 | 74.9 Ų | 74.9 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 171.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P562 A566 | P562-G564 PolarHBondContact O-N 3.07Å; G564-A566 PolarHBondContact O-N 3.38Å |
| 565 | P | 61.9 | Low | 64.3 | Low | 51 Ų | 51 | 75.1 Ų | 75.1 | 33% | 0.331 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -54.4 | 139.6 | 178.5 | 23.3 | -33.4 | 0 | 0 | 0 | 110.3 | L556 L567 R574 T576 | L556-P565 HydrophobicContact CD2-CB 4.23Å; P565-L567 PolarHBondContact O-N 2.78Å; P565-R574 PolarHBondContact O-NH2 3.28Å; P565-T576 HydrophobicContact CG-CG2 4.21Å |
| 566 | A | 69.8 | Low | 64.3 | Low | 2 Ų | 2 | 78.8 Ų | 78.8 | 2% | 0.017 | 45% | 0.451 | C | S | . | . | trans | -40.5 | 135.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H491 G564 I568 | H491-A566 WeakPolarHBondContact O-CB 3.43Å; G564-A566 PolarHBondContact O-N 3.38Å; A566-I568 VanDerWaalsContact C-N 3.3Å; A566-I568 HydrophobicContact CB-CD1 4.06Å; A566-I568 HydrophobicContact CB-CG1 3.96Å; A566-I568 PolarHBondContact O-N 2.91Å | ||
| 567 | L | 77.8 | Confident | 64.9 | Low | 77 Ų | 77 | 73.9 Ų | 73.9 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | trans | -66.8 | 97.3 | 171.5 | -96.3 | 163.1 | 0 | 0 | 0 | 107.8 | H491 P565 G590 | H491-L567 PolarHBondContact NE2-O 3.28Å; H491-L567 VanDerWaalsContact NE2-O 3.13Å; P565-L567 PolarHBondContact O-N 2.78Å; L567-G590 WeakPolarHBondContact O-CA 3.5Å; L567-G590 PolarHBondContact O-N 2.95Å | ||
| 568 | I | 86.2 | Confident | 66.4 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.7 | 175.8 | -62.1 | -174.9 | 0 | 0 | 0 | 106.5 | C492 L552 P554 A566 R574 V575 Q588 L589 | C492-I568 HydrophobicContact CB-CD1 3.54Å; L552-I568 HydrophobicContact CD2-CG2 3.73Å; P554-I568 HydrophobicContact CB-CD1 3.77Å; P554-I568 HydrophobicContact CG-CD1 4.08Å; A566-I568 VanDerWaalsContact C-N 3.3Å; A566-I568 HydrophobicContact CB-CD1 4.06Å; A566-I568 HydrophobicContact CB-CG1 3.96Å; A566-I568 PolarHBondContact O-N 2.91Å; I568-R574 WeakPolarHBondContact O-CA 3.36Å; I568-V575 HydrophobicContact CG2-CB 4.15Å; I568-V575 PolarHBondContact O-N 3Å; I568-Q588 WeakPolarHBondContact CA-O 3.49Å; I568-L589 HydrophobicContact CB-CD2 4.43Å; I568-L589 HydrophobicContact CD1-CD2 4.13Å; I568-L589 HydrophobicContact CG1-CD2 3.87Å; I568-L589 HydrophobicContact CG2-CD2 4.07Å |
| 569 | R | 85.1 | Confident | 68.6 | Low | 101 Ų | 101 | 73.1 Ų | 73.1 | 38% | 0.381 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.1 | 167.4 | -68.1 | 157.9 | 175.5 | -97.8 | 14.1 | 109.4 | G572 T573 R574 L587 Q588 | R569-G572 WeakPolarHBondContact CD-O 3.47Å; R569-G572 WeakPolarHBondContact CG-O 3Å; R569-G572 PolarHBondContact NH1-O 3.48Å; R569-T573 CarbonylContact C-O 3.46Å; R569-T573 WeakPolarHBondContact CA-O 2.91Å; R569-T573 WeakPolarHBondContact CB-O 3.48Å; R569-R574 HydrophobicContact CG-CB 4.05Å; R569-R574 HydrophobicContact CG-CG 4.48Å; R569-L587 CarbonylContact O-C 3.51Å; R569-L587 WeakPolarHBondContact O-CA 3.4Å; R569-Q588 HydrophobicContact CB-CB 4.19Å; R569-Q588 PolarHBondContact N-O 2.79Å; R569-Q588 PolarHBondContact O-N 2.86Å |
| 570 | V | 88.1 | Confident | 70.6 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | L552 G572 T573 V575 I579 A585 I586 L587 | L552-V570 HydrophobicContact CD2-CG2 3.75Å; V570-G572 VanDerWaalsContact C-N 3.25Å; V570-G572 PolarHBondContact O-N 2.85Å; V570-T573 PolarHBondContact N-O 3.05Å; V570-T573 WeakPolarHBondContact O-CB 3.46Å; V570-T573 PolarHBondContact O-N 3.01Å; V570-V575 HydrophobicContact CB-CG2 4.05Å; V570-V575 HydrophobicContact CG2-CG2 3.75Å; V570-I579 HydrophobicContact CG2-CG2 4.12Å; V570-A585 HydrophobicContact CG1-CB 4.2Å; V570-I586 WeakPolarHBondContact CA-O 3.49Å; V570-L587 HydrophobicContact CB-CD2 4.47Å; V570-L587 HydrophobicContact CG1-CD2 4.15Å; V570-L587 HydrophobicContact CG2-CD2 3.77Å |
| 571 | N | 83.2 | Confident | 72.8 | Confident | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 48.9 | -171.4 | -59.9 | -17.6 | 0 | 0 | 0 | 111.6 | T573 A585 I586 | N571-T573 PolarHBondContact O-N 2.8Å; N571-A585 VanDerWaalsContact OD1-CA 3.22Å; N571-A585 WeakPolarHBondContact OD1-CA 3.39Å; N571-A585 WeakPolarHBondContact OD1-CB 3.37Å; N571-I586 PolarHBondContact N-O 2.82Å; N571-I586 PolarHBondContact OD1-N 3.31Å |
| 572 | G | 81.6 | Confident | 74.6 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | -20.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R569 V570 | R569-G572 WeakPolarHBondContact CD-O 3.47Å; R569-G572 WeakPolarHBondContact CG-O 3Å; R569-G572 PolarHBondContact NH1-O 3.48Å; V570-G572 VanDerWaalsContact C-N 3.25Å; V570-G572 PolarHBondContact O-N 2.85Å |
| 573 | T | 82.1 | Confident | 76 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 125 | -177.9 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | R569 V570 N571 V575 | R569-T573 CarbonylContact C-O 3.46Å; R569-T573 WeakPolarHBondContact CA-O 2.91Å; R569-T573 WeakPolarHBondContact CB-O 3.48Å; V570-T573 PolarHBondContact N-O 3.05Å; V570-T573 WeakPolarHBondContact O-CB 3.46Å; V570-T573 PolarHBondContact O-N 3.01Å; N571-T573 PolarHBondContact O-N 2.8Å; T573-V575 PolarHBondContact O-N 3.22Å |
| 574 | R | 82.1 | Confident | 77.8 | Confident | 116 Ų | 116 | 54.6 Ų | 54.6 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 132 | -178 | -171.1 | -175.5 | 178.1 | -160.1 | 1.8 | 111.4 | P565 I568 R569 | P565-R574 PolarHBondContact O-NH2 3.28Å; I568-R574 WeakPolarHBondContact O-CA 3.36Å; R569-R574 HydrophobicContact CG-CB 4.05Å; R569-R574 HydrophobicContact CG-CG 4.48Å |
| 575 | V | 79.6 | Confident | 79.2 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | trans | -111.4 | 125.7 | -177.6 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | P554 I568 V570 T573 G577 I579 | P554-V575 HydrophobicContact CG-CG1 3.79Å; I568-V575 HydrophobicContact CG2-CB 4.15Å; I568-V575 PolarHBondContact O-N 3Å; V570-V575 HydrophobicContact CB-CG2 4.05Å; V570-V575 HydrophobicContact CG2-CG2 3.75Å; T573-V575 PolarHBondContact O-N 3.22Å; V575-G577 WeakPolarHBondContact CG1-O 3.49Å; V575-I579 HydrophobicContact CB-CG2 4.47Å; V575-I579 HydrophobicContact CG1-CB 3.96Å; V575-I579 HydrophobicContact CG1-CG2 3.61Å; V575-I579 HydrophobicContact CG2-CD1 3.87Å; V575-I579 HydrophobicContact CG2-CG2 4.08Å | ||
| 576 | T | 77.4 | Confident | 80.4 | Confident | 83 Ų | 83 | 51 Ų | 51 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | trans | -120.1 | 1.5 | -177.3 | 55.9 | 0 | 0 | 0 | 0 | 114 | P565 | P565-T576 HydrophobicContact CG-CG2 4.21Š| ||
| 577 | G | 75.5 | Confident | 81.3 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -154.1 | -177.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P554 V575 I579 | P554-G577 VanDerWaalsContact CD-C 3.47Å; P554-G577 WeakPolarHBondContact CD-O 3.35Å; V575-G577 WeakPolarHBondContact CG1-O 3.49Å; G577-I579 PolarHBondContact O-N 3.25Å |
| 578 | P | 79.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 49 Ų | 49 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | trans | -57.7 | 135.1 | -177.2 | -23.9 | 33.7 | 0 | 0 | 0 | 113.1 | L551 L552 T553 | L551-P578 HydrophobicContact CD1-CB 4.07Å; L552-P578 CarbonylContact O-C 3.34Å; L552-P578 WeakPolarHBondContact O-CA 3.25Å; T553-P578 HydrophobicContact CG2-CG 4.23Å | ||
| 579 | I | 85.5 | Confident | 81.8 | Confident | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142.4 | 178.2 | -162.5 | 170.4 | 0 | 0 | 0 | 111.1 | L552 V570 V575 G577 | L552-I579 HydrophobicContact CB-CG2 4.06Å; L552-I579 HydrophobicContact CD2-CG2 4.23Å; L552-I579 PolarHBondContact N-O 3.2Å; L552-I579 PolarHBondContact O-N 2.96Å; V570-I579 HydrophobicContact CG2-CG2 4.12Å; V575-I579 HydrophobicContact CB-CG2 4.47Å; V575-I579 HydrophobicContact CG1-CB 3.96Å; V575-I579 HydrophobicContact CG1-CG2 3.61Å; V575-I579 HydrophobicContact CG2-CD1 3.87Å; V575-I579 HydrophobicContact CG2-CG2 4.08Å; G577-I579 PolarHBondContact O-N 3.25Å |
| 580 | L | 81 | Confident | 81.7 | Confident | 85 Ų | 85 | 44.4 Ų | 44.4 | 45% | 0.445 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.9 | 171.2 | -71.2 | 161.6 | 0 | 0 | 0 | 109.7 | V497 T499 L551 | V497-L580 HydrophobicContact CB-CD2 4.16Å; V497-L580 HydrophobicContact CG1-CD2 4.35Å; T499-L580 HydrophobicContact CG2-CD1 3.63Å; T499-L580 HydrophobicContact CG2-CD2 3.91Å; T499-L580 HydrophobicContact CG2-CG 4.39Å; L551-L580 HydrophobicContact CB-CD2 4.16Å; L551-L580 HydrophobicContact CD1-CD2 4.07Å; L551-L580 HydrophobicContact CD1-CG 4.12Å |
| 581 | I | 80.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.1 | 175.9 | -54.5 | 164.9 | 0 | 0 | 0 | 108.7 | F494 L550 L552 A585 L587 Y597 | F494-I581 HydrophobicContact CD1-CD1 4.19Å; F494-I581 HydrophobicContact CE1-CD1 3.83Å; L550-I581 HydrophobicContact CB-CB 4.33Å; L550-I581 HydrophobicContact CB-CD1 4.38Å; L550-I581 HydrophobicContact CD2-CD1 3.79Å; L550-I581 HydrophobicContact CG-CD1 4.02Å; L550-I581 WeakPolarHBondContact O-CB 3.42Å; L550-I581 PolarHBondContact O-N 2.81Å; L552-I581 HydrophobicContact CB-CD1 3.62Å; L552-I581 HydrophobicContact CB-CG1 3.85Å; L552-I581 HydrophobicContact CD2-CD1 4.24Å; L552-I581 HydrophobicContact CD2-CG1 4.45Å; L552-I581 HydrophobicContact CG-CD1 4.39Å; I581-A585 HydrophobicContact CG2-CB 3.74Å; I581-L587 HydrophobicContact CD1-CD1 3.66Å; I581-L587 HydrophobicContact CD1-CD2 3.62Å; I581-L587 HydrophobicContact CD1-CG 4.28Å; I581-L587 HydrophobicContact CG1-CD2 3.83Å; I581-L587 HydrophobicContact CG2-CD2 3.86Å; I581-Y597 HydrophobicContact CB-CD1 4.42Å; I581-Y597 HydrophobicContact CG2-CD1 3.69Å; I581-Y597 HydrophobicContact CG2-CG 4.09Å |
| 582 | S | 75 | Confident | 80.9 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 49% | 0.49 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 154.2 | 169.2 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | A585 Y597 | S582-A585 WeakPolarHBondContact O-CB 3.29Å; S582-A585 PolarHBondContact O-N 3.37Å; S582-Y597 WeakPolarHBondContact O-CD1 3.46Å |
| 583 | N | 72.7 | Confident | 81.2 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 148.7 | 171.2 | -167.6 | 9 | 0 | 0 | 0 | 112.6 | A585 Q599 | N583-A585 PolarHBondContact O-N 3.25Å; N583-A585 VanDerWaalsContact O-N 3.12Å; N583-Q599 HydrophobicContact CB-CB 4.1Å; N583-Q599 PolarHBondContact ND2-O 2.85Å; N583-Q599 PolarHBondContact OD1-N 3.38Å; N583-Q599 PolarHBondContact OD1-O 2.81Å |
| 584 | N | 77.8 | Confident | 81.5 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | -0.2 | -173.6 | -83.9 | -55 | 0 | 0 | 0 | 116.6 | K596 Y597 | N584-K596 WeakPolarHBondContact O-CE 3.43Å; N584-K596 WeakPolarHBondContact OD1-CE 3.49Å; N584-K596 PolarHBondContact OD1-NZ 3.46Å; N584-K596 VanDerWaalsContact OD1-NZ 3.15Å; N584-Y597 CarbonylContact C-O 3.58Å; N584-Y597 WeakPolarHBondContact CA-O 3.22Å; N584-Y597 PolarHBondContact N-O 2.88Å |
| 585 | A | 82.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -68.4 | 146.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V570 N571 I581 S582 N583 Y597 | V570-A585 HydrophobicContact CG1-CB 4.2Å; N571-A585 VanDerWaalsContact OD1-CA 3.22Å; N571-A585 WeakPolarHBondContact OD1-CA 3.39Å; N571-A585 WeakPolarHBondContact OD1-CB 3.37Å; I581-A585 HydrophobicContact CG2-CB 3.74Å; S582-A585 WeakPolarHBondContact O-CB 3.29Å; S582-A585 PolarHBondContact O-N 3.37Å; N583-A585 PolarHBondContact O-N 3.25Å; N583-A585 VanDerWaalsContact O-N 3.12Å; A585-Y597 PolarHBondContact O-N 2.9Å | ||
| 586 | I | 85.1 | Confident | 82.2 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.3 | -176.4 | -60.3 | 174 | 0 | 0 | 0 | 109.5 | V433 H439 V570 N571 Y594 K596 | V433-I586 HydrophobicContact CG2-CG2 4.36Å; H439-I586 HydrophobicContact CB-CD1 3.97Å; H439-I586 WeakPolarHBondContact CD2-CD1 3.43Å; H439-I586 VanDerWaalsContact CG-CD1 3.44Å; V570-I586 WeakPolarHBondContact CA-O 3.49Å; N571-I586 PolarHBondContact N-O 2.82Å; N571-I586 PolarHBondContact OD1-N 3.31Å; I586-Y594 HydrophobicContact CG2-CD1 4.45Å; I586-K596 HydrophobicContact CG1-CB 4.28Å; I586-K596 HydrophobicContact CG1-CD 4.42Å; I586-K596 HydrophobicContact CG1-CG 4.07Å |
| 587 | L | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 102.3 | 178.9 | -41.3 | -179.6 | 0 | 0 | 0 | 108.5 | L430 F494 L552 R569 V570 I581 L589 Y594 L595 | L430-L587 HydrophobicContact CD2-CD1 3.64Å; L430-L587 HydrophobicContact CD2-CG 4.46Å; F494-L587 HydrophobicContact CE1-CD1 3.58Å; F494-L587 HydrophobicContact CZ-CD1 3.77Å; L552-L587 HydrophobicContact CD2-CD2 4.28Å; R569-L587 CarbonylContact O-C 3.51Å; R569-L587 WeakPolarHBondContact O-CA 3.4Å; V570-L587 HydrophobicContact CB-CD2 4.47Å; V570-L587 HydrophobicContact CG1-CD2 4.15Å; V570-L587 HydrophobicContact CG2-CD2 3.77Å; I581-L587 HydrophobicContact CD1-CD1 3.66Å; I581-L587 HydrophobicContact CD1-CD2 3.62Å; I581-L587 HydrophobicContact CD1-CG 4.28Å; I581-L587 HydrophobicContact CG1-CD2 3.83Å; I581-L587 HydrophobicContact CG2-CD2 3.86Å; L587-L589 HydrophobicContact CB-CG 4.47Å; L587-L589 PolarHBondContact O-N 3.44Å; L587-Y594 WeakPolarHBondContact O-CA 3.24Å; L587-L595 HydrophobicContact CB-CB 4.36Å; L587-L595 WeakPolarHBondContact CB-O 3.38Å; L587-L595 PolarHBondContact N-O 2.94Å; L587-L595 PolarHBondContact O-N 2.88Å |
| 588 | Q | 87.4 | Confident | 82.6 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.2 | 167 | -177.6 | -179 | 18.9 | 0 | 0 | 108.3 | I568 R569 L593 Y594 | I568-Q588 WeakPolarHBondContact CA-O 3.49Å; R569-Q588 HydrophobicContact CB-CB 4.19Å; R569-Q588 PolarHBondContact N-O 2.79Å; R569-Q588 PolarHBondContact O-N 2.86Å; Q588-L593 WeakPolarHBondContact CA-O 3.29Å; Q588-Y594 HydrophobicContact CB-CD1 3.81Å; Q588-Y594 HydrophobicContact CB-CE1 3.84Å; Q588-Y594 VanDerWaalsContact CD-CE1 3.46Å; Q588-Y594 HydrophobicContact CG-CD1 3.85Å; Q588-Y594 HydrophobicContact CG-CE1 3.47Å; Q588-Y594 VanDerWaalsContact CG-CE1 3.47Å; Q588-Y594 PolarHBondContact NE2-OH 3.5Å |
| 589 | L | 86.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 98.4 | -179.2 | -63.4 | -177.3 | 0 | 0 | 0 | 108.6 | L464 I487 I568 L587 L593 L595 | L464-L589 HydrophobicContact CD1-CD1 4.09Å; L464-L589 HydrophobicContact CD2-CD1 3.63Å; I487-L589 HydrophobicContact CD1-CB 4.46Å; I568-L589 HydrophobicContact CB-CD2 4.43Å; I568-L589 HydrophobicContact CD1-CD2 4.13Å; I568-L589 HydrophobicContact CG1-CD2 3.87Å; I568-L589 HydrophobicContact CG2-CD2 4.07Å; L587-L589 HydrophobicContact CB-CG 4.47Å; L587-L589 PolarHBondContact O-N 3.44Å; L589-L593 HydrophobicContact CB-CB 4.35Å; L589-L593 HydrophobicContact CB-CD2 4.34Å; L589-L593 HydrophobicContact CD1-CD2 4.29Å; L589-L593 PolarHBondContact N-O 2.83Å; L589-L595 HydrophobicContact CD1-CD1 3.78Å; L589-L595 HydrophobicContact CD1-CG 4.45Å |
| 590 | G | 82.5 | Confident | 80.1 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -127.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D486 H491 L567 | D486-G590 VanDerWaalsContact OD2-CA 3.31Å; D486-G590 WeakPolarHBondContact OD2-CA 3.47Å; H491-G590 PolarHBondContact NE2-N 3.32Å; L567-G590 WeakPolarHBondContact O-CA 3.5Å; L567-G590 PolarHBondContact O-N 2.95Å |
| 591 | K | 77.3 | Confident | 78 | Confident | 148 Ų | 148 | 39 Ų | 39 | 64% | 0.643 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -32.2 | 170.2 | -65.2 | -178.1 | 178.4 | -178.4 | 0 | 111.6 | D486 Y594 | D486-K591 PolarHBondContact OD2-N 2.9Å; K591-Y594 VanDerWaalsContact O-CE2 3.32Å; K591-Y594 WeakPolarHBondContact O-CE2 3.4Å; K591-Y594 PolarHBondContact O-OH 3.41Å; K591-Y594 VanDerWaalsContact O-OH 3.11Å |
| 592 | T | 77.7 | Confident | 75.6 | Confident | 60 Ų | 60 | 45 Ų | 45 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -38.3 | -165.9 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | H484 D486 Y594 | H484-T592 WeakPolarHBondContact CB-OG1 3.24Å; H484-T592 PolarHBondContact ND1-OG1 3.38Å; H484-T592 VanDerWaalsContact ND1-OG1 3.07Å; D486-T592 WeakPolarHBondContact OD1-CB 3.27Å; D486-T592 WeakPolarHBondContact OD1-CG2 3.5Å; D486-T592 PolarHBondContact OD1-OG1 3.21Å; D486-T592 PolarHBondContact OD2-N 3.34Å; D486-T592 VanDerWaalsContact OD2-N 3.16Å; D486-T592 PolarHBondContact OD2-OG1 2.91Å; T592-Y594 WeakPolarHBondContact O-CD2 3.49Å |
| 593 | L | 87.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.9 | -177.8 | -176.6 | 64.2 | 0 | 0 | 0 | 111.7 | E432 F446 I479 I487 Q588 L589 L595 | E432-L593 HydrophobicContact CG-CD1 3.84Å; F446-L593 HydrophobicContact CE1-CD1 3.88Å; F446-L593 HydrophobicContact CZ-CD1 4.02Å; F446-L593 HydrophobicContact CZ-CD2 4.05Å; I479-L593 HydrophobicContact CD1-CD2 3.47Å; I479-L593 VanDerWaalsContact CD1-CD2 3.47Å; I479-L593 HydrophobicContact CG1-CD2 4.31Å; I487-L593 HydrophobicContact CD1-CB 3.61Å; I487-L593 HydrophobicContact CD1-CD2 3.72Å; I487-L593 HydrophobicContact CD1-CG 4.32Å; Q588-L593 WeakPolarHBondContact CA-O 3.29Å; L589-L593 HydrophobicContact CB-CB 4.35Å; L589-L593 HydrophobicContact CB-CD2 4.34Å; L589-L593 HydrophobicContact CD1-CD2 4.29Å; L589-L593 PolarHBondContact N-O 2.83Å; L593-L595 HydrophobicContact CD1-CD2 3.9Å; L593-L595 HydrophobicContact CD1-CG 4.35Å; L593-L595 HydrophobicContact CD2-CD1 4.22Å; L593-L595 HydrophobicContact CD2-CD2 4.26Å; L593-L595 HydrophobicContact CD2-CG 4.1Å; L593-L595 HydrophobicContact CG-CD2 4.15Å; L593-L595 HydrophobicContact CG-CG 4.05Å |
| 594 | Y | 88.2 | Confident | 70.9 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 115.8 | 173.1 | -59.5 | -104.1 | 0 | 0 | 0 | 108.5 | E432 V433 G435 I586 L587 Q588 K591 T592 | E432-Y594 WeakPolarHBondContact CA-O 3.2Å; V433-Y594 PolarHBondContact N-O 3.42Å; G435-Y594 VanDerWaalsContact CA-CD2 3.46Å; G435-Y594 VanDerWaalsContact CA-CE2 3.49Å; I586-Y594 HydrophobicContact CG2-CD1 4.45Å; L587-Y594 WeakPolarHBondContact O-CA 3.24Å; Q588-Y594 HydrophobicContact CB-CD1 3.81Å; Q588-Y594 HydrophobicContact CB-CE1 3.84Å; Q588-Y594 VanDerWaalsContact CD-CE1 3.46Å; Q588-Y594 HydrophobicContact CG-CD1 3.85Å; Q588-Y594 HydrophobicContact CG-CE1 3.47Å; Q588-Y594 VanDerWaalsContact CG-CE1 3.47Å; Q588-Y594 PolarHBondContact NE2-OH 3.5Å; K591-Y594 VanDerWaalsContact O-CE2 3.32Å; K591-Y594 WeakPolarHBondContact O-CE2 3.4Å; K591-Y594 PolarHBondContact O-OH 3.41Å; K591-Y594 VanDerWaalsContact O-OH 3.11Å; T592-Y594 WeakPolarHBondContact O-CD2 3.49Å |
| 595 | L | 90.8 | Very high | 68.3 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.1 | 177.7 | -61 | 178.3 | 0 | 0 | 0 | 109.8 | L430 V431 E432 F446 I448 L464 L587 L589 L593 | L430-L595 HydrophobicContact CB-CB 4.47Å; L430-L595 HydrophobicContact CD2-CB 4.08Å; V431-L595 CarbonylContact O-C 3.58Å; V431-L595 WeakPolarHBondContact O-CA 3.42Å; E432-L595 HydrophobicContact CB-CD2 4.21Å; F446-L595 HydrophobicContact CE2-CD2 4.37Å; F446-L595 HydrophobicContact CZ-CD2 4.25Å; I448-L595 HydrophobicContact CD1-CD1 3.94Å; L464-L595 HydrophobicContact CD1-CD1 3.86Å; L587-L595 HydrophobicContact CB-CB 4.36Å; L587-L595 WeakPolarHBondContact CB-O 3.38Å; L587-L595 PolarHBondContact N-O 2.94Å; L587-L595 PolarHBondContact O-N 2.88Å; L589-L595 HydrophobicContact CD1-CD1 3.78Å; L589-L595 HydrophobicContact CD1-CG 4.45Å; L593-L595 HydrophobicContact CD1-CD2 3.9Å; L593-L595 HydrophobicContact CD1-CG 4.35Å; L593-L595 HydrophobicContact CD2-CD1 4.22Å; L593-L595 HydrophobicContact CD2-CD2 4.26Å; L593-L595 HydrophobicContact CD2-CG 4.1Å; L593-L595 HydrophobicContact CG-CD2 4.15Å; L593-L595 HydrophobicContact CG-CG 4.05Å |
| 596 | K | 85.9 | Confident | 65.4 | Low | 47 Ų | 47 | 58.3 Ų | 58.3 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.1 | 171.9 | -171.9 | 173.7 | 177.4 | -175.2 | 0 | 109.9 | L430 V431 V433 N584 I586 I598 | L430-K596 WeakPolarHBondContact CA-O 3.4Å; V431-K596 PolarHBondContact N-O 3.41Å; V431-K596 PolarHBondContact O-N 2.82Å; V433-K596 HydrophobicContact CG1-CB 3.73Å; V433-K596 HydrophobicContact CG1-CD 4.34Å; V433-K596 HydrophobicContact CG2-CB 4.19Å; N584-K596 WeakPolarHBondContact O-CE 3.43Å; N584-K596 WeakPolarHBondContact OD1-CE 3.49Å; N584-K596 PolarHBondContact OD1-NZ 3.46Å; N584-K596 VanDerWaalsContact OD1-NZ 3.15Å; I586-K596 HydrophobicContact CG1-CB 4.28Å; I586-K596 HydrophobicContact CG1-CD 4.42Å; I586-K596 HydrophobicContact CG1-CG 4.07Å; K596-I598 HydrophobicContact CD-CD1 4.26Å; K596-I598 HydrophobicContact CD-CG1 4.37Å; K596-I598 HydrophobicContact CG-CD1 4.39Å; K596-I598 HydrophobicContact CG-CG1 4.05Å |
| 597 | Y | 86 | Confident | 62.5 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.2 | 172.7 | 172.8 | -120.6 | 0 | 0 | 0 | 109.6 | L430 L450 F454 L550 I581 S582 N584 A585 Q599 | L430-Y597 HydrophobicContact CD2-CD2 4.38Å; L450-Y597 HydrophobicContact CD1-CD2 4.01Å; L450-Y597 HydrophobicContact CD1-CE2 3.92Å; F454-Y597 HydrophobicContact CZ-CE2 4.44Å; F454-Y597 WeakPolarHBondContact CZ-OH 3.35Å; L550-Y597 HydrophobicContact CB-CE1 4.36Å; L550-Y597 HydrophobicContact CB-CE2 4.24Å; L550-Y597 HydrophobicContact CD2-CD2 3.67Å; L550-Y597 HydrophobicContact CD2-CE2 3.79Å; L550-Y597 HydrophobicContact CD2-CG 4.19Å; I581-Y597 HydrophobicContact CB-CD1 4.42Å; I581-Y597 HydrophobicContact CG2-CD1 3.69Å; I581-Y597 HydrophobicContact CG2-CG 4.09Å; S582-Y597 WeakPolarHBondContact O-CD1 3.46Å; N584-Y597 CarbonylContact C-O 3.58Å; N584-Y597 WeakPolarHBondContact CA-O 3.22Å; N584-Y597 PolarHBondContact N-O 2.88Å; A585-Y597 PolarHBondContact O-N 2.9Å; Y597-Q599 HydrophobicContact CE1-CB 4.11Å; Y597-Q599 HydrophobicContact CE2-CB 4.5Å; Y597-Q599 PolarHBondContact OH-OE1 3.17Å |
| 598 | I | 74.8 | Confident | 59.2 | Low | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.185 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 106.8 | 178.9 | -58.8 | -178.1 | 0 | 0 | 0 | 108 | P428 Y429 V431 K596 | P428-I598 WeakPolarHBondContact CA-O 3.27Å; Y429-I598 HydrophobicContact CD2-CB 4.19Å; Y429-I598 HydrophobicContact CE2-CB 3.76Å; Y429-I598 HydrophobicContact CE2-CD1 4.06Å; Y429-I598 HydrophobicContact CE2-CG1 4.36Å; Y429-I598 HydrophobicContact CE2-CG2 4.05Å; Y429-I598 PolarHBondContact N-O 3.32Å; Y429-I598 PolarHBondContact O-N 3Å; V431-I598 HydrophobicContact CG2-CD1 4.16Å; K596-I598 HydrophobicContact CD-CD1 4.26Å; K596-I598 HydrophobicContact CD-CG1 4.37Å; K596-I598 HydrophobicContact CG-CD1 4.39Å; K596-I598 HydrophobicContact CG-CG1 4.05Å |
| 599 | Q | 67.9 | Low | 56.1 | Low | 48 Ų | 48 | 71.8 Ų | 71.8 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | trans | -92.1 | 133.3 | 166.3 | -166.6 | 168.4 | 6.3 | 0 | 0 | 107.3 | Y548 N583 Y597 I601 | Y548-Q599 PolarHBondContact O-NE2 2.72Å; N583-Q599 HydrophobicContact CB-CB 4.1Å; N583-Q599 PolarHBondContact ND2-O 2.85Å; N583-Q599 PolarHBondContact OD1-N 3.38Å; N583-Q599 PolarHBondContact OD1-O 2.81Å; Y597-Q599 HydrophobicContact CE1-CB 4.11Å; Y597-Q599 HydrophobicContact CE2-CB 4.5Å; Y597-Q599 PolarHBondContact OH-OE1 3.17Å; Q599-I601 PolarHBondContact O-N 3.33Å | ||
| 600 | P | 45.1 | Very low | 53.2 | Low | 48 Ų | 48 | 77.8 Ų | 77.8 | 31% | 0.312 | 41% | 0.409 | S | S | . | . | trans | -59.9 | 127.3 | 176.8 | 24.8 | -34 | 0 | 0 | 0 | 109.6 | Q602 | P600-Q602 PolarHBondContact O-N 3.29Š| ||
| 601 | I | 36.3 | Very low | 50.4 | Low | 122 Ų | 122 | 83.2 Ų | 83.2 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | trans | -71.1 | 113.7 | 175.2 | -63.4 | 174.4 | 0 | 0 | 0 | 107.3 | Q599 T603 | Q599-I601 PolarHBondContact O-N 3.33Å; I601-T603 PolarHBondContact O-N 2.89Å | ||
| 602 | Q | 29.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 82.2 Ų | 82.2 | 60% | 0.603 | 44% | 0.438 | S | S | * | . | trans | -64.1 | 107 | 168.9 | -69.4 | 179.9 | -9.6 | 0 | 0 | 108.9 | P600 K604 | P600-Q602 PolarHBondContact O-N 3.29Å; Q602-K604 PolarHBondContact O-N 3.15Å | ||
| 603 | T | 23.5 | Very low | 45.3 | Very low | 109 Ų | 109 | 86.8 Ų | 86.8 | 67% | 0.669 | 46% | 0.46 | S | S | * | . | trans | -71.4 | 92 | 177.2 | 41.5 | 0 | 0 | 0 | 0 | 110.5 | I601 S605 | I601-T603 PolarHBondContact O-N 2.89Å; T603-S605 PolarHBondContact O-N 2.97Å | ||
| 604 | K | 24.4 | Very low | 42.1 | Very low | 180 Ų | 180 | 94.3 Ų | 94.3 | 78% | 0.783 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -56.9 | 136.7 | 154.7 | -67 | -173.3 | 177.4 | -173.2 | 0 | 108.1 | Q602 | Q602-K604 PolarHBondContact O-N 3.15Š|
| 605 | S | 24.1 | Very low | 39 | Very low | 84 Ų | 84 | 101.3 Ų | 101.3 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | trans | 63.4 | 94.5 | -173.1 | -168.3 | 0 | 0 | 0 | 0 | 115.4 | T603 N607 | T603-S605 PolarHBondContact O-N 2.97Å; S605-N607 PolarHBondContact O-N 2.71Å; S605-N607 PolarHBondContact OG-N 3.01Å | ||
| 606 | L | 21.3 | Very low | 35.6 | Very low | 98 Ų | 98 | 109.9 Ų | 109.9 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | 29.7 | 159 | -141.2 | 164.1 | 0 | 0 | 0 | 111.1 | ||
| 607 | N | 24.1 | Very low | 32.6 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.6 | 174 | -97.3 | -22.3 | 0 | 0 | 0 | 113.2 | S605 P2223 | S605-N607 PolarHBondContact O-N 2.71Å; S605-N607 PolarHBondContact OG-N 3.01Å; N607-P2223 WeakPolarHBondContact OD1-CD 3.2Å; N607-P2223 WeakPolarHBondContact OD1-CG 3.47Å |
| 608 | S | 22.4 | Very low | 29.5 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -99 | -5.1 | -178.3 | -167.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 609 | L | 21.9 | Very low | 27 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -103.7 | 16.1 | -174.7 | -142.5 | 76.9 | 0 | 0 | 0 | 114.5 | ||
| 610 | I | 24.9 | Very low | 24.8 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 65% | 0.646 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -105.1 | -22.5 | 170.7 | -67.6 | 177.9 | 0 | 0 | 0 | 111.2 | D612 | I610-D612 VanDerWaalsContact C-N 3.27Å; I610-D612 PolarHBondContact O-N 2.74Å |
| 611 | N | 23.4 | Very low | 23.8 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -88.8 | 38.2 | 176.1 | -81.9 | 0.1 | 0 | 0 | 0 | 113.6 | ||
| 612 | D | 23.9 | Very low | 23.2 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | trans | -141.7 | 49.1 | 171.9 | -123.1 | -22.3 | 0 | 0 | 0 | 112.5 | I610 | I610-D612 VanDerWaalsContact C-N 3.27Å; I610-D612 PolarHBondContact O-N 2.74Å | ||
| 613 | N | 23.9 | Very low | 23.3 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -129.9 | 49 | 164.4 | -109.7 | -38.7 | 0 | 0 | 0 | 111 | K615 | N613-K615 PolarHBondContact O-N 2.81Š| ||
| 614 | N | 22.4 | Very low | 23.6 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -73.8 | 55.5 | -178.8 | -120 | -25.4 | 0 | 0 | 0 | 112.5 | ||||
| 615 | K | 21.9 | Very low | 23.8 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -160.6 | 55.3 | 169 | -126.5 | 171.1 | -170.8 | 175.9 | 0 | 117.3 | N613 | N613-K615 PolarHBondContact O-N 2.81Š| ||
| 616 | M | 20.5 | Very low | 23.8 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 89% | 0.892 | 74% | 0.735 | S | S | * | * | trans | -153.4 | 127.2 | 139 | -106 | -176.6 | -160.4 | 0 | 0 | 110.7 | ||||
| 617 | Q | 21.8 | Very low | 24 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -85.1 | 118.3 | 172.5 | -70.1 | 177.3 | -16.6 | 0 | 0 | 109.5 | ||||
| 618 | I | 21.2 | Very low | 24.2 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -120 | 132.4 | 155.7 | -62.3 | -177.8 | 0 | 0 | 0 | 106.8 | ||||
| 619 | K | 21.8 | Very low | 24.4 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -93.1 | 125.5 | -163.7 | -68.2 | 178.5 | 177.2 | 175.6 | 0 | 112.2 | ||||
| 620 | T | 23.1 | Very low | 24.5 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | 53.3 | 155.1 | 138.7 | 55.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 621 | E | 23.7 | Very low | 24.4 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | 74.8 | 73.1 | 164.6 | -50.4 | -154.8 | 152.8 | 0 | 0 | 119 | ||||
| 622 | N | 23.2 | Very low | 24.3 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | -160.3 | 17.2 | 128.7 | -109 | -52 | 0 | 0 | 0 | 115.7 | N624 | N622-N624 PolarHBondContact O-N 3.23Š| |||
| 623 | V | 31 | Very low | 24.2 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -71.1 | -30.6 | -169.9 | 178.3 | 0 | 0 | 0 | 0 | 113.9 | K625 | V623-K625 PolarHBondContact O-N 2.76Š|
| 624 | N | 30.5 | Very low | 24.3 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -97.9 | 19.2 | -164.5 | -67.7 | 15.3 | 0 | 0 | 0 | 115.8 | N622 | N622-N624 PolarHBondContact O-N 3.23Š|
| 625 | K | 29.3 | Very low | 24.2 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -127.9 | 7.3 | 179.7 | -82.4 | -171.8 | 175.7 | 175.6 | 0 | 117.9 | V623 | V623-K625 PolarHBondContact O-N 2.76Š|
| 626 | I | 23.4 | Very low | 24.3 | Very low | 126 Ų | 126 | 142 Ų | 142 | 65% | 0.646 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -12.5 | 161.4 | -66.6 | -179.4 | 0 | 0 | 0 | 112.3 | Q628 T629 | I626-Q628 PolarHBondContact O-N 3.23Å; I626-T629 PolarHBondContact O-N 3.17Å; I626-T629 VanDerWaalsContact O-N 3.14Å |
| 627 | Q | 26.5 | Very low | 24.4 | Very low | 134 Ų | 134 | 134 Ų | 134 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 5.7 | 167.8 | -76.6 | -174.5 | -27.4 | 0 | 0 | 115.1 | ||
| 628 | Q | 26.6 | Very low | 24.6 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.9 | 15.8 | 173.4 | -68.9 | -168.7 | -18 | 0 | 0 | 114.4 | I626 | I626-Q628 PolarHBondContact O-N 3.23Š|
| 629 | T | 28 | Very low | 24.7 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | -13.5 | 172.7 | -20.5 | 0 | 0 | 0 | 0 | 116.2 | I626 | I626-T629 PolarHBondContact O-N 3.17Å; I626-T629 VanDerWaalsContact O-N 3.14Å |
| 630 | I | 23 | Very low | 24.9 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | trans | -121.7 | 60.7 | 165.8 | -47.5 | -175.5 | 0 | 0 | 0 | 110.8 | K632 | I630-K632 VanDerWaalsContact C-N 3.33Š| ||
| 631 | T | 23.2 | Very low | 25 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | trans | -99.2 | 58.6 | 150.8 | 24.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 632 | K | 21.5 | Very low | 25.1 | Very low | 177 Ų | 177 | 116.1 Ų | 116.1 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -157.8 | 131.8 | 170 | -108.9 | 162.1 | -173 | 176 | 0 | 110.6 | I630 | I630-K632 VanDerWaalsContact C-N 3.33Š|
| 633 | L | 22.3 | Very low | 25.3 | Very low | 165 Ų | 165 | 115 Ų | 115 | 86% | 0.864 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 71.7 | 145.3 | -174.6 | -81.9 | 68 | 0 | 0 | 0 | 116.8 | ||
| 634 | P | 26.4 | Very low | 25.2 | Very low | 118 Ų | 118 | 116.5 Ų | 116.5 | 77% | 0.766 | 62% | 0.624 | S | S | * | * | trans | -136 | 167.8 | -149 | 38.1 | -17.5 | 0 | 0 | 0 | 116.7 | ||||
| 635 | S | 18.5 | Very low | 25.1 | Very low | 98 Ų | 98 | 113.3 Ų | 113.3 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | trans | -108.2 | 108 | 170.6 | 39.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 636 | S | 25.4 | Very low | 25.1 | Very low | 58 Ų | 58 | 110 Ų | 110 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | trans | -166.5 | 169.6 | 162 | 64 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 637 | S | 21.8 | Very low | 25.3 | Very low | 15 Ų | 15 | 112.4 Ų | 112.4 | 11% | 0.105 | 60% | 0.604 | C | S | . | * | 170.9 | 131.7 | -51.6 | 175.9 | 0 | 0 | 0 | 0 | 109 | S639 N2219 V2220 Q2221 | S637-S639 PolarHBondContact O-N 3.48Å; S637-S639 VanDerWaalsContact O-N 3.13Å; S637-N2219 WeakPolarHBondContact CB-OD1 3.28Å; S637-V2220 WeakPolarHBondContact OG-CA 3.28Å; S637-Q2221 VanDerWaalsContact CA-OE1 3.25Å; S637-Q2221 WeakPolarHBondContact OG-CB 3.39Å; S637-Q2221 VanDerWaalsContact OG-CG 3.24Å; S637-Q2221 WeakPolarHBondContact OG-CG 3.22Å; S637-Q2221 PolarHBondContact OG-N 3.08Å | |||
| 638 | T | 25.3 | Very low | 25.4 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 35.8 | 62.1 | 152.5 | 60.5 | 0 | 0 | 0 | 0 | 118.3 | Q2221 | T638-Q2221 HydrophobicContact CG2-CG 4.25Š|
| 639 | S | 24.8 | Very low | 25.5 | Very low | 49 Ų | 49 | 109.6 Ų | 109.6 | 34% | 0.343 | 59% | 0.593 | S | S | . | * | trans | 180 | 112.7 | 130.4 | 43.3 | 0 | 0 | 0 | 0 | 109.4 | S637 | S637-S639 PolarHBondContact O-N 3.48Å; S637-S639 VanDerWaalsContact O-N 3.13Å | ||
| 640 | L | 25.1 | Very low | 25.5 | Very low | 139 Ų | 139 | 109.2 Ų | 109.2 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -98.7 | -16.8 | 176.9 | -98.8 | 160.6 | 0 | 0 | 0 | 113.1 | R643 | L640-R643 PolarHBondContact O-N 2.83Š|
| 641 | S | 25.9 | Very low | 25.7 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -68.3 | -39.6 | 174.1 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | R643 L644 | S641-R643 PolarHBondContact O-N 3.32Å; S641-L644 PolarHBondContact O-N 3.33Å |
| 642 | N | 25.9 | Very low | 25.8 | Very low | 72 Ų | 72 | 111.6 Ų | 111.6 | 39% | 0.385 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.8 | -24.7 | 176.5 | -72.7 | -7.1 | 0 | 0 | 0 | 113.1 | L644 A645 E646 | N642-L644 PolarHBondContact O-N 2.87Å; N642-L644 VanDerWaalsContact O-N 3.12Å; N642-A645 WeakPolarHBondContact O-CA 3.39Å; N642-A645 WeakPolarHBondContact O-CB 3.4Å; N642-A645 PolarHBondContact O-N 3.36Å; N642-E646 PolarHBondContact O-N 3.16Å |
| 643 | R | 26.4 | Very low | 26.1 | Very low | 126 Ų | 126 | 109.7 Ų | 109.7 | 48% | 0.475 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.2 | -1.3 | 179.2 | -66.8 | -169 | 178.3 | 178.2 | 1.1 | 114.8 | L640 S641 R647 | L640-R643 PolarHBondContact O-N 2.83Å; S641-R643 PolarHBondContact O-N 3.32Å; R643-R647 WeakPolarHBondContact O-CB 3.3Å; R643-R647 WeakPolarHBondContact O-CG 3.27Å |
| 644 | L | 29 | Very low | 26.4 | Very low | 138 Ų | 138 | 110.7 Ų | 110.7 | 72% | 0.723 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -91.7 | -30.2 | 162.3 | -85.9 | 166.7 | 0 | 0 | 0 | 112.7 | S641 N642 Q648 | S641-L644 PolarHBondContact O-N 3.33Å; N642-L644 PolarHBondContact O-N 2.87Å; N642-L644 VanDerWaalsContact O-N 3.12Å; L644-Q648 PolarHBondContact O-N 2.86Å |
| 645 | A | 28.1 | Very low | 26.3 | Very low | 58 Ų | 58 | 114.7 Ų | 114.7 | 48% | 0.479 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.3 | -49.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | N642 R647 Q648 I649 | N642-A645 WeakPolarHBondContact O-CA 3.39Å; N642-A645 WeakPolarHBondContact O-CB 3.4Å; N642-A645 PolarHBondContact O-N 3.36Å; A645-R647 PolarHBondContact O-N 2.93Å; A645-Q648 PolarHBondContact O-N 3.22Å; A645-I649 PolarHBondContact O-N 3.09Å |
| 646 | E | 29.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.8 | -46.6 | 179.1 | -66.8 | 173.4 | 144.1 | 0 | 0 | 111.4 | N642 Q648 I649 D650 | N642-E646 PolarHBondContact O-N 3.16Å; E646-Q648 PolarHBondContact O-N 2.89Å; E646-Q648 VanDerWaalsContact O-N 3.16Å; E646-I649 WeakPolarHBondContact O-CA 3.24Å; E646-I649 WeakPolarHBondContact O-CB 3.44Å; E646-I649 PolarHBondContact O-N 3.14Å; E646-D650 PolarHBondContact O-N 2.95Å |
| 647 | R | 28.6 | Very low | 26.5 | Very low | 178 Ų | 178 | 121.6 Ų | 121.6 | 67% | 0.672 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.1 | -21.1 | 177.5 | -84 | -175.2 | 159 | -178.1 | -6.2 | 114.8 | R643 A645 L651 | R643-R647 WeakPolarHBondContact O-CB 3.3Å; R643-R647 WeakPolarHBondContact O-CG 3.27Å; A645-R647 PolarHBondContact O-N 2.93Å; R647-L651 WeakPolarHBondContact O-CB 3.46Å; R647-L651 WeakPolarHBondContact O-CD1 3.32Å; R647-L651 VanDerWaalsContact O-CG 3.3Å; R647-L651 WeakPolarHBondContact O-CG 3.15Å; R647-L651 PolarHBondContact O-N 3.29Å |
| 648 | Q | 27.9 | Very low | 26.7 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -84.7 | -18.7 | 174 | -166.4 | 164.2 | -25.5 | 0 | 0 | 112.1 | L644 A645 E646 M652 | L644-Q648 PolarHBondContact O-N 2.86Å; A645-Q648 PolarHBondContact O-N 3.22Å; E646-Q648 PolarHBondContact O-N 2.89Å; E646-Q648 VanDerWaalsContact O-N 3.16Å; Q648-M652 WeakPolarHBondContact O-CG 3.49Å |
| 649 | I | 28.5 | Very low | 26.4 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.2 | -45.5 | 169.4 | -64.4 | 167.1 | 0 | 0 | 0 | 110 | A645 E646 L651 M652 N653 | A645-I649 PolarHBondContact O-N 3.09Å; E646-I649 WeakPolarHBondContact O-CA 3.24Å; E646-I649 WeakPolarHBondContact O-CB 3.44Å; E646-I649 PolarHBondContact O-N 3.14Å; I649-L651 VanDerWaalsContact C-N 3.25Å; I649-L651 PolarHBondContact O-N 3.22Å; I649-M652 PolarHBondContact O-N 2.96Å; I649-N653 PolarHBondContact O-N 2.97Å |
| 650 | D | 28.8 | Very low | 26.4 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 58% | 0.583 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -55.7 | -40.5 | 175.6 | -64.1 | -27.3 | 0 | 0 | 0 | 111.7 | E646 M652 N653 | E646-D650 PolarHBondContact O-N 2.95Å; D650-M652 VanDerWaalsContact C-N 3.26Å; D650-M652 PolarHBondContact O-N 3.09Å; D650-N653 PolarHBondContact O-N 2.76Å |
| 651 | L | 27.3 | Very low | 26.3 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -5.5 | 178.4 | -75 | 172.5 | 0 | 0 | 0 | 115 | R647 I649 | R647-L651 WeakPolarHBondContact O-CB 3.46Å; R647-L651 WeakPolarHBondContact O-CD1 3.32Å; R647-L651 VanDerWaalsContact O-CG 3.3Å; R647-L651 WeakPolarHBondContact O-CG 3.15Å; R647-L651 PolarHBondContact O-N 3.29Å; I649-L651 VanDerWaalsContact C-N 3.25Å; I649-L651 PolarHBondContact O-N 3.22Å |
| 652 | M | 26 | Very low | 26 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -15.9 | 173.4 | -76.6 | -175.3 | 60.7 | 0 | 0 | 113.6 | Q648 I649 D650 | Q648-M652 WeakPolarHBondContact O-CG 3.49Å; I649-M652 PolarHBondContact O-N 2.96Å; D650-M652 VanDerWaalsContact C-N 3.26Å; D650-M652 PolarHBondContact O-N 3.09Å |
| 653 | N | 27.2 | Very low | 25.8 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -114.1 | 12.3 | -167.2 | -98.1 | 0.5 | 0 | 0 | 0 | 116.7 | I649 D650 | I649-N653 PolarHBondContact O-N 2.97Å; D650-N653 PolarHBondContact O-N 2.76Å |
| 654 | E | 27.7 | Very low | 25.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -118.4 | 73.9 | 163.1 | -73.8 | -155.1 | 140.4 | 0 | 0 | 112.9 | ||||
| 655 | K | 25.4 | Very low | 25.1 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 88% | 0.878 | 72% | 0.723 | S | S | * | * | trans | -93.6 | 82.4 | 149.1 | -90.5 | -172.2 | 173.9 | 179.3 | 0 | 109.2 | ||||
| 656 | N | 24.5 | Very low | 24.7 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | -156.7 | 116.5 | 158.6 | -97.6 | -31.2 | 0 | 0 | 0 | 112 | ||||
| 657 | Q | 23.5 | Very low | 24.3 | Very low | 162 Ų | 162 | 152 Ų | 152 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | trans | 33.1 | 114 | 134.4 | -65.2 | 174.4 | -9.7 | 0 | 0 | 117.1 | ||||
| 658 | N | 25 | Very low | 23.9 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | -161.7 | 161.7 | 54 | -82.1 | -62.7 | 0 | 0 | 0 | 113.5 | |||||
| 659 | D | 19.6 | Very low | 23.5 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -64.3 | 142.9 | 160.1 | -60.4 | -86.5 | 0 | 0 | 0 | 111.4 | ||||
| 660 | D | 24.6 | Very low | 23.2 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | -157.1 | 125.9 | 125.8 | -126.5 | -17.4 | 0 | 0 | 0 | 115.2 | |||||
| 661 | V | 22.4 | Very low | 22.7 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | trans | 39.6 | 105.3 | 147.5 | 175 | 0 | 0 | 0 | 0 | 119.9 | K663 | V661-K663 PolarHBondContact O-N 3.42Š| ||
| 662 | M | 20.5 | Very low | 22.4 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -47.8 | 125 | 143.5 | -73.7 | -144.7 | -62.1 | 0 | 0 | 112.8 | ||||
| 663 | K | 21.8 | Very low | 22.3 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -175.7 | 148.7 | 141.4 | -103.9 | 151.7 | -171.9 | 170.7 | 0 | 116.9 | V661 | V661-K663 PolarHBondContact O-N 3.42Š| ||
| 664 | L | 20.4 | Very low | 22 | Very low | 134 Ų | 134 | 147 Ų | 147 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | 68 | 110 | 144 | -67 | 165.5 | 0 | 0 | 0 | 122.7 | ||||
| 665 | K | 19.8 | Very low | 21.7 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 29.3 | 131.6 | 115.4 | -62.3 | 178.7 | -178.8 | 172.2 | 0 | 120 | |||||
| 666 | K | 20.5 | Very low | 21.6 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | trans | 46.6 | 127.3 | 139.3 | -63.8 | -175.9 | 174.6 | -174.5 | 0 | 119.1 | ||||
| 667 | D | 20 | Very low | 21.5 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | -171.1 | -143.3 | 79.8 | -128.1 | -60.3 | 0 | 0 | 0 | 114.4 | K693 | D667-K693 IonicContact OD1-NZ 3.64Å; D667-K693 PolarHBondContact OD1-NZ 2.92Å; D667-K693 IonicContact OD2-NZ 2.81Å | |||
| 668 | R | 21.5 | Very low | 21.4 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 42% | 0.415 | 76% | 0.759 | S | S | . | * | trans | -99.9 | 174.9 | -167.1 | -45.8 | -176.6 | -174.2 | -131.4 | 4.1 | 115.6 | K693 | R668-K693 HydrophobicContact CG-CD 4.27Å; R668-K693 PolarHBondContact NH1-O 3.05Å; R668-K693 PolarHBondContact NH2-O 2.96Å | ||
| 669 | Q | 18.2 | Very low | 21.3 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 78.8 | 127.3 | 151 | -70 | 162 | -34.5 | 0 | 0 | 120 | ||||
| 670 | F | 21.7 | Very low | 21.3 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | -172.8 | -169.3 | 104.7 | -113.8 | -85.5 | 0 | 0 | 0 | 112.8 | |||||
| 671 | S | 18.1 | Very low | 21 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -148.6 | 160.6 | -154 | 55.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 672 | G | 22.7 | Very low | 20.9 | Very low | 82 Ų | 82 | 145.4 Ų | 145.4 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 141.2 | 154.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 673 | G | 22.5 | Very low | 20.9 | Very low | 65 Ų | 65 | 143.6 Ų | 143.6 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 165.7 | 142.9 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 674 | T | 21.5 | Very low | 20.9 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 62.1 | 159.8 | 172.1 | 46.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 675 | L | 22.4 | Very low | 20.9 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -149 | 162.3 | 15.4 | -158.7 | 75.2 | 0 | 0 | 0 | 112.7 | ||||
| 676 | S | 22 | Very low | 21 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -14.7 | 161.3 | 168.3 | 72.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 677 | K | 23.2 | Very low | 20.9 | Very low | 201 Ų | 201 | 134.4 Ų | 134.4 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | cis | -167.8 | 152 | 25 | -147.2 | 168.7 | -174.6 | 177.2 | 0 | 113.4 | ||||
| 678 | A | 20.2 | Very low | 20.9 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 75.8 | 153.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 679 | Q | 22.9 | Very low | 20.7 | Very low | 194 Ų | 194 | 136.7 Ų | 136.7 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 66 | 150.8 | 176.9 | -70.2 | -170.8 | -14 | 0 | 0 | 119.2 | ||||
| 680 | T | 20.1 | Very low | 20.8 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -146.1 | 121 | -158.2 | 51.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 681 | L | 19.6 | Very low | 20.5 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -168.3 | 93.9 | 155.9 | -101.5 | 154.7 | 0 | 0 | 0 | 105.9 | ||||
| 682 | K | 20.1 | Very low | 20.6 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | 38.2 | 88.7 | 88.4 | -72.9 | -167.1 | 176.2 | -174.9 | 0 | 110.9 | |||||
| 683 | N | 20.2 | Very low | 20.5 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | -166 | 122.1 | 66.1 | -82.4 | -12.2 | 0 | 0 | 0 | 108.6 | |||||
| 684 | S | 20.5 | Very low | 20.5 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | 61.2 | 119 | 82.7 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 685 | S | 21.2 | Very low | 20.4 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | cis | -156.6 | 167.4 | 2.7 | -74.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 686 | S | 21.9 | Very low | 20.2 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | cis | -138.8 | 145.8 | 13.3 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 687 | N | 19.5 | Very low | 20.1 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -58 | 153.8 | 173.5 | -84.4 | -44.3 | 0 | 0 | 0 | 114.4 | ||||
| 688 | L | 18.1 | Very low | 20.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | 10.5 | 145.3 | 131.7 | -72.7 | 149.7 | 0 | 0 | 0 | 119.3 | ||||
| 689 | N | 18.2 | Very low | 20.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | trans | 92 | 147.9 | 133.3 | -88.7 | -17.1 | 0 | 0 | 0 | 122.1 | ||||
| 690 | L | 19.4 | Very low | 20.4 | Very low | 155 Ų | 155 | 133 Ų | 133 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | 81.4 | 142.3 | 151.1 | -104.6 | 74 | 0 | 0 | 0 | 120.6 | ||||
| 691 | S | 17 | Very low | 20.3 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | trans | -82.8 | 155.8 | 168.2 | 55 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 692 | T | 19.8 | Very low | 20.5 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | -172.3 | 160.3 | 124.5 | 17.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 693 | K | 19.4 | Very low | 20.5 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 40% | 0.4 | 75% | 0.745 | S | S | . | * | trans | -66.6 | 131.4 | 177 | -37.1 | 166.5 | 179.8 | 173.1 | 0 | 110.8 | D667 R668 | D667-K693 IonicContact OD1-NZ 3.64Å; D667-K693 PolarHBondContact OD1-NZ 2.92Å; D667-K693 IonicContact OD2-NZ 2.81Å; R668-K693 HydrophobicContact CG-CD 4.27Å; R668-K693 PolarHBondContact NH1-O 3.05Å; R668-K693 PolarHBondContact NH2-O 2.96Å | ||
| 694 | N | 23 | Very low | 20.6 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 90% | 0.898 | 74% | 0.743 | S | S | * | * | trans | -106.7 | 143 | 149.8 | -87.2 | -13 | 0 | 0 | 0 | 110.2 | ||||
| 695 | Q | 19 | Very low | 20.7 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | -121.6 | 158.4 | 173 | -145.9 | 171 | -71.2 | 0 | 0 | 106.1 | ||||
| 696 | E | 18.3 | Very low | 20.5 | Very low | 150 Ų | 150 | 140 Ų | 140 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | 75.9 | 145.4 | 155.3 | -90.1 | 150.5 | -126.9 | 0 | 0 | 122.6 | ||||
| 697 | I | 20.9 | Very low | 20.5 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 72.8 | 90.3 | 156.3 | -58.7 | 154.4 | 0 | 0 | 0 | 118.6 | ||||
| 698 | N | 24 | Very low | 20.5 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | -167.9 | 139.8 | 128.3 | -89.3 | -41.1 | 0 | 0 | 0 | 106.7 | |||||
| 699 | G | 20.9 | Very low | 20.6 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 163.2 | 140.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 700 | S | 26.4 | Very low | 20.8 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 69.7 | 125.6 | -166.6 | 76.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 701 | N | 17.9 | Very low | 20.9 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | cis | 84.8 | 105.6 | 10.4 | -156.6 | 21.3 | 0 | 0 | 0 | 117.3 | ||||
| 702 | I | 24.2 | Very low | 21.1 | Very low | 162 Ų | 162 | 141 Ų | 141 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -173.8 | 151.1 | 135.2 | -96.7 | 158.9 | 0 | 0 | 0 | 111 | ||||
| 703 | D | 20.8 | Very low | 21.6 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | -55.9 | 146.5 | -161.5 | -63.4 | -82.7 | 0 | 0 | 0 | 122.5 | ||||
| 704 | A | 21.7 | Very low | 21.6 | Very low | 85 Ų | 85 | 141.1 Ų | 141.1 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | 15.2 | 125.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 705 | K | 22.3 | Very low | 21.7 | Very low | 208 Ų | 208 | 138 Ų | 138 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | -164.2 | 142 | 116.9 | -107 | 149.2 | -171 | 163.4 | 0 | 114.1 | |||||
| 706 | R | 18.2 | Very low | 21.9 | Very low | 248 Ų | 248 | 139 Ų | 139 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | trans | -67.3 | 129.3 | 160.7 | -70.7 | 176.3 | 174 | 171.4 | -3.5 | 109.4 | ||||
| 707 | K | 21.5 | Very low | 22.3 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -168.6 | 133.7 | 131.7 | -110.8 | 175.1 | -176.8 | -175.4 | 0 | 111.5 | ||||
| 708 | S | 19.6 | Very low | 22.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -85.6 | 130.2 | 172.3 | 48.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 709 | S | 20.6 | Very low | 22.3 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -140.8 | 121.7 | 158.8 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 710 | H | 22.8 | Very low | 22.5 | Very low | 154 Ų | 154 | 136 Ų | 136 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -52.2 | 158.4 | 178.4 | -69.8 | -90.3 | 0 | 0 | 0 | 114.6 | P1719 | H710-P1719 WeakPolarHBondContact O-CG 3.28Š| ||
| 711 | K | 21 | Very low | 22.4 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 40% | 0.4 | 76% | 0.758 | S | S | . | * | trans | 80 | 151.4 | 157.9 | -56.7 | 133.1 | -173.8 | -121.5 | 0 | 115 | P1719 S1720 N1721 | K711-P1719 HydrophobicContact CB-CB 3.91Å; K711-P1719 HydrophobicContact CB-CG 3.98Å; K711-P1719 WeakPolarHBondContact CD-O 3.39Å; K711-S1720 WeakPolarHBondContact CD-O 3.31Å; K711-S1720 WeakPolarHBondContact CE-O 3.35Å; K711-S1720 PolarHBondContact NZ-O 3.15Å; K711-N1721 HydrophobicContact CD-CB 4.23Å; K711-N1721 HydrophobicContact CG-CB 3.63Å; K711-N1721 PolarHBondContact NZ-O 3.45Å | ||
| 712 | L | 21.7 | Very low | 22.9 | Very low | 121 Ų | 121 | 136 Ų | 136 | 63% | 0.634 | 76% | 0.755 | S | S | * | * | cis | -146.6 | 150.6 | 46.8 | -176 | 132 | 0 | 0 | 0 | 112.2 | P1719 | L712-P1719 HydrophobicContact CB-CB 3.74Å; L712-P1719 HydrophobicContact CD1-CB 3.7Å; L712-P1719 HydrophobicContact CG-CB 4.33Å | ||
| 713 | P | 29.1 | Very low | 23.1 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 42% | 0.422 | 72% | 0.723 | S | S | . | * | trans | -102 | 163.3 | 178.3 | 38.2 | -32.8 | 0 | 0 | 0 | 115.6 | S1720 N1721 | P713-S1720 VanDerWaalsContact CD-OG 3.27Å; P713-S1720 WeakPolarHBondContact CD-OG 3.49Å; P713-N1721 WeakPolarHBondContact CD-OD1 3.37Å | ||
| 714 | N | 20.5 | Very low | 23.9 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | 60.6 | 87.2 | 160.5 | -66.7 | 5.5 | 0 | 0 | 0 | 119 | ||||
| 715 | A | 23.4 | Very low | 24.7 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | trans | -113.7 | 47.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V717 | A715-V717 PolarHBondContact O-N 3.25Å; A715-V717 VanDerWaalsContact O-N 3.12Å | ||
| 716 | M | 24.2 | Very low | 25.9 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -71.5 | 104.7 | 174.4 | -167.6 | 171.9 | -171.7 | 0 | 0 | 107.8 | T718 | M716-T718 PolarHBondContact O-N 3.4Š| ||
| 717 | V | 26.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -60.1 | 134.8 | -174.1 | 177 | 0 | 0 | 0 | 0 | 110 | A715 S719 | A715-V717 PolarHBondContact O-N 3.25Å; A715-V717 VanDerWaalsContact O-N 3.12Å; V717-S719 VanDerWaalsContact C-N 3.33Å; V717-S719 PolarHBondContact O-N 3.01Å | ||
| 718 | T | 21.1 | Very low | 30.5 | Very low | 138 Ų | 138 | 105 Ų | 105 | 85% | 0.847 | 61% | 0.61 | S | S | * | * | trans | -73.1 | 79.2 | -171.7 | 52 | 0 | 0 | 0 | 0 | 112.7 | M716 | M716-T718 PolarHBondContact O-N 3.4Š| ||
| 719 | S | 24 | Very low | 33.2 | Very low | 98 Ų | 98 | 99.4 Ų | 99.4 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | trans | -70.5 | 120.5 | 159.8 | 55.7 | 0 | 0 | 0 | 0 | 109.9 | V717 | V717-S719 VanDerWaalsContact C-N 3.33Å; V717-S719 PolarHBondContact O-N 3.01Å | ||
| 720 | S | 25.8 | Very low | 36.2 | Very low | 99 Ų | 99 | 94.2 Ų | 94.2 | 69% | 0.692 | 53% | 0.534 | S | S | * | . | trans | 32.3 | 109.9 | 157.6 | 57.7 | 0 | 0 | 0 | 0 | 118 | L722 | S720-L722 PolarHBondContact O-N 3Š| ||
| 721 | S | 23.4 | Very low | 39.1 | Very low | 127 Ų | 127 | 87.8 Ų | 87.8 | 89% | 0.888 | 51% | 0.506 | S | S | * | . | trans | -63 | 92.7 | 163.3 | 54 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 722 | L | 28.4 | Very low | 42.4 | Very low | 137 Ų | 137 | 83.5 Ų | 83.5 | 72% | 0.717 | 49% | 0.488 | S | S | * | . | trans | -66.6 | 138.5 | 171.7 | -156.8 | 71.2 | 0 | 0 | 0 | 109.2 | S720 | S720-L722 PolarHBondContact O-N 3Š| ||
| 723 | S | 29.3 | Very low | 45.3 | Very low | 21 Ų | 21 | 79.9 Ų | 79.9 | 15% | 0.147 | 47% | 0.467 | C | S | . | . | trans | -61.4 | 155.6 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | D726 M1214 | S723-D726 PolarHBondContact OG-OD2 3.17Å; S723-M1214 WeakPolarHBondContact OG-CE 3.4Å | ||
| 724 | K | 36.9 | Very low | 48 | Very low | 183 Ų | 183 | 77.9 Ų | 77.9 | 80% | 0.796 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -108.5 | 6.6 | 169.9 | -68.2 | -171.1 | 176.1 | -175.2 | 0 | 112.9 | ||
| 725 | S | 38.8 | Very low | 50.4 | Low | 18 Ų | 18 | 74.2 Ų | 74.2 | 13% | 0.126 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -88.1 | -27.8 | -178.5 | 41 | 0 | 0 | 0 | 0 | 113.7 | Q727 | S725-Q727 VanDerWaalsContact C-N 3.28Å; S725-Q727 PolarHBondContact O-N 3.3Å; S725-Q727 VanDerWaalsContact O-N 3.13Å |
| 726 | D | 47.9 | Very low | 52.2 | Low | 75 Ų | 75 | 77.4 Ų | 77.4 | 40% | 0.401 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -96 | 38.3 | -159.4 | -44.9 | -13.4 | 0 | 0 | 0 | 111.7 | S723 M1214 | S723-D726 PolarHBondContact OG-OD2 3.17Å; D726-M1214 WeakPolarHBondContact OD2-CE 3.36Å; D726-M1214 VanDerWaalsContact OD2-CG 3.29Å; D726-M1214 WeakPolarHBondContact OD2-CG 3.21Å |
| 727 | Q | 59.7 | Low | 53.5 | Low | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 41% | 0.408 | S | S | . | . | trans | -121.8 | 111.3 | -166.9 | -172.6 | 151 | 91.7 | 0 | 0 | 112.5 | S725 H1194 | S725-Q727 VanDerWaalsContact C-N 3.28Å; S725-Q727 PolarHBondContact O-N 3.3Å; S725-Q727 VanDerWaalsContact O-N 3.13Å; Q727-H1194 VanDerWaalsContact CD-ND1 3.3Å; Q727-H1194 HydrophobicContact CG-CB 3.98Å; Q727-H1194 PolarHBondContact NE2-ND1 3.34Å; Q727-H1194 PolarHBondContact OE1-ND1 3.4Å | ||
| 728 | L | 76.3 | Confident | 54.4 | Low | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | trans | -63.6 | 155.3 | 169.4 | -71.5 | 171.8 | 0 | 0 | 0 | 111.6 | L730 Y792 L793 R796 H1194 W1206 C1209 M1210 | L728-L730 WeakPolarHBondContact CB-O 3.42Å; L728-L730 PolarHBondContact O-N 2.99Å; L728-L730 VanDerWaalsContact O-N 3.17Å; L728-Y792 HydrophobicContact CD1-CE1 4.38Å; L728-L793 HydrophobicContact CD1-CD2 4.01Å; L728-R796 HydrophobicContact CD1-CB 4.36Å; L728-R796 HydrophobicContact CD1-CG 4.13Å; L728-H1194 PolarHBondContact O-CD2 2.85Å; L728-W1206 HydrophobicContact CD2-CE3 4.26Å; L728-W1206 HydrophobicContact CD2-CZ3 4.44Å; L728-C1209 HydrophobicContact CD2-CB 3.84Å; L728-M1210 HydrophobicContact CD2-CE 3.73Å; L728-M1210 HydrophobicContact CD2-SD 3.71Å | ||
| 729 | P | 74.9 | Confident | 55.5 | Low | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.032 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -58.2 | -28.2 | 172.9 | -24.3 | 34.6 | 0 | 0 | 0 | 113.6 | I1172 H1194 I1201 | P729-I1172 HydrophobicContact CB-CG1 3.91Å; P729-H1194 PolarHBondContact O-N 3.35Å; P729-I1201 HydrophobicContact CG-CG2 4.28Å |
| 730 | L | 84.8 | Confident | 56.2 | Low | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.8 | 177.9 | -159.5 | 64.1 | 0 | 0 | 0 | 109.5 | L728 L793 I1172 L1176 L1177 L1180 V1191 K1193 W1206 | L728-L730 WeakPolarHBondContact CB-O 3.42Å; L728-L730 PolarHBondContact O-N 2.99Å; L728-L730 VanDerWaalsContact O-N 3.17Å; L730-L793 HydrophobicContact CB-CD2 4.29Å; L730-L793 HydrophobicContact CD2-CD1 3.92Å; L730-L793 HydrophobicContact CG-CD1 4.44Å; L730-L793 WeakPolarHBondContact O-CD2 3.38Å; L730-I1172 HydrophobicContact CB-CG1 4.38Å; L730-I1172 HydrophobicContact CD1-CD1 3.98Å; L730-I1172 HydrophobicContact CD1-CG1 4.45Å; L730-I1172 HydrophobicContact CD2-CG2 4.37Å; L730-L1176 HydrophobicContact CD2-CD2 4Å; L730-L1176 HydrophobicContact CD2-CG 4.4Å; L730-L1177 HydrophobicContact CD1-CD2 4.02Å; L730-L1177 HydrophobicContact CD2-CD2 4.11Å; L730-L1180 HydrophobicContact CD2-CD1 4.05Å; L730-V1191 HydrophobicContact CD1-CG1 3.43Å; L730-V1191 VanDerWaalsContact CD1-CG1 3.43Å; L730-V1191 HydrophobicContact CD2-CG1 4.18Å; L730-V1191 HydrophobicContact CG-CG1 3.89Å; L730-K1193 HydrophobicContact CD1-CB 4.4Å; L730-K1193 HydrophobicContact CD1-CG 3.85Å; L730-W1206 HydrophobicContact CB-CH2 4.41Å |
| 731 | S | 84.1 | Confident | 57.2 | Low | 18 Ų | 18 | 76.8 Ų | 76.8 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 142.9 | 165.3 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | K1192 H1194 | S731-K1192 PolarHBondContact N-O 3.05Å; S731-K1192 PolarHBondContact O-N 3.27Å; S731-H1194 WeakPolarHBondContact CB-NE2 3.24Å; S731-H1194 PolarHBondContact N-NE2 2.84Å; S731-H1194 PolarHBondContact OG-NE2 2.9Å |
| 732 | I | 89.3 | Confident | 58.5 | Low | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.015 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 145.6 | 174.9 | 75.7 | -178.6 | 0 | 0 | 0 | 110 | L752 L793 T794 S797 L1180 I1189 V1191 | I732-L752 HydrophobicContact CD1-CD2 4.32Å; I732-L793 HydrophobicContact CD1-CB 4.1Å; I732-L793 HydrophobicContact CG1-CB 4.25Å; I732-L793 HydrophobicContact CG2-CB 4.26Å; I732-L793 HydrophobicContact CG2-CD1 4.42Å; I732-T794 WeakPolarHBondContact CD1-OG1 3.46Å; I732-S797 WeakPolarHBondContact O-CB 3.43Å; I732-S797 PolarHBondContact O-OG 2.98Å; I732-L1180 HydrophobicContact CG2-CD1 4.36Å; I732-I1189 HydrophobicContact CD1-CG2 4.32Å; I732-I1189 HydrophobicContact CG2-CD1 4.44Å; I732-V1191 HydrophobicContact CG2-CG2 3.97Å |
| 733 | E | 83.7 | Confident | 59.7 | Low | 44 Ų | 44 | 73.4 Ų | 73.4 | 21% | 0.206 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.6 | 174.4 | -67.8 | 174.7 | -177.1 | 0 | 0 | 108.2 | K800 I1189 K1190 K1192 | E733-K800 IonicContact OE1-NZ 2.66Å; E733-K800 PolarHBondContact OE1-NZ 3Å; E733-I1189 WeakPolarHBondContact O-CA 3.28Å; E733-K1190 PolarHBondContact N-O 2.88Å; E733-K1190 PolarHBondContact O-N 3.36Å; E733-K1192 IonicContact OE1-NZ 3.8Å; E733-K1192 PolarHBondContact OE1-NZ 2.82Å; E733-K1192 WeakPolarHBondContact OE2-CE 3.41Å; E733-K1192 IonicContact OE2-NZ 3.8Å; E733-K1192 PolarHBondContact OE2-NZ 3.34Å |
| 734 | L | 84.6 | Confident | 61.6 | Low | 24 Ų | 24 | 74.3 Ų | 74.3 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 138.8 | 172.9 | -68.7 | 164.1 | 0 | 0 | 0 | 109.4 | T737 Q748 Y749 L752 K801 | L734-T737 HydrophobicContact CB-CG2 3.73Å; L734-Q748 HydrophobicContact CD1-CB 3.79Å; L734-Y749 HydrophobicContact CD1-CD1 4.01Å; L734-Y749 HydrophobicContact CD1-CD2 4.03Å; L734-Y749 HydrophobicContact CD1-CE1 3.65Å; L734-Y749 HydrophobicContact CD1-CE2 3.69Å; L734-Y749 HydrophobicContact CD1-CG 4.18Å; L734-Y749 VanDerWaalsContact CD1-CZ 3.47Å; L734-Y749 HydrophobicContact CG-CD1 4.41Å; L734-Y749 HydrophobicContact CG-CE1 3.9Å; L734-L752 HydrophobicContact CD2-CD2 3.85Å; L734-K801 HydrophobicContact CD1-CD 4.49Å |
| 735 | E | 71.2 | Confident | 63.6 | Low | 66 Ų | 66 | 66.5 Ų | 66.5 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -84 | 161 | 173.5 | -154.6 | 136 | -134.5 | 0 | 0 | 110.7 | T737 L1188 K1190 | E735-T737 PolarHBondContact O-N 2.85Å; E735-L1188 PolarHBondContact N-O 3.35Å; E735-K1190 IonicContact OE1-NZ 2.75Å; E735-K1190 PolarHBondContact OE1-NZ 2.91Å |
| 736 | H | 61 | Low | 65.7 | Low | 170 Ų | 170 | 66.9 Ų | 66.9 | 79% | 0.787 | 35% | 0.353 | S | S | * | . | trans | 60.9 | 29.6 | 176.9 | -59.7 | -78 | 0 | 0 | 0 | 118.6 | N738 | H736-N738 VanDerWaalsContact C-N 3.29Å; H736-N738 PolarHBondContact O-N 3.27Å | ||
| 737 | T | 51.7 | Low | 67.4 | Low | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 24 | -175.1 | 67.2 | 0 | 0 | 0 | 0 | 117.1 | L734 E735 | L734-T737 HydrophobicContact CB-CG2 3.73Å; E735-T737 PolarHBondContact O-N 2.85Å |
| 738 | N | 44.8 | Very low | 68.6 | Low | 153 Ų | 153 | 66.3 Ų | 66.3 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -13.7 | -167.6 | -82.1 | 15.4 | 0 | 0 | 0 | 116.6 | H736 | H736-N738 VanDerWaalsContact C-N 3.29Å; H736-N738 PolarHBondContact O-N 3.27Å |
| 739 | E | 44.1 | Very low | 69.3 | Low | 193 Ų | 193 | 65.6 Ų | 65.6 | 90% | 0.902 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -133.3 | 19.5 | -168.9 | -62.9 | -172.6 | 164 | 0 | 0 | 114.6 | ||
| 740 | L | 40.3 | Very low | 70 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 64% | 0.639 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -128.5 | 145.9 | 179.9 | -142.9 | 68.2 | 0 | 0 | 0 | 111.4 | T744 | L740-T744 HydrophobicContact CD2-CG2 4.29Š|
| 741 | P | 45.9 | Very low | 70.2 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | trans | -60.9 | 151.4 | -175.3 | -26.6 | 36.7 | 0 | 0 | 0 | 114.8 | D743 T744 | P741-D743 PolarHBondContact O-N 3.42Å; P741-T744 PolarHBondContact O-N 2.86Å; P741-T744 PolarHBondContact O-OG1 3.19Å | ||
| 742 | S | 50.5 | Low | 70.5 | Confident | 70 Ų | 70 | 70 Ų | 70 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -43.4 | -40.1 | 176.2 | 37.9 | 0 | 0 | 0 | 0 | 113.8 | T744 L745 | S742-T744 PolarHBondContact O-N 3.19Å; S742-L745 WeakPolarHBondContact O-CB 3.43Å; S742-L745 PolarHBondContact O-N 2.99Å |
| 743 | D | 52.9 | Low | 70.7 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 66% | 0.658 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -68.7 | -22 | -167 | -48.2 | -5 | 0 | 0 | 0 | 111.5 | P741 L745 | P741-D743 PolarHBondContact O-N 3.42Å; D743-L745 VanDerWaalsContact C-N 3.34Å |
| 744 | T | 70.8 | Confident | 71 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -83.6 | -2.5 | 177.1 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | L740 P741 S742 M746 D747 Q748 | L740-T744 HydrophobicContact CD2-CG2 4.29Å; P741-T744 PolarHBondContact O-N 2.86Å; P741-T744 PolarHBondContact O-OG1 3.19Å; S742-T744 PolarHBondContact O-N 3.19Å; T744-M746 VanDerWaalsContact C-N 3.29Å; T744-M746 PolarHBondContact O-N 3.49Å; T744-D747 PolarHBondContact O-N 2.84Å; T744-Q748 WeakPolarHBondContact O-CG 3.28Å; T744-Q748 PolarHBondContact O-N 3.38Å; T744-Q748 PolarHBondContact OG1-NE2 3.47Å; T744-Q748 VanDerWaalsContact OG1-NE2 3.17Å |
| 745 | L | 77.2 | Confident | 71.2 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -35.4 | -173.3 | -179 | 152.5 | 0 | 0 | 0 | 112.8 | S742 D743 Y749 K801 L802 | S742-L745 WeakPolarHBondContact O-CB 3.43Å; S742-L745 PolarHBondContact O-N 2.99Å; D743-L745 VanDerWaalsContact C-N 3.34Å; L745-Y749 HydrophobicContact CD2-CD2 4.09Å; L745-Y749 HydrophobicContact CD2-CE2 4.05Å; L745-Y749 HydrophobicContact CG-CE2 4.49Å; L745-Y749 WeakPolarHBondContact O-CD2 3.39Å; L745-K801 HydrophobicContact CD1-CD 3.7Å; L745-K801 HydrophobicContact CD1-CG 3.92Å; L745-K801 HydrophobicContact CG-CD 4Å; L745-L802 HydrophobicContact CD2-CD2 3.92Å; L745-L802 HydrophobicContact CD2-CG 4.38Å |
| 746 | M | 84 | Confident | 72.2 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.8 | -43.3 | 179.3 | -70.8 | -58 | -63.3 | 0 | 0 | 111.9 | T744 Q748 Y749 I750 C816 L820 | T744-M746 VanDerWaalsContact C-N 3.29Å; T744-M746 PolarHBondContact O-N 3.49Å; M746-Q748 PolarHBondContact O-N 2.99Å; M746-Y749 PolarHBondContact O-N 3.31Å; M746-I750 WeakPolarHBondContact O-CG1 3.34Å; M746-I750 PolarHBondContact O-N 3.34Å; M746-C816 HydrophobicContact CE-CB 4.07Å; M746-C816 WeakPolarHBondContact CE-O 3.33Å; M746-C816 HydrophobicContact CG-CB 4.4Å; M746-C816 HydrophobicContact SD-CB 3.65Å; M746-L820 HydrophobicContact CE-CB 4.06Å; M746-L820 HydrophobicContact CE-CD1 4.27Å |
| 747 | D | 83.7 | Confident | 73.6 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -36.3 | 177.7 | -57.3 | -35.5 | 0 | 0 | 0 | 111.9 | T744 Y749 I750 N751 | T744-D747 PolarHBondContact O-N 2.84Å; D747-Y749 VanDerWaalsContact C-N 3.35Å; D747-Y749 PolarHBondContact O-N 3.5Å; D747-I750 PolarHBondContact O-N 3.43Å; D747-N751 VanDerWaalsContact O-CB 3.23Å; D747-N751 WeakPolarHBondContact O-CB 3.49Å; D747-N751 PolarHBondContact O-N 2.93Å |
| 748 | Q | 84.5 | Confident | 75.2 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 174.6 | -67.4 | 164.8 | 22.5 | 0 | 0 | 112.3 | L734 T744 M746 L752 | L734-Q748 HydrophobicContact CD1-CB 3.79Å; T744-Q748 WeakPolarHBondContact O-CG 3.28Å; T744-Q748 PolarHBondContact O-N 3.38Å; T744-Q748 PolarHBondContact OG1-NE2 3.47Å; T744-Q748 VanDerWaalsContact OG1-NE2 3.17Å; M746-Q748 PolarHBondContact O-N 2.99Å; Q748-L752 WeakPolarHBondContact O-CB 3.42Å; Q748-L752 PolarHBondContact O-N 3.35Å; Q748-L752 VanDerWaalsContact O-N 3.16Å |
| 749 | Y | 90.8 | Very high | 76.9 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -78.1 | -35.6 | 177.8 | -77.3 | -65.6 | 0 | 0 | 0 | 112.9 | L734 L745 M746 D747 L752 I753 T794 S797 C798 K801 | L734-Y749 HydrophobicContact CD1-CD1 4.01Å; L734-Y749 HydrophobicContact CD1-CD2 4.03Å; L734-Y749 HydrophobicContact CD1-CE1 3.65Å; L734-Y749 HydrophobicContact CD1-CE2 3.69Å; L734-Y749 HydrophobicContact CD1-CG 4.18Å; L734-Y749 VanDerWaalsContact CD1-CZ 3.47Å; L734-Y749 HydrophobicContact CG-CD1 4.41Å; L734-Y749 HydrophobicContact CG-CE1 3.9Å; L745-Y749 HydrophobicContact CD2-CD2 4.09Å; L745-Y749 HydrophobicContact CD2-CE2 4.05Å; L745-Y749 HydrophobicContact CG-CE2 4.49Å; L745-Y749 WeakPolarHBondContact O-CD2 3.39Å; M746-Y749 PolarHBondContact O-N 3.31Å; D747-Y749 VanDerWaalsContact C-N 3.35Å; D747-Y749 PolarHBondContact O-N 3.5Å; Y749-L752 HydrophobicContact CD1-CD2 4.43Å; Y749-L752 PolarHBondContact O-N 2.8Å; Y749-I753 WeakPolarHBondContact O-CD1 3.35Å; Y749-I753 WeakPolarHBondContact O-CG1 3.38Å; Y749-I753 PolarHBondContact O-N 2.83Å; Y749-T794 HydrophobicContact CD1-CG2 3.89Å; Y749-S797 VanDerWaalsContact OH-C 3.26Å; Y749-S797 PolarHBondContact OH-O 3.17Å; Y749-S797 PolarHBondContact OH-OG 3.06Å; Y749-C798 HydrophobicContact CD1-CB 4.13Å; Y749-C798 HydrophobicContact CD2-CB 3.76Å; Y749-C798 VanDerWaalsContact CD2-SG 3.55Å; Y749-C798 HydrophobicContact CE1-CB 4.11Å; Y749-C798 HydrophobicContact CE2-CB 3.71Å; Y749-C798 HydrophobicContact CG-CB 3.97Å; Y749-K801 HydrophobicContact CE2-CB 4.36Å; Y749-K801 HydrophobicContact CE2-CD 3.79Å; Y749-K801 WeakPolarHBondContact OH-CD 3.3Å |
| 750 | I | 90.7 | Very high | 78.8 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.138 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 172.3 | -77.1 | 167.6 | 0 | 0 | 0 | 110.7 | M746 D747 L752 I753 D754 L820 Y823 | M746-I750 WeakPolarHBondContact O-CG1 3.34Å; M746-I750 PolarHBondContact O-N 3.34Å; D747-I750 PolarHBondContact O-N 3.43Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 2.77Å; I750-I753 WeakPolarHBondContact O-CB 3.24Å; I750-I753 PolarHBondContact O-N 3.28Å; I750-D754 PolarHBondContact O-N 3.42Å; I750-D754 VanDerWaalsContact O-N 3.12Å; I750-L820 HydrophobicContact CG1-CD1 4.45Å; I750-Y823 HydrophobicContact CB-CE1 4.38Å; I750-Y823 HydrophobicContact CG1-CD1 4.28Å; I750-Y823 HydrophobicContact CG1-CE1 4.45Å; I750-Y823 HydrophobicContact CG1-CG 4.39Å; I750-Y823 HydrophobicContact CG2-CD1 4.49Å; I750-Y823 HydrophobicContact CG2-CE1 3.86Å; I750-Y823 HydrophobicContact CG2-CE2 4.05Å |
| 751 | N | 89.1 | Confident | 80.5 | Confident | 84 Ų | 84 | 46.4 Ų | 46.4 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 176.8 | -169.5 | 17.4 | 0 | 0 | 0 | 112 | D747 I753 D754 H755 | D747-N751 VanDerWaalsContact O-CB 3.23Å; D747-N751 WeakPolarHBondContact O-CB 3.49Å; D747-N751 PolarHBondContact O-N 2.93Å; N751-I753 PolarHBondContact O-N 3.05Å; N751-D754 PolarHBondContact O-N 2.69Å; N751-H755 WeakPolarHBondContact O-CB 3.47Å; N751-H755 PolarHBondContact O-CD2 3.41Å; N751-H755 PolarHBondContact O-N 3.15Å; N751-H755 PolarHBondContact OD1-CD2 2.95Å; N751-H755 VanDerWaalsContact OD1-CD2 3.28Å |
| 752 | L | 90.4 | Very high | 81.7 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 174 | 177.7 | 56.9 | 0 | 0 | 0 | 112.5 | I732 L734 Q748 Y749 I750 H755 I756 T794 L1183 I1189 | I732-L752 HydrophobicContact CD1-CD2 4.32Å; L734-L752 HydrophobicContact CD2-CD2 3.85Å; Q748-L752 WeakPolarHBondContact O-CB 3.42Å; Q748-L752 PolarHBondContact O-N 3.35Å; Q748-L752 VanDerWaalsContact O-N 3.16Å; Y749-L752 HydrophobicContact CD1-CD2 4.43Å; Y749-L752 PolarHBondContact O-N 2.8Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 2.77Å; L752-H755 PolarHBondContact O-N 3.45Å; L752-I756 HydrophobicContact CD1-CD1 4.12Å; L752-I756 HydrophobicContact CD1-CG1 4.28Å; L752-I756 HydrophobicContact CG-CD1 4.04Å; L752-I756 WeakPolarHBondContact O-CB 3.25Å; L752-I756 WeakPolarHBondContact O-CD1 3.44Å; L752-I756 VanDerWaalsContact O-CG1 3.26Å; L752-I756 WeakPolarHBondContact O-CG1 3.34Å; L752-I756 PolarHBondContact O-N 3.01Å; L752-T794 HydrophobicContact CD2-CG2 3.8Å; L752-T794 HydrophobicContact CG-CG2 4.06Å; L752-L1183 HydrophobicContact CD1-CD1 4.41Å; L752-I1189 HydrophobicContact CD1-CG2 3.59Å; L752-I1189 HydrophobicContact CD2-CG2 3.52Å; L752-I1189 HydrophobicContact CG-CG2 4.24Å |
| 753 | I | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -47.3 | 174.5 | -71.1 | 155.4 | 0 | 0 | 0 | 110.9 | Y749 I750 N751 H755 I756 L757 L791 T794 L820 Y823 M824 | Y749-I753 WeakPolarHBondContact O-CD1 3.35Å; Y749-I753 WeakPolarHBondContact O-CG1 3.38Å; Y749-I753 PolarHBondContact O-N 2.83Å; I750-I753 WeakPolarHBondContact O-CB 3.24Å; I750-I753 PolarHBondContact O-N 3.28Å; N751-I753 PolarHBondContact O-N 3.05Å; I753-H755 VanDerWaalsContact C-N 3.35Å; I753-H755 PolarHBondContact O-N 3.26Å; I753-I756 WeakPolarHBondContact O-CB 3.48Å; I753-I756 PolarHBondContact O-N 3.27Å; I753-L757 HydrophobicContact CG2-CD1 4.03Å; I753-L757 WeakPolarHBondContact O-CG 3.41Å; I753-L757 PolarHBondContact O-N 3.5Å; I753-L791 HydrophobicContact CB-CD2 4.42Å; I753-L791 HydrophobicContact CG1-CD2 4.14Å; I753-L791 HydrophobicContact CG2-CD2 4.02Å; I753-T794 HydrophobicContact CG1-CG2 4.12Å; I753-L820 HydrophobicContact CD1-CD1 3.46Å; I753-L820 VanDerWaalsContact CD1-CD1 3.46Å; I753-L820 HydrophobicContact CD1-CG 4.01Å; I753-Y823 HydrophobicContact CB-CE1 4.34Å; I753-Y823 HydrophobicContact CD1-CD1 4.2Å; I753-Y823 HydrophobicContact CG2-CD1 4.18Å; I753-Y823 HydrophobicContact CG2-CE1 4.06Å; I753-M824 HydrophobicContact CD1-CG 3.38Å; I753-M824 HydrophobicContact CD1-SD 4.03Å; I753-M824 HydrophobicContact CG1-CG 3.98Å; I753-M824 HydrophobicContact CG2-CG 4.28Å |
| 754 | D | 91.4 | Very high | 83.5 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 20% | 0.203 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 177.5 | -77.7 | 14 | 0 | 0 | 0 | 111.2 | I750 N751 I756 L757 I758 Y823 R827 | I750-D754 PolarHBondContact O-N 3.42Å; I750-D754 VanDerWaalsContact O-N 3.12Å; N751-D754 PolarHBondContact O-N 2.69Å; D754-I756 PolarHBondContact O-N 3.05Å; D754-L757 PolarHBondContact O-N 3.25Å; D754-I758 VanDerWaalsContact O-CG1 3.31Å; D754-I758 WeakPolarHBondContact O-CG1 3.34Å; D754-I758 PolarHBondContact O-N 2.89Å; D754-Y823 WeakPolarHBondContact OD1-CE1 3.33Å; D754-Y823 PolarHBondContact OD1-OH 3.32Å; D754-Y823 PolarHBondContact OD2-OH 2.98Å; D754-R827 IonicContact OD1-CZ 3.3Å; D754-R827 IonicContact OD1-NE 3.51Å; D754-R827 PolarHBondContact OD1-NE 3.49Å; D754-R827 IonicContact OD1-NH2 3.77Å; D754-R827 IonicContact OD2-CZ 3.23Å; D754-R827 IonicContact OD2-NE 2.72Å; D754-R827 IonicContact OD2-NH2 3.54Å; D754-R827 PolarHBondContact OD2-NH2 2.88Å |
| 755 | H | 88.1 | Confident | 83.2 | Confident | 64 Ų | 64 | 40 Ų | 40 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 173.6 | -90.4 | -71.6 | 0 | 0 | 0 | 113.5 | N751 L752 I753 I758 C759 L1183 L1188 | N751-H755 WeakPolarHBondContact O-CB 3.47Å; N751-H755 PolarHBondContact O-CD2 3.41Å; N751-H755 PolarHBondContact O-N 3.15Å; N751-H755 PolarHBondContact OD1-CD2 2.95Å; N751-H755 VanDerWaalsContact OD1-CD2 3.28Å; L752-H755 PolarHBondContact O-N 3.45Å; I753-H755 VanDerWaalsContact C-N 3.35Å; I753-H755 PolarHBondContact O-N 3.26Å; H755-I758 PolarHBondContact O-N 3.17Å; H755-C759 PolarHBondContact O-N 2.81Å; H755-C759 PolarHBondContact O-SG 2.98Å; H755-L1183 HydrophobicContact CB-CD2 3.88Å; H755-L1188 HydrophobicContact CB-CD1 4.08Å |
| 756 | I | 91.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 173.9 | -74.9 | 162.9 | 0 | 0 | 0 | 110.6 | L752 I753 D754 C759 T760 L787 A790 L791 T794 F1179 L1183 | L752-I756 HydrophobicContact CD1-CD1 4.12Å; L752-I756 HydrophobicContact CD1-CG1 4.28Å; L752-I756 HydrophobicContact CG-CD1 4.04Å; L752-I756 WeakPolarHBondContact O-CB 3.25Å; L752-I756 WeakPolarHBondContact O-CD1 3.44Å; L752-I756 VanDerWaalsContact O-CG1 3.26Å; L752-I756 WeakPolarHBondContact O-CG1 3.34Å; L752-I756 PolarHBondContact O-N 3.01Å; I753-I756 WeakPolarHBondContact O-CB 3.48Å; I753-I756 PolarHBondContact O-N 3.27Å; D754-I756 PolarHBondContact O-N 3.05Å; I756-C759 WeakPolarHBondContact O-CB 3.46Å; I756-C759 PolarHBondContact O-N 2.8Å; I756-T760 PolarHBondContact O-N 2.9Å; I756-L787 HydrophobicContact CG2-CD1 3.53Å; I756-A790 HydrophobicContact CD1-CB 4.43Å; I756-A790 HydrophobicContact CG2-CB 4.23Å; I756-L791 HydrophobicContact CB-CD2 4.42Å; I756-L791 HydrophobicContact CD1-CD2 4.38Å; I756-L791 HydrophobicContact CG2-CD2 3.95Å; I756-L791 HydrophobicContact CG2-CG 4.2Å; I756-T794 WeakPolarHBondContact CD1-OG1 3.48Å; I756-F1179 HydrophobicContact CG2-CE1 4.36Å; I756-F1179 HydrophobicContact CG2-CZ 4.38Å; I756-L1183 HydrophobicContact CD1-CD1 4.47Å; I756-L1183 HydrophobicContact CG1-CD1 3.52Å |
| 757 | L | 90.4 | Very high | 80.4 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 179.1 | -69.2 | 165.5 | 0 | 0 | 0 | 112 | I753 D754 C759 T760 Q761 L787 R827 W853 | I753-L757 HydrophobicContact CG2-CD1 4.03Å; I753-L757 WeakPolarHBondContact O-CG 3.41Å; I753-L757 PolarHBondContact O-N 3.5Å; D754-L757 PolarHBondContact O-N 3.25Å; L757-C759 VanDerWaalsContact C-N 3.28Å; L757-C759 PolarHBondContact O-N 2.96Å; L757-T760 PolarHBondContact O-N 3.01Å; L757-T760 VanDerWaalsContact O-N 3.12Å; L757-T760 PolarHBondContact O-OG1 3.34Å; L757-Q761 PolarHBondContact O-N 2.99Å; L757-L787 HydrophobicContact CD2-CD1 3.88Å; L757-L787 HydrophobicContact CD2-CD2 4.18Å; L757-R827 HydrophobicContact CD1-CB 3.55Å; L757-R827 HydrophobicContact CD1-CG 4.32Å; L757-W853 HydrophobicContact CD2-CH2 3.95Å |
| 758 | I | 86.2 | Confident | 78.5 | Confident | 110 Ų | 110 | 41.9 Ų | 41.9 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58 | -41.8 | 170.9 | -68.6 | 164 | 0 | 0 | 0 | 110.9 | D754 H755 T760 Q761 S762 | D754-I758 VanDerWaalsContact O-CG1 3.31Å; D754-I758 WeakPolarHBondContact O-CG1 3.34Å; D754-I758 PolarHBondContact O-N 2.89Å; H755-I758 PolarHBondContact O-N 3.17Å; I758-T760 PolarHBondContact O-N 2.8Å; I758-Q761 PolarHBondContact O-N 3.05Å; I758-S762 PolarHBondContact O-N 3.25Å; I758-S762 VanDerWaalsContact O-N 3.12Å |
| 759 | C | 81.2 | Confident | 76.1 | Confident | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.6 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | H755 I756 L757 Q761 S762 D763 F1179 | H755-C759 PolarHBondContact O-N 2.81Å; H755-C759 PolarHBondContact O-SG 2.98Å; I756-C759 WeakPolarHBondContact O-CB 3.46Å; I756-C759 PolarHBondContact O-N 2.8Å; L757-C759 VanDerWaalsContact C-N 3.28Å; L757-C759 PolarHBondContact O-N 2.96Å; C759-Q761 PolarHBondContact O-N 3.48Å; C759-S762 WeakPolarHBondContact O-CB 3.47Å; C759-S762 PolarHBondContact O-N 2.87Å; C759-S762 PolarHBondContact O-OG 3.27Å; C759-D763 PolarHBondContact O-N 3Å; C759-F1179 HydrophobicContact CB-CE2 4.16Å; C759-F1179 HydrophobicContact CB-CZ 4.12Å |
| 760 | T | 82.1 | Confident | 73.2 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 177.4 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | I756 L757 I758 S762 D763 L764 L787 Y852 F1179 | I756-T760 PolarHBondContact O-N 2.9Å; L757-T760 PolarHBondContact O-N 3.01Å; L757-T760 VanDerWaalsContact O-N 3.12Å; L757-T760 PolarHBondContact O-OG1 3.34Å; I758-T760 PolarHBondContact O-N 2.8Å; T760-S762 VanDerWaalsContact C-N 3.26Å; T760-S762 PolarHBondContact O-N 3.39Å; T760-D763 PolarHBondContact O-N 2.78Å; T760-L764 VanDerWaalsContact O-CB 3.32Å; T760-L764 WeakPolarHBondContact O-CB 3.21Å; T760-L764 PolarHBondContact O-N 3.29Å; T760-L787 HydrophobicContact CG2-CB 3.73Å; T760-L787 HydrophobicContact CG2-CD1 3.65Å; T760-L787 HydrophobicContact CG2-CD2 4.07Å; T760-L787 HydrophobicContact CG2-CG 3.99Å; T760-Y852 VanDerWaalsContact CG2-OH 3.3Å; T760-Y852 WeakPolarHBondContact CG2-OH 3.42Å; T760-F1179 HydrophobicContact CG2-CE2 3.73Å; T760-F1179 HydrophobicContact CG2-CZ 3.54Å |
| 761 | Q | 76.1 | Confident | 70.4 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -33.9 | 177.2 | -173.5 | 64.3 | -3.6 | 0 | 0 | 110.8 | L757 I758 C759 N765 | L757-Q761 PolarHBondContact O-N 2.99Å; I758-Q761 PolarHBondContact O-N 3.05Å; C759-Q761 PolarHBondContact O-N 3.48Å; Q761-N765 VanDerWaalsContact O-CB 3.31Å; Q761-N765 WeakPolarHBondContact O-CB 3.28Å; Q761-N765 PolarHBondContact O-N 3.22Å; Q761-N765 VanDerWaalsContact O-N 3.14Å; Q761-N765 PolarHBondContact O-ND2 3.13Å; Q761-N765 VanDerWaalsContact O-ND2 3.15Å |
| 762 | S | 71.3 | Confident | 67.6 | Low | 58 Ų | 58 | 58.2 Ų | 58.2 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 171.1 | 81.7 | 0 | 0 | 0 | 0 | 112.5 | I758 C759 T760 N765 N766 | I758-S762 PolarHBondContact O-N 3.25Å; I758-S762 VanDerWaalsContact O-N 3.12Å; C759-S762 WeakPolarHBondContact O-CB 3.47Å; C759-S762 PolarHBondContact O-N 2.87Å; C759-S762 PolarHBondContact O-OG 3.27Å; T760-S762 VanDerWaalsContact C-N 3.26Å; T760-S762 PolarHBondContact O-N 3.39Å; S762-N765 PolarHBondContact O-N 2.88Å; S762-N766 VanDerWaalsContact O-CB 3.26Å; S762-N766 WeakPolarHBondContact O-CB 3.49Å; S762-N766 PolarHBondContact O-N 2.83Å; S762-N766 PolarHBondContact O-ND2 3.2Å |
| 763 | D | 69.4 | Low | 64.5 | Low | 47 Ų | 47 | 60.6 Ų | 60.6 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.1 | -41.5 | -178.9 | -148.2 | 23.2 | 0 | 0 | 0 | 111.5 | C759 T760 N765 N766 T767 | C759-D763 PolarHBondContact O-N 3Å; T760-D763 PolarHBondContact O-N 2.78Å; D763-N765 PolarHBondContact O-N 2.94Å; D763-N766 PolarHBondContact O-N 3.38Å; D763-T767 WeakPolarHBondContact O-CB 3.39Å; D763-T767 VanDerWaalsContact O-CG2 3.3Å; D763-T767 WeakPolarHBondContact O-CG2 3.5Å; D763-T767 PolarHBondContact O-N 3.44Å; D763-T767 PolarHBondContact O-OG1 3.12Å; D763-T767 VanDerWaalsContact O-OG1 3.04Å |
| 764 | L | 72 | Confident | 61.4 | Low | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 174.2 | -174.2 | 61 | 0 | 0 | 0 | 111.9 | T760 T767 Q768 P849 | T760-L764 VanDerWaalsContact O-CB 3.32Å; T760-L764 WeakPolarHBondContact O-CB 3.21Å; T760-L764 PolarHBondContact O-N 3.29Å; L764-T767 PolarHBondContact O-OG1 3.12Å; L764-Q768 PolarHBondContact O-N 3.3Å; L764-P849 HydrophobicContact CD1-CG 4.32Å; L764-P849 HydrophobicContact CD2-CB 4.08Å; L764-P849 HydrophobicContact CD2-CG 4.2Å |
| 765 | N | 65.1 | Low | 58.4 | Low | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.353 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -76.1 | -39 | 177.4 | -70.7 | -18.8 | 0 | 0 | 0 | 112.9 | Q761 S762 D763 T767 Q768 K769 | Q761-N765 VanDerWaalsContact O-CB 3.31Å; Q761-N765 WeakPolarHBondContact O-CB 3.28Å; Q761-N765 PolarHBondContact O-N 3.22Å; Q761-N765 VanDerWaalsContact O-N 3.14Å; Q761-N765 PolarHBondContact O-ND2 3.13Å; Q761-N765 VanDerWaalsContact O-ND2 3.15Å; S762-N765 PolarHBondContact O-N 2.88Å; D763-N765 PolarHBondContact O-N 2.94Å; N765-T767 VanDerWaalsContact C-N 3.31Å; N765-T767 PolarHBondContact O-N 3.07Å; N765-Q768 WeakPolarHBondContact O-CB 3.3Å; N765-Q768 PolarHBondContact O-N 2.85Å; N765-K769 PolarHBondContact O-N 2.82Å |
| 766 | N | 54 | Low | 55.7 | Low | 85 Ų | 85 | 79.5 Ų | 79.5 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.8 | -74.3 | -22 | 0 | 0 | 0 | 110.9 | S762 D763 Q768 K769 L770 | S762-N766 VanDerWaalsContact O-CB 3.26Å; S762-N766 WeakPolarHBondContact O-CB 3.49Å; S762-N766 PolarHBondContact O-N 2.83Å; S762-N766 PolarHBondContact O-ND2 3.2Å; D763-N766 PolarHBondContact O-N 3.38Å; N766-Q768 PolarHBondContact O-N 3.1Å; N766-K769 PolarHBondContact O-N 3.01Å; N766-L770 PolarHBondContact O-N 3.19Å |
| 767 | T | 49.2 | Very low | 53.2 | Low | 18 Ų | 18 | 85.1 Ų | 85.1 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -73.8 | -2.3 | 173.3 | 67 | 0 | 0 | 0 | 0 | 114 | D763 L764 N765 S771 K848 | D763-T767 WeakPolarHBondContact O-CB 3.39Å; D763-T767 VanDerWaalsContact O-CG2 3.3Å; D763-T767 WeakPolarHBondContact O-CG2 3.5Å; D763-T767 PolarHBondContact O-N 3.44Å; D763-T767 PolarHBondContact O-OG1 3.12Å; D763-T767 VanDerWaalsContact O-OG1 3.04Å; L764-T767 PolarHBondContact O-OG1 3.12Å; N765-T767 VanDerWaalsContact C-N 3.31Å; N765-T767 PolarHBondContact O-N 3.07Å; T767-S771 PolarHBondContact O-OG 2.92Å; T767-K848 PolarHBondContact O-NZ 3Å; T767-K848 WeakPolarHBondContact OG1-CE 3.37Å; T767-K848 PolarHBondContact OG1-NZ 2.9Å |
| 768 | Q | 43.8 | Very low | 50.6 | Low | 79 Ų | 79 | 90.2 Ų | 90.2 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -83.9 | -46.6 | 161.4 | -69.8 | 176.4 | 17.9 | 0 | 0 | 110.9 | L764 N765 N766 L770 S771 | L764-Q768 PolarHBondContact O-N 3.3Å; N765-Q768 WeakPolarHBondContact O-CB 3.3Å; N765-Q768 PolarHBondContact O-N 2.85Å; N766-Q768 PolarHBondContact O-N 3.1Å; Q768-L770 PolarHBondContact O-N 2.92Å; Q768-S771 WeakPolarHBondContact O-CB 3.37Å; Q768-S771 PolarHBondContact O-N 2.99Å; Q768-S771 PolarHBondContact O-OG 3.28Å |
| 769 | K | 34 | Very low | 48.4 | Very low | 161 Ų | 161 | 93.9 Ų | 93.9 | 70% | 0.7 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -41.9 | 177.8 | -72.4 | -172.1 | 174.8 | -176.4 | 0 | 113 | N765 N766 S771 L772 S773 | N765-K769 PolarHBondContact O-N 2.82Å; N766-K769 PolarHBondContact O-N 3.01Å; K769-S771 PolarHBondContact O-N 3.16Å; K769-L772 PolarHBondContact O-N 3.08Å; K769-S773 PolarHBondContact O-N 3.39Å |
| 770 | L | 30.1 | Very low | 46.7 | Very low | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.6 | 175.5 | -73.7 | 166.8 | 0 | 0 | 0 | 114.6 | N766 Q768 | N766-L770 PolarHBondContact O-N 3.19Å; Q768-L770 PolarHBondContact O-N 2.92Å |
| 771 | S | 30.7 | Very low | 45.3 | Very low | 80 Ų | 80 | 105.1 Ų | 105.1 | 56% | 0.559 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -10 | 170.9 | -14.4 | 0 | 0 | 0 | 0 | 113.3 | T767 Q768 K769 | T767-S771 PolarHBondContact O-OG 2.92Å; Q768-S771 WeakPolarHBondContact O-CB 3.37Å; Q768-S771 PolarHBondContact O-N 2.99Å; Q768-S771 PolarHBondContact O-OG 3.28Å; K769-S771 PolarHBondContact O-N 3.16Å |
| 772 | L | 30.6 | Very low | 44.8 | Very low | 162 Ų | 162 | 102.9 Ų | 102.9 | 85% | 0.848 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -15.5 | -175.2 | -79.7 | 162.5 | 0 | 0 | 0 | 113.6 | K769 | K769-L772 PolarHBondContact O-N 3.08Š|
| 773 | S | 25.1 | Very low | 45.3 | Very low | 55 Ų | 55 | 100.5 Ų | 100.5 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | trans | -98.1 | 114.2 | 173.7 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | K769 E775 | K769-S773 PolarHBondContact O-N 3.39Å; S773-E775 PolarHBondContact O-N 3.19Å | ||
| 774 | H | 28.2 | Very low | 46.1 | Very low | 200 Ų | 200 | 100.4 Ų | 100.4 | 93% | 0.926 | 52% | 0.521 | S | S | * | . | trans | -80.2 | 48.4 | 178.6 | -160.9 | -63 | 0 | 0 | 0 | 112 | ||||
| 775 | E | 28.5 | Very low | 47 | Very low | 162 Ų | 162 | 99.9 Ų | 99.9 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | trans | -98.4 | 155.9 | -176.7 | -72.2 | -70.6 | 143.9 | 0 | 0 | 111.4 | S773 | S773-E775 PolarHBondContact O-N 3.19Š| ||
| 776 | D | 30.9 | Very low | 48.2 | Very low | 136 Ų | 136 | 96.7 Ų | 96.7 | 73% | 0.727 | 50% | 0.502 | S | S | * | . | trans | -58.9 | 142.1 | -165.7 | -89.6 | -48.8 | 0 | 0 | 0 | 115 | V778 | D776-V778 HydrophobicContact CB-CG2 4.06Å; D776-V778 PolarHBondContact O-N 3.31Å | ||
| 777 | P | 38.1 | Very low | 50 | Low | 119 Ų | 119 | 92.7 Ų | 92.7 | 77% | 0.773 | 48% | 0.48 | S | S | * | . | trans | -77.4 | 61.3 | -177.4 | 33.4 | -37.2 | 0 | 0 | 0 | 112.8 | K779 | P777-K779 PolarHBondContact O-N 3.08Š| ||
| 778 | V | 36.8 | Very low | 52.1 | Low | 126 Ų | 126 | 91.9 Ų | 91.9 | 76% | 0.764 | 48% | 0.475 | S | S | * | . | trans | -76.2 | 60.2 | 177.5 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | D776 S780 | D776-V778 HydrophobicContact CB-CG2 4.06Å; D776-V778 PolarHBondContact O-N 3.31Å; V778-S780 PolarHBondContact O-N 3.5Å | ||
| 779 | K | 40.1 | Very low | 54.4 | Low | 187 Ų | 187 | 88.1 Ų | 88.1 | 81% | 0.813 | 46% | 0.458 | S | S | * | . | trans | 45.2 | 41.2 | 152.8 | -61.3 | -179.2 | -178 | 170.3 | 0 | 118.8 | P777 R781 | P777-K779 PolarHBondContact O-N 3.08Å; K779-R781 VanDerWaalsContact C-N 3.31Å; K779-R781 PolarHBondContact O-N 3.12Å | ||
| 780 | S | 45.4 | Very low | 57.1 | Low | 92 Ų | 92 | 80.5 Ų | 80.5 | 64% | 0.643 | 42% | 0.424 | S | S | * | . | trans | -70 | 89.9 | 152 | 60 | 0 | 0 | 0 | 0 | 109.2 | V778 S782 | V778-S780 PolarHBondContact O-N 3.5Å; S780-S782 PolarHBondContact O-N 2.83Å | ||
| 781 | R | 51.8 | Low | 60.2 | Low | 164 Ų | 164 | 75.5 Ų | 75.5 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | trans | -70.4 | 77.4 | 175.7 | -83.9 | -170.4 | 169.1 | 174.1 | 0.1 | 110.1 | K779 F783 D1174 G1175 | K779-R781 VanDerWaalsContact C-N 3.31Å; K779-R781 PolarHBondContact O-N 3.12Å; R781-F783 PolarHBondContact O-N 3Å; R781-D1174 IonicContact CZ-OD2 2.58Å; R781-D1174 IonicContact NH1-OD2 3.88Å; R781-D1174 PolarHBondContact NH1-OD2 2.87Å; R781-G1175 VanDerWaalsContact O-CA 3.28Å; R781-G1175 WeakPolarHBondContact O-CA 3.26Å | ||
| 782 | S | 65.3 | Low | 63.1 | Low | 45 Ų | 45 | 71.7 Ų | 71.7 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | trans | -59.2 | 108.2 | 177.5 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | S780 Y784 | S780-S782 PolarHBondContact O-N 2.83Å; S782-Y784 VanDerWaalsContact O-CD2 3.22Å; S782-Y784 WeakPolarHBondContact O-CD2 3.4Å; S782-Y784 PolarHBondContact O-N 3.08Å; S782-Y784 VanDerWaalsContact OG-CE2 3.27Å; S782-Y784 WeakPolarHBondContact OG-CE2 3.29Å | ||
| 783 | F | 82.8 | Confident | 66 | Low | 9 Ų | 9 | 64.1 Ų | 64.1 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | trans | -82.6 | 98.5 | 178 | 178.1 | -132.3 | 0 | 0 | 0 | 109.7 | R781 L785 S786 Y789 L1169 P1173 D1174 L1176 | R781-F783 PolarHBondContact O-N 3Å; F783-L785 HydrophobicContact CE1-CB 4.17Å; F783-L785 HydrophobicContact CE2-CB 3.94Å; F783-L785 HydrophobicContact CZ-CB 3.65Å; F783-L785 PolarHBondContact O-N 2.64Å; F783-S786 WeakPolarHBondContact O-CB 3.42Å; F783-S786 PolarHBondContact O-N 3.15Å; F783-S786 PolarHBondContact O-OG 3.26Å; F783-S786 VanDerWaalsContact O-OG 3.12Å; F783-Y789 HydrophobicContact CE1-CD1 4.38Å; F783-Y789 AromaticContact CE1-CD2 3.94Å; F783-Y789 HydrophobicContact CE1-CD2 3.94Å; F783-Y789 HydrophobicContact CE1-CE2 4.38Å; F783-Y789 AromaticContact CE1-CG 3.96Å; F783-Y789 HydrophobicContact CE1-CG 3.96Å; F783-Y789 AromaticContact CZ-CD2 3.96Å; F783-Y789 HydrophobicContact CZ-CD2 3.96Å; F783-Y789 AromaticContact CZ-CE2 3.94Å; F783-Y789 HydrophobicContact CZ-CE2 3.94Å; F783-Y789 HydrophobicContact CZ-CG 4.32Å; F783-L1169 HydrophobicContact CE2-CD1 3.69Å; F783-L1169 HydrophobicContact CZ-CD1 3.58Å; F783-P1173 HydrophobicContact CD1-CB 4.16Å; F783-P1173 HydrophobicContact CD2-CB 4.41Å; F783-P1173 HydrophobicContact CE1-CB 3.85Å; F783-P1173 HydrophobicContact CE1-CG 4.09Å; F783-P1173 HydrophobicContact CE2-CB 4.15Å; F783-P1173 HydrophobicContact CG-CB 4.44Å; F783-P1173 HydrophobicContact CZ-CB 3.85Å; F783-P1173 HydrophobicContact CZ-CG 4.06Å; F783-D1174 WeakPolarHBondContact CB-O 3.27Å; F783-L1176 HydrophobicContact CD1-CB 3.98Å; F783-L1176 HydrophobicContact CD1-CD1 4.29Å; F783-L1176 HydrophobicContact CE1-CB 4.39Å; F783-L1176 HydrophobicContact CE1-CD1 4.41Å | ||
| 784 | Y | 86 | Confident | 69.2 | Low | 45 Ų | 45 | 61.5 Ų | 61.5 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.6 | -172.1 | -75.1 | -104.9 | 0 | 0 | 0 | 115.3 | S782 Y852 N856 K977 | S782-Y784 VanDerWaalsContact O-CD2 3.22Å; S782-Y784 WeakPolarHBondContact O-CD2 3.4Å; S782-Y784 PolarHBondContact O-N 3.08Å; S782-Y784 VanDerWaalsContact OG-CE2 3.27Å; S782-Y784 WeakPolarHBondContact OG-CE2 3.29Å; Y784-Y852 HydrophobicContact CD1-CD2 4.15Å; Y784-Y852 WeakPolarHBondContact O-CE2 3.11Å; Y784-N856 PolarHBondContact O-ND2 3.49Å; Y784-K977 VanDerWaalsContact CB-O 3.3Å; Y784-K977 WeakPolarHBondContact CB-O 3.15Å; Y784-K977 WeakPolarHBondContact CD2-O 3.39Å; Y784-K977 HydrophobicContact CE1-CB 4.44Å; Y784-K977 HydrophobicContact CE2-CB 4.48Å; Y784-K977 VanDerWaalsContact CG-O 3.29Å |
| 785 | L | 91.5 | Very high | 72.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 15.2 | 172.2 | -67.2 | 178.1 | 0 | 0 | 0 | 113.4 | F783 L787 A788 Y789 N856 E859 R979 V1164 | F783-L785 HydrophobicContact CE1-CB 4.17Å; F783-L785 HydrophobicContact CE2-CB 3.94Å; F783-L785 HydrophobicContact CZ-CB 3.65Å; F783-L785 PolarHBondContact O-N 2.64Å; L785-L787 VanDerWaalsContact C-N 3.26Å; L785-L787 PolarHBondContact O-N 2.82Å; L785-A788 PolarHBondContact O-N 3.08Å; L785-Y789 HydrophobicContact CB-CD2 4.19Å; L785-Y789 HydrophobicContact CB-CE2 4.19Å; L785-Y789 VanDerWaalsContact O-CD2 3.28Å; L785-Y789 WeakPolarHBondContact O-CD2 3.24Å; L785-Y789 PolarHBondContact O-N 3.27Å; L785-N856 VanDerWaalsContact C-OD1 3.31Å; L785-N856 VanDerWaalsContact CA-OD1 3.28Å; L785-N856 WeakPolarHBondContact CA-OD1 3.38Å; L785-N856 PolarHBondContact O-OD1 3.14Å; L785-E859 HydrophobicContact CD1-CG 4.21Å; L785-E859 HydrophobicContact CD2-CB 4.28Å; L785-R979 HydrophobicContact CD1-CB 3.93Å; L785-R979 HydrophobicContact CG-CB 4.25Å; L785-V1164 HydrophobicContact CD1-CB 3.94Å; L785-V1164 HydrophobicContact CD1-CG1 4.48Å; L785-V1164 HydrophobicContact CD1-CG2 3.6Å |
| 786 | S | 89 | Confident | 75 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.1 | -38.5 | -176.9 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | F783 Y789 A790 F1179 | F783-S786 WeakPolarHBondContact O-CB 3.42Å; F783-S786 PolarHBondContact O-N 3.15Å; F783-S786 PolarHBondContact O-OG 3.26Å; F783-S786 VanDerWaalsContact O-OG 3.12Å; S786-Y789 PolarHBondContact O-N 2.85Å; S786-A790 WeakPolarHBondContact O-CB 3.29Å; S786-A790 PolarHBondContact O-N 2.81Å; S786-F1179 VanDerWaalsContact CB-CG 3.43Å; S786-F1179 WeakPolarHBondContact OG-CD2 2.91Å |
| 787 | L | 92.9 | Very high | 77.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -52.4 | 179.4 | 176.7 | 60.6 | 0 | 0 | 0 | 111.9 | I756 L757 T760 L785 Y789 A790 L791 Y852 W853 N856 | I756-L787 HydrophobicContact CG2-CD1 3.53Å; L757-L787 HydrophobicContact CD2-CD1 3.88Å; L757-L787 HydrophobicContact CD2-CD2 4.18Å; T760-L787 HydrophobicContact CG2-CB 3.73Å; T760-L787 HydrophobicContact CG2-CD1 3.65Å; T760-L787 HydrophobicContact CG2-CD2 4.07Å; T760-L787 HydrophobicContact CG2-CG 3.99Å; L785-L787 VanDerWaalsContact C-N 3.26Å; L785-L787 PolarHBondContact O-N 2.82Å; L787-Y789 VanDerWaalsContact C-N 3.26Å; L787-Y789 PolarHBondContact O-N 2.87Å; L787-A790 PolarHBondContact O-N 2.82Å; L787-L791 HydrophobicContact CD1-CD1 3.58Å; L787-L791 HydrophobicContact CD1-CD2 4.36Å; L787-L791 HydrophobicContact CD1-CG 3.65Å; L787-L791 HydrophobicContact CG-CD1 3.93Å; L787-L791 HydrophobicContact CG-CG 4.32Å; L787-L791 VanDerWaalsContact O-CB 3.31Å; L787-L791 WeakPolarHBondContact O-CB 3.36Å; L787-L791 WeakPolarHBondContact O-CG 3.21Å; L787-L791 PolarHBondContact O-N 2.7Å; L787-Y852 HydrophobicContact CD2-CE1 4.39Å; L787-W853 HydrophobicContact CD2-CE3 4.21Å; L787-W853 HydrophobicContact CD2-CH2 3.49Å; L787-W853 VanDerWaalsContact CD2-CH2 3.49Å; L787-W853 HydrophobicContact CD2-CZ3 3.28Å; L787-N856 HydrophobicContact CB-CB 4.38Å; L787-N856 WeakPolarHBondContact CB-OD1 3.5Å; L787-N856 HydrophobicContact CD2-CB 4.3Å |
| 788 | A | 92 | Very high | 80 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L785 Y792 N856 E859 L860 F863 | L785-A788 PolarHBondContact O-N 3.08Å; A788-Y792 VanDerWaalsContact O-CB 3.23Å; A788-Y792 WeakPolarHBondContact O-CB 3.36Å; A788-Y792 PolarHBondContact O-N 3.08Å; A788-N856 HydrophobicContact CB-CB 4.31Å; A788-N856 WeakPolarHBondContact CB-O 3.23Å; A788-N856 PolarHBondContact N-OD1 3.05Å; A788-E859 HydrophobicContact CB-CB 4.22Å; A788-L860 HydrophobicContact CB-CB 4.14Å; A788-F863 HydrophobicContact CB-CE2 4.42Å |
| 789 | Y | 92.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.9 | -42.5 | 178.7 | -78.1 | -115.8 | 0 | 0 | 0 | 112 | F783 L785 S786 L787 Y792 L793 E859 F863 L1169 P1173 L1176 W1206 | F783-Y789 HydrophobicContact CE1-CD1 4.38Å; F783-Y789 AromaticContact CE1-CD2 3.94Å; F783-Y789 HydrophobicContact CE1-CD2 3.94Å; F783-Y789 HydrophobicContact CE1-CE2 4.38Å; F783-Y789 AromaticContact CE1-CG 3.96Å; F783-Y789 HydrophobicContact CE1-CG 3.96Å; F783-Y789 AromaticContact CZ-CD2 3.96Å; F783-Y789 HydrophobicContact CZ-CD2 3.96Å; F783-Y789 AromaticContact CZ-CE2 3.94Å; F783-Y789 HydrophobicContact CZ-CE2 3.94Å; F783-Y789 HydrophobicContact CZ-CG 4.32Å; L785-Y789 HydrophobicContact CB-CD2 4.19Å; L785-Y789 HydrophobicContact CB-CE2 4.19Å; L785-Y789 VanDerWaalsContact O-CD2 3.28Å; L785-Y789 WeakPolarHBondContact O-CD2 3.24Å; L785-Y789 PolarHBondContact O-N 3.27Å; S786-Y789 PolarHBondContact O-N 2.85Å; L787-Y789 VanDerWaalsContact C-N 3.26Å; L787-Y789 PolarHBondContact O-N 2.87Å; Y789-Y792 PolarHBondContact O-N 3.23Å; Y789-L793 WeakPolarHBondContact O-CB 3.4Å; Y789-L793 WeakPolarHBondContact O-CD1 3.36Å; Y789-L793 WeakPolarHBondContact O-CG 3.47Å; Y789-L793 PolarHBondContact O-N 2.75Å; Y789-E859 HydrophobicContact CE2-CG 4.19Å; Y789-F863 HydrophobicContact CD1-CZ 4.39Å; Y789-F863 AromaticContact CD2-CE2 3.9Å; Y789-F863 HydrophobicContact CD2-CE2 3.9Å; Y789-F863 AromaticContact CD2-CZ 3.99Å; Y789-F863 HydrophobicContact CD2-CZ 3.99Å; Y789-F863 HydrophobicContact CE1-CZ 4.08Å; Y789-F863 AromaticContact CE2-CE2 3.93Å; Y789-F863 HydrophobicContact CE2-CE2 3.93Å; Y789-F863 AromaticContact CE2-CZ 3.63Å; Y789-F863 HydrophobicContact CE2-CZ 3.63Å; Y789-F863 HydrophobicContact CG-CE2 4.34Å; Y789-F863 HydrophobicContact CG-CZ 4.35Å; Y789-F863 AromaticContact CZ-CZ 3.67Å; Y789-L1169 HydrophobicContact CE1-CD1 4.29Å; Y789-L1169 HydrophobicContact CE2-CD1 4.38Å; Y789-L1169 VanDerWaalsContact OH-CD1 3.32Å; Y789-L1169 WeakPolarHBondContact OH-CD1 3.26Å; Y789-P1173 HydrophobicContact CD1-CG 4.12Å; Y789-P1173 HydrophobicContact CE1-CG 3.95Å; Y789-L1176 HydrophobicContact CD1-CD2 4.28Å; Y789-W1206 AromaticContact CD1-CD2 3.84Å; Y789-W1206 HydrophobicContact CD1-CD2 3.84Å; Y789-W1206 AromaticContact CD1-CE2 3.94Å; Y789-W1206 AromaticContact CD1-CE3 3.66Å; Y789-W1206 HydrophobicContact CD1-CE3 3.66Å; Y789-W1206 AromaticContact CD1-CH2 3.8Å; Y789-W1206 HydrophobicContact CD1-CH2 3.8Å; Y789-W1206 AromaticContact CD1-CZ2 3.95Å; Y789-W1206 HydrophobicContact CD1-CZ2 3.95Å; Y789-W1206 AromaticContact CD1-CZ3 3.65Å; Y789-W1206 HydrophobicContact CD1-CZ3 3.65Å; Y789-W1206 AromaticContact CE1-CD2 3.47Å; Y789-W1206 HydrophobicContact CE1-CD2 3.47Å; Y789-W1206 VanDerWaalsContact CE1-CD2 3.47Å; Y789-W1206 AromaticContact CE1-CE2 3.71Å; Y789-W1206 AromaticContact CE1-CE3 3.7Å; Y789-W1206 HydrophobicContact CE1-CE3 3.7Å; Y789-W1206 AromaticContact CE1-CG 3.84Å; Y789-W1206 HydrophobicContact CE1-CG 3.84Å; Y789-W1206 HydrophobicContact CE1-CH2 4.4Å; Y789-W1206 HydrophobicContact CE1-CZ2 4.19Å; Y789-W1206 HydrophobicContact CE1-CZ3 4.17Å |
| 790 | A | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I756 S786 L787 L793 T794 F1179 L1180 | I756-A790 HydrophobicContact CD1-CB 4.43Å; I756-A790 HydrophobicContact CG2-CB 4.23Å; S786-A790 WeakPolarHBondContact O-CB 3.29Å; S786-A790 PolarHBondContact O-N 2.81Å; L787-A790 PolarHBondContact O-N 2.82Å; A790-L793 PolarHBondContact O-N 2.84Å; A790-T794 PolarHBondContact O-N 2.72Å; A790-T794 PolarHBondContact O-OG1 2.71Å; A790-F1179 HydrophobicContact CB-CD1 4.2Å; A790-F1179 HydrophobicContact CB-CE1 3.75Å; A790-L1180 HydrophobicContact CB-CD2 3.84Å |
| 791 | L | 93.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 173.5 | -76.1 | -176.2 | 0 | 0 | 0 | 111.4 | I753 I756 L787 L793 T794 Y795 M824 I828 L860 | I753-L791 HydrophobicContact CB-CD2 4.42Å; I753-L791 HydrophobicContact CG1-CD2 4.14Å; I753-L791 HydrophobicContact CG2-CD2 4.02Å; I756-L791 HydrophobicContact CB-CD2 4.42Å; I756-L791 HydrophobicContact CD1-CD2 4.38Å; I756-L791 HydrophobicContact CG2-CD2 3.95Å; I756-L791 HydrophobicContact CG2-CG 4.2Å; L787-L791 HydrophobicContact CD1-CD1 3.58Å; L787-L791 HydrophobicContact CD1-CD2 4.36Å; L787-L791 HydrophobicContact CD1-CG 3.65Å; L787-L791 HydrophobicContact CG-CD1 3.93Å; L787-L791 HydrophobicContact CG-CG 4.32Å; L787-L791 VanDerWaalsContact O-CB 3.31Å; L787-L791 WeakPolarHBondContact O-CB 3.36Å; L787-L791 WeakPolarHBondContact O-CG 3.21Å; L787-L791 PolarHBondContact O-N 2.7Å; L791-L793 PolarHBondContact O-N 3.48Å; L791-T794 WeakPolarHBondContact O-CB 3.3Å; L791-T794 PolarHBondContact O-N 3.27Å; L791-T794 VanDerWaalsContact O-N 3.15Å; L791-Y795 PolarHBondContact O-N 3.49Å; L791-M824 HydrophobicContact CB-CE 3.58Å; L791-M824 HydrophobicContact CD2-CE 4.11Å; L791-M824 HydrophobicContact CG-CE 4.27Å; L791-M824 VanDerWaalsContact O-CE 3.27Å; L791-M824 WeakPolarHBondContact O-CE 3.01Å; L791-I828 HydrophobicContact CD1-CD1 3.72Å; L791-I828 HydrophobicContact CD1-CG1 4.17Å; L791-L860 HydrophobicContact CB-CD1 4.43Å; L791-L860 HydrophobicContact CB-CD2 4.43Å; L791-L860 HydrophobicContact CD1-CD2 3.99Å |
| 792 | Y | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 177.2 | -172.8 | -96.9 | 0 | 0 | 0 | 113 | L728 A788 Y789 T794 Y795 R796 F863 F864 D867 M1210 | L728-Y792 HydrophobicContact CD1-CE1 4.38Å; A788-Y792 VanDerWaalsContact O-CB 3.23Å; A788-Y792 WeakPolarHBondContact O-CB 3.36Å; A788-Y792 PolarHBondContact O-N 3.08Å; Y789-Y792 PolarHBondContact O-N 3.23Å; Y792-T794 VanDerWaalsContact C-N 3.31Å; Y792-T794 PolarHBondContact O-N 3.34Å; Y792-Y795 HydrophobicContact CD2-CD1 4.28Å; Y792-Y795 HydrophobicContact CE2-CD1 4.01Å; Y792-Y795 WeakPolarHBondContact O-CB 3.41Å; Y792-Y795 PolarHBondContact O-N 3.24Å; Y792-R796 HydrophobicContact CD1-CG 4.18Å; Y792-R796 HydrophobicContact CE1-CG 3.52Å; Y792-R796 HydrophobicContact CE2-CG 4.46Å; Y792-R796 WeakPolarHBondContact O-CB 3.36Å; Y792-R796 PolarHBondContact O-N 3.34Å; Y792-R796 VanDerWaalsContact OH-CZ 3.25Å; Y792-R796 PolarHBondContact OH-NE 3.49Å; Y792-R796 PolarHBondContact OH-NH2 2.69Å; Y792-F863 HydrophobicContact CD2-CB 3.59Å; Y792-F863 HydrophobicContact CD2-CD2 4.31Å; Y792-F863 HydrophobicContact CD2-CG 4.1Å; Y792-F863 HydrophobicContact CE2-CB 3.85Å; Y792-F863 HydrophobicContact CG-CB 4.13Å; Y792-F863 HydrophobicContact CG-CD2 4.04Å; Y792-F863 HydrophobicContact CG-CG 4.13Å; Y792-F864 HydrophobicContact CD2-CD1 4.03Å; Y792-F864 AromaticContact CD2-CE1 3.97Å; Y792-F864 HydrophobicContact CD2-CE1 3.97Å; Y792-F864 HydrophobicContact CE2-CD1 4.18Å; Y792-F864 HydrophobicContact CE2-CE1 4.43Å; Y792-D867 WeakPolarHBondContact CE2-OD2 3.36Å; Y792-D867 PolarHBondContact OH-OD2 3.46Å; Y792-M1210 HydrophobicContact CD1-CE 3.71Å; Y792-M1210 HydrophobicContact CD1-SD 4.42Å; Y792-M1210 HydrophobicContact CE1-CE 3.19Å; Y792-M1210 HydrophobicContact CE1-SD 3.35Å; Y792-M1210 WeakPolarHBondContact CE1-SD 3.48Å; Y792-M1210 PolarHBondContact OH-SD 2.84Å |
| 793 | L | 91.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.9 | -36.9 | 171.3 | -74.6 | 165.9 | 0 | 0 | 0 | 112.3 | L728 L730 I732 Y789 A790 L791 S797 L1176 L1180 W1206 | L728-L793 HydrophobicContact CD1-CD2 4.01Å; L730-L793 HydrophobicContact CB-CD2 4.29Å; L730-L793 HydrophobicContact CD2-CD1 3.92Å; L730-L793 HydrophobicContact CG-CD1 4.44Å; L730-L793 WeakPolarHBondContact O-CD2 3.38Å; I732-L793 HydrophobicContact CD1-CB 4.1Å; I732-L793 HydrophobicContact CG1-CB 4.25Å; I732-L793 HydrophobicContact CG2-CB 4.26Å; I732-L793 HydrophobicContact CG2-CD1 4.42Å; Y789-L793 WeakPolarHBondContact O-CB 3.4Å; Y789-L793 WeakPolarHBondContact O-CD1 3.36Å; Y789-L793 WeakPolarHBondContact O-CG 3.47Å; Y789-L793 PolarHBondContact O-N 2.75Å; A790-L793 PolarHBondContact O-N 2.84Å; L791-L793 PolarHBondContact O-N 3.48Å; L793-S797 WeakPolarHBondContact O-CB 3.49Å; L793-S797 PolarHBondContact O-N 3.16Å; L793-L1176 HydrophobicContact CD1-CD2 4.25Å; L793-L1180 HydrophobicContact CD1-CD1 4.44Å; L793-W1206 HydrophobicContact CD1-CH2 4.26Å; L793-W1206 HydrophobicContact CD2-CH2 4.16Å; L793-W1206 HydrophobicContact CD2-CZ3 4.25Å; L793-W1206 HydrophobicContact CG-CH2 4.34Å; L793-W1206 HydrophobicContact CG-CZ3 4.33Å |
| 794 | T | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | I732 Y749 L752 I753 I756 A790 L791 Y792 S797 C798 | I732-T794 WeakPolarHBondContact CD1-OG1 3.46Å; Y749-T794 HydrophobicContact CD1-CG2 3.89Å; L752-T794 HydrophobicContact CD2-CG2 3.8Å; L752-T794 HydrophobicContact CG-CG2 4.06Å; I753-T794 HydrophobicContact CG1-CG2 4.12Å; I756-T794 WeakPolarHBondContact CD1-OG1 3.48Å; A790-T794 PolarHBondContact O-N 2.72Å; A790-T794 PolarHBondContact O-OG1 2.71Å; L791-T794 WeakPolarHBondContact O-CB 3.3Å; L791-T794 PolarHBondContact O-N 3.27Å; L791-T794 VanDerWaalsContact O-N 3.15Å; Y792-T794 VanDerWaalsContact C-N 3.31Å; Y792-T794 PolarHBondContact O-N 3.34Å; T794-S797 WeakPolarHBondContact O-CB 3.41Å; T794-S797 PolarHBondContact O-N 2.88Å; T794-C798 PolarHBondContact O-N 3.45Å |
| 795 | Y | 91.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56 | -51.5 | 173.9 | 175.9 | -104.8 | 0 | 0 | 0 | 112.1 | L791 Y792 S797 C798 I799 I817 L820 T821 F864 L870 | L791-Y795 PolarHBondContact O-N 3.49Å; Y792-Y795 HydrophobicContact CD2-CD1 4.28Å; Y792-Y795 HydrophobicContact CE2-CD1 4.01Å; Y792-Y795 WeakPolarHBondContact O-CB 3.41Å; Y792-Y795 PolarHBondContact O-N 3.24Å; Y795-S797 VanDerWaalsContact C-N 3.34Å; Y795-S797 PolarHBondContact O-N 3.47Å; Y795-C798 WeakPolarHBondContact O-CB 3.33Å; Y795-C798 PolarHBondContact O-N 3.07Å; Y795-C798 VanDerWaalsContact O-N 3.14Å; Y795-I799 HydrophobicContact CD1-CD1 3.85Å; Y795-I799 HydrophobicContact CE1-CD1 3.19Å; Y795-I799 HydrophobicContact CE1-CG1 4.05Å; Y795-I799 HydrophobicContact CE2-CD1 4.33Å; Y795-I799 HydrophobicContact CE2-CG1 4.33Å; Y795-I799 VanDerWaalsContact CZ-CD1 3.42Å; Y795-I799 PolarHBondContact O-N 2.81Å; Y795-I799 WeakPolarHBondContact OH-CD1 3.45Å; Y795-I817 HydrophobicContact CE2-CG2 4.11Å; Y795-I817 WeakPolarHBondContact OH-CG2 3.44Å; Y795-L820 HydrophobicContact CD2-CD2 4.21Å; Y795-T821 WeakPolarHBondContact CE2-OG1 3.41Å; Y795-F864 HydrophobicContact CD1-CD1 4.26Å; Y795-F864 AromaticContact CD1-CE1 3.76Å; Y795-F864 HydrophobicContact CD1-CE1 3.76Å; Y795-F864 HydrophobicContact CD2-CE1 4.14Å; Y795-F864 HydrophobicContact CE1-CD1 4.48Å; Y795-F864 HydrophobicContact CE1-CE1 4.33Å; Y795-F864 AromaticContact CG-CE1 3.7Å; Y795-F864 HydrophobicContact CG-CE1 3.7Å; Y795-F864 HydrophobicContact CG-CZ 4.38Å; Y795-L870 HydrophobicContact CE1-CD1 3.89Å; Y795-L870 HydrophobicContact CE1-CG 4.14Å; Y795-L870 HydrophobicContact CE2-CD2 4.44Å; Y795-L870 WeakPolarHBondContact OH-CD2 3.29Å; Y795-L870 WeakPolarHBondContact OH-CG 3.36Å |
| 796 | R | 88.3 | Confident | 85.2 | Confident | 45 Ų | 45 | 26.5 Ų | 26.5 | 17% | 0.17 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -35.5 | 176.2 | -81.3 | -71.1 | -166.4 | -161.4 | -5.4 | 113.7 | L728 Y792 C798 K800 D867 D869 | L728-R796 HydrophobicContact CD1-CB 4.36Å; L728-R796 HydrophobicContact CD1-CG 4.13Å; Y792-R796 HydrophobicContact CD1-CG 4.18Å; Y792-R796 HydrophobicContact CE1-CG 3.52Å; Y792-R796 HydrophobicContact CE2-CG 4.46Å; Y792-R796 WeakPolarHBondContact O-CB 3.36Å; Y792-R796 PolarHBondContact O-N 3.34Å; Y792-R796 VanDerWaalsContact OH-CZ 3.25Å; Y792-R796 PolarHBondContact OH-NE 3.49Å; Y792-R796 PolarHBondContact OH-NH2 2.69Å; R796-C798 VanDerWaalsContact C-N 3.34Å; R796-K800 WeakPolarHBondContact O-CB 3.46Å; R796-K800 PolarHBondContact O-N 2.9Å; R796-D867 IonicContact CZ-OD1 3.4Å; R796-D867 IonicContact CZ-OD2 2.6Å; R796-D867 VanDerWaalsContact CZ-OD2 3.23Å; R796-D867 IonicContact NE-OD2 2.63Å; R796-D867 PolarHBondContact NE-OD2 3.21Å; R796-D867 IonicContact NH1-OD1 2.68Å; R796-D867 PolarHBondContact NH1-OD1 3.26Å; R796-D867 IonicContact NH1-OD2 2.62Å; R796-D867 IonicContact NH2-OD1 2.71Å; R796-D867 PolarHBondContact NH2-OD1 2.97Å; R796-D867 IonicContact NH2-OD2 3.19Å; R796-D867 PolarHBondContact NH2-OD2 3.25Å; R796-D867 VanDerWaalsContact NH2-OD2 3.09Å; R796-D869 IonicContact CZ-OD2 3.26Å; R796-D869 IonicContact NH1-OD2 3.72Å; R796-D869 PolarHBondContact NH1-OD2 3.43Å |
| 797 | S | 86.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 111 | I732 Y749 L793 T794 Y795 K800 K801 | I732-S797 WeakPolarHBondContact O-CB 3.43Å; I732-S797 PolarHBondContact O-OG 2.98Å; Y749-S797 VanDerWaalsContact OH-C 3.26Å; Y749-S797 PolarHBondContact OH-O 3.17Å; Y749-S797 PolarHBondContact OH-OG 3.06Å; L793-S797 WeakPolarHBondContact O-CB 3.49Å; L793-S797 PolarHBondContact O-N 3.16Å; T794-S797 WeakPolarHBondContact O-CB 3.41Å; T794-S797 PolarHBondContact O-N 2.88Å; Y795-S797 VanDerWaalsContact C-N 3.34Å; Y795-S797 PolarHBondContact O-N 3.47Å; S797-K800 WeakPolarHBondContact O-CB 3.47Å; S797-K800 PolarHBondContact O-N 3.47Å; S797-K801 PolarHBondContact O-N 3.41Å |
| 798 | C | 86.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 178 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | Y749 T794 Y795 R796 K800 K801 L802 L820 | Y749-C798 HydrophobicContact CD1-CB 4.13Å; Y749-C798 HydrophobicContact CD2-CB 3.76Å; Y749-C798 VanDerWaalsContact CD2-SG 3.55Å; Y749-C798 HydrophobicContact CE1-CB 4.11Å; Y749-C798 HydrophobicContact CE2-CB 3.71Å; Y749-C798 HydrophobicContact CG-CB 3.97Å; T794-C798 PolarHBondContact O-N 3.45Å; Y795-C798 WeakPolarHBondContact O-CB 3.33Å; Y795-C798 PolarHBondContact O-N 3.07Å; Y795-C798 VanDerWaalsContact O-N 3.14Å; R796-C798 VanDerWaalsContact C-N 3.34Å; C798-K800 VanDerWaalsContact C-N 3.28Å; C798-K800 PolarHBondContact O-N 2.84Å; C798-K801 PolarHBondContact O-N 3.09Å; C798-K801 VanDerWaalsContact O-N 3.17Å; C798-L802 WeakPolarHBondContact O-CB 3.39Å; C798-L802 WeakPolarHBondContact O-CG 2.96Å; C798-L802 PolarHBondContact O-N 2.83Å; C798-L820 HydrophobicContact CB-CD2 3.62Å |
| 799 | I | 84.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.1 | -47.9 | 173.7 | -60.7 | 161.5 | 0 | 0 | 0 | 110.8 | Y795 K801 L802 N803 D869 | Y795-I799 HydrophobicContact CD1-CD1 3.85Å; Y795-I799 HydrophobicContact CE1-CD1 3.19Å; Y795-I799 HydrophobicContact CE1-CG1 4.05Å; Y795-I799 HydrophobicContact CE2-CD1 4.33Å; Y795-I799 HydrophobicContact CE2-CG1 4.33Å; Y795-I799 VanDerWaalsContact CZ-CD1 3.42Å; Y795-I799 PolarHBondContact O-N 2.81Å; Y795-I799 WeakPolarHBondContact OH-CD1 3.45Å; I799-K801 PolarHBondContact O-N 2.98Å; I799-L802 PolarHBondContact O-N 3.23Å; I799-N803 WeakPolarHBondContact CG2-ND2 3.32Å; I799-N803 VanDerWaalsContact O-CB 3.24Å; I799-N803 WeakPolarHBondContact O-CB 3.42Å; I799-N803 PolarHBondContact O-N 3.45Å; I799-D869 HydrophobicContact CD1-CB 4.12Å |
| 800 | K | 83.1 | Confident | 80.1 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -43.4 | -179.5 | -176.1 | -171 | 178.1 | -172.4 | 0 | 112 | E733 R796 S797 C798 T804 | E733-K800 IonicContact OE1-NZ 2.66Å; E733-K800 PolarHBondContact OE1-NZ 3Å; R796-K800 WeakPolarHBondContact O-CB 3.46Å; R796-K800 PolarHBondContact O-N 2.9Å; S797-K800 WeakPolarHBondContact O-CB 3.47Å; S797-K800 PolarHBondContact O-N 3.47Å; C798-K800 VanDerWaalsContact C-N 3.28Å; C798-K800 PolarHBondContact O-N 2.84Å; K800-T804 PolarHBondContact O-N 2.86Å; K800-T804 VanDerWaalsContact O-N 3.12Å; K800-T804 PolarHBondContact O-OG1 3.09Å |
| 801 | K | 82.6 | Confident | 79.1 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.1 | -43.7 | 178.4 | -157.5 | -177.2 | 176.3 | -170.8 | 0 | 111.2 | L734 L745 Y749 S797 C798 I799 N803 T804 T805 | L734-K801 HydrophobicContact CD1-CD 4.49Å; L745-K801 HydrophobicContact CD1-CD 3.7Å; L745-K801 HydrophobicContact CD1-CG 3.92Å; L745-K801 HydrophobicContact CG-CD 4Å; Y749-K801 HydrophobicContact CE2-CB 4.36Å; Y749-K801 HydrophobicContact CE2-CD 3.79Å; Y749-K801 WeakPolarHBondContact OH-CD 3.3Å; S797-K801 PolarHBondContact O-N 3.41Å; C798-K801 PolarHBondContact O-N 3.09Å; C798-K801 VanDerWaalsContact O-N 3.17Å; I799-K801 PolarHBondContact O-N 2.98Å; K801-N803 PolarHBondContact O-N 2.87Å; K801-T804 WeakPolarHBondContact CA-OG1 3.31Å; K801-T804 PolarHBondContact O-N 3.06Å; K801-T804 PolarHBondContact O-OG1 3.06Å; K801-T805 PolarHBondContact O-N 2.95Å; K801-T805 PolarHBondContact O-OG1 2.9Å |
| 802 | L | 79.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.3 | -71.2 | 172.7 | 0 | 0 | 0 | 112.6 | L745 C798 I799 T804 T805 R813 C816 I817 | L745-L802 HydrophobicContact CD2-CD2 3.92Å; L745-L802 HydrophobicContact CD2-CG 4.38Å; C798-L802 WeakPolarHBondContact O-CB 3.39Å; C798-L802 WeakPolarHBondContact O-CG 2.96Å; C798-L802 PolarHBondContact O-N 2.83Å; I799-L802 PolarHBondContact O-N 3.23Å; L802-T804 VanDerWaalsContact C-N 3.34Å; L802-T805 PolarHBondContact O-N 3.12Å; L802-R813 HydrophobicContact CB-CG 4.14Å; L802-R813 HydrophobicContact CD1-CG 4.39Å; L802-R813 VanDerWaalsContact O-CZ 3.23Å; L802-R813 PolarHBondContact O-NE 3.23Å; L802-R813 PolarHBondContact O-NH2 3.47Å; L802-R813 VanDerWaalsContact O-NH2 3.13Å; L802-C816 HydrophobicContact CD1-CB 3.94Å; L802-C816 HydrophobicContact CD2-CB 4.33Å; L802-I817 HydrophobicContact CD1-CG1 3.93Å |
| 803 | N | 74 | Confident | 77.1 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -71.1 | -26.4 | 176.7 | -80.7 | -19.1 | 0 | 0 | 0 | 113.5 | I799 K801 R813 | I799-N803 WeakPolarHBondContact CG2-ND2 3.32Å; I799-N803 VanDerWaalsContact O-CB 3.24Å; I799-N803 WeakPolarHBondContact O-CB 3.42Å; I799-N803 PolarHBondContact O-N 3.45Å; K801-N803 PolarHBondContact O-N 2.87Å; N803-R813 WeakPolarHBondContact OD1-CD 3.48Å; N803-R813 PolarHBondContact OD1-NH1 2.79Å |
| 804 | T | 74.4 | Confident | 76.3 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 67% | 0.669 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -87.8 | -17.9 | 174.1 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | K800 K801 L802 S806 | K800-T804 PolarHBondContact O-N 2.86Å; K800-T804 VanDerWaalsContact O-N 3.12Å; K800-T804 PolarHBondContact O-OG1 3.09Å; K801-T804 WeakPolarHBondContact CA-OG1 3.31Å; K801-T804 PolarHBondContact O-N 3.06Å; K801-T804 PolarHBondContact O-OG1 3.06Å; L802-T804 VanDerWaalsContact C-N 3.34Å; T804-S806 PolarHBondContact O-N 3.46Å |
| 805 | T | 72.4 | Confident | 75.8 | Confident | 40 Ų | 40 | 56 Ų | 56 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | trans | -75.9 | 107.3 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 110.6 | K801 L802 Q807 C808 | K801-T805 PolarHBondContact O-N 2.95Å; K801-T805 PolarHBondContact O-OG1 2.9Å; L802-T805 PolarHBondContact O-N 3.12Å; T805-Q807 VanDerWaalsContact C-N 3.28Å; T805-Q807 PolarHBondContact O-N 3.2Å; T805-C808 HydrophobicContact CG2-CB 4.37Å | ||
| 806 | S | 59.1 | Low | 75.3 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 85% | 0.846 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.3 | -172.8 | 52.8 | 0 | 0 | 0 | 0 | 115.7 | T804 | T804-S806 PolarHBondContact O-N 3.46Š|
| 807 | Q | 56.1 | Low | 75.1 | Confident | 146 Ų | 146 | 55.7 Ų | 55.7 | 68% | 0.682 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -16.5 | -175.6 | -69.1 | 176 | -25.9 | 0 | 0 | 114.4 | T805 | T805-Q807 VanDerWaalsContact C-N 3.28Å; T805-Q807 PolarHBondContact O-N 3.2Å |
| 808 | C | 63.8 | Low | 74.9 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | trans | -80.7 | 125.5 | -175.3 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | T805 | T805-C808 HydrophobicContact CG2-CB 4.37Š| ||
| 809 | Q | 69.6 | Low | 74.9 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | trans | -66.3 | 160.5 | 174.1 | -56.5 | -159.7 | 2.1 | 0 | 0 | 111.6 | T811 E812 R813 S1280 | Q809-T811 PolarHBondContact O-N 3.24Å; Q809-E812 HydrophobicContact CB-CB 4.24Å; Q809-E812 HydrophobicContact CB-CG 3.97Å; Q809-E812 WeakPolarHBondContact CB-OE2 3.48Å; Q809-E812 HydrophobicContact CG-CG 4.46Å; Q809-E812 WeakPolarHBondContact CG-OE2 3.21Å; Q809-E812 PolarHBondContact N-OE2 2.72Å; Q809-E812 PolarHBondContact O-N 3.11Å; Q809-R813 WeakPolarHBondContact O-CB 3.29Å; Q809-R813 PolarHBondContact O-N 2.83Å; Q809-S1280 PolarHBondContact NE2-OG 3.37Å; Q809-S1280 VanDerWaalsContact NE2-OG 3.09Å | ||
| 810 | L | 70.6 | Confident | 75.1 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 179.8 | -177.4 | 60.7 | 0 | 0 | 0 | 111.8 | R813 E814 G886 | L810-R813 WeakPolarHBondContact O-CB 3.31Å; L810-R813 PolarHBondContact O-N 2.92Å; L810-E814 WeakPolarHBondContact O-CG 3.45Å; L810-E814 PolarHBondContact O-N 2.91Å; L810-G886 WeakPolarHBondContact CD2-O 3.4Å |
| 811 | T | 69.7 | Low | 75.4 | Confident | 68 Ų | 68 | 55 Ų | 55 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 177.7 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | Q809 R813 E814 H815 I889 | Q809-T811 PolarHBondContact O-N 3.24Å; T811-R813 VanDerWaalsContact C-N 3.3Å; T811-R813 PolarHBondContact O-N 3.37Å; T811-E814 WeakPolarHBondContact CA-OE2 3.39Å; T811-E814 PolarHBondContact O-N 2.72Å; T811-H815 WeakPolarHBondContact O-CB 3.27Å; T811-H815 PolarHBondContact O-N 3.36Å; T811-I889 HydrophobicContact CG2-CD1 4.45Å |
| 812 | E | 72.4 | Confident | 75.7 | Confident | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 171.6 | -68.1 | 166.8 | 176.7 | 0 | 0 | 110.7 | Q809 H815 C816 | Q809-E812 HydrophobicContact CB-CB 4.24Å; Q809-E812 HydrophobicContact CB-CG 3.97Å; Q809-E812 WeakPolarHBondContact CB-OE2 3.48Å; Q809-E812 HydrophobicContact CG-CG 4.46Å; Q809-E812 WeakPolarHBondContact CG-OE2 3.21Å; Q809-E812 PolarHBondContact N-OE2 2.72Å; Q809-E812 PolarHBondContact O-N 3.11Å; E812-H815 PolarHBondContact O-N 3.43Å; E812-C816 WeakPolarHBondContact O-CB 3.39Å; E812-C816 PolarHBondContact O-N 3.18Å; E812-C816 PolarHBondContact O-SG 2.91Å |
| 813 | R | 72.9 | Confident | 76.3 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 19% | 0.185 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 177 | -173.6 | 176.5 | -55.5 | 171.4 | 8.8 | 112.4 | L802 N803 Q809 L810 T811 H815 C816 I817 | L802-R813 HydrophobicContact CB-CG 4.14Å; L802-R813 HydrophobicContact CD1-CG 4.39Å; L802-R813 VanDerWaalsContact O-CZ 3.23Å; L802-R813 PolarHBondContact O-NE 3.23Å; L802-R813 PolarHBondContact O-NH2 3.47Å; L802-R813 VanDerWaalsContact O-NH2 3.13Å; N803-R813 WeakPolarHBondContact OD1-CD 3.48Å; N803-R813 PolarHBondContact OD1-NH1 2.79Å; Q809-R813 WeakPolarHBondContact O-CB 3.29Å; Q809-R813 PolarHBondContact O-N 2.83Å; L810-R813 WeakPolarHBondContact O-CB 3.31Å; L810-R813 PolarHBondContact O-N 2.92Å; T811-R813 VanDerWaalsContact C-N 3.3Å; T811-R813 PolarHBondContact O-N 3.37Å; R813-H815 VanDerWaalsContact C-N 3.33Å; R813-C816 PolarHBondContact O-N 2.62Å; R813-I817 HydrophobicContact CG-CD1 3.93Å; R813-I817 WeakPolarHBondContact O-CB 3.45Å; R813-I817 WeakPolarHBondContact O-CG1 3.29Å; R813-I817 PolarHBondContact O-N 3.42Å |
| 814 | E | 73.7 | Confident | 77.2 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56 | -48.7 | 172.4 | -73 | 172.6 | 129.6 | 0 | 0 | 110.2 | L810 T811 C816 I817 S818 I889 Q890 | L810-E814 WeakPolarHBondContact O-CG 3.45Å; L810-E814 PolarHBondContact O-N 2.91Å; T811-E814 WeakPolarHBondContact CA-OE2 3.39Å; T811-E814 PolarHBondContact O-N 2.72Å; E814-C816 PolarHBondContact O-N 3.36Å; E814-I817 PolarHBondContact O-N 2.88Å; E814-S818 WeakPolarHBondContact O-CB 3.4Å; E814-S818 PolarHBondContact O-N 2.79Å; E814-S818 PolarHBondContact O-OG 3.32Å; E814-I889 HydrophobicContact CB-CG2 4.32Å; E814-I889 WeakPolarHBondContact OE1-CB 3.32Å; E814-Q890 HydrophobicContact CG-CB 4.15Å; E814-Q890 HydrophobicContact CG-CG 4.44Å; E814-Q890 WeakPolarHBondContact OE1-CA 3.49Å; E814-Q890 WeakPolarHBondContact OE1-CB 3.33Å; E814-Q890 PolarHBondContact OE1-N 2.99Å |
| 815 | H | 80.6 | Confident | 78 | Confident | 114 Ų | 114 | 47.6 Ų | 47.6 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.9 | -169.6 | 64.7 | 0 | 0 | 0 | 112.7 | T811 E812 R813 S818 H819 | T811-H815 WeakPolarHBondContact O-CB 3.27Å; T811-H815 PolarHBondContact O-N 3.36Å; E812-H815 PolarHBondContact O-N 3.43Å; R813-H815 VanDerWaalsContact C-N 3.33Å; H815-S818 PolarHBondContact O-N 3.29Å; H815-H819 VanDerWaalsContact O-CB 3.25Å; H815-H819 WeakPolarHBondContact O-CB 3.47Å; H815-H819 PolarHBondContact O-N 3.04Å |
| 816 | C | 81.6 | Confident | 78.9 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 175.8 | -72.1 | 0 | 0 | 0 | 0 | 112.3 | M746 L802 E812 R813 E814 S818 H819 L820 | M746-C816 HydrophobicContact CE-CB 4.07Å; M746-C816 WeakPolarHBondContact CE-O 3.33Å; M746-C816 HydrophobicContact CG-CB 4.4Å; M746-C816 HydrophobicContact SD-CB 3.65Å; L802-C816 HydrophobicContact CD1-CB 3.94Å; L802-C816 HydrophobicContact CD2-CB 4.33Å; E812-C816 WeakPolarHBondContact O-CB 3.39Å; E812-C816 PolarHBondContact O-N 3.18Å; E812-C816 PolarHBondContact O-SG 2.91Å; R813-C816 PolarHBondContact O-N 2.62Å; E814-C816 PolarHBondContact O-N 3.36Å; C816-S818 VanDerWaalsContact C-N 3.31Å; C816-S818 PolarHBondContact O-N 3.45Å; C816-H819 PolarHBondContact O-N 3.14Å; C816-L820 PolarHBondContact O-N 3.19Å |
| 817 | I | 83.6 | Confident | 80.4 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 177.2 | -76.2 | 168.5 | 0 | 0 | 0 | 110.3 | Y795 L802 R813 E814 L820 T821 L870 | Y795-I817 HydrophobicContact CE2-CG2 4.11Å; Y795-I817 WeakPolarHBondContact OH-CG2 3.44Å; L802-I817 HydrophobicContact CD1-CG1 3.93Å; R813-I817 HydrophobicContact CG-CD1 3.93Å; R813-I817 WeakPolarHBondContact O-CB 3.45Å; R813-I817 WeakPolarHBondContact O-CG1 3.29Å; R813-I817 PolarHBondContact O-N 3.42Å; E814-I817 PolarHBondContact O-N 2.88Å; I817-L820 PolarHBondContact O-N 2.93Å; I817-T821 WeakPolarHBondContact O-CB 3.29Å; I817-T821 PolarHBondContact O-N 3.14Å; I817-T821 PolarHBondContact O-OG1 3.42Å; I817-L870 HydrophobicContact CG2-CD2 4.08Å |
| 818 | S | 83.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.2 | -36.7 | -179.4 | -54.8 | 0 | 0 | 0 | 0 | 113.2 | E814 H815 C816 T821 N822 I893 C894 | E814-S818 WeakPolarHBondContact O-CB 3.4Å; E814-S818 PolarHBondContact O-N 2.79Å; E814-S818 PolarHBondContact O-OG 3.32Å; H815-S818 PolarHBondContact O-N 3.29Å; C816-S818 VanDerWaalsContact C-N 3.31Å; C816-S818 PolarHBondContact O-N 3.45Å; S818-T821 PolarHBondContact O-N 2.86Å; S818-N822 VanDerWaalsContact O-CB 3.25Å; S818-N822 WeakPolarHBondContact O-CB 3.21Å; S818-N822 VanDerWaalsContact O-CG 3.22Å; S818-N822 PolarHBondContact O-N 3.24Å; S818-N822 PolarHBondContact O-ND2 3Å; S818-I893 WeakPolarHBondContact OG-CB 3.5Å; S818-C894 VanDerWaalsContact CA-SG 3.6Å; S818-C894 PolarHBondContact OG-N 3.3Å; S818-C894 PolarHBondContact OG-SG 2.87Å |
| 819 | H | 85.7 | Confident | 83.4 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 173 | -177.1 | 76.3 | 0 | 0 | 0 | 110.9 | H815 C816 Y823 | H815-H819 VanDerWaalsContact O-CB 3.25Å; H815-H819 WeakPolarHBondContact O-CB 3.47Å; H815-H819 PolarHBondContact O-N 3.04Å; C816-H819 PolarHBondContact O-N 3.14Å; H819-Y823 VanDerWaalsContact O-CB 3.22Å; H819-Y823 WeakPolarHBondContact O-CB 3.34Å; H819-Y823 PolarHBondContact O-N 2.86Å |
| 820 | L | 87.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 175 | -163 | 72.6 | 0 | 0 | 0 | 111.8 | M746 I750 I753 Y795 C798 C816 I817 N822 Y823 M824 | M746-L820 HydrophobicContact CE-CB 4.06Å; M746-L820 HydrophobicContact CE-CD1 4.27Å; I750-L820 HydrophobicContact CG1-CD1 4.45Å; I753-L820 HydrophobicContact CD1-CD1 3.46Å; I753-L820 VanDerWaalsContact CD1-CD1 3.46Å; I753-L820 HydrophobicContact CD1-CG 4.01Å; Y795-L820 HydrophobicContact CD2-CD2 4.21Å; C798-L820 HydrophobicContact CB-CD2 3.62Å; C816-L820 PolarHBondContact O-N 3.19Å; I817-L820 PolarHBondContact O-N 2.93Å; L820-N822 PolarHBondContact O-N 2.84Å; L820-Y823 WeakPolarHBondContact O-CB 3.48Å; L820-Y823 PolarHBondContact O-N 2.92Å; L820-M824 HydrophobicContact CD2-SD 4.43Å; L820-M824 HydrophobicContact CG-SD 4.07Å; L820-M824 WeakPolarHBondContact O-CG 3.4Å; L820-M824 PolarHBondContact O-N 3.49Å |
| 821 | T | 89.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | -176.6 | -45.8 | 0 | 0 | 0 | 0 | 111.2 | Y795 I817 S818 A825 F864 A897 | Y795-T821 WeakPolarHBondContact CE2-OG1 3.41Å; I817-T821 WeakPolarHBondContact O-CB 3.29Å; I817-T821 PolarHBondContact O-N 3.14Å; I817-T821 PolarHBondContact O-OG1 3.42Å; S818-T821 PolarHBondContact O-N 2.86Å; T821-A825 PolarHBondContact O-N 3.07Å; T821-A825 VanDerWaalsContact O-N 3.09Å; T821-F864 HydrophobicContact CG2-CD2 3.94Å; T821-F864 HydrophobicContact CG2-CE2 3.69Å; T821-F864 HydrophobicContact CG2-CZ 4.08Å; T821-A897 HydrophobicContact CG2-CB 3.67Å; T821-A897 WeakPolarHBondContact O-CB 3.1Å |
| 822 | N | 89.6 | Confident | 85.6 | Confident | 37 Ų | 37 | 40.1 Ų | 40.1 | 20% | 0.198 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 174.1 | -70.5 | -39.1 | 0 | 0 | 0 | 111.5 | S818 L820 A825 N826 I893 A897 | S818-N822 VanDerWaalsContact O-CB 3.25Å; S818-N822 WeakPolarHBondContact O-CB 3.21Å; S818-N822 VanDerWaalsContact O-CG 3.22Å; S818-N822 PolarHBondContact O-N 3.24Å; S818-N822 PolarHBondContact O-ND2 3Å; L820-N822 PolarHBondContact O-N 2.84Å; N822-A825 PolarHBondContact O-N 3.28Å; N822-N826 WeakPolarHBondContact O-CB 3.13Å; N822-N826 PolarHBondContact O-N 3.49Å; N822-N826 PolarHBondContact O-ND2 3.24Å; N822-I893 PolarHBondContact ND2-O 3.5Å; N822-I893 VanDerWaalsContact ND2-O 3.13Å; N822-A897 WeakPolarHBondContact OD1-CA 3.43Å; N822-A897 VanDerWaalsContact OD1-CB 3.28Å; N822-A897 WeakPolarHBondContact OD1-CB 3.3Å; N822-A897 PolarHBondContact OD1-N 3.42Å |
| 823 | Y | 91.5 | Very high | 85.6 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.2 | -174.5 | -93.1 | 0 | 0 | 0 | 111.8 | I750 I753 D754 H819 L820 A825 N826 R827 | I750-Y823 HydrophobicContact CB-CE1 4.38Å; I750-Y823 HydrophobicContact CG1-CD1 4.28Å; I750-Y823 HydrophobicContact CG1-CE1 4.45Å; I750-Y823 HydrophobicContact CG1-CG 4.39Å; I750-Y823 HydrophobicContact CG2-CD1 4.49Å; I750-Y823 HydrophobicContact CG2-CE1 3.86Å; I750-Y823 HydrophobicContact CG2-CE2 4.05Å; I753-Y823 HydrophobicContact CB-CE1 4.34Å; I753-Y823 HydrophobicContact CD1-CD1 4.2Å; I753-Y823 HydrophobicContact CG2-CD1 4.18Å; I753-Y823 HydrophobicContact CG2-CE1 4.06Å; D754-Y823 WeakPolarHBondContact OD1-CE1 3.33Å; D754-Y823 PolarHBondContact OD1-OH 3.32Å; D754-Y823 PolarHBondContact OD2-OH 2.98Å; H819-Y823 VanDerWaalsContact O-CB 3.22Å; H819-Y823 WeakPolarHBondContact O-CB 3.34Å; H819-Y823 PolarHBondContact O-N 2.86Å; L820-Y823 WeakPolarHBondContact O-CB 3.48Å; L820-Y823 PolarHBondContact O-N 2.92Å; Y823-A825 VanDerWaalsContact C-N 3.35Å; Y823-A825 PolarHBondContact O-N 3.05Å; Y823-N826 PolarHBondContact O-N 3.23Å; Y823-R827 HydrophobicContact CD1-CG 3.95Å; Y823-R827 HydrophobicContact CE1-CG 3.51Å; Y823-R827 HydrophobicContact CE2-CG 4.23Å; Y823-R827 HydrophobicContact CG-CG 4.48Å; Y823-R827 WeakPolarHBondContact O-CB 3.47Å; Y823-R827 WeakPolarHBondContact O-CG 3.22Å; Y823-R827 PolarHBondContact O-N 3.29Å; Y823-R827 PolarHBondContact OH-NE 3.49Å; Y823-R827 PolarHBondContact OH-NH2 3.29Å |
| 824 | M | 92.7 | Very high | 85 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 175.6 | -67.6 | 165.9 | 79 | 0 | 0 | 111.6 | I753 L791 L820 I828 F864 | I753-M824 HydrophobicContact CD1-CG 3.38Å; I753-M824 HydrophobicContact CD1-SD 4.03Å; I753-M824 HydrophobicContact CG1-CG 3.98Å; I753-M824 HydrophobicContact CG2-CG 4.28Å; L791-M824 HydrophobicContact CB-CE 3.58Å; L791-M824 HydrophobicContact CD2-CE 4.11Å; L791-M824 HydrophobicContact CG-CE 4.27Å; L791-M824 VanDerWaalsContact O-CE 3.27Å; L791-M824 WeakPolarHBondContact O-CE 3.01Å; L820-M824 HydrophobicContact CD2-SD 4.43Å; L820-M824 HydrophobicContact CG-SD 4.07Å; L820-M824 WeakPolarHBondContact O-CG 3.4Å; L820-M824 PolarHBondContact O-N 3.49Å; M824-I828 WeakPolarHBondContact O-CB 3.49Å; M824-I828 WeakPolarHBondContact O-CD1 3.5Å; M824-I828 VanDerWaalsContact O-CG1 3.22Å; M824-I828 WeakPolarHBondContact O-CG1 3.41Å; M824-I828 PolarHBondContact O-N 3.31Å; M824-F864 HydrophobicContact CE-CZ 3.78Å; M824-F864 HydrophobicContact SD-CZ 4.11Å |
| 825 | A | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T821 N822 Y823 I828 Y829 A897 L900 L901 | T821-A825 PolarHBondContact O-N 3.07Å; T821-A825 VanDerWaalsContact O-N 3.09Å; N822-A825 PolarHBondContact O-N 3.28Å; Y823-A825 VanDerWaalsContact C-N 3.35Å; Y823-A825 PolarHBondContact O-N 3.05Å; A825-I828 PolarHBondContact O-N 3Å; A825-Y829 PolarHBondContact O-N 2.98Å; A825-A897 HydrophobicContact CB-CB 3.85Å; A825-L900 HydrophobicContact CB-CB 4.2Å; A825-L900 HydrophobicContact CB-CD2 4.14Å; A825-L900 HydrophobicContact CB-CG 4.38Å; A825-L901 HydrophobicContact CB-CD2 4.4Å; A825-L901 HydrophobicContact CB-CG 3.97Å |
| 826 | N | 92 | Very high | 82.6 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 175.4 | -78 | -48.5 | 0 | 0 | 0 | 111.3 | N822 Y823 I828 Y829 E830 L900 | N822-N826 WeakPolarHBondContact O-CB 3.13Å; N822-N826 PolarHBondContact O-N 3.49Å; N822-N826 PolarHBondContact O-ND2 3.24Å; Y823-N826 PolarHBondContact O-N 3.23Å; N826-I828 VanDerWaalsContact C-N 3.33Å; N826-I828 PolarHBondContact O-N 2.93Å; N826-Y829 PolarHBondContact O-N 2.84Å; N826-Y829 VanDerWaalsContact O-N 3.15Å; N826-E830 WeakPolarHBondContact O-CG 3.44Å; N826-E830 PolarHBondContact O-N 3.13Å; N826-L900 HydrophobicContact CB-CD2 4.38Å; N826-L900 WeakPolarHBondContact OD1-CD2 3.34Å |
| 827 | R | 90.5 | Very high | 80.7 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 29% | 0.291 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 179.7 | -75.1 | -53.3 | -144.2 | -159.5 | -0 | 113.1 | D754 L757 Y823 E830 S831 | D754-R827 IonicContact OD1-CZ 3.3Å; D754-R827 IonicContact OD1-NE 3.51Å; D754-R827 PolarHBondContact OD1-NE 3.49Å; D754-R827 IonicContact OD1-NH2 3.77Å; D754-R827 IonicContact OD2-CZ 3.23Å; D754-R827 IonicContact OD2-NE 2.72Å; D754-R827 IonicContact OD2-NH2 3.54Å; D754-R827 PolarHBondContact OD2-NH2 2.88Å; L757-R827 HydrophobicContact CD1-CB 3.55Å; L757-R827 HydrophobicContact CD1-CG 4.32Å; Y823-R827 HydrophobicContact CD1-CG 3.95Å; Y823-R827 HydrophobicContact CE1-CG 3.51Å; Y823-R827 HydrophobicContact CE2-CG 4.23Å; Y823-R827 HydrophobicContact CG-CG 4.48Å; Y823-R827 WeakPolarHBondContact O-CB 3.47Å; Y823-R827 WeakPolarHBondContact O-CG 3.22Å; Y823-R827 PolarHBondContact O-N 3.29Å; Y823-R827 PolarHBondContact OH-NE 3.49Å; Y823-R827 PolarHBondContact OH-NH2 3.29Å; R827-E830 WeakPolarHBondContact CD-OE2 3.37Å; R827-E830 IonicContact CZ-OE2 3.82Å; R827-E830 IonicContact NE-OE2 3.3Å; R827-E830 IonicContact NH1-OE2 2.97Å; R827-E830 PolarHBondContact NH1-OE2 2.81Å; R827-E830 PolarHBondContact O-N 2.85Å; R827-S831 VanDerWaalsContact O-CB 3.31Å; R827-S831 WeakPolarHBondContact O-CB 3.44Å; R827-S831 PolarHBondContact O-N 2.97Å; R827-S831 PolarHBondContact O-OG 3.44Å; R827-S831 VanDerWaalsContact O-OG 3.07Å |
| 828 | I | 91.2 | Very high | 78.5 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -51 | 172.5 | -75.9 | 165.5 | 0 | 0 | 0 | 110.2 | L791 M824 A825 N826 E830 S831 V832 W853 S857 L860 L901 T904 | L791-I828 HydrophobicContact CD1-CD1 3.72Å; L791-I828 HydrophobicContact CD1-CG1 4.17Å; M824-I828 WeakPolarHBondContact O-CB 3.49Å; M824-I828 WeakPolarHBondContact O-CD1 3.5Å; M824-I828 VanDerWaalsContact O-CG1 3.22Å; M824-I828 WeakPolarHBondContact O-CG1 3.41Å; M824-I828 PolarHBondContact O-N 3.31Å; A825-I828 PolarHBondContact O-N 3Å; N826-I828 VanDerWaalsContact C-N 3.33Å; N826-I828 PolarHBondContact O-N 2.93Å; I828-E830 PolarHBondContact O-N 3.28Å; I828-S831 WeakPolarHBondContact CA-OG 3.43Å; I828-S831 PolarHBondContact O-N 3.34Å; I828-S831 VanDerWaalsContact O-N 3.08Å; I828-S831 PolarHBondContact O-OG 3.19Å; I828-V832 PolarHBondContact O-N 3.34Å; I828-V832 VanDerWaalsContact O-N 3.09Å; I828-W853 HydrophobicContact CG1-CZ3 4.38Å; I828-W853 HydrophobicContact CG2-CE3 4.29Å; I828-W853 HydrophobicContact CG2-CZ3 4.1Å; I828-S857 WeakPolarHBondContact CG2-OG 3.49Å; I828-L860 HydrophobicContact CD1-CD2 3.43Å; I828-L860 VanDerWaalsContact CD1-CD2 3.43Å; I828-L901 HydrophobicContact CB-CD2 4.48Å; I828-L901 HydrophobicContact CD1-CD2 3.76Å; I828-L901 HydrophobicContact CG2-CD2 4.19Å; I828-T904 HydrophobicContact CG2-CG2 3.79Å |
| 829 | Y | 90.8 | Very high | 76.5 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 179.6 | -168.5 | -83.5 | 0 | 0 | 0 | 112.4 | A825 N826 S831 V832 L900 E903 | A825-Y829 PolarHBondContact O-N 2.98Å; N826-Y829 PolarHBondContact O-N 2.84Å; N826-Y829 VanDerWaalsContact O-N 3.15Å; Y829-S831 VanDerWaalsContact C-N 3.29Å; Y829-S831 PolarHBondContact O-N 3.22Å; Y829-V832 PolarHBondContact O-N 2.87Å; Y829-L900 HydrophobicContact CD2-CD1 3.44Å; Y829-L900 VanDerWaalsContact CD2-CD1 3.44Å; Y829-L900 HydrophobicContact CD2-CG 4.23Å; Y829-L900 HydrophobicContact CE2-CD1 3.81Å; Y829-L900 HydrophobicContact CG-CD1 3.85Å; Y829-L900 HydrophobicContact CG-CG 4.46Å; Y829-E903 HydrophobicContact CE2-CB 4.46Å; Y829-E903 HydrophobicContact CE2-CG 4.08Å; Y829-E903 VanDerWaalsContact CE2-OE1 3.24Å; Y829-E903 WeakPolarHBondContact CE2-OE1 3.47Å; Y829-E903 VanDerWaalsContact CZ-OE1 3.3Å; Y829-E903 PolarHBondContact OH-OE1 3.45Å |
| 830 | E | 87 | Confident | 74.4 | Confident | 122 Ų | 122 | 63 Ų | 63 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.5 | -36.2 | 172.8 | -73 | -178.6 | 160.2 | 0 | 0 | 112.7 | N826 R827 I828 | N826-E830 WeakPolarHBondContact O-CG 3.44Å; N826-E830 PolarHBondContact O-N 3.13Å; R827-E830 WeakPolarHBondContact CD-OE2 3.37Å; R827-E830 IonicContact CZ-OE2 3.82Å; R827-E830 IonicContact NE-OE2 3.3Å; R827-E830 IonicContact NH1-OE2 2.97Å; R827-E830 PolarHBondContact NH1-OE2 2.81Å; R827-E830 PolarHBondContact O-N 2.85Å; I828-E830 PolarHBondContact O-N 3.28Å |
| 831 | S | 84.7 | Confident | 72.8 | Confident | 37 Ų | 37 | 65 Ų | 65 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -82.9 | -12 | -178.4 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | R827 I828 Y829 P833 W853 | R827-S831 VanDerWaalsContact O-CB 3.31Å; R827-S831 WeakPolarHBondContact O-CB 3.44Å; R827-S831 PolarHBondContact O-N 2.97Å; R827-S831 PolarHBondContact O-OG 3.44Å; R827-S831 VanDerWaalsContact O-OG 3.07Å; I828-S831 WeakPolarHBondContact CA-OG 3.43Å; I828-S831 PolarHBondContact O-N 3.34Å; I828-S831 VanDerWaalsContact O-N 3.08Å; I828-S831 PolarHBondContact O-OG 3.19Å; Y829-S831 VanDerWaalsContact C-N 3.29Å; Y829-S831 PolarHBondContact O-N 3.22Å; S831-P833 WeakPolarHBondContact O-CD 3.43Å; S831-W853 WeakPolarHBondContact OG-CH2 3.34Å; S831-W853 VanDerWaalsContact OG-CZ2 3.31Å; S831-W853 WeakPolarHBondContact OG-CZ2 3.42Å |
| 832 | V | 84.2 | Confident | 71.3 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -69 | 125.9 | 166.8 | 176 | 0 | 0 | 0 | 0 | 108.8 | I828 Y829 N834 W853 T904 | I828-V832 PolarHBondContact O-N 3.34Å; I828-V832 VanDerWaalsContact O-N 3.09Å; Y829-V832 PolarHBondContact O-N 2.87Å; V832-N834 PolarHBondContact O-N 3.46Å; V832-N834 VanDerWaalsContact O-N 3.1Å; V832-N834 PolarHBondContact O-ND2 3.47Å; V832-W853 HydrophobicContact CG2-CB 4.14Å; V832-W853 HydrophobicContact CG2-CD2 4.04Å; V832-W853 HydrophobicContact CG2-CE3 4.31Å; V832-W853 HydrophobicContact CG2-CG 3.93Å; V832-T904 HydrophobicContact CG2-CG2 3.67Å |
| 833 | P | 71.8 | Confident | 70.2 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | trans | -63.3 | 117.3 | -176.7 | -23.8 | 34.1 | 0 | 0 | 0 | 112.5 | S831 F835 | S831-P833 WeakPolarHBondContact O-CD 3.43Å; P833-F835 HydrophobicContact CB-CD1 4.35Å; P833-F835 HydrophobicContact CB-CD2 4.4Å; P833-F835 HydrophobicContact CB-CE1 3.73Å; P833-F835 HydrophobicContact CB-CE2 3.81Å; P833-F835 HydrophobicContact CB-CZ 3.45Å; P833-F835 VanDerWaalsContact CB-CZ 3.45Å; P833-F835 HydrophobicContact CG-CE2 4.42Å; P833-F835 HydrophobicContact CG-CZ 4.05Å; P833-F835 VanDerWaalsContact O-CD2 3.28Å; P833-F835 WeakPolarHBondContact O-CD2 3.44Å; P833-F835 PolarHBondContact O-N 3.07Å | ||
| 834 | N | 60.6 | Low | 69.3 | Low | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | trans | -74.6 | 89.1 | 178.2 | -90 | -101.2 | 0 | 0 | 0 | 110.9 | V832 N836 | V832-N834 PolarHBondContact O-N 3.46Å; V832-N834 VanDerWaalsContact O-N 3.1Å; V832-N834 PolarHBondContact O-ND2 3.47Å; N834-N836 VanDerWaalsContact C-N 3.33Å; N834-N836 PolarHBondContact O-N 3.23Å | ||
| 835 | F | 59 | Low | 68.6 | Low | 38 Ų | 38 | 70.1 Ų | 70.1 | 17% | 0.167 | 36% | 0.358 | C | S | . | . | trans | -77.1 | 72.3 | -174 | -66.6 | -57.6 | 0 | 0 | 0 | 114.4 | P833 L846 L850 Y911 I915 | P833-F835 HydrophobicContact CB-CD1 4.35Å; P833-F835 HydrophobicContact CB-CD2 4.4Å; P833-F835 HydrophobicContact CB-CE1 3.73Å; P833-F835 HydrophobicContact CB-CE2 3.81Å; P833-F835 HydrophobicContact CB-CZ 3.45Å; P833-F835 VanDerWaalsContact CB-CZ 3.45Å; P833-F835 HydrophobicContact CG-CE2 4.42Å; P833-F835 HydrophobicContact CG-CZ 4.05Å; P833-F835 VanDerWaalsContact O-CD2 3.28Å; P833-F835 WeakPolarHBondContact O-CD2 3.44Å; P833-F835 PolarHBondContact O-N 3.07Å; F835-L846 HydrophobicContact CD1-CD1 3.78Å; F835-L846 HydrophobicContact CD1-CD2 4.42Å; F835-L846 HydrophobicContact CE1-CB 4.3Å; F835-L846 HydrophobicContact CE1-CD1 3.65Å; F835-L846 HydrophobicContact CE1-CD2 3.51Å; F835-L846 HydrophobicContact CE1-CG 3.99Å; F835-L846 HydrophobicContact CE2-CB 4.21Å; F835-L846 HydrophobicContact CE2-CD1 4.48Å; F835-L846 HydrophobicContact CG-CD1 4.28Å; F835-L846 HydrophobicContact CZ-CB 3.82Å; F835-L846 HydrophobicContact CZ-CD1 4Å; F835-L846 HydrophobicContact CZ-CD2 3.74Å; F835-L846 HydrophobicContact CZ-CG 4.04Å; F835-L850 HydrophobicContact CD2-CD1 4.28Å; F835-L850 HydrophobicContact CE2-CD1 3.85Å; F835-L850 HydrophobicContact CE2-CD2 4.07Å; F835-L850 HydrophobicContact CE2-CG 3.92Å; F835-Y911 HydrophobicContact CB-CD1 3.89Å; F835-Y911 HydrophobicContact CB-CE1 3.84Å; F835-Y911 HydrophobicContact CD2-CD1 4.3Å; F835-I915 HydrophobicContact CD2-CD1 4.29Å; F835-I915 HydrophobicContact CE2-CD1 4.49Å | ||
| 836 | N | 45.5 | Very low | 68.2 | Low | 106 Ų | 106 | 71.3 Ų | 71.3 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | trans | -75.1 | 146.8 | 163.5 | -154.5 | -16.8 | 0 | 0 | 0 | 110.7 | L498 N834 N838 | L498-N836 WeakPolarHBondContact CD1-ND2 3.44Å; N834-N836 VanDerWaalsContact C-N 3.33Å; N834-N836 PolarHBondContact O-N 3.23Å; N836-N838 PolarHBondContact O-N 3.35Å | ||
| 837 | R | 42.1 | Very low | 68 | Low | 227 Ų | 227 | 67.3 Ų | 67.3 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 10.4 | -155.5 | -93 | -177.1 | 173 | 174.3 | -1.2 | 118.4 | ||
| 838 | N | 37.3 | Very low | 67.9 | Low | 111 Ų | 111 | 65 Ų | 65 | 59% | 0.594 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 7.7 | -167.8 | -70.3 | 6.2 | 0 | 0 | 0 | 115.4 | N836 | N836-N838 PolarHBondContact O-N 3.35Š|
| 839 | S | 41.2 | Very low | 67.8 | Low | 63 Ų | 63 | 65.2 Ų | 65.2 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | trans | -91.9 | 115.9 | 175.8 | 41.2 | 0 | 0 | 0 | 0 | 111.4 | S841 | S839-S841 PolarHBondContact O-N 3.1Š| ||
| 840 | N | 41 | Very low | 67.8 | Low | 176 Ų | 176 | 62.2 Ų | 62.2 | 94% | 0.941 | 33% | 0.325 | S | S | * | . | trans | -72.3 | 25.5 | 170.7 | -77.8 | -17.7 | 0 | 0 | 0 | 113 | ||||
| 841 | S | 53.8 | Low | 68.1 | Low | 45 Ų | 45 | 56.4 Ų | 56.4 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -78.5 | 133.7 | 173.7 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | S839 P843 | S839-S841 PolarHBondContact O-N 3.1Å; S841-P843 VanDerWaalsContact O-N 3.17Å |
| 842 | N | 59.5 | Low | 68.5 | Low | 64 Ų | 64 | 55.2 Ų | 55.2 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | trans | -49.8 | 122.5 | 174.1 | -73.9 | -9.3 | 0 | 0 | 0 | 110.4 | S844 L845 | N842-S844 PolarHBondContact O-N 3.22Å; N842-L845 HydrophobicContact CB-CD1 4.13Å; N842-L845 HydrophobicContact CB-CG 4.16Å; N842-L845 WeakPolarHBondContact O-CB 3.41Å; N842-L845 PolarHBondContact O-N 3.39Å | ||
| 843 | P | 66.6 | Low | 68.9 | Low | 32 Ų | 32 | 55.1 Ų | 55.1 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -21.9 | -172.7 | 23.4 | -33.7 | 0 | 0 | 0 | 113 | S841 L845 L846 I915 I919 W952 | S841-P843 VanDerWaalsContact O-N 3.17Å; P843-L845 VanDerWaalsContact C-N 3.27Å; P843-L845 PolarHBondContact O-N 3.23Å; P843-L846 WeakPolarHBondContact O-CB 3.32Å; P843-L846 PolarHBondContact O-N 2.9Å; P843-L846 VanDerWaalsContact O-N 3.16Å; P843-I915 HydrophobicContact CB-CG2 4.26Å; P843-I915 WeakPolarHBondContact O-CG2 3.47Å; P843-I919 HydrophobicContact CB-CD1 4.21Å; P843-I919 HydrophobicContact CB-CG1 4.1Å; P843-I919 HydrophobicContact CG-CD1 4.38Å; P843-I919 HydrophobicContact CG-CG1 3.87Å; P843-W952 HydrophobicContact CG-CH2 3.94Å; P843-W952 HydrophobicContact CG-CZ2 3.77Å |
| 844 | S | 71.7 | Confident | 70 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -27.6 | 172.7 | 47.3 | 0 | 0 | 0 | 0 | 114.3 | N842 L846 P948 Y970 | N842-S844 PolarHBondContact O-N 3.22Å; S844-L846 VanDerWaalsContact C-N 3.27Å; S844-L846 PolarHBondContact O-N 3.29Å; S844-P948 WeakPolarHBondContact OG-CB 3.47Å; S844-Y970 PolarHBondContact O-OH 2.98Å |
| 845 | L | 77.7 | Confident | 71.6 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.4 | -27 | 175.4 | -63.5 | 173.1 | 0 | 0 | 0 | 112 | N842 P843 P849 | N842-L845 HydrophobicContact CB-CD1 4.13Å; N842-L845 HydrophobicContact CB-CG 4.16Å; N842-L845 WeakPolarHBondContact O-CB 3.41Å; N842-L845 PolarHBondContact O-N 3.39Å; P843-L845 VanDerWaalsContact C-N 3.27Å; P843-L845 PolarHBondContact O-N 3.23Å; L845-P849 WeakPolarHBondContact O-CD 3.44Å |
| 846 | L | 83.4 | Confident | 73.2 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -80.2 | -19.6 | -174.4 | -48.6 | -173.6 | 0 | 0 | 0 | 112.8 | F835 P843 S844 K848 P849 L850 I915 | F835-L846 HydrophobicContact CD1-CD1 3.78Å; F835-L846 HydrophobicContact CD1-CD2 4.42Å; F835-L846 HydrophobicContact CE1-CB 4.3Å; F835-L846 HydrophobicContact CE1-CD1 3.65Å; F835-L846 HydrophobicContact CE1-CD2 3.51Å; F835-L846 HydrophobicContact CE1-CG 3.99Å; F835-L846 HydrophobicContact CE2-CB 4.21Å; F835-L846 HydrophobicContact CE2-CD1 4.48Å; F835-L846 HydrophobicContact CG-CD1 4.28Å; F835-L846 HydrophobicContact CZ-CB 3.82Å; F835-L846 HydrophobicContact CZ-CD1 4Å; F835-L846 HydrophobicContact CZ-CD2 3.74Å; F835-L846 HydrophobicContact CZ-CG 4.04Å; P843-L846 WeakPolarHBondContact O-CB 3.32Å; P843-L846 PolarHBondContact O-N 2.9Å; P843-L846 VanDerWaalsContact O-N 3.16Å; S844-L846 VanDerWaalsContact C-N 3.27Å; S844-L846 PolarHBondContact O-N 3.29Å; L846-K848 PolarHBondContact O-N 2.83Å; L846-P849 WeakPolarHBondContact O-CD 2.98Å; L846-L850 WeakPolarHBondContact O-CG 3.27Å; L846-L850 PolarHBondContact O-N 3.11Å; L846-I915 HydrophobicContact CB-CD1 3.78Å; L846-I915 HydrophobicContact CD1-CD1 3.97Å |
| 847 | I | 88.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | 177.6 | -66.9 | 172.4 | 0 | 0 | 0 | 110.9 | L850 T851 L912 I915 M916 I919 Y970 L971 Q974 | I847-L850 PolarHBondContact O-N 2.84Å; I847-T851 HydrophobicContact CG2-CG2 4.25Å; I847-T851 WeakPolarHBondContact O-CG2 3.22Å; I847-T851 PolarHBondContact O-N 3.45Å; I847-T851 PolarHBondContact O-OG1 3.47Å; I847-L912 HydrophobicContact CB-CD1 4.42Å; I847-L912 HydrophobicContact CG1-CD1 4.34Å; I847-L912 HydrophobicContact CG2-CD1 4.09Å; I847-I915 HydrophobicContact CG1-CG2 3.91Å; I847-M916 HydrophobicContact CD1-SD 3.58Å; I847-M916 VanDerWaalsContact CD1-SD 3.58Å; I847-M916 HydrophobicContact CG1-SD 4.3Å; I847-I919 HydrophobicContact CD1-CD1 3.74Å; I847-I919 HydrophobicContact CG1-CD1 4.45Å; I847-Y970 HydrophobicContact CB-CE1 4.15Å; I847-Y970 HydrophobicContact CD1-CD1 4.06Å; I847-Y970 HydrophobicContact CD1-CE1 3.8Å; I847-Y970 HydrophobicContact CG2-CE1 4.04Å; I847-L971 HydrophobicContact CG2-CD1 3.99Å; I847-Q974 HydrophobicContact CG2-CB 4.16Å; I847-Q974 HydrophobicContact CG2-CG 4.08Å |
| 848 | K | 87.7 | Confident | 78 | Confident | 28 Ų | 28 | 31.7 Ų | 31.7 | 12% | 0.122 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -45.7 | -174.1 | 177.9 | 178.8 | -177.7 | 173.9 | 0 | 113.4 | T767 L846 L850 T851 Y852 | T767-K848 PolarHBondContact O-NZ 3Å; T767-K848 WeakPolarHBondContact OG1-CE 3.37Å; T767-K848 PolarHBondContact OG1-NZ 2.9Å; L846-K848 PolarHBondContact O-N 2.83Å; K848-L850 VanDerWaalsContact C-N 3.34Å; K848-L850 PolarHBondContact O-N 2.93Å; K848-T851 PolarHBondContact O-OG1 3.28Å; K848-Y852 WeakPolarHBondContact O-CB 3.36Å; K848-Y852 PolarHBondContact O-N 3.19Å; K848-Y852 VanDerWaalsContact O-N 3.07Å |
| 849 | P | 89 | Confident | 80.7 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.8 | -45.7 | 166.5 | -29.2 | 35.4 | 0 | 0 | 0 | 113.4 | L764 L845 L846 Y852 W853 | L764-P849 HydrophobicContact CD1-CG 4.32Å; L764-P849 HydrophobicContact CD2-CB 4.08Å; L764-P849 HydrophobicContact CD2-CG 4.2Å; L845-P849 WeakPolarHBondContact O-CD 3.44Å; L846-P849 WeakPolarHBondContact O-CD 2.98Å; P849-Y852 WeakPolarHBondContact O-CB 3.1Å; P849-Y852 PolarHBondContact O-N 2.97Å; P849-W853 PolarHBondContact O-N 2.97Å |
| 850 | L | 91.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.6 | -38.4 | -176.6 | -73.4 | 166.8 | 0 | 0 | 0 | 113 | F835 L846 I847 K848 Y852 L854 C908 L912 I915 | F835-L850 HydrophobicContact CD2-CD1 4.28Å; F835-L850 HydrophobicContact CE2-CD1 3.85Å; F835-L850 HydrophobicContact CE2-CD2 4.07Å; F835-L850 HydrophobicContact CE2-CG 3.92Å; L846-L850 WeakPolarHBondContact O-CG 3.27Å; L846-L850 PolarHBondContact O-N 3.11Å; I847-L850 PolarHBondContact O-N 2.84Å; K848-L850 VanDerWaalsContact C-N 3.34Å; K848-L850 PolarHBondContact O-N 2.93Å; L850-Y852 VanDerWaalsContact C-N 3.35Å; L850-L854 WeakPolarHBondContact O-CB 3.45Å; L850-L854 PolarHBondContact O-N 2.91Å; L850-C908 HydrophobicContact CD2-CB 4.49Å; L850-L912 HydrophobicContact CB-CB 4.3Å; L850-L912 HydrophobicContact CB-CD1 4.26Å; L850-L912 HydrophobicContact CD1-CB 4.42Å; L850-I915 HydrophobicContact CD1-CD1 3.39Å |
| 851 | T | 92.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.5 | -35.4 | 173.4 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | I847 K848 G855 L912 Q974 L975 S978 V980 | I847-T851 HydrophobicContact CG2-CG2 4.25Å; I847-T851 WeakPolarHBondContact O-CG2 3.22Å; I847-T851 PolarHBondContact O-N 3.45Å; I847-T851 PolarHBondContact O-OG1 3.47Å; K848-T851 PolarHBondContact O-OG1 3.28Å; T851-G855 PolarHBondContact O-N 2.96Å; T851-L912 HydrophobicContact CG2-CD1 4.33Å; T851-L912 HydrophobicContact CG2-CD2 3.91Å; T851-Q974 HydrophobicContact CG2-CB 4.06Å; T851-L975 HydrophobicContact CG2-CD2 3.68Å; T851-L975 HydrophobicContact CG2-CG 3.96Å; T851-S978 VanDerWaalsContact C-CB 3.46Å; T851-S978 VanDerWaalsContact C-OG 3.24Å; T851-S978 WeakPolarHBondContact CB-OG 3.22Å; T851-S978 WeakPolarHBondContact O-CB 3.45Å; T851-S978 PolarHBondContact O-OG 2.81Å; T851-S978 PolarHBondContact OG1-OG 3.33Å; T851-V980 WeakPolarHBondContact O-CG2 3.21Å |
| 852 | Y | 92.8 | Very high | 87.3 | Confident | 11 Ų | 11 | 14 Ų | 14 | 4% | 0.043 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 174.7 | -179.8 | -90.9 | 0 | 0 | 0 | 112.1 | T760 Y784 L787 K848 P849 L850 G855 N856 S978 | T760-Y852 VanDerWaalsContact CG2-OH 3.3Å; T760-Y852 WeakPolarHBondContact CG2-OH 3.42Å; Y784-Y852 HydrophobicContact CD1-CD2 4.15Å; Y784-Y852 WeakPolarHBondContact O-CE2 3.11Å; L787-Y852 HydrophobicContact CD2-CE1 4.39Å; K848-Y852 WeakPolarHBondContact O-CB 3.36Å; K848-Y852 PolarHBondContact O-N 3.19Å; K848-Y852 VanDerWaalsContact O-N 3.07Å; P849-Y852 WeakPolarHBondContact O-CB 3.1Å; P849-Y852 PolarHBondContact O-N 2.97Å; L850-Y852 VanDerWaalsContact C-N 3.35Å; Y852-G855 PolarHBondContact O-N 2.83Å; Y852-N856 PolarHBondContact O-N 3.43Å; Y852-N856 PolarHBondContact O-ND2 3.37Å; Y852-S978 PolarHBondContact N-OG 3.16Å |
| 853 | W | 93.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 10.9 Ų | 10.9 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 177 | -75.7 | 116.8 | 0 | 0 | 0 | 112.6 | L757 L787 I828 S831 V832 P849 G855 N856 S857 | L757-W853 HydrophobicContact CD2-CH2 3.95Å; L787-W853 HydrophobicContact CD2-CE3 4.21Å; L787-W853 HydrophobicContact CD2-CH2 3.49Å; L787-W853 VanDerWaalsContact CD2-CH2 3.49Å; L787-W853 HydrophobicContact CD2-CZ3 3.28Å; I828-W853 HydrophobicContact CG1-CZ3 4.38Å; I828-W853 HydrophobicContact CG2-CE3 4.29Å; I828-W853 HydrophobicContact CG2-CZ3 4.1Å; S831-W853 WeakPolarHBondContact OG-CH2 3.34Å; S831-W853 VanDerWaalsContact OG-CZ2 3.31Å; S831-W853 WeakPolarHBondContact OG-CZ2 3.42Å; V832-W853 HydrophobicContact CG2-CB 4.14Å; V832-W853 HydrophobicContact CG2-CD2 4.04Å; V832-W853 HydrophobicContact CG2-CE3 4.31Å; V832-W853 HydrophobicContact CG2-CG 3.93Å; P849-W853 PolarHBondContact O-N 2.97Å; W853-G855 VanDerWaalsContact C-N 3.28Å; W853-G855 PolarHBondContact O-N 2.89Å; W853-N856 PolarHBondContact O-N 2.95Å; W853-S857 VanDerWaalsContact O-CB 3.28Å; W853-S857 WeakPolarHBondContact O-CB 3.43Å; W853-S857 PolarHBondContact O-N 2.81Å; W853-S857 PolarHBondContact O-OG 2.79Å; W853-S857 VanDerWaalsContact O-OG 3.1Å |
| 854 | L | 94.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 175.7 | -174.8 | 64.2 | 0 | 0 | 0 | 112.3 | L850 S858 V905 C908 F909 L912 L975 V980 L984 | L850-L854 WeakPolarHBondContact O-CB 3.45Å; L850-L854 PolarHBondContact O-N 2.91Å; L854-S858 WeakPolarHBondContact O-CB 3.43Å; L854-S858 PolarHBondContact O-N 3Å; L854-S858 PolarHBondContact O-OG 2.9Å; L854-V905 HydrophobicContact CD1-CG1 3.94Å; L854-V905 WeakPolarHBondContact CD1-O 3.41Å; L854-C908 HydrophobicContact CB-CB 4.09Å; L854-C908 HydrophobicContact CD1-CB 4.12Å; L854-F909 HydrophobicContact CD1-CB 4.2Å; L854-L912 HydrophobicContact CD2-CD2 4.06Å; L854-L975 HydrophobicContact CD2-CD2 4.32Å; L854-V980 HydrophobicContact CB-CG2 4.37Å; L854-V980 HydrophobicContact CD2-CG1 3.86Å; L854-V980 HydrophobicContact CD2-CG2 4.35Å; L854-V980 HydrophobicContact CG-CG1 4.01Å; L854-V980 HydrophobicContact CG-CG2 4.35Å; L854-L984 HydrophobicContact CD1-CD1 4.24Å; L854-L984 HydrophobicContact CG-CD1 4.43Å |
| 855 | G | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.1 | -57.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T851 Y852 W853 S857 S858 E859 | T851-G855 PolarHBondContact O-N 2.96Å; Y852-G855 PolarHBondContact O-N 2.83Å; W853-G855 VanDerWaalsContact C-N 3.28Å; W853-G855 PolarHBondContact O-N 2.89Å; G855-S857 PolarHBondContact O-N 2.71Å; G855-S858 PolarHBondContact O-N 3.34Å; G855-S858 PolarHBondContact O-OG 3.21Å; G855-E859 PolarHBondContact O-N 3.01Å |
| 856 | N | 93.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 12.3 Ų | 12.3 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65 | -43 | -174.4 | -76.6 | -81.8 | 0 | 0 | 0 | 113.4 | Y784 L785 L787 A788 Y852 W853 S858 L860 | Y784-N856 PolarHBondContact O-ND2 3.49Å; L785-N856 VanDerWaalsContact C-OD1 3.31Å; L785-N856 VanDerWaalsContact CA-OD1 3.28Å; L785-N856 WeakPolarHBondContact CA-OD1 3.38Å; L785-N856 PolarHBondContact O-OD1 3.14Å; L787-N856 HydrophobicContact CB-CB 4.38Å; L787-N856 WeakPolarHBondContact CB-OD1 3.5Å; L787-N856 HydrophobicContact CD2-CB 4.3Å; A788-N856 HydrophobicContact CB-CB 4.31Å; A788-N856 WeakPolarHBondContact CB-O 3.23Å; A788-N856 PolarHBondContact N-OD1 3.05Å; Y852-N856 PolarHBondContact O-N 3.43Å; Y852-N856 PolarHBondContact O-ND2 3.37Å; W853-N856 PolarHBondContact O-N 2.95Å; N856-S858 VanDerWaalsContact C-N 3.34Å; N856-S858 PolarHBondContact O-N 2.96Å; N856-L860 VanDerWaalsContact O-CB 3.3Å; N856-L860 WeakPolarHBondContact O-CB 3.19Å; N856-L860 PolarHBondContact O-N 2.73Å |
| 857 | S | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.3 | -33.4 | -179 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | I828 W853 G855 L861 T904 | I828-S857 WeakPolarHBondContact CG2-OG 3.49Å; W853-S857 VanDerWaalsContact O-CB 3.28Å; W853-S857 WeakPolarHBondContact O-CB 3.43Å; W853-S857 PolarHBondContact O-N 2.81Å; W853-S857 PolarHBondContact O-OG 2.79Å; W853-S857 VanDerWaalsContact O-OG 3.1Å; G855-S857 PolarHBondContact O-N 2.71Å; S857-L861 WeakPolarHBondContact O-CB 3.37Å; S857-L861 PolarHBondContact O-N 2.83Å; S857-T904 WeakPolarHBondContact OG-CG2 3.45Å |
| 858 | S | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -77.2 | -39.1 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | L854 G855 N856 L861 H862 Y1163 | L854-S858 WeakPolarHBondContact O-CB 3.43Å; L854-S858 PolarHBondContact O-N 3Å; L854-S858 PolarHBondContact O-OG 2.9Å; G855-S858 PolarHBondContact O-N 3.34Å; G855-S858 PolarHBondContact O-OG 3.21Å; N856-S858 VanDerWaalsContact C-N 3.34Å; N856-S858 PolarHBondContact O-N 2.96Å; S858-L861 PolarHBondContact O-N 3.18Å; S858-H862 WeakPolarHBondContact O-CB 3.33Å; S858-H862 PolarHBondContact O-N 2.81Å; S858-Y1163 WeakPolarHBondContact O-CE1 3.23Å |
| 859 | E | 93 | Very high | 88.7 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 174 | -165.2 | 94.1 | 164.4 | 0 | 0 | 111.2 | L785 A788 Y789 G855 H862 F863 Y1163 V1164 S1165 | L785-E859 HydrophobicContact CD1-CG 4.21Å; L785-E859 HydrophobicContact CD2-CB 4.28Å; A788-E859 HydrophobicContact CB-CB 4.22Å; Y789-E859 HydrophobicContact CE2-CG 4.19Å; G855-E859 PolarHBondContact O-N 3.01Å; E859-H862 PolarHBondContact O-N 2.67Å; E859-F863 HydrophobicContact CG-CE2 4.03Å; E859-F863 HydrophobicContact CG-CZ 4.2Å; E859-F863 WeakPolarHBondContact O-CD2 3.2Å; E859-F863 PolarHBondContact O-N 2.93Å; E859-Y1163 WeakPolarHBondContact OE2-CB 3.42Å; E859-V1164 WeakPolarHBondContact OE1-CB 3.21Å; E859-V1164 PolarHBondContact OE1-N 2.94Å; E859-V1164 PolarHBondContact OE2-N 3.47Å; E859-V1164 VanDerWaalsContact OE2-N 3.14Å; E859-S1165 WeakPolarHBondContact OE1-CB 3.42Å; E859-S1165 PolarHBondContact OE1-N 2.82Å; E859-S1165 PolarHBondContact OE1-OG 2.93Å |
| 860 | L | 93.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 175.6 | -176.3 | 64.5 | 0 | 0 | 0 | 112.6 | A788 L791 I828 N856 H862 F863 F864 L901 | A788-L860 HydrophobicContact CB-CB 4.14Å; L791-L860 HydrophobicContact CB-CD1 4.43Å; L791-L860 HydrophobicContact CB-CD2 4.43Å; L791-L860 HydrophobicContact CD1-CD2 3.99Å; I828-L860 HydrophobicContact CD1-CD2 3.43Å; I828-L860 VanDerWaalsContact CD1-CD2 3.43Å; N856-L860 VanDerWaalsContact O-CB 3.3Å; N856-L860 WeakPolarHBondContact O-CB 3.19Å; N856-L860 PolarHBondContact O-N 2.73Å; L860-H862 VanDerWaalsContact C-N 3.3Å; L860-H862 PolarHBondContact O-N 2.9Å; L860-F863 HydrophobicContact CD1-CD2 4.46Å; L860-F863 WeakPolarHBondContact O-CB 3.2Å; L860-F863 PolarHBondContact O-N 2.93Å; L860-F864 HydrophobicContact CD1-CD1 4.48Å; L860-F864 HydrophobicContact CD1-CE1 4.02Å; L860-F864 HydrophobicContact CD1-CE2 4.06Å; L860-F864 HydrophobicContact CD1-CZ 3.81Å; L860-F864 HydrophobicContact CD2-CE2 4.15Å; L860-F864 HydrophobicContact CD2-CZ 4.42Å; L860-F864 HydrophobicContact CG-CD2 4.26Å; L860-F864 HydrophobicContact CG-CE2 3.92Å; L860-F864 HydrophobicContact CG-CZ 4.18Å; L860-F864 PolarHBondContact O-N 3.12Å; L860-L901 HydrophobicContact CD2-CD1 4.45Å; L860-L901 HydrophobicContact CD2-CD2 4.35Å; L860-L901 HydrophobicContact CG-CD1 4.46Å |
| 861 | L | 92.6 | Very high | 86.1 | Confident | 14 Ų | 14 | 17.6 Ų | 17.6 | 7% | 0.073 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 173.1 | 177.9 | 58.9 | 0 | 0 | 0 | 111.5 | S857 S858 K865 L898 L901 A902 L1158 | S857-L861 WeakPolarHBondContact O-CB 3.37Å; S857-L861 PolarHBondContact O-N 2.83Å; S858-L861 PolarHBondContact O-N 3.18Å; L861-K865 WeakPolarHBondContact O-CB 3.25Å; L861-K865 PolarHBondContact O-N 3.04Å; L861-L898 HydrophobicContact CD1-CB 4.26Å; L861-L898 HydrophobicContact CD1-CD2 3.8Å; L861-L901 HydrophobicContact CB-CB 4.23Å; L861-L901 HydrophobicContact CD1-CB 4.06Å; L861-A902 HydrophobicContact CD2-CB 4.05Å; L861-L1158 HydrophobicContact CD2-CD1 3.94Å; L861-L1158 HydrophobicContact CD2-CD2 4.42Å |
| 862 | H | 89.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | 174.2 | 174.8 | 97.3 | 0 | 0 | 0 | 112.4 | S858 E859 L860 N866 A1160 Y1163 S1165 D1166 T1207 | S858-H862 WeakPolarHBondContact O-CB 3.33Å; S858-H862 PolarHBondContact O-N 2.81Å; E859-H862 PolarHBondContact O-N 2.67Å; L860-H862 VanDerWaalsContact C-N 3.3Å; L860-H862 PolarHBondContact O-N 2.9Å; H862-N866 PolarHBondContact CE1-ND2 3.04Å; H862-N866 PolarHBondContact ND1-ND2 2.98Å; H862-N866 PolarHBondContact NE2-ND2 3.2Å; H862-N866 PolarHBondContact O-N 2.87Å; H862-N866 PolarHBondContact O-ND2 2.84Å; H862-A1160 PolarHBondContact ND1-O 2.95Å; H862-Y1163 HydrophobicContact CB-CD1 3.77Å; H862-Y1163 HydrophobicContact CB-CD2 3.99Å; H862-Y1163 HydrophobicContact CB-CE1 3.8Å; H862-Y1163 HydrophobicContact CB-CE2 4.01Å; H862-Y1163 HydrophobicContact CB-CG 3.85Å; H862-Y1163 AromaticContact CE1-CD2 3.49Å; H862-Y1163 VanDerWaalsContact CE1-CD2 3.49Å; H862-Y1163 WeakPolarHBondContact CE1-CD2 3.04Å; H862-Y1163 AromaticContact CG-CD2 3.52Å; H862-Y1163 AromaticContact CG-CE2 3.89Å; H862-Y1163 AromaticContact CG-CG 3.58Å; H862-Y1163 AromaticContact ND1-CD2 3Å; H862-Y1163 WeakPolarHBondContact ND1-CD2 3.19Å; H862-Y1163 AromaticContact ND1-CE2 3.32Å; H862-Y1163 VanDerWaalsContact ND1-CE2 3.32Å; H862-Y1163 WeakPolarHBondContact ND1-CE2 3.28Å; H862-Y1163 AromaticContact ND1-CG 3.57Å; H862-S1165 PolarHBondContact CD2-OG 2.85Å; H862-D1166 IonicContact CE1-OD2 3.33Å; H862-D1166 PolarHBondContact CE1-OD2 2.89Å; H862-D1166 VanDerWaalsContact CE1-OD2 3.24Å; H862-D1166 IonicContact NE2-OD2 2.92Å; H862-D1166 PolarHBondContact NE2-OD2 3.44Å; H862-T1207 WeakPolarHBondContact NE2-CG2 3.45Å |
| 863 | F | 89.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.4 | -54.8 | 173 | -72.2 | -43.9 | 0 | 0 | 0 | 111.8 | A788 Y789 Y792 E859 L860 K865 N866 D867 S1165 W1206 M1210 | A788-F863 HydrophobicContact CB-CE2 4.42Å; Y789-F863 HydrophobicContact CD1-CZ 4.39Å; Y789-F863 AromaticContact CD2-CE2 3.9Å; Y789-F863 HydrophobicContact CD2-CE2 3.9Å; Y789-F863 AromaticContact CD2-CZ 3.99Å; Y789-F863 HydrophobicContact CD2-CZ 3.99Å; Y789-F863 HydrophobicContact CE1-CZ 4.08Å; Y789-F863 AromaticContact CE2-CE2 3.93Å; Y789-F863 HydrophobicContact CE2-CE2 3.93Å; Y789-F863 AromaticContact CE2-CZ 3.63Å; Y789-F863 HydrophobicContact CE2-CZ 3.63Å; Y789-F863 HydrophobicContact CG-CE2 4.34Å; Y789-F863 HydrophobicContact CG-CZ 4.35Å; Y789-F863 AromaticContact CZ-CZ 3.67Å; Y792-F863 HydrophobicContact CD2-CB 3.59Å; Y792-F863 HydrophobicContact CD2-CD2 4.31Å; Y792-F863 HydrophobicContact CD2-CG 4.1Å; Y792-F863 HydrophobicContact CE2-CB 3.85Å; Y792-F863 HydrophobicContact CG-CB 4.13Å; Y792-F863 HydrophobicContact CG-CD2 4.04Å; Y792-F863 HydrophobicContact CG-CG 4.13Å; E859-F863 HydrophobicContact CG-CE2 4.03Å; E859-F863 HydrophobicContact CG-CZ 4.2Å; E859-F863 WeakPolarHBondContact O-CD2 3.2Å; E859-F863 PolarHBondContact O-N 2.93Å; L860-F863 HydrophobicContact CD1-CD2 4.46Å; L860-F863 WeakPolarHBondContact O-CB 3.2Å; L860-F863 PolarHBondContact O-N 2.93Å; F863-K865 PolarHBondContact O-N 2.85Å; F863-N866 PolarHBondContact O-N 2.6Å; F863-D867 PolarHBondContact O-N 2.99Å; F863-D867 VanDerWaalsContact O-N 3.13Å; F863-S1165 VanDerWaalsContact CE1-CB 3.46Å; F863-W1206 HydrophobicContact CE1-CB 4.36Å; F863-M1210 HydrophobicContact CD1-CE 3.96Å; F863-M1210 HydrophobicContact CE1-CE 3.94Å |
| 864 | F | 89.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -31.7 | -178.3 | -69.3 | -23.8 | 0 | 0 | 0 | 113 | Y792 Y795 T821 M824 L860 L870 L898 L901 | Y792-F864 HydrophobicContact CD2-CD1 4.03Å; Y792-F864 AromaticContact CD2-CE1 3.97Å; Y792-F864 HydrophobicContact CD2-CE1 3.97Å; Y792-F864 HydrophobicContact CE2-CD1 4.18Å; Y792-F864 HydrophobicContact CE2-CE1 4.43Å; Y795-F864 HydrophobicContact CD1-CD1 4.26Å; Y795-F864 AromaticContact CD1-CE1 3.76Å; Y795-F864 HydrophobicContact CD1-CE1 3.76Å; Y795-F864 HydrophobicContact CD2-CE1 4.14Å; Y795-F864 HydrophobicContact CE1-CD1 4.48Å; Y795-F864 HydrophobicContact CE1-CE1 4.33Å; Y795-F864 AromaticContact CG-CE1 3.7Å; Y795-F864 HydrophobicContact CG-CE1 3.7Å; Y795-F864 HydrophobicContact CG-CZ 4.38Å; T821-F864 HydrophobicContact CG2-CD2 3.94Å; T821-F864 HydrophobicContact CG2-CE2 3.69Å; T821-F864 HydrophobicContact CG2-CZ 4.08Å; M824-F864 HydrophobicContact CE-CZ 3.78Å; M824-F864 HydrophobicContact SD-CZ 4.11Å; L860-F864 HydrophobicContact CD1-CD1 4.48Å; L860-F864 HydrophobicContact CD1-CE1 4.02Å; L860-F864 HydrophobicContact CD1-CE2 4.06Å; L860-F864 HydrophobicContact CD1-CZ 3.81Å; L860-F864 HydrophobicContact CD2-CE2 4.15Å; L860-F864 HydrophobicContact CD2-CZ 4.42Å; L860-F864 HydrophobicContact CG-CD2 4.26Å; L860-F864 HydrophobicContact CG-CE2 3.92Å; L860-F864 HydrophobicContact CG-CZ 4.18Å; L860-F864 PolarHBondContact O-N 3.12Å; F864-L870 HydrophobicContact CB-CD1 3.7Å; F864-L870 HydrophobicContact CD1-CD1 3.67Å; F864-L870 HydrophobicContact CG-CD1 3.9Å; F864-L870 WeakPolarHBondContact O-CD1 3.45Å; F864-L898 HydrophobicContact CB-CD2 3.65Å; F864-L901 HydrophobicContact CD2-CD1 3.64Å; F864-L901 HydrophobicContact CE2-CD1 3.85Å |
| 865 | K | 84.2 | Confident | 74.6 | Confident | 117 Ų | 117 | 35.5 Ų | 35.5 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -73.1 | -20.9 | 175.7 | -176.1 | 179.1 | 174.3 | -171.1 | 0 | 114.3 | L861 F863 | L861-K865 WeakPolarHBondContact O-CB 3.25Å; L861-K865 PolarHBondContact O-N 3.04Å; F863-K865 PolarHBondContact O-N 2.85Å |
| 866 | N | 81.6 | Confident | 71.3 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -105.5 | -0.4 | 179.6 | -77.6 | -77.3 | 0 | 0 | 0 | 113.7 | H862 F863 R1211 | H862-N866 PolarHBondContact CE1-ND2 3.04Å; H862-N866 PolarHBondContact ND1-ND2 2.98Å; H862-N866 PolarHBondContact NE2-ND2 3.2Å; H862-N866 PolarHBondContact O-N 2.87Å; H862-N866 PolarHBondContact O-ND2 2.84Å; F863-N866 PolarHBondContact O-N 2.6Å; N866-R1211 PolarHBondContact OD1-NE 3.46Å; N866-R1211 PolarHBondContact OD1-NH2 3.13Å |
| 867 | D | 82.6 | Confident | 68.1 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | trans | -78.7 | 121.9 | -176.8 | -165.2 | -35.4 | 0 | 0 | 0 | 111.8 | Y792 R796 F863 D869 L870 C871 | Y792-D867 WeakPolarHBondContact CE2-OD2 3.36Å; Y792-D867 PolarHBondContact OH-OD2 3.46Å; R796-D867 IonicContact CZ-OD1 3.4Å; R796-D867 IonicContact CZ-OD2 2.6Å; R796-D867 VanDerWaalsContact CZ-OD2 3.23Å; R796-D867 IonicContact NE-OD2 2.63Å; R796-D867 PolarHBondContact NE-OD2 3.21Å; R796-D867 IonicContact NH1-OD1 2.68Å; R796-D867 PolarHBondContact NH1-OD1 3.26Å; R796-D867 IonicContact NH1-OD2 2.62Å; R796-D867 IonicContact NH2-OD1 2.71Å; R796-D867 PolarHBondContact NH2-OD1 2.97Å; R796-D867 IonicContact NH2-OD2 3.19Å; R796-D867 PolarHBondContact NH2-OD2 3.25Å; R796-D867 VanDerWaalsContact NH2-OD2 3.09Å; F863-D867 PolarHBondContact O-N 2.99Å; F863-D867 VanDerWaalsContact O-N 3.13Å; D867-D869 VanDerWaalsContact C-N 3.29Å; D867-D869 PolarHBondContact O-N 3.01Å; D867-D869 PolarHBondContact OD1-N 2.71Å; D867-L870 HydrophobicContact CB-CB 4.18Å; D867-L870 HydrophobicContact CB-CD1 4.03Å; D867-L870 HydrophobicContact CB-CG 4.31Å; D867-L870 PolarHBondContact O-N 2.93Å; D867-C871 WeakPolarHBondContact O-CB 3.42Å; D867-C871 PolarHBondContact O-N 3.47Å | ||
| 868 | I | 70.2 | Confident | 64.7 | Low | 46 Ų | 46 | 59.3 Ų | 59.3 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.6 | -41.3 | 174.9 | -69 | 170.6 | 0 | 0 | 0 | 112 | L870 C871 S872 M1210 R1211 L1212 | I868-L870 PolarHBondContact O-N 3.49Å; I868-C871 PolarHBondContact O-N 3.05Å; I868-S872 WeakPolarHBondContact O-CA 3.28Å; I868-S872 WeakPolarHBondContact O-CB 3.29Å; I868-S872 PolarHBondContact O-N 2.98Å; I868-M1210 WeakPolarHBondContact CD1-O 3.44Å; I868-M1210 WeakPolarHBondContact CG1-O 3.45Å; I868-R1211 VanDerWaalsContact CD1-C 3.41Å; I868-L1212 WeakPolarHBondContact CD1-O 3.44Å |
| 869 | D | 65.8 | Low | 61.3 | Low | 53 Ų | 53 | 70.3 Ų | 70.3 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76 | -13.5 | -174.5 | -68.9 | -33.8 | 0 | 0 | 0 | 113 | R796 I799 D867 Q890 | R796-D869 IonicContact CZ-OD2 3.26Å; R796-D869 IonicContact NH1-OD2 3.72Å; R796-D869 PolarHBondContact NH1-OD2 3.43Å; I799-D869 HydrophobicContact CD1-CB 4.12Å; D867-D869 VanDerWaalsContact C-N 3.29Å; D867-D869 PolarHBondContact O-N 3.01Å; D867-D869 PolarHBondContact OD1-N 2.71Å; D869-Q890 PolarHBondContact O-NE2 3.3Å |
| 870 | L | 67.9 | Low | 58.2 | Low | 14 Ų | 14 | 78 Ų | 78 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -94.4 | -41.3 | 169.1 | -73 | 168.4 | 0 | 0 | 0 | 112.4 | Y795 I817 F864 D867 I868 C894 | Y795-L870 HydrophobicContact CE1-CD1 3.89Å; Y795-L870 HydrophobicContact CE1-CG 4.14Å; Y795-L870 HydrophobicContact CE2-CD2 4.44Å; Y795-L870 WeakPolarHBondContact OH-CD2 3.29Å; Y795-L870 WeakPolarHBondContact OH-CG 3.36Å; I817-L870 HydrophobicContact CG2-CD2 4.08Å; F864-L870 HydrophobicContact CB-CD1 3.7Å; F864-L870 HydrophobicContact CD1-CD1 3.67Å; F864-L870 HydrophobicContact CG-CD1 3.9Å; F864-L870 WeakPolarHBondContact O-CD1 3.45Å; D867-L870 HydrophobicContact CB-CB 4.18Å; D867-L870 HydrophobicContact CB-CD1 4.03Å; D867-L870 HydrophobicContact CB-CG 4.31Å; D867-L870 PolarHBondContact O-N 2.93Å; I868-L870 PolarHBondContact O-N 3.49Å; L870-C894 HydrophobicContact CD2-CB 3.99Å; L870-C894 VanDerWaalsContact CD2-SG 3.51Å |
| 871 | C | 58.9 | Low | 55 | Low | 59 Ų | 59 | 86 Ų | 86 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -104.9 | -8.6 | -166.3 | -63.2 | 0 | 0 | 0 | 0 | 114.9 | D867 I868 N873 | D867-C871 WeakPolarHBondContact O-CB 3.42Å; D867-C871 PolarHBondContact O-N 3.47Å; I868-C871 PolarHBondContact O-N 3.05Å; C871-N873 PolarHBondContact O-N 3.21Å; C871-N873 VanDerWaalsContact O-N 3.12Å |
| 872 | S | 44.8 | Very low | 52 | Low | 39 Ų | 39 | 92.4 Ų | 92.4 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | trans | -81.7 | 98.3 | -173.2 | -166.6 | 0 | 0 | 0 | 0 | 113.1 | I868 H874 | I868-S872 WeakPolarHBondContact O-CA 3.28Å; I868-S872 WeakPolarHBondContact O-CB 3.29Å; I868-S872 PolarHBondContact O-N 2.98Å; S872-H874 PolarHBondContact O-N 2.59Å; S872-H874 WeakPolarHBondContact OG-CB 3.33Å; S872-H874 PolarHBondContact OG-ND1 3.33Å | ||
| 873 | N | 29.4 | Very low | 49.1 | Very low | 115 Ų | 115 | 99.4 Ų | 99.4 | 62% | 0.615 | 49% | 0.492 | S | S | * | . | trans | -67.8 | 54.8 | 158.7 | -74.3 | -76.2 | 0 | 0 | 0 | 111.4 | C871 S875 | C871-N873 PolarHBondContact O-N 3.21Å; C871-N873 VanDerWaalsContact O-N 3.12Å; N873-S875 PolarHBondContact O-N 3.41Å | ||
| 874 | H | 31.1 | Very low | 46.2 | Very low | 150 Ų | 150 | 108.5 Ų | 108.5 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | trans | -83.6 | 97.9 | 179.2 | -107.9 | 57.5 | 0 | 0 | 0 | 112.1 | S872 R876 | S872-H874 PolarHBondContact O-N 2.59Å; S872-H874 WeakPolarHBondContact OG-CB 3.33Å; S872-H874 PolarHBondContact OG-ND1 3.33Å; H874-R876 PolarHBondContact O-N 3.06Å | ||
| 875 | S | 26 | Very low | 43.4 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 62% | 0.615 | 56% | 0.563 | S | S | * | * | trans | -50.7 | 110.4 | 163.9 | 55 | 0 | 0 | 0 | 0 | 111.2 | N873 T877 | N873-S875 PolarHBondContact O-N 3.41Å; S875-T877 PolarHBondContact O-N 2.97Å | ||
| 876 | R | 24.8 | Very low | 41 | Very low | 239 Ų | 239 | 108.1 Ų | 108.1 | 90% | 0.902 | 55% | 0.551 | S | S | * | * | trans | -67.6 | 77.3 | 170 | -92.8 | -177.5 | 162.9 | 172.3 | -3.6 | 110.3 | H874 N878 | H874-R876 PolarHBondContact O-N 3.06Å; R876-N878 PolarHBondContact O-N 3.2Å | ||
| 877 | T | 27.2 | Very low | 39 | Very low | 112 Ų | 112 | 109.3 Ų | 109.3 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | trans | -62.6 | 128.6 | 168.9 | 55.1 | 0 | 0 | 0 | 0 | 109 | S875 | S875-T877 PolarHBondContact O-N 2.97Š| ||
| 878 | N | 22.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 114.8 Ų | 114.8 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 68.2 | 79.4 | -177.1 | -52.7 | -33.2 | 0 | 0 | 0 | 116.8 | R876 | R876-N878 PolarHBondContact O-N 3.2Š|
| 879 | R | 23.3 | Very low | 35.2 | Very low | 232 Ų | 232 | 115.3 Ų | 115.3 | 88% | 0.875 | 59% | 0.593 | S | S | * | * | S | Bend | -163.5 | 137.9 | 100.9 | -97.2 | 167.1 | -167.9 | -159.1 | 3.4 | 111.8 | |||
| 880 | H | 27.3 | Very low | 33.9 | Very low | 164 Ų | 164 | 115.7 Ų | 115.7 | 76% | 0.759 | 59% | 0.593 | S | S | * | * | trans | 11.6 | 115.8 | 168.1 | -61.2 | -86.4 | 0 | 0 | 0 | 120.9 | ||||
| 881 | Q | 25.4 | Very low | 33 | Very low | 169 Ų | 169 | 117.6 Ų | 117.6 | 79% | 0.79 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 47.7 | 131.3 | 131.9 | -69.8 | 170.7 | -36.4 | 0 | 0 | 120.8 | ||
| 882 | N | 30.5 | Very low | 32.6 | Very low | 149 Ų | 149 | 118.5 Ų | 118.5 | 80% | 0.797 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 64.5 | 64.1 | 161.1 | -57.9 | 0.9 | 0 | 0 | 0 | 116.8 | ||
| 883 | D | 28.5 | Very low | 32.9 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 80% | 0.802 | 61% | 0.612 | S | S | * | * | -169.6 | 126.5 | 120.8 | -94.1 | -25.8 | 0 | 0 | 0 | 109.9 | |||||
| 884 | Q | 29.6 | Very low | 34.7 | Very low | 192 Ų | 192 | 114.3 Ų | 114.3 | 90% | 0.897 | 59% | 0.585 | S | S | * | * | trans | -125 | 17.3 | -173.9 | -71.9 | -165.9 | -17.1 | 0 | 0 | 114.4 | ||||
| 885 | S | 30.9 | Very low | 36.8 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -82.9 | -40.6 | 173 | 44.2 | 0 | 0 | 0 | 0 | 113 | S887 | S885-S887 VanDerWaalsContact C-N 3.34Å; S885-S887 PolarHBondContact O-N 2.71Å |
| 886 | G | 32.7 | Very low | 39.3 | Very low | 25 Ų | 25 | 110 Ų | 110 | 26% | 0.258 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 52.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L810 | L810-G886 WeakPolarHBondContact CD2-O 3.4Š|
| 887 | S | 40.1 | Very low | 42.1 | Very low | 62 Ų | 62 | 98.6 Ų | 98.6 | 43% | 0.434 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | -10.9 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 114.6 | S885 | S885-S887 VanDerWaalsContact C-N 3.34Å; S885-S887 PolarHBondContact O-N 2.71Å |
| 888 | I | 37 | Very low | 45 | Very low | 116 Ų | 116 | 95.5 Ų | 95.5 | 60% | 0.595 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -29.7 | 175.4 | -67.2 | 167.1 | 0 | 0 | 0 | 110.2 | Q890 S891 V892 | I888-Q890 PolarHBondContact O-N 2.95Å; I888-S891 PolarHBondContact O-N 3.31Å; I888-S891 PolarHBondContact O-OG 2.73Å; I888-V892 HydrophobicContact CG2-CG2 4.39Å |
| 889 | I | 34.8 | Very low | 48.1 | Very low | 57 Ų | 57 | 92.1 Ų | 92.1 | 29% | 0.292 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | -168.9 | -60.3 | 175.3 | 0 | 0 | 0 | 111.6 | T811 E814 S891 V892 I893 | T811-I889 HydrophobicContact CG2-CD1 4.45Å; E814-I889 HydrophobicContact CB-CG2 4.32Å; E814-I889 WeakPolarHBondContact OE1-CB 3.32Å; I889-S891 PolarHBondContact O-N 3.04Å; I889-V892 PolarHBondContact O-N 3.14Å; I889-I893 HydrophobicContact CG2-CD1 3.47Å; I889-I893 VanDerWaalsContact CG2-CD1 3.47Å; I889-I893 HydrophobicContact CG2-CG1 4.08Å; I889-I893 PolarHBondContact O-N 3.27Å |
| 890 | Q | 38.8 | Very low | 51.3 | Low | 61 Ų | 61 | 82.6 Ų | 82.6 | 29% | 0.285 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -47.5 | -32.8 | 176.7 | -161.2 | 166.8 | -5.9 | 0 | 0 | 114.3 | E814 D869 I888 | E814-Q890 HydrophobicContact CG-CB 4.15Å; E814-Q890 HydrophobicContact CG-CG 4.44Å; E814-Q890 WeakPolarHBondContact OE1-CA 3.49Å; E814-Q890 WeakPolarHBondContact OE1-CB 3.33Å; E814-Q890 PolarHBondContact OE1-N 2.99Å; D869-Q890 PolarHBondContact O-NE2 3.3Å; I888-Q890 PolarHBondContact O-N 2.95Å |
| 891 | S | 49.2 | Very low | 54.4 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 37% | 0.371 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -85.6 | -20.8 | -179.3 | 72.9 | 0 | 0 | 0 | 0 | 115 | I888 I889 | I888-S891 PolarHBondContact O-N 3.31Å; I888-S891 PolarHBondContact O-OG 2.73Å; I889-S891 PolarHBondContact O-N 3.04Å |
| 892 | V | 50.5 | Low | 57.6 | Low | 78 Ų | 78 | 67.8 Ų | 67.8 | 47% | 0.473 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -91.6 | -48.3 | -171.2 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | I888 I889 C894 R895 | I888-V892 HydrophobicContact CG2-CG2 4.39Å; I889-V892 PolarHBondContact O-N 3.14Å; V892-C894 PolarHBondContact O-N 3.41Å; V892-R895 VanDerWaalsContact O-CB 3.28Å; V892-R895 WeakPolarHBondContact O-CB 3.42Å; V892-R895 PolarHBondContact O-N 3.05Å; V892-R895 VanDerWaalsContact O-N 3.17Å |
| 893 | I | 51.6 | Low | 60.4 | Low | 58 Ų | 58 | 65.1 Ų | 65.1 | 30% | 0.297 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.6 | -166.8 | -44.4 | 178.9 | 0 | 0 | 0 | 112.4 | S818 N822 I889 R895 | S818-I893 WeakPolarHBondContact OG-CB 3.5Å; N822-I893 PolarHBondContact ND2-O 3.5Å; N822-I893 VanDerWaalsContact ND2-O 3.13Å; I889-I893 HydrophobicContact CG2-CD1 3.47Å; I889-I893 VanDerWaalsContact CG2-CD1 3.47Å; I889-I893 HydrophobicContact CG2-CG1 4.08Å; I889-I893 PolarHBondContact O-N 3.27Å; I893-R895 VanDerWaalsContact C-N 3.33Å |
| 894 | C | 67.4 | Low | 63.4 | Low | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -8.3 | 172.7 | -70.7 | 0 | 0 | 0 | 0 | 114.3 | S818 L870 V892 D896 | S818-C894 VanDerWaalsContact CA-SG 3.6Å; S818-C894 PolarHBondContact OG-N 3.3Å; S818-C894 PolarHBondContact OG-SG 2.87Å; L870-C894 HydrophobicContact CD2-CB 3.99Å; L870-C894 VanDerWaalsContact CD2-SG 3.51Å; V892-C894 PolarHBondContact O-N 3.41Å; C894-D896 PolarHBondContact O-N 3.13Å |
| 895 | R | 74.3 | Confident | 66.5 | Low | 57 Ų | 57 | 48.9 Ų | 48.9 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.6 | -31.2 | -170 | -164.1 | -159.9 | 63.7 | 157.1 | -0 | 112.8 | V892 I893 L898 H899 H1331 S1333 | V892-R895 VanDerWaalsContact O-CB 3.28Å; V892-R895 WeakPolarHBondContact O-CB 3.42Å; V892-R895 PolarHBondContact O-N 3.05Å; V892-R895 VanDerWaalsContact O-N 3.17Å; I893-R895 VanDerWaalsContact C-N 3.33Å; R895-L898 WeakPolarHBondContact O-CB 3.31Å; R895-L898 PolarHBondContact O-N 2.88Å; R895-L898 VanDerWaalsContact O-N 3.15Å; R895-H899 PolarHBondContact NE-NE2 3.47Å; R895-H899 PolarHBondContact O-CD2 3.13Å; R895-H899 VanDerWaalsContact O-CD2 3.26Å; R895-H899 PolarHBondContact O-N 3.46Å; R895-H1331 PolarHBondContact NH1-O 3.16Å; R895-S1333 PolarHBondContact NH2-OG 2.91Å |
| 896 | D | 79.3 | Confident | 69.4 | Low | 90 Ų | 90 | 48.6 Ų | 48.6 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.7 | -31.3 | -176.9 | -60.4 | -21.7 | 0 | 0 | 0 | 111.3 | C894 H899 L900 | C894-D896 PolarHBondContact O-N 3.13Å; D896-H899 PolarHBondContact O-N 3.14Å; D896-L900 WeakPolarHBondContact O-CB 3.36Å; D896-L900 PolarHBondContact O-N 3.3Å |
| 897 | A | 83.5 | Confident | 72.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T821 N822 A825 H899 L900 L901 | T821-A897 HydrophobicContact CG2-CB 3.67Å; T821-A897 WeakPolarHBondContact O-CB 3.1Å; N822-A897 WeakPolarHBondContact OD1-CA 3.43Å; N822-A897 VanDerWaalsContact OD1-CB 3.28Å; N822-A897 WeakPolarHBondContact OD1-CB 3.3Å; N822-A897 PolarHBondContact OD1-N 3.42Å; A825-A897 HydrophobicContact CB-CB 3.85Å; A897-H899 VanDerWaalsContact C-N 3.31Å; A897-H899 PolarHBondContact O-N 2.94Å; A897-L900 PolarHBondContact O-N 3.37Å; A897-L901 WeakPolarHBondContact O-CB 3.47Å; A897-L901 WeakPolarHBondContact O-CG 3.46Å; A897-L901 PolarHBondContact O-N 3.26Å |
| 898 | L | 87.7 | Confident | 74.5 | Confident | 46 Ų | 46 | 46 Ų | 46 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | 176.9 | -64.4 | 172.5 | 0 | 0 | 0 | 111.2 | L861 F864 R895 A902 | L861-L898 HydrophobicContact CD1-CB 4.26Å; L861-L898 HydrophobicContact CD1-CD2 3.8Å; F864-L898 HydrophobicContact CB-CD2 3.65Å; R895-L898 WeakPolarHBondContact O-CB 3.31Å; R895-L898 PolarHBondContact O-N 2.88Å; R895-L898 VanDerWaalsContact O-N 3.15Å; L898-A902 WeakPolarHBondContact O-CB 3.44Å; L898-A902 PolarHBondContact O-N 3.08Å |
| 899 | H | 87.9 | Confident | 77.3 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 38% | 0.384 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 172.9 | -76.8 | -60.8 | 0 | 0 | 0 | 112.5 | R895 D896 A897 A902 E903 | R895-H899 PolarHBondContact NE-NE2 3.47Å; R895-H899 PolarHBondContact O-CD2 3.13Å; R895-H899 VanDerWaalsContact O-CD2 3.26Å; R895-H899 PolarHBondContact O-N 3.46Å; D896-H899 PolarHBondContact O-N 3.14Å; A897-H899 VanDerWaalsContact C-N 3.31Å; A897-H899 PolarHBondContact O-N 2.94Å; H899-A902 WeakPolarHBondContact O-CB 3.23Å; H899-A902 PolarHBondContact O-N 2.98Å; H899-E903 PolarHBondContact O-N 2.76Å |
| 900 | L | 90.5 | Very high | 79.9 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.7 | -33.4 | -179.7 | -174.2 | 59.9 | 0 | 0 | 0 | 112.6 | A825 N826 Y829 D896 A897 E903 T904 | A825-L900 HydrophobicContact CB-CB 4.2Å; A825-L900 HydrophobicContact CB-CD2 4.14Å; A825-L900 HydrophobicContact CB-CG 4.38Å; N826-L900 HydrophobicContact CB-CD2 4.38Å; N826-L900 WeakPolarHBondContact OD1-CD2 3.34Å; Y829-L900 HydrophobicContact CD2-CD1 3.44Å; Y829-L900 VanDerWaalsContact CD2-CD1 3.44Å; Y829-L900 HydrophobicContact CD2-CG 4.23Å; Y829-L900 HydrophobicContact CE2-CD1 3.81Å; Y829-L900 HydrophobicContact CG-CD1 3.85Å; Y829-L900 HydrophobicContact CG-CG 4.46Å; D896-L900 WeakPolarHBondContact O-CB 3.36Å; D896-L900 PolarHBondContact O-N 3.3Å; A897-L900 PolarHBondContact O-N 3.37Å; L900-E903 PolarHBondContact O-N 2.75Å; L900-T904 WeakPolarHBondContact O-CB 3.43Å; L900-T904 PolarHBondContact O-N 2.75Å; L900-T904 PolarHBondContact O-OG1 2.94Å |
| 901 | L | 92.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 169.2 | -74.3 | 171.9 | 0 | 0 | 0 | 111.9 | A825 I828 L860 L861 F864 A897 T904 V905 | A825-L901 HydrophobicContact CB-CD2 4.4Å; A825-L901 HydrophobicContact CB-CG 3.97Å; I828-L901 HydrophobicContact CB-CD2 4.48Å; I828-L901 HydrophobicContact CD1-CD2 3.76Å; I828-L901 HydrophobicContact CG2-CD2 4.19Å; L860-L901 HydrophobicContact CD2-CD1 4.45Å; L860-L901 HydrophobicContact CD2-CD2 4.35Å; L860-L901 HydrophobicContact CG-CD1 4.46Å; L861-L901 HydrophobicContact CB-CB 4.23Å; L861-L901 HydrophobicContact CD1-CB 4.06Å; F864-L901 HydrophobicContact CD2-CD1 3.64Å; F864-L901 HydrophobicContact CE2-CD1 3.85Å; A897-L901 WeakPolarHBondContact O-CB 3.47Å; A897-L901 WeakPolarHBondContact O-CG 3.46Å; A897-L901 PolarHBondContact O-N 3.26Å; L901-T904 WeakPolarHBondContact O-CB 3.49Å; L901-T904 PolarHBondContact O-N 2.89Å; L901-V905 WeakPolarHBondContact O-CG2 3.26Å; L901-V905 PolarHBondContact O-N 2.66Å |
| 902 | A | 92.2 | Very high | 84.3 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L861 L898 H899 V905 D906 L1158 | L861-A902 HydrophobicContact CD2-CB 4.05Å; L898-A902 WeakPolarHBondContact O-CB 3.44Å; L898-A902 PolarHBondContact O-N 3.08Å; H899-A902 WeakPolarHBondContact O-CB 3.23Å; H899-A902 PolarHBondContact O-N 2.98Å; A902-V905 PolarHBondContact O-N 3.34Å; A902-D906 PolarHBondContact O-N 3.23Å; A902-L1158 HydrophobicContact CB-CD1 3.69Å |
| 903 | E | 90 | Very high | 86.2 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 43% | 0.43 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 174 | -165.3 | -170.6 | 137.7 | 0 | 0 | 111.3 | Y829 H899 L900 V905 D906 H907 | Y829-E903 HydrophobicContact CE2-CB 4.46Å; Y829-E903 HydrophobicContact CE2-CG 4.08Å; Y829-E903 VanDerWaalsContact CE2-OE1 3.24Å; Y829-E903 WeakPolarHBondContact CE2-OE1 3.47Å; Y829-E903 VanDerWaalsContact CZ-OE1 3.3Å; Y829-E903 PolarHBondContact OH-OE1 3.45Å; H899-E903 PolarHBondContact O-N 2.76Å; L900-E903 PolarHBondContact O-N 2.75Å; E903-V905 VanDerWaalsContact C-N 3.28Å; E903-V905 PolarHBondContact O-N 2.75Å; E903-D906 PolarHBondContact O-N 3.06Å; E903-H907 VanDerWaalsContact O-CB 3.24Å; E903-H907 WeakPolarHBondContact O-CB 3.37Å; E903-H907 PolarHBondContact O-N 2.89Å |
| 904 | T | 91.6 | Very high | 88 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | I828 V832 S857 L900 L901 H907 C908 | I828-T904 HydrophobicContact CG2-CG2 3.79Å; V832-T904 HydrophobicContact CG2-CG2 3.67Å; S857-T904 WeakPolarHBondContact OG-CG2 3.45Å; L900-T904 WeakPolarHBondContact O-CB 3.43Å; L900-T904 PolarHBondContact O-N 2.75Å; L900-T904 PolarHBondContact O-OG1 2.94Å; L901-T904 WeakPolarHBondContact O-CB 3.49Å; L901-T904 PolarHBondContact O-N 2.89Å; T904-H907 PolarHBondContact O-N 2.98Å; T904-C908 WeakPolarHBondContact O-CB 3.33Å; T904-C908 PolarHBondContact O-N 3.31Å; T904-C908 PolarHBondContact O-SG 2.91Å |
| 905 | V | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -43.1 | 177.7 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L854 L901 A902 E903 F909 L984 L1156 L1158 | L854-V905 HydrophobicContact CD1-CG1 3.94Å; L854-V905 WeakPolarHBondContact CD1-O 3.41Å; L901-V905 WeakPolarHBondContact O-CG2 3.26Å; L901-V905 PolarHBondContact O-N 2.66Å; A902-V905 PolarHBondContact O-N 3.34Å; E903-V905 VanDerWaalsContact C-N 3.28Å; E903-V905 PolarHBondContact O-N 2.75Å; V905-F909 VanDerWaalsContact O-CB 3.25Å; V905-F909 WeakPolarHBondContact O-CB 3.31Å; V905-F909 PolarHBondContact O-N 3.45Å; V905-L984 HydrophobicContact CG1-CD1 4.34Å; V905-L984 HydrophobicContact CG1-CD2 4.41Å; V905-L1156 HydrophobicContact CG1-CD2 4.16Å; V905-L1158 HydrophobicContact CB-CD2 4.15Å; V905-L1158 HydrophobicContact CG1-CD2 3.59Å |
| 906 | D | 91.3 | Very high | 89.6 | Confident | 78 Ų | 78 | 36 Ų | 36 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.5 | -41 | 175.9 | -165.6 | 46.9 | 0 | 0 | 0 | 112.5 | A902 E903 F909 Y910 L1156 | A902-D906 PolarHBondContact O-N 3.23Å; E903-D906 PolarHBondContact O-N 3.06Å; D906-F909 PolarHBondContact O-N 3.33Å; D906-Y910 VanDerWaalsContact O-CB 3.31Å; D906-Y910 WeakPolarHBondContact O-CB 3.35Å; D906-Y910 PolarHBondContact O-N 3.4Å; D906-L1156 HydrophobicContact CB-CD2 3.99Å; D906-L1156 VanDerWaalsContact OD1-CB 3.27Å; D906-L1156 WeakPolarHBondContact OD1-CB 3.38Å; D906-L1156 WeakPolarHBondContact OD1-CD2 3.14Å |
| 907 | H | 89.8 | Confident | 89.9 | Confident | 34 Ų | 34 | 35.9 Ų | 35.9 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -51.6 | 174.4 | -158.8 | 109 | 0 | 0 | 0 | 110.6 | E903 T904 F909 Y910 Y911 | E903-H907 VanDerWaalsContact O-CB 3.24Å; E903-H907 WeakPolarHBondContact O-CB 3.37Å; E903-H907 PolarHBondContact O-N 2.89Å; T904-H907 PolarHBondContact O-N 2.98Å; H907-F909 VanDerWaalsContact C-N 3.32Å; H907-F909 PolarHBondContact O-N 2.87Å; H907-Y910 PolarHBondContact O-N 3.36Å; H907-Y911 AromaticContact CD2-CD2 3.53Å; H907-Y911 AromaticContact CD2-CE2 3.5Å; H907-Y911 AromaticContact CE1-CE2 3.88Å; H907-Y911 AromaticContact NE2-CD2 3.81Å; H907-Y911 AromaticContact NE2-CE2 3.27Å; H907-Y911 VanDerWaalsContact NE2-CE2 3.27Å; H907-Y911 WeakPolarHBondContact NE2-CE2 3.45Å; H907-Y911 VanDerWaalsContact O-CD2 3.32Å; H907-Y911 WeakPolarHBondContact O-CD2 3.46Å; H907-Y911 PolarHBondContact O-N 2.84Å |
| 908 | C | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.7 | -68 | 0 | 0 | 0 | 0 | 112.1 | L850 L854 T904 L912 | L850-C908 HydrophobicContact CD2-CB 4.49Å; L854-C908 HydrophobicContact CB-CB 4.09Å; L854-C908 HydrophobicContact CD1-CB 4.12Å; T904-C908 WeakPolarHBondContact O-CB 3.33Å; T904-C908 PolarHBondContact O-N 3.31Å; T904-C908 PolarHBondContact O-SG 2.91Å; C908-L912 WeakPolarHBondContact O-CB 3.1Å; C908-L912 PolarHBondContact O-N 3.47Å |
| 909 | F | 94.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 178 | -175 | -85 | 0 | 0 | 0 | 112 | L854 V905 D906 H907 L912 R913 Q987 L988 L1156 | L854-F909 HydrophobicContact CD1-CB 4.2Å; V905-F909 VanDerWaalsContact O-CB 3.25Å; V905-F909 WeakPolarHBondContact O-CB 3.31Å; V905-F909 PolarHBondContact O-N 3.45Å; D906-F909 PolarHBondContact O-N 3.33Å; H907-F909 VanDerWaalsContact C-N 3.32Å; H907-F909 PolarHBondContact O-N 2.87Å; F909-L912 PolarHBondContact O-N 3.06Å; F909-R913 VanDerWaalsContact O-CB 3.29Å; F909-R913 WeakPolarHBondContact O-CB 3.39Å; F909-R913 PolarHBondContact O-N 2.91Å; F909-Q987 HydrophobicContact CE2-CB 4.07Å; F909-Q987 HydrophobicContact CZ-CB 3.96Å; F909-L988 HydrophobicContact CD2-CB 4.5Å; F909-L988 HydrophobicContact CD2-CD1 4.47Å; F909-L988 HydrophobicContact CE2-CB 3.7Å; F909-L988 HydrophobicContact CE2-CD1 4.17Å; F909-L988 HydrophobicContact CZ-CB 4.06Å; F909-L988 HydrophobicContact CZ-CD1 4.2Å; F909-L1156 HydrophobicContact CB-CD2 3.88Å; F909-L1156 HydrophobicContact CD1-CD1 3.99Å; F909-L1156 HydrophobicContact CD1-CD2 4.29Å; F909-L1156 HydrophobicContact CD2-CD1 3.71Å; F909-L1156 HydrophobicContact CD2-CD2 4.36Å; F909-L1156 HydrophobicContact CE1-CD1 3.96Å; F909-L1156 HydrophobicContact CE2-CD1 3.66Å; F909-L1156 HydrophobicContact CG-CD1 3.88Å; F909-L1156 HydrophobicContact CG-CD2 3.95Å; F909-L1156 HydrophobicContact CZ-CD1 3.79Å |
| 910 | Y | 90.9 | Very high | 89.7 | Confident | 117 Ų | 117 | 32.9 Ų | 32.9 | 46% | 0.459 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 177.2 | 176.2 | -87.4 | 0 | 0 | 0 | 112.2 | D906 H907 R913 S914 | D906-Y910 VanDerWaalsContact O-CB 3.31Å; D906-Y910 WeakPolarHBondContact O-CB 3.35Å; D906-Y910 PolarHBondContact O-N 3.4Å; H907-Y910 PolarHBondContact O-N 3.36Å; Y910-R913 WeakPolarHBondContact O-CB 3.37Å; Y910-R913 PolarHBondContact O-N 3.3Å; Y910-S914 WeakPolarHBondContact O-CB 3.34Å; Y910-S914 PolarHBondContact O-N 3.21Å |
| 911 | Y | 88.6 | Confident | 89.4 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 22% | 0.22 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68 | -39 | 178.4 | -83 | -80.6 | 0 | 0 | 0 | 111.9 | F835 H907 R913 S914 I915 | F835-Y911 HydrophobicContact CB-CD1 3.89Å; F835-Y911 HydrophobicContact CB-CE1 3.84Å; F835-Y911 HydrophobicContact CD2-CD1 4.3Å; H907-Y911 AromaticContact CD2-CD2 3.53Å; H907-Y911 AromaticContact CD2-CE2 3.5Å; H907-Y911 AromaticContact CE1-CE2 3.88Å; H907-Y911 AromaticContact NE2-CD2 3.81Å; H907-Y911 AromaticContact NE2-CE2 3.27Å; H907-Y911 VanDerWaalsContact NE2-CE2 3.27Å; H907-Y911 WeakPolarHBondContact NE2-CE2 3.45Å; H907-Y911 VanDerWaalsContact O-CD2 3.32Å; H907-Y911 WeakPolarHBondContact O-CD2 3.46Å; H907-Y911 PolarHBondContact O-N 2.84Å; Y911-R913 VanDerWaalsContact C-N 3.35Å; Y911-R913 PolarHBondContact O-N 3.12Å; Y911-S914 PolarHBondContact O-N 2.89Å; Y911-I915 WeakPolarHBondContact O-CB 3.47Å; Y911-I915 PolarHBondContact O-N 3.47Å |
| 912 | L | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175.6 | -175.8 | 59.5 | 0 | 0 | 0 | 111.3 | I847 L850 T851 L854 C908 F909 M916 L971 L975 L988 | I847-L912 HydrophobicContact CB-CD1 4.42Å; I847-L912 HydrophobicContact CG1-CD1 4.34Å; I847-L912 HydrophobicContact CG2-CD1 4.09Å; L850-L912 HydrophobicContact CB-CB 4.3Å; L850-L912 HydrophobicContact CB-CD1 4.26Å; L850-L912 HydrophobicContact CD1-CB 4.42Å; T851-L912 HydrophobicContact CG2-CD1 4.33Å; T851-L912 HydrophobicContact CG2-CD2 3.91Å; L854-L912 HydrophobicContact CD2-CD2 4.06Å; C908-L912 WeakPolarHBondContact O-CB 3.1Å; C908-L912 PolarHBondContact O-N 3.47Å; F909-L912 PolarHBondContact O-N 3.06Å; L912-M916 HydrophobicContact CD1-CG 4.5Å; L912-M916 WeakPolarHBondContact O-CB 3.29Å; L912-M916 VanDerWaalsContact O-CG 3.24Å; L912-M916 WeakPolarHBondContact O-CG 3.21Å; L912-M916 PolarHBondContact O-N 2.86Å; L912-L971 HydrophobicContact CD1-CD1 3.9Å; L912-L971 HydrophobicContact CD2-CD1 4.31Å; L912-L971 HydrophobicContact CG-CD1 4.32Å; L912-L975 HydrophobicContact CD2-CD2 4.16Å; L912-L988 HydrophobicContact CD2-CD2 3.62Å; L912-L988 HydrophobicContact CG-CD2 3.99Å |
| 913 | R | 90.9 | Very high | 88.2 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 17% | 0.17 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 171.3 | -177.7 | -168.8 | 77.5 | 128 | 6 | 112.1 | F909 Y910 Y911 M916 Y917 L988 E1151 | F909-R913 VanDerWaalsContact O-CB 3.29Å; F909-R913 WeakPolarHBondContact O-CB 3.39Å; F909-R913 PolarHBondContact O-N 2.91Å; Y910-R913 WeakPolarHBondContact O-CB 3.37Å; Y910-R913 PolarHBondContact O-N 3.3Å; Y911-R913 VanDerWaalsContact C-N 3.35Å; Y911-R913 PolarHBondContact O-N 3.12Å; R913-M916 PolarHBondContact O-N 2.75Å; R913-Y917 VanDerWaalsContact O-CB 3.31Å; R913-Y917 WeakPolarHBondContact O-CB 3.3Å; R913-Y917 PolarHBondContact O-N 2.86Å; R913-L988 HydrophobicContact CB-CD1 4Å; R913-E1151 IonicContact CZ-OE1 3.14Å; R913-E1151 IonicContact NH1-OE1 2.74Å; R913-E1151 PolarHBondContact NH1-OE1 3.5Å; R913-E1151 IonicContact NH2-OE1 2.71Å; R913-E1151 PolarHBondContact NH2-OE1 3.26Å |
| 914 | S | 88 | Confident | 88 | Confident | 40 Ų | 40 | 33.1 Ų | 33.1 | 28% | 0.28 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.4 | -42.2 | -179 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | Y910 Y911 Y917 S918 | Y910-S914 WeakPolarHBondContact O-CB 3.34Å; Y910-S914 PolarHBondContact O-N 3.21Å; Y911-S914 PolarHBondContact O-N 2.89Å; S914-Y917 WeakPolarHBondContact O-CB 3.33Å; S914-Y917 PolarHBondContact O-N 3.27Å; S914-S918 PolarHBondContact O-N 2.9Å; S914-S918 PolarHBondContact O-OG 3.23Å |
| 915 | I | 86.3 | Confident | 87.6 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 174.9 | -79.7 | 154.3 | 0 | 0 | 0 | 111.1 | F835 P843 L846 I847 L850 Y911 Y917 S918 I919 | F835-I915 HydrophobicContact CD2-CD1 4.29Å; F835-I915 HydrophobicContact CE2-CD1 4.49Å; P843-I915 HydrophobicContact CB-CG2 4.26Å; P843-I915 WeakPolarHBondContact O-CG2 3.47Å; L846-I915 HydrophobicContact CB-CD1 3.78Å; L846-I915 HydrophobicContact CD1-CD1 3.97Å; I847-I915 HydrophobicContact CG1-CG2 3.91Å; L850-I915 HydrophobicContact CD1-CD1 3.39Å; Y911-I915 WeakPolarHBondContact O-CB 3.47Å; Y911-I915 PolarHBondContact O-N 3.47Å; I915-Y917 PolarHBondContact O-N 3.17Å; I915-S918 PolarHBondContact O-N 3.05Å; I915-I919 HydrophobicContact CG2-CD1 3.73Å; I915-I919 WeakPolarHBondContact O-CB 3.4Å; I915-I919 VanDerWaalsContact O-CG1 3.31Å; I915-I919 WeakPolarHBondContact O-CG1 3.47Å; I915-I919 PolarHBondContact O-N 3.03Å |
| 916 | M | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 175.5 | -72.6 | -60.6 | -46.7 | 0 | 0 | 112.4 | I847 L912 R913 I919 L920 L971 L992 | I847-M916 HydrophobicContact CD1-SD 3.58Å; I847-M916 VanDerWaalsContact CD1-SD 3.58Å; I847-M916 HydrophobicContact CG1-SD 4.3Å; L912-M916 HydrophobicContact CD1-CG 4.5Å; L912-M916 WeakPolarHBondContact O-CB 3.29Å; L912-M916 VanDerWaalsContact O-CG 3.24Å; L912-M916 WeakPolarHBondContact O-CG 3.21Å; L912-M916 PolarHBondContact O-N 2.86Å; R913-M916 PolarHBondContact O-N 2.75Å; M916-I919 PolarHBondContact O-N 3.27Å; M916-L920 HydrophobicContact CE-CD1 4.25Å; M916-L920 HydrophobicContact CE-CG 4.38Å; M916-L920 VanDerWaalsContact O-CB 3.29Å; M916-L920 WeakPolarHBondContact O-CB 3.42Å; M916-L920 WeakPolarHBondContact O-CD1 3.02Å; M916-L920 WeakPolarHBondContact O-CG 3.21Å; M916-L920 PolarHBondContact O-N 2.95Å; M916-L971 HydrophobicContact CE-CB 4.3Å; M916-L971 HydrophobicContact CE-CD2 3.95Å; M916-L971 HydrophobicContact CG-CD1 4.29Å; M916-L971 HydrophobicContact CG-CD2 3.79Å; M916-L971 HydrophobicContact SD-CB 4.18Å; M916-L971 HydrophobicContact SD-CD1 4.19Å; M916-L971 HydrophobicContact SD-CD2 3.9Å; M916-L971 HydrophobicContact SD-CG 4.31Å; M916-L992 HydrophobicContact CB-CD1 4.25Å; M916-L992 HydrophobicContact CB-CD2 3.83Å |
| 917 | Y | 86.3 | Confident | 86.3 | Confident | 89 Ų | 89 | 32.3 Ų | 32.3 | 35% | 0.349 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.6 | -52.6 | 168.6 | 172.6 | -83.9 | 0 | 0 | 0 | 110.6 | R913 S914 I915 I919 L920 Q921 L995 | R913-Y917 VanDerWaalsContact O-CB 3.31Å; R913-Y917 WeakPolarHBondContact O-CB 3.3Å; R913-Y917 PolarHBondContact O-N 2.86Å; S914-Y917 WeakPolarHBondContact O-CB 3.33Å; S914-Y917 PolarHBondContact O-N 3.27Å; I915-Y917 PolarHBondContact O-N 3.17Å; Y917-I919 VanDerWaalsContact C-N 3.32Å; Y917-I919 PolarHBondContact O-N 2.84Å; Y917-L920 PolarHBondContact O-N 3.23Å; Y917-Q921 HydrophobicContact CD1-CG 3.8Å; Y917-Q921 HydrophobicContact CD2-CG 4.35Å; Y917-Q921 HydrophobicContact CE1-CG 3.37Å; Y917-Q921 HydrophobicContact CE2-CG 3.99Å; Y917-Q921 VanDerWaalsContact CE2-NE2 3.29Å; Y917-Q921 HydrophobicContact CG-CG 4.24Å; Y917-Q921 VanDerWaalsContact CZ-CD 3.44Å; Y917-Q921 VanDerWaalsContact CZ-CG 3.46Å; Y917-Q921 WeakPolarHBondContact O-CG 3.46Å; Y917-Q921 PolarHBondContact O-N 2.88Å; Y917-L995 HydrophobicContact CD2-CD1 3.57Å; Y917-L995 HydrophobicContact CD2-CD2 3.49Å; Y917-L995 VanDerWaalsContact CD2-CD2 3.49Å; Y917-L995 HydrophobicContact CD2-CG 4.16Å; Y917-L995 HydrophobicContact CE2-CD1 3.53Å; Y917-L995 HydrophobicContact CE2-CD2 4.24Å; Y917-L995 HydrophobicContact CG-CD2 4.31Å |
| 918 | S | 84.2 | Confident | 85.6 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 41% | 0.413 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.1 | -33.5 | -179.1 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | S914 I915 P922 | S914-S918 PolarHBondContact O-N 2.9Å; S914-S918 PolarHBondContact O-OG 3.23Å; I915-S918 PolarHBondContact O-N 3.05Å; S918-P922 WeakPolarHBondContact O-CD 3.34Å |
| 919 | I | 84.6 | Confident | 84.9 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.3 | -40.2 | 174.4 | -70.9 | 165.4 | 0 | 0 | 0 | 111.1 | P843 I847 I915 M916 Y917 N967 | P843-I919 HydrophobicContact CB-CD1 4.21Å; P843-I919 HydrophobicContact CB-CG1 4.1Å; P843-I919 HydrophobicContact CG-CD1 4.38Å; P843-I919 HydrophobicContact CG-CG1 3.87Å; I847-I919 HydrophobicContact CD1-CD1 3.74Å; I847-I919 HydrophobicContact CG1-CD1 4.45Å; I915-I919 HydrophobicContact CG2-CD1 3.73Å; I915-I919 WeakPolarHBondContact O-CB 3.4Å; I915-I919 VanDerWaalsContact O-CG1 3.31Å; I915-I919 WeakPolarHBondContact O-CG1 3.47Å; I915-I919 PolarHBondContact O-N 3.03Å; M916-I919 PolarHBondContact O-N 3.27Å; Y917-I919 VanDerWaalsContact C-N 3.32Å; Y917-I919 PolarHBondContact O-N 2.84Å; I919-N967 VanDerWaalsContact CG2-OD1 3.3Å; I919-N967 WeakPolarHBondContact CG2-OD1 3.25Å |
| 920 | L | 86.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -78.9 | -34 | -177.1 | -70.6 | 167.8 | 0 | 0 | 0 | 113.4 | M916 Y917 W923 L924 I964 F968 L992 | M916-L920 HydrophobicContact CE-CD1 4.25Å; M916-L920 HydrophobicContact CE-CG 4.38Å; M916-L920 VanDerWaalsContact O-CB 3.29Å; M916-L920 WeakPolarHBondContact O-CB 3.42Å; M916-L920 WeakPolarHBondContact O-CD1 3.02Å; M916-L920 WeakPolarHBondContact O-CG 3.21Å; M916-L920 PolarHBondContact O-N 2.95Å; Y917-L920 PolarHBondContact O-N 3.23Å; L920-W923 WeakPolarHBondContact O-CA 3.24Å; L920-W923 PolarHBondContact O-N 2.96Å; L920-L924 WeakPolarHBondContact O-CG 3.32Å; L920-L924 PolarHBondContact O-N 3.12Å; L920-I964 HydrophobicContact CD2-CB 4.48Å; L920-I964 HydrophobicContact CD2-CG1 4.27Å; L920-I964 HydrophobicContact CD2-CG2 4.07Å; L920-F968 HydrophobicContact CD1-CE1 3.71Å; L920-F968 HydrophobicContact CD1-CZ 4.28Å; L920-F968 HydrophobicContact CD2-CE1 4.5Å; L920-L992 HydrophobicContact CD1-CD2 4.23Å |
| 921 | Q | 83.9 | Confident | 82.6 | Confident | 58 Ų | 58 | 35.5 Ų | 35.5 | 27% | 0.271 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -46.9 | -175.6 | -84.7 | -59.6 | -64.2 | 0 | 0 | 114.1 | Y917 W923 | Y917-Q921 HydrophobicContact CD1-CG 3.8Å; Y917-Q921 HydrophobicContact CD2-CG 4.35Å; Y917-Q921 HydrophobicContact CE1-CG 3.37Å; Y917-Q921 HydrophobicContact CE2-CG 3.99Å; Y917-Q921 VanDerWaalsContact CE2-NE2 3.29Å; Y917-Q921 HydrophobicContact CG-CG 4.24Å; Y917-Q921 VanDerWaalsContact CZ-CD 3.44Å; Y917-Q921 VanDerWaalsContact CZ-CG 3.46Å; Y917-Q921 WeakPolarHBondContact O-CG 3.46Å; Y917-Q921 PolarHBondContact O-N 2.88Å; Q921-W923 VanDerWaalsContact C-N 3.25Å; Q921-W923 PolarHBondContact O-N 2.72Å |
| 922 | P | 79 | Confident | 81.5 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.8 | 176.1 | -25 | 35.4 | 0 | 0 | 0 | 114.2 | S918 P925 M959 | S918-P922 WeakPolarHBondContact O-CD 3.34Å; P922-P925 WeakPolarHBondContact O-CD 3.47Å; P922-M959 WeakPolarHBondContact O-CE 3.13Å |
| 923 | W | 79.9 | Confident | 79.9 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 11% | 0.114 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -21.4 | -175.2 | -53.9 | 106 | 0 | 0 | 0 | 113.9 | L920 Q921 P925 C926 T951 M959 I963 I964 | L920-W923 WeakPolarHBondContact O-CA 3.24Å; L920-W923 PolarHBondContact O-N 2.96Å; Q921-W923 VanDerWaalsContact C-N 3.25Å; Q921-W923 PolarHBondContact O-N 2.72Å; W923-P925 VanDerWaalsContact C-N 3.26Å; W923-P925 VanDerWaalsContact O-N 3.1Å; W923-C926 VanDerWaalsContact O-CB 3.29Å; W923-C926 WeakPolarHBondContact O-CB 3.19Å; W923-C926 PolarHBondContact O-N 2.84Å; W923-C926 PolarHBondContact O-SG 2.78Å; W923-T951 HydrophobicContact CZ2-CG2 4.01Å; W923-M959 HydrophobicContact CD2-CE 4.35Å; W923-M959 HydrophobicContact CE3-CE 3.62Å; W923-M959 HydrophobicContact CE3-CG 4.33Å; W923-M959 HydrophobicContact CE3-SD 4.04Å; W923-M959 HydrophobicContact CZ3-CE 3.99Å; W923-M959 HydrophobicContact CZ3-SD 3.99Å; W923-I963 HydrophobicContact CD2-CB 4.42Å; W923-I963 HydrophobicContact CD2-CD1 4.49Å; W923-I963 HydrophobicContact CD2-CG2 3.7Å; W923-I963 HydrophobicContact CE3-CB 4.37Å; W923-I963 HydrophobicContact CE3-CD1 3.77Å; W923-I963 HydrophobicContact CE3-CG2 4.04Å; W923-I963 HydrophobicContact CG-CG2 4.08Å; W923-I963 HydrophobicContact CH2-CD1 3.84Å; W923-I963 HydrophobicContact CH2-CG2 4.48Å; W923-I963 HydrophobicContact CZ2-CG2 4.15Å; W923-I963 HydrophobicContact CZ3-CD1 3.41Å; W923-I963 VanDerWaalsContact CZ3-CD1 3.41Å; W923-I963 HydrophobicContact CZ3-CG2 4.42Å; W923-I964 HydrophobicContact CB-CD1 4.17Å; W923-I964 HydrophobicContact CB-CG1 3.84Å |
| 924 | L | 86.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -49.7 | -35.3 | 179.2 | -65.1 | -178.1 | 0 | 0 | 0 | 115.1 | L920 C926 L927 I964 I996 Y999 | L920-L924 WeakPolarHBondContact O-CG 3.32Å; L920-L924 PolarHBondContact O-N 3.12Å; L924-C926 PolarHBondContact O-N 3.07Å; L924-C926 VanDerWaalsContact O-N 3.13Å; L924-L927 HydrophobicContact CD2-CD1 4.08Å; L924-L927 VanDerWaalsContact O-CB 3.32Å; L924-L927 WeakPolarHBondContact O-CB 3.49Å; L924-L927 PolarHBondContact O-N 2.81Å; L924-I964 HydrophobicContact CD2-CD1 4.47Å; L924-I996 HydrophobicContact CD2-CG1 3.84Å; L924-Y999 HydrophobicContact CB-CD1 3.71Å; L924-Y999 HydrophobicContact CB-CD2 4.35Å; L924-Y999 HydrophobicContact CB-CE1 3.52Å; L924-Y999 HydrophobicContact CB-CE2 4.2Å; L924-Y999 HydrophobicContact CB-CG 4.13Å; L924-Y999 HydrophobicContact CD1-CD1 4.05Å; L924-Y999 HydrophobicContact CD1-CD2 3.81Å; L924-Y999 HydrophobicContact CD1-CE2 4.34Å; L924-Y999 HydrophobicContact CD1-CG 3.65Å; L924-Y999 HydrophobicContact CG-CD1 4.37Å; L924-Y999 HydrophobicContact CG-CG 4.44Å |
| 925 | P | 82.5 | Confident | 77 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -58.1 | -19.2 | 172.4 | -26.7 | 35.4 | 0 | 0 | 0 | 115.7 | P922 W923 L927 T928 Y929 | P922-P925 WeakPolarHBondContact O-CD 3.47Å; W923-P925 VanDerWaalsContact C-N 3.26Å; W923-P925 VanDerWaalsContact O-N 3.1Å; P925-L927 PolarHBondContact O-N 3.04Å; P925-T928 CarbonylContact O-C 3.56Å; P925-T928 PolarHBondContact O-N 2.77Å; P925-T928 VanDerWaalsContact O-N 3.14Å; P925-T928 PolarHBondContact O-OG1 2.93Å; P925-T928 VanDerWaalsContact O-OG1 3.13Å; P925-Y929 PolarHBondContact O-N 2.93Å |
| 926 | C | 76.4 | Confident | 75.4 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.02 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -64.9 | -32.4 | 174.1 | 83.8 | 0 | 0 | 0 | 0 | 111.6 | W923 L924 T928 M959 I964 R1034 | W923-C926 VanDerWaalsContact O-CB 3.29Å; W923-C926 WeakPolarHBondContact O-CB 3.19Å; W923-C926 PolarHBondContact O-N 2.84Å; W923-C926 PolarHBondContact O-SG 2.78Å; L924-C926 PolarHBondContact O-N 3.07Å; L924-C926 VanDerWaalsContact O-N 3.13Å; C926-T928 PolarHBondContact O-N 2.81Å; C926-M959 HydrophobicContact CB-CB 4.04Å; C926-M959 HydrophobicContact CB-CG 3.62Å; C926-M959 WeakPolarHBondContact CB-O 3.4Å; C926-I964 VanDerWaalsContact SG-CD1 3.51Å; C926-R1034 PolarHBondContact O-NH1 2.76Å |
| 927 | L | 80.8 | Confident | 73.6 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -65.7 | -25.3 | 176.8 | -54.8 | 179.1 | 0 | 0 | 0 | 111.1 | L924 P925 M961 I964 I996 I1000 R1034 I1038 | L924-L927 HydrophobicContact CD2-CD1 4.08Å; L924-L927 VanDerWaalsContact O-CB 3.32Å; L924-L927 WeakPolarHBondContact O-CB 3.49Å; L924-L927 PolarHBondContact O-N 2.81Å; P925-L927 PolarHBondContact O-N 3.04Å; L927-M961 HydrophobicContact CD2-CE 3.61Å; L927-M961 HydrophobicContact CD2-CG 4.38Å; L927-I964 HydrophobicContact CD1-CD1 4Å; L927-I964 HydrophobicContact CD2-CD1 3.86Å; L927-I964 HydrophobicContact CG-CD1 3.81Å; L927-I996 HydrophobicContact CD1-CG2 3.74Å; L927-I1000 HydrophobicContact CB-CD1 4.38Å; L927-I1000 HydrophobicContact CD1-CD1 4.13Å; L927-R1034 VanDerWaalsContact O-CD 3.23Å; L927-R1034 WeakPolarHBondContact O-CD 3.39Å; L927-R1034 PolarHBondContact O-NH1 2.92Å; L927-I1038 HydrophobicContact CD1-CD1 4.47Å; L927-I1038 HydrophobicContact CD2-CD1 4.07Å |
| 928 | T | 76 | Confident | 71.8 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -113.8 | 8.1 | -171 | 74.8 | 0 | 0 | 0 | 0 | 112.8 | P925 C926 Y999 V1004 W1022 | P925-T928 CarbonylContact O-C 3.56Å; P925-T928 PolarHBondContact O-N 2.77Å; P925-T928 VanDerWaalsContact O-N 3.14Å; P925-T928 PolarHBondContact O-OG1 2.93Å; P925-T928 VanDerWaalsContact O-OG1 3.13Å; C926-T928 PolarHBondContact O-N 2.81Å; T928-Y999 HydrophobicContact CG2-CD1 4.41Å; T928-Y999 HydrophobicContact CG2-CE1 3.71Å; T928-V1004 HydrophobicContact CG2-CG2 3.24Å; T928-W1022 VanDerWaalsContact O-CZ2 3.25Å; T928-W1022 WeakPolarHBondContact O-CZ2 3.28Å; T928-W1022 PolarHBondContact O-NE1 2.87Å |
| 929 | Y | 76.7 | Confident | 70.2 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | trans | -69.9 | 125.5 | 178.8 | 176.6 | -104.3 | 0 | 0 | 0 | 111 | P925 G931 L933 W1022 R1034 | P925-Y929 PolarHBondContact O-N 2.93Å; Y929-G931 VanDerWaalsContact C-N 3.31Å; Y929-G931 VanDerWaalsContact CE1-CA 3.47Å; Y929-G931 PolarHBondContact O-N 2.66Å; Y929-L933 HydrophobicContact CE1-CD1 4.03Å; Y929-W1022 WeakPolarHBondContact O-CZ2 3.47Å; Y929-R1034 VanDerWaalsContact O-CZ 3.29Å; Y929-R1034 PolarHBondContact O-NH1 2.73Å; Y929-R1034 PolarHBondContact O-NH2 2.71Å | ||
| 930 | P | 67.2 | Low | 68.4 | Low | 70 Ų | 70 | 59.9 Ų | 59.9 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | trans | -71 | -18.9 | -168.4 | 25.9 | -35 | 0 | 0 | 0 | 115.3 | L1021 R1030 | P930-L1021 HydrophobicContact CB-CD2 3.55Å; P930-L1021 WeakPolarHBondContact O-CD2 3.4Å; P930-R1030 PolarHBondContact O-NH1 2.86Å | ||
| 931 | G | 69.2 | Low | 66.8 | Low | 21 Ų | 21 | 63.1 Ų | 63.1 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -80.3 | 159.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y929 L933 R1034 | Y929-G931 VanDerWaalsContact C-N 3.31Å; Y929-G931 VanDerWaalsContact CE1-CA 3.47Å; Y929-G931 PolarHBondContact O-N 2.66Å; G931-L933 VanDerWaalsContact C-N 3.34Å; G931-L933 PolarHBondContact O-N 3.47Å; G931-R1034 PolarHBondContact O-NH2 3.06Å; G931-R1034 VanDerWaalsContact O-NH2 3.08Å |
| 932 | D | 66.1 | Low | 65.4 | Low | 63 Ų | 63 | 64 Ų | 64 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | trans | -85.4 | 20.1 | -170 | -102.7 | -27.4 | 0 | 0 | 0 | 115.5 | D934 L935 R1030 | D932-D934 PolarHBondContact O-N 2.72Å; D932-L935 HydrophobicContact CB-CD1 4.14Å; D932-L935 WeakPolarHBondContact O-CB 3.26Å; D932-L935 PolarHBondContact O-N 2.74Å; D932-R1030 VanDerWaalsContact CG-NH2 3.33Å; D932-R1030 IonicContact OD1-CZ 3.19Å; D932-R1030 IonicContact OD1-NE 2.72Å; D932-R1030 PolarHBondContact OD1-NE 3.09Å; D932-R1030 IonicContact OD1-NH2 3.78Å; D932-R1030 IonicContact OD2-CZ 2.72Å; D932-R1030 IonicContact OD2-NE 3.78Å; D932-R1030 PolarHBondContact OD2-NE 3.26Å; D932-R1030 IonicContact OD2-NH2 2.74Å; D932-R1030 PolarHBondContact OD2-NH2 3.42Å | ||
| 933 | L | 59.2 | Low | 64.3 | Low | 80 Ų | 80 | 63 Ų | 63 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.5 | -172.8 | -99.3 | 80.7 | 0 | 0 | 0 | 114.4 | Y929 G931 L935 Q936 P958 | Y929-L933 HydrophobicContact CE1-CD1 4.03Å; G931-L933 VanDerWaalsContact C-N 3.34Å; G931-L933 PolarHBondContact O-N 3.47Å; L933-L935 PolarHBondContact O-N 3.19Å; L933-L935 VanDerWaalsContact O-N 3.13Å; L933-Q936 WeakPolarHBondContact O-CB 3.17Å; L933-Q936 PolarHBondContact O-N 3.16Å; L933-P958 HydrophobicContact CD2-CB 3.73Å; L933-P958 HydrophobicContact CD2-CG 3.84Å |
| 934 | D | 61.4 | Low | 63.4 | Low | 24 Ų | 24 | 67.9 Ų | 67.9 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.8 | -26.3 | 175.2 | -62 | -96.5 | 0 | 0 | 0 | 114 | D932 Q936 D937 D938 R1034 R1037 | D932-D934 PolarHBondContact O-N 2.72Å; D934-Q936 PolarHBondContact O-N 3.15Å; D934-D937 PolarHBondContact O-N 3.19Å; D934-D937 VanDerWaalsContact O-N 3.16Å; D934-D938 PolarHBondContact O-N 2.83Å; D934-R1034 IonicContact OD1-NE 3.76Å; D934-R1034 IonicContact OD2-CZ 3.07Å; D934-R1034 IonicContact OD2-NE 3.19Å; D934-R1034 PolarHBondContact OD2-NE 2.93Å; D934-R1034 IonicContact OD2-NH2 3.85Å; D934-R1034 PolarHBondContact OD2-NH2 3.26Å; D934-R1037 IonicContact OD1-CZ 3.23Å; D934-R1037 IonicContact OD1-NH1 3.24Å; D934-R1037 PolarHBondContact OD1-NH1 3.33Å |
| 935 | L | 55.7 | Low | 61.9 | Low | 94 Ų | 94 | 70.4 Ų | 70.4 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.8 | -21.1 | 176.2 | -77.1 | 170 | 0 | 0 | 0 | 113.4 | D932 L933 | D932-L935 HydrophobicContact CB-CD1 4.14Å; D932-L935 WeakPolarHBondContact O-CB 3.26Å; D932-L935 PolarHBondContact O-N 2.74Å; L933-L935 PolarHBondContact O-N 3.19Å; L933-L935 VanDerWaalsContact O-N 3.13Å |
| 936 | Q | 51.8 | Low | 60.7 | Low | 165 Ų | 165 | 69.1 Ų | 69.1 | 77% | 0.771 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -85 | -32.9 | 172.5 | -126.5 | 72.6 | 38.1 | 0 | 0 | 111.8 | L933 D934 | L933-Q936 WeakPolarHBondContact O-CB 3.17Å; L933-Q936 PolarHBondContact O-N 3.16Å; D934-Q936 PolarHBondContact O-N 3.15Å |
| 937 | D | 51.6 | Low | 59.5 | Low | 42 Ų | 42 | 73.2 Ų | 73.2 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.5 | -29.1 | -177.6 | -87.1 | 12.1 | 0 | 0 | 0 | 113.7 | D934 V939 L940 S960 R1037 | D934-D937 PolarHBondContact O-N 3.19Å; D934-D937 VanDerWaalsContact O-N 3.16Å; D937-V939 PolarHBondContact O-N 2.9Å; D937-L940 PolarHBondContact O-N 2.88Å; D937-S960 PolarHBondContact OD2-OG 2.89Å; D937-R1037 IonicContact OD2-CZ 3.18Å; D937-R1037 IonicContact OD2-NH1 3.81Å; D937-R1037 PolarHBondContact OD2-NH1 2.9Å; D937-R1037 IonicContact OD2-NH2 3.84Å; D937-R1037 PolarHBondContact OD2-NH2 3Å |
| 938 | D | 49.6 | Very low | 58 | Low | 87 Ų | 87 | 74.1 Ų | 74.1 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -14.2 | -171.6 | -94.5 | -21.4 | 0 | 0 | 0 | 114.3 | D934 | D934-D938 PolarHBondContact O-N 2.83Š|
| 939 | V | 49.3 | Very low | 56.6 | Low | 125 Ų | 125 | 75.9 Ų | 75.9 | 76% | 0.758 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -24.5 | 177.7 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | D937 | D937-V939 PolarHBondContact O-N 2.9Š|
| 940 | L | 48.2 | Very low | 55.3 | Low | 141 Ų | 141 | 77 Ų | 77 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | trans | -132.9 | 70.6 | -171.2 | -73.8 | 173.3 | 0 | 0 | 0 | 113 | D937 D942 | D937-L940 PolarHBondContact O-N 2.88Å; L940-D942 PolarHBondContact O-N 2.98Å | ||
| 941 | L | 52.4 | Low | 54.5 | Low | 68 Ų | 68 | 74.7 Ų | 74.7 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | trans | -72.5 | 67.6 | 163.7 | -75.8 | 169.7 | 0 | 0 | 0 | 111.4 | D943 L965 | L941-D943 PolarHBondContact O-N 2.8Å; L941-L965 HydrophobicContact CD2-CD1 4.26Å | ||
| 942 | D | 53.9 | Low | 53.4 | Low | 78 Ų | 78 | 78.4 Ų | 78.4 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | trans | -75 | 91.1 | 172.2 | -160.1 | -6.7 | 0 | 0 | 0 | 109.8 | L940 K944 Q962 | L940-D942 PolarHBondContact O-N 2.98Å; D942-K944 PolarHBondContact O-N 3.16Å; D942-K944 VanDerWaalsContact O-N 3.09Å; D942-K944 WeakPolarHBondContact OD1-CD 3.05Å; D942-K944 WeakPolarHBondContact OD1-CE 3.31Å; D942-K944 WeakPolarHBondContact OD1-CG 3.49Å; D942-K944 IonicContact OD1-NZ 3.62Å; D942-K944 PolarHBondContact OD1-NZ 3.37Å; D942-K944 WeakPolarHBondContact OD2-CD 3.24Å; D942-K944 WeakPolarHBondContact OD2-CE 2.92Å; D942-K944 IonicContact OD2-NZ 2.76Å; D942-K944 PolarHBondContact OD2-NZ 3.04Å; D942-Q962 PolarHBondContact O-NE2 3.47Å | ||
| 943 | D | 55.2 | Low | 52.5 | Low | 43 Ų | 43 | 82.4 Ų | 82.4 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | trans | -67.5 | 1.4 | -177.2 | -91.7 | -8.4 | 0 | 0 | 0 | 113.7 | L941 T969 R1044 | L941-D943 PolarHBondContact O-N 2.8Å; D943-T969 WeakPolarHBondContact O-CG2 3.34Å; D943-R1044 IonicContact OD1-CZ 2.76Å; D943-R1044 IonicContact OD1-NH2 2.81Å; D943-R1044 PolarHBondContact OD1-NH2 3.06Å; D943-R1044 IonicContact OD2-CZ 3.58Å; D943-R1044 IonicContact OD2-NE 2.81Å; D943-R1044 PolarHBondContact OD2-NE 3.44Å; D943-R1044 IonicContact OD2-NH2 3.68Å; D943-R1044 PolarHBondContact OD2-NH2 3.35Å | ||
| 944 | K | 62.7 | Low | 51.7 | Low | 132 Ų | 132 | 84.7 Ų | 84.7 | 57% | 0.574 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 139.7 | 177.4 | -75 | 167.6 | -157.5 | 148.9 | 0 | 111.5 | D942 Q966 | D942-K944 PolarHBondContact O-N 3.16Å; D942-K944 VanDerWaalsContact O-N 3.09Å; D942-K944 WeakPolarHBondContact OD1-CD 3.05Å; D942-K944 WeakPolarHBondContact OD1-CE 3.31Å; D942-K944 WeakPolarHBondContact OD1-CG 3.49Å; D942-K944 IonicContact OD1-NZ 3.62Å; D942-K944 PolarHBondContact OD1-NZ 3.37Å; D942-K944 WeakPolarHBondContact OD2-CD 3.24Å; D942-K944 WeakPolarHBondContact OD2-CE 2.92Å; D942-K944 IonicContact OD2-NZ 2.76Å; D942-K944 PolarHBondContact OD2-NZ 3.04Å; K944-Q966 VanDerWaalsContact O-CG 3.26Å; K944-Q966 WeakPolarHBondContact O-CG 3.47Å; K944-Q966 PolarHBondContact O-NE2 3.44Å |
| 945 | P | 53.9 | Low | 50.8 | Low | 53 Ų | 53 | 90 Ų | 90 | 34% | 0.344 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 148.7 | 174.6 | 31.2 | -35.5 | 0 | 0 | 0 | 111.3 | ||
| 946 | I | 57 | Low | 50.2 | Low | 29 Ų | 29 | 95.3 Ų | 95.3 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.4 | 166.2 | -110.1 | 157.5 | 0 | 0 | 0 | 108.1 | P948 T951 I963 Q966 | I946-P948 WeakPolarHBondContact O-CD 3.03Å; I946-T951 HydrophobicContact CD1-CG2 3.91Å; I946-T951 VanDerWaalsContact CG2-OG1 3.24Å; I946-T951 WeakPolarHBondContact CG2-OG1 3.45Å; I946-I963 HydrophobicContact CD1-CG2 4.38Å; I946-Q966 HydrophobicContact CB-CG 3.9Å; I946-Q966 HydrophobicContact CD1-CG 4.08Å; I946-Q966 VanDerWaalsContact CG1-CD 3.45Å; I946-Q966 HydrophobicContact CG1-CG 4.02Å; I946-Q966 VanDerWaalsContact N-CG 3.31Å |
| 947 | D | 52.2 | Low | 49.9 | Very low | 88 Ų | 88 | 93.3 Ų | 93.3 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 118.4 | 157.1 | 179.6 | 33.9 | 0 | 0 | 0 | 108.1 | S949 E950 | D947-S949 PolarHBondContact O-N 2.79Å; D947-S949 VanDerWaalsContact OD2-CB 3.31Å; D947-S949 WeakPolarHBondContact OD2-CB 2.96Å; D947-S949 PolarHBondContact OD2-OG 3.12Å; D947-E950 PolarHBondContact O-N 2.85Å; D947-E950 VanDerWaalsContact O-N 3.07Å |
| 948 | P | 48.3 | Very low | 49.6 | Very low | 21 Ų | 21 | 95.7 Ų | 95.7 | 14% | 0.136 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 0.7 | -174.8 | 20.5 | -33.9 | 0 | 0 | 0 | 116.4 | S844 I946 | S844-P948 WeakPolarHBondContact OG-CB 3.47Å; I946-P948 WeakPolarHBondContact O-CD 3.03Å |
| 949 | S | 46.4 | Very low | 49.9 | Very low | 62 Ų | 62 | 95.3 Ų | 95.3 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -40.9 | 168.5 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | D947 T951 | D947-S949 PolarHBondContact O-N 2.79Å; D947-S949 VanDerWaalsContact OD2-CB 3.31Å; D947-S949 WeakPolarHBondContact OD2-CB 2.96Å; D947-S949 PolarHBondContact OD2-OG 3.12Å; S949-T951 PolarHBondContact O-N 3.08Å |
| 950 | E | 50 | Low | 50.8 | Low | 131 Ų | 131 | 90.8 Ų | 90.8 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -76 | -28.8 | -168.4 | -64 | -163.6 | 125.3 | 0 | 0 | 113.3 | D947 W952 | D947-E950 PolarHBondContact O-N 2.85Å; D947-E950 VanDerWaalsContact O-N 3.07Å; E950-W952 VanDerWaalsContact C-N 3.29Å; E950-W952 PolarHBondContact O-N 3.31Å |
| 951 | T | 49.9 | Very low | 52.1 | Low | 21 Ų | 21 | 84.3 Ų | 84.3 | 13% | 0.129 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -68.5 | -24.2 | -161.4 | -22.6 | 0 | 0 | 0 | 0 | 114.4 | W923 I946 S949 I963 | W923-T951 HydrophobicContact CZ2-CG2 4.01Å; I946-T951 HydrophobicContact CD1-CG2 3.91Å; I946-T951 VanDerWaalsContact CG2-OG1 3.24Å; I946-T951 WeakPolarHBondContact CG2-OG1 3.45Å; S949-T951 PolarHBondContact O-N 3.08Å; T951-I963 HydrophobicContact CG2-CG2 4.31Å |
| 952 | W | 47.2 | Very low | 53.3 | Low | 100 Ų | 100 | 82.1 Ų | 82.1 | 38% | 0.379 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -94.2 | -14.7 | -168.2 | -64.7 | 89.2 | 0 | 0 | 0 | 113.9 | P843 E950 H955 | P843-W952 HydrophobicContact CG-CH2 3.94Å; P843-W952 HydrophobicContact CG-CZ2 3.77Å; E950-W952 VanDerWaalsContact C-N 3.29Å; E950-W952 PolarHBondContact O-N 3.31Å; W952-H955 PolarHBondContact O-CD2 2.85Å |
| 953 | N | 46.3 | Very low | 54.5 | Low | 147 Ų | 147 | 80 Ų | 80 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -18.2 | -174.7 | -71.8 | -40.5 | 0 | 0 | 0 | 114.1 | H955 | N953-H955 PolarHBondContact O-N 3Š|
| 954 | K | 42.8 | Very low | 56 | Low | 128 Ų | 128 | 78 Ų | 78 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | trans | -93.2 | 45.3 | -176 | -78 | -165.6 | 164.9 | -148.4 | 0 | 115.1 | K956 E957 | K954-K956 PolarHBondContact O-N 3.23Å; K954-E957 IonicContact NZ-OE1 2.72Å; K954-E957 PolarHBondContact NZ-OE1 3.14Å; K954-E957 IonicContact NZ-OE2 3.46Å; K954-E957 PolarHBondContact NZ-OE2 3.5Å | ||
| 955 | H | 41.8 | Very low | 57.2 | Low | 135 Ų | 135 | 71.7 Ų | 71.7 | 63% | 0.625 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 43.6 | 175.9 | -76.2 | -62.1 | 0 | 0 | 0 | 114.7 | W952 N953 | W952-H955 PolarHBondContact O-CD2 2.85Å; N953-H955 PolarHBondContact O-N 3Å |
| 956 | K | 43.8 | Very low | 58.6 | Low | 205 Ų | 205 | 70.8 Ų | 70.8 | 89% | 0.891 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.4 | -9.5 | 180 | -77.1 | -167.9 | 175.4 | -178.3 | 0 | 116.3 | K954 | K954-K956 PolarHBondContact O-N 3.23Š|
| 957 | E | 45.6 | Very low | 60.1 | Low | 124 Ų | 124 | 70.1 Ų | 70.1 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -91 | 153.7 | 172.7 | -74.5 | 164.6 | -161.6 | 0 | 0 | 110 | K954 | K954-E957 IonicContact NZ-OE1 2.72Å; K954-E957 PolarHBondContact NZ-OE1 3.14Å; K954-E957 IonicContact NZ-OE2 3.46Å; K954-E957 PolarHBondContact NZ-OE2 3.5Å |
| 958 | P | 44.8 | Very low | 62 | Low | 92 Ų | 92 | 65.9 Ų | 65.9 | 60% | 0.597 | 33% | 0.327 | S | S | * | . | trans | -66.9 | 148.2 | -176 | 27.5 | -34.9 | 0 | 0 | 0 | 112.8 | L933 S960 | L933-P958 HydrophobicContact CD2-CB 3.73Å; L933-P958 HydrophobicContact CD2-CG 3.84Å; P958-S960 PolarHBondContact O-N 2.8Å | ||
| 959 | M | 56.8 | Low | 64.1 | Low | 79 Ų | 79 | 65.4 Ų | 65.4 | 39% | 0.389 | 32% | 0.323 | S | S | . | . | trans | -71.1 | 82.9 | -166.1 | -145.4 | 89.5 | 163.6 | 0 | 0 | 113.1 | P922 W923 C926 | P922-M959 WeakPolarHBondContact O-CE 3.13Å; W923-M959 HydrophobicContact CD2-CE 4.35Å; W923-M959 HydrophobicContact CE3-CE 3.62Å; W923-M959 HydrophobicContact CE3-CG 4.33Å; W923-M959 HydrophobicContact CE3-SD 4.04Å; W923-M959 HydrophobicContact CZ3-CE 3.99Å; W923-M959 HydrophobicContact CZ3-SD 3.99Å; C926-M959 HydrophobicContact CB-CB 4.04Å; C926-M959 HydrophobicContact CB-CG 3.62Å; C926-M959 WeakPolarHBondContact CB-O 3.4Å | ||
| 960 | S | 68.2 | Low | 66.1 | Low | 30 Ų | 30 | 63.9 Ų | 63.9 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | trans | -71.5 | 141.1 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | D937 P958 Q962 | D937-S960 PolarHBondContact OD2-OG 2.89Å; P958-S960 PolarHBondContact O-N 2.8Å; S960-Q962 PolarHBondContact O-N 2.85Å; S960-Q962 WeakPolarHBondContact OG-CB 3.22Å; S960-Q962 PolarHBondContact OG-N 2.92Å | ||
| 961 | M | 75.3 | Confident | 68.2 | Low | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.7 | 169.4 | 173 | -176.2 | -71.9 | 0 | 0 | 113 | L927 I963 I964 L965 R1034 R1037 | L927-M961 HydrophobicContact CD2-CE 3.61Å; L927-M961 HydrophobicContact CD2-CG 4.38Å; M961-I963 PolarHBondContact O-N 2.67Å; M961-I964 PolarHBondContact O-N 2.81Å; M961-L965 HydrophobicContact CG-CG 4.39Å; M961-L965 HydrophobicContact SD-CD1 4.47Å; M961-R1034 HydrophobicContact CE-CB 3.45Å; M961-R1034 VanDerWaalsContact CE-CB 3.45Å; M961-R1034 HydrophobicContact CE-CG 3.53Å; M961-R1037 HydrophobicContact CE-CB 4.44Å; M961-R1037 HydrophobicContact SD-CB 3.47Å; M961-R1037 WeakPolarHBondContact SD-CB 3.13Å; M961-R1037 VanDerWaalsContact SD-CD 3.57Å; M961-R1037 HydrophobicContact SD-CG 4.09Å; M961-R1037 PolarHBondContact SD-NE 2.87Å |
| 962 | Q | 77.7 | Confident | 70.3 | Confident | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.3 | -34.3 | -170.5 | -166.6 | 64.4 | 4.7 | 0 | 0 | 111.5 | D942 S960 I964 L965 Q966 | D942-Q962 PolarHBondContact O-NE2 3.47Å; S960-Q962 PolarHBondContact O-N 2.85Å; S960-Q962 WeakPolarHBondContact OG-CB 3.22Å; S960-Q962 PolarHBondContact OG-N 2.92Å; Q962-I964 VanDerWaalsContact C-N 3.29Å; Q962-I964 PolarHBondContact O-N 3.29Å; Q962-L965 PolarHBondContact O-N 2.9Å; Q962-L965 VanDerWaalsContact O-N 3.13Å; Q962-Q966 WeakPolarHBondContact O-CB 3.44Å; Q962-Q966 PolarHBondContact O-N 3.17Å |
| 963 | I | 79.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.169 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -35.7 | 176.9 | -58.1 | 172.6 | 0 | 0 | 0 | 112.7 | W923 I946 T951 M961 N967 | W923-I963 HydrophobicContact CD2-CB 4.42Å; W923-I963 HydrophobicContact CD2-CD1 4.49Å; W923-I963 HydrophobicContact CD2-CG2 3.7Å; W923-I963 HydrophobicContact CE3-CB 4.37Å; W923-I963 HydrophobicContact CE3-CD1 3.77Å; W923-I963 HydrophobicContact CE3-CG2 4.04Å; W923-I963 HydrophobicContact CG-CG2 4.08Å; W923-I963 HydrophobicContact CH2-CD1 3.84Å; W923-I963 HydrophobicContact CH2-CG2 4.48Å; W923-I963 HydrophobicContact CZ2-CG2 4.15Å; W923-I963 HydrophobicContact CZ3-CD1 3.41Å; W923-I963 VanDerWaalsContact CZ3-CD1 3.41Å; W923-I963 HydrophobicContact CZ3-CG2 4.42Å; I946-I963 HydrophobicContact CD1-CG2 4.38Å; T951-I963 HydrophobicContact CG2-CG2 4.31Å; M961-I963 PolarHBondContact O-N 2.67Å; I963-N967 WeakPolarHBondContact O-CB 3.26Å; I963-N967 PolarHBondContact O-N 3.21Å; I963-N967 PolarHBondContact O-ND2 3.37Å |
| 964 | I | 86.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.5 | -48.4 | 175.4 | -68.4 | -179.3 | 0 | 0 | 0 | 110.7 | L920 W923 L924 C926 L927 M961 Q962 Q966 N967 F968 I996 | L920-I964 HydrophobicContact CD2-CB 4.48Å; L920-I964 HydrophobicContact CD2-CG1 4.27Å; L920-I964 HydrophobicContact CD2-CG2 4.07Å; W923-I964 HydrophobicContact CB-CD1 4.17Å; W923-I964 HydrophobicContact CB-CG1 3.84Å; L924-I964 HydrophobicContact CD2-CD1 4.47Å; C926-I964 VanDerWaalsContact SG-CD1 3.51Å; L927-I964 HydrophobicContact CD1-CD1 4Å; L927-I964 HydrophobicContact CD2-CD1 3.86Å; L927-I964 HydrophobicContact CG-CD1 3.81Å; M961-I964 PolarHBondContact O-N 2.81Å; Q962-I964 VanDerWaalsContact C-N 3.29Å; Q962-I964 PolarHBondContact O-N 3.29Å; I964-Q966 PolarHBondContact O-N 2.86Å; I964-N967 PolarHBondContact O-N 2.91Å; I964-F968 HydrophobicContact CG2-CD2 4.19Å; I964-F968 HydrophobicContact CG2-CE2 4.01Å; I964-F968 PolarHBondContact O-N 3.33Å; I964-I996 HydrophobicContact CG2-CD1 4.47Å |
| 965 | L | 87.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -35.1 | 178.1 | -57.6 | -177.2 | 0 | 0 | 0 | 111.3 | L941 M961 Q962 F968 T969 I1038 W1041 | L941-L965 HydrophobicContact CD2-CD1 4.26Å; M961-L965 HydrophobicContact CG-CG 4.39Å; M961-L965 HydrophobicContact SD-CD1 4.47Å; Q962-L965 PolarHBondContact O-N 2.9Å; Q962-L965 VanDerWaalsContact O-N 3.13Å; L965-F968 CarbonylContact O-C 3.55Å; L965-F968 PolarHBondContact O-N 3.41Å; L965-T969 PolarHBondContact O-N 2.82Å; L965-T969 PolarHBondContact O-OG1 3.42Å; L965-I1038 HydrophobicContact CD2-CG1 4.14Å; L965-W1041 HydrophobicContact CD2-CB 3.94Å; L965-W1041 HydrophobicContact CD2-CG 4.11Å |
| 966 | Q | 83.9 | Confident | 79.2 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 16% | 0.159 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.1 | -39 | -178.6 | -165.6 | 163.3 | 32.2 | 0 | 0 | 112.5 | K944 I946 Q962 I964 T969 Y970 | K944-Q966 VanDerWaalsContact O-CG 3.26Å; K944-Q966 WeakPolarHBondContact O-CG 3.47Å; K944-Q966 PolarHBondContact O-NE2 3.44Å; I946-Q966 HydrophobicContact CB-CG 3.9Å; I946-Q966 HydrophobicContact CD1-CG 4.08Å; I946-Q966 VanDerWaalsContact CG1-CD 3.45Å; I946-Q966 HydrophobicContact CG1-CG 4.02Å; I946-Q966 VanDerWaalsContact N-CG 3.31Å; Q962-Q966 WeakPolarHBondContact O-CB 3.44Å; Q962-Q966 PolarHBondContact O-N 3.17Å; I964-Q966 PolarHBondContact O-N 2.86Å; Q966-T969 PolarHBondContact O-N 3.48Å; Q966-Y970 PolarHBondContact O-N 3.21Å |
| 967 | N | 87.7 | Confident | 81.3 | Confident | 14 Ų | 14 | 37 Ų | 37 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 168.1 | -85.8 | -79.6 | 0 | 0 | 0 | 111.9 | I919 I963 I964 Y970 L971 | I919-N967 VanDerWaalsContact CG2-OD1 3.3Å; I919-N967 WeakPolarHBondContact CG2-OD1 3.25Å; I963-N967 WeakPolarHBondContact O-CB 3.26Å; I963-N967 PolarHBondContact O-N 3.21Å; I963-N967 PolarHBondContact O-ND2 3.37Å; I964-N967 PolarHBondContact O-N 2.91Å; N967-Y970 PolarHBondContact O-N 2.95Å; N967-L971 PolarHBondContact O-N 2.97Å |
| 968 | F | 93.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 172.1 | -76.3 | -22.8 | 0 | 0 | 0 | 112.4 | L920 I964 L965 Y970 L971 M972 Y989 L992 F993 I996 W1041 | L920-F968 HydrophobicContact CD1-CE1 3.71Å; L920-F968 HydrophobicContact CD1-CZ 4.28Å; L920-F968 HydrophobicContact CD2-CE1 4.5Å; I964-F968 HydrophobicContact CG2-CD2 4.19Å; I964-F968 HydrophobicContact CG2-CE2 4.01Å; I964-F968 PolarHBondContact O-N 3.33Å; L965-F968 CarbonylContact O-C 3.55Å; L965-F968 PolarHBondContact O-N 3.41Å; F968-Y970 PolarHBondContact O-N 2.89Å; F968-L971 PolarHBondContact O-N 3Å; F968-M972 PolarHBondContact O-N 3.45Å; F968-Y989 HydrophobicContact CB-CE1 4.21Å; F968-Y989 AromaticContact CD1-CE1 3.78Å; F968-Y989 HydrophobicContact CD1-CE1 3.78Å; F968-Y989 HydrophobicContact CE1-CE1 4.23Å; F968-Y989 HydrophobicContact CG-CE1 4.04Å; F968-Y989 PolarHBondContact O-OH 2.85Å; F968-L992 HydrophobicContact CE1-CB 4.11Å; F968-L992 HydrophobicContact CE1-CD1 4.12Å; F968-L992 HydrophobicContact CZ-CB 4.37Å; F968-F993 HydrophobicContact CE2-CD1 4.32Å; F968-F993 AromaticContact CE2-CE1 3.9Å; F968-F993 HydrophobicContact CE2-CE1 3.9Å; F968-F993 HydrophobicContact CZ-CD1 4.35Å; F968-F993 HydrophobicContact CZ-CE1 4.23Å; F968-I996 HydrophobicContact CE2-CD1 3.84Å; F968-I996 HydrophobicContact CZ-CD1 3.54Å; F968-W1041 VanDerWaalsContact C-CZ2 3.49Å; F968-W1041 HydrophobicContact CB-CD2 4.47Å; F968-W1041 HydrophobicContact CB-CE3 4.45Å; F968-W1041 HydrophobicContact CB-CH2 3.59Å; F968-W1041 HydrophobicContact CB-CZ2 3.52Å; F968-W1041 HydrophobicContact CB-CZ3 4.04Å; F968-W1041 HydrophobicContact CD2-CE3 4.29Å; F968-W1041 HydrophobicContact CD2-CZ3 4.18Å; F968-W1041 HydrophobicContact CG-CH2 4.31Å; F968-W1041 HydrophobicContact CG-CZ3 4.37Å |
| 969 | T | 90.9 | Very high | 85.4 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.4 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | D943 L965 Q966 L971 M972 Q973 W1041 | D943-T969 WeakPolarHBondContact O-CG2 3.34Å; L965-T969 PolarHBondContact O-N 2.82Å; L965-T969 PolarHBondContact O-OG1 3.42Å; Q966-T969 PolarHBondContact O-N 3.48Å; T969-L971 PolarHBondContact O-N 2.77Å; T969-M972 PolarHBondContact O-N 3.38Å; T969-Q973 HydrophobicContact CG2-CG 4.34Å; T969-Q973 WeakPolarHBondContact O-CG 3.48Å; T969-Q973 PolarHBondContact O-N 3.04Å; T969-W1041 PolarHBondContact OG1-NE1 3.42Å |
| 970 | Y | 89.3 | Confident | 87.1 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 12% | 0.122 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 175.9 | 177.8 | -97.9 | 0 | 0 | 0 | 111.6 | S844 I847 Q966 N967 F968 M972 Q973 Q974 | S844-Y970 PolarHBondContact O-OH 2.98Å; I847-Y970 HydrophobicContact CB-CE1 4.15Å; I847-Y970 HydrophobicContact CD1-CD1 4.06Å; I847-Y970 HydrophobicContact CD1-CE1 3.8Å; I847-Y970 HydrophobicContact CG2-CE1 4.04Å; Q966-Y970 PolarHBondContact O-N 3.21Å; N967-Y970 PolarHBondContact O-N 2.95Å; F968-Y970 PolarHBondContact O-N 2.89Å; Y970-M972 PolarHBondContact O-N 3.32Å; Y970-Q973 WeakPolarHBondContact O-CB 3.48Å; Y970-Q973 PolarHBondContact O-N 2.81Å; Y970-Q973 VanDerWaalsContact O-N 3.16Å; Y970-Q974 HydrophobicContact CD1-CG 4.33Å; Y970-Q974 HydrophobicContact CE1-CG 3.98Å; Y970-Q974 HydrophobicContact CE2-CG 4.34Å; Y970-Q974 VanDerWaalsContact CZ-NE2 3.33Å; Y970-Q974 WeakPolarHBondContact O-CG 3.49Å; Y970-Q974 PolarHBondContact O-N 3.19Å; Y970-Q974 PolarHBondContact OH-NE2 3.41Å |
| 971 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.8 | 176.7 | 66.3 | 0 | 0 | 0 | 112.2 | I847 L912 M916 N967 F968 T969 Q973 Q974 L975 L988 Y989 L992 | I847-L971 HydrophobicContact CG2-CD1 3.99Å; L912-L971 HydrophobicContact CD1-CD1 3.9Å; L912-L971 HydrophobicContact CD2-CD1 4.31Å; L912-L971 HydrophobicContact CG-CD1 4.32Å; M916-L971 HydrophobicContact CE-CB 4.3Å; M916-L971 HydrophobicContact CE-CD2 3.95Å; M916-L971 HydrophobicContact CG-CD1 4.29Å; M916-L971 HydrophobicContact CG-CD2 3.79Å; M916-L971 HydrophobicContact SD-CB 4.18Å; M916-L971 HydrophobicContact SD-CD1 4.19Å; M916-L971 HydrophobicContact SD-CD2 3.9Å; M916-L971 HydrophobicContact SD-CG 4.31Å; N967-L971 PolarHBondContact O-N 2.97Å; F968-L971 PolarHBondContact O-N 3Å; T969-L971 PolarHBondContact O-N 2.77Å; L971-Q973 VanDerWaalsContact C-N 3.28Å; L971-Q973 PolarHBondContact O-N 2.84Å; L971-Q974 PolarHBondContact O-N 2.55Å; L971-L975 HydrophobicContact CD1-CD1 4.02Å; L971-L975 HydrophobicContact CD1-CG 4.18Å; L971-L975 HydrophobicContact CG-CD1 3.85Å; L971-L975 HydrophobicContact CG-CG 4.45Å; L971-L975 WeakPolarHBondContact O-CB 3.32Å; L971-L975 WeakPolarHBondContact O-CG 3.46Å; L971-L975 PolarHBondContact O-N 3.07Å; L971-L988 HydrophobicContact CD1-CD2 4.37Å; L971-L988 HydrophobicContact CD2-CD2 4.04Å; L971-Y989 WeakPolarHBondContact CB-OH 3.46Å; L971-Y989 HydrophobicContact CD2-CE1 4.42Å; L971-Y989 HydrophobicContact CD2-CE2 4.01Å; L971-Y989 WeakPolarHBondContact CD2-OH 3.43Å; L971-Y989 HydrophobicContact CG-CE2 4.29Å; L971-Y989 WeakPolarHBondContact CG-OH 3.43Å; L971-L992 HydrophobicContact CD2-CD1 3.74Å |
| 972 | M | 93.7 | Very high | 89 | Confident | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58 | -40.1 | 173.8 | -79.6 | -52.9 | -63.9 | 0 | 0 | 112.3 | F968 T969 Y970 R976 T985 Y989 W1041 Q1045 L1047 | F968-M972 PolarHBondContact O-N 3.45Å; T969-M972 PolarHBondContact O-N 3.38Å; Y970-M972 PolarHBondContact O-N 3.32Å; M972-R976 VanDerWaalsContact CE-CZ 3.49Å; M972-R976 WeakPolarHBondContact O-CB 3.44Å; M972-R976 VanDerWaalsContact O-CG 3.28Å; M972-R976 WeakPolarHBondContact O-CG 3.27Å; M972-R976 PolarHBondContact O-N 2.98Å; M972-T985 HydrophobicContact CE-CG2 4.06Å; M972-T985 HydrophobicContact SD-CG2 3.9Å; M972-Y989 HydrophobicContact CG-CE2 4.09Å; M972-Y989 WeakPolarHBondContact CG-OH 2.9Å; M972-Y989 PolarHBondContact N-OH 3.18Å; M972-Y989 HydrophobicContact SD-CD2 3.92Å; M972-Y989 HydrophobicContact SD-CE1 4.45Å; M972-Y989 HydrophobicContact SD-CE2 3.24Å; M972-Y989 WeakPolarHBondContact SD-CE2 3.14Å; M972-Y989 VanDerWaalsContact SD-CZ 3.55Å; M972-W1041 HydrophobicContact CG-CH2 3.57Å; M972-W1041 HydrophobicContact CG-CZ2 3.72Å; M972-W1041 HydrophobicContact SD-CH2 4.48Å; M972-Q1045 HydrophobicContact CE-CB 4.32Å; M972-Q1045 HydrophobicContact CG-CG 4.22Å; M972-L1047 HydrophobicContact SD-CD1 4.11Å |
| 973 | Q | 90.4 | Very high | 89.6 | Confident | 57 Ų | 57 | 30.9 Ų | 30.9 | 27% | 0.266 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 177.5 | -72.7 | -178.6 | 17.9 | 0 | 0 | 111.9 | T969 Y970 L971 R976 K977 | T969-Q973 HydrophobicContact CG2-CG 4.34Å; T969-Q973 WeakPolarHBondContact O-CG 3.48Å; T969-Q973 PolarHBondContact O-N 3.04Å; Y970-Q973 WeakPolarHBondContact O-CB 3.48Å; Y970-Q973 PolarHBondContact O-N 2.81Å; Y970-Q973 VanDerWaalsContact O-N 3.16Å; L971-Q973 VanDerWaalsContact C-N 3.28Å; L971-Q973 PolarHBondContact O-N 2.84Å; Q973-R976 PolarHBondContact O-N 3.26Å; Q973-K977 WeakPolarHBondContact O-CB 3.2Å; Q973-K977 WeakPolarHBondContact O-CG 3.48Å; Q973-K977 PolarHBondContact O-N 3.13Å |
| 974 | Q | 90.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 6% | 0.061 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 178.4 | -57.8 | -56.7 | -8.2 | 0 | 0 | 111.9 | I847 T851 Y970 L971 R976 K977 S978 | I847-Q974 HydrophobicContact CG2-CB 4.16Å; I847-Q974 HydrophobicContact CG2-CG 4.08Å; T851-Q974 HydrophobicContact CG2-CB 4.06Å; Y970-Q974 HydrophobicContact CD1-CG 4.33Å; Y970-Q974 HydrophobicContact CE1-CG 3.98Å; Y970-Q974 HydrophobicContact CE2-CG 4.34Å; Y970-Q974 VanDerWaalsContact CZ-NE2 3.33Å; Y970-Q974 WeakPolarHBondContact O-CG 3.49Å; Y970-Q974 PolarHBondContact O-N 3.19Å; Y970-Q974 PolarHBondContact OH-NE2 3.41Å; L971-Q974 PolarHBondContact O-N 2.55Å; Q974-R976 PolarHBondContact O-N 3.27Å; Q974-K977 PolarHBondContact O-N 3.48Å; Q974-S978 WeakPolarHBondContact O-CB 3.29Å; Q974-S978 PolarHBondContact O-N 2.89Å; Q974-S978 PolarHBondContact O-OG 2.98Å |
| 975 | L | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60 | -43 | 174.6 | -71.1 | 165.4 | 0 | 0 | 0 | 112.3 | T851 L854 L912 L971 S978 R979 V980 T985 L988 Y989 | T851-L975 HydrophobicContact CG2-CD2 3.68Å; T851-L975 HydrophobicContact CG2-CG 3.96Å; L854-L975 HydrophobicContact CD2-CD2 4.32Å; L912-L975 HydrophobicContact CD2-CD2 4.16Å; L971-L975 HydrophobicContact CD1-CD1 4.02Å; L971-L975 HydrophobicContact CD1-CG 4.18Å; L971-L975 HydrophobicContact CG-CD1 3.85Å; L971-L975 HydrophobicContact CG-CG 4.45Å; L971-L975 WeakPolarHBondContact O-CB 3.32Å; L971-L975 WeakPolarHBondContact O-CG 3.46Å; L971-L975 PolarHBondContact O-N 3.07Å; L975-S978 CarbonylContact O-C 3.5Å; L975-R979 PolarHBondContact O-N 2.92Å; L975-R979 VanDerWaalsContact O-N 3.07Å; L975-V980 HydrophobicContact CD2-CB 3.97Å; L975-V980 HydrophobicContact CD2-CG1 4.11Å; L975-V980 HydrophobicContact CD2-CG2 3.83Å; L975-V980 PolarHBondContact O-N 3.17Å; L975-T985 HydrophobicContact CD1-CG2 4.05Å; L975-L988 HydrophobicContact CD1-CD2 4.06Å; L975-Y989 HydrophobicContact CD1-CE2 3.82Å |
| 976 | R | 90.8 | Very high | 90.9 | Very high | 130 Ų | 130 | 34.2 Ų | 34.2 | 49% | 0.491 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 175.6 | -73.3 | 174.9 | 178.6 | 147.2 | -0.1 | 112.7 | M972 Q973 Q974 R979 Q1045 | M972-R976 VanDerWaalsContact CE-CZ 3.49Å; M972-R976 WeakPolarHBondContact O-CB 3.44Å; M972-R976 VanDerWaalsContact O-CG 3.28Å; M972-R976 WeakPolarHBondContact O-CG 3.27Å; M972-R976 PolarHBondContact O-N 2.98Å; Q973-R976 PolarHBondContact O-N 3.26Å; Q974-R976 PolarHBondContact O-N 3.27Å; R976-R979 PolarHBondContact O-N 3.42Å; R976-R979 VanDerWaalsContact O-N 3.12Å; R976-Q1045 VanDerWaalsContact CZ-OE1 3.27Å |
| 977 | K | 87.6 | Confident | 91.3 | Very high | 94 Ų | 94 | 34.1 Ų | 34.1 | 41% | 0.409 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 174.5 | -77.3 | 168.2 | -177.3 | 174.2 | 0 | 111.1 | Y784 Q973 Q974 R979 | Y784-K977 VanDerWaalsContact CB-O 3.3Å; Y784-K977 WeakPolarHBondContact CB-O 3.15Å; Y784-K977 WeakPolarHBondContact CD2-O 3.39Å; Y784-K977 HydrophobicContact CE1-CB 4.44Å; Y784-K977 HydrophobicContact CE2-CB 4.48Å; Y784-K977 VanDerWaalsContact CG-O 3.29Å; Q973-K977 WeakPolarHBondContact O-CB 3.2Å; Q973-K977 WeakPolarHBondContact O-CG 3.48Å; Q973-K977 PolarHBondContact O-N 3.13Å; Q974-K977 PolarHBondContact O-N 3.48Å; K977-R979 PolarHBondContact O-N 3.26Å |
| 978 | S | 88.3 | Confident | 91.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -0.5 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | T851 Y852 Q974 L975 V980 | T851-S978 VanDerWaalsContact C-CB 3.46Å; T851-S978 VanDerWaalsContact C-OG 3.24Å; T851-S978 WeakPolarHBondContact CB-OG 3.22Å; T851-S978 WeakPolarHBondContact O-CB 3.45Å; T851-S978 PolarHBondContact O-OG 2.81Å; T851-S978 PolarHBondContact OG1-OG 3.33Å; Y852-S978 PolarHBondContact N-OG 3.16Å; Q974-S978 WeakPolarHBondContact O-CB 3.29Å; Q974-S978 PolarHBondContact O-N 2.89Å; Q974-S978 PolarHBondContact O-OG 2.98Å; L975-S978 CarbonylContact O-C 3.5Å; S978-V980 PolarHBondContact O-N 3.48Å |
| 979 | R | 89 | Confident | 91.8 | Very high | 93 Ų | 93 | 33.5 Ų | 33.5 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 38.1 | -177.9 | -52.2 | -172 | 177.1 | -160.2 | 1.4 | 114.6 | L785 L975 R976 K977 N981 V1164 | L785-R979 HydrophobicContact CD1-CB 3.93Å; L785-R979 HydrophobicContact CG-CB 4.25Å; L975-R979 PolarHBondContact O-N 2.92Å; L975-R979 VanDerWaalsContact O-N 3.07Å; R976-R979 PolarHBondContact O-N 3.42Å; R976-R979 VanDerWaalsContact O-N 3.12Å; K977-R979 PolarHBondContact O-N 3.26Å; R979-N981 PolarHBondContact O-N 2.83Å; R979-V1164 HydrophobicContact CB-CG2 3.75Å |
| 980 | V | 92.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | trans | -60.8 | 134.8 | 178.1 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | T851 L854 L975 S978 L984 | T851-V980 WeakPolarHBondContact O-CG2 3.21Å; L854-V980 HydrophobicContact CB-CG2 4.37Å; L854-V980 HydrophobicContact CD2-CG1 3.86Å; L854-V980 HydrophobicContact CD2-CG2 4.35Å; L854-V980 HydrophobicContact CG-CG1 4.01Å; L854-V980 HydrophobicContact CG-CG2 4.35Å; L975-V980 HydrophobicContact CD2-CB 3.97Å; L975-V980 HydrophobicContact CD2-CG1 4.11Å; L975-V980 HydrophobicContact CD2-CG2 3.83Å; L975-V980 PolarHBondContact O-N 3.17Å; S978-V980 PolarHBondContact O-N 3.48Å; V980-L984 HydrophobicContact CG1-CB 3.87Å; V980-L984 HydrophobicContact CG1-CD1 4.15Å | ||
| 981 | N | 91.7 | Very high | 92 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | trans | -48.6 | 131.4 | -179.6 | -178.5 | -55.4 | 0 | 0 | 0 | 111 | R979 A983 L984 T985 P1159 D1161 G1162 Y1163 | R979-N981 PolarHBondContact O-N 2.83Å; N981-A983 PolarHBondContact O-N 3.12Å; N981-A983 VanDerWaalsContact O-N 3.12Å; N981-A983 WeakPolarHBondContact OD1-CB 3.3Å; N981-A983 PolarHBondContact OD1-N 2.92Å; N981-L984 HydrophobicContact CB-CD1 4.35Å; N981-L984 HydrophobicContact CB-CG 4.49Å; N981-L984 PolarHBondContact O-N 3.43Å; N981-T985 PolarHBondContact O-N 2.99Å; N981-P1159 HydrophobicContact CB-CG 4.26Å; N981-P1159 WeakPolarHBondContact ND2-CB 2.86Å; N981-D1161 PolarHBondContact ND2-O 3.19Å; N981-G1162 VanDerWaalsContact ND2-C 3.31Å; N981-G1162 PolarHBondContact ND2-O 2.75Å; N981-Y1163 HydrophobicContact CB-CD1 4.33Å; N981-Y1163 HydrophobicContact CB-CE1 4.19Å; N981-Y1163 VanDerWaalsContact ND2-CD2 3.34Å; N981-Y1163 WeakPolarHBondContact ND2-CD2 3.2Å; N981-Y1163 VanDerWaalsContact ND2-CE2 3.33Å; N981-Y1163 WeakPolarHBondContact ND2-CE2 3.4Å | ||
| 982 | P | 90.4 | Very high | 92 | Very high | 74 Ų | 74 | 33.5 Ų | 33.5 | 48% | 0.481 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -53 | -36.7 | -177 | -28.9 | 35.9 | 0 | 0 | 0 | 114.1 | L984 T985 F986 G1162 | P982-L984 VanDerWaalsContact C-N 3.35Å; P982-L984 PolarHBondContact O-N 3.39Å; P982-T985 CarbonylContact O-C 3.59Å; P982-T985 WeakPolarHBondContact O-CA 3.26Å; P982-T985 WeakPolarHBondContact O-CB 3.22Å; P982-T985 PolarHBondContact O-N 2.86Å; P982-T985 VanDerWaalsContact O-N 3.1Å; P982-F986 WeakPolarHBondContact O-CD2 3.38Å; P982-F986 PolarHBondContact O-N 2.76Å; P982-G1162 WeakPolarHBondContact CD-O 3.25Å |
| 983 | A | 90.5 | Very high | 92 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 33% | 0.331 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.2 | -25 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N981 Q987 P1159 | N981-A983 PolarHBondContact O-N 3.12Å; N981-A983 VanDerWaalsContact O-N 3.12Å; N981-A983 WeakPolarHBondContact OD1-CB 3.3Å; N981-A983 PolarHBondContact OD1-N 2.92Å; A983-Q987 WeakPolarHBondContact O-CG 3.3Å; A983-Q987 PolarHBondContact O-N 3.2Å; A983-Q987 PolarHBondContact O-NE2 2.78Å; A983-P1159 HydrophobicContact CB-CB 4.06Å; A983-P1159 HydrophobicContact CB-CG 3.79Å |
| 984 | L | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.1 | -40.3 | 166.6 | -68.8 | 173 | 0 | 0 | 0 | 110.6 | L854 V905 V980 N981 P982 Q987 L988 L1156 P1159 | L854-L984 HydrophobicContact CD1-CD1 4.24Å; L854-L984 HydrophobicContact CG-CD1 4.43Å; V905-L984 HydrophobicContact CG1-CD1 4.34Å; V905-L984 HydrophobicContact CG1-CD2 4.41Å; V980-L984 HydrophobicContact CG1-CB 3.87Å; V980-L984 HydrophobicContact CG1-CD1 4.15Å; N981-L984 HydrophobicContact CB-CD1 4.35Å; N981-L984 HydrophobicContact CB-CG 4.49Å; N981-L984 PolarHBondContact O-N 3.43Å; P982-L984 VanDerWaalsContact C-N 3.35Å; P982-L984 PolarHBondContact O-N 3.39Å; L984-Q987 PolarHBondContact O-N 3.44Å; L984-L988 PolarHBondContact O-N 2.78Å; L984-L1156 HydrophobicContact CD2-CD1 3.87Å; L984-L1156 HydrophobicContact CD2-CG 4.47Å; L984-P1159 HydrophobicContact CD2-CG 4.26Å; L984-P1159 HydrophobicContact CG-CG 3.86Å |
| 985 | T | 93.9 | Very high | 92.1 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 8% | 0.08 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | M972 L975 N981 P982 Q987 L988 Y989 | M972-T985 HydrophobicContact CE-CG2 4.06Å; M972-T985 HydrophobicContact SD-CG2 3.9Å; L975-T985 HydrophobicContact CD1-CG2 4.05Å; N981-T985 PolarHBondContact O-N 2.99Å; P982-T985 CarbonylContact O-C 3.59Å; P982-T985 WeakPolarHBondContact O-CA 3.26Å; P982-T985 WeakPolarHBondContact O-CB 3.22Å; P982-T985 PolarHBondContact O-N 2.86Å; P982-T985 VanDerWaalsContact O-N 3.1Å; T985-Q987 VanDerWaalsContact C-N 3.33Å; T985-Q987 PolarHBondContact O-N 3.39Å; T985-L988 PolarHBondContact O-N 3.18Å; T985-Y989 HydrophobicContact CG2-CD2 3.98Å; T985-Y989 HydrophobicContact CG2-CE2 4.19Å; T985-Y989 WeakPolarHBondContact O-CD2 3.44Å; T985-Y989 PolarHBondContact O-N 3.1Å |
| 986 | F | 93.3 | Very high | 92 | Very high | 90 Ų | 90 | 30.7 Ų | 30.7 | 40% | 0.395 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -56.8 | -42.9 | 174.8 | -85.5 | -74.3 | 0 | 0 | 0 | 112.5 | P982 S990 G1046 L1047 A1050 | P982-F986 WeakPolarHBondContact O-CD2 3.38Å; P982-F986 PolarHBondContact O-N 2.76Å; F986-S990 VanDerWaalsContact O-CB 3.3Å; F986-S990 WeakPolarHBondContact O-CB 3.22Å; F986-S990 PolarHBondContact O-N 2.9Å; F986-G1046 VanDerWaalsContact CE1-O 3.3Å; F986-G1046 WeakPolarHBondContact CE1-O 3.44Å; F986-G1046 VanDerWaalsContact CZ-O 3.28Å; F986-G1046 WeakPolarHBondContact CZ-O 3.3Å; F986-L1047 HydrophobicContact CD1-CD2 3.64Å; F986-L1047 HydrophobicContact CE1-CD2 3.72Å; F986-L1047 HydrophobicContact CG-CD2 4.28Å; F986-L1047 HydrophobicContact CZ-CD2 4.39Å; F986-A1050 HydrophobicContact CD1-CB 4.32Å |
| 987 | Q | 93.1 | Very high | 92 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 15% | 0.154 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 178.8 | -76.3 | 173.9 | 89.1 | 0 | 0 | 112.2 | F909 A983 L984 T985 Y989 S990 Q991 L1157 | F909-Q987 HydrophobicContact CE2-CB 4.07Å; F909-Q987 HydrophobicContact CZ-CB 3.96Å; A983-Q987 WeakPolarHBondContact O-CG 3.3Å; A983-Q987 PolarHBondContact O-N 3.2Å; A983-Q987 PolarHBondContact O-NE2 2.78Å; L984-Q987 PolarHBondContact O-N 3.44Å; T985-Q987 VanDerWaalsContact C-N 3.33Å; T985-Q987 PolarHBondContact O-N 3.39Å; Q987-Y989 PolarHBondContact O-N 3.01Å; Q987-S990 PolarHBondContact O-N 2.69Å; Q987-Q991 WeakPolarHBondContact O-CG 3.38Å; Q987-Q991 PolarHBondContact O-N 2.97Å; Q987-Q991 VanDerWaalsContact O-N 3.07Å; Q987-L1157 PolarHBondContact NE2-O 2.92Å; Q987-L1157 PolarHBondContact OE1-O 2.96Å |
| 988 | L | 94.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 178.1 | -174.3 | 68.1 | 0 | 0 | 0 | 111 | F909 L912 R913 L971 L975 L984 T985 S990 Q991 L992 | F909-L988 HydrophobicContact CD2-CB 4.5Å; F909-L988 HydrophobicContact CD2-CD1 4.47Å; F909-L988 HydrophobicContact CE2-CB 3.7Å; F909-L988 HydrophobicContact CE2-CD1 4.17Å; F909-L988 HydrophobicContact CZ-CB 4.06Å; F909-L988 HydrophobicContact CZ-CD1 4.2Å; L912-L988 HydrophobicContact CD2-CD2 3.62Å; L912-L988 HydrophobicContact CG-CD2 3.99Å; R913-L988 HydrophobicContact CB-CD1 4Å; L971-L988 HydrophobicContact CD1-CD2 4.37Å; L971-L988 HydrophobicContact CD2-CD2 4.04Å; L975-L988 HydrophobicContact CD1-CD2 4.06Å; L984-L988 PolarHBondContact O-N 2.78Å; T985-L988 PolarHBondContact O-N 3.18Å; L988-S990 PolarHBondContact O-N 2.62Å; L988-Q991 PolarHBondContact O-N 2.75Å; L988-L992 HydrophobicContact CG-CD1 4.27Å; L988-L992 WeakPolarHBondContact O-CG 2.9Å; L988-L992 PolarHBondContact O-N 2.85Å |
| 989 | Y | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.7 | -34 | 177.5 | -83.9 | -85 | 0 | 0 | 0 | 113.1 | F968 L971 M972 L975 T985 Q987 Q991 L992 F993 W1041 L1047 | F968-Y989 HydrophobicContact CB-CE1 4.21Å; F968-Y989 AromaticContact CD1-CE1 3.78Å; F968-Y989 HydrophobicContact CD1-CE1 3.78Å; F968-Y989 HydrophobicContact CE1-CE1 4.23Å; F968-Y989 HydrophobicContact CG-CE1 4.04Å; F968-Y989 PolarHBondContact O-OH 2.85Å; L971-Y989 WeakPolarHBondContact CB-OH 3.46Å; L971-Y989 HydrophobicContact CD2-CE1 4.42Å; L971-Y989 HydrophobicContact CD2-CE2 4.01Å; L971-Y989 WeakPolarHBondContact CD2-OH 3.43Å; L971-Y989 HydrophobicContact CG-CE2 4.29Å; L971-Y989 WeakPolarHBondContact CG-OH 3.43Å; M972-Y989 HydrophobicContact CG-CE2 4.09Å; M972-Y989 WeakPolarHBondContact CG-OH 2.9Å; M972-Y989 PolarHBondContact N-OH 3.18Å; M972-Y989 HydrophobicContact SD-CD2 3.92Å; M972-Y989 HydrophobicContact SD-CE1 4.45Å; M972-Y989 HydrophobicContact SD-CE2 3.24Å; M972-Y989 WeakPolarHBondContact SD-CE2 3.14Å; M972-Y989 VanDerWaalsContact SD-CZ 3.55Å; L975-Y989 HydrophobicContact CD1-CE2 3.82Å; T985-Y989 HydrophobicContact CG2-CD2 3.98Å; T985-Y989 HydrophobicContact CG2-CE2 4.19Å; T985-Y989 WeakPolarHBondContact O-CD2 3.44Å; T985-Y989 PolarHBondContact O-N 3.1Å; Q987-Y989 PolarHBondContact O-N 3.01Å; Y989-Q991 VanDerWaalsContact C-N 3.27Å; Y989-Q991 PolarHBondContact O-N 3.15Å; Y989-L992 PolarHBondContact O-N 3.44Å; Y989-F993 HydrophobicContact CD1-CE1 4.24Å; Y989-F993 HydrophobicContact CD1-CE2 4.32Å; Y989-F993 AromaticContact CD1-CZ 3.87Å; Y989-F993 HydrophobicContact CD1-CZ 3.87Å; Y989-F993 WeakPolarHBondContact O-CB 3.45Å; Y989-F993 WeakPolarHBondContact O-CD2 3.26Å; Y989-F993 WeakPolarHBondContact O-CG 3.35Å; Y989-F993 PolarHBondContact O-N 2.86Å; Y989-W1041 HydrophobicContact CD1-CH2 4.34Å; Y989-W1041 HydrophobicContact CD1-CZ3 4.28Å; Y989-W1041 AromaticContact CE1-CH2 3.64Å; Y989-W1041 HydrophobicContact CE1-CH2 3.64Å; Y989-W1041 AromaticContact CE1-CZ3 3.98Å; Y989-W1041 HydrophobicContact CE1-CZ3 3.98Å; Y989-L1047 HydrophobicContact CD1-CD1 3.88Å; Y989-L1047 HydrophobicContact CD2-CD1 4.07Å; Y989-L1047 HydrophobicContact CE1-CD1 4.42Å; Y989-L1047 HydrophobicContact CG-CD1 3.67Å |
| 990 | S | 92.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 17.6 Ų | 17.6 | 11% | 0.112 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 172.8 | -159.7 | 0 | 0 | 0 | 0 | 111.5 | F986 Q987 L988 H994 R1054 | F986-S990 VanDerWaalsContact O-CB 3.3Å; F986-S990 WeakPolarHBondContact O-CB 3.22Å; F986-S990 PolarHBondContact O-N 2.9Å; Q987-S990 PolarHBondContact O-N 2.69Å; L988-S990 PolarHBondContact O-N 2.62Å; S990-H994 VanDerWaalsContact O-CB 3.31Å; S990-H994 WeakPolarHBondContact O-CB 3.17Å; S990-H994 PolarHBondContact O-N 3Å; S990-R1054 WeakPolarHBondContact O-CG 3.41Å; S990-R1054 WeakPolarHBondContact OG-CG 3.4Å; S990-R1054 PolarHBondContact OG-NE 2.92Å |
| 991 | Q | 91.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 17.2 Ų | 17.2 | 11% | 0.107 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.7 | -38.2 | 175.3 | -66.9 | -174.9 | 4.9 | 0 | 0 | 112.6 | Q987 L988 Y989 H994 L995 L1152 | Q987-Q991 WeakPolarHBondContact O-CG 3.38Å; Q987-Q991 PolarHBondContact O-N 2.97Å; Q987-Q991 VanDerWaalsContact O-N 3.07Å; L988-Q991 PolarHBondContact O-N 2.75Å; Y989-Q991 VanDerWaalsContact C-N 3.27Å; Y989-Q991 PolarHBondContact O-N 3.15Å; Q991-H994 PolarHBondContact O-N 2.81Å; Q991-L995 WeakPolarHBondContact O-CB 3.29Å; Q991-L995 PolarHBondContact O-N 2.66Å; Q991-L1152 HydrophobicContact CG-CB 4.18Å; Q991-L1152 HydrophobicContact CG-CD2 3.79Å |
| 992 | L | 93.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.4 | -36.2 | 175.9 | -65.3 | 172.8 | 0 | 0 | 0 | 112.9 | M916 L920 F968 L971 L988 Y989 I996 | M916-L992 HydrophobicContact CB-CD1 4.25Å; M916-L992 HydrophobicContact CB-CD2 3.83Å; L920-L992 HydrophobicContact CD1-CD2 4.23Å; F968-L992 HydrophobicContact CE1-CB 4.11Å; F968-L992 HydrophobicContact CE1-CD1 4.12Å; F968-L992 HydrophobicContact CZ-CB 4.37Å; L971-L992 HydrophobicContact CD2-CD1 3.74Å; L988-L992 HydrophobicContact CG-CD1 4.27Å; L988-L992 WeakPolarHBondContact O-CG 2.9Å; L988-L992 PolarHBondContact O-N 2.85Å; Y989-L992 PolarHBondContact O-N 3.44Å; L992-I996 WeakPolarHBondContact O-CG1 3.45Å; L992-I996 PolarHBondContact O-N 3.45Å; L992-I996 VanDerWaalsContact O-N 3.14Å |
| 993 | F | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.6 | -38.7 | 173 | -62.2 | -39.8 | 0 | 0 | 0 | 111.9 | F968 Y989 L995 I996 G997 I1038 W1041 A1042 L1047 A1050 V1051 R1054 L1055 | F968-F993 HydrophobicContact CE2-CD1 4.32Å; F968-F993 AromaticContact CE2-CE1 3.9Å; F968-F993 HydrophobicContact CE2-CE1 3.9Å; F968-F993 HydrophobicContact CZ-CD1 4.35Å; F968-F993 HydrophobicContact CZ-CE1 4.23Å; Y989-F993 HydrophobicContact CD1-CE1 4.24Å; Y989-F993 HydrophobicContact CD1-CE2 4.32Å; Y989-F993 AromaticContact CD1-CZ 3.87Å; Y989-F993 HydrophobicContact CD1-CZ 3.87Å; Y989-F993 WeakPolarHBondContact O-CB 3.45Å; Y989-F993 WeakPolarHBondContact O-CD2 3.26Å; Y989-F993 WeakPolarHBondContact O-CG 3.35Å; Y989-F993 PolarHBondContact O-N 2.86Å; F993-L995 VanDerWaalsContact C-N 3.33Å; F993-I996 PolarHBondContact O-N 2.77Å; F993-G997 PolarHBondContact O-N 2.66Å; F993-I1038 HydrophobicContact CD1-CG2 4.34Å; F993-I1038 HydrophobicContact CE1-CG2 4.07Å; F993-W1041 HydrophobicContact CE1-CZ3 4.46Å; F993-W1041 HydrophobicContact CZ-CZ3 4.13Å; F993-A1042 HydrophobicContact CE2-CB 4.38Å; F993-A1042 HydrophobicContact CZ-CB 3.82Å; F993-L1047 HydrophobicContact CE2-CB 4.22Å; F993-L1047 HydrophobicContact CE2-CD1 4.38Å; F993-L1047 HydrophobicContact CZ-CD1 4.24Å; F993-A1050 HydrophobicContact CD2-CB 4.35Å; F993-A1050 HydrophobicContact CE2-CB 4.37Å; F993-V1051 HydrophobicContact CD1-CG2 4.21Å; F993-V1051 HydrophobicContact CD2-CB 3.82Å; F993-V1051 HydrophobicContact CD2-CG2 4.3Å; F993-V1051 HydrophobicContact CE1-CB 4.48Å; F993-V1051 HydrophobicContact CE1-CG2 4.28Å; F993-V1051 HydrophobicContact CE2-CB 3.72Å; F993-V1051 HydrophobicContact CE2-CG2 4.36Å; F993-V1051 HydrophobicContact CG-CB 4.26Å; F993-V1051 HydrophobicContact CG-CG2 4.24Å; F993-V1051 HydrophobicContact CZ-CB 4.07Å; F993-V1051 HydrophobicContact CZ-CG2 4.35Å; F993-R1054 HydrophobicContact CB-CB 3.84Å; F993-L1055 WeakPolarHBondContact O-CD2 3.28Å |
| 994 | H | 92.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 4% | 0.037 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 172.4 | 176 | 77.2 | 0 | 0 | 0 | 111.3 | S990 Q991 I996 G997 A998 R1054 E1148 L1149 L1152 | S990-H994 VanDerWaalsContact O-CB 3.31Å; S990-H994 WeakPolarHBondContact O-CB 3.17Å; S990-H994 PolarHBondContact O-N 3Å; Q991-H994 PolarHBondContact O-N 2.81Å; H994-I996 VanDerWaalsContact C-N 3.35Å; H994-I996 PolarHBondContact O-N 2.93Å; H994-G997 CarbonylContact O-C 3.48Å; H994-G997 PolarHBondContact O-N 3.21Å; H994-A998 WeakPolarHBondContact O-CB 3.31Å; H994-A998 PolarHBondContact O-N 3.05Å; H994-R1054 HydrophobicContact CB-CB 4.34Å; H994-R1054 HydrophobicContact CB-CG 4.34Å; H994-E1148 IonicContact CE1-OE1 2.81Å; H994-E1148 PolarHBondContact CE1-OE1 2.86Å; H994-E1148 IonicContact ND1-OE1 3.66Å; H994-L1149 PolarHBondContact NE2-O 2.98Å; H994-L1149 VanDerWaalsContact NE2-O 3.07Å; H994-L1152 HydrophobicContact CB-CB 4.19Å; H994-L1152 HydrophobicContact CB-CD1 4.18Å; H994-L1152 VanDerWaalsContact CD2-CA 3.43Å; H994-L1152 WeakPolarHBondContact CD2-CA 3.36Å; H994-L1152 VanDerWaalsContact CD2-CB 3.43Å; H994-L1152 WeakPolarHBondContact CD2-CB 3.47Å; H994-L1152 PolarHBondContact CD2-N 3.07Å; H994-L1152 VanDerWaalsContact CD2-N 3.32Å; H994-L1152 WeakPolarHBondContact NE2-CA 3.49Å; H994-L1152 PolarHBondContact NE2-N 2.75Å |
| 995 | L | 90.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 14.3 Ų | 14.3 | 6% | 0.063 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.1 | -47 | 174.3 | 172.8 | 70.4 | 0 | 0 | 0 | 112.2 | Y917 Q991 F993 A998 Y999 | Y917-L995 HydrophobicContact CD2-CD1 3.57Å; Y917-L995 HydrophobicContact CD2-CD2 3.49Å; Y917-L995 VanDerWaalsContact CD2-CD2 3.49Å; Y917-L995 HydrophobicContact CD2-CG 4.16Å; Y917-L995 HydrophobicContact CE2-CD1 3.53Å; Y917-L995 HydrophobicContact CE2-CD2 4.24Å; Y917-L995 HydrophobicContact CG-CD2 4.31Å; Q991-L995 WeakPolarHBondContact O-CB 3.29Å; Q991-L995 PolarHBondContact O-N 2.66Å; F993-L995 VanDerWaalsContact C-N 3.33Å; L995-A998 PolarHBondContact O-N 2.97Å; L995-Y999 WeakPolarHBondContact O-CB 3.44Å; L995-Y999 PolarHBondContact O-N 2.8Å |
| 996 | I | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.6 | -73.2 | 175.3 | 0 | 0 | 0 | 110.5 | L924 L927 I964 F968 L992 F993 H994 Y999 I1000 I1038 L1055 | L924-I996 HydrophobicContact CD2-CG1 3.84Å; L927-I996 HydrophobicContact CD1-CG2 3.74Å; I964-I996 HydrophobicContact CG2-CD1 4.47Å; F968-I996 HydrophobicContact CE2-CD1 3.84Å; F968-I996 HydrophobicContact CZ-CD1 3.54Å; L992-I996 WeakPolarHBondContact O-CG1 3.45Å; L992-I996 PolarHBondContact O-N 3.45Å; L992-I996 VanDerWaalsContact O-N 3.14Å; F993-I996 PolarHBondContact O-N 2.77Å; H994-I996 VanDerWaalsContact C-N 3.35Å; H994-I996 PolarHBondContact O-N 2.93Å; I996-Y999 PolarHBondContact O-N 2.72Å; I996-I1000 HydrophobicContact CG2-CD1 3.73Å; I996-I1000 HydrophobicContact CG2-CG1 4.49Å; I996-I1000 WeakPolarHBondContact O-CB 3.39Å; I996-I1000 VanDerWaalsContact O-CG1 3.3Å; I996-I1000 WeakPolarHBondContact O-CG1 3.48Å; I996-I1000 PolarHBondContact O-N 2.64Å; I996-I1038 HydrophobicContact CG2-CD1 4.29Å; I996-L1055 HydrophobicContact CG2-CD2 4.18Å |
| 997 | G | 90.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 14.4 Ų | 14.4 | 5% | 0.052 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F993 H994 I1000 F1001 C1058 | F993-G997 PolarHBondContact O-N 2.66Å; H994-G997 CarbonylContact O-C 3.48Å; H994-G997 PolarHBondContact O-N 3.21Å; G997-I1000 PolarHBondContact O-N 2.75Å; G997-F1001 WeakPolarHBondContact O-CB 3.41Å; G997-F1001 PolarHBondContact O-N 3.33Å; G997-C1058 PolarHBondContact O-SG 3.22Å |
| 998 | A | 90.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.9 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | H994 L995 N1002 E1148 L1149 | H994-A998 WeakPolarHBondContact O-CB 3.31Å; H994-A998 PolarHBondContact O-N 3.05Å; L995-A998 PolarHBondContact O-N 2.97Å; A998-N1002 WeakPolarHBondContact O-CB 3.47Å; A998-N1002 PolarHBondContact O-N 2.95Å; A998-N1002 PolarHBondContact O-ND2 3.09Å; A998-E1148 HydrophobicContact CB-CB 4.18Å; A998-E1148 HydrophobicContact CB-CG 3.74Å; A998-L1149 WeakPolarHBondContact CB-O 3.45Å |
| 999 | Y | 88.5 | Confident | 83 | Confident | 34 Ų | 34 | 21.4 Ų | 21.4 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -50.8 | 173.2 | 175.6 | -94.4 | 0 | 0 | 0 | 111.3 | L924 T928 L995 I996 T1003 | L924-Y999 HydrophobicContact CB-CD1 3.71Å; L924-Y999 HydrophobicContact CB-CD2 4.35Å; L924-Y999 HydrophobicContact CB-CE1 3.52Å; L924-Y999 HydrophobicContact CB-CE2 4.2Å; L924-Y999 HydrophobicContact CB-CG 4.13Å; L924-Y999 HydrophobicContact CD1-CD1 4.05Å; L924-Y999 HydrophobicContact CD1-CD2 3.81Å; L924-Y999 HydrophobicContact CD1-CE2 4.34Å; L924-Y999 HydrophobicContact CD1-CG 3.65Å; L924-Y999 HydrophobicContact CG-CD1 4.37Å; L924-Y999 HydrophobicContact CG-CG 4.44Å; T928-Y999 HydrophobicContact CG2-CD1 4.41Å; T928-Y999 HydrophobicContact CG2-CE1 3.71Å; L995-Y999 WeakPolarHBondContact O-CB 3.44Å; L995-Y999 PolarHBondContact O-N 2.8Å; I996-Y999 PolarHBondContact O-N 2.72Å; Y999-T1003 HydrophobicContact CE2-CG2 4.41Å; Y999-T1003 VanDerWaalsContact O-CB 3.26Å; Y999-T1003 WeakPolarHBondContact O-CB 3.27Å; Y999-T1003 PolarHBondContact O-N 3.3Å; Y999-T1003 PolarHBondContact O-OG1 2.71Å |
| 1000 | I | 87.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 177.8 | -69.7 | 169.7 | 0 | 0 | 0 | 109.9 | L927 I996 G997 N1002 V1004 L1031 L1035 | L927-I1000 HydrophobicContact CB-CD1 4.38Å; L927-I1000 HydrophobicContact CD1-CD1 4.13Å; I996-I1000 HydrophobicContact CG2-CD1 3.73Å; I996-I1000 HydrophobicContact CG2-CG1 4.49Å; I996-I1000 WeakPolarHBondContact O-CB 3.39Å; I996-I1000 VanDerWaalsContact O-CG1 3.3Å; I996-I1000 WeakPolarHBondContact O-CG1 3.48Å; I996-I1000 PolarHBondContact O-N 2.64Å; G997-I1000 PolarHBondContact O-N 2.75Å; I1000-N1002 PolarHBondContact O-N 2.93Å; I1000-V1004 HydrophobicContact CG2-CB 4.45Å; I1000-V1004 HydrophobicContact CG2-CG2 4.3Å; I1000-V1004 WeakPolarHBondContact O-CA 3.39Å; I1000-V1004 WeakPolarHBondContact O-CB 3.44Å; I1000-V1004 VanDerWaalsContact O-CG2 3.3Å; I1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; I1000-V1004 PolarHBondContact O-N 3.33Å; I1000-L1031 HydrophobicContact CD1-CD1 4.33Å; I1000-L1031 HydrophobicContact CG2-CD1 3.93Å; I1000-L1031 HydrophobicContact CG2-CD2 3.83Å; I1000-L1031 HydrophobicContact CG2-CG 4.41Å; I1000-L1035 HydrophobicContact CD1-CD2 3.79Å |
| 1001 | F | 89.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | -175.6 | -164.2 | -103.1 | 0 | 0 | 0 | 112.5 | G997 L1005 I1006 R1057 A1061 L1085 Q1089 E1148 | G997-F1001 WeakPolarHBondContact O-CB 3.41Å; G997-F1001 PolarHBondContact O-N 3.33Å; F1001-L1005 HydrophobicContact CD2-CD1 3.85Å; F1001-L1005 HydrophobicContact CE2-CD1 4.31Å; F1001-L1005 CarbonylContact O-C 3.47Å; F1001-L1005 WeakPolarHBondContact O-CB 3.46Å; F1001-L1005 PolarHBondContact O-N 3.11Å; F1001-I1006 HydrophobicContact CD1-CD1 3.64Å; F1001-I1006 HydrophobicContact CE1-CD1 3.49Å; F1001-I1006 VanDerWaalsContact CE1-CD1 3.49Å; F1001-I1006 HydrophobicContact CE1-CG1 4.48Å; F1001-I1006 HydrophobicContact CZ-CD1 4.35Å; F1001-I1006 PolarHBondContact O-N 3.21Å; F1001-R1057 HydrophobicContact CD2-CG 4.16Å; F1001-R1057 HydrophobicContact CE2-CG 3.79Å; F1001-R1057 HydrophobicContact CZ-CG 4.08Å; F1001-A1061 HydrophobicContact CE2-CB 4.23Å; F1001-L1085 HydrophobicContact CE2-CD2 3.66Å; F1001-L1085 HydrophobicContact CZ-CD2 3.79Å; F1001-Q1089 HydrophobicContact CE1-CG 3.81Å; F1001-Q1089 HydrophobicContact CZ-CB 4.07Å; F1001-Q1089 HydrophobicContact CZ-CG 3.77Å; F1001-E1148 HydrophobicContact CD1-CB 4.03Å |
| 1002 | N | 87 | Confident | 76.2 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -60.2 | 176.6 | -65.1 | -28.8 | 0 | 0 | 0 | 111.3 | A998 I1000 V1004 I1006 D1007 N1147 E1148 | A998-N1002 WeakPolarHBondContact O-CB 3.47Å; A998-N1002 PolarHBondContact O-N 2.95Å; A998-N1002 PolarHBondContact O-ND2 3.09Å; I1000-N1002 PolarHBondContact O-N 2.93Å; N1002-V1004 VanDerWaalsContact C-N 3.35Å; N1002-V1004 PolarHBondContact O-N 3.4Å; N1002-I1006 PolarHBondContact O-N 3.19Å; N1002-D1007 VanDerWaalsContact C-OD2 3.31Å; N1002-D1007 WeakPolarHBondContact O-CB 3.48Å; N1002-D1007 VanDerWaalsContact O-CG 3.22Å; N1002-D1007 PolarHBondContact O-N 3.15Å; N1002-N1147 WeakPolarHBondContact OD1-CA 3.39Å; N1002-N1147 VanDerWaalsContact OD1-CB 3.23Å; N1002-N1147 WeakPolarHBondContact OD1-CB 3.3Å; N1002-E1148 PolarHBondContact ND2-O 3.36Å; N1002-E1148 PolarHBondContact OD1-N 2.77Å |
| 1003 | T | 79.2 | Confident | 74 | Confident | 51 Ų | 51 | 37.7 Ų | 37.7 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.3 | -22.2 | -167.4 | -57.3 | 0 | 0 | 0 | 0 | 114 | Y999 | Y999-T1003 HydrophobicContact CE2-CG2 4.41Å; Y999-T1003 VanDerWaalsContact O-CB 3.26Å; Y999-T1003 WeakPolarHBondContact O-CB 3.27Å; Y999-T1003 PolarHBondContact O-N 3.3Å; Y999-T1003 PolarHBondContact O-OG1 2.71Å |
| 1004 | V | 69.4 | Low | 71.5 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -109.4 | -32.6 | -173.6 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | T928 I1000 N1002 T1008 W1022 | T928-V1004 HydrophobicContact CG2-CG2 3.24Å; I1000-V1004 HydrophobicContact CG2-CB 4.45Å; I1000-V1004 HydrophobicContact CG2-CG2 4.3Å; I1000-V1004 WeakPolarHBondContact O-CA 3.39Å; I1000-V1004 WeakPolarHBondContact O-CB 3.44Å; I1000-V1004 VanDerWaalsContact O-CG2 3.3Å; I1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; I1000-V1004 PolarHBondContact O-N 3.33Å; N1002-V1004 VanDerWaalsContact C-N 3.35Å; N1002-V1004 PolarHBondContact O-N 3.4Å; V1004-T1008 WeakPolarHBondContact O-CG2 3.46Å; V1004-W1022 HydrophobicContact CG1-CB 3.38Å; V1004-W1022 VanDerWaalsContact CG1-CD1 3.46Å; V1004-W1022 HydrophobicContact CG1-CD2 3.71Å; V1004-W1022 HydrophobicContact CG1-CE3 4.41Å; V1004-W1022 HydrophobicContact CG1-CG 3.18Å |
| 1005 | L | 72.1 | Confident | 69.1 | Low | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -114.7 | -0.2 | -171.3 | -62.8 | 172.4 | 0 | 0 | 0 | 113.8 | F1001 L1023 A1061 I1065 W1092 L1093 | F1001-L1005 HydrophobicContact CD2-CD1 3.85Å; F1001-L1005 HydrophobicContact CE2-CD1 4.31Å; F1001-L1005 CarbonylContact O-C 3.47Å; F1001-L1005 WeakPolarHBondContact O-CB 3.46Å; F1001-L1005 PolarHBondContact O-N 3.11Å; L1005-L1023 HydrophobicContact CD2-CD2 3.88Å; L1005-A1061 HydrophobicContact CD1-CB 3.68Å; L1005-I1065 HydrophobicContact CD2-CD1 3.87Å; L1005-W1092 WeakPolarHBondContact O-CH2 3.5Å; L1005-W1092 WeakPolarHBondContact O-CZ3 3.22Å; L1005-L1093 HydrophobicContact CB-CD2 4.32Å; L1005-L1093 HydrophobicContact CD2-CD2 4.46Å |
| 1006 | I | 73.9 | Confident | 66.8 | Low | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | -55.5 | 179.2 | -66.3 | 164.3 | 0 | 0 | 0 | 112.7 | F1001 N1002 T1008 W1092 L1146 | F1001-I1006 HydrophobicContact CD1-CD1 3.64Å; F1001-I1006 HydrophobicContact CE1-CD1 3.49Å; F1001-I1006 VanDerWaalsContact CE1-CD1 3.49Å; F1001-I1006 HydrophobicContact CE1-CG1 4.48Å; F1001-I1006 HydrophobicContact CZ-CD1 4.35Å; F1001-I1006 PolarHBondContact O-N 3.21Å; N1002-I1006 PolarHBondContact O-N 3.19Å; I1006-T1008 PolarHBondContact O-N 3.3Å; I1006-W1092 WeakPolarHBondContact O-CZ2 3.49Å; I1006-L1146 HydrophobicContact CD1-CD1 4.13Å; I1006-L1146 HydrophobicContact CD1-CG 3.91Å; I1006-L1146 WeakPolarHBondContact CD1-O 3.4Å; I1006-L1146 HydrophobicContact CG1-CD1 4.09Å; I1006-L1146 HydrophobicContact CG1-CG 4.03Å; I1006-L1146 HydrophobicContact CG2-CD2 3.71Å; I1006-L1146 HydrophobicContact CG2-CG 3.77Å |
| 1007 | D | 65.2 | Low | 64.5 | Low | 90 Ų | 90 | 61.3 Ų | 61.3 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -70.4 | 6 | -171.2 | -59.8 | -29.3 | 0 | 0 | 0 | 113.1 | N1002 N1147 | N1002-D1007 VanDerWaalsContact C-OD2 3.31Å; N1002-D1007 WeakPolarHBondContact O-CB 3.48Å; N1002-D1007 VanDerWaalsContact O-CG 3.22Å; N1002-D1007 PolarHBondContact O-N 3.15Å; D1007-N1147 PolarHBondContact OD1-ND2 3.11Å |
| 1008 | T | 58.2 | Low | 62.4 | Low | 31 Ų | 31 | 69 Ų | 69 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -81.9 | 128.8 | 179.2 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | V1004 I1006 A1010 N1020 | V1004-T1008 WeakPolarHBondContact O-CG2 3.46Å; I1006-T1008 PolarHBondContact O-N 3.3Å; T1008-A1010 PolarHBondContact O-N 2.99Å; T1008-A1010 VanDerWaalsContact O-N 3.08Å; T1008-N1020 WeakPolarHBondContact CB-ND2 3.42Å; T1008-N1020 VanDerWaalsContact CG2-ND2 3.34Å; T1008-N1020 WeakPolarHBondContact CG2-ND2 3.49Å; T1008-N1020 PolarHBondContact OG1-ND2 2.67Å; T1008-N1020 VanDerWaalsContact OG1-ND2 3.12Å |
| 1009 | E | 49 | Very low | 60.7 | Low | 151 Ų | 151 | 71.1 Ų | 71.1 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | trans | -42.9 | 112.5 | -170.9 | -63.5 | -173.9 | 156.5 | 0 | 0 | 113.7 | K1011 | E1009-K1011 PolarHBondContact O-N 2.99Å; E1009-K1011 WeakPolarHBondContact OE2-CE 3.44Å; E1009-K1011 IonicContact OE2-NZ 2.85Å; E1009-K1011 PolarHBondContact OE2-NZ 2.88Å | ||
| 1010 | A | 44.4 | Very low | 59.7 | Low | 72 Ų | 72 | 71.4 Ų | 71.4 | 60% | 0.595 | 40% | 0.395 | S | S | * | . | trans | -71.6 | 70.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1008 | T1008-A1010 PolarHBondContact O-N 2.99Å; T1008-A1010 VanDerWaalsContact O-N 3.08Å | ||
| 1011 | K | 47.8 | Very low | 59.3 | Low | 111 Ų | 111 | 73.2 Ų | 73.2 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | trans | -79 | 128.8 | 168.5 | -68.2 | 167.2 | -171.3 | 155.7 | 0 | 108 | E1009 V1015 | E1009-K1011 PolarHBondContact O-N 2.99Å; E1009-K1011 WeakPolarHBondContact OE2-CE 3.44Å; E1009-K1011 IonicContact OE2-NZ 2.85Å; E1009-K1011 PolarHBondContact OE2-NZ 2.88Å; K1011-V1015 HydrophobicContact CB-CB 4.48Å | ||
| 1012 | P | 45.1 | Very low | 59 | Low | 99 Ų | 99 | 73.9 Ų | 73.9 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | trans | -65.2 | 156.5 | -177.4 | 27.2 | -34.9 | 0 | 0 | 0 | 111.6 | N1014 V1015 | P1012-N1014 PolarHBondContact O-N 3.01Å; P1012-V1015 PolarHBondContact O-N 3.42Å | ||
| 1013 | R | 47.9 | Very low | 58.9 | Low | 100 Ų | 100 | 74 Ų | 74 | 38% | 0.377 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.6 | -20.4 | -169.4 | -77.2 | -164.3 | -177.5 | 104 | -16.1 | 119 | V1103 D1105 I1108 | R1013-V1103 PolarHBondContact NH2-O 2.97Å; R1013-D1105 IonicContact CZ-OD1 2.71Å; R1013-D1105 IonicContact CZ-OD2 2.82Å; R1013-D1105 VanDerWaalsContact NH1-CG 3.28Å; R1013-D1105 IonicContact NH1-OD1 2.76Å; R1013-D1105 PolarHBondContact NH1-OD1 2.86Å; R1013-D1105 IonicContact NH1-OD2 3.18Å; R1013-D1105 PolarHBondContact NH1-OD2 2.92Å; R1013-D1105 IonicContact NH2-OD1 2.73Å; R1013-D1105 PolarHBondContact NH2-OD1 2.79Å; R1013-D1105 IonicContact NH2-OD2 3.18Å; R1013-I1108 VanDerWaalsContact NH2-CD1 3.32Å |
| 1014 | N | 42.4 | Very low | 59.1 | Low | 151 Ų | 151 | 72.6 Ų | 72.6 | 81% | 0.807 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 4.6 | -166.9 | -60 | -7.1 | 0 | 0 | 0 | 114.3 | P1012 L1016 | P1012-N1014 PolarHBondContact O-N 3.01Å; N1014-L1016 PolarHBondContact O-N 2.76Å |
| 1015 | V | 43.1 | Very low | 59.9 | Low | 77 Ų | 77 | 76.4 Ų | 76.4 | 47% | 0.467 | 41% | 0.413 | S | S | . | . | trans | -94.3 | 91.1 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 110 | K1011 P1012 N1017 | K1011-V1015 HydrophobicContact CB-CB 4.48Å; P1012-V1015 PolarHBondContact O-N 3.42Å; V1015-N1017 PolarHBondContact O-N 2.83Å; V1015-N1017 VanDerWaalsContact O-N 3.16Å | ||
| 1016 | L | 42.6 | Very low | 60.5 | Low | 162 Ų | 162 | 80.8 Ų | 80.8 | 85% | 0.848 | 44% | 0.436 | S | S | * | . | trans | -78.3 | 15.6 | -177.9 | -76.2 | 171.1 | 0 | 0 | 0 | 115.2 | N1014 | N1014-L1016 PolarHBondContact O-N 2.76Š| ||
| 1017 | N | 40.6 | Very low | 61.1 | Low | 127 Ų | 127 | 80.1 Ų | 80.1 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -99.2 | 118.9 | 175.5 | -68.2 | 2 | 0 | 0 | 0 | 109.6 | V1015 | V1015-N1017 PolarHBondContact O-N 2.83Å; V1015-N1017 VanDerWaalsContact O-N 3.16Å |
| 1018 | D | 46.8 | Very low | 62.3 | Low | 165 Ų | 165 | 75.8 Ų | 75.8 | 88% | 0.882 | 41% | 0.41 | S | S | * | . | S | Bend | trans | 52.7 | 53.8 | 177.6 | -56.9 | -25 | 0 | 0 | 0 | 114.8 | ||
| 1019 | G | 55.1 | Low | 63.7 | Low | 47 Ų | 47 | 76.4 Ų | 76.4 | 49% | 0.485 | 42% | 0.415 | S | S | . | . | trans | -56.4 | 138.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1021 | G1019-L1021 PolarHBondContact O-N 2.6Š| ||
| 1020 | N | 67.9 | Low | 65.5 | Low | 39 Ų | 39 | 71.1 Ų | 71.1 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -60.7 | 105.8 | -175.4 | 175.5 | 15.8 | 0 | 0 | 0 | 111.2 | T1008 W1022 L1023 | T1008-N1020 WeakPolarHBondContact CB-ND2 3.42Å; T1008-N1020 VanDerWaalsContact CG2-ND2 3.34Å; T1008-N1020 WeakPolarHBondContact CG2-ND2 3.49Å; T1008-N1020 PolarHBondContact OG1-ND2 2.67Å; T1008-N1020 VanDerWaalsContact OG1-ND2 3.12Å; N1020-W1022 PolarHBondContact O-N 2.91Å; N1020-W1022 PolarHBondContact OD1-N 2.85Å; N1020-L1023 HydrophobicContact CB-CD1 4.48Å; N1020-L1023 PolarHBondContact O-N 3.27Å | ||
| 1021 | L | 78 | Confident | 67.7 | Low | 39 Ų | 39 | 67.8 Ų | 67.8 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -43.9 | -40 | -179.4 | 174 | 68.1 | 0 | 0 | 0 | 112.8 | P930 G1019 L1023 T1024 L1026 G1027 | P930-L1021 HydrophobicContact CB-CD2 3.55Å; P930-L1021 WeakPolarHBondContact O-CD2 3.4Å; G1019-L1021 PolarHBondContact O-N 2.6Å; L1021-L1023 VanDerWaalsContact C-N 3.28Å; L1021-L1023 PolarHBondContact O-N 3.46Å; L1021-T1024 VanDerWaalsContact O-CB 3.3Å; L1021-T1024 WeakPolarHBondContact O-CB 3.4Å; L1021-T1024 WeakPolarHBondContact O-CG2 3.08Å; L1021-T1024 PolarHBondContact O-N 2.93Å; L1021-T1024 PolarHBondContact O-OG1 3Å; L1021-L1026 HydrophobicContact CD1-CD2 4.29Å; L1021-L1026 HydrophobicContact CD1-CG 4.41Å; L1021-G1027 VanDerWaalsContact O-CA 3.29Å; L1021-G1027 WeakPolarHBondContact O-CA 3.49Å; L1021-G1027 PolarHBondContact O-N 3.33Å |
| 1022 | W | 83.8 | Confident | 69.7 | Low | 18 Ų | 18 | 64 Ų | 64 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -72.3 | -18.7 | -172.4 | -59.2 | 108.4 | 0 | 0 | 0 | 114.6 | T928 Y929 V1004 N1020 T1024 G1027 R1030 L1031 | T928-W1022 VanDerWaalsContact O-CZ2 3.25Å; T928-W1022 WeakPolarHBondContact O-CZ2 3.28Å; T928-W1022 PolarHBondContact O-NE1 2.87Å; Y929-W1022 WeakPolarHBondContact O-CZ2 3.47Å; V1004-W1022 HydrophobicContact CG1-CB 3.38Å; V1004-W1022 VanDerWaalsContact CG1-CD1 3.46Å; V1004-W1022 HydrophobicContact CG1-CD2 3.71Å; V1004-W1022 HydrophobicContact CG1-CE3 4.41Å; V1004-W1022 HydrophobicContact CG1-CG 3.18Å; N1020-W1022 PolarHBondContact O-N 2.91Å; N1020-W1022 PolarHBondContact OD1-N 2.85Å; W1022-T1024 VanDerWaalsContact C-N 3.32Å; W1022-G1027 VanDerWaalsContact CE3-O 3.28Å; W1022-G1027 VanDerWaalsContact CZ3-O 3.26Å; W1022-G1027 WeakPolarHBondContact CZ3-O 3.43Å; W1022-R1030 HydrophobicContact CH2-CB 4.23Å; W1022-R1030 HydrophobicContact CZ3-CB 3.86Å; W1022-L1031 HydrophobicContact CE3-CB 3.9Å; W1022-L1031 HydrophobicContact CZ3-CB 3.81Å |
| 1023 | L | 84.1 | Confident | 71.7 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -91.7 | 6.7 | 171.6 | -60.1 | 175.2 | 0 | 0 | 0 | 112.7 | L1005 N1020 L1021 I1065 W1092 L1093 H1096 | L1005-L1023 HydrophobicContact CD2-CD2 3.88Å; N1020-L1023 HydrophobicContact CB-CD1 4.48Å; N1020-L1023 PolarHBondContact O-N 3.27Å; L1021-L1023 VanDerWaalsContact C-N 3.28Å; L1021-L1023 PolarHBondContact O-N 3.46Å; L1023-I1065 HydrophobicContact CD2-CD1 4.12Å; L1023-I1065 WeakPolarHBondContact O-CG2 3.26Å; L1023-W1092 HydrophobicContact CD1-CH2 4.24Å; L1023-W1092 HydrophobicContact CD1-CZ3 4.11Å; L1023-L1093 HydrophobicContact CD2-CD2 3.92Å; L1023-H1096 HydrophobicContact CD1-CB 3.76Å |
| 1024 | T | 84.8 | Confident | 73.7 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -91.3 | 156.8 | 166.5 | 76.6 | 0 | 0 | 0 | 0 | 110.9 | L1021 W1022 L1026 G1027 A1028 I1065 D1099 | L1021-T1024 VanDerWaalsContact O-CB 3.3Å; L1021-T1024 WeakPolarHBondContact O-CB 3.4Å; L1021-T1024 WeakPolarHBondContact O-CG2 3.08Å; L1021-T1024 PolarHBondContact O-N 2.93Å; L1021-T1024 PolarHBondContact O-OG1 3Å; W1022-T1024 VanDerWaalsContact C-N 3.32Å; T1024-L1026 PolarHBondContact O-N 2.85Å; T1024-L1026 PolarHBondContact OG1-N 3.22Å; T1024-G1027 PolarHBondContact O-N 3.01Å; T1024-G1027 PolarHBondContact OG1-N 3Å; T1024-A1028 WeakPolarHBondContact O-CB 3.46Å; T1024-A1028 PolarHBondContact O-N 2.78Å; T1024-I1065 VanDerWaalsContact C-CG2 3.5Å; T1024-I1065 WeakPolarHBondContact O-CG2 3.27Å; T1024-D1099 VanDerWaalsContact CA-OD1 3.28Å; T1024-D1099 WeakPolarHBondContact CA-OD1 3.27Å; T1024-D1099 WeakPolarHBondContact CB-OD1 3.19Å; T1024-D1099 VanDerWaalsContact CG2-OD1 3.25Å; T1024-D1099 WeakPolarHBondContact CG2-OD1 3.4Å |
| 1025 | R | 86.3 | Confident | 76 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -31.3 | 171.8 | -68.9 | 175.1 | 160.5 | 170.2 | -5.7 | 112.1 | S1029 I1065 A1067 D1099 | R1025-S1029 VanDerWaalsContact O-CB 3.27Å; R1025-S1029 WeakPolarHBondContact O-CB 3.16Å; R1025-S1029 PolarHBondContact O-N 2.96Å; R1025-S1029 PolarHBondContact O-OG 3.05Å; R1025-I1065 WeakPolarHBondContact CG-O 3.41Å; R1025-A1067 PolarHBondContact NH2-O 3.25Å; R1025-D1099 VanDerWaalsContact CB-OD2 3.25Å; R1025-D1099 WeakPolarHBondContact CB-OD2 3.4Å; R1025-D1099 WeakPolarHBondContact CG-OD2 3.45Å; R1025-D1099 PolarHBondContact N-OD2 3.14Å |
| 1026 | L | 84 | Confident | 78.2 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.3 | -49.1 | 176.3 | 179.2 | 61.5 | 0 | 0 | 0 | 111.3 | L1021 T1024 S1029 R1030 | L1021-L1026 HydrophobicContact CD1-CD2 4.29Å; L1021-L1026 HydrophobicContact CD1-CG 4.41Å; T1024-L1026 PolarHBondContact O-N 2.85Å; T1024-L1026 PolarHBondContact OG1-N 3.22Å; L1026-S1029 WeakPolarHBondContact O-CB 3.45Å; L1026-S1029 PolarHBondContact O-N 2.95Å; L1026-R1030 WeakPolarHBondContact O-CG 3.36Å; L1026-R1030 PolarHBondContact O-N 2.88Å |
| 1027 | G | 86.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1021 W1022 T1024 S1029 R1030 L1031 | L1021-G1027 VanDerWaalsContact O-CA 3.29Å; L1021-G1027 WeakPolarHBondContact O-CA 3.49Å; L1021-G1027 PolarHBondContact O-N 3.33Å; W1022-G1027 VanDerWaalsContact CE3-O 3.28Å; W1022-G1027 VanDerWaalsContact CZ3-O 3.26Å; W1022-G1027 WeakPolarHBondContact CZ3-O 3.43Å; T1024-G1027 PolarHBondContact O-N 3.01Å; T1024-G1027 PolarHBondContact OG1-N 3Å; G1027-S1029 VanDerWaalsContact C-N 3.26Å; G1027-S1029 PolarHBondContact O-N 3.36Å; G1027-R1030 PolarHBondContact O-N 3.03Å; G1027-R1030 VanDerWaalsContact O-N 3.17Å; G1027-L1031 WeakPolarHBondContact O-CB 3.24Å; G1027-L1031 PolarHBondContact O-N 3.11Å |
| 1028 | A | 89.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -35.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1024 N1032 C1062 I1065 M1066 | T1024-A1028 WeakPolarHBondContact O-CB 3.46Å; T1024-A1028 PolarHBondContact O-N 2.78Å; A1028-N1032 WeakPolarHBondContact O-CB 3.4Å; A1028-N1032 PolarHBondContact O-N 3.2Å; A1028-C1062 HydrophobicContact CB-CB 4.34Å; A1028-I1065 HydrophobicContact CB-CB 3.8Å; A1028-I1065 HydrophobicContact CB-CD1 4.24Å; A1028-I1065 HydrophobicContact CB-CG2 3.63Å; A1028-M1066 HydrophobicContact CB-CG 3.87Å |
| 1029 | S | 87.7 | Confident | 85 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.9 | -45 | 173 | -63 | 0 | 0 | 0 | 0 | 112.3 | R1025 L1026 G1027 N1032 R1033 | R1025-S1029 VanDerWaalsContact O-CB 3.27Å; R1025-S1029 WeakPolarHBondContact O-CB 3.16Å; R1025-S1029 PolarHBondContact O-N 2.96Å; R1025-S1029 PolarHBondContact O-OG 3.05Å; L1026-S1029 WeakPolarHBondContact O-CB 3.45Å; L1026-S1029 PolarHBondContact O-N 2.95Å; G1027-S1029 VanDerWaalsContact C-N 3.26Å; G1027-S1029 PolarHBondContact O-N 3.36Å; S1029-N1032 PolarHBondContact O-N 2.8Å; S1029-R1033 WeakPolarHBondContact O-CG 3.21Å; S1029-R1033 PolarHBondContact O-N 2.85Å |
| 1030 | R | 87.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 36 Ų | 36 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 173.7 | -74 | 178 | 178 | 151.7 | 11.9 | 110.8 | P930 D932 W1022 L1026 G1027 R1033 R1034 | P930-R1030 PolarHBondContact O-NH1 2.86Å; D932-R1030 VanDerWaalsContact CG-NH2 3.33Å; D932-R1030 IonicContact OD1-CZ 3.19Å; D932-R1030 IonicContact OD1-NE 2.72Å; D932-R1030 PolarHBondContact OD1-NE 3.09Å; D932-R1030 IonicContact OD1-NH2 3.78Å; D932-R1030 IonicContact OD2-CZ 2.72Å; D932-R1030 IonicContact OD2-NE 3.78Å; D932-R1030 PolarHBondContact OD2-NE 3.26Å; D932-R1030 IonicContact OD2-NH2 2.74Å; D932-R1030 PolarHBondContact OD2-NH2 3.42Å; W1022-R1030 HydrophobicContact CH2-CB 4.23Å; W1022-R1030 HydrophobicContact CZ3-CB 3.86Å; L1026-R1030 WeakPolarHBondContact O-CG 3.36Å; L1026-R1030 PolarHBondContact O-N 2.88Å; G1027-R1030 PolarHBondContact O-N 3.03Å; G1027-R1030 VanDerWaalsContact O-N 3.17Å; R1030-R1033 PolarHBondContact O-N 2.82Å; R1030-R1034 WeakPolarHBondContact O-CG 3.41Å; R1030-R1034 PolarHBondContact O-N 2.8Å |
| 1031 | L | 89.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | -179.4 | -175.4 | 56.5 | 0 | 0 | 0 | 111.7 | I1000 W1022 G1027 R1034 L1035 | I1000-L1031 HydrophobicContact CD1-CD1 4.33Å; I1000-L1031 HydrophobicContact CG2-CD1 3.93Å; I1000-L1031 HydrophobicContact CG2-CD2 3.83Å; I1000-L1031 HydrophobicContact CG2-CG 4.41Å; W1022-L1031 HydrophobicContact CE3-CB 3.9Å; W1022-L1031 HydrophobicContact CZ3-CB 3.81Å; G1027-L1031 WeakPolarHBondContact O-CB 3.24Å; G1027-L1031 PolarHBondContact O-N 3.11Å; L1031-R1034 WeakPolarHBondContact O-CB 3.41Å; L1031-R1034 PolarHBondContact O-N 2.94Å; L1031-L1035 HydrophobicContact CD1-CG 4.44Å; L1031-L1035 HydrophobicContact CG-CD1 4.14Å; L1031-L1035 VanDerWaalsContact O-CG 3.31Å; L1031-L1035 WeakPolarHBondContact O-CG 2.99Å; L1031-L1035 PolarHBondContact O-N 3.09Å |
| 1032 | N | 90.8 | Very high | 88.7 | Confident | 32 Ų | 32 | 32.3 Ų | 32.3 | 17% | 0.171 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 177.3 | -169.1 | 80 | 0 | 0 | 0 | 112.1 | A1028 S1029 R1034 L1035 D1036 C1062 M1066 | A1028-N1032 WeakPolarHBondContact O-CB 3.4Å; A1028-N1032 PolarHBondContact O-N 3.2Å; S1029-N1032 PolarHBondContact O-N 2.8Å; N1032-R1034 VanDerWaalsContact C-N 3.26Å; N1032-R1034 PolarHBondContact O-N 2.9Å; N1032-L1035 PolarHBondContact O-N 2.71Å; N1032-D1036 PolarHBondContact ND2-OD2 2.91Å; N1032-D1036 WeakPolarHBondContact O-CB 3.47Å; N1032-D1036 PolarHBondContact O-N 3.48Å; N1032-C1062 HydrophobicContact CB-CB 4.27Å; N1032-M1066 HydrophobicContact CB-CE 4.45Å |
| 1033 | R | 87.7 | Confident | 89 | Confident | 126 Ų | 126 | 37.2 Ų | 37.2 | 48% | 0.475 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -55.8 | -42.5 | 171.1 | -73 | 176.6 | -171.6 | 172.5 | 2.7 | 111.6 | S1029 R1030 D1036 R1037 | S1029-R1033 WeakPolarHBondContact O-CG 3.21Å; S1029-R1033 PolarHBondContact O-N 2.85Å; R1030-R1033 PolarHBondContact O-N 2.82Å; R1033-D1036 PolarHBondContact O-N 3.04Å; R1033-R1037 PolarHBondContact O-N 2.84Å |
| 1034 | R | 88 | Confident | 89.2 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 177.2 | -77.5 | -171.5 | 179.9 | 150.1 | 10.6 | 113.2 | C926 L927 Y929 G931 D934 M961 R1030 L1031 N1032 D1036 R1037 I1038 | C926-R1034 PolarHBondContact O-NH1 2.76Å; L927-R1034 VanDerWaalsContact O-CD 3.23Å; L927-R1034 WeakPolarHBondContact O-CD 3.39Å; L927-R1034 PolarHBondContact O-NH1 2.92Å; Y929-R1034 VanDerWaalsContact O-CZ 3.29Å; Y929-R1034 PolarHBondContact O-NH1 2.73Å; Y929-R1034 PolarHBondContact O-NH2 2.71Å; G931-R1034 PolarHBondContact O-NH2 3.06Å; G931-R1034 VanDerWaalsContact O-NH2 3.08Å; D934-R1034 IonicContact OD1-NE 3.76Å; D934-R1034 IonicContact OD2-CZ 3.07Å; D934-R1034 IonicContact OD2-NE 3.19Å; D934-R1034 PolarHBondContact OD2-NE 2.93Å; D934-R1034 IonicContact OD2-NH2 3.85Å; D934-R1034 PolarHBondContact OD2-NH2 3.26Å; M961-R1034 HydrophobicContact CE-CB 3.45Å; M961-R1034 VanDerWaalsContact CE-CB 3.45Å; M961-R1034 HydrophobicContact CE-CG 3.53Å; R1030-R1034 WeakPolarHBondContact O-CG 3.41Å; R1030-R1034 PolarHBondContact O-N 2.8Å; L1031-R1034 WeakPolarHBondContact O-CB 3.41Å; L1031-R1034 PolarHBondContact O-N 2.94Å; N1032-R1034 VanDerWaalsContact C-N 3.26Å; N1032-R1034 PolarHBondContact O-N 2.9Å; R1034-D1036 PolarHBondContact O-N 3.26Å; R1034-R1037 WeakPolarHBondContact O-CB 3.06Å; R1034-R1037 PolarHBondContact O-N 3.29Å; R1034-I1038 PolarHBondContact O-N 3.25Å |
| 1035 | L | 91.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -37.9 | 172.8 | -67.3 | 167.5 | 0 | 0 | 0 | 110.7 | I1000 L1031 N1032 I1038 K1039 L1055 C1058 | I1000-L1035 HydrophobicContact CD1-CD2 3.79Å; L1031-L1035 HydrophobicContact CD1-CG 4.44Å; L1031-L1035 HydrophobicContact CG-CD1 4.14Å; L1031-L1035 VanDerWaalsContact O-CG 3.31Å; L1031-L1035 WeakPolarHBondContact O-CG 2.99Å; L1031-L1035 PolarHBondContact O-N 3.09Å; N1032-L1035 PolarHBondContact O-N 2.71Å; L1035-I1038 WeakPolarHBondContact O-CB 3.22Å; L1035-I1038 PolarHBondContact O-N 3.08Å; L1035-K1039 WeakPolarHBondContact O-CG 3.39Å; L1035-K1039 PolarHBondContact O-N 3.35Å; L1035-L1055 HydrophobicContact CD2-CB 4.47Å; L1035-L1055 HydrophobicContact CD2-CD1 3.91Å; L1035-L1055 HydrophobicContact CD2-CD2 4.32Å; L1035-L1055 HydrophobicContact CD2-CG 4.47Å; L1035-C1058 HydrophobicContact CD1-CB 3.92Å |
| 1036 | D | 90.1 | Very high | 89.6 | Confident | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.193 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.4 | -27.5 | 178.6 | -65.1 | -13 | 0 | 0 | 0 | 113.3 | N1032 R1033 R1034 I1038 K1039 R1040 | N1032-D1036 PolarHBondContact ND2-OD2 2.91Å; N1032-D1036 WeakPolarHBondContact O-CB 3.47Å; N1032-D1036 PolarHBondContact O-N 3.48Å; R1033-D1036 PolarHBondContact O-N 3.04Å; R1034-D1036 PolarHBondContact O-N 3.26Å; D1036-I1038 VanDerWaalsContact C-N 3.35Å; D1036-K1039 PolarHBondContact O-N 2.94Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.45Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.32Å; D1036-K1039 IonicContact OD1-NZ 3.03Å; D1036-K1039 PolarHBondContact OD1-NZ 2.89Å; D1036-R1040 WeakPolarHBondContact O-CB 3.19Å; D1036-R1040 WeakPolarHBondContact O-CG 3.25Å; D1036-R1040 PolarHBondContact O-N 3.07Å; D1036-R1040 PolarHBondContact O-NH1 3.41Å |
| 1037 | R | 88 | Confident | 90.1 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 166.2 | -77.4 | 177.8 | 72 | -179.9 | 7.4 | 110.3 | D934 D937 M961 R1033 R1034 R1040 W1041 | D934-R1037 IonicContact OD1-CZ 3.23Å; D934-R1037 IonicContact OD1-NH1 3.24Å; D934-R1037 PolarHBondContact OD1-NH1 3.33Å; D937-R1037 IonicContact OD2-CZ 3.18Å; D937-R1037 IonicContact OD2-NH1 3.81Å; D937-R1037 PolarHBondContact OD2-NH1 2.9Å; D937-R1037 IonicContact OD2-NH2 3.84Å; D937-R1037 PolarHBondContact OD2-NH2 3Å; M961-R1037 HydrophobicContact CE-CB 4.44Å; M961-R1037 HydrophobicContact SD-CB 3.47Å; M961-R1037 WeakPolarHBondContact SD-CB 3.13Å; M961-R1037 VanDerWaalsContact SD-CD 3.57Å; M961-R1037 HydrophobicContact SD-CG 4.09Å; M961-R1037 PolarHBondContact SD-NE 2.87Å; R1033-R1037 PolarHBondContact O-N 2.84Å; R1034-R1037 WeakPolarHBondContact O-CB 3.06Å; R1034-R1037 PolarHBondContact O-N 3.29Å; R1037-R1040 PolarHBondContact O-N 2.96Å; R1037-W1041 PolarHBondContact O-N 3.07Å; R1037-W1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | I | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -44.6 | 176.4 | -57.1 | 173.2 | 0 | 0 | 0 | 111.2 | L927 L965 F993 I996 R1034 L1035 D1036 R1040 W1041 A1042 V1051 L1055 | L927-I1038 HydrophobicContact CD1-CD1 4.47Å; L927-I1038 HydrophobicContact CD2-CD1 4.07Å; L965-I1038 HydrophobicContact CD2-CG1 4.14Å; F993-I1038 HydrophobicContact CD1-CG2 4.34Å; F993-I1038 HydrophobicContact CE1-CG2 4.07Å; I996-I1038 HydrophobicContact CG2-CD1 4.29Å; R1034-I1038 PolarHBondContact O-N 3.25Å; L1035-I1038 WeakPolarHBondContact O-CB 3.22Å; L1035-I1038 PolarHBondContact O-N 3.08Å; D1036-I1038 VanDerWaalsContact C-N 3.35Å; I1038-R1040 PolarHBondContact O-N 3.01Å; I1038-W1041 PolarHBondContact O-N 3.33Å; I1038-A1042 WeakPolarHBondContact O-CB 3.33Å; I1038-A1042 PolarHBondContact O-N 3.33Å; I1038-V1051 HydrophobicContact CG2-CG2 4.18Å; I1038-L1055 HydrophobicContact CG2-CD1 4.3Å |
| 1039 | K | 92.5 | Very high | 90.3 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.6 | -66.7 | 170.2 | -159.3 | 160 | 0 | 112.2 | L1035 D1036 W1041 A1042 H1043 V1051 T1059 | L1035-K1039 WeakPolarHBondContact O-CG 3.39Å; L1035-K1039 PolarHBondContact O-N 3.35Å; D1036-K1039 PolarHBondContact O-N 2.94Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.45Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.32Å; D1036-K1039 IonicContact OD1-NZ 3.03Å; D1036-K1039 PolarHBondContact OD1-NZ 2.89Å; K1039-W1041 PolarHBondContact O-N 2.93Å; K1039-A1042 PolarHBondContact O-N 2.83Å; K1039-H1043 WeakPolarHBondContact O-CB 3.36Å; K1039-H1043 PolarHBondContact O-N 3.26Å; K1039-V1051 HydrophobicContact CB-CG1 4.4Å; K1039-V1051 HydrophobicContact CG-CG1 4.23Å; K1039-V1051 HydrophobicContact CG-CG2 4Å; K1039-T1059 PolarHBondContact NZ-OG1 3.47Å |
| 1040 | R | 90.4 | Very high | 90.4 | Very high | 127 Ų | 127 | 45.1 Ų | 45.1 | 48% | 0.479 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.9 | -73.6 | 175 | -164 | 105.6 | 3.3 | 112.2 | D1036 R1037 I1038 R1044 | D1036-R1040 WeakPolarHBondContact O-CB 3.19Å; D1036-R1040 WeakPolarHBondContact O-CG 3.25Å; D1036-R1040 PolarHBondContact O-N 3.07Å; D1036-R1040 PolarHBondContact O-NH1 3.41Å; R1037-R1040 PolarHBondContact O-N 2.96Å; I1038-R1040 PolarHBondContact O-N 3.01Å; R1040-R1044 WeakPolarHBondContact O-CG 3.44Å; R1040-R1044 PolarHBondContact O-N 2.71Å; R1040-R1044 VanDerWaalsContact O-N 3.14Å; R1040-R1044 PolarHBondContact O-NH1 3.28Å |
| 1041 | W | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 173 | 175.8 | 94.3 | 0 | 0 | 0 | 110.9 | L965 F968 T969 M972 Y989 F993 R1037 I1038 K1039 H1043 R1044 Q1045 L1047 | L965-W1041 HydrophobicContact CD2-CB 3.94Å; L965-W1041 HydrophobicContact CD2-CG 4.11Å; F968-W1041 VanDerWaalsContact C-CZ2 3.49Å; F968-W1041 HydrophobicContact CB-CD2 4.47Å; F968-W1041 HydrophobicContact CB-CE3 4.45Å; F968-W1041 HydrophobicContact CB-CH2 3.59Å; F968-W1041 HydrophobicContact CB-CZ2 3.52Å; F968-W1041 HydrophobicContact CB-CZ3 4.04Å; F968-W1041 HydrophobicContact CD2-CE3 4.29Å; F968-W1041 HydrophobicContact CD2-CZ3 4.18Å; F968-W1041 HydrophobicContact CG-CH2 4.31Å; F968-W1041 HydrophobicContact CG-CZ3 4.37Å; T969-W1041 PolarHBondContact OG1-NE1 3.42Å; M972-W1041 HydrophobicContact CG-CH2 3.57Å; M972-W1041 HydrophobicContact CG-CZ2 3.72Å; M972-W1041 HydrophobicContact SD-CH2 4.48Å; Y989-W1041 HydrophobicContact CD1-CH2 4.34Å; Y989-W1041 HydrophobicContact CD1-CZ3 4.28Å; Y989-W1041 AromaticContact CE1-CH2 3.64Å; Y989-W1041 HydrophobicContact CE1-CH2 3.64Å; Y989-W1041 AromaticContact CE1-CZ3 3.98Å; Y989-W1041 HydrophobicContact CE1-CZ3 3.98Å; F993-W1041 HydrophobicContact CE1-CZ3 4.46Å; F993-W1041 HydrophobicContact CZ-CZ3 4.13Å; R1037-W1041 PolarHBondContact O-N 3.07Å; R1037-W1041 VanDerWaalsContact O-N 3.08Å; I1038-W1041 PolarHBondContact O-N 3.33Å; K1039-W1041 PolarHBondContact O-N 2.93Å; W1041-H1043 PolarHBondContact O-N 2.79Å; W1041-R1044 WeakPolarHBondContact O-CB 3.39Å; W1041-R1044 PolarHBondContact O-N 3.22Å; W1041-R1044 VanDerWaalsContact O-N 3.08Å; W1041-Q1045 HydrophobicContact CD2-CG 4.12Å; W1041-Q1045 HydrophobicContact CE3-CG 4.3Å; W1041-Q1045 HydrophobicContact CH2-CB 4.45Å; W1041-Q1045 HydrophobicContact CH2-CG 3.68Å; W1041-Q1045 HydrophobicContact CZ2-CG 3.53Å; W1041-Q1045 HydrophobicContact CZ3-CG 4.09Å; W1041-Q1045 WeakPolarHBondContact O-CG 3.35Å; W1041-Q1045 PolarHBondContact O-N 3.4Å; W1041-L1047 HydrophobicContact CH2-CD1 4.24Å; W1041-L1047 HydrophobicContact CZ3-CD1 4.01Å |
| 1042 | A | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F993 I1038 K1039 R1044 Q1045 G1046 L1047 V1051 | F993-A1042 HydrophobicContact CE2-CB 4.38Å; F993-A1042 HydrophobicContact CZ-CB 3.82Å; I1038-A1042 WeakPolarHBondContact O-CB 3.33Å; I1038-A1042 PolarHBondContact O-N 3.33Å; K1039-A1042 PolarHBondContact O-N 2.83Å; A1042-R1044 PolarHBondContact O-N 2.82Å; A1042-Q1045 CarbonylContact O-C 3.54Å; A1042-Q1045 WeakPolarHBondContact O-CA 3.18Å; A1042-Q1045 PolarHBondContact O-N 3.33Å; A1042-G1046 PolarHBondContact O-N 3.21Å; A1042-G1046 VanDerWaalsContact O-N 3.12Å; A1042-L1047 HydrophobicContact CB-CB 4Å; A1042-L1047 WeakPolarHBondContact O-CB 3.42Å; A1042-L1047 PolarHBondContact O-N 2.95Å; A1042-V1051 HydrophobicContact CB-CB 3.77Å; A1042-V1051 HydrophobicContact CB-CG1 3.53Å; A1042-V1051 HydrophobicContact CB-CG2 4.2Å |
| 1043 | H | 90.6 | Very high | 90.5 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 56% | 0.56 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.8 | -43.9 | 171.8 | 178.4 | -71.9 | 0 | 0 | 0 | 111.7 | K1039 W1041 Q1045 G1046 E1048 | K1039-H1043 WeakPolarHBondContact O-CB 3.36Å; K1039-H1043 PolarHBondContact O-N 3.26Å; W1041-H1043 PolarHBondContact O-N 2.79Å; H1043-Q1045 PolarHBondContact O-N 3Å; H1043-Q1045 VanDerWaalsContact O-N 3.15Å; H1043-G1046 PolarHBondContact O-N 3.31Å; H1043-G1046 VanDerWaalsContact O-N 3.08Å; H1043-E1048 IonicContact CD2-OE2 3.57Å; H1043-E1048 PolarHBondContact CD2-OE2 3.09Å; H1043-E1048 VanDerWaalsContact CD2-OE2 3.29Å; H1043-E1048 IonicContact NE2-OE2 2.85Å |
| 1044 | R | 88.3 | Confident | 90.6 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.4 | -25.1 | 172.4 | -70.5 | -165.6 | -62.6 | -77.9 | 13.4 | 113.3 | D943 R1040 W1041 A1042 | D943-R1044 IonicContact OD1-CZ 2.76Å; D943-R1044 IonicContact OD1-NH2 2.81Å; D943-R1044 PolarHBondContact OD1-NH2 3.06Å; D943-R1044 IonicContact OD2-CZ 3.58Å; D943-R1044 IonicContact OD2-NE 2.81Å; D943-R1044 PolarHBondContact OD2-NE 3.44Å; D943-R1044 IonicContact OD2-NH2 3.68Å; D943-R1044 PolarHBondContact OD2-NH2 3.35Å; R1040-R1044 WeakPolarHBondContact O-CG 3.44Å; R1040-R1044 PolarHBondContact O-N 2.71Å; R1040-R1044 VanDerWaalsContact O-N 3.14Å; R1040-R1044 PolarHBondContact O-NH1 3.28Å; W1041-R1044 WeakPolarHBondContact O-CB 3.39Å; W1041-R1044 PolarHBondContact O-N 3.22Å; W1041-R1044 VanDerWaalsContact O-N 3.08Å; A1042-R1044 PolarHBondContact O-N 2.82Å |
| 1045 | Q | 90.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -2.5 | 178 | -53.4 | -50.1 | -29.6 | 0 | 0 | 114.8 | M972 R976 W1041 A1042 H1043 L1047 | M972-Q1045 HydrophobicContact CE-CB 4.32Å; M972-Q1045 HydrophobicContact CG-CG 4.22Å; R976-Q1045 VanDerWaalsContact CZ-OE1 3.27Å; W1041-Q1045 HydrophobicContact CD2-CG 4.12Å; W1041-Q1045 HydrophobicContact CE3-CG 4.3Å; W1041-Q1045 HydrophobicContact CH2-CB 4.45Å; W1041-Q1045 HydrophobicContact CH2-CG 3.68Å; W1041-Q1045 HydrophobicContact CZ2-CG 3.53Å; W1041-Q1045 HydrophobicContact CZ3-CG 4.09Å; W1041-Q1045 WeakPolarHBondContact O-CG 3.35Å; W1041-Q1045 PolarHBondContact O-N 3.4Å; A1042-Q1045 CarbonylContact O-C 3.54Å; A1042-Q1045 WeakPolarHBondContact O-CA 3.18Å; A1042-Q1045 PolarHBondContact O-N 3.33Å; H1043-Q1045 PolarHBondContact O-N 3Å; H1043-Q1045 VanDerWaalsContact O-N 3.15Å; Q1045-L1047 HydrophobicContact CB-CD1 4.05Å; Q1045-L1047 HydrophobicContact CB-CG 4.12Å |
| 1046 | G | 89.8 | Confident | 90.9 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 49% | 0.485 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 17.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F986 A1042 H1043 | F986-G1046 VanDerWaalsContact CE1-O 3.3Å; F986-G1046 WeakPolarHBondContact CE1-O 3.44Å; F986-G1046 VanDerWaalsContact CZ-O 3.28Å; F986-G1046 WeakPolarHBondContact CZ-O 3.3Å; A1042-G1046 PolarHBondContact O-N 3.21Å; A1042-G1046 VanDerWaalsContact O-N 3.12Å; H1043-G1046 PolarHBondContact O-N 3.31Å; H1043-G1046 VanDerWaalsContact O-N 3.08Å |
| 1047 | L | 93.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -100.6 | 16.6 | -174.6 | -62.1 | 174.2 | 0 | 0 | 0 | 113.8 | M972 F986 Y989 F993 W1041 A1042 Q1045 L1049 A1050 V1051 | M972-L1047 HydrophobicContact SD-CD1 4.11Å; F986-L1047 HydrophobicContact CD1-CD2 3.64Å; F986-L1047 HydrophobicContact CE1-CD2 3.72Å; F986-L1047 HydrophobicContact CG-CD2 4.28Å; F986-L1047 HydrophobicContact CZ-CD2 4.39Å; Y989-L1047 HydrophobicContact CD1-CD1 3.88Å; Y989-L1047 HydrophobicContact CD2-CD1 4.07Å; Y989-L1047 HydrophobicContact CE1-CD1 4.42Å; Y989-L1047 HydrophobicContact CG-CD1 3.67Å; F993-L1047 HydrophobicContact CE2-CB 4.22Å; F993-L1047 HydrophobicContact CE2-CD1 4.38Å; F993-L1047 HydrophobicContact CZ-CD1 4.24Å; W1041-L1047 HydrophobicContact CH2-CD1 4.24Å; W1041-L1047 HydrophobicContact CZ3-CD1 4.01Å; A1042-L1047 HydrophobicContact CB-CB 4Å; A1042-L1047 WeakPolarHBondContact O-CB 3.42Å; A1042-L1047 PolarHBondContact O-N 2.95Å; Q1045-L1047 HydrophobicContact CB-CD1 4.05Å; Q1045-L1047 HydrophobicContact CB-CG 4.12Å; L1047-L1049 PolarHBondContact O-N 3.15Å; L1047-A1050 PolarHBondContact O-N 2.93Å; L1047-A1050 VanDerWaalsContact O-N 3.1Å; L1047-V1051 PolarHBondContact O-N 2.84Å | ||
| 1048 | E | 92.1 | Very high | 91.1 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -52.9 | -52.3 | -170.7 | 74.4 | -172.7 | -169.9 | 0 | 0 | 113.3 | H1043 A1050 V1051 E1052 | H1043-E1048 IonicContact CD2-OE2 3.57Å; H1043-E1048 PolarHBondContact CD2-OE2 3.09Å; H1043-E1048 VanDerWaalsContact CD2-OE2 3.29Å; H1043-E1048 IonicContact NE2-OE2 2.85Å; E1048-A1050 PolarHBondContact O-N 3.27Å; E1048-V1051 WeakPolarHBondContact O-CG1 3.49Å; E1048-V1051 PolarHBondContact O-N 2.82Å; E1048-E1052 WeakPolarHBondContact O-CB 3.48Å; E1048-E1052 WeakPolarHBondContact O-CG 3.17Å; E1048-E1052 PolarHBondContact O-N 2.81Å |
| 1049 | L | 88.2 | Confident | 91.1 | Very high | 123 Ų | 123 | 49.3 Ų | 49.3 | 64% | 0.644 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.4 | -29.7 | -177.2 | -59.3 | 177.6 | 0 | 0 | 0 | 112.1 | L1047 C1053 | L1047-L1049 PolarHBondContact O-N 3.15Å; L1049-C1053 WeakPolarHBondContact O-CB 3.34Å; L1049-C1053 PolarHBondContact O-N 3.23Å; L1049-C1053 VanDerWaalsContact O-N 3.12Å |
| 1050 | A | 90.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76 | -37.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F986 F993 L1047 E1048 R1054 | F986-A1050 HydrophobicContact CD1-CB 4.32Å; F993-A1050 HydrophobicContact CD2-CB 4.35Å; F993-A1050 HydrophobicContact CE2-CB 4.37Å; L1047-A1050 PolarHBondContact O-N 2.93Å; L1047-A1050 VanDerWaalsContact O-N 3.1Å; E1048-A1050 PolarHBondContact O-N 3.27Å; A1050-R1054 WeakPolarHBondContact O-CB 3.23Å; A1050-R1054 VanDerWaalsContact O-CG 3.26Å; A1050-R1054 WeakPolarHBondContact O-CG 3.02Å; A1050-R1054 PolarHBondContact O-N 2.96Å |
| 1051 | V | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.1 | -39.9 | 175.9 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | F993 I1038 K1039 A1042 L1047 E1048 R1054 L1055 | F993-V1051 HydrophobicContact CD1-CG2 4.21Å; F993-V1051 HydrophobicContact CD2-CB 3.82Å; F993-V1051 HydrophobicContact CD2-CG2 4.3Å; F993-V1051 HydrophobicContact CE1-CB 4.48Å; F993-V1051 HydrophobicContact CE1-CG2 4.28Å; F993-V1051 HydrophobicContact CE2-CB 3.72Å; F993-V1051 HydrophobicContact CE2-CG2 4.36Å; F993-V1051 HydrophobicContact CG-CB 4.26Å; F993-V1051 HydrophobicContact CG-CG2 4.24Å; F993-V1051 HydrophobicContact CZ-CB 4.07Å; F993-V1051 HydrophobicContact CZ-CG2 4.35Å; I1038-V1051 HydrophobicContact CG2-CG2 4.18Å; K1039-V1051 HydrophobicContact CB-CG1 4.4Å; K1039-V1051 HydrophobicContact CG-CG1 4.23Å; K1039-V1051 HydrophobicContact CG-CG2 4Å; A1042-V1051 HydrophobicContact CB-CB 3.77Å; A1042-V1051 HydrophobicContact CB-CG1 3.53Å; A1042-V1051 HydrophobicContact CB-CG2 4.2Å; L1047-V1051 PolarHBondContact O-N 2.84Å; E1048-V1051 WeakPolarHBondContact O-CG1 3.49Å; E1048-V1051 PolarHBondContact O-N 2.82Å; V1051-R1054 PolarHBondContact O-N 2.95Å; V1051-L1055 HydrophobicContact CG2-CD1 3.47Å; V1051-L1055 VanDerWaalsContact CG2-CD1 3.47Å; V1051-L1055 HydrophobicContact CG2-CG 4.04Å; V1051-L1055 WeakPolarHBondContact O-CB 3.3Å; V1051-L1055 WeakPolarHBondContact O-CG 3.4Å; V1051-L1055 PolarHBondContact O-N 3.33Å |
| 1052 | E | 89.5 | Confident | 91.1 | Very high | 105 Ų | 105 | 42.1 Ų | 42.1 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -51 | 178.8 | -73.8 | -173.2 | 162.3 | 0 | 0 | 110.9 | E1048 R1054 Q1056 | E1048-E1052 WeakPolarHBondContact O-CB 3.48Å; E1048-E1052 WeakPolarHBondContact O-CG 3.17Å; E1048-E1052 PolarHBondContact O-N 2.81Å; E1052-R1054 VanDerWaalsContact C-N 3.31Å; E1052-R1054 PolarHBondContact O-N 3Å; E1052-Q1056 WeakPolarHBondContact O-CA 3.25Å; E1052-Q1056 VanDerWaalsContact O-CB 3.31Å; E1052-Q1056 WeakPolarHBondContact O-CB 3.48Å; E1052-Q1056 PolarHBondContact O-N 2.83Å |
| 1053 | C | 86.6 | Confident | 90.9 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 49% | 0.486 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.8 | -44 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | L1049 | L1049-C1053 WeakPolarHBondContact O-CB 3.34Å; L1049-C1053 PolarHBondContact O-N 3.23Å; L1049-C1053 VanDerWaalsContact O-N 3.12Å |
| 1054 | R | 90.9 | Very high | 91 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -88.5 | -22.8 | -171.9 | -60.8 | -57.7 | -173.8 | -149.4 | -11.4 | 114.9 | S990 F993 H994 A1050 V1051 E1052 | S990-R1054 WeakPolarHBondContact O-CG 3.41Å; S990-R1054 WeakPolarHBondContact OG-CG 3.4Å; S990-R1054 PolarHBondContact OG-NE 2.92Å; F993-R1054 HydrophobicContact CB-CB 3.84Å; H994-R1054 HydrophobicContact CB-CB 4.34Å; H994-R1054 HydrophobicContact CB-CG 4.34Å; A1050-R1054 WeakPolarHBondContact O-CB 3.23Å; A1050-R1054 VanDerWaalsContact O-CG 3.26Å; A1050-R1054 WeakPolarHBondContact O-CG 3.02Å; A1050-R1054 PolarHBondContact O-N 2.96Å; V1051-R1054 PolarHBondContact O-N 2.95Å; E1052-R1054 VanDerWaalsContact C-N 3.31Å; E1052-R1054 PolarHBondContact O-N 3Å |
| 1055 | L | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -97.4 | 6.5 | 171.3 | -56 | -176.6 | 0 | 0 | 0 | 112.5 | F993 I996 L1035 I1038 V1051 R1057 C1058 T1059 | F993-L1055 WeakPolarHBondContact O-CD2 3.28Å; I996-L1055 HydrophobicContact CG2-CD2 4.18Å; L1035-L1055 HydrophobicContact CD2-CB 4.47Å; L1035-L1055 HydrophobicContact CD2-CD1 3.91Å; L1035-L1055 HydrophobicContact CD2-CD2 4.32Å; L1035-L1055 HydrophobicContact CD2-CG 4.47Å; I1038-L1055 HydrophobicContact CG2-CD1 4.3Å; V1051-L1055 HydrophobicContact CG2-CD1 3.47Å; V1051-L1055 VanDerWaalsContact CG2-CD1 3.47Å; V1051-L1055 HydrophobicContact CG2-CG 4.04Å; V1051-L1055 WeakPolarHBondContact O-CB 3.3Å; V1051-L1055 WeakPolarHBondContact O-CG 3.4Å; V1051-L1055 PolarHBondContact O-N 3.33Å; L1055-R1057 PolarHBondContact O-N 3.39Å; L1055-C1058 PolarHBondContact O-N 3.13Å; L1055-T1059 WeakPolarHBondContact O-CB 3.44Å; L1055-T1059 PolarHBondContact O-N 3.46Å; L1055-T1059 PolarHBondContact O-OG1 3.11Å |
| 1056 | Q | 91.4 | Very high | 90.9 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.3 | -45.8 | -178 | -173.4 | 68.2 | -32.9 | 0 | 0 | 112.2 | E1052 C1058 T1059 Q1060 | E1052-Q1056 WeakPolarHBondContact O-CA 3.25Å; E1052-Q1056 VanDerWaalsContact O-CB 3.31Å; E1052-Q1056 WeakPolarHBondContact O-CB 3.48Å; E1052-Q1056 PolarHBondContact O-N 2.83Å; Q1056-C1058 PolarHBondContact O-N 2.87Å; Q1056-T1059 CarbonylContact O-C 3.58Å; Q1056-T1059 PolarHBondContact O-N 3.26Å; Q1056-T1059 VanDerWaalsContact O-N 3.12Å; Q1056-Q1060 HydrophobicContact CG-CG 4.28Å; Q1056-Q1060 WeakPolarHBondContact O-CB 3.28Å; Q1056-Q1060 WeakPolarHBondContact O-CG 3.34Å; Q1056-Q1060 PolarHBondContact O-N 3.12Å |
| 1057 | R | 90.7 | Very high | 90.8 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | -178.5 | -164.4 | -179.6 | -61.2 | 155.6 | 21.4 | 112.5 | F1001 L1055 Q1060 A1061 S1084 L1085 E1148 | F1001-R1057 HydrophobicContact CD2-CG 4.16Å; F1001-R1057 HydrophobicContact CE2-CG 3.79Å; F1001-R1057 HydrophobicContact CZ-CG 4.08Å; L1055-R1057 PolarHBondContact O-N 3.39Å; R1057-Q1060 PolarHBondContact O-N 3.41Å; R1057-A1061 WeakPolarHBondContact O-CB 3.08Å; R1057-A1061 PolarHBondContact O-N 3.35Å; R1057-S1084 WeakPolarHBondContact CA-OG 3.46Å; R1057-S1084 WeakPolarHBondContact CD-O 3.36Å; R1057-S1084 WeakPolarHBondContact CG-O 3.45Å; R1057-S1084 PolarHBondContact NE-O 3.21Å; R1057-L1085 HydrophobicContact CG-CD2 3.51Å; R1057-L1085 HydrophobicContact CG-CG 4.26Å; R1057-E1148 VanDerWaalsContact CZ-CD 3.5Å; R1057-E1148 IonicContact CZ-OE1 3.78Å; R1057-E1148 VanDerWaalsContact CZ-OE1 3.32Å; R1057-E1148 IonicContact CZ-OE2 2.75Å; R1057-E1148 IonicContact NH1-OE1 2.73Å; R1057-E1148 PolarHBondContact NH1-OE1 3.47Å; R1057-E1148 IonicContact NH1-OE2 2.68Å; R1057-E1148 PolarHBondContact NH1-OE2 2.84Å; R1057-E1148 IonicContact NH2-OE1 3.73Å; R1057-E1148 PolarHBondContact NH2-OE1 3.36Å; R1057-E1148 IonicContact NH2-OE2 2.66Å; R1057-E1148 PolarHBondContact NH2-OE2 3.35Å |
| 1058 | C | 91.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 172.3 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | G997 L1035 L1055 Q1056 A1061 C1062 | G997-C1058 PolarHBondContact O-SG 3.22Å; L1035-C1058 HydrophobicContact CD1-CB 3.92Å; L1055-C1058 PolarHBondContact O-N 3.13Å; Q1056-C1058 PolarHBondContact O-N 2.87Å; C1058-A1061 PolarHBondContact O-N 3.08Å; C1058-C1062 PolarHBondContact O-N 3.04Å; C1058-C1062 PolarHBondContact O-SG 3.05Å |
| 1059 | T | 92.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | K1039 L1055 Q1056 C1062 Q1063 | K1039-T1059 PolarHBondContact NZ-OG1 3.47Å; L1055-T1059 WeakPolarHBondContact O-CB 3.44Å; L1055-T1059 PolarHBondContact O-N 3.46Å; L1055-T1059 PolarHBondContact O-OG1 3.11Å; Q1056-T1059 CarbonylContact O-C 3.58Å; Q1056-T1059 PolarHBondContact O-N 3.26Å; Q1056-T1059 VanDerWaalsContact O-N 3.12Å; T1059-C1062 WeakPolarHBondContact O-CB 3.48Å; T1059-C1062 PolarHBondContact O-N 3.32Å; T1059-Q1063 VanDerWaalsContact O-CG 3.31Å; T1059-Q1063 WeakPolarHBondContact O-CG 3.46Å; T1059-Q1063 PolarHBondContact O-N 3.24Å |
| 1060 | Q | 92.4 | Very high | 90 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 176.3 | -73.9 | -170 | -6.6 | 0 | 0 | 112.5 | Q1056 R1057 Q1063 L1064 L1082 S1084 L1085 | Q1056-Q1060 HydrophobicContact CG-CG 4.28Å; Q1056-Q1060 WeakPolarHBondContact O-CB 3.28Å; Q1056-Q1060 WeakPolarHBondContact O-CG 3.34Å; Q1056-Q1060 PolarHBondContact O-N 3.12Å; R1057-Q1060 PolarHBondContact O-N 3.41Å; Q1060-Q1063 WeakPolarHBondContact O-CB 3.39Å; Q1060-Q1063 PolarHBondContact O-N 3.45Å; Q1060-L1064 PolarHBondContact O-N 2.63Å; Q1060-L1082 HydrophobicContact CB-CB 4.32Å; Q1060-L1082 HydrophobicContact CB-CD2 4.04Å; Q1060-L1082 HydrophobicContact CG-CD2 4.07Å; Q1060-L1082 VanDerWaalsContact OE1-CA 3.29Å; Q1060-L1082 PolarHBondContact OE1-O 2.58Å; Q1060-S1084 PolarHBondContact OE1-OG 3.32Å; Q1060-L1085 HydrophobicContact CB-CD1 4.4Å |
| 1061 | A | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1001 L1005 R1057 C1058 Q1063 L1064 I1065 L1085 L1093 | F1001-A1061 HydrophobicContact CE2-CB 4.23Å; L1005-A1061 HydrophobicContact CD1-CB 3.68Å; R1057-A1061 WeakPolarHBondContact O-CB 3.08Å; R1057-A1061 PolarHBondContact O-N 3.35Å; C1058-A1061 PolarHBondContact O-N 3.08Å; A1061-Q1063 VanDerWaalsContact C-N 3.33Å; A1061-Q1063 PolarHBondContact O-N 3.28Å; A1061-L1064 WeakPolarHBondContact O-CB 3.13Å; A1061-L1064 PolarHBondContact O-N 2.9Å; A1061-I1065 WeakPolarHBondContact O-CD1 3.47Å; A1061-I1065 VanDerWaalsContact O-CG1 3.3Å; A1061-I1065 WeakPolarHBondContact O-CG1 3.47Å; A1061-I1065 PolarHBondContact O-N 3.04Å; A1061-L1085 HydrophobicContact CB-CD2 4.3Å; A1061-L1093 HydrophobicContact CB-CD1 3.99Å |
| 1062 | C | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 172.6 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | A1028 N1032 C1058 T1059 L1064 I1065 M1066 | A1028-C1062 HydrophobicContact CB-CB 4.34Å; N1032-C1062 HydrophobicContact CB-CB 4.27Å; C1058-C1062 PolarHBondContact O-N 3.04Å; C1058-C1062 PolarHBondContact O-SG 3.05Å; T1059-C1062 WeakPolarHBondContact O-CB 3.48Å; T1059-C1062 PolarHBondContact O-N 3.32Å; C1062-L1064 VanDerWaalsContact C-N 3.33Å; C1062-L1064 PolarHBondContact O-N 2.91Å; C1062-I1065 PolarHBondContact O-N 3.33Å; C1062-M1066 HydrophobicContact CB-CE 4.07Å; C1062-M1066 VanDerWaalsContact O-CB 3.32Å; C1062-M1066 WeakPolarHBondContact O-CB 3.24Å; C1062-M1066 WeakPolarHBondContact O-CE 3.43Å; C1062-M1066 VanDerWaalsContact O-CG 3.27Å; C1062-M1066 WeakPolarHBondContact O-CG 3.47Å; C1062-M1066 PolarHBondContact O-N 2.82Å |
| 1063 | Q | 90.7 | Very high | 89.4 | Confident | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.6 | -34.3 | 175.8 | -71.3 | 167.5 | 1.1 | 0 | 0 | 113.1 | T1059 Q1060 A1061 A1067 Q1078 L1082 | T1059-Q1063 VanDerWaalsContact O-CG 3.31Å; T1059-Q1063 WeakPolarHBondContact O-CG 3.46Å; T1059-Q1063 PolarHBondContact O-N 3.24Å; Q1060-Q1063 WeakPolarHBondContact O-CB 3.39Å; Q1060-Q1063 PolarHBondContact O-N 3.45Å; A1061-Q1063 VanDerWaalsContact C-N 3.33Å; A1061-Q1063 PolarHBondContact O-N 3.28Å; Q1063-A1067 PolarHBondContact O-N 2.92Å; Q1063-Q1078 PolarHBondContact O-NE2 3.49Å; Q1063-L1082 HydrophobicContact CB-CD2 4.4Å |
| 1064 | L | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -49.7 | 173.1 | -178.8 | 65 | 0 | 0 | 0 | 111.6 | Q1060 A1061 C1062 M1066 A1067 F1075 C1079 L1082 L1085 L1090 L1093 L1094 | Q1060-L1064 PolarHBondContact O-N 2.63Å; A1061-L1064 WeakPolarHBondContact O-CB 3.13Å; A1061-L1064 PolarHBondContact O-N 2.9Å; C1062-L1064 VanDerWaalsContact C-N 3.33Å; C1062-L1064 PolarHBondContact O-N 2.91Å; L1064-M1066 VanDerWaalsContact C-N 3.3Å; L1064-M1066 PolarHBondContact O-N 2.77Å; L1064-A1067 WeakPolarHBondContact O-CB 3.47Å; L1064-A1067 PolarHBondContact O-N 3.34Å; L1064-A1067 VanDerWaalsContact O-N 3.13Å; L1064-F1075 HydrophobicContact CD1-CE2 4.37Å; L1064-F1075 HydrophobicContact CD1-CZ 4.47Å; L1064-C1079 WeakPolarHBondContact CD1-SG 3.5Å; L1064-L1082 HydrophobicContact CB-CD1 3.65Å; L1064-L1082 HydrophobicContact CD1-CD1 3.93Å; L1064-L1082 HydrophobicContact CG-CD1 4.29Å; L1064-L1085 HydrophobicContact CD2-CD1 4.37Å; L1064-L1090 HydrophobicContact CD1-CD1 3.93Å; L1064-L1090 HydrophobicContact CD2-CD1 3.64Å; L1064-L1090 HydrophobicContact CG-CD1 4.44Å; L1064-L1093 HydrophobicContact CD2-CB 3.67Å; L1064-L1093 HydrophobicContact CD2-CD1 3.99Å; L1064-L1093 HydrophobicContact CD2-CG 4.46Å; L1064-L1094 HydrophobicContact CD1-CD2 4.01Å |
| 1065 | I | 88.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | -178.8 | -63.1 | 156.9 | 0 | 0 | 0 | 110.4 | L1005 L1023 T1024 R1025 A1028 A1061 C1062 A1067 R1069 L1097 | L1005-I1065 HydrophobicContact CD2-CD1 3.87Å; L1023-I1065 HydrophobicContact CD2-CD1 4.12Å; L1023-I1065 WeakPolarHBondContact O-CG2 3.26Å; T1024-I1065 VanDerWaalsContact C-CG2 3.5Å; T1024-I1065 WeakPolarHBondContact O-CG2 3.27Å; R1025-I1065 WeakPolarHBondContact CG-O 3.41Å; A1028-I1065 HydrophobicContact CB-CB 3.8Å; A1028-I1065 HydrophobicContact CB-CD1 4.24Å; A1028-I1065 HydrophobicContact CB-CG2 3.63Å; A1061-I1065 WeakPolarHBondContact O-CD1 3.47Å; A1061-I1065 VanDerWaalsContact O-CG1 3.3Å; A1061-I1065 WeakPolarHBondContact O-CG1 3.47Å; A1061-I1065 PolarHBondContact O-N 3.04Å; C1062-I1065 PolarHBondContact O-N 3.33Å; I1065-A1067 VanDerWaalsContact C-N 3.32Å; I1065-A1067 PolarHBondContact O-N 3.48Å; I1065-R1069 PolarHBondContact O-NH2 2.9Å; I1065-L1097 HydrophobicContact CB-CD2 4.37Å; I1065-L1097 HydrophobicContact CG1-CD2 3.71Å |
| 1066 | M | 88.7 | Confident | 89.5 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.6 | 176 | -67.2 | -172.2 | -64.8 | 0 | 0 | 114.9 | A1028 N1032 C1062 L1064 | A1028-M1066 HydrophobicContact CB-CG 3.87Å; N1032-M1066 HydrophobicContact CB-CE 4.45Å; C1062-M1066 HydrophobicContact CB-CE 4.07Å; C1062-M1066 VanDerWaalsContact O-CB 3.32Å; C1062-M1066 WeakPolarHBondContact O-CB 3.24Å; C1062-M1066 WeakPolarHBondContact O-CE 3.43Å; C1062-M1066 VanDerWaalsContact O-CG 3.27Å; C1062-M1066 WeakPolarHBondContact O-CG 3.47Å; C1062-M1066 PolarHBondContact O-N 2.82Å; L1064-M1066 VanDerWaalsContact C-N 3.3Å; L1064-M1066 PolarHBondContact O-N 2.77Å |
| 1067 | A | 88.3 | Confident | 89.4 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -57.8 | 154.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1025 Q1063 L1064 I1065 F1075 Q1078 | R1025-A1067 PolarHBondContact NH2-O 3.25Å; Q1063-A1067 PolarHBondContact O-N 2.92Å; L1064-A1067 WeakPolarHBondContact O-CB 3.47Å; L1064-A1067 PolarHBondContact O-N 3.34Å; L1064-A1067 VanDerWaalsContact O-N 3.13Å; I1065-A1067 VanDerWaalsContact C-N 3.32Å; I1065-A1067 PolarHBondContact O-N 3.48Å; A1067-F1075 HydrophobicContact CB-CD2 3.91Å; A1067-F1075 HydrophobicContact CB-CE2 3.78Å; A1067-Q1078 HydrophobicContact CB-CG 4.49Å |
| 1068 | N | 85.7 | Confident | 89.3 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | trans | -77.8 | 132.9 | 168.2 | -172.4 | 24.6 | 0 | 0 | 0 | 110.1 | T1070 F1075 | N1068-T1070 PolarHBondContact ND2-OG1 3.22Å; N1068-T1070 PolarHBondContact OD1-N 3.07Å; N1068-T1070 PolarHBondContact OD1-OG1 3.37Å; N1068-F1075 VanDerWaalsContact O-CD2 3.25Å; N1068-F1075 WeakPolarHBondContact O-CD2 3.25Å | ||
| 1069 | R | 86.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | trans | -116 | 10.4 | -173.5 | -53 | 179.7 | -155.9 | 155.1 | 4.3 | 112.8 | I1065 F1075 D1099 P1101 W1107 | I1065-R1069 PolarHBondContact O-NH2 2.9Å; R1069-F1075 HydrophobicContact CG-CD2 4.23Å; R1069-F1075 HydrophobicContact CG-CE2 3.93Å; R1069-F1075 HydrophobicContact CG-CZ 4.25Å; R1069-D1099 PolarHBondContact NH1-O 3.33Å; R1069-P1101 HydrophobicContact CB-CG 4.08Å; R1069-P1101 WeakPolarHBondContact CD-O 3.22Å; R1069-P1101 PolarHBondContact NH1-O 3.14Å; R1069-W1107 WeakPolarHBondContact O-CZ3 3.35Å | ||
| 1070 | T | 84 | Confident | 89.2 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 64% | 0.638 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -85 | -15 | -178.2 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | N1068 | N1068-T1070 PolarHBondContact ND2-OG1 3.22Å; N1068-T1070 PolarHBondContact OD1-N 3.07Å; N1068-T1070 PolarHBondContact OD1-OG1 3.37Å |
| 1071 | N | 87.3 | Confident | 89.1 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -133.4 | 118.5 | -178.3 | 179.2 | 3.6 | 0 | 0 | 0 | 109.4 | D1073 E1074 F1075 | N1071-D1073 PolarHBondContact O-N 3.42Å; N1071-D1073 PolarHBondContact OD1-N 2.75Å; N1071-D1073 VanDerWaalsContact OD1-N 3.09Å; N1071-E1074 HydrophobicContact CB-CB 4.2Å; N1071-E1074 HydrophobicContact CB-CG 4.46Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.43Å; N1071-E1074 PolarHBondContact ND2-OE1 3.46Å; N1071-E1074 PolarHBondContact O-N 3.42Å; N1071-F1075 VanDerWaalsContact O-CB 3.23Å; N1071-F1075 WeakPolarHBondContact O-CB 3.3Å; N1071-F1075 PolarHBondContact O-N 2.89Å | ||
| 1072 | L | 86.5 | Confident | 89.1 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.7 | -44.3 | 178.9 | 174.5 | 61.7 | 0 | 0 | 0 | 112.2 | E1074 F1075 Y1076 W1107 L1110 | L1072-E1074 PolarHBondContact O-N 2.97Å; L1072-F1075 PolarHBondContact O-N 3.17Å; L1072-Y1076 WeakPolarHBondContact O-CB 3.03Å; L1072-Y1076 PolarHBondContact O-N 2.95Å; L1072-W1107 HydrophobicContact CB-CD2 4.3Å; L1072-W1107 HydrophobicContact CB-CE3 4.41Å; L1072-W1107 HydrophobicContact CB-CH2 4.07Å; L1072-W1107 HydrophobicContact CB-CZ2 3.93Å; L1072-W1107 HydrophobicContact CB-CZ3 4.31Å; L1072-W1107 HydrophobicContact CD1-CB 4.11Å; L1072-W1107 HydrophobicContact CD1-CD2 3.69Å; L1072-W1107 HydrophobicContact CD1-CE3 4Å; L1072-W1107 HydrophobicContact CD1-CG 3.74Å; L1072-W1107 HydrophobicContact CG-CD2 4.47Å; L1072-L1110 HydrophobicContact CD1-CD2 4.31Å; L1072-L1110 HydrophobicContact CD2-CD2 4.11Å |
| 1073 | D | 87.8 | Confident | 88.9 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | -175.8 | -78.1 | -34 | 0 | 0 | 0 | 111.3 | N1071 Q1077 | N1071-D1073 PolarHBondContact O-N 3.42Å; N1071-D1073 PolarHBondContact OD1-N 2.75Å; N1071-D1073 VanDerWaalsContact OD1-N 3.09Å; D1073-Q1077 WeakPolarHBondContact O-CB 3.37Å; D1073-Q1077 WeakPolarHBondContact O-CG 3.44Å; D1073-Q1077 PolarHBondContact O-N 3.22Å |
| 1074 | E | 88.2 | Confident | 88.7 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 177.1 | -76 | 164.4 | -142.5 | 0 | 0 | 111.6 | N1071 L1072 Q1077 Q1078 | N1071-E1074 HydrophobicContact CB-CB 4.2Å; N1071-E1074 HydrophobicContact CB-CG 4.46Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.43Å; N1071-E1074 PolarHBondContact ND2-OE1 3.46Å; N1071-E1074 PolarHBondContact O-N 3.42Å; L1072-E1074 PolarHBondContact O-N 2.97Å; E1074-Q1077 PolarHBondContact O-N 3.37Å; E1074-Q1078 WeakPolarHBondContact O-CB 3.41Å; E1074-Q1078 PolarHBondContact O-N 2.96Å |
| 1075 | F | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | -179.3 | -175.3 | -122 | 0 | 0 | 0 | 112 | L1064 A1067 N1068 R1069 N1071 L1072 Q1078 C1079 L1094 V1103 W1107 I1111 | L1064-F1075 HydrophobicContact CD1-CE2 4.37Å; L1064-F1075 HydrophobicContact CD1-CZ 4.47Å; A1067-F1075 HydrophobicContact CB-CD2 3.91Å; A1067-F1075 HydrophobicContact CB-CE2 3.78Å; N1068-F1075 VanDerWaalsContact O-CD2 3.25Å; N1068-F1075 WeakPolarHBondContact O-CD2 3.25Å; R1069-F1075 HydrophobicContact CG-CD2 4.23Å; R1069-F1075 HydrophobicContact CG-CE2 3.93Å; R1069-F1075 HydrophobicContact CG-CZ 4.25Å; N1071-F1075 VanDerWaalsContact O-CB 3.23Å; N1071-F1075 WeakPolarHBondContact O-CB 3.3Å; N1071-F1075 PolarHBondContact O-N 2.89Å; L1072-F1075 PolarHBondContact O-N 3.17Å; F1075-Q1078 PolarHBondContact O-N 3.12Å; F1075-C1079 WeakPolarHBondContact O-CB 3.4Å; F1075-C1079 PolarHBondContact O-N 3.04Å; F1075-C1079 PolarHBondContact O-SG 3.31Å; F1075-L1094 HydrophobicContact CE1-CD2 3.9Å; F1075-L1094 HydrophobicContact CZ-CD2 3.5Å; F1075-V1103 HydrophobicContact CE1-CG1 3.91Å; F1075-V1103 HydrophobicContact CE1-CG2 3.95Å; F1075-V1103 HydrophobicContact CZ-CG2 3.87Å; F1075-W1107 HydrophobicContact CD1-CE3 4.09Å; F1075-W1107 HydrophobicContact CD1-CZ3 4.46Å; F1075-I1111 HydrophobicContact CD1-CD1 3.59Å; F1075-I1111 HydrophobicContact CE1-CD1 3.52Å |
| 1076 | Y | 92.1 | Very high | 88.7 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -49.9 | 174 | 179.2 | -85.1 | 0 | 0 | 0 | 111.2 | L1072 Q1078 C1079 I1080 L1110 I1111 | L1072-Y1076 WeakPolarHBondContact O-CB 3.03Å; L1072-Y1076 PolarHBondContact O-N 2.95Å; Y1076-Q1078 VanDerWaalsContact C-N 3.27Å; Y1076-Q1078 PolarHBondContact O-N 2.68Å; Y1076-C1079 PolarHBondContact O-N 2.98Å; Y1076-I1080 HydrophobicContact CD1-CG1 4.04Å; Y1076-I1080 HydrophobicContact CD2-CG1 4.42Å; Y1076-I1080 HydrophobicContact CE1-CG1 3.7Å; Y1076-I1080 HydrophobicContact CE2-CD1 4.36Å; Y1076-I1080 HydrophobicContact CE2-CG1 4.11Å; Y1076-I1080 HydrophobicContact CG-CG1 4.38Å; Y1076-I1080 WeakPolarHBondContact O-CG1 3.28Å; Y1076-I1080 PolarHBondContact O-N 3.01Å; Y1076-L1110 HydrophobicContact CD2-CG 4.22Å; Y1076-L1110 HydrophobicContact CE2-CG 4.1Å; Y1076-I1111 HydrophobicContact CD2-CB 4.44Å; Y1076-I1111 HydrophobicContact CD2-CG1 3.72Å; Y1076-I1111 HydrophobicContact CG-CG1 4.47Å |
| 1077 | Q | 88.8 | Confident | 88.7 | Confident | 132 Ų | 132 | 47 Ų | 47 | 62% | 0.617 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.8 | -36.2 | 176.9 | -67.6 | -63.2 | -46.9 | 0 | 0 | 111.8 | D1073 E1074 S1081 | D1073-Q1077 WeakPolarHBondContact O-CB 3.37Å; D1073-Q1077 WeakPolarHBondContact O-CG 3.44Å; D1073-Q1077 PolarHBondContact O-N 3.22Å; E1074-Q1077 PolarHBondContact O-N 3.37Å; Q1077-S1081 PolarHBondContact O-N 3.26Å |
| 1078 | Q | 90.3 | Very high | 88.7 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 173 | -173.3 | 170.9 | -7.4 | 0 | 0 | 111.2 | Q1063 A1067 E1074 F1075 Y1076 I1080 S1081 L1082 | Q1063-Q1078 PolarHBondContact O-NE2 3.49Å; A1067-Q1078 HydrophobicContact CB-CG 4.49Å; E1074-Q1078 WeakPolarHBondContact O-CB 3.41Å; E1074-Q1078 PolarHBondContact O-N 2.96Å; F1075-Q1078 PolarHBondContact O-N 3.12Å; Y1076-Q1078 VanDerWaalsContact C-N 3.27Å; Y1076-Q1078 PolarHBondContact O-N 2.68Å; Q1078-I1080 PolarHBondContact O-N 3.37Å; Q1078-S1081 WeakPolarHBondContact O-CB 3.3Å; Q1078-S1081 PolarHBondContact O-N 3.29Å; Q1078-S1081 VanDerWaalsContact O-N 3.15Å; Q1078-S1081 PolarHBondContact O-OG 3.43Å; Q1078-L1082 WeakPolarHBondContact O-CG 3.2Å |
| 1079 | C | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | -179 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | L1064 F1075 Y1076 S1081 L1082 L1090 I1111 | L1064-C1079 WeakPolarHBondContact CD1-SG 3.5Å; F1075-C1079 WeakPolarHBondContact O-CB 3.4Å; F1075-C1079 PolarHBondContact O-N 3.04Å; F1075-C1079 PolarHBondContact O-SG 3.31Å; Y1076-C1079 PolarHBondContact O-N 2.98Å; C1079-S1081 PolarHBondContact O-N 3.42Å; C1079-L1082 WeakPolarHBondContact O-CB 3.26Å; C1079-L1082 PolarHBondContact O-N 3.27Å; C1079-L1090 HydrophobicContact CB-CD1 4.49Å; C1079-I1111 HydrophobicContact CB-CG2 3.52Å |
| 1080 | I | 89.8 | Confident | 89.2 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -17.3 | 178.2 | -60.7 | -59 | 0 | 0 | 0 | 112.2 | Y1076 Q1078 L1082 I1111 G1114 A1115 V1118 | Y1076-I1080 HydrophobicContact CD1-CG1 4.04Å; Y1076-I1080 HydrophobicContact CD2-CG1 4.42Å; Y1076-I1080 HydrophobicContact CE1-CG1 3.7Å; Y1076-I1080 HydrophobicContact CE2-CD1 4.36Å; Y1076-I1080 HydrophobicContact CE2-CG1 4.11Å; Y1076-I1080 HydrophobicContact CG-CG1 4.38Å; Y1076-I1080 WeakPolarHBondContact O-CG1 3.28Å; Y1076-I1080 PolarHBondContact O-N 3.01Å; Q1078-I1080 PolarHBondContact O-N 3.37Å; I1080-L1082 VanDerWaalsContact C-N 3.31Å; I1080-I1111 WeakPolarHBondContact CD1-O 3.4Å; I1080-G1114 VanDerWaalsContact CD1-C 3.45Å; I1080-A1115 HydrophobicContact CD1-CB 4.21Å; I1080-A1115 VanDerWaalsContact CD1-N 3.34Å; I1080-V1118 HydrophobicContact CG2-CB 4.11Å; I1080-V1118 HydrophobicContact CG2-CG1 4Å; I1080-V1118 HydrophobicContact CG2-CG2 4Å |
| 1081 | S | 89.7 | Confident | 89.3 | Confident | 71 Ų | 71 | 45.1 Ų | 45.1 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -13.9 | 171 | 80.7 | 0 | 0 | 0 | 0 | 114.1 | Q1077 Q1078 C1079 I1083 | Q1077-S1081 PolarHBondContact O-N 3.26Å; Q1078-S1081 WeakPolarHBondContact O-CB 3.3Å; Q1078-S1081 PolarHBondContact O-N 3.29Å; Q1078-S1081 VanDerWaalsContact O-N 3.15Å; Q1078-S1081 PolarHBondContact O-OG 3.43Å; C1079-S1081 PolarHBondContact O-N 3.42Å; S1081-I1083 PolarHBondContact O-N 3.49Å |
| 1082 | L | 91.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -83.6 | 52.8 | -176 | -52.2 | -178.3 | 0 | 0 | 0 | 112.7 | Q1060 Q1063 L1064 Q1078 C1079 I1080 S1084 L1085 N1119 | Q1060-L1082 HydrophobicContact CB-CB 4.32Å; Q1060-L1082 HydrophobicContact CB-CD2 4.04Å; Q1060-L1082 HydrophobicContact CG-CD2 4.07Å; Q1060-L1082 VanDerWaalsContact OE1-CA 3.29Å; Q1060-L1082 PolarHBondContact OE1-O 2.58Å; Q1063-L1082 HydrophobicContact CB-CD2 4.4Å; L1064-L1082 HydrophobicContact CB-CD1 3.65Å; L1064-L1082 HydrophobicContact CD1-CD1 3.93Å; L1064-L1082 HydrophobicContact CG-CD1 4.29Å; Q1078-L1082 WeakPolarHBondContact O-CG 3.2Å; C1079-L1082 WeakPolarHBondContact O-CB 3.26Å; C1079-L1082 PolarHBondContact O-N 3.27Å; I1080-L1082 VanDerWaalsContact C-N 3.31Å; L1082-S1084 PolarHBondContact O-N 2.82Å; L1082-L1085 HydrophobicContact CB-CD1 4.11Å; L1082-L1085 HydrophobicContact CD1-CD1 4.05Å; L1082-L1085 PolarHBondContact O-N 2.89Å; L1082-N1119 PolarHBondContact O-ND2 3.08Å; L1082-N1119 VanDerWaalsContact O-ND2 3.08Å | ||
| 1083 | I | 88.7 | Confident | 89.4 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 45% | 0.446 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10.5 | -170.6 | 61.1 | 169.7 | 0 | 0 | 0 | 116.3 | S1081 V1118 A1122 | S1081-I1083 PolarHBondContact O-N 3.49Å; I1083-V1118 HydrophobicContact CG2-CG1 4.39Å; I1083-A1122 HydrophobicContact CB-CB 4.2Å |
| 1084 | S | 86.9 | Confident | 89.4 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.1 | 176 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | R1057 Q1060 L1082 | R1057-S1084 WeakPolarHBondContact CA-OG 3.46Å; R1057-S1084 WeakPolarHBondContact CD-O 3.36Å; R1057-S1084 WeakPolarHBondContact CG-O 3.45Å; R1057-S1084 PolarHBondContact NE-O 3.21Å; Q1060-S1084 PolarHBondContact OE1-OG 3.32Å; L1082-S1084 PolarHBondContact O-N 2.82Å |
| 1085 | L | 90.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -94.1 | 122.5 | 168.1 | -67 | 168.6 | 0 | 0 | 0 | 108.8 | F1001 R1057 Q1060 A1061 L1064 L1082 Q1089 L1093 N1119 | F1001-L1085 HydrophobicContact CE2-CD2 3.66Å; F1001-L1085 HydrophobicContact CZ-CD2 3.79Å; R1057-L1085 HydrophobicContact CG-CD2 3.51Å; R1057-L1085 HydrophobicContact CG-CG 4.26Å; Q1060-L1085 HydrophobicContact CB-CD1 4.4Å; A1061-L1085 HydrophobicContact CB-CD2 4.3Å; L1064-L1085 HydrophobicContact CD2-CD1 4.37Å; L1082-L1085 HydrophobicContact CB-CD1 4.11Å; L1082-L1085 HydrophobicContact CD1-CD1 4.05Å; L1082-L1085 PolarHBondContact O-N 2.89Å; L1085-Q1089 HydrophobicContact CD2-CB 4.34Å; L1085-L1093 HydrophobicContact CD1-CD1 4.24Å; L1085-L1093 HydrophobicContact CD2-CD1 4.01Å; L1085-N1119 VanDerWaalsContact O-CB 3.28Å; L1085-N1119 WeakPolarHBondContact O-CB 3.47Å; L1085-N1119 PolarHBondContact O-ND2 3.46Å |
| 1086 | N | 88.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -70.7 | 167 | 172.1 | 73 | 41.8 | 0 | 0 | 0 | 111.3 | I1088 Q1089 L1090 Y1123 L1144 Q1145 | N1086-I1088 VanDerWaalsContact C-N 3.29Å; N1086-I1088 PolarHBondContact O-N 3.48Å; N1086-I1088 PolarHBondContact OD1-N 3.37Å; N1086-Q1089 VanDerWaalsContact N-OE1 3.07Å; N1086-Q1089 VanDerWaalsContact ND2-CD 3.3Å; N1086-Q1089 PolarHBondContact ND2-NE2 2.73Å; N1086-Q1089 PolarHBondContact ND2-OE1 3.27Å; N1086-Q1089 WeakPolarHBondContact O-CB 3.27Å; N1086-Q1089 PolarHBondContact O-N 2.93Å; N1086-Q1089 WeakPolarHBondContact OD1-CG 3.38Å; N1086-Q1089 PolarHBondContact OD1-N 3.16Å; N1086-L1090 WeakPolarHBondContact O-CB 3.46Å; N1086-L1090 PolarHBondContact O-N 3.17Å; N1086-Y1123 HydrophobicContact CB-CG 4.36Å; N1086-L1144 HydrophobicContact CB-CD2 4.31Å; N1086-Q1145 PolarHBondContact ND2-O 3.14Å | ||
| 1087 | S | 89 | Confident | 88.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -33.8 | -173.2 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | L1090 E1091 K1116 D1120 | S1087-L1090 PolarHBondContact O-N 3.26Å; S1087-E1091 WeakPolarHBondContact O-CB 3.19Å; S1087-E1091 PolarHBondContact O-N 2.73Å; S1087-K1116 VanDerWaalsContact CB-CG 3.47Å; S1087-K1116 VanDerWaalsContact OG-CE 3.32Å; S1087-K1116 WeakPolarHBondContact OG-CE 3.43Å; S1087-K1116 VanDerWaalsContact OG-CG 3.31Å; S1087-K1116 WeakPolarHBondContact OG-CG 3.25Å; S1087-D1120 WeakPolarHBondContact CB-OD1 3.04Å; S1087-D1120 WeakPolarHBondContact CB-OD2 3.06Å; S1087-D1120 PolarHBondContact N-OD1 2.93Å; S1087-D1120 VanDerWaalsContact OG-CG 3.27Å; S1087-D1120 PolarHBondContact OG-OD1 3.2Å; S1087-D1120 PolarHBondContact OG-OD2 2.82Å |
| 1088 | I | 88.7 | Confident | 87.3 | Confident | 64 Ų | 64 | 28.9 Ų | 28.9 | 33% | 0.328 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.9 | -39.2 | 178.6 | -63.5 | -179.5 | 0 | 0 | 0 | 110.9 | N1086 L1090 W1092 L1144 L1146 | N1086-I1088 VanDerWaalsContact C-N 3.29Å; N1086-I1088 PolarHBondContact O-N 3.48Å; N1086-I1088 PolarHBondContact OD1-N 3.37Å; I1088-L1090 VanDerWaalsContact C-N 3.34Å; I1088-W1092 VanDerWaalsContact O-CB 3.32Å; I1088-W1092 WeakPolarHBondContact O-CB 3.27Å; I1088-W1092 PolarHBondContact O-N 3.4Å; I1088-L1144 HydrophobicContact CD1-CB 3.77Å; I1088-L1144 WeakPolarHBondContact CD1-O 3.32Å; I1088-L1144 HydrophobicContact CG1-CB 4.42Å; I1088-L1146 HydrophobicContact CG2-CB 4.25Å; I1088-L1146 HydrophobicContact CG2-CD1 4.41Å |
| 1089 | Q | 90.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 172 | -72.9 | 164.9 | -7.6 | 0 | 0 | 111.5 | F1001 L1085 N1086 L1093 Q1145 L1146 | F1001-Q1089 HydrophobicContact CE1-CG 3.81Å; F1001-Q1089 HydrophobicContact CZ-CB 4.07Å; F1001-Q1089 HydrophobicContact CZ-CG 3.77Å; L1085-Q1089 HydrophobicContact CD2-CB 4.34Å; N1086-Q1089 VanDerWaalsContact N-OE1 3.07Å; N1086-Q1089 VanDerWaalsContact ND2-CD 3.3Å; N1086-Q1089 PolarHBondContact ND2-NE2 2.73Å; N1086-Q1089 PolarHBondContact ND2-OE1 3.27Å; N1086-Q1089 WeakPolarHBondContact O-CB 3.27Å; N1086-Q1089 PolarHBondContact O-N 2.93Å; N1086-Q1089 WeakPolarHBondContact OD1-CG 3.38Å; N1086-Q1089 PolarHBondContact OD1-N 3.16Å; Q1089-L1093 VanDerWaalsContact O-CB 3.29Å; Q1089-L1093 WeakPolarHBondContact O-CB 3.32Å; Q1089-L1093 WeakPolarHBondContact O-CD1 3.48Å; Q1089-L1093 WeakPolarHBondContact O-CG 3.31Å; Q1089-L1093 PolarHBondContact O-N 3.37Å; Q1089-Q1145 PolarHBondContact NE2-O 2.89Å; Q1089-Q1145 VanDerWaalsContact NE2-O 3.15Å; Q1089-L1146 HydrophobicContact CG-CD1 4.27Å; Q1089-L1146 VanDerWaalsContact CG-O 3.27Å; Q1089-L1146 WeakPolarHBondContact CG-O 3.34Å; Q1089-L1146 PolarHBondContact NE2-O 3.46Å |
| 1090 | L | 91.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -46 | 176.4 | -173.5 | 63.3 | 0 | 0 | 0 | 111.7 | L1064 C1079 N1086 S1087 I1088 L1093 L1094 I1111 A1115 | L1064-L1090 HydrophobicContact CD1-CD1 3.93Å; L1064-L1090 HydrophobicContact CD2-CD1 3.64Å; L1064-L1090 HydrophobicContact CG-CD1 4.44Å; C1079-L1090 HydrophobicContact CB-CD1 4.49Å; N1086-L1090 WeakPolarHBondContact O-CB 3.46Å; N1086-L1090 PolarHBondContact O-N 3.17Å; S1087-L1090 PolarHBondContact O-N 3.26Å; I1088-L1090 VanDerWaalsContact C-N 3.34Å; L1090-L1093 PolarHBondContact O-N 3.09Å; L1090-L1094 HydrophobicContact CD1-CD1 4.18Å; L1090-L1094 HydrophobicContact CD1-CG 4.29Å; L1090-L1094 HydrophobicContact CG-CD1 3.93Å; L1090-L1094 HydrophobicContact CG-CG 4.45Å; L1090-L1094 VanDerWaalsContact O-CB 3.32Å; L1090-L1094 WeakPolarHBondContact O-CB 3.28Å; L1090-L1094 WeakPolarHBondContact O-CG 3.39Å; L1090-L1094 PolarHBondContact O-N 2.77Å; L1090-I1111 HydrophobicContact CD2-CG2 3.71Å; L1090-I1111 HydrophobicContact CG-CG2 4.3Å; L1090-A1115 HydrophobicContact CD2-CB 3.53Å |
| 1091 | E | 88.1 | Confident | 84.7 | Confident | 79 Ų | 79 | 33.9 Ų | 33.9 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.7 | -50.1 | 175.3 | -171.7 | 174.7 | 145 | 0 | 0 | 110.9 | S1087 A1095 V1112 K1116 | S1087-E1091 WeakPolarHBondContact O-CB 3.19Å; S1087-E1091 PolarHBondContact O-N 2.73Å; E1091-A1095 WeakPolarHBondContact O-CB 3.38Å; E1091-A1095 PolarHBondContact O-N 2.81Å; E1091-V1112 HydrophobicContact CB-CG1 4.2Å; E1091-V1112 HydrophobicContact CB-CG2 3.59Å; E1091-V1112 HydrophobicContact CG-CG1 4.24Å; E1091-V1112 HydrophobicContact CG-CG2 3.95Å; E1091-V1112 VanDerWaalsContact OE2-CG1 3.22Å; E1091-V1112 WeakPolarHBondContact OE2-CG1 3.23Å; E1091-K1116 IonicContact OE2-NZ 3.18Å; E1091-K1116 PolarHBondContact OE2-NZ 2.81Å |
| 1092 | W | 86.6 | Confident | 84 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 177.7 | -168.7 | 102.2 | 0 | 0 | 0 | 112.4 | L1005 I1006 L1023 I1088 L1094 A1095 H1096 L1146 | L1005-W1092 WeakPolarHBondContact O-CH2 3.5Å; L1005-W1092 WeakPolarHBondContact O-CZ3 3.22Å; I1006-W1092 WeakPolarHBondContact O-CZ2 3.49Å; L1023-W1092 HydrophobicContact CD1-CH2 4.24Å; L1023-W1092 HydrophobicContact CD1-CZ3 4.11Å; I1088-W1092 VanDerWaalsContact O-CB 3.32Å; I1088-W1092 WeakPolarHBondContact O-CB 3.27Å; I1088-W1092 PolarHBondContact O-N 3.4Å; W1092-L1094 PolarHBondContact O-N 3.1Å; W1092-A1095 PolarHBondContact O-N 2.77Å; W1092-H1096 AromaticContact CD1-CE1 3.8Å; W1092-H1096 AromaticContact CD2-CE1 3.78Å; W1092-H1096 AromaticContact CD2-ND1 3.42Å; W1092-H1096 AromaticContact CE2-CE1 3.4Å; W1092-H1096 VanDerWaalsContact CE2-CE1 3.4Å; W1092-H1096 AromaticContact CE2-ND1 3.44Å; W1092-H1096 HydrophobicContact CE3-CB 4.43Å; W1092-H1096 AromaticContact CE3-ND1 3.71Å; W1092-H1096 AromaticContact CG-ND1 3.89Å; W1092-H1096 HydrophobicContact CH2-CB 4.16Å; W1092-H1096 AromaticContact CH2-CG 3.94Å; W1092-H1096 AromaticContact CH2-ND1 3.98Å; W1092-H1096 AromaticContact CZ2-CE1 3.8Å; W1092-H1096 AromaticContact CZ2-ND1 3.75Å; W1092-H1096 HydrophobicContact CZ3-CB 4Å; W1092-H1096 AromaticContact CZ3-ND1 3.95Å; W1092-H1096 AromaticContact NE1-CE1 3.44Å; W1092-H1096 PolarHBondContact NE1-CE1 3.13Å; W1092-H1096 AromaticContact NE1-ND1 3.89Å; W1092-H1096 PolarHBondContact O-N 3.23Å; W1092-H1096 PolarHBondContact O-ND1 3.43Å; W1092-L1146 HydrophobicContact CB-CD1 3.56Å; W1092-L1146 VanDerWaalsContact CD1-CD2 3.5Å; W1092-L1146 HydrophobicContact CD2-CD1 4.4Å; W1092-L1146 HydrophobicContact CG-CD1 3.72Å; W1092-L1146 HydrophobicContact CG-CD2 4.01Å |
| 1093 | L | 88.8 | Confident | 83.7 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | -178.7 | -77.6 | 168.9 | 0 | 0 | 0 | 111.4 | L1005 L1023 A1061 L1064 L1085 Q1089 L1090 A1095 H1096 L1097 | L1005-L1093 HydrophobicContact CB-CD2 4.32Å; L1005-L1093 HydrophobicContact CD2-CD2 4.46Å; L1023-L1093 HydrophobicContact CD2-CD2 3.92Å; A1061-L1093 HydrophobicContact CB-CD1 3.99Å; L1064-L1093 HydrophobicContact CD2-CB 3.67Å; L1064-L1093 HydrophobicContact CD2-CD1 3.99Å; L1064-L1093 HydrophobicContact CD2-CG 4.46Å; L1085-L1093 HydrophobicContact CD1-CD1 4.24Å; L1085-L1093 HydrophobicContact CD2-CD1 4.01Å; Q1089-L1093 VanDerWaalsContact O-CB 3.29Å; Q1089-L1093 WeakPolarHBondContact O-CB 3.32Å; Q1089-L1093 WeakPolarHBondContact O-CD1 3.48Å; Q1089-L1093 WeakPolarHBondContact O-CG 3.31Å; Q1089-L1093 PolarHBondContact O-N 3.37Å; L1090-L1093 PolarHBondContact O-N 3.09Å; L1093-A1095 VanDerWaalsContact C-N 3.3Å; L1093-A1095 PolarHBondContact O-N 2.83Å; L1093-H1096 PolarHBondContact O-N 2.87Å; L1093-L1097 VanDerWaalsContact O-CD2 3.32Å; L1093-L1097 WeakPolarHBondContact O-CD2 3.28Å; L1093-L1097 VanDerWaalsContact O-CG 3.24Å; L1093-L1097 WeakPolarHBondContact O-CG 3.31Å; L1093-L1097 PolarHBondContact O-N 3.02Å |
| 1094 | L | 88 | Confident | 83.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | 177.9 | -73.1 | 170.9 | 0 | 0 | 0 | 112.5 | L1064 F1075 L1090 W1092 H1096 V1103 I1108 I1111 V1112 | L1064-L1094 HydrophobicContact CD1-CD2 4.01Å; F1075-L1094 HydrophobicContact CE1-CD2 3.9Å; F1075-L1094 HydrophobicContact CZ-CD2 3.5Å; L1090-L1094 HydrophobicContact CD1-CD1 4.18Å; L1090-L1094 HydrophobicContact CD1-CG 4.29Å; L1090-L1094 HydrophobicContact CG-CD1 3.93Å; L1090-L1094 HydrophobicContact CG-CG 4.45Å; L1090-L1094 VanDerWaalsContact O-CB 3.32Å; L1090-L1094 WeakPolarHBondContact O-CB 3.28Å; L1090-L1094 WeakPolarHBondContact O-CG 3.39Å; L1090-L1094 PolarHBondContact O-N 2.77Å; W1092-L1094 PolarHBondContact O-N 3.1Å; L1094-H1096 VanDerWaalsContact C-N 3.34Å; L1094-H1096 PolarHBondContact O-N 3.04Å; L1094-V1103 HydrophobicContact CD2-CG1 4.42Å; L1094-V1103 HydrophobicContact CD2-CG2 4.15Å; L1094-I1108 HydrophobicContact CB-CD1 3.88Å; L1094-I1108 HydrophobicContact CB-CG1 3.97Å; L1094-I1108 HydrophobicContact CB-CG2 4.17Å; L1094-I1108 HydrophobicContact CD1-CG2 4.21Å; L1094-I1111 HydrophobicContact CD1-CB 4.21Å; L1094-I1111 HydrophobicContact CD1-CD1 4.45Å; L1094-I1111 HydrophobicContact CD1-CG2 3.8Å; L1094-V1112 HydrophobicContact CD1-CG2 4.43Å |
| 1095 | A | 82.5 | Confident | 83.4 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.2 | -27.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1091 W1092 L1093 I1108 | E1091-A1095 WeakPolarHBondContact O-CB 3.38Å; E1091-A1095 PolarHBondContact O-N 2.81Å; W1092-A1095 PolarHBondContact O-N 2.77Å; L1093-A1095 VanDerWaalsContact C-N 3.3Å; L1093-A1095 PolarHBondContact O-N 2.83Å; A1095-I1108 HydrophobicContact CB-CD1 4.43Å |
| 1096 | H | 80.3 | Confident | 83 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 21% | 0.213 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -105.6 | 4.3 | -174 | -61.7 | 90.2 | 0 | 0 | 0 | 114.8 | L1023 W1092 L1093 L1094 S1098 | L1023-H1096 HydrophobicContact CD1-CB 3.76Å; W1092-H1096 AromaticContact CD1-CE1 3.8Å; W1092-H1096 AromaticContact CD2-CE1 3.78Å; W1092-H1096 AromaticContact CD2-ND1 3.42Å; W1092-H1096 AromaticContact CE2-CE1 3.4Å; W1092-H1096 VanDerWaalsContact CE2-CE1 3.4Å; W1092-H1096 AromaticContact CE2-ND1 3.44Å; W1092-H1096 HydrophobicContact CE3-CB 4.43Å; W1092-H1096 AromaticContact CE3-ND1 3.71Å; W1092-H1096 AromaticContact CG-ND1 3.89Å; W1092-H1096 HydrophobicContact CH2-CB 4.16Å; W1092-H1096 AromaticContact CH2-CG 3.94Å; W1092-H1096 AromaticContact CH2-ND1 3.98Å; W1092-H1096 AromaticContact CZ2-CE1 3.8Å; W1092-H1096 AromaticContact CZ2-ND1 3.75Å; W1092-H1096 HydrophobicContact CZ3-CB 4Å; W1092-H1096 AromaticContact CZ3-ND1 3.95Å; W1092-H1096 AromaticContact NE1-CE1 3.44Å; W1092-H1096 PolarHBondContact NE1-CE1 3.13Å; W1092-H1096 AromaticContact NE1-ND1 3.89Å; W1092-H1096 PolarHBondContact O-N 3.23Å; W1092-H1096 PolarHBondContact O-ND1 3.43Å; L1093-H1096 PolarHBondContact O-N 2.87Å; L1094-H1096 VanDerWaalsContact C-N 3.34Å; L1094-H1096 PolarHBondContact O-N 3.04Å; H1096-S1098 PolarHBondContact O-N 3.31Å; H1096-S1098 VanDerWaalsContact O-N 3.07Å; H1096-S1098 PolarHBondContact O-OG 2.87Å |
| 1097 | L | 83.4 | Confident | 83.1 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | trans | -61.7 | 111.9 | 175.6 | -60.1 | -171.7 | 0 | 0 | 0 | 111 | I1065 L1093 V1103 | I1065-L1097 HydrophobicContact CB-CD2 4.37Å; I1065-L1097 HydrophobicContact CG1-CD2 3.71Å; L1093-L1097 VanDerWaalsContact O-CD2 3.32Å; L1093-L1097 WeakPolarHBondContact O-CD2 3.28Å; L1093-L1097 VanDerWaalsContact O-CG 3.24Å; L1093-L1097 WeakPolarHBondContact O-CG 3.31Å; L1093-L1097 PolarHBondContact O-N 3.02Å; L1097-V1103 HydrophobicContact CD1-CG2 3.99Å | ||
| 1098 | S | 69.3 | Low | 83.1 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | trans | -83.9 | -23.9 | -172.9 | -54.3 | 0 | 0 | 0 | 0 | 114.2 | H1096 | H1096-S1098 PolarHBondContact O-N 3.31Å; H1096-S1098 VanDerWaalsContact O-N 3.07Å; H1096-S1098 PolarHBondContact O-OG 2.87Å | ||
| 1099 | D | 73.2 | Confident | 83.1 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -71.1 | 144.5 | -178 | -83.8 | 14.9 | 0 | 0 | 0 | 113.1 | T1024 R1025 R1069 P1101 | T1024-D1099 VanDerWaalsContact CA-OD1 3.28Å; T1024-D1099 WeakPolarHBondContact CA-OD1 3.27Å; T1024-D1099 WeakPolarHBondContact CB-OD1 3.19Å; T1024-D1099 VanDerWaalsContact CG2-OD1 3.25Å; T1024-D1099 WeakPolarHBondContact CG2-OD1 3.4Å; R1025-D1099 VanDerWaalsContact CB-OD2 3.25Å; R1025-D1099 WeakPolarHBondContact CB-OD2 3.4Å; R1025-D1099 WeakPolarHBondContact CG-OD2 3.45Å; R1025-D1099 PolarHBondContact N-OD2 3.14Å; R1069-D1099 PolarHBondContact NH1-O 3.33Å; D1099-P1101 CarbonylContact O-C 3.53Å |
| 1100 | P | 67.7 | Low | 83.1 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 69% | 0.688 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75 | 148.3 | 170.3 | 30.6 | -34.2 | 0 | 0 | 0 | 113 | ||
| 1101 | P | 77 | Confident | 83.2 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | S | Bend | cis | -71.9 | 144.8 | -10.1 | 31.3 | -34.1 | 0 | 0 | 0 | 111.1 | R1069 D1099 | R1069-P1101 HydrophobicContact CB-CG 4.08Å; R1069-P1101 WeakPolarHBondContact CD-O 3.22Å; R1069-P1101 PolarHBondContact NH1-O 3.14Å; D1099-P1101 CarbonylContact O-C 3.53Å |
| 1102 | P | 75.1 | Confident | 83.3 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 151.9 | 170.9 | 30.3 | -35.2 | 0 | 0 | 0 | 110 | P1104 | P1102-P1104 WeakPolarHBondContact O-CD 3.48Š|
| 1103 | V | 83.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 124.5 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | R1013 F1075 L1094 L1097 W1107 I1108 | R1013-V1103 PolarHBondContact NH2-O 2.97Å; F1075-V1103 HydrophobicContact CE1-CG1 3.91Å; F1075-V1103 HydrophobicContact CE1-CG2 3.95Å; F1075-V1103 HydrophobicContact CZ-CG2 3.87Å; L1094-V1103 HydrophobicContact CD2-CG1 4.42Å; L1094-V1103 HydrophobicContact CD2-CG2 4.15Å; L1097-V1103 HydrophobicContact CD1-CG2 3.99Å; V1103-W1107 HydrophobicContact CG1-CB 4.07Å; V1103-I1108 HydrophobicContact CB-CD1 4.46Å; V1103-I1108 HydrophobicContact CB-CG1 4.32Å; V1103-I1108 HydrophobicContact CG1-CD1 4.32Å; V1103-I1108 HydrophobicContact CG1-CG1 3.66Å |
| 1104 | P | 84.4 | Confident | 83.4 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 141.5 | 173.7 | -20.8 | 33.2 | 0 | 0 | 0 | 111.5 | P1102 E1106 W1107 I1108 | P1102-P1104 WeakPolarHBondContact O-CD 3.48Å; P1104-E1106 VanDerWaalsContact C-N 3.31Å; P1104-E1106 PolarHBondContact O-N 2.86Å; P1104-W1107 HydrophobicContact CB-CD2 4.44Å; P1104-W1107 HydrophobicContact CB-CG 4.07Å; P1104-W1107 HydrophobicContact CG-CD2 3.89Å; P1104-W1107 HydrophobicContact CG-CE3 4.41Å; P1104-W1107 HydrophobicContact CG-CG 4.06Å; P1104-W1107 HydrophobicContact CG-CZ2 4.43Å; P1104-W1107 WeakPolarHBondContact O-CA 3.48Å; P1104-W1107 WeakPolarHBondContact O-CB 3.18Å; P1104-W1107 PolarHBondContact O-N 2.98Å; P1104-I1108 PolarHBondContact O-N 2.76Å |
| 1105 | D | 84.6 | Confident | 83.5 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | -176.3 | -69.5 | -54.5 | 0 | 0 | 0 | 113.2 | R1013 W1107 I1108 D1109 | R1013-D1105 IonicContact CZ-OD1 2.71Å; R1013-D1105 IonicContact CZ-OD2 2.82Å; R1013-D1105 VanDerWaalsContact NH1-CG 3.28Å; R1013-D1105 IonicContact NH1-OD1 2.76Å; R1013-D1105 PolarHBondContact NH1-OD1 2.86Å; R1013-D1105 IonicContact NH1-OD2 3.18Å; R1013-D1105 PolarHBondContact NH1-OD2 2.92Å; R1013-D1105 IonicContact NH2-OD1 2.73Å; R1013-D1105 PolarHBondContact NH2-OD1 2.79Å; R1013-D1105 IonicContact NH2-OD2 3.18Å; D1105-W1107 PolarHBondContact O-N 2.87Å; D1105-I1108 WeakPolarHBondContact O-CA 3.3Å; D1105-I1108 WeakPolarHBondContact O-CB 3.17Å; D1105-I1108 PolarHBondContact O-N 2.95Å; D1105-D1109 PolarHBondContact O-N 2.89Å |
| 1106 | E | 82.4 | Confident | 83.8 | Confident | 160 Ų | 160 | 55.3 Ų | 55.3 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.3 | -32.9 | 171.9 | -59.2 | 179.8 | 168.7 | 0 | 0 | 113 | P1104 L1110 | P1104-E1106 VanDerWaalsContact C-N 3.31Å; P1104-E1106 PolarHBondContact O-N 2.86Å; E1106-L1110 WeakPolarHBondContact O-CB 3.2Å; E1106-L1110 PolarHBondContact O-N 3.29Å |
| 1107 | W | 91 | Very high | 83.9 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.8 | -33.2 | 177.9 | -63.4 | 16.5 | 0 | 0 | 0 | 110.9 | R1069 L1072 F1075 V1103 P1104 D1105 I1111 | R1069-W1107 WeakPolarHBondContact O-CZ3 3.35Å; L1072-W1107 HydrophobicContact CB-CD2 4.3Å; L1072-W1107 HydrophobicContact CB-CE3 4.41Å; L1072-W1107 HydrophobicContact CB-CH2 4.07Å; L1072-W1107 HydrophobicContact CB-CZ2 3.93Å; L1072-W1107 HydrophobicContact CB-CZ3 4.31Å; L1072-W1107 HydrophobicContact CD1-CB 4.11Å; L1072-W1107 HydrophobicContact CD1-CD2 3.69Å; L1072-W1107 HydrophobicContact CD1-CE3 4Å; L1072-W1107 HydrophobicContact CD1-CG 3.74Å; L1072-W1107 HydrophobicContact CG-CD2 4.47Å; F1075-W1107 HydrophobicContact CD1-CE3 4.09Å; F1075-W1107 HydrophobicContact CD1-CZ3 4.46Å; V1103-W1107 HydrophobicContact CG1-CB 4.07Å; P1104-W1107 HydrophobicContact CB-CD2 4.44Å; P1104-W1107 HydrophobicContact CB-CG 4.07Å; P1104-W1107 HydrophobicContact CG-CD2 3.89Å; P1104-W1107 HydrophobicContact CG-CE3 4.41Å; P1104-W1107 HydrophobicContact CG-CG 4.06Å; P1104-W1107 HydrophobicContact CG-CZ2 4.43Å; P1104-W1107 WeakPolarHBondContact O-CA 3.48Å; P1104-W1107 WeakPolarHBondContact O-CB 3.18Å; P1104-W1107 PolarHBondContact O-N 2.98Å; D1105-W1107 PolarHBondContact O-N 2.87Å; W1107-I1111 HydrophobicContact CB-CD1 4.5Å; W1107-I1111 VanDerWaalsContact O-CB 3.31Å; W1107-I1111 WeakPolarHBondContact O-CB 3.39Å; W1107-I1111 WeakPolarHBondContact O-CD1 3.36Å; W1107-I1111 WeakPolarHBondContact O-CG1 3.34Å; W1107-I1111 PolarHBondContact O-N 2.91Å |
| 1108 | I | 89.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -53.2 | 175.6 | -56.4 | -172.5 | 0 | 0 | 0 | 109.3 | R1013 L1094 A1095 V1103 P1104 D1105 L1110 I1111 V1112 | R1013-I1108 VanDerWaalsContact NH2-CD1 3.32Å; L1094-I1108 HydrophobicContact CB-CD1 3.88Å; L1094-I1108 HydrophobicContact CB-CG1 3.97Å; L1094-I1108 HydrophobicContact CB-CG2 4.17Å; L1094-I1108 HydrophobicContact CD1-CG2 4.21Å; A1095-I1108 HydrophobicContact CB-CD1 4.43Å; V1103-I1108 HydrophobicContact CB-CD1 4.46Å; V1103-I1108 HydrophobicContact CB-CG1 4.32Å; V1103-I1108 HydrophobicContact CG1-CD1 4.32Å; V1103-I1108 HydrophobicContact CG1-CG1 3.66Å; P1104-I1108 PolarHBondContact O-N 2.76Å; D1105-I1108 WeakPolarHBondContact O-CA 3.3Å; D1105-I1108 WeakPolarHBondContact O-CB 3.17Å; D1105-I1108 PolarHBondContact O-N 2.95Å; I1108-L1110 VanDerWaalsContact C-N 3.27Å; I1108-L1110 PolarHBondContact O-N 3.45Å; I1108-I1111 PolarHBondContact O-N 2.83Å; I1108-V1112 HydrophobicContact CG2-CG2 3.84Å; I1108-V1112 WeakPolarHBondContact O-CB 3.39Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.28Å; I1108-V1112 PolarHBondContact O-N 3.23Å |
| 1109 | D | 88.8 | Confident | 85.1 | Confident | 113 Ų | 113 | 60 Ų | 60 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -55.8 | -41.8 | 179.1 | -81.6 | -25.7 | 0 | 0 | 0 | 112.3 | D1105 T1113 | D1105-D1109 PolarHBondContact O-N 2.89Å; D1109-T1113 VanDerWaalsContact O-CB 3.24Å; D1109-T1113 WeakPolarHBondContact O-CB 3.44Å; D1109-T1113 PolarHBondContact O-N 2.9Å; D1109-T1113 PolarHBondContact O-OG1 3.49Å |
| 1110 | L | 90.5 | Very high | 85.8 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 44% | 0.44 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 177.3 | -178.6 | 59.8 | 0 | 0 | 0 | 112.5 | L1072 Y1076 E1106 I1108 T1113 G1114 | L1072-L1110 HydrophobicContact CD1-CD2 4.31Å; L1072-L1110 HydrophobicContact CD2-CD2 4.11Å; Y1076-L1110 HydrophobicContact CD2-CG 4.22Å; Y1076-L1110 HydrophobicContact CE2-CG 4.1Å; E1106-L1110 WeakPolarHBondContact O-CB 3.2Å; E1106-L1110 PolarHBondContact O-N 3.29Å; I1108-L1110 VanDerWaalsContact C-N 3.27Å; I1108-L1110 PolarHBondContact O-N 3.45Å; L1110-T1113 PolarHBondContact O-N 2.96Å; L1110-G1114 PolarHBondContact O-N 2.9Å; L1110-G1114 VanDerWaalsContact O-N 3.11Å |
| 1111 | I | 92 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | -179.9 | -70.8 | 164.8 | 0 | 0 | 0 | 110.7 | F1075 Y1076 C1079 I1080 L1090 L1094 W1107 I1108 G1114 A1115 | F1075-I1111 HydrophobicContact CD1-CD1 3.59Å; F1075-I1111 HydrophobicContact CE1-CD1 3.52Å; Y1076-I1111 HydrophobicContact CD2-CB 4.44Å; Y1076-I1111 HydrophobicContact CD2-CG1 3.72Å; Y1076-I1111 HydrophobicContact CG-CG1 4.47Å; C1079-I1111 HydrophobicContact CB-CG2 3.52Å; I1080-I1111 WeakPolarHBondContact CD1-O 3.4Å; L1090-I1111 HydrophobicContact CD2-CG2 3.71Å; L1090-I1111 HydrophobicContact CG-CG2 4.3Å; L1094-I1111 HydrophobicContact CD1-CB 4.21Å; L1094-I1111 HydrophobicContact CD1-CD1 4.45Å; L1094-I1111 HydrophobicContact CD1-CG2 3.8Å; W1107-I1111 HydrophobicContact CB-CD1 4.5Å; W1107-I1111 VanDerWaalsContact O-CB 3.31Å; W1107-I1111 WeakPolarHBondContact O-CB 3.39Å; W1107-I1111 WeakPolarHBondContact O-CD1 3.36Å; W1107-I1111 WeakPolarHBondContact O-CG1 3.34Å; W1107-I1111 PolarHBondContact O-N 2.91Å; I1108-I1111 PolarHBondContact O-N 2.83Å; I1111-G1114 PolarHBondContact O-N 3.49Å; I1111-A1115 WeakPolarHBondContact O-CB 3.48Å; I1111-A1115 PolarHBondContact O-N 2.85Å |
| 1112 | V | 91.3 | Very high | 86.6 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 179.4 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | E1091 L1094 I1108 A1115 K1116 | E1091-V1112 HydrophobicContact CB-CG1 4.2Å; E1091-V1112 HydrophobicContact CB-CG2 3.59Å; E1091-V1112 HydrophobicContact CG-CG1 4.24Å; E1091-V1112 HydrophobicContact CG-CG2 3.95Å; E1091-V1112 VanDerWaalsContact OE2-CG1 3.22Å; E1091-V1112 WeakPolarHBondContact OE2-CG1 3.23Å; L1094-V1112 HydrophobicContact CD1-CG2 4.43Å; I1108-V1112 HydrophobicContact CG2-CG2 3.84Å; I1108-V1112 WeakPolarHBondContact O-CB 3.39Å; I1108-V1112 WeakPolarHBondContact O-CG2 3.28Å; I1108-V1112 PolarHBondContact O-N 3.23Å; V1112-A1115 PolarHBondContact O-N 3.05Å; V1112-K1116 HydrophobicContact CG1-CD 3.92Å; V1112-K1116 WeakPolarHBondContact O-CB 3.38Å; V1112-K1116 VanDerWaalsContact O-CG 3.3Å; V1112-K1116 WeakPolarHBondContact O-CG 3.41Å; V1112-K1116 PolarHBondContact O-N 3.28Å |
| 1113 | T | 89.4 | Confident | 86.9 | Confident | 90 Ų | 90 | 55.1 Ų | 55.1 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.8 | -43.6 | 172.8 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | D1109 L1110 K1116 | D1109-T1113 VanDerWaalsContact O-CB 3.24Å; D1109-T1113 WeakPolarHBondContact O-CB 3.44Å; D1109-T1113 PolarHBondContact O-N 2.9Å; D1109-T1113 PolarHBondContact O-OG1 3.49Å; L1110-T1113 PolarHBondContact O-N 2.96Å; T1113-K1116 PolarHBondContact O-N 3.43Å |
| 1114 | G | 87.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1080 L1110 I1111 K1116 E1117 V1118 | I1080-G1114 VanDerWaalsContact CD1-C 3.45Å; L1110-G1114 PolarHBondContact O-N 2.9Å; L1110-G1114 VanDerWaalsContact O-N 3.11Å; I1111-G1114 PolarHBondContact O-N 3.49Å; G1114-K1116 VanDerWaalsContact C-N 3.31Å; G1114-K1116 PolarHBondContact O-N 3.32Å; G1114-E1117 PolarHBondContact O-N 2.94Å; G1114-E1117 VanDerWaalsContact O-N 3.09Å; G1114-V1118 PolarHBondContact O-N 2.85Å; G1114-V1118 VanDerWaalsContact O-N 3.08Å |
| 1115 | A | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -30.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1080 L1090 I1111 V1112 E1117 V1118 N1119 D1120 | I1080-A1115 HydrophobicContact CD1-CB 4.21Å; I1080-A1115 VanDerWaalsContact CD1-N 3.34Å; L1090-A1115 HydrophobicContact CD2-CB 3.53Å; I1111-A1115 WeakPolarHBondContact O-CB 3.48Å; I1111-A1115 PolarHBondContact O-N 2.85Å; V1112-A1115 PolarHBondContact O-N 3.05Å; A1115-E1117 PolarHBondContact O-N 3.27Å; A1115-V1118 PolarHBondContact O-N 2.89Å; A1115-N1119 HydrophobicContact CB-CB 4.16Å; A1115-N1119 WeakPolarHBondContact O-CA 3.42Å; A1115-N1119 WeakPolarHBondContact O-CB 3.44Å; A1115-N1119 PolarHBondContact O-N 3.12Å; A1115-D1120 PolarHBondContact O-N 2.87Å |
| 1116 | K | 88.7 | Confident | 85.2 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -21.5 | 171.8 | -75.2 | 164.6 | -177.3 | 164.1 | 0 | 112.7 | S1087 E1091 V1112 T1113 G1114 D1120 | S1087-K1116 VanDerWaalsContact CB-CG 3.47Å; S1087-K1116 VanDerWaalsContact OG-CE 3.32Å; S1087-K1116 WeakPolarHBondContact OG-CE 3.43Å; S1087-K1116 VanDerWaalsContact OG-CG 3.31Å; S1087-K1116 WeakPolarHBondContact OG-CG 3.25Å; E1091-K1116 IonicContact OE2-NZ 3.18Å; E1091-K1116 PolarHBondContact OE2-NZ 2.81Å; V1112-K1116 HydrophobicContact CG1-CD 3.92Å; V1112-K1116 WeakPolarHBondContact O-CB 3.38Å; V1112-K1116 VanDerWaalsContact O-CG 3.3Å; V1112-K1116 WeakPolarHBondContact O-CG 3.41Å; V1112-K1116 PolarHBondContact O-N 3.28Å; T1113-K1116 PolarHBondContact O-N 3.43Å; G1114-K1116 VanDerWaalsContact C-N 3.31Å; G1114-K1116 PolarHBondContact O-N 3.32Å; K1116-D1120 WeakPolarHBondContact CG-OD2 3.42Å |
| 1117 | E | 83 | Confident | 84.5 | Confident | 153 Ų | 153 | 51.1 Ų | 51.1 | 72% | 0.715 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -92 | -32.4 | 171.3 | -63 | -158.4 | 151.4 | 0 | 0 | 114.3 | G1114 A1115 R1121 | G1114-E1117 PolarHBondContact O-N 2.94Å; G1114-E1117 VanDerWaalsContact O-N 3.09Å; A1115-E1117 PolarHBondContact O-N 3.27Å; E1117-R1121 VanDerWaalsContact O-CB 3.3Å; E1117-R1121 WeakPolarHBondContact O-CB 3.42Å |
| 1118 | V | 88.1 | Confident | 83.3 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 38% | 0.376 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -106 | -53.7 | -170.2 | 179.8 | 0 | 0 | 0 | 0 | 113.3 | I1080 I1083 G1114 A1115 R1121 A1122 | I1080-V1118 HydrophobicContact CG2-CB 4.11Å; I1080-V1118 HydrophobicContact CG2-CG1 4Å; I1080-V1118 HydrophobicContact CG2-CG2 4Å; I1083-V1118 HydrophobicContact CG2-CG1 4.39Å; G1114-V1118 PolarHBondContact O-N 2.85Å; G1114-V1118 VanDerWaalsContact O-N 3.08Å; A1115-V1118 PolarHBondContact O-N 2.89Å; V1118-R1121 WeakPolarHBondContact O-CB 3.44Å; V1118-A1122 PolarHBondContact O-N 3Å; V1118-A1122 VanDerWaalsContact O-N 3.12Å |
| 1119 | N | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -77.8 | -48.3 | -172.8 | -61.7 | 37.6 | 0 | 0 | 0 | 111.2 | L1082 L1085 A1115 R1121 A1122 Y1123 | L1082-N1119 PolarHBondContact O-ND2 3.08Å; L1082-N1119 VanDerWaalsContact O-ND2 3.08Å; L1085-N1119 VanDerWaalsContact O-CB 3.28Å; L1085-N1119 WeakPolarHBondContact O-CB 3.47Å; L1085-N1119 PolarHBondContact O-ND2 3.46Å; A1115-N1119 HydrophobicContact CB-CB 4.16Å; A1115-N1119 WeakPolarHBondContact O-CA 3.42Å; A1115-N1119 WeakPolarHBondContact O-CB 3.44Å; A1115-N1119 PolarHBondContact O-N 3.12Å; N1119-R1121 PolarHBondContact O-N 3.19Å; N1119-A1122 PolarHBondContact O-N 2.78Å; N1119-Y1123 PolarHBondContact O-N 3.1Å |
| 1120 | D | 87.3 | Confident | 80.2 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 11% | 0.112 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -27.5 | 176.6 | -69.9 | -14.3 | 0 | 0 | 0 | 111.6 | S1087 A1115 K1116 A1124 L1144 | S1087-D1120 WeakPolarHBondContact CB-OD1 3.04Å; S1087-D1120 WeakPolarHBondContact CB-OD2 3.06Å; S1087-D1120 PolarHBondContact N-OD1 2.93Å; S1087-D1120 VanDerWaalsContact OG-CG 3.27Å; S1087-D1120 PolarHBondContact OG-OD1 3.2Å; S1087-D1120 PolarHBondContact OG-OD2 2.82Å; A1115-D1120 PolarHBondContact O-N 2.87Å; K1116-D1120 WeakPolarHBondContact CG-OD2 3.42Å; D1120-A1124 WeakPolarHBondContact O-CB 3.48Å; D1120-A1124 PolarHBondContact O-N 2.88Å; D1120-L1144 HydrophobicContact CB-CD1 4.22Å; D1120-L1144 VanDerWaalsContact CG-CD1 3.42Å; D1120-L1144 VanDerWaalsContact OD2-CD1 3.31Å; D1120-L1144 WeakPolarHBondContact OD2-CD1 3.29Å |
| 1121 | R | 81.7 | Confident | 78.5 | Confident | 96 Ų | 96 | 55.6 Ų | 55.6 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -51.4 | 169.3 | 175.5 | 174.5 | -157.9 | 71 | 46.4 | 111.7 | E1117 V1118 N1119 Y1123 A1124 D1125 | E1117-R1121 VanDerWaalsContact O-CB 3.3Å; E1117-R1121 WeakPolarHBondContact O-CB 3.42Å; V1118-R1121 WeakPolarHBondContact O-CB 3.44Å; N1119-R1121 PolarHBondContact O-N 3.19Å; R1121-Y1123 VanDerWaalsContact C-N 3.3Å; R1121-Y1123 PolarHBondContact O-N 3.01Å; R1121-A1124 PolarHBondContact O-N 2.82Å; R1121-D1125 IonicContact NH2-OD1 3.5Å; R1121-D1125 WeakPolarHBondContact O-CB 3.35Å; R1121-D1125 VanDerWaalsContact O-CG 3.22Å; R1121-D1125 PolarHBondContact O-N 3.11Å |
| 1122 | A | 81.2 | Confident | 76.8 | Confident | 31 Ų | 31 | 61.1 Ų | 61.1 | 26% | 0.256 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1083 V1118 N1119 D1125 E1126 | I1083-A1122 HydrophobicContact CB-CB 4.2Å; V1118-A1122 PolarHBondContact O-N 3Å; V1118-A1122 VanDerWaalsContact O-N 3.12Å; N1119-A1122 PolarHBondContact O-N 2.78Å; A1122-D1125 PolarHBondContact O-N 2.98Å; A1122-E1126 PolarHBondContact O-N 2.83Å |
| 1123 | Y | 81.5 | Confident | 74.5 | Confident | 23 Ų | 23 | 67 Ų | 67 | 9% | 0.09 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 175.3 | -174.2 | -101.4 | 0 | 0 | 0 | 112.6 | N1086 N1119 R1121 E1126 I1127 L1144 | N1086-Y1123 HydrophobicContact CB-CG 4.36Å; N1119-Y1123 PolarHBondContact O-N 3.1Å; R1121-Y1123 VanDerWaalsContact C-N 3.3Å; R1121-Y1123 PolarHBondContact O-N 3.01Å; Y1123-E1126 PolarHBondContact O-N 3.07Å; Y1123-I1127 HydrophobicContact CD1-CD1 3.94Å; Y1123-I1127 HydrophobicContact CE1-CD1 3.36Å; Y1123-I1127 HydrophobicContact CE1-CG1 4.38Å; Y1123-I1127 PolarHBondContact O-N 3.15Å; Y1123-L1144 HydrophobicContact CD1-CD2 3.46Å; Y1123-L1144 VanDerWaalsContact CD1-CD2 3.46Å; Y1123-L1144 HydrophobicContact CE1-CD2 3.71Å |
| 1124 | A | 73.3 | Confident | 72.4 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 31% | 0.306 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1120 R1121 E1126 I1127 E1128 | D1120-A1124 WeakPolarHBondContact O-CB 3.48Å; D1120-A1124 PolarHBondContact O-N 2.88Å; R1121-A1124 PolarHBondContact O-N 2.82Å; A1124-E1126 VanDerWaalsContact C-N 3.32Å; A1124-E1126 PolarHBondContact O-N 2.9Å; A1124-I1127 PolarHBondContact O-N 3.48Å; A1124-E1128 WeakPolarHBondContact O-CB 3.12Å; A1124-E1128 PolarHBondContact O-N 2.83Å |
| 1125 | D | 72.2 | Confident | 70.4 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 174.9 | -65.2 | -22.1 | 0 | 0 | 0 | 110.4 | R1121 A1122 H1129 | R1121-D1125 IonicContact NH2-OD1 3.5Å; R1121-D1125 WeakPolarHBondContact O-CB 3.35Å; R1121-D1125 VanDerWaalsContact O-CG 3.22Å; R1121-D1125 PolarHBondContact O-N 3.11Å; A1122-D1125 PolarHBondContact O-N 2.98Å; D1125-H1129 PolarHBondContact O-CD2 3.07Å; D1125-H1129 PolarHBondContact O-N 3.01Å; D1125-H1129 VanDerWaalsContact O-N 3.13Å |
| 1126 | E | 70.5 | Confident | 68.1 | Low | 98 Ų | 98 | 70.5 Ų | 70.5 | 46% | 0.458 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 171.8 | -175.5 | 173.4 | -166.2 | 0 | 0 | 112.5 | A1122 Y1123 A1124 H1129 Y1130 | A1122-E1126 PolarHBondContact O-N 2.83Å; Y1123-E1126 PolarHBondContact O-N 3.07Å; A1124-E1126 VanDerWaalsContact C-N 3.32Å; A1124-E1126 PolarHBondContact O-N 2.9Å; E1126-H1129 WeakPolarHBondContact O-CB 3.46Å; E1126-H1129 PolarHBondContact O-N 2.98Å; E1126-Y1130 PolarHBondContact O-N 2.83Å; E1126-Y1130 VanDerWaalsContact O-N 3.12Å |
| 1127 | I | 68.4 | Low | 66 | Low | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.128 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 176.6 | -73 | 179.8 | 0 | 0 | 0 | 112.2 | Y1123 A1124 H1129 Y1130 N1131 L1141 | Y1123-I1127 HydrophobicContact CD1-CD1 3.94Å; Y1123-I1127 HydrophobicContact CE1-CD1 3.36Å; Y1123-I1127 HydrophobicContact CE1-CG1 4.38Å; Y1123-I1127 PolarHBondContact O-N 3.15Å; A1124-I1127 PolarHBondContact O-N 3.48Å; I1127-H1129 VanDerWaalsContact C-N 3.35Å; I1127-Y1130 WeakPolarHBondContact O-CB 3.31Å; I1127-Y1130 PolarHBondContact O-N 3.38Å; I1127-N1131 WeakPolarHBondContact CG2-ND2 3.35Å; I1127-N1131 PolarHBondContact O-N 3.43Å; I1127-N1131 PolarHBondContact O-ND2 2.84Å; I1127-L1141 HydrophobicContact CG2-CD2 4.06Å |
| 1128 | E | 65.9 | Low | 64 | Low | 117 Ų | 117 | 69 Ų | 69 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 175.6 | -171.9 | 164.3 | -170.1 | 0 | 0 | 110.7 | A1124 Y1130 N1131 I1132 | A1124-E1128 WeakPolarHBondContact O-CB 3.12Å; A1124-E1128 PolarHBondContact O-N 2.83Å; E1128-Y1130 VanDerWaalsContact C-N 3.33Å; E1128-Y1130 PolarHBondContact O-N 3.3Å; E1128-N1131 PolarHBondContact O-N 3.49Å; E1128-I1132 HydrophobicContact CG-CD1 3.93Å; E1128-I1132 HydrophobicContact CG-CG1 4.46Å; E1128-I1132 WeakPolarHBondContact O-CB 3.42Å; E1128-I1132 WeakPolarHBondContact O-CD1 3.4Å; E1128-I1132 VanDerWaalsContact O-CG1 3.26Å; E1128-I1132 WeakPolarHBondContact O-CG1 3.44Å; E1128-I1132 PolarHBondContact O-N 2.82Å |
| 1129 | H | 58.2 | Low | 61.6 | Low | 129 Ų | 129 | 73.9 Ų | 73.9 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.5 | -39.6 | 170.1 | -93.2 | -64.2 | 0 | 0 | 0 | 113.3 | D1125 E1126 I1127 N1133 | D1125-H1129 PolarHBondContact O-CD2 3.07Å; D1125-H1129 PolarHBondContact O-N 3.01Å; D1125-H1129 VanDerWaalsContact O-N 3.13Å; E1126-H1129 WeakPolarHBondContact O-CB 3.46Å; E1126-H1129 PolarHBondContact O-N 2.98Å; I1127-H1129 VanDerWaalsContact C-N 3.35Å; H1129-N1133 VanDerWaalsContact O-CG 3.3Å; H1129-N1133 PolarHBondContact O-N 2.64Å; H1129-N1133 PolarHBondContact O-ND2 3.32Å; H1129-N1133 VanDerWaalsContact O-ND2 3.13Å |
| 1130 | Y | 55 | Low | 59.3 | Low | 60 Ų | 60 | 78.9 Ų | 78.9 | 24% | 0.235 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 173.2 | 168.6 | -100.3 | 0 | 0 | 0 | 112.2 | E1126 I1127 E1128 I1132 N1133 T1134 Q1136 P1153 | E1126-Y1130 PolarHBondContact O-N 2.83Å; E1126-Y1130 VanDerWaalsContact O-N 3.12Å; I1127-Y1130 WeakPolarHBondContact O-CB 3.31Å; I1127-Y1130 PolarHBondContact O-N 3.38Å; E1128-Y1130 VanDerWaalsContact C-N 3.33Å; E1128-Y1130 PolarHBondContact O-N 3.3Å; Y1130-I1132 VanDerWaalsContact C-N 3.31Å; Y1130-I1132 PolarHBondContact O-N 2.86Å; Y1130-N1133 PolarHBondContact O-N 3.05Å; Y1130-T1134 HydrophobicContact CD2-CG2 3.75Å; Y1130-T1134 HydrophobicContact CE1-CG2 4.15Å; Y1130-T1134 HydrophobicContact CE2-CG2 3.17Å; Y1130-T1134 HydrophobicContact CG-CG2 4.46Å; Y1130-T1134 VanDerWaalsContact CZ-CG2 3.4Å; Y1130-T1134 PolarHBondContact O-N 2.93Å; Y1130-T1134 PolarHBondContact O-OG1 3.47Å; Y1130-Q1136 PolarHBondContact OH-OE1 2.88Å; Y1130-P1153 HydrophobicContact CD2-CB 4.3Å; Y1130-P1153 WeakPolarHBondContact CD2-O 3.47Å; Y1130-P1153 HydrophobicContact CE1-CB 4.35Å; Y1130-P1153 HydrophobicContact CE2-CB 3.76Å; Y1130-P1153 WeakPolarHBondContact CE2-O 3.25Å |
| 1131 | N | 54.9 | Low | 57.3 | Low | 47 Ų | 47 | 83.9 Ų | 83.9 | 25% | 0.251 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -35 | -175.6 | -71.9 | -31.5 | 0 | 0 | 0 | 112.8 | I1127 E1128 G1135 | I1127-N1131 WeakPolarHBondContact CG2-ND2 3.35Å; I1127-N1131 PolarHBondContact O-N 3.43Å; I1127-N1131 PolarHBondContact O-ND2 2.84Å; E1128-N1131 PolarHBondContact O-N 3.49Å; N1131-G1135 PolarHBondContact O-N 3.41Å |
| 1132 | I | 54.4 | Low | 55.8 | Low | 116 Ų | 116 | 82 Ų | 82 | 60% | 0.595 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 173 | -71.3 | 166.9 | 0 | 0 | 0 | 110.9 | E1128 Y1130 | E1128-I1132 HydrophobicContact CG-CD1 3.93Å; E1128-I1132 HydrophobicContact CG-CG1 4.46Å; E1128-I1132 WeakPolarHBondContact O-CB 3.42Å; E1128-I1132 WeakPolarHBondContact O-CD1 3.4Å; E1128-I1132 VanDerWaalsContact O-CG1 3.26Å; E1128-I1132 WeakPolarHBondContact O-CG1 3.44Å; E1128-I1132 PolarHBondContact O-N 2.82Å; Y1130-I1132 VanDerWaalsContact C-N 3.31Å; Y1130-I1132 PolarHBondContact O-N 2.86Å |
| 1133 | N | 43.9 | Very low | 54.7 | Low | 127 Ų | 127 | 87.9 Ų | 87.9 | 68% | 0.679 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.9 | -27.9 | -176.4 | -72.5 | -24.4 | 0 | 0 | 0 | 113.7 | H1129 Y1130 | H1129-N1133 VanDerWaalsContact O-CG 3.3Å; H1129-N1133 PolarHBondContact O-N 2.64Å; H1129-N1133 PolarHBondContact O-ND2 3.32Å; H1129-N1133 VanDerWaalsContact O-ND2 3.13Å; Y1130-N1133 PolarHBondContact O-N 3.05Å |
| 1134 | T | 45.1 | Very low | 54.3 | Low | 29 Ų | 29 | 89.2 Ų | 89.2 | 18% | 0.178 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -95.1 | -10.3 | -179.1 | 61 | 0 | 0 | 0 | 0 | 114.9 | Y1130 Q1136 P1155 | Y1130-T1134 HydrophobicContact CD2-CG2 3.75Å; Y1130-T1134 HydrophobicContact CE1-CG2 4.15Å; Y1130-T1134 HydrophobicContact CE2-CG2 3.17Å; Y1130-T1134 HydrophobicContact CG-CG2 4.46Å; Y1130-T1134 VanDerWaalsContact CZ-CG2 3.4Å; Y1130-T1134 PolarHBondContact O-N 2.93Å; Y1130-T1134 PolarHBondContact O-OG1 3.47Å; T1134-Q1136 PolarHBondContact O-N 3.48Å; T1134-Q1136 PolarHBondContact OG1-N 3.39Å; T1134-P1155 HydrophobicContact CG2-CG 3.92Å |
| 1135 | G | 45.8 | Very low | 54.4 | Low | 62 Ų | 62 | 91.4 Ų | 91.4 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | trans | 65.3 | 11.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1131 S1137 | N1131-G1135 PolarHBondContact O-N 3.41Å; G1135-S1137 PolarHBondContact O-N 2.9Å | ||
| 1136 | Q | 40.7 | Very low | 54.9 | Low | 79 Ų | 79 | 90.1 Ų | 90.1 | 37% | 0.369 | 48% | 0.479 | S | S | . | . | trans | -76.6 | 91.5 | 176.4 | -70.5 | -176.6 | -55.5 | 0 | 0 | 109.9 | Y1130 T1134 D1138 | Y1130-Q1136 PolarHBondContact OH-OE1 2.88Å; T1134-Q1136 PolarHBondContact O-N 3.48Å; T1134-Q1136 PolarHBondContact OG1-N 3.39Å; Q1136-D1138 VanDerWaalsContact C-N 3.27Å; Q1136-D1138 PolarHBondContact O-N 3.08Å | ||
| 1137 | S | 45 | Very low | 55.6 | Low | 89 Ų | 89 | 88.4 Ų | 88.4 | 62% | 0.622 | 47% | 0.473 | S | S | * | . | trans | -81.2 | -0.9 | 175.4 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | G1135 H1139 | G1135-S1137 PolarHBondContact O-N 2.9Å; S1137-H1139 VanDerWaalsContact C-N 3.31Å; S1137-H1139 PolarHBondContact O-N 2.82Å; S1137-H1139 PolarHBondContact O-ND1 3.12Å | ||
| 1138 | D | 41.2 | Very low | 56.4 | Low | 134 Ų | 134 | 88.7 Ų | 88.7 | 72% | 0.717 | 47% | 0.474 | S | S | * | . | trans | -81.9 | 71.9 | -167.1 | -68.5 | -24.2 | 0 | 0 | 0 | 113.4 | Q1136 T1140 | Q1136-D1138 VanDerWaalsContact C-N 3.27Å; Q1136-D1138 PolarHBondContact O-N 3.08Å; D1138-T1140 PolarHBondContact O-N 2.91Å | ||
| 1139 | H | 38.2 | Very low | 57.1 | Low | 163 Ų | 163 | 86.6 Ų | 86.6 | 76% | 0.755 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 54.4 | 27.4 | 131 | -60 | -40.3 | 0 | 0 | 0 | 121.1 | S1137 | S1137-H1139 VanDerWaalsContact C-N 3.31Å; S1137-H1139 PolarHBondContact O-N 2.82Å; S1137-H1139 PolarHBondContact O-ND1 3.12Å |
| 1140 | T | 40.9 | Very low | 58.1 | Low | 106 Ų | 106 | 86.6 Ų | 86.6 | 65% | 0.65 | 47% | 0.465 | S | S | * | . | trans | -133.7 | 126.6 | 140.9 | 50 | 0 | 0 | 0 | 0 | 110.1 | D1138 S1142 | D1138-T1140 PolarHBondContact O-N 2.91Å; T1140-S1142 PolarHBondContact O-N 2.89Å | ||
| 1141 | L | 44.4 | Very low | 59 | Low | 126 Ų | 126 | 89.4 Ų | 89.4 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | trans | -61.4 | 121.3 | 143 | -83 | 168 | 0 | 0 | 0 | 104.9 | I1127 E1143 | I1127-L1141 HydrophobicContact CG2-CD2 4.06Å; L1141-E1143 PolarHBondContact O-N 3.15Å | ||
| 1142 | S | 51.7 | Low | 60.2 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | trans | -54.5 | 115.7 | 176.3 | -57 | 0 | 0 | 0 | 0 | 108.4 | T1140 L1144 | T1140-S1142 PolarHBondContact O-N 2.89Å; S1142-L1144 PolarHBondContact O-N 2.88Å | ||
| 1143 | E | 58 | Low | 60.8 | Low | 153 Ų | 153 | 85.1 Ų | 85.1 | 72% | 0.715 | 46% | 0.461 | S | S | * | . | trans | -50.8 | 133.2 | 178.1 | -173.2 | 172.6 | -163.7 | 0 | 0 | 108.3 | L1141 Q1145 | L1141-E1143 PolarHBondContact O-N 3.15Å; E1143-Q1145 WeakPolarHBondContact O-CG 3.3Å; E1143-Q1145 PolarHBondContact O-N 3.32Å | ||
| 1144 | L | 72.6 | Confident | 62.1 | Low | 52 Ų | 52 | 82 Ų | 82 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | trans | -52.4 | 111.9 | -170.5 | -66.8 | 172.5 | 0 | 0 | 0 | 109.7 | N1086 I1088 D1120 Y1123 S1142 | N1086-L1144 HydrophobicContact CB-CD2 4.31Å; I1088-L1144 HydrophobicContact CD1-CB 3.77Å; I1088-L1144 WeakPolarHBondContact CD1-O 3.32Å; I1088-L1144 HydrophobicContact CG1-CB 4.42Å; D1120-L1144 HydrophobicContact CB-CD1 4.22Å; D1120-L1144 VanDerWaalsContact CG-CD1 3.42Å; D1120-L1144 VanDerWaalsContact OD2-CD1 3.31Å; D1120-L1144 WeakPolarHBondContact OD2-CD1 3.29Å; Y1123-L1144 HydrophobicContact CD1-CD2 3.46Å; Y1123-L1144 VanDerWaalsContact CD1-CD2 3.46Å; Y1123-L1144 HydrophobicContact CE1-CD2 3.71Å; S1142-L1144 PolarHBondContact O-N 2.88Å | ||
| 1145 | Q | 76.1 | Confident | 63.5 | Low | 83 Ų | 83 | 83.4 Ų | 83.4 | 39% | 0.388 | 45% | 0.453 | S | S | . | . | trans | -90.8 | 138 | -173.4 | -57.9 | -158.3 | -42.7 | 0 | 0 | 110 | N1086 Q1089 E1143 N1147 | N1086-Q1145 PolarHBondContact ND2-O 3.14Å; Q1089-Q1145 PolarHBondContact NE2-O 2.89Å; Q1089-Q1145 VanDerWaalsContact NE2-O 3.15Å; E1143-Q1145 WeakPolarHBondContact O-CG 3.3Å; E1143-Q1145 PolarHBondContact O-N 3.32Å; Q1145-N1147 VanDerWaalsContact CB-O 3.26Å; Q1145-N1147 WeakPolarHBondContact CB-O 3.25Å | ||
| 1146 | L | 82.7 | Confident | 65.3 | Low | 41 Ų | 41 | 82 Ų | 82 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -64.5 | -62.3 | 167.4 | 180 | 58.5 | 0 | 0 | 0 | 108.4 | I1006 I1088 Q1089 W1092 | I1006-L1146 HydrophobicContact CD1-CD1 4.13Å; I1006-L1146 HydrophobicContact CD1-CG 3.91Å; I1006-L1146 WeakPolarHBondContact CD1-O 3.4Å; I1006-L1146 HydrophobicContact CG1-CD1 4.09Å; I1006-L1146 HydrophobicContact CG1-CG 4.03Å; I1006-L1146 HydrophobicContact CG2-CD2 3.71Å; I1006-L1146 HydrophobicContact CG2-CG 3.77Å; I1088-L1146 HydrophobicContact CG2-CB 4.25Å; I1088-L1146 HydrophobicContact CG2-CD1 4.41Å; Q1089-L1146 HydrophobicContact CG-CD1 4.27Å; Q1089-L1146 VanDerWaalsContact CG-O 3.27Å; Q1089-L1146 WeakPolarHBondContact CG-O 3.34Å; Q1089-L1146 PolarHBondContact NE2-O 3.46Å; W1092-L1146 HydrophobicContact CB-CD1 3.56Å; W1092-L1146 VanDerWaalsContact CD1-CD2 3.5Å; W1092-L1146 HydrophobicContact CD2-CD1 4.4Å; W1092-L1146 HydrophobicContact CG-CD1 3.72Å; W1092-L1146 HydrophobicContact CG-CD2 4.01Å |
| 1147 | N | 85.3 | Confident | 67.5 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 33% | 0.332 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -64.5 | 143.1 | 174.6 | -61.7 | 64.7 | 0 | 0 | 0 | 112.1 | N1002 D1007 Q1145 | N1002-N1147 WeakPolarHBondContact OD1-CA 3.39Å; N1002-N1147 VanDerWaalsContact OD1-CB 3.23Å; N1002-N1147 WeakPolarHBondContact OD1-CB 3.3Å; D1007-N1147 PolarHBondContact OD1-ND2 3.11Å; Q1145-N1147 VanDerWaalsContact CB-O 3.26Å; Q1145-N1147 WeakPolarHBondContact CB-O 3.25Å |
| 1148 | E | 84.1 | Confident | 69.5 | Low | 31 Ų | 31 | 82.7 Ų | 82.7 | 15% | 0.145 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 144.3 | 169.6 | 178 | 68.5 | 138.2 | 0 | 0 | 110.4 | H994 A998 F1001 N1002 R1057 | H994-E1148 IonicContact CE1-OE1 2.81Å; H994-E1148 PolarHBondContact CE1-OE1 2.86Å; H994-E1148 IonicContact ND1-OE1 3.66Å; A998-E1148 HydrophobicContact CB-CB 4.18Å; A998-E1148 HydrophobicContact CB-CG 3.74Å; F1001-E1148 HydrophobicContact CD1-CB 4.03Å; N1002-E1148 PolarHBondContact ND2-O 3.36Å; N1002-E1148 PolarHBondContact OD1-N 2.77Å; R1057-E1148 VanDerWaalsContact CZ-CD 3.5Å; R1057-E1148 IonicContact CZ-OE1 3.78Å; R1057-E1148 VanDerWaalsContact CZ-OE1 3.32Å; R1057-E1148 IonicContact CZ-OE2 2.75Å; R1057-E1148 IonicContact NH1-OE1 2.73Å; R1057-E1148 PolarHBondContact NH1-OE1 3.47Å; R1057-E1148 IonicContact NH1-OE2 2.68Å; R1057-E1148 PolarHBondContact NH1-OE2 2.84Å; R1057-E1148 IonicContact NH2-OE1 3.73Å; R1057-E1148 PolarHBondContact NH2-OE1 3.36Å; R1057-E1148 IonicContact NH2-OE2 2.66Å; R1057-E1148 PolarHBondContact NH2-OE2 3.35Å |
| 1149 | L | 80.5 | Confident | 71.6 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 38% | 0.382 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 138.2 | 176 | -65.5 | 176.1 | 0 | 0 | 0 | 110.9 | H994 A998 P1153 | H994-L1149 PolarHBondContact NE2-O 2.98Å; H994-L1149 VanDerWaalsContact NE2-O 3.07Å; A998-L1149 WeakPolarHBondContact CB-O 3.45Å; L1149-P1153 HydrophobicContact CD1-CG 4.22Å |
| 1150 | K | 79.8 | Confident | 73.4 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.6 | -22.9 | 178.9 | -69.1 | -176.2 | 178.5 | 179.5 | 0 | 113.4 | ||
| 1151 | E | 74.5 | Confident | 75.2 | Confident | 119 Ų | 119 | 72.1 Ų | 72.1 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -106.8 | 130.3 | 171.6 | -63.4 | -159.4 | 95 | 0 | 0 | 109.2 | R913 P1153 | R913-E1151 IonicContact CZ-OE1 3.14Å; R913-E1151 IonicContact NH1-OE1 2.74Å; R913-E1151 PolarHBondContact NH1-OE1 3.5Å; R913-E1151 IonicContact NH2-OE1 2.71Å; R913-E1151 PolarHBondContact NH2-OE1 3.26Å; E1151-P1153 VanDerWaalsContact O-CD 3.22Å; E1151-P1153 WeakPolarHBondContact O-CD 3.31Å |
| 1152 | L | 79.7 | Confident | 76.7 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | trans | -67 | 117.6 | 173.5 | -177.2 | 68.7 | 0 | 0 | 0 | 108.7 | Q991 H994 I1154 | Q991-L1152 HydrophobicContact CG-CB 4.18Å; Q991-L1152 HydrophobicContact CG-CD2 3.79Å; H994-L1152 HydrophobicContact CB-CB 4.19Å; H994-L1152 HydrophobicContact CB-CD1 4.18Å; H994-L1152 VanDerWaalsContact CD2-CA 3.43Å; H994-L1152 WeakPolarHBondContact CD2-CA 3.36Å; H994-L1152 VanDerWaalsContact CD2-CB 3.43Å; H994-L1152 WeakPolarHBondContact CD2-CB 3.47Å; H994-L1152 PolarHBondContact CD2-N 3.07Å; H994-L1152 VanDerWaalsContact CD2-N 3.32Å; H994-L1152 WeakPolarHBondContact NE2-CA 3.49Å; H994-L1152 PolarHBondContact NE2-N 2.75Å; L1152-I1154 VanDerWaalsContact C-N 3.29Å; L1152-I1154 HydrophobicContact CD1-CG1 4.49Å; L1152-I1154 HydrophobicContact CD2-CB 4.26Å; L1152-I1154 HydrophobicContact CD2-CD1 3.98Å; L1152-I1154 HydrophobicContact CD2-CG1 4.11Å; L1152-I1154 HydrophobicContact CG-CB 4.3Å; L1152-I1154 HydrophobicContact CG-CD1 4.31Å; L1152-I1154 HydrophobicContact CG-CG1 4.01Å; L1152-I1154 PolarHBondContact O-N 2.91Å | ||
| 1153 | P | 67 | Low | 78.4 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 34% | 0.344 | 35% | 0.354 | S | S | . | . | trans | -75.3 | 86.8 | 172.3 | 31.7 | -32.9 | 0 | 0 | 0 | 108.5 | Y1130 L1149 E1151 | Y1130-P1153 HydrophobicContact CD2-CB 4.3Å; Y1130-P1153 WeakPolarHBondContact CD2-O 3.47Å; Y1130-P1153 HydrophobicContact CE1-CB 4.35Å; Y1130-P1153 HydrophobicContact CE2-CB 3.76Å; Y1130-P1153 WeakPolarHBondContact CE2-O 3.25Å; L1149-P1153 HydrophobicContact CD1-CG 4.22Å; E1151-P1153 VanDerWaalsContact O-CD 3.22Å; E1151-P1153 WeakPolarHBondContact O-CD 3.31Å | ||
| 1154 | I | 71.7 | Confident | 79.5 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | trans | -147 | 125.2 | 166 | -67 | -170.2 | 0 | 0 | 0 | 107.6 | L1152 | L1152-I1154 VanDerWaalsContact C-N 3.29Å; L1152-I1154 HydrophobicContact CD1-CG1 4.49Å; L1152-I1154 HydrophobicContact CD2-CB 4.26Å; L1152-I1154 HydrophobicContact CD2-CD1 3.98Å; L1152-I1154 HydrophobicContact CD2-CG1 4.11Å; L1152-I1154 HydrophobicContact CG-CB 4.3Å; L1152-I1154 HydrophobicContact CG-CD1 4.31Å; L1152-I1154 HydrophobicContact CG-CG1 4.01Å; L1152-I1154 PolarHBondContact O-N 2.91Å | ||
| 1155 | P | 72.8 | Confident | 79.7 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | trans | -69.6 | 153 | 174.5 | 32.3 | -37 | 0 | 0 | 0 | 110.8 | T1134 L1157 | T1134-P1155 HydrophobicContact CG2-CG 3.92Å; P1155-L1157 PolarHBondContact O-N 3.36Å | ||
| 1156 | L | 84.4 | Confident | 79.6 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | trans | -63.1 | 123.2 | 175.2 | -175.5 | 62.1 | 0 | 0 | 0 | 110.8 | V905 D906 F909 L984 | V905-L1156 HydrophobicContact CG1-CD2 4.16Å; D906-L1156 HydrophobicContact CB-CD2 3.99Å; D906-L1156 VanDerWaalsContact OD1-CB 3.27Å; D906-L1156 WeakPolarHBondContact OD1-CB 3.38Å; D906-L1156 WeakPolarHBondContact OD1-CD2 3.14Å; F909-L1156 HydrophobicContact CB-CD2 3.88Å; F909-L1156 HydrophobicContact CD1-CD1 3.99Å; F909-L1156 HydrophobicContact CD1-CD2 4.29Å; F909-L1156 HydrophobicContact CD2-CD1 3.71Å; F909-L1156 HydrophobicContact CD2-CD2 4.36Å; F909-L1156 HydrophobicContact CE1-CD1 3.96Å; F909-L1156 HydrophobicContact CE2-CD1 3.66Å; F909-L1156 HydrophobicContact CG-CD1 3.88Å; F909-L1156 HydrophobicContact CG-CD2 3.95Å; F909-L1156 HydrophobicContact CZ-CD1 3.79Å; L984-L1156 HydrophobicContact CD2-CD1 3.87Å; L984-L1156 HydrophobicContact CD2-CG 4.47Å | ||
| 1157 | L | 86.1 | Confident | 78.6 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 58% | 0.581 | 32% | 0.323 | S | S | * | . | trans | -98.6 | 110 | 175.3 | -59.3 | 179.3 | 0 | 0 | 0 | 109.1 | Q987 P1155 P1159 | Q987-L1157 PolarHBondContact NE2-O 2.92Å; Q987-L1157 PolarHBondContact OE1-O 2.96Å; P1155-L1157 PolarHBondContact O-N 3.36Å; L1157-P1159 WeakPolarHBondContact O-CD 3.32Å | ||
| 1158 | L | 88 | Confident | 77.6 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | trans | -63.9 | 125.2 | 174.1 | -65.1 | 173.5 | 0 | 0 | 0 | 110.1 | L861 A902 V905 | L861-L1158 HydrophobicContact CD2-CD1 3.94Å; L861-L1158 HydrophobicContact CD2-CD2 4.42Å; A902-L1158 HydrophobicContact CB-CD1 3.69Å; V905-L1158 HydrophobicContact CB-CD2 4.15Å; V905-L1158 HydrophobicContact CG1-CD2 3.59Å | ||
| 1159 | P | 84.9 | Confident | 77.1 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.078 | 34% | 0.336 | C | S | . | . | trans | -61.1 | 143.5 | 179.1 | -21.7 | 32 | 0 | 0 | 0 | 112 | N981 A983 L984 L1157 Y1163 | N981-P1159 HydrophobicContact CB-CG 4.26Å; N981-P1159 WeakPolarHBondContact ND2-CB 2.86Å; A983-P1159 HydrophobicContact CB-CB 4.06Å; A983-P1159 HydrophobicContact CB-CG 3.79Å; L984-P1159 HydrophobicContact CD2-CG 4.26Å; L984-P1159 HydrophobicContact CG-CG 3.86Å; L1157-P1159 WeakPolarHBondContact O-CD 3.32Å; P1159-Y1163 HydrophobicContact CB-CE2 3.94Å; P1159-Y1163 WeakPolarHBondContact CD-OH 3.35Å; P1159-Y1163 WeakPolarHBondContact O-CE2 3.22Å; P1159-Y1163 PolarHBondContact O-OH 2.8Å | ||
| 1160 | A | 76.5 | Confident | 76.5 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -76.2 | -50.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H862 Y1163 | H862-A1160 PolarHBondContact ND1-O 2.95Å; A1160-Y1163 WeakPolarHBondContact O-CE2 3.48Å |
| 1161 | D | 78.1 | Confident | 76.1 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -125.5 | -177.9 | -169.9 | -42.6 | -57.8 | 0 | 0 | 0 | 111.1 | N981 | N981-D1161 PolarHBondContact ND2-O 3.19Š|
| 1162 | G | 76.3 | Confident | 76.2 | Confident | 42 Ų | 42 | 48 Ų | 48 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | trans | 84 | 18.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N981 P982 | N981-G1162 VanDerWaalsContact ND2-C 3.31Å; N981-G1162 PolarHBondContact ND2-O 2.75Å; P982-G1162 WeakPolarHBondContact CD-O 3.25Å | ||
| 1163 | Y | 87.4 | Confident | 76.1 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | trans | -79.7 | 156.7 | 173.4 | -66.7 | -90.4 | 0 | 0 | 0 | 110.8 | S858 E859 H862 N981 P1159 A1160 S1165 D1166 | S858-Y1163 WeakPolarHBondContact O-CE1 3.23Å; E859-Y1163 WeakPolarHBondContact OE2-CB 3.42Å; H862-Y1163 HydrophobicContact CB-CD1 3.77Å; H862-Y1163 HydrophobicContact CB-CD2 3.99Å; H862-Y1163 HydrophobicContact CB-CE1 3.8Å; H862-Y1163 HydrophobicContact CB-CE2 4.01Å; H862-Y1163 HydrophobicContact CB-CG 3.85Å; H862-Y1163 AromaticContact CE1-CD2 3.49Å; H862-Y1163 VanDerWaalsContact CE1-CD2 3.49Å; H862-Y1163 WeakPolarHBondContact CE1-CD2 3.04Å; H862-Y1163 AromaticContact CG-CD2 3.52Å; H862-Y1163 AromaticContact CG-CE2 3.89Å; H862-Y1163 AromaticContact CG-CG 3.58Å; H862-Y1163 AromaticContact ND1-CD2 3Å; H862-Y1163 WeakPolarHBondContact ND1-CD2 3.19Å; H862-Y1163 AromaticContact ND1-CE2 3.32Å; H862-Y1163 VanDerWaalsContact ND1-CE2 3.32Å; H862-Y1163 WeakPolarHBondContact ND1-CE2 3.28Å; H862-Y1163 AromaticContact ND1-CG 3.57Å; N981-Y1163 HydrophobicContact CB-CD1 4.33Å; N981-Y1163 HydrophobicContact CB-CE1 4.19Å; N981-Y1163 VanDerWaalsContact ND2-CD2 3.34Å; N981-Y1163 WeakPolarHBondContact ND2-CD2 3.2Å; N981-Y1163 VanDerWaalsContact ND2-CE2 3.33Å; N981-Y1163 WeakPolarHBondContact ND2-CE2 3.4Å; P1159-Y1163 HydrophobicContact CB-CE2 3.94Å; P1159-Y1163 WeakPolarHBondContact CD-OH 3.35Å; P1159-Y1163 WeakPolarHBondContact O-CE2 3.22Å; P1159-Y1163 PolarHBondContact O-OH 2.8Å; A1160-Y1163 WeakPolarHBondContact O-CE2 3.48Å; Y1163-S1165 PolarHBondContact O-N 3.49Å; Y1163-D1166 PolarHBondContact O-N 3.43Å | ||
| 1164 | V | 81.4 | Confident | 76.4 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.9 | -33.6 | -171.5 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | L785 E859 R979 D1166 A1167 V1168 L1169 | L785-V1164 HydrophobicContact CD1-CB 3.94Å; L785-V1164 HydrophobicContact CD1-CG1 4.48Å; L785-V1164 HydrophobicContact CD1-CG2 3.6Å; E859-V1164 WeakPolarHBondContact OE1-CB 3.21Å; E859-V1164 PolarHBondContact OE1-N 2.94Å; E859-V1164 PolarHBondContact OE2-N 3.47Å; E859-V1164 VanDerWaalsContact OE2-N 3.14Å; R979-V1164 HydrophobicContact CB-CG2 3.75Å; V1164-D1166 VanDerWaalsContact C-N 3.28Å; V1164-D1166 PolarHBondContact O-N 2.89Å; V1164-A1167 PolarHBondContact O-N 3.3Å; V1164-V1168 HydrophobicContact CG1-CB 4.08Å; V1164-V1168 PolarHBondContact O-N 3.14Å; V1164-V1168 VanDerWaalsContact O-N 3.07Å; V1164-L1169 HydrophobicContact CG1-CB 4.45Å; V1164-L1169 HydrophobicContact CG1-CD1 3.61Å; V1164-L1169 HydrophobicContact CG1-CG 3.75Å; V1164-L1169 PolarHBondContact O-N 3.01Å; V1164-L1169 VanDerWaalsContact O-N 3.16Å |
| 1165 | S | 76.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -22.1 | 173.5 | 59.8 | 0 | 0 | 0 | 0 | 116.2 | E859 H862 F863 Y1163 P1205 W1206 T1207 | E859-S1165 WeakPolarHBondContact OE1-CB 3.42Å; E859-S1165 PolarHBondContact OE1-N 2.82Å; E859-S1165 PolarHBondContact OE1-OG 2.93Å; H862-S1165 PolarHBondContact CD2-OG 2.85Å; F863-S1165 VanDerWaalsContact CE1-CB 3.46Å; Y1163-S1165 PolarHBondContact O-N 3.49Å; S1165-P1205 WeakPolarHBondContact O-CB 3.46Å; S1165-W1206 PolarHBondContact O-N 3.34Å; S1165-W1206 VanDerWaalsContact O-N 3.15Å; S1165-T1207 PolarHBondContact O-N 3.06Å; S1165-T1207 VanDerWaalsContact O-N 3.16Å; S1165-T1207 PolarHBondContact O-OG1 2.94Å; S1165-T1207 VanDerWaalsContact OG-CG2 3.3Å; S1165-T1207 WeakPolarHBondContact OG-CG2 3.43Å |
| 1166 | D | 72.5 | Confident | 77.6 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -88.3 | -38.3 | 174.4 | -80.5 | -50.1 | 0 | 0 | 0 | 112.2 | H862 Y1163 V1164 P1205 T1207 R1211 | H862-D1166 IonicContact CE1-OD2 3.33Å; H862-D1166 PolarHBondContact CE1-OD2 2.89Å; H862-D1166 VanDerWaalsContact CE1-OD2 3.24Å; H862-D1166 IonicContact NE2-OD2 2.92Å; H862-D1166 PolarHBondContact NE2-OD2 3.44Å; Y1163-D1166 PolarHBondContact O-N 3.43Å; V1164-D1166 VanDerWaalsContact C-N 3.28Å; V1164-D1166 PolarHBondContact O-N 2.89Å; D1166-P1205 VanDerWaalsContact O-CB 3.3Å; D1166-P1205 WeakPolarHBondContact O-CB 3.23Å; D1166-T1207 VanDerWaalsContact OD1-CB 3.28Å; D1166-T1207 WeakPolarHBondContact OD1-CB 3.46Å; D1166-T1207 WeakPolarHBondContact OD1-CG2 3.37Å; D1166-T1207 PolarHBondContact OD1-OG1 3.16Å; D1166-R1211 IonicContact OD1-CZ 3.26Å; D1166-R1211 IonicContact OD1-NH1 3.41Å; D1166-R1211 PolarHBondContact OD1-NH1 3Å; D1166-R1211 VanDerWaalsContact OD1-NH1 3.07Å; D1166-R1211 IonicContact OD1-NH2 2.73Å |
| 1167 | A | 63 | Low | 77.6 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -120.8 | -22 | -156.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1164 | V1164-A1167 PolarHBondContact O-N 3.3Å |
| 1168 | V | 64.6 | Low | 77.5 | Confident | 107 Ų | 107 | 44.7 Ų | 44.7 | 65% | 0.648 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | -29.3 | -168.5 | -176.3 | 0 | 0 | 0 | 0 | 113.5 | V1164 | V1164-V1168 HydrophobicContact CG1-CB 4.08Å; V1164-V1168 PolarHBondContact O-N 3.14Å; V1164-V1168 VanDerWaalsContact O-N 3.07Å |
| 1169 | L | 72.1 | Confident | 77.5 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | trans | -104.5 | 102.4 | 179.7 | -73.5 | 173.6 | 0 | 0 | 0 | 112 | F783 Y789 V1164 P1173 W1206 | F783-L1169 HydrophobicContact CE2-CD1 3.69Å; F783-L1169 HydrophobicContact CZ-CD1 3.58Å; Y789-L1169 HydrophobicContact CE1-CD1 4.29Å; Y789-L1169 HydrophobicContact CE2-CD1 4.38Å; Y789-L1169 VanDerWaalsContact OH-CD1 3.32Å; Y789-L1169 WeakPolarHBondContact OH-CD1 3.26Å; V1164-L1169 HydrophobicContact CG1-CB 4.45Å; V1164-L1169 HydrophobicContact CG1-CD1 3.61Å; V1164-L1169 HydrophobicContact CG1-CG 3.75Å; V1164-L1169 PolarHBondContact O-N 3.01Å; V1164-L1169 VanDerWaalsContact O-N 3.16Å; L1169-P1173 HydrophobicContact CD1-CB 4.32Å; L1169-P1173 HydrophobicContact CD1-CG 4.01Å; L1169-P1173 HydrophobicContact CD2-CB 3.94Å; L1169-P1173 HydrophobicContact CD2-CG 4.05Å; L1169-P1173 HydrophobicContact CG-CG 4.46Å; L1169-W1206 PolarHBondContact O-N 3.12Å | ||
| 1170 | S | 68.2 | Low | 77.6 | Confident | 51 Ų | 51 | 41.5 Ų | 41.5 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 162.3 | 159.5 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | E1202 R1204 | S1170-E1202 CarbonylContact C-O 3.58Å; S1170-E1202 WeakPolarHBondContact CB-O 3.36Å; S1170-E1202 PolarHBondContact OG-O 3.06Å; S1170-E1202 VanDerWaalsContact OG-O 3.12Å; S1170-R1204 WeakPolarHBondContact CA-O 3.35Å; S1170-R1204 VanDerWaalsContact CB-O 3.26Å; S1170-R1204 WeakPolarHBondContact CB-O 3.18Å |
| 1171 | G | 72.1 | Confident | 78.1 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 65.7 | -152.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1202 W1206 | G1171-E1202 PolarHBondContact N-O 3.21Å; G1171-E1202 VanDerWaalsContact N-O 3.11Å; G1171-W1206 PolarHBondContact O-NE1 3.11Å |
| 1172 | I | 76.8 | Confident | 78.3 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -95.6 | 124 | 176.3 | -58.6 | 165.5 | 0 | 0 | 0 | 108.5 | P729 L730 D1174 L1177 K1193 | P729-I1172 HydrophobicContact CB-CG1 3.91Å; L730-I1172 HydrophobicContact CB-CG1 4.38Å; L730-I1172 HydrophobicContact CD1-CD1 3.98Å; L730-I1172 HydrophobicContact CD1-CG1 4.45Å; L730-I1172 HydrophobicContact CD2-CG2 4.37Å; I1172-D1174 PolarHBondContact O-N 2.94Å; I1172-L1177 HydrophobicContact CG2-CD1 4.24Å; I1172-L1177 HydrophobicContact CG2-CG 4.11Å; I1172-K1193 HydrophobicContact CD1-CB 4.04Å; I1172-K1193 HydrophobicContact CD1-CD 4.09Å; I1172-K1193 HydrophobicContact CD1-CG 3.93Å |
| 1173 | P | 77.8 | Confident | 78.8 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 131.1 | 177.1 | -21.1 | 31.8 | 0 | 0 | 0 | 112.9 | F783 Y789 L1169 G1175 L1176 | F783-P1173 HydrophobicContact CD1-CB 4.16Å; F783-P1173 HydrophobicContact CD2-CB 4.41Å; F783-P1173 HydrophobicContact CE1-CB 3.85Å; F783-P1173 HydrophobicContact CE1-CG 4.09Å; F783-P1173 HydrophobicContact CE2-CB 4.15Å; F783-P1173 HydrophobicContact CG-CB 4.44Å; F783-P1173 HydrophobicContact CZ-CB 3.85Å; F783-P1173 HydrophobicContact CZ-CG 4.06Å; Y789-P1173 HydrophobicContact CD1-CG 4.12Å; Y789-P1173 HydrophobicContact CE1-CG 3.95Å; L1169-P1173 HydrophobicContact CD1-CB 4.32Å; L1169-P1173 HydrophobicContact CD1-CG 4.01Å; L1169-P1173 HydrophobicContact CD2-CB 3.94Å; L1169-P1173 HydrophobicContact CD2-CG 4.05Å; L1169-P1173 HydrophobicContact CG-CG 4.46Å; P1173-G1175 PolarHBondContact O-N 3.48Å; P1173-L1176 HydrophobicContact CB-CB 4.24Å; P1173-L1176 HydrophobicContact CG-CD2 4.3Å; P1173-L1176 VanDerWaalsContact O-CB 3.3Å; P1173-L1176 WeakPolarHBondContact O-CB 3.49Å; P1173-L1176 PolarHBondContact O-N 2.8Å; P1173-L1176 VanDerWaalsContact O-N 3.12Å |
| 1174 | D | 73.8 | Confident | 78.8 | Confident | 104 Ų | 104 | 42.5 Ų | 42.5 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 137.2 | 165 | -75.4 | -6.5 | 0 | 0 | 0 | 110.5 | R781 F783 I1172 L1176 | R781-D1174 IonicContact CZ-OD2 2.58Å; R781-D1174 IonicContact NH1-OD2 3.88Å; R781-D1174 PolarHBondContact NH1-OD2 2.87Å; F783-D1174 WeakPolarHBondContact CB-O 3.27Å; I1172-D1174 PolarHBondContact O-N 2.94Å; D1174-L1176 VanDerWaalsContact C-N 3.27Å; D1174-L1176 PolarHBondContact O-N 3.38Å |
| 1175 | G | 80.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 50 Ų | 50 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -20.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R781 P1173 L1177 D1178 F1179 | R781-G1175 VanDerWaalsContact O-CA 3.28Å; R781-G1175 WeakPolarHBondContact O-CA 3.26Å; P1173-G1175 PolarHBondContact O-N 3.48Å; G1175-L1177 VanDerWaalsContact C-N 3.35Å; G1175-L1177 PolarHBondContact O-N 2.77Å; G1175-D1178 WeakPolarHBondContact CA-OD2 3.47Å; G1175-D1178 PolarHBondContact O-N 3.25Å; G1175-F1179 WeakPolarHBondContact O-CB 3.05Å; G1175-F1179 PolarHBondContact O-N 3.49Å |
| 1176 | L | 87.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.9 | -178.7 | 61.4 | 0 | 0 | 0 | 111.7 | L730 F783 Y789 L793 P1173 D1174 L1180 W1206 | L730-L1176 HydrophobicContact CD2-CD2 4Å; L730-L1176 HydrophobicContact CD2-CG 4.4Å; F783-L1176 HydrophobicContact CD1-CB 3.98Å; F783-L1176 HydrophobicContact CD1-CD1 4.29Å; F783-L1176 HydrophobicContact CE1-CB 4.39Å; F783-L1176 HydrophobicContact CE1-CD1 4.41Å; Y789-L1176 HydrophobicContact CD1-CD2 4.28Å; L793-L1176 HydrophobicContact CD1-CD2 4.25Å; P1173-L1176 HydrophobicContact CB-CB 4.24Å; P1173-L1176 HydrophobicContact CG-CD2 4.3Å; P1173-L1176 VanDerWaalsContact O-CB 3.3Å; P1173-L1176 WeakPolarHBondContact O-CB 3.49Å; P1173-L1176 PolarHBondContact O-N 2.8Å; P1173-L1176 VanDerWaalsContact O-N 3.12Å; D1174-L1176 VanDerWaalsContact C-N 3.27Å; D1174-L1176 PolarHBondContact O-N 3.38Å; L1176-L1180 HydrophobicContact CG-CD1 4.37Å; L1176-L1180 VanDerWaalsContact O-CG 3.29Å; L1176-L1180 WeakPolarHBondContact O-CG 3.42Å; L1176-L1180 PolarHBondContact O-N 3.13Å; L1176-L1180 VanDerWaalsContact O-N 3.11Å; L1176-W1206 HydrophobicContact CD2-CH2 4.24Å; L1176-W1206 HydrophobicContact CD2-CZ2 4.4Å |
| 1177 | L | 85.3 | Confident | 79.6 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 175.9 | -67.3 | 170.1 | 0 | 0 | 0 | 111.9 | L730 I1172 G1175 L1180 H1181 V1191 K1193 | L730-L1177 HydrophobicContact CD1-CD2 4.02Å; L730-L1177 HydrophobicContact CD2-CD2 4.11Å; I1172-L1177 HydrophobicContact CG2-CD1 4.24Å; I1172-L1177 HydrophobicContact CG2-CG 4.11Å; G1175-L1177 VanDerWaalsContact C-N 3.35Å; G1175-L1177 PolarHBondContact O-N 2.77Å; L1177-L1180 PolarHBondContact O-N 3.26Å; L1177-H1181 PolarHBondContact O-N 3.08Å; L1177-V1191 HydrophobicContact CD2-CG1 4.16Å; L1177-K1193 VanDerWaalsContact CD1-CE 3.46Å |
| 1178 | D | 83 | Confident | 80.5 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.9 | -40.5 | 179.4 | -51.2 | -40.5 | 0 | 0 | 0 | 110.5 | G1175 L1180 H1181 P1182 | G1175-D1178 WeakPolarHBondContact CA-OD2 3.47Å; G1175-D1178 PolarHBondContact O-N 3.25Å; D1178-L1180 VanDerWaalsContact C-N 3.34Å; D1178-L1180 PolarHBondContact O-N 2.96Å; D1178-H1181 VanDerWaalsContact O-CB 3.26Å; D1178-H1181 WeakPolarHBondContact O-CB 3.34Å; D1178-H1181 PolarHBondContact O-N 3.03Å; D1178-P1182 WeakPolarHBondContact O-CD 3.43Å |
| 1179 | F | 87.6 | Confident | 81.7 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -35.2 | 171.7 | 177.1 | -95.2 | 0 | 0 | 0 | 113.2 | I756 C759 T760 S786 A790 G1175 P1182 | I756-F1179 HydrophobicContact CG2-CE1 4.36Å; I756-F1179 HydrophobicContact CG2-CZ 4.38Å; C759-F1179 HydrophobicContact CB-CE2 4.16Å; C759-F1179 HydrophobicContact CB-CZ 4.12Å; T760-F1179 HydrophobicContact CG2-CE2 3.73Å; T760-F1179 HydrophobicContact CG2-CZ 3.54Å; S786-F1179 VanDerWaalsContact CB-CG 3.43Å; S786-F1179 WeakPolarHBondContact OG-CD2 2.91Å; A790-F1179 HydrophobicContact CB-CD1 4.2Å; A790-F1179 HydrophobicContact CB-CE1 3.75Å; G1175-F1179 WeakPolarHBondContact O-CB 3.05Å; G1175-F1179 PolarHBondContact O-N 3.49Å; F1179-P1182 WeakPolarHBondContact O-CD 3.5Å |
| 1180 | L | 88.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.9 | -15.7 | 175.2 | -67.6 | 175.1 | 0 | 0 | 0 | 113.1 | L730 I732 A790 L793 L1176 L1177 D1178 P1182 L1183 I1184 I1189 V1191 | L730-L1180 HydrophobicContact CD2-CD1 4.05Å; I732-L1180 HydrophobicContact CG2-CD1 4.36Å; A790-L1180 HydrophobicContact CB-CD2 3.84Å; L793-L1180 HydrophobicContact CD1-CD1 4.44Å; L1176-L1180 HydrophobicContact CG-CD1 4.37Å; L1176-L1180 VanDerWaalsContact O-CG 3.29Å; L1176-L1180 WeakPolarHBondContact O-CG 3.42Å; L1176-L1180 PolarHBondContact O-N 3.13Å; L1176-L1180 VanDerWaalsContact O-N 3.11Å; L1177-L1180 PolarHBondContact O-N 3.26Å; D1178-L1180 VanDerWaalsContact C-N 3.34Å; D1178-L1180 PolarHBondContact O-N 2.96Å; L1180-P1182 VanDerWaalsContact C-CD 3.5Å; L1180-L1183 HydrophobicContact CD2-CD1 4.12Å; L1180-L1183 WeakPolarHBondContact O-CB 3.41Å; L1180-L1183 PolarHBondContact O-N 3.08Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.27Å; L1180-I1184 PolarHBondContact O-N 3.04Å; L1180-I1189 HydrophobicContact CB-CD1 4.33Å; L1180-I1189 HydrophobicContact CD2-CD1 3.88Å; L1180-V1191 HydrophobicContact CD1-CG2 4.41Å |
| 1181 | H | 86 | Confident | 83.4 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58 | -38.4 | -175.1 | -173 | -96 | 0 | 0 | 0 | 114.8 | L1177 D1178 L1183 I1184 K1185 | L1177-H1181 PolarHBondContact O-N 3.08Å; D1178-H1181 VanDerWaalsContact O-CB 3.26Å; D1178-H1181 WeakPolarHBondContact O-CB 3.34Å; D1178-H1181 PolarHBondContact O-N 3.03Å; H1181-L1183 VanDerWaalsContact C-N 3.32Å; H1181-L1183 PolarHBondContact O-N 2.69Å; H1181-I1184 PolarHBondContact O-N 2.95Å; H1181-K1185 WeakPolarHBondContact O-CB 3.49Å; H1181-K1185 PolarHBondContact O-N 3.47Å |
| 1182 | P | 83.4 | Confident | 83.9 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 172 | -25.4 | 35.6 | 0 | 0 | 0 | 112.9 | D1178 F1179 L1180 K1185 T1186 | D1178-P1182 WeakPolarHBondContact O-CD 3.43Å; F1179-P1182 WeakPolarHBondContact O-CD 3.5Å; L1180-P1182 VanDerWaalsContact C-CD 3.5Å; P1182-K1185 PolarHBondContact O-N 2.94Å; P1182-T1186 PolarHBondContact O-N 3.1Å; P1182-T1186 PolarHBondContact O-OG1 3.05Å |
| 1183 | L | 86.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.8 | -31.9 | -177.9 | -57.5 | 171.4 | 0 | 0 | 0 | 112.4 | L752 H755 I756 L1180 H1181 T1186 L1188 I1189 | L752-L1183 HydrophobicContact CD1-CD1 4.41Å; H755-L1183 HydrophobicContact CB-CD2 3.88Å; I756-L1183 HydrophobicContact CD1-CD1 4.47Å; I756-L1183 HydrophobicContact CG1-CD1 3.52Å; L1180-L1183 HydrophobicContact CD2-CD1 4.12Å; L1180-L1183 WeakPolarHBondContact O-CB 3.41Å; L1180-L1183 PolarHBondContact O-N 3.08Å; H1181-L1183 VanDerWaalsContact C-N 3.32Å; H1181-L1183 PolarHBondContact O-N 2.69Å; L1183-T1186 WeakPolarHBondContact CA-OG1 3.45Å; L1183-T1186 PolarHBondContact O-OG1 2.64Å; L1183-T1186 VanDerWaalsContact O-OG1 3.04Å; L1183-L1188 HydrophobicContact CD2-CD1 4.1Å; L1183-L1188 PolarHBondContact O-N 3.15Å; L1183-L1188 VanDerWaalsContact O-N 3.08Å; L1183-I1189 HydrophobicContact CB-CD1 3.66Å; L1183-I1189 HydrophobicContact CB-CG1 3.74Å; L1183-I1189 HydrophobicContact CD1-CD1 4.12Å; L1183-I1189 PolarHBondContact O-N 3.25Å |
| 1184 | I | 86.4 | Confident | 83.7 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 169.2 | -60.9 | 168.6 | 0 | 0 | 0 | 109.6 | L1180 H1181 T1186 G1187 I1189 V1191 | L1180-I1184 WeakPolarHBondContact O-CG1 3.27Å; L1180-I1184 PolarHBondContact O-N 3.04Å; H1181-I1184 PolarHBondContact O-N 2.95Å; I1184-T1186 VanDerWaalsContact C-N 3.28Å; I1184-T1186 PolarHBondContact O-N 2.94Å; I1184-G1187 PolarHBondContact O-N 3.49Å; I1184-I1189 HydrophobicContact CG1-CG1 4.13Å; I1184-V1191 HydrophobicContact CD1-CB 4.11Å; I1184-V1191 HydrophobicContact CD1-CG2 3.63Å; I1184-V1191 HydrophobicContact CG1-CG2 3.73Å |
| 1185 | K | 81.7 | Confident | 83 | Confident | 173 Ų | 173 | 60 Ų | 60 | 75% | 0.752 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.5 | -31.2 | -179.4 | -174.4 | -179.6 | 176.7 | -175.2 | 0 | 112.8 | H1181 P1182 G1187 | H1181-K1185 WeakPolarHBondContact O-CB 3.49Å; H1181-K1185 PolarHBondContact O-N 3.47Å; P1182-K1185 PolarHBondContact O-N 2.94Å; K1185-G1187 VanDerWaalsContact C-N 3.27Å; K1185-G1187 PolarHBondContact O-N 3.34Å |
| 1186 | T | 83.7 | Confident | 81.4 | Confident | 89 Ų | 89 | 62 Ų | 62 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -2.2 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | P1182 L1183 I1184 L1188 | P1182-T1186 PolarHBondContact O-N 3.1Å; P1182-T1186 PolarHBondContact O-OG1 3.05Å; L1183-T1186 WeakPolarHBondContact CA-OG1 3.45Å; L1183-T1186 PolarHBondContact O-OG1 2.64Å; L1183-T1186 VanDerWaalsContact O-OG1 3.04Å; I1184-T1186 VanDerWaalsContact C-N 3.28Å; I1184-T1186 PolarHBondContact O-N 2.94Å; T1186-L1188 VanDerWaalsContact C-N 3.26Å; T1186-L1188 PolarHBondContact O-N 2.79Å; T1186-L1188 WeakPolarHBondContact OG1-CD1 3.32Å; T1186-L1188 WeakPolarHBondContact OG1-CG 3.32Å |
| 1187 | G | 82.5 | Confident | 79.1 | Confident | 28 Ų | 28 | 68 Ų | 68 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 22.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1184 K1185 | I1184-G1187 PolarHBondContact O-N 3.49Å; K1185-G1187 VanDerWaalsContact C-N 3.27Å; K1185-G1187 PolarHBondContact O-N 3.34Å |
| 1188 | L | 82.9 | Confident | 76.9 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 24% | 0.241 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -82.8 | -37.7 | 177.8 | -68.2 | 174.4 | 0 | 0 | 0 | 111.3 | E735 H755 L1183 T1186 | E735-L1188 PolarHBondContact N-O 3.35Å; H755-L1188 HydrophobicContact CB-CD1 4.08Å; L1183-L1188 HydrophobicContact CD2-CD1 4.1Å; L1183-L1188 PolarHBondContact O-N 3.15Å; L1183-L1188 VanDerWaalsContact O-N 3.08Å; T1186-L1188 VanDerWaalsContact C-N 3.26Å; T1186-L1188 PolarHBondContact O-N 2.79Å; T1186-L1188 WeakPolarHBondContact OG1-CD1 3.32Å; T1186-L1188 WeakPolarHBondContact OG1-CG 3.32Å |
| 1189 | I | 89.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.7 | -178 | 61.9 | 176.8 | 0 | 0 | 0 | 113.1 | I732 E733 L752 L1180 L1183 I1184 V1191 | I732-I1189 HydrophobicContact CD1-CG2 4.32Å; I732-I1189 HydrophobicContact CG2-CD1 4.44Å; E733-I1189 WeakPolarHBondContact O-CA 3.28Å; L752-I1189 HydrophobicContact CD1-CG2 3.59Å; L752-I1189 HydrophobicContact CD2-CG2 3.52Å; L752-I1189 HydrophobicContact CG-CG2 4.24Å; L1180-I1189 HydrophobicContact CB-CD1 4.33Å; L1180-I1189 HydrophobicContact CD2-CD1 3.88Å; L1183-I1189 HydrophobicContact CB-CD1 3.66Å; L1183-I1189 HydrophobicContact CB-CG1 3.74Å; L1183-I1189 HydrophobicContact CD1-CD1 4.12Å; L1183-I1189 PolarHBondContact O-N 3.25Å; I1184-I1189 HydrophobicContact CG1-CG1 4.13Å; I1189-V1191 HydrophobicContact CD1-CG2 4.06Å; I1189-V1191 HydrophobicContact CG1-CG2 4.25Å |
| 1190 | K | 86.9 | Confident | 73.3 | Confident | 105 Ų | 105 | 74.9 Ų | 74.9 | 46% | 0.457 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.8 | 165.4 | -161.6 | -175.6 | -153.2 | 90.5 | 0 | 109.1 | E733 E735 | E733-K1190 PolarHBondContact N-O 2.88Å; E733-K1190 PolarHBondContact O-N 3.36Å; E735-K1190 IonicContact OE1-NZ 2.75Å; E735-K1190 PolarHBondContact OE1-NZ 2.91Å |
| 1191 | V | 88.5 | Confident | 71.6 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 120.3 | -179 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L730 I732 L1177 L1180 I1184 I1189 | L730-V1191 HydrophobicContact CD1-CG1 3.43Å; L730-V1191 VanDerWaalsContact CD1-CG1 3.43Å; L730-V1191 HydrophobicContact CD2-CG1 4.18Å; L730-V1191 HydrophobicContact CG-CG1 3.89Å; I732-V1191 HydrophobicContact CG2-CG2 3.97Å; L1177-V1191 HydrophobicContact CD2-CG1 4.16Å; L1180-V1191 HydrophobicContact CD1-CG2 4.41Å; I1184-V1191 HydrophobicContact CD1-CB 4.11Å; I1184-V1191 HydrophobicContact CD1-CG2 3.63Å; I1184-V1191 HydrophobicContact CG1-CG2 3.73Å; I1189-V1191 HydrophobicContact CD1-CG2 4.06Å; I1189-V1191 HydrophobicContact CG1-CG2 4.25Å |
| 1192 | K | 83.4 | Confident | 69.9 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 115.8 | 173 | -68.9 | 178.2 | 177 | 170.4 | 0 | 109.7 | S731 E733 | S731-K1192 PolarHBondContact N-O 3.05Å; S731-K1192 PolarHBondContact O-N 3.27Å; E733-K1192 IonicContact OE1-NZ 3.8Å; E733-K1192 PolarHBondContact OE1-NZ 2.82Å; E733-K1192 WeakPolarHBondContact OE2-CE 3.41Å; E733-K1192 IonicContact OE2-NZ 3.8Å; E733-K1192 PolarHBondContact OE2-NZ 3.34Å |
| 1193 | K | 81.8 | Confident | 68.5 | Low | 131 Ų | 131 | 80.8 Ų | 80.8 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.2 | 166.3 | -54.5 | -175.3 | -173.2 | -174.8 | 0 | 108.5 | L730 I1172 L1177 | L730-K1193 HydrophobicContact CD1-CB 4.4Å; L730-K1193 HydrophobicContact CD1-CG 3.85Å; I1172-K1193 HydrophobicContact CD1-CB 4.04Å; I1172-K1193 HydrophobicContact CD1-CD 4.09Å; I1172-K1193 HydrophobicContact CD1-CG 3.93Å; L1177-K1193 VanDerWaalsContact CD1-CE 3.46Å |
| 1194 | H | 69.2 | Low | 67.4 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | trans | -99.7 | 92.7 | 178.4 | -65.9 | -70.3 | 0 | 0 | 0 | 110.1 | Q727 L728 P729 S731 | Q727-H1194 VanDerWaalsContact CD-ND1 3.3Å; Q727-H1194 HydrophobicContact CG-CB 3.98Å; Q727-H1194 PolarHBondContact NE2-ND1 3.34Å; Q727-H1194 PolarHBondContact OE1-ND1 3.4Å; L728-H1194 PolarHBondContact O-CD2 2.85Å; P729-H1194 PolarHBondContact O-N 3.35Å; S731-H1194 WeakPolarHBondContact CB-NE2 3.24Å; S731-H1194 PolarHBondContact N-NE2 2.84Å; S731-H1194 PolarHBondContact OG-NE2 2.9Å | ||
| 1195 | S | 57.6 | Low | 66.4 | Low | 112 Ų | 112 | 81.6 Ų | 81.6 | 78% | 0.783 | 44% | 0.436 | S | S | * | . | trans | -74 | 142.2 | 177.5 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1196 | I | 48.9 | Very low | 65.9 | Low | 46 Ų | 46 | 73.3 Ų | 73.3 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | trans | -61.7 | 142.4 | -170.4 | -77.6 | -174.1 | 0 | 0 | 0 | 114.9 | I1201 E1202 | I1196-I1201 HydrophobicContact CD1-CB 4.45Å; I1196-I1201 HydrophobicContact CG1-CB 4.18Å; I1196-E1202 HydrophobicContact CD1-CB 3.77Å; I1196-E1202 HydrophobicContact CD1-CG 3.57Å; I1196-E1202 WeakPolarHBondContact CD1-OE1 3.34Å; I1196-E1202 HydrophobicContact CG1-CG 4.29Å | ||
| 1197 | V | 38 | Very low | 65 | Low | 127 Ų | 127 | 69.1 Ų | 69.1 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -112.9 | 125.1 | 142.6 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | ||
| 1198 | N | 39.3 | Very low | 64.2 | Low | 143 Ų | 143 | 71.2 Ų | 71.2 | 77% | 0.765 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 63.1 | 54.6 | 175.2 | -57 | 0.1 | 0 | 0 | 0 | 117.7 | Q1200 | N1198-Q1200 WeakPolarHBondContact O-CG 3.48Å; N1198-Q1200 PolarHBondContact O-N 2.91Å |
| 1199 | G | 45.7 | Very low | 63.2 | Low | 51 Ų | 51 | 69.8 Ų | 69.8 | 53% | 0.526 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 63.3 | -7.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||
| 1200 | Q | 49 | Very low | 62 | Low | 119 Ų | 119 | 69.8 Ų | 69.8 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | trans | -89.3 | -12.4 | -162.1 | -79.6 | -71.9 | -43.6 | 0 | 0 | 117.1 | N1198 R1204 | N1198-Q1200 WeakPolarHBondContact O-CG 3.48Å; N1198-Q1200 PolarHBondContact O-N 2.91Å; Q1200-R1204 WeakPolarHBondContact O-CD 3.24Å; Q1200-R1204 VanDerWaalsContact O-CG 3.22Å; Q1200-R1204 WeakPolarHBondContact O-CG 3.25Å; Q1200-R1204 PolarHBondContact O-NE 3.18Å; Q1200-R1204 VanDerWaalsContact O-NE 3.13Å | ||
| 1201 | I | 52.7 | Low | 60.6 | Low | 41 Ų | 41 | 69.3 Ų | 69.3 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -100.9 | -37.7 | -169.1 | -61.3 | 175.9 | 0 | 0 | 0 | 113.4 | P729 I1196 N1203 R1204 | P729-I1201 HydrophobicContact CG-CG2 4.28Å; I1196-I1201 HydrophobicContact CD1-CB 4.45Å; I1196-I1201 HydrophobicContact CG1-CB 4.18Å; I1201-N1203 PolarHBondContact O-N 3.12Å; I1201-R1204 PolarHBondContact O-N 3Å; I1201-R1204 VanDerWaalsContact O-N 3.1Å |
| 1202 | E | 50.3 | Low | 58.2 | Low | 118 Ų | 118 | 70.3 Ų | 70.3 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.6 | -174.4 | -86.7 | 157.1 | -157.6 | 0 | 0 | 113.2 | S1170 G1171 I1196 | S1170-E1202 CarbonylContact C-O 3.58Å; S1170-E1202 WeakPolarHBondContact CB-O 3.36Å; S1170-E1202 PolarHBondContact OG-O 3.06Å; S1170-E1202 VanDerWaalsContact OG-O 3.12Å; G1171-E1202 PolarHBondContact N-O 3.21Å; G1171-E1202 VanDerWaalsContact N-O 3.11Å; I1196-E1202 HydrophobicContact CD1-CB 3.77Å; I1196-E1202 HydrophobicContact CD1-CG 3.57Å; I1196-E1202 WeakPolarHBondContact CD1-OE1 3.34Å; I1196-E1202 HydrophobicContact CG1-CG 4.29Å |
| 1203 | N | 54.7 | Low | 55.9 | Low | 136 Ų | 136 | 69.4 Ų | 69.4 | 73% | 0.727 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 4.5 | 179.1 | -65.5 | -23 | 0 | 0 | 0 | 113.9 | I1201 | I1201-N1203 PolarHBondContact O-N 3.12Š|
| 1204 | R | 62.8 | Low | 53.4 | Low | 58 Ų | 58 | 68.4 Ų | 68.4 | 22% | 0.219 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -86.4 | 129.2 | 174.6 | -79.2 | 177.9 | -172 | -150.4 | -1.4 | 110 | S1170 Q1200 I1201 L1212 E1216 | S1170-R1204 WeakPolarHBondContact CA-O 3.35Å; S1170-R1204 VanDerWaalsContact CB-O 3.26Å; S1170-R1204 WeakPolarHBondContact CB-O 3.18Å; Q1200-R1204 WeakPolarHBondContact O-CD 3.24Å; Q1200-R1204 VanDerWaalsContact O-CG 3.22Å; Q1200-R1204 WeakPolarHBondContact O-CG 3.25Å; Q1200-R1204 PolarHBondContact O-NE 3.18Å; Q1200-R1204 VanDerWaalsContact O-NE 3.13Å; I1201-R1204 PolarHBondContact O-N 3Å; I1201-R1204 VanDerWaalsContact O-N 3.1Å; R1204-L1212 VanDerWaalsContact NH1-CD1 3.25Å; R1204-E1216 IonicContact CZ-OE2 3.69Å; R1204-E1216 IonicContact NH1-OE1 3.76Å; R1204-E1216 IonicContact NH1-OE2 3.57Å; R1204-E1216 PolarHBondContact NH1-OE2 2.84Å; R1204-E1216 IonicContact NH2-OE1 2.97Å; R1204-E1216 IonicContact NH2-OE2 2.64Å |
| 1205 | P | 66.1 | Low | 51.6 | Low | 25 Ų | 25 | 73.1 Ų | 73.1 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 151.9 | 174.4 | 30.3 | -34.9 | 0 | 0 | 0 | 111 | S1165 D1166 T1207 N1208 | S1165-P1205 WeakPolarHBondContact O-CB 3.46Å; D1166-P1205 VanDerWaalsContact O-CB 3.3Å; D1166-P1205 WeakPolarHBondContact O-CB 3.23Å; P1205-T1207 VanDerWaalsContact C-N 3.28Å; P1205-T1207 PolarHBondContact O-N 3.06Å; P1205-N1208 HydrophobicContact CG-CB 4.18Å; P1205-N1208 WeakPolarHBondContact CG-ND2 3.34Å; P1205-N1208 PolarHBondContact O-N 2.66Å |
| 1206 | W | 70.7 | Confident | 50.1 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.5 | -36.5 | -172.1 | -84.3 | 56.8 | 0 | 0 | 0 | 113.3 | L728 L730 Y789 L793 F863 S1165 L1169 G1171 L1176 N1208 C1209 M1210 | L728-W1206 HydrophobicContact CD2-CE3 4.26Å; L728-W1206 HydrophobicContact CD2-CZ3 4.44Å; L730-W1206 HydrophobicContact CB-CH2 4.41Å; Y789-W1206 AromaticContact CD1-CD2 3.84Å; Y789-W1206 HydrophobicContact CD1-CD2 3.84Å; Y789-W1206 AromaticContact CD1-CE2 3.94Å; Y789-W1206 AromaticContact CD1-CE3 3.66Å; Y789-W1206 HydrophobicContact CD1-CE3 3.66Å; Y789-W1206 AromaticContact CD1-CH2 3.8Å; Y789-W1206 HydrophobicContact CD1-CH2 3.8Å; Y789-W1206 AromaticContact CD1-CZ2 3.95Å; Y789-W1206 HydrophobicContact CD1-CZ2 3.95Å; Y789-W1206 AromaticContact CD1-CZ3 3.65Å; Y789-W1206 HydrophobicContact CD1-CZ3 3.65Å; Y789-W1206 AromaticContact CE1-CD2 3.47Å; Y789-W1206 HydrophobicContact CE1-CD2 3.47Å; Y789-W1206 VanDerWaalsContact CE1-CD2 3.47Å; Y789-W1206 AromaticContact CE1-CE2 3.71Å; Y789-W1206 AromaticContact CE1-CE3 3.7Å; Y789-W1206 HydrophobicContact CE1-CE3 3.7Å; Y789-W1206 AromaticContact CE1-CG 3.84Å; Y789-W1206 HydrophobicContact CE1-CG 3.84Å; Y789-W1206 HydrophobicContact CE1-CH2 4.4Å; Y789-W1206 HydrophobicContact CE1-CZ2 4.19Å; Y789-W1206 HydrophobicContact CE1-CZ3 4.17Å; L793-W1206 HydrophobicContact CD1-CH2 4.26Å; L793-W1206 HydrophobicContact CD2-CH2 4.16Å; L793-W1206 HydrophobicContact CD2-CZ3 4.25Å; L793-W1206 HydrophobicContact CG-CH2 4.34Å; L793-W1206 HydrophobicContact CG-CZ3 4.33Å; F863-W1206 HydrophobicContact CE1-CB 4.36Å; S1165-W1206 PolarHBondContact O-N 3.34Å; S1165-W1206 VanDerWaalsContact O-N 3.15Å; L1169-W1206 PolarHBondContact O-N 3.12Å; G1171-W1206 PolarHBondContact O-NE1 3.11Å; L1176-W1206 HydrophobicContact CD2-CH2 4.24Å; L1176-W1206 HydrophobicContact CD2-CZ2 4.4Å; W1206-N1208 VanDerWaalsContact C-N 3.3Å; W1206-N1208 PolarHBondContact O-N 2.88Å; W1206-C1209 WeakPolarHBondContact O-CB 3.46Å; W1206-C1209 PolarHBondContact O-N 3.4Å; W1206-C1209 VanDerWaalsContact O-N 3.13Å; W1206-M1210 HydrophobicContact CB-CE 4.19Å; W1206-M1210 HydrophobicContact CE3-CE 3.83Å; W1206-M1210 WeakPolarHBondContact O-CE 3.33Å; W1206-M1210 WeakPolarHBondContact O-CG 3.49Å; W1206-M1210 PolarHBondContact O-N 3.48Å |
| 1207 | T | 65.8 | Low | 48.9 | Very low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64 | -33.1 | 178.7 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | H862 S1165 D1166 P1205 C1209 M1210 R1211 | H862-T1207 WeakPolarHBondContact NE2-CG2 3.45Å; S1165-T1207 PolarHBondContact O-N 3.06Å; S1165-T1207 VanDerWaalsContact O-N 3.16Å; S1165-T1207 PolarHBondContact O-OG1 2.94Å; S1165-T1207 VanDerWaalsContact OG-CG2 3.3Å; S1165-T1207 WeakPolarHBondContact OG-CG2 3.43Å; D1166-T1207 VanDerWaalsContact OD1-CB 3.28Å; D1166-T1207 WeakPolarHBondContact OD1-CB 3.46Å; D1166-T1207 WeakPolarHBondContact OD1-CG2 3.37Å; D1166-T1207 PolarHBondContact OD1-OG1 3.16Å; P1205-T1207 VanDerWaalsContact C-N 3.28Å; P1205-T1207 PolarHBondContact O-N 3.06Å; T1207-C1209 VanDerWaalsContact C-N 3.3Å; T1207-C1209 PolarHBondContact O-N 3.28Å; T1207-M1210 WeakPolarHBondContact O-CB 3.03Å; T1207-M1210 PolarHBondContact O-N 3.07Å; T1207-R1211 WeakPolarHBondContact O-CG 3.14Å; T1207-R1211 PolarHBondContact O-N 2.88Å; T1207-R1211 VanDerWaalsContact O-N 3.13Å; T1207-R1211 PolarHBondContact OG1-NH1 2.85Å |
| 1208 | N | 64.1 | Low | 48.4 | Very low | 71 Ų | 71 | 75.7 Ų | 75.7 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.7 | -28.5 | 176.3 | -73.1 | -10.7 | 0 | 0 | 0 | 111.8 | P1205 W1206 M1210 R1211 L1212 | P1205-N1208 HydrophobicContact CG-CB 4.18Å; P1205-N1208 WeakPolarHBondContact CG-ND2 3.34Å; P1205-N1208 PolarHBondContact O-N 2.66Å; W1206-N1208 VanDerWaalsContact C-N 3.3Å; W1206-N1208 PolarHBondContact O-N 2.88Å; N1208-M1210 VanDerWaalsContact C-N 3.28Å; N1208-M1210 PolarHBondContact O-N 2.91Å; N1208-R1211 PolarHBondContact O-N 2.73Å; N1208-L1212 WeakPolarHBondContact O-CG 3.46Å |
| 1209 | C | 62.1 | Low | 47.9 | Very low | 16 Ų | 16 | 76.7 Ų | 76.7 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.1 | -23.9 | 168.6 | -61.6 | 0 | 0 | 0 | 0 | 112.9 | L728 W1206 T1207 | L728-C1209 HydrophobicContact CD2-CB 3.84Å; W1206-C1209 WeakPolarHBondContact O-CB 3.46Å; W1206-C1209 PolarHBondContact O-N 3.4Å; W1206-C1209 VanDerWaalsContact O-N 3.13Å; T1207-C1209 VanDerWaalsContact C-N 3.3Å; T1207-C1209 PolarHBondContact O-N 3.28Å |
| 1210 | M | 63.9 | Low | 46.9 | Very low | 1 Ų | 1 | 81.4 Ų | 81.4 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -82.4 | -24.2 | 174.9 | -42.2 | -44 | 179.1 | 0 | 0 | 113.3 | L728 Y792 F863 I868 W1206 T1207 N1208 | L728-M1210 HydrophobicContact CD2-CE 3.73Å; L728-M1210 HydrophobicContact CD2-SD 3.71Å; Y792-M1210 HydrophobicContact CD1-CE 3.71Å; Y792-M1210 HydrophobicContact CD1-SD 4.42Å; Y792-M1210 HydrophobicContact CE1-CE 3.19Å; Y792-M1210 HydrophobicContact CE1-SD 3.35Å; Y792-M1210 WeakPolarHBondContact CE1-SD 3.48Å; Y792-M1210 PolarHBondContact OH-SD 2.84Å; F863-M1210 HydrophobicContact CD1-CE 3.96Å; F863-M1210 HydrophobicContact CE1-CE 3.94Å; I868-M1210 WeakPolarHBondContact CD1-O 3.44Å; I868-M1210 WeakPolarHBondContact CG1-O 3.45Å; W1206-M1210 HydrophobicContact CB-CE 4.19Å; W1206-M1210 HydrophobicContact CE3-CE 3.83Å; W1206-M1210 WeakPolarHBondContact O-CE 3.33Å; W1206-M1210 WeakPolarHBondContact O-CG 3.49Å; W1206-M1210 PolarHBondContact O-N 3.48Å; T1207-M1210 WeakPolarHBondContact O-CB 3.03Å; T1207-M1210 PolarHBondContact O-N 3.07Å; N1208-M1210 VanDerWaalsContact C-N 3.28Å; N1208-M1210 PolarHBondContact O-N 2.91Å |
| 1211 | R | 57.1 | Low | 45.7 | Very low | 96 Ų | 96 | 82.9 Ų | 82.9 | 36% | 0.362 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -96.9 | 2.8 | -171.5 | -72.2 | 174.1 | 178.6 | 143.7 | -1.4 | 114.4 | N866 I868 D1166 T1207 N1208 | N866-R1211 PolarHBondContact OD1-NE 3.46Å; N866-R1211 PolarHBondContact OD1-NH2 3.13Å; I868-R1211 VanDerWaalsContact CD1-C 3.41Å; D1166-R1211 IonicContact OD1-CZ 3.26Å; D1166-R1211 IonicContact OD1-NH1 3.41Å; D1166-R1211 PolarHBondContact OD1-NH1 3Å; D1166-R1211 VanDerWaalsContact OD1-NH1 3.07Å; D1166-R1211 IonicContact OD1-NH2 2.73Å; T1207-R1211 WeakPolarHBondContact O-CG 3.14Å; T1207-R1211 PolarHBondContact O-N 2.88Å; T1207-R1211 VanDerWaalsContact O-N 3.13Å; T1207-R1211 PolarHBondContact OG1-NH1 2.85Å; N1208-R1211 PolarHBondContact O-N 2.73Å |
| 1212 | L | 39.4 | Very low | 44.3 | Very low | 52 Ų | 52 | 92.1 Ų | 92.1 | 27% | 0.272 | 45% | 0.446 | S | S | . | . | trans | -100.5 | 141.4 | 178.6 | -72.8 | 170.5 | 0 | 0 | 0 | 112.4 | I868 R1204 N1208 E1216 | I868-L1212 WeakPolarHBondContact CD1-O 3.44Å; R1204-L1212 VanDerWaalsContact NH1-CD1 3.25Å; N1208-L1212 WeakPolarHBondContact O-CG 3.46Å; L1212-E1216 HydrophobicContact CD2-CG 4.26Å | ||
| 1213 | S | 33.9 | Very low | 43.1 | Very low | 64 Ų | 64 | 93.9 Ų | 93.9 | 45% | 0.448 | 46% | 0.459 | S | S | . | . | trans | -121.3 | 175.7 | 173.6 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | H1215 | S1213-H1215 PolarHBondContact O-N 3.31Š| ||
| 1214 | M | 31 | Very low | 41.6 | Very low | 111 Ų | 111 | 96.4 Ų | 96.4 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 31.4 | -169.7 | -59.2 | -159.8 | 176.1 | 0 | 0 | 117.5 | S723 D726 | S723-M1214 WeakPolarHBondContact OG-CE 3.4Å; D726-M1214 WeakPolarHBondContact OD2-CE 3.36Å; D726-M1214 VanDerWaalsContact OD2-CG 3.29Å; D726-M1214 WeakPolarHBondContact OD2-CG 3.21Å |
| 1215 | H | 30.2 | Very low | 39.6 | Very low | 147 Ų | 147 | 103.5 Ų | 103.5 | 68% | 0.681 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -1.6 | -175.1 | -87.1 | -64.8 | 0 | 0 | 0 | 117 | S1213 N1217 | S1213-H1215 PolarHBondContact O-N 3.31Å; H1215-N1217 PolarHBondContact O-N 2.84Å |
| 1216 | E | 25.7 | Very low | 37.5 | Very low | 89 Ų | 89 | 106.5 Ų | 106.5 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -68.2 | -9.9 | 169.3 | -67.9 | -153.7 | 112.7 | 0 | 0 | 113.1 | R1204 L1212 E1218 | R1204-E1216 IonicContact CZ-OE2 3.69Å; R1204-E1216 IonicContact NH1-OE1 3.76Å; R1204-E1216 IonicContact NH1-OE2 3.57Å; R1204-E1216 PolarHBondContact NH1-OE2 2.84Å; R1204-E1216 IonicContact NH2-OE1 2.97Å; R1204-E1216 IonicContact NH2-OE2 2.64Å; L1212-E1216 HydrophobicContact CD2-CG 4.26Å; E1216-E1218 VanDerWaalsContact C-N 3.27Å; E1216-E1218 PolarHBondContact O-N 3.29Å |
| 1217 | N | 24.4 | Very low | 35.1 | Very low | 90 Ų | 90 | 113.9 Ų | 113.9 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -79.9 | 15.9 | -177.8 | -98.3 | -6.2 | 0 | 0 | 0 | 115.8 | H1215 | H1215-N1217 PolarHBondContact O-N 2.84Š|
| 1218 | E | 26.8 | Very low | 33.1 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 75% | 0.752 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -110.8 | 8.4 | 171.8 | -71.2 | -159.8 | 148.6 | 0 | 0 | 114.8 | E1216 | E1216-E1218 VanDerWaalsContact C-N 3.27Å; E1216-E1218 PolarHBondContact O-N 3.29Å |
| 1219 | H | 29.2 | Very low | 31 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.755 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -113.2 | -4.2 | 177.8 | -85.7 | 21 | 0 | 0 | 0 | 116.4 | ||
| 1220 | N | 25.3 | Very low | 29.4 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -105.4 | 16.7 | 175.5 | -82.3 | -42.4 | 0 | 0 | 0 | 114.8 | ||
| 1221 | N | 24.6 | Very low | 27.4 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -125.1 | 49.5 | 177.8 | -93.6 | -29.6 | 0 | 0 | 0 | 113 | ||||
| 1222 | R | 22.6 | Very low | 25.8 | Very low | 235 Ų | 235 | 139.8 Ų | 139.8 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -131.1 | 48.7 | 167 | -86.4 | -171 | 170.5 | 175.1 | -3 | 112.3 | ||
| 1223 | N | 24 | Very low | 25.1 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | trans | -160.5 | 69.7 | 163.4 | -105 | -21.5 | 0 | 0 | 0 | 113.2 | ||||
| 1224 | Q | 25 | Very low | 24.6 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | -163.6 | 79.5 | 151.3 | -116.1 | 155.4 | 85.2 | 0 | 0 | 112.7 | ||||
| 1225 | H | 20.7 | Very low | 24.2 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 95% | 0.954 | 74% | 0.738 | S | S | * | * | trans | -77.6 | 110.8 | 149.4 | -100.5 | -94.3 | 0 | 0 | 0 | 108.2 | ||||
| 1226 | S | 21.3 | Very low | 23.8 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | -171.7 | 122 | 147.1 | 49 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1227 | I | 20.5 | Very low | 23.6 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | trans | 47.6 | 108.4 | 136.2 | -52 | 164.6 | 0 | 0 | 0 | 117.3 | ||||
| 1228 | L | 23.2 | Very low | 23.4 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | -150.4 | 117.2 | 117.4 | -112.1 | 172.6 | 0 | 0 | 0 | 110.8 | |||||
| 1229 | K | 19.7 | Very low | 23 | Very low | 199 Ų | 199 | 149.9 Ų | 149.9 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | trans | -83.6 | 121.2 | 169 | -67.5 | 177.2 | 179.9 | 175.8 | 0 | 108.3 | ||||
| 1230 | V | 28.3 | Very low | 22.7 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -132.5 | 133.4 | 162 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1231 | S | 23.5 | Very low | 22.5 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -76 | 145.3 | -169.4 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1232 | Q | 21.8 | Very low | 22.3 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | trans | 28.6 | 109.3 | 146.4 | -66.9 | 176 | -14.1 | 0 | 0 | 118.6 | ||||
| 1233 | N | 26.5 | Very low | 22.2 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | trans | -140.4 | 107.9 | 133.1 | -105.5 | -51 | 0 | 0 | 0 | 109 | ||||
| 1234 | Q | 22.3 | Very low | 22 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 34% | 0.341 | 73% | 0.731 | S | S | . | * | trans | -125.1 | 109.7 | -173.1 | -71.5 | 171.8 | -28.5 | 0 | 0 | 109.6 | F1685 | Q1234-F1685 HydrophobicContact CB-CD2 4.31Å; Q1234-F1685 HydrophobicContact CB-CE2 3.69Å; Q1234-F1685 HydrophobicContact CB-CZ 4.16Å | ||
| 1235 | S | 22.1 | Very low | 21.7 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 169.5 | 80 | 162.7 | 34.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1236 | H | 22.8 | Very low | 21.8 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 49% | 0.491 | 72% | 0.716 | S | S | . | * | 47 | 98.2 | 52.7 | -97.8 | -10.8 | 0 | 0 | 0 | 110.2 | E1682 S1683 | H1236-E1682 VanDerWaalsContact CA-OE1 3.29Å; H1236-E1682 WeakPolarHBondContact CA-OE1 3.37Å; H1236-E1682 HydrophobicContact CB-CB 3.79Å; H1236-E1682 HydrophobicContact CB-CG 4.28Å; H1236-E1682 IonicContact CE1-OE1 3.49Å; H1236-E1682 IonicContact CG-OE1 2.66Å; H1236-E1682 WeakPolarHBondContact ND1-CG 3.44Å; H1236-E1682 IonicContact ND1-OE1 2.66Å; H1236-E1682 PolarHBondContact ND1-OE1 2.78Å; H1236-S1683 PolarHBondContact CD2-N 3.41Å; H1236-S1683 VanDerWaalsContact CD2-N 3.33Å | |||
| 1237 | R | 20.8 | Very low | 21.8 | Very low | 211 Ų | 211 | 141.4 Ų | 141.4 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | trans | -142.1 | 117.9 | -165.7 | -149.1 | 179.7 | -165.9 | -169.2 | 3 | 113.4 | R1681 E1682 | R1237-R1681 PolarHBondContact O-NH1 2.89Å; R1237-E1682 VanDerWaalsContact N-CD 3.34Å; R1237-E1682 PolarHBondContact N-OE1 3.08Å; R1237-E1682 PolarHBondContact N-OE2 3.05Å | ||
| 1238 | N | 19.8 | Very low | 21.9 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 51% | 0.508 | 72% | 0.719 | S | S | . | * | trans | -51.8 | 153.7 | -178.1 | -112.6 | -58.8 | 0 | 0 | 0 | 116.5 | ||||
| 1239 | R | 19.3 | Very low | 21.7 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 64% | 0.638 | 72% | 0.718 | S | S | * | * | 11 | 126.6 | 129.2 | -169.6 | -174.2 | -163.1 | 171.1 | 3.4 | 116.9 | |||||
| 1240 | N | 22 | Very low | 21.8 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | -177.8 | 136.7 | 128.8 | -94 | -7.1 | 0 | 0 | 0 | 114.7 | |||||
| 1241 | N | 20.9 | Very low | 21.5 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | 37 | 152 | 135 | -54.2 | 1.8 | 0 | 0 | 0 | 123.6 | ||||
| 1242 | N | 20.6 | Very low | 21.3 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | trans | -30.8 | 133.1 | 139.1 | -56.3 | -7.4 | 0 | 0 | 0 | 112.7 | ||||
| 1243 | N | 20.4 | Very low | 21.3 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | -176.9 | 152.9 | 112 | -95.3 | -11.7 | 0 | 0 | 0 | 112.9 | |||||
| 1244 | N | 19.5 | Very low | 21.1 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -56.1 | 134.6 | 159.1 | -59.1 | -45.7 | 0 | 0 | 0 | 110.4 | ||||
| 1245 | T | 20.5 | Very low | 20.9 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -174.4 | 133.7 | 133.1 | 14.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1246 | Q | 21.2 | Very low | 20.8 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | 45.7 | 112 | 145.1 | -61.1 | 168.4 | 13.3 | 0 | 0 | 118.9 | ||||
| 1247 | Q | 21.7 | Very low | 20.7 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | 72.7 | 144.7 | 64 | -74.8 | -159.3 | -5.9 | 0 | 0 | 117.1 | |||||
| 1248 | K | 23.4 | Very low | 20.7 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 76.8 | 89.7 | 149.7 | -77.4 | 159.2 | 176.4 | 148.9 | 0 | 119.6 | ||||
| 1249 | S | 19.5 | Very low | 21.4 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | S | Bend | -122 | 103 | 91.1 | 57.3 | 0 | 0 | 0 | 0 | 107.6 | |||
| 1250 | K | 20.6 | Very low | 21.5 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | 82.2 | 140.7 | 95.1 | -87.7 | -162.9 | 174.1 | -169.5 | 0 | 112.2 | |||||
| 1251 | Q | 21.9 | Very low | 21.4 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | 68.3 | 133.5 | -170.3 | -51.9 | -164.7 | -93.5 | 0 | 0 | 116.2 | ||||
| 1252 | D | 20.3 | Very low | 21.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | cis | -157.3 | 147.3 | -26.6 | -107.5 | -20.4 | 0 | 0 | 0 | 110.3 | ||||
| 1253 | T | 21 | Very low | 21.5 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | 63.1 | 120.9 | 142.4 | -54.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1254 | L | 21.4 | Very low | 21.6 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 71.7 | 158.9 | 164 | -60.7 | 161.4 | 0 | 0 | 0 | 119.6 | ||||
| 1255 | D | 19.2 | Very low | 21.7 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | -164.1 | 159.3 | -59.7 | -125 | -64 | 0 | 0 | 0 | 112.6 | |||||
| 1256 | T | 20.5 | Very low | 21.6 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | trans | 8.8 | 138.8 | 155.9 | 32.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 1257 | N | 19.8 | Very low | 21.6 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 80.3 | 108 | 134.5 | -64.2 | -14.1 | 0 | 0 | 0 | 123 | ||||
| 1258 | H | 21.6 | Very low | 21.5 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | 60.3 | 154.7 | 124.4 | -103.6 | -4.7 | 0 | 0 | 0 | 121.9 | |||||
| 1259 | P | 34.9 | Very low | 21.3 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -93.2 | 156.8 | -165.9 | 37.7 | -36.6 | 0 | 0 | 0 | 113.9 | ||||
| 1260 | Q | 19.6 | Very low | 21.4 | Very low | 168 Ų | 168 | 143.4 Ų | 143.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -155.3 | 142.9 | 154.1 | -111.4 | 176.7 | 21.4 | 0 | 0 | 110.6 | ||||
| 1261 | N | 20.1 | Very low | 21.4 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | 60.6 | 130.6 | 149.9 | -53.7 | -19.4 | 0 | 0 | 0 | 117.8 | ||||
| 1262 | N | 24.6 | Very low | 21.3 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | cis | -148.1 | 161 | 35.7 | -96.3 | -50.4 | 0 | 0 | 0 | 114.3 | ||||
| 1263 | H | 20.4 | Very low | 21.4 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -80.3 | 174.9 | 162.3 | -84 | -107.1 | 0 | 0 | 0 | 112.1 | ||||
| 1264 | Q | 21.9 | Very low | 21.3 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | 98.2 | 155.8 | 153.2 | -52.1 | -169.5 | 2 | 0 | 0 | 119 | ||||
| 1265 | S | 20.6 | Very low | 21.4 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 84.7 | 82.1 | 156.6 | -162.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1266 | L | 19.6 | Very low | 21.5 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | 65.4 | 106.9 | 121.4 | -68.5 | 155.4 | 0 | 0 | 0 | 120.6 | |||||
| 1267 | T | 20.5 | Very low | 21.6 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | 30 | 115.3 | 120.7 | 60.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1268 | N | 20.3 | Very low | 21.6 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | -176.5 | 161.3 | 87.8 | -101.4 | -28.9 | 0 | 0 | 0 | 113.6 | |||||
| 1269 | S | 20 | Very low | 21.5 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -81.7 | 141.6 | 174.1 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1270 | N | 20.5 | Very low | 20.7 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 94% | 0.936 | 74% | 0.737 | S | S | * | * | trans | -177.5 | 158.7 | 147.3 | -100.6 | -32.4 | 0 | 0 | 0 | 111.6 | ||||
| 1271 | G | 21.2 | Very low | 20.6 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | 108.7 | 69.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1272 | S | 19.3 | Very low | 20.5 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 10.7 | 125.9 | 139.8 | -170.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1273 | L | 22.1 | Very low | 20.2 | Very low | 163 Ų | 163 | 124 Ų | 124 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | trans | -163.2 | 117.5 | 133 | -91.2 | 135 | 0 | 0 | 0 | 106.5 | ||||
| 1274 | N | 20.3 | Very low | 20.1 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | 70.1 | 129.6 | 71.7 | -87.4 | -0.7 | 0 | 0 | 0 | 116.4 | |||||
| 1275 | S | 21.8 | Very low | 20.1 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 53.6 | 80.8 | 154.5 | 60.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1276 | T | 22.9 | Very low | 20.1 | Very low | 123 Ų | 123 | 117.9 Ų | 117.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -153.2 | 118.3 | 146.6 | 35.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1277 | N | 22.6 | Very low | 20.2 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | 86.5 | 129.3 | 75.8 | -70.5 | 12.6 | 0 | 0 | 0 | 113.3 | |||||
| 1278 | T | 19 | Very low | 20.4 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | trans | 37.3 | 150.3 | 140.4 | 61.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1279 | T | 19.2 | Very low | 20.5 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | trans | 78.7 | 106.8 | 161.8 | 2.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1280 | S | 17.2 | Very low | 20.6 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 50% | 0.503 | 73% | 0.733 | S | S | . | * | trans | -39.7 | 175.3 | 134.9 | 46.4 | 0 | 0 | 0 | 0 | 115 | Q809 | Q809-S1280 PolarHBondContact NE2-OG 3.37Å; Q809-S1280 VanDerWaalsContact NE2-OG 3.09Å | ||
| 1281 | T | 18.1 | Very low | 20.7 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 69% | 0.693 | 73% | 0.732 | S | S | * | * | trans | 87.8 | 117.4 | 165.3 | 67.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1282 | T | 17.5 | Very low | 21 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | 81.2 | 129.7 | 135.7 | 47.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1283 | T | 18.3 | Very low | 21.1 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | trans | 60.5 | 103.7 | 143.3 | 54.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1284 | T | 19.2 | Very low | 21.1 | Very low | 131 Ų | 131 | 114.2 Ų | 114.2 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | -151.1 | 146.1 | 128.6 | 20.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 1285 | T | 21 | Very low | 20.9 | Very low | 138 Ų | 138 | 116.1 Ų | 116.1 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | trans | 38.8 | 134.9 | 151.6 | 58.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1286 | G | 20.8 | Very low | 20.9 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | 139.5 | 120.9 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1287 | S | 23.4 | Very low | 20.7 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -163.8 | 151.6 | 179.2 | -82.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1288 | V | 23.5 | Very low | 20.6 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | cis | 72.1 | 119.7 | 46.2 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1289 | D | 21.7 | Very low | 20.5 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | cis | -155.3 | -173.8 | -4.3 | -122.2 | -6.9 | 0 | 0 | 0 | 114.6 | ||||
| 1290 | S | 23 | Very low | 20.7 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -83.6 | 178.8 | -169.6 | -63.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1291 | S | 22.1 | Very low | 20.8 | Very low | 133 Ų | 133 | 127 Ų | 127 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | trans | 84.1 | 158.8 | 165.8 | 84.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1292 | G | 27 | Very low | 20.9 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 152.9 | 113.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1293 | S | 22.6 | Very low | 21 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | -99.4 | 154.2 | -179.8 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | F1295 | S1293-F1295 PolarHBondContact O-N 3.31Å; S1293-F1295 VanDerWaalsContact O-N 3.14Å | ||
| 1294 | H | 20.9 | Very low | 21 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.667 | 74% | 0.743 | S | S | * | * | trans | 8.8 | 89.2 | 137 | -169.3 | -61.9 | 0 | 0 | 0 | 117.6 | ||||
| 1295 | F | 18.1 | Very low | 21.1 | Very low | 174 Ų | 174 | 134 Ų | 134 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | -178.3 | 147.5 | 128.3 | -103 | -63.9 | 0 | 0 | 0 | 114.8 | S1293 | S1293-F1295 PolarHBondContact O-N 3.31Å; S1293-F1295 VanDerWaalsContact O-N 3.14Å | |||
| 1296 | K | 21.3 | Very low | 20.9 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | 58.6 | 116.9 | 153.7 | -82.1 | -175.9 | 170.8 | -171.7 | 0 | 122.1 | ||||
| 1297 | E | 18.4 | Very low | 21.1 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | 43.8 | 133.3 | 112.6 | -75.7 | -177.2 | 107 | 0 | 0 | 122.1 | |||||
| 1298 | F | 19.3 | Very low | 20.9 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | 52 | 97.6 | 154.1 | -70.6 | -70.2 | 0 | 0 | 0 | 118.9 | ||||
| 1299 | S | 18.9 | Very low | 20.9 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 51% | 0.51 | 74% | 0.74 | S | S | . | * | 160.7 | 124 | 106.7 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | Q1301 | S1299-Q1301 PolarHBondContact O-N 3.18Å; S1299-Q1301 VanDerWaalsContact O-N 3.09Å; S1299-Q1301 PolarHBondContact OG-N 3.27Å; S1299-Q1301 VanDerWaalsContact OG-N 3.11Å | |||
| 1300 | T | 22.6 | Very low | 20.9 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | 36.6 | 27.7 | 67.9 | 59.8 | 0 | 0 | 0 | 0 | 115.4 | T1302 | T1300-T1302 VanDerWaalsContact C-N 3.32Å; T1300-T1302 PolarHBondContact O-N 3.19Å | |||
| 1301 | Q | 20.2 | Very low | 21 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | -66.8 | 87.8 | 176.8 | -75.6 | -162.2 | 6.5 | 0 | 0 | 111.5 | S1299 V1303 | S1299-Q1301 PolarHBondContact O-N 3.18Å; S1299-Q1301 VanDerWaalsContact O-N 3.09Å; S1299-Q1301 PolarHBondContact OG-N 3.27Å; S1299-Q1301 VanDerWaalsContact OG-N 3.11Å; Q1301-V1303 HydrophobicContact CB-CB 4.48Å; Q1301-V1303 HydrophobicContact CB-CG2 3.89Å; Q1301-V1303 HydrophobicContact CG-CG2 4.06Å; Q1301-V1303 PolarHBondContact O-N 3.36Å | ||
| 1302 | T | 19.9 | Very low | 20.9 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -64.7 | 84.8 | 140 | 38.9 | 0 | 0 | 0 | 0 | 108.8 | T1300 | T1300-T1302 VanDerWaalsContact C-N 3.32Å; T1300-T1302 PolarHBondContact O-N 3.19Å | ||
| 1303 | V | 19.6 | Very low | 20.8 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | trans | -109.2 | 119.7 | 166.9 | 173 | 0 | 0 | 0 | 0 | 109.2 | Q1301 | Q1301-V1303 HydrophobicContact CB-CB 4.48Å; Q1301-V1303 HydrophobicContact CB-CG2 3.89Å; Q1301-V1303 HydrophobicContact CG-CG2 4.06Å; Q1301-V1303 PolarHBondContact O-N 3.36Å | ||
| 1304 | R | 18.5 | Very low | 20.7 | Very low | 185 Ų | 185 | 141 Ų | 141 | 70% | 0.698 | 73% | 0.725 | S | S | * | * | trans | 21 | 100.3 | 159.8 | -66.2 | 170 | 172.5 | 170.9 | 2.1 | 117.4 | Q1306 | R1304-Q1306 HydrophobicContact CB-CB 4.24Å; R1304-Q1306 HydrophobicContact CB-CG 4.31Å; R1304-Q1306 HydrophobicContact CG-CG 4.21Å; R1304-Q1306 PolarHBondContact O-N 2.87Å | ||
| 1305 | Y | 19.4 | Very low | 20.8 | Very low | 233 Ų | 233 | 141.6 Ų | 141.6 | 91% | 0.914 | 73% | 0.731 | S | S | * | * | -63.8 | 111.4 | 120 | -122.5 | -97 | 0 | 0 | 0 | 106.5 | |||||
| 1306 | Q | 18.8 | Very low | 20.9 | Very low | 111 Ų | 111 | 141 Ų | 141 | 52% | 0.519 | 73% | 0.73 | S | S | . | * | trans | -112.6 | 115.9 | 164 | -114.7 | -177.4 | -28.2 | 0 | 0 | 106.3 | R1304 N1308 | R1304-Q1306 HydrophobicContact CB-CB 4.24Å; R1304-Q1306 HydrophobicContact CB-CG 4.31Å; R1304-Q1306 HydrophobicContact CG-CG 4.21Å; R1304-Q1306 PolarHBondContact O-N 2.87Å; Q1306-N1308 PolarHBondContact O-N 3.44Å | ||
| 1307 | P | 23.2 | Very low | 21 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -73.1 | 101.8 | -177.7 | 29.1 | -32.8 | 0 | 0 | 0 | 109.2 | ||||
| 1308 | N | 19.6 | Very low | 21.1 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -138.3 | 73.6 | -172.2 | -114.9 | -2.9 | 0 | 0 | 0 | 112.4 | Q1306 | Q1306-N1308 PolarHBondContact O-N 3.44Š| ||
| 1309 | K | 24.3 | Very low | 21.3 | Very low | 204 Ų | 204 | 137.6 Ų | 137.6 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | 174.9 | 131.8 | 114.3 | -92.6 | 170.3 | -178.8 | -175.9 | 0 | 110 | |||||
| 1310 | S | 21.9 | Very low | 21.5 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -75.7 | 139.8 | 176.1 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | N1312 | S1310-N1312 VanDerWaalsContact CB-OD1 3.29Å; S1310-N1312 WeakPolarHBondContact CB-OD1 3.2Å; S1310-N1312 PolarHBondContact OG-OD1 2.8Å | ||
| 1311 | L | 24.3 | Very low | 21.3 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 93% | 0.932 | 74% | 0.742 | S | S | * | * | trans | -85.8 | 103.7 | 152.8 | -166.5 | 71.1 | 0 | 0 | 0 | 106.2 | G1313 | L1311-G1313 PolarHBondContact O-N 3.29Š| ||
| 1312 | N | 20.9 | Very low | 21.4 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | -69.6 | 126.6 | -176.6 | -69.7 | -9.6 | 0 | 0 | 0 | 110 | S1310 | S1310-N1312 VanDerWaalsContact CB-OD1 3.29Å; S1310-N1312 WeakPolarHBondContact CB-OD1 3.2Å; S1310-N1312 PolarHBondContact OG-OD1 2.8Å | ||
| 1313 | G | 23.2 | Very low | 21.6 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -175.5 | 54.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1311 I1315 | L1311-G1313 PolarHBondContact O-N 3.29Å; G1313-I1315 PolarHBondContact O-N 3.06Å; G1313-I1315 VanDerWaalsContact O-N 3.11Å | ||
| 1314 | T | 22 | Very low | 21.7 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | -74.9 | 99.1 | -173.6 | -58 | 0 | 0 | 0 | 0 | 112.5 | Q1316 | T1314-Q1316 HydrophobicContact CG2-CB 4.1Å; T1314-Q1316 HydrophobicContact CG2-CG 3.97Å | ||
| 1315 | I | 22.4 | Very low | 21.9 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | trans | -109.3 | 77.3 | 146.6 | -58.5 | -174.2 | 0 | 0 | 0 | 108.6 | G1313 K1317 | G1313-I1315 PolarHBondContact O-N 3.06Å; G1313-I1315 VanDerWaalsContact O-N 3.11Å; I1315-K1317 PolarHBondContact O-N 3.38Å | ||
| 1316 | Q | 20.4 | Very low | 22 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -75.8 | 104.4 | 156.3 | -77.2 | 178.8 | 1 | 0 | 0 | 108.7 | T1314 | T1314-Q1316 HydrophobicContact CG2-CB 4.1Å; T1314-Q1316 HydrophobicContact CG2-CG 3.97Å | ||
| 1317 | K | 22.7 | Very low | 22.2 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | 175.7 | 139.7 | 118.8 | -94.3 | 161.7 | -177.4 | -177.7 | 0 | 112.8 | I1315 | I1315-K1317 PolarHBondContact O-N 3.38Š| |||
| 1318 | S | 21.7 | Very low | 22.3 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 49.2 | 83.1 | 163.6 | 59.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1319 | I | 23.2 | Very low | 22.8 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | S | Bend | -88.3 | 117.7 | 93.4 | -66.1 | 178.3 | 0 | 0 | 0 | 105.3 | S1321 | I1319-S1321 PolarHBondContact O-N 3.48Š| |
| 1320 | K | 21.7 | Very low | 22.9 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -69 | 124.7 | 176.8 | -72.6 | 178.8 | 179.2 | 175.5 | 0 | 106.8 | T1322 | K1320-T1322 PolarHBondContact O-N 3.06Š| ||
| 1321 | S | 20.3 | Very low | 23.1 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -59.2 | 109.9 | 171 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | I1319 T1323 | I1319-S1321 PolarHBondContact O-N 3.48Å; S1321-T1323 PolarHBondContact O-N 3.09Å; S1321-T1323 PolarHBondContact O-OG1 3.08Å | ||
| 1322 | T | 22 | Very low | 23.5 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | -59.2 | 112.2 | 179.2 | -46.5 | 0 | 0 | 0 | 0 | 108.4 | K1320 I1324 | K1320-T1322 PolarHBondContact O-N 3.06Å; T1322-I1324 VanDerWaalsContact C-N 3.33Å; T1322-I1324 PolarHBondContact O-N 2.89Å | ||
| 1323 | T | 22.6 | Very low | 23.9 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | trans | -78.7 | 88.3 | -175.6 | -59.5 | 0 | 0 | 0 | 0 | 107.8 | S1321 H1325 | S1321-T1323 PolarHBondContact O-N 3.09Å; S1321-T1323 PolarHBondContact O-OG1 3.08Å; T1323-H1325 VanDerWaalsContact C-N 3.31Å; T1323-H1325 HydrophobicContact CG2-CB 4.14Å; T1323-H1325 PolarHBondContact O-N 2.95Å | ||
| 1324 | I | 23 | Very low | 24.5 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 84% | 0.841 | 68% | 0.679 | S | S | * | * | trans | -67.4 | 93.4 | 176.8 | -58.1 | 177.9 | 0 | 0 | 0 | 108.2 | T1322 | T1322-I1324 VanDerWaalsContact C-N 3.33Å; T1322-I1324 PolarHBondContact O-N 2.89Å | ||
| 1325 | H | 21.3 | Very low | 25.6 | Very low | 123 Ų | 123 | 127 Ų | 127 | 57% | 0.569 | 65% | 0.654 | S | S | * | * | trans | -133.5 | 119.6 | -176.2 | -114.8 | 10.1 | 0 | 0 | 0 | 108.8 | T1323 | T1323-H1325 VanDerWaalsContact C-N 3.31Å; T1323-H1325 HydrophobicContact CG2-CB 4.14Å; T1323-H1325 PolarHBondContact O-N 2.95Å | ||
| 1326 | K | 23.1 | Very low | 26.8 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 68% | 0.683 | 64% | 0.643 | S | S | * | * | trans | 57.3 | 105 | 153.8 | -55.9 | 142.1 | -177.9 | 164.6 | 0 | 113.5 | ||||
| 1327 | D | 22.6 | Very low | 28.6 | Very low | 132 Ų | 132 | 117.7 Ų | 117.7 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | cis | -167.7 | -175.2 | 39.9 | -120.9 | -47.6 | 0 | 0 | 0 | 113.5 | ||||
| 1328 | I | 25.9 | Very low | 30.1 | Very low | 137 Ų | 137 | 112.7 Ų | 112.7 | 70% | 0.703 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 82.4 | 105.1 | 165.2 | -61 | 146.5 | 0 | 0 | 0 | 118.4 | T1330 | I1328-T1330 PolarHBondContact O-N 3.2Š|
| 1329 | R | 29.5 | Very low | 31.6 | Very low | 183 Ų | 183 | 116.8 Ų | 116.8 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | trans | 53.1 | 53.8 | 143.2 | -67.1 | -175.9 | 164.4 | 176.7 | -5.1 | 120.6 | ||||
| 1330 | T | 25.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 109.6 Ų | 109.6 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | trans | -78.1 | 125.2 | 154.8 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | I1328 I1332 | I1328-T1330 PolarHBondContact O-N 3.2Å; T1330-I1332 PolarHBondContact O-N 3.24Å | ||
| 1331 | H | 27.8 | Very low | 36.4 | Very low | 160 Ų | 160 | 105.5 Ų | 105.5 | 74% | 0.741 | 56% | 0.558 | S | S | * | * | trans | -78.2 | 77.8 | 167.2 | -101.7 | -99.3 | 0 | 0 | 0 | 110.4 | R895 S1333 | R895-H1331 PolarHBondContact NH1-O 3.16Å; H1331-S1333 PolarHBondContact O-N 2.86Å | ||
| 1332 | I | 32.3 | Very low | 39.5 | Very low | 82 Ų | 82 | 103.6 Ų | 103.6 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | trans | 35.5 | 78.1 | 153.6 | -45.9 | 171.1 | 0 | 0 | 0 | 113.5 | T1330 | T1330-I1332 PolarHBondContact O-N 3.24Š| ||
| 1333 | S | 29 | Very low | 42.4 | Very low | 50 Ų | 50 | 102.5 Ų | 102.5 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | trans | -62.3 | 151.7 | 134 | 29.4 | 0 | 0 | 0 | 0 | 106.9 | R895 H1331 P1335 | R895-S1333 PolarHBondContact NH2-OG 2.91Å; H1331-S1333 PolarHBondContact O-N 2.86Å; S1333-P1335 VanDerWaalsContact O-CD 3.27Å; S1333-P1335 WeakPolarHBondContact O-CD 3.15Å | ||
| 1334 | L | 35.6 | Very low | 45.2 | Very low | 63 Ų | 63 | 102 Ų | 102 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | trans | -57 | 114.7 | 159.6 | -75.9 | 151.5 | 0 | 0 | 0 | 105.9 | D1336 F1360 Q1439 | L1334-D1336 PolarHBondContact O-N 2.83Å; L1334-F1360 HydrophobicContact CD1-CD2 4.05Å; L1334-F1360 HydrophobicContact CD1-CE2 3.36Å; L1334-F1360 HydrophobicContact CD1-CZ 3.94Å; L1334-F1360 HydrophobicContact CD2-CD2 4.12Å; L1334-F1360 HydrophobicContact CD2-CE2 3.73Å; L1334-F1360 HydrophobicContact CG-CE2 4.2Å; L1334-Q1439 HydrophobicContact CD2-CB 4.26Å | ||
| 1335 | P | 46 | Very low | 48.3 | Very low | 30 Ų | 30 | 94.8 Ų | 94.8 | 20% | 0.195 | 47% | 0.474 | C | S | . | . | trans | -65.7 | 123.8 | -168.9 | 25.2 | -32.9 | 0 | 0 | 0 | 107.8 | S1333 L1337 N1413 Q1439 | S1333-P1335 VanDerWaalsContact O-CD 3.27Å; S1333-P1335 WeakPolarHBondContact O-CD 3.15Å; P1335-L1337 PolarHBondContact O-N 2.85Å; P1335-N1413 HydrophobicContact CB-CB 4.13Å; P1335-N1413 HydrophobicContact CG-CB 4.09Å; P1335-Q1439 PolarHBondContact O-OE1 3.2Å | ||
| 1336 | D | 46.6 | Very low | 51.4 | Low | 105 Ų | 105 | 89.1 Ų | 89.1 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | trans | -69.6 | 107.8 | -170.6 | -174.6 | 18.2 | 0 | 0 | 0 | 111.1 | L1334 S1338 | L1334-D1336 PolarHBondContact O-N 2.83Å; D1336-S1338 PolarHBondContact O-N 3.44Å; D1336-S1338 VanDerWaalsContact OD1-CB 3.29Å; D1336-S1338 WeakPolarHBondContact OD1-CB 3.25Å; D1336-S1338 PolarHBondContact OD1-N 2.92Å; D1336-S1338 PolarHBondContact OD1-OG 3.24Å; D1336-S1338 VanDerWaalsContact OD2-CB 3.28Å; D1336-S1338 WeakPolarHBondContact OD2-CB 3.43Å; D1336-S1338 PolarHBondContact OD2-OG 2.93Å | ||
| 1337 | L | 57.7 | Low | 54.3 | Low | 16 Ų | 16 | 88.5 Ų | 88.5 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -82.2 | 7.3 | 177.8 | -67.7 | 173 | 0 | 0 | 0 | 113.4 | P1335 H1339 A1340 I1410 G1412 Q1439 I1441 | P1335-L1337 PolarHBondContact O-N 2.85Å; L1337-H1339 PolarHBondContact O-N 2.89Å; L1337-A1340 HydrophobicContact CB-CB 4.42Å; L1337-A1340 HydrophobicContact CD2-CB 4.4Å; L1337-A1340 WeakPolarHBondContact O-CB 3.48Å; L1337-A1340 PolarHBondContact O-N 3.35Å; L1337-I1410 HydrophobicContact CD1-CG2 4.1Å; L1337-I1410 HydrophobicContact CD2-CG2 3.97Å; L1337-G1412 WeakPolarHBondContact CD1-O 3.46Å; L1337-G1412 WeakPolarHBondContact CD2-O 3.06Å; L1337-Q1439 HydrophobicContact CD1-CB 4.45Å; L1337-Q1439 HydrophobicContact CD1-CG 4.3Å; L1337-I1441 HydrophobicContact CB-CD1 3.89Å; L1337-I1441 HydrophobicContact CB-CG1 4.43Å; L1337-I1441 HydrophobicContact CD1-CD1 3.94Å; L1337-I1441 HydrophobicContact CD1-CG1 4Å; L1337-I1441 HydrophobicContact CD2-CD1 4.17Å; L1337-I1441 HydrophobicContact CG-CD1 4.23Å |
| 1338 | S | 54.2 | Low | 57.3 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -51.9 | -35.7 | 171.9 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | D1336 | D1336-S1338 PolarHBondContact O-N 3.44Å; D1336-S1338 VanDerWaalsContact OD1-CB 3.29Å; D1336-S1338 WeakPolarHBondContact OD1-CB 3.25Å; D1336-S1338 PolarHBondContact OD1-N 2.92Å; D1336-S1338 PolarHBondContact OD1-OG 3.24Å; D1336-S1338 VanDerWaalsContact OD2-CB 3.28Å; D1336-S1338 WeakPolarHBondContact OD2-CB 3.43Å; D1336-S1338 PolarHBondContact OD2-OG 2.93Å |
| 1339 | H | 53.5 | Low | 60.2 | Low | 178 Ų | 178 | 79.4 Ų | 79.4 | 82% | 0.824 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -88.2 | 6.2 | 178.9 | -64.3 | -61.9 | 0 | 0 | 0 | 114.4 | L1337 N1341 | L1337-H1339 PolarHBondContact O-N 2.89Å; H1339-N1341 PolarHBondContact O-N 2.86Å |
| 1340 | A | 66.9 | Low | 62.8 | Low | 18 Ų | 18 | 74.5 Ų | 74.5 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | trans | -69.3 | 121.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1337 F1342 L1345 I1441 | L1337-A1340 HydrophobicContact CB-CB 4.42Å; L1337-A1340 HydrophobicContact CD2-CB 4.4Å; L1337-A1340 WeakPolarHBondContact O-CB 3.48Å; L1337-A1340 PolarHBondContact O-N 3.35Å; A1340-F1342 HydrophobicContact CB-CE1 4.36Å; A1340-F1342 PolarHBondContact O-N 2.98Å; A1340-L1345 HydrophobicContact CB-CD1 4.27Å; A1340-I1441 HydrophobicContact CB-CD1 3.38Å | ||
| 1341 | N | 79.5 | Confident | 65.8 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | trans | -69.6 | 90.9 | -179.5 | -175.7 | -10.4 | 0 | 0 | 0 | 111.5 | H1339 E1343 Q1344 L1345 | H1339-N1341 PolarHBondContact O-N 2.86Å; N1341-E1343 PolarHBondContact O-N 3.36Å; N1341-E1343 PolarHBondContact OD1-N 2.87Å; N1341-E1343 VanDerWaalsContact OD1-N 3.12Å; N1341-Q1344 HydrophobicContact CB-CB 4.06Å; N1341-Q1344 PolarHBondContact O-N 3.43Å; N1341-Q1344 PolarHBondContact OD1-N 3.42Å; N1341-Q1344 VanDerWaalsContact OD1-N 3.08Å; N1341-L1345 WeakPolarHBondContact O-CG 3.11Å; N1341-L1345 PolarHBondContact O-N 3.44Å | ||
| 1342 | F | 86 | Confident | 68.6 | Low | 71 Ų | 71 | 63.6 Ų | 63.6 | 31% | 0.311 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -29.1 | 179.3 | -59.2 | -49.2 | 0 | 0 | 0 | 113.2 | A1340 A1346 V1353 I1356 I1441 | A1340-F1342 HydrophobicContact CB-CE1 4.36Å; A1340-F1342 PolarHBondContact O-N 2.98Å; F1342-A1346 WeakPolarHBondContact O-CB 3.31Å; F1342-A1346 PolarHBondContact O-N 2.94Å; F1342-V1353 HydrophobicContact CB-CG1 4.05Å; F1342-I1356 HydrophobicContact CD1-CG2 3.64Å; F1342-I1356 HydrophobicContact CE1-CG2 4.17Å; F1342-I1356 HydrophobicContact CG-CG2 4.35Å; F1342-I1356 WeakPolarHBondContact O-CD1 3.32Å; F1342-I1441 HydrophobicContact CD1-CG2 4.39Å; F1342-I1441 HydrophobicContact CE1-CD1 3.8Å; F1342-I1441 HydrophobicContact CE1-CG1 4.11Å; F1342-I1441 HydrophobicContact CE1-CG2 4.2Å |
| 1343 | E | 81.4 | Confident | 71.1 | Confident | 103 Ų | 103 | 63 Ų | 63 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73 | -38.7 | 178.2 | -158.5 | -164.8 | 135.9 | 0 | 0 | 111.8 | N1341 K1347 V1353 | N1341-E1343 PolarHBondContact O-N 3.36Å; N1341-E1343 PolarHBondContact OD1-N 2.87Å; N1341-E1343 VanDerWaalsContact OD1-N 3.12Å; E1343-K1347 WeakPolarHBondContact O-CG 3.29Å; E1343-K1347 PolarHBondContact O-N 2.8Å; E1343-K1347 VanDerWaalsContact O-N 3.14Å; E1343-K1347 WeakPolarHBondContact OE1-CE 3.14Å; E1343-K1347 IonicContact OE1-NZ 2.71Å; E1343-K1347 PolarHBondContact OE1-NZ 3.48Å; E1343-V1353 HydrophobicContact CG-CG2 4.1Å |
| 1344 | Q | 82.8 | Confident | 73.6 | Confident | 100 Ų | 100 | 68.7 Ų | 68.7 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.8 | -45.9 | 172.4 | 178.8 | 174.2 | -15.2 | 0 | 0 | 111.3 | N1341 A1346 K1347 E1348 | N1341-Q1344 HydrophobicContact CB-CB 4.06Å; N1341-Q1344 PolarHBondContact O-N 3.43Å; N1341-Q1344 PolarHBondContact OD1-N 3.42Å; N1341-Q1344 VanDerWaalsContact OD1-N 3.08Å; Q1344-A1346 VanDerWaalsContact C-N 3.27Å; Q1344-A1346 PolarHBondContact O-N 3.35Å; Q1344-K1347 PolarHBondContact O-N 2.86Å; Q1344-K1347 VanDerWaalsContact O-N 3.08Å; Q1344-E1348 HydrophobicContact CG-CG 4.34Å; Q1344-E1348 WeakPolarHBondContact CG-OE1 3.41Å; Q1344-E1348 PolarHBondContact NE2-OE1 2.76Å; Q1344-E1348 PolarHBondContact O-N 2.81Å |
| 1345 | L | 87.3 | Confident | 76.1 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 178.3 | -69.8 | 167.2 | 0 | 0 | 0 | 112.5 | A1340 N1341 A1349 I1356 L1409 I1410 I1417 I1441 | A1340-L1345 HydrophobicContact CB-CD1 4.27Å; N1341-L1345 WeakPolarHBondContact O-CG 3.11Å; N1341-L1345 PolarHBondContact O-N 3.44Å; L1345-A1349 VanDerWaalsContact O-CB 3.3Å; L1345-A1349 WeakPolarHBondContact O-CB 3.41Å; L1345-A1349 PolarHBondContact O-N 3.07Å; L1345-I1356 HydrophobicContact CB-CD1 4.21Å; L1345-L1409 HydrophobicContact CB-CD1 4.13Å; L1345-I1410 HydrophobicContact CD1-CD1 3.67Å; L1345-I1410 HydrophobicContact CD1-CG1 4.34Å; L1345-I1410 HydrophobicContact CD2-CD1 3.9Å; L1345-I1410 HydrophobicContact CD2-CG1 4.13Å; L1345-I1410 HydrophobicContact CG-CD1 4.43Å; L1345-I1417 HydrophobicContact CD2-CD1 4.1Å; L1345-I1441 HydrophobicContact CD1-CD1 4.34Å; L1345-I1441 HydrophobicContact CD1-CG2 4.5Å |
| 1346 | A | 86.5 | Confident | 78.3 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1342 Q1344 N1350 V1351 V1353 I1356 | F1342-A1346 WeakPolarHBondContact O-CB 3.31Å; F1342-A1346 PolarHBondContact O-N 2.94Å; Q1344-A1346 VanDerWaalsContact C-N 3.27Å; Q1344-A1346 PolarHBondContact O-N 3.35Å; A1346-N1350 VanDerWaalsContact O-CA 3.31Å; A1346-N1350 WeakPolarHBondContact O-CA 3.43Å; A1346-N1350 PolarHBondContact O-N 3.02Å; A1346-V1351 CarbonylContact C-O 3.54Å; A1346-V1351 WeakPolarHBondContact CB-O 3.41Å; A1346-V1351 PolarHBondContact O-N 3.33Å; A1346-V1353 HydrophobicContact CB-CB 4.18Å; A1346-V1353 HydrophobicContact CB-CG2 3.65Å; A1346-I1356 HydrophobicContact CB-CD1 3.74Å |
| 1347 | K | 83.6 | Confident | 80.4 | Confident | 144 Ų | 144 | 63.5 Ų | 63.5 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67 | -45 | 176.5 | -71.2 | 169.1 | -176.4 | 173 | 0 | 111.8 | E1343 Q1344 N1350 | E1343-K1347 WeakPolarHBondContact O-CG 3.29Å; E1343-K1347 PolarHBondContact O-N 2.8Å; E1343-K1347 VanDerWaalsContact O-N 3.14Å; E1343-K1347 WeakPolarHBondContact OE1-CE 3.14Å; E1343-K1347 IonicContact OE1-NZ 2.71Å; E1343-K1347 PolarHBondContact OE1-NZ 3.48Å; Q1344-K1347 PolarHBondContact O-N 2.86Å; Q1344-K1347 VanDerWaalsContact O-N 3.08Å; K1347-N1350 PolarHBondContact O-N 3.16Å |
| 1348 | E | 85.2 | Confident | 81.9 | Confident | 73 Ų | 73 | 66 Ų | 66 | 34% | 0.341 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 178.7 | -74.8 | 178.9 | -163.7 | 0 | 0 | 113 | Q1344 N1350 N1415 I1417 | Q1344-E1348 HydrophobicContact CG-CG 4.34Å; Q1344-E1348 WeakPolarHBondContact CG-OE1 3.41Å; Q1344-E1348 PolarHBondContact NE2-OE1 2.76Å; Q1344-E1348 PolarHBondContact O-N 2.81Å; E1348-N1350 VanDerWaalsContact C-N 3.28Å; E1348-N1415 PolarHBondContact OE2-ND2 3.49Å; E1348-N1415 VanDerWaalsContact OE2-ND2 3.1Å; E1348-I1417 HydrophobicContact CB-CD1 3.75Å; E1348-I1417 HydrophobicContact CB-CG2 4.46Å |
| 1349 | A | 86.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80.7 | -8.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1345 V1351 L1409 I1417 H1450 | L1345-A1349 VanDerWaalsContact O-CB 3.3Å; L1345-A1349 WeakPolarHBondContact O-CB 3.41Å; L1345-A1349 PolarHBondContact O-N 3.07Å; A1349-V1351 HydrophobicContact CB-CG1 4.42Å; A1349-V1351 HydrophobicContact CB-CG2 4.03Å; A1349-L1409 HydrophobicContact CB-CD1 4.42Å; A1349-L1409 HydrophobicContact CB-CD2 3.66Å; A1349-I1417 HydrophobicContact CB-CD1 3.94Å; A1349-I1417 HydrophobicContact CB-CG1 4.36Å; A1349-H1450 PolarHBondContact O-CE1 2.91Å; A1349-H1450 PolarHBondContact O-NE2 3.41Å |
| 1350 | N | 85.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 65.9 | -168.4 | -171.3 | 18.2 | 0 | 0 | 0 | 111.5 | A1346 K1347 E1348 H1380 Y1449 H1450 | A1346-N1350 VanDerWaalsContact O-CA 3.31Å; A1346-N1350 WeakPolarHBondContact O-CA 3.43Å; A1346-N1350 PolarHBondContact O-N 3.02Å; K1347-N1350 PolarHBondContact O-N 3.16Å; E1348-N1350 VanDerWaalsContact C-N 3.28Å; N1350-H1380 PolarHBondContact ND2-CE1 3.28Å; N1350-Y1449 VanDerWaalsContact O-CD1 3.32Å; N1350-Y1449 WeakPolarHBondContact O-CD1 3.37Å; N1350-Y1449 WeakPolarHBondContact O-CE1 2.92Å; N1350-H1450 PolarHBondContact O-NE2 3.48Å |
| 1351 | V | 88.1 | Confident | 86.1 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -140.1 | 157.6 | 175.4 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | A1346 A1349 I1356 A1443 A1446 Y1449 H1450 | A1346-V1351 CarbonylContact C-O 3.54Å; A1346-V1351 WeakPolarHBondContact CB-O 3.41Å; A1346-V1351 PolarHBondContact O-N 3.33Å; A1349-V1351 HydrophobicContact CB-CG1 4.42Å; A1349-V1351 HydrophobicContact CB-CG2 4.03Å; V1351-I1356 HydrophobicContact CG2-CD1 4.34Å; V1351-I1356 HydrophobicContact CG2-CG1 4.32Å; V1351-A1443 HydrophobicContact CG1-CB 4.41Å; V1351-A1443 HydrophobicContact CG2-CB 3.93Å; V1351-A1446 HydrophobicContact CG1-CB 4.14Å; V1351-Y1449 HydrophobicContact CG1-CD1 4.21Å; V1351-H1450 WeakPolarHBondContact CG1-CE1 3.27Å |
| 1352 | P | 85.1 | Confident | 86.1 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | trans | -69 | 133.5 | 176 | -18.6 | 32.8 | 0 | 0 | 0 | 111.9 | K1354 S1355 Y1449 | P1352-K1354 HydrophobicContact CB-CG 3.97Å; P1352-K1354 PolarHBondContact O-N 2.98Å; P1352-S1355 PolarHBondContact O-N 3.48Å; P1352-S1355 PolarHBondContact O-OG 3.39Å; P1352-Y1449 HydrophobicContact CG-CD2 4.06Å; P1352-Y1449 HydrophobicContact CG-CE2 3.7Å | ||
| 1353 | V | 85 | Confident | 85.6 | Confident | 69 Ų | 69 | 57.7 Ų | 57.7 | 42% | 0.418 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -47 | -41.1 | 179.5 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | F1342 E1343 A1346 S1355 I1356 | F1342-V1353 HydrophobicContact CB-CG1 4.05Å; E1343-V1353 HydrophobicContact CG-CG2 4.1Å; A1346-V1353 HydrophobicContact CB-CB 4.18Å; A1346-V1353 HydrophobicContact CB-CG2 3.65Å; V1353-S1355 PolarHBondContact O-N 3.3Å; V1353-I1356 WeakPolarHBondContact O-CB 3.32Å; V1353-I1356 PolarHBondContact O-N 3.19Å |
| 1354 | K | 82.7 | Confident | 85.2 | Confident | 169 Ų | 169 | 55.3 Ų | 55.3 | 74% | 0.735 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -62.6 | -5.8 | 178.2 | 67.1 | 174.1 | -177.8 | 179.2 | 0 | 116.3 | P1352 | P1352-K1354 HydrophobicContact CB-CG 3.97Å; P1352-K1354 PolarHBondContact O-N 2.98Å |
| 1355 | S | 87.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -94.7 | -13.1 | 170.8 | 75 | 0 | 0 | 0 | 0 | 112.9 | P1352 V1353 K1444 | P1352-S1355 PolarHBondContact O-N 3.48Å; P1352-S1355 PolarHBondContact O-OG 3.39Å; V1353-S1355 PolarHBondContact O-N 3.3Å; S1355-K1444 WeakPolarHBondContact O-CB 3.28Å; S1355-K1444 WeakPolarHBondContact O-CG 3.24Å; S1355-K1444 PolarHBondContact O-N 2.93Å |
| 1356 | I | 92.6 | Very high | 83.7 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.2 | -176.7 | -59.1 | -177.5 | 0 | 0 | 0 | 109.9 | F1342 L1345 A1346 V1351 V1353 L1409 I1441 I1442 A1443 | F1342-I1356 HydrophobicContact CD1-CG2 3.64Å; F1342-I1356 HydrophobicContact CE1-CG2 4.17Å; F1342-I1356 HydrophobicContact CG-CG2 4.35Å; F1342-I1356 WeakPolarHBondContact O-CD1 3.32Å; L1345-I1356 HydrophobicContact CB-CD1 4.21Å; A1346-I1356 HydrophobicContact CB-CD1 3.74Å; V1351-I1356 HydrophobicContact CG2-CD1 4.34Å; V1351-I1356 HydrophobicContact CG2-CG1 4.32Å; V1353-I1356 WeakPolarHBondContact O-CB 3.32Å; V1353-I1356 PolarHBondContact O-N 3.19Å; I1356-L1409 HydrophobicContact CD1-CD1 3.69Å; I1356-L1409 HydrophobicContact CG1-CD1 3.99Å; I1356-L1409 HydrophobicContact CG2-CD1 4.37Å; I1356-I1441 HydrophobicContact CG2-CG2 3.33Å; I1356-I1442 WeakPolarHBondContact CA-O 3.49Å; I1356-A1443 HydrophobicContact CG1-CB 4.38Å |
| 1357 | T | 90.3 | Very high | 83.3 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.5 | -176.5 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | I1441 I1442 K1444 | T1357-I1441 WeakPolarHBondContact O-CA 3.23Å; T1357-I1442 PolarHBondContact N-O 3.26Å; T1357-I1442 PolarHBondContact O-N 3.25Å; T1357-I1442 PolarHBondContact OG1-O 2.95Å; T1357-K1444 HydrophobicContact CG2-CG 3.97Å; T1357-K1444 WeakPolarHBondContact OG1-CE 3.12Å |
| 1358 | Q | 89.3 | Confident | 83.4 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.3 | 175.3 | -171.5 | 176.6 | -8.1 | 0 | 0 | 109 | Q1439 M1440 I1441 | Q1358-Q1439 HydrophobicContact CG-CG 4.32Å; Q1358-Q1439 VanDerWaalsContact NE2-NE2 3.17Å; Q1358-M1440 WeakPolarHBondContact CA-O 3.4Å; Q1358-I1441 HydrophobicContact CB-CG1 4.4Å; Q1358-I1441 HydrophobicContact CG-CG1 4.32Å |
| 1359 | I | 89.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141.2 | -175.9 | -67.8 | 175.2 | 0 | 0 | 0 | 108.6 | R1401 L1402 M1440 I1442 | I1359-R1401 HydrophobicContact CD1-CB 3.86Å; I1359-L1402 HydrophobicContact CD1-CD2 3.69Å; I1359-L1402 HydrophobicContact CG2-CD2 4.27Å; I1359-M1440 PolarHBondContact N-O 3.24Å; I1359-M1440 PolarHBondContact O-N 2.9Å; I1359-I1442 HydrophobicContact CB-CD1 4.09Å; I1359-I1442 HydrophobicContact CD1-CD1 4.1Å; I1359-I1442 HydrophobicContact CG1-CD1 4.47Å |
| 1360 | F | 87.8 | Confident | 83.7 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.3 | 172.6 | 170.8 | -105.7 | 0 | 0 | 0 | 109.1 | L1334 K1362 R1401 D1436 I1438 Q1439 | L1334-F1360 HydrophobicContact CD1-CD2 4.05Å; L1334-F1360 HydrophobicContact CD1-CE2 3.36Å; L1334-F1360 HydrophobicContact CD1-CZ 3.94Å; L1334-F1360 HydrophobicContact CD2-CD2 4.12Å; L1334-F1360 HydrophobicContact CD2-CE2 3.73Å; L1334-F1360 HydrophobicContact CG-CE2 4.2Å; F1360-K1362 HydrophobicContact CE1-CB 4.44Å; F1360-R1401 PolarHBondContact O-NH2 3.41Å; F1360-D1436 WeakPolarHBondContact CZ-O 3.32Å; F1360-I1438 WeakPolarHBondContact CA-O 3.48Å; F1360-I1438 WeakPolarHBondContact CD2-O 3.38Å; F1360-Q1439 HydrophobicContact CB-CG 4.5Å; F1360-Q1439 HydrophobicContact CD2-CB 4.4Å |
| 1361 | L | 85.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.1 | -176.4 | -155.4 | 78.8 | 0 | 0 | 0 | 110.5 | L1368 L1370 A1395 A1396 D1399 L1402 G1437 I1438 | L1361-L1368 HydrophobicContact CD2-CB 3.99Å; L1361-L1368 HydrophobicContact CD2-CD2 4.04Å; L1361-L1368 WeakPolarHBondContact CD2-O 3.36Å; L1361-L1370 HydrophobicContact CD2-CD2 4.25Å; L1361-A1395 HydrophobicContact CD2-CB 4.2Å; L1361-A1395 HydrophobicContact CG-CB 4.37Å; L1361-A1396 HydrophobicContact CD2-CB 4.3Å; L1361-D1399 HydrophobicContact CD1-CB 3.43Å; L1361-D1399 VanDerWaalsContact CD1-CB 3.43Å; L1361-L1402 HydrophobicContact CD1-CD1 4.16Å; L1361-L1402 HydrophobicContact CD2-CD1 4.21Å; L1361-G1437 CarbonylContact O-C 3.55Å; L1361-G1437 WeakPolarHBondContact O-CA 3.38Å; L1361-I1438 PolarHBondContact N-O 3.31Å; L1361-I1438 PolarHBondContact O-N 2.89Å |
| 1362 | K | 79.9 | Confident | 84.1 | Confident | 133 Ų | 133 | 56.8 Ų | 56.8 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | trans | -83 | 137.9 | 174.1 | -175.8 | 153.6 | -171.2 | 160.7 | 0 | 110.3 | F1360 A1395 D1436 | F1360-K1362 HydrophobicContact CE1-CB 4.44Å; K1362-A1395 WeakPolarHBondContact O-CB 3.45Å; K1362-D1436 WeakPolarHBondContact CG-O 3.41Å | ||
| 1363 | K | 74.2 | Confident | 84.4 | Confident | 27 Ų | 27 | 56 Ų | 56 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | trans | -64.7 | 148.5 | -178.3 | -59.1 | -175.3 | -157.4 | 166.7 | 0 | 111.8 | N1432 S1434 D1435 | K1363-N1432 VanDerWaalsContact CE-O 3.25Å; K1363-N1432 WeakPolarHBondContact CE-O 3.45Å; K1363-N1432 VanDerWaalsContact CE-OD1 3.28Å; K1363-N1432 WeakPolarHBondContact CE-OD1 3.5Å; K1363-N1432 PolarHBondContact NZ-O 2.86Å; K1363-S1434 WeakPolarHBondContact CE-O 3.28Å; K1363-S1434 PolarHBondContact NZ-O 3.15Å; K1363-D1435 IonicContact NZ-OD1 2.73Å; K1363-D1435 PolarHBondContact NZ-OD1 2.88Å | ||
| 1364 | I | 72.4 | Confident | 84.7 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -129.1 | 127.1 | 163.4 | -56.9 | -177.3 | 0 | 0 | 0 | 107.8 | N1366 S1367 A1395 Q1398 | I1364-N1366 VanDerWaalsContact C-N 3.27Å; I1364-N1366 PolarHBondContact O-N 3.17Å; I1364-S1367 PolarHBondContact N-O 3.19Å; I1364-S1367 VanDerWaalsContact N-O 3.15Å; I1364-S1367 PolarHBondContact O-N 3.4Å; I1364-S1367 PolarHBondContact O-OG 3.3Å; I1364-A1395 HydrophobicContact CB-CB 4.2Å; I1364-A1395 HydrophobicContact CD1-CB 4.29Å; I1364-A1395 HydrophobicContact CG1-CB 3.96Å; I1364-Q1398 HydrophobicContact CD1-CB 4.32Å; I1364-Q1398 HydrophobicContact CD1-CG 4.27Å |
| 1365 | N | 68.9 | Low | 85.1 | Confident | 157 Ų | 157 | 46.5 Ų | 46.5 | 84% | 0.84 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 45.3 | -175.7 | -59.1 | -17 | 0 | 0 | 0 | 113.1 | S1367 | N1365-S1367 PolarHBondContact O-N 2.73Å; N1365-S1367 VanDerWaalsContact O-N 3.09Å |
| 1366 | N | 71.4 | Confident | 84.9 | Confident | 126 Ų | 126 | 49.5 Ų | 49.5 | 67% | 0.674 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 20.5 | -174.6 | -68.5 | 22.9 | 0 | 0 | 0 | 115.5 | I1364 | I1364-N1366 VanDerWaalsContact C-N 3.27Å; I1364-N1366 PolarHBondContact O-N 3.17Å |
| 1367 | S | 78 | Confident | 84.2 | Confident | 50 Ų | 50 | 49 Ų | 49 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 154.6 | 179.6 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | I1364 N1365 | I1364-S1367 PolarHBondContact N-O 3.19Å; I1364-S1367 VanDerWaalsContact N-O 3.15Å; I1364-S1367 PolarHBondContact O-N 3.4Å; I1364-S1367 PolarHBondContact O-OG 3.3Å; N1365-S1367 PolarHBondContact O-N 2.73Å; N1365-S1367 VanDerWaalsContact O-N 3.09Å |
| 1368 | L | 85.5 | Confident | 83.4 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -91.3 | -10.2 | 170.3 | -58.2 | 174.7 | 0 | 0 | 0 | 112.4 | L1361 L1370 A1396 I1428 I1438 | L1361-L1368 HydrophobicContact CD2-CB 3.99Å; L1361-L1368 HydrophobicContact CD2-CD2 4.04Å; L1361-L1368 WeakPolarHBondContact CD2-O 3.36Å; L1368-L1370 VanDerWaalsContact C-N 3.33Å; L1368-L1370 HydrophobicContact CB-CD2 3.94Å; L1368-L1370 HydrophobicContact CB-CG 3.97Å; L1368-L1370 PolarHBondContact O-N 2.96Å; L1368-A1396 VanDerWaalsContact O-CB 3.28Å; L1368-A1396 WeakPolarHBondContact O-CB 3.46Å; L1368-A1396 PolarHBondContact O-N 3.22Å; L1368-I1428 HydrophobicContact CD1-CG2 3.95Å; L1368-I1438 HydrophobicContact CD1-CD1 3.81Å; L1368-I1438 HydrophobicContact CD2-CD1 3.82Å; L1368-I1438 HydrophobicContact CD2-CG1 4.23Å; L1368-I1438 HydrophobicContact CG-CD1 4.36Å | ||
| 1369 | G | 88.5 | Confident | 82.6 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | trans | 63.9 | 29.1 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1391 | G1369-V1391 WeakPolarHBondContact O-CB 3.32Å; G1369-V1391 PolarHBondContact O-N 3.31Å | ||
| 1370 | L | 89.5 | Confident | 81.9 | Confident | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.1 | -178.2 | 62 | 88.3 | 0 | 0 | 0 | 112.1 | L1361 L1368 I1372 A1396 L1402 | L1361-L1370 HydrophobicContact CD2-CD2 4.25Å; L1368-L1370 VanDerWaalsContact C-N 3.33Å; L1368-L1370 HydrophobicContact CB-CD2 3.94Å; L1368-L1370 HydrophobicContact CB-CG 3.97Å; L1368-L1370 PolarHBondContact O-N 2.96Å; L1370-I1372 HydrophobicContact CD1-CG2 3.71Å; L1370-A1396 HydrophobicContact CB-CB 4.04Å; L1370-A1396 HydrophobicContact CD2-CB 4.29Å; L1370-L1402 HydrophobicContact CD2-CD1 3.89Å |
| 1371 | S | 89.5 | Confident | 81.2 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.4 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | I1387 K1388 D1389 | S1371-I1387 CarbonylContact O-C 3.59Å; S1371-I1387 WeakPolarHBondContact O-CA 3.48Å; S1371-K1388 PolarHBondContact O-N 3.07Å; S1371-D1389 PolarHBondContact N-O 2.9Å; S1371-D1389 PolarHBondContact O-N 3.11Å |
| 1372 | I | 92.9 | Very high | 81.1 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 152.3 | -175.4 | 57.2 | 155.8 | 0 | 0 | 0 | 113.3 | L1370 I1385 Y1386 I1408 Q1421 A1424 V1425 I1428 | L1370-I1372 HydrophobicContact CD1-CG2 3.71Å; I1372-I1385 HydrophobicContact CB-CG2 4.08Å; I1372-I1385 HydrophobicContact CD1-CG2 3.67Å; I1372-I1385 HydrophobicContact CG1-CG2 4.5Å; I1372-I1385 HydrophobicContact CG2-CG2 4.32Å; I1372-Y1386 CarbonylContact C-O 3.44Å; I1372-Y1386 VanDerWaalsContact CA-O 3.25Å; I1372-Y1386 WeakPolarHBondContact CA-O 3.16Å; I1372-I1408 HydrophobicContact CG2-CD1 3.82Å; I1372-Q1421 PolarHBondContact O-NE2 2.59Å; I1372-A1424 HydrophobicContact CD1-CB 4.36Å; I1372-V1425 HydrophobicContact CD1-CG2 3.85Å; I1372-V1425 HydrophobicContact CG1-CG2 4.29Å; I1372-I1428 HydrophobicContact CD1-CD1 3.52Å |
| 1373 | V | 92.1 | Very high | 81.5 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.6 | 175 | 63.7 | 0 | 0 | 0 | 0 | 110.2 | Y1386 K1388 I1456 | V1373-Y1386 PolarHBondContact N-O 2.83Å; V1373-Y1386 PolarHBondContact O-N 3.34Å; V1373-K1388 HydrophobicContact CB-CB 4.28Å; V1373-K1388 HydrophobicContact CB-CD 4.42Å; V1373-K1388 HydrophobicContact CG1-CB 4.02Å; V1373-K1388 HydrophobicContact CG1-CG 4.49Å; V1373-I1456 HydrophobicContact CG1-CD1 4.44Å; V1373-I1456 HydrophobicContact CG1-CG1 3.98Å; V1373-I1456 HydrophobicContact CG1-CG2 4.04Å |
| 1374 | A | 91.2 | Very high | 82.3 | Confident | 22 Ų | 22 | 69 Ų | 69 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G1384 I1385 Q1421 | A1374-G1384 WeakPolarHBondContact CA-O 3.47Å; A1374-I1385 HydrophobicContact CB-CD1 3.72Å; A1374-Q1421 HydrophobicContact CB-CB 3.7Å; A1374-Q1421 HydrophobicContact CB-CG 4.32Å |
| 1375 | A | 89.3 | Confident | 83.4 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 161 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1384 Y1386 I1452 I1456 | A1375-G1384 PolarHBondContact N-O 2.77Å; A1375-G1384 PolarHBondContact O-N 2.93Å; A1375-Y1386 HydrophobicContact CB-CD2 3.8Å; A1375-Y1386 HydrophobicContact CB-CE2 3.88Å; A1375-I1452 HydrophobicContact CB-CD1 3.85Å; A1375-I1456 HydrophobicContact CB-CD1 4.2Å; A1375-I1456 HydrophobicContact CB-CG1 4.35Å |
| 1376 | K | 84.7 | Confident | 84.6 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | trans | -145.2 | 130 | 179.3 | -170.8 | 166.7 | 81.2 | 142.2 | 0 | 109.3 | H1380 R1381 L1382 Y1383 | K1376-H1380 HydrophobicContact CD-CB 4.48Å; K1376-H1380 VanDerWaalsContact CD-O 3.24Å; K1376-H1380 WeakPolarHBondContact CD-O 3.26Å; K1376-H1380 VanDerWaalsContact CE-O 3.25Å; K1376-H1380 WeakPolarHBondContact CE-O 3.41Å; K1376-H1380 HydrophobicContact CG-CB 3.96Å; K1376-H1380 PolarHBondContact NZ-O 2.94Å; K1376-R1381 WeakPolarHBondContact CD-O 3.44Å; K1376-R1381 PolarHBondContact NZ-O 3.39Å; K1376-L1382 VanDerWaalsContact CD-O 3.26Å; K1376-L1382 WeakPolarHBondContact CD-O 3.25Å; K1376-L1382 WeakPolarHBondContact CG-O 3.32Å; K1376-Y1383 HydrophobicContact CB-CD1 3.74Å; K1376-Y1383 HydrophobicContact CB-CE1 3.91Å; K1376-Y1383 HydrophobicContact CB-CG 4.26Å; K1376-Y1383 HydrophobicContact CD-CD2 4.41Å; K1376-Y1383 HydrophobicContact CD-CE2 4.47Å; K1376-Y1383 HydrophobicContact CD-CG 4.47Å | ||
| 1377 | A | 77.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | trans | -74.6 | 154.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | H1380 H1450 I1452 | A1377-H1380 WeakPolarHBondContact O-CB 3.27Å; A1377-H1380 PolarHBondContact O-N 3.33Å; A1377-H1380 VanDerWaalsContact O-N 3.15Å; A1377-H1450 HydrophobicContact CB-CB 4.07Å; A1377-H1450 WeakPolarHBondContact CB-O 3.39Å; A1377-I1452 HydrophobicContact CB-CG2 4Å | ||
| 1378 | E | 74 | Confident | 86.3 | Confident | 200 Ų | 200 | 55.6 Ų | 55.6 | 94% | 0.935 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 140.8 | 176.7 | -163.8 | 160.3 | -149 | 0 | 0 | 111 | H1380 | E1378-H1380 PolarHBondContact O-N 3.39Å; E1378-H1380 VanDerWaalsContact O-N 3.14Å |
| 1379 | G | 71.1 | Confident | 86.6 | Confident | 80 Ų | 80 | 59.4 Ų | 59.4 | 83% | 0.825 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -21.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1380 | H | 75.2 | Confident | 86.7 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 25% | 0.25 | 31% | 0.309 | C | S | . | . | trans | -70.6 | 143.8 | 175.6 | -74.4 | -126.4 | 0 | 0 | 0 | 111.1 | N1350 K1376 A1377 E1378 H1450 | N1350-H1380 PolarHBondContact ND2-CE1 3.28Å; K1376-H1380 HydrophobicContact CD-CB 4.48Å; K1376-H1380 VanDerWaalsContact CD-O 3.24Å; K1376-H1380 WeakPolarHBondContact CD-O 3.26Å; K1376-H1380 VanDerWaalsContact CE-O 3.25Å; K1376-H1380 WeakPolarHBondContact CE-O 3.41Å; K1376-H1380 HydrophobicContact CG-CB 3.96Å; K1376-H1380 PolarHBondContact NZ-O 2.94Å; A1377-H1380 WeakPolarHBondContact O-CB 3.27Å; A1377-H1380 PolarHBondContact O-N 3.33Å; A1377-H1380 VanDerWaalsContact O-N 3.15Å; E1378-H1380 PolarHBondContact O-N 3.39Å; E1378-H1380 VanDerWaalsContact O-N 3.14Å; H1380-H1450 AromaticContact CE1-CD2 3.37Å; H1380-H1450 PolarHBondContact CE1-CD2 2.81Å; H1380-H1450 AromaticContact CE1-NE2 3.73Å; H1380-H1450 AromaticContact NE2-CD2 3.94Å | ||
| 1381 | R | 74.2 | Confident | 86.7 | Confident | 229 Ų | 229 | 62 Ų | 62 | 86% | 0.864 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -81.6 | -49.2 | 177.1 | -68.5 | -170.6 | 179.2 | -166.2 | -0 | 112.5 | K1376 | K1376-R1381 WeakPolarHBondContact CD-O 3.44Å; K1376-R1381 PolarHBondContact NZ-O 3.39Å |
| 1382 | L | 83.3 | Confident | 86.5 | Confident | 97 Ų | 97 | 64.2 Ų | 64.2 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -92.1 | 149.7 | -174.2 | -59 | -179.9 | 0 | 0 | 0 | 112.8 | K1376 I1417 | K1376-L1382 VanDerWaalsContact CD-O 3.26Å; K1376-L1382 WeakPolarHBondContact CD-O 3.25Å; K1376-L1382 WeakPolarHBondContact CG-O 3.32Å; L1382-I1417 HydrophobicContact CB-CG2 4.49Å; L1382-I1417 HydrophobicContact CD1-CG2 3.94Å |
| 1383 | Y | 87.9 | Confident | 86.2 | Confident | 117 Ų | 117 | 68.2 Ų | 68.2 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | trans | -77.4 | 151.2 | 169.1 | -72.6 | -92.7 | 0 | 0 | 0 | 111.5 | K1376 G1418 | K1376-Y1383 HydrophobicContact CB-CD1 3.74Å; K1376-Y1383 HydrophobicContact CB-CE1 3.91Å; K1376-Y1383 HydrophobicContact CB-CG 4.26Å; K1376-Y1383 HydrophobicContact CD-CD2 4.41Å; K1376-Y1383 HydrophobicContact CD-CE2 4.47Å; K1376-Y1383 HydrophobicContact CD-CG 4.47Å; Y1383-G1418 WeakPolarHBondContact O-CA 3.19Å; Y1383-G1418 PolarHBondContact O-N 2.72Å | ||
| 1384 | G | 90.9 | Very high | 85.9 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 150.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1374 A1375 Y1386 | A1374-G1384 WeakPolarHBondContact CA-O 3.47Å; A1375-G1384 PolarHBondContact N-O 2.77Å; A1375-G1384 PolarHBondContact O-N 2.93Å; G1384-Y1386 WeakPolarHBondContact O-CD2 3.37Å; G1384-Y1386 WeakPolarHBondContact O-CE2 3.29Å |
| 1385 | I | 94.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 108.7 | 176 | -56.4 | -57.2 | 0 | 0 | 0 | 108.9 | I1372 A1374 Q1407 I1408 L1416 A1424 | I1372-I1385 HydrophobicContact CB-CG2 4.08Å; I1372-I1385 HydrophobicContact CD1-CG2 3.67Å; I1372-I1385 HydrophobicContact CG1-CG2 4.5Å; I1372-I1385 HydrophobicContact CG2-CG2 4.32Å; A1374-I1385 HydrophobicContact CB-CD1 3.72Å; I1385-Q1407 CarbonylContact O-C 3.55Å; I1385-Q1407 WeakPolarHBondContact O-CA 3.32Å; I1385-Q1407 WeakPolarHBondContact O-CG 3.42Å; I1385-I1408 HydrophobicContact CG2-CD1 4.37Å; I1385-I1408 PolarHBondContact O-N 2.74Å; I1385-L1416 HydrophobicContact CG1-CB 4.09Å; I1385-A1424 HydrophobicContact CD1-CB 3.47Å; I1385-A1424 VanDerWaalsContact CD1-CB 3.47Å; I1385-A1424 HydrophobicContact CG1-CB 3.62Å; I1385-A1424 HydrophobicContact CG2-CB 4.21Å |
| 1386 | Y | 94 | Very high | 85.7 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.8 | -175.3 | -54.8 | -94.4 | 0 | 0 | 0 | 111.4 | I1372 V1373 A1375 G1384 K1388 D1406 Q1407 A1446 A1447 H1450 I1452 I1456 | I1372-Y1386 CarbonylContact C-O 3.44Å; I1372-Y1386 VanDerWaalsContact CA-O 3.25Å; I1372-Y1386 WeakPolarHBondContact CA-O 3.16Å; V1373-Y1386 PolarHBondContact N-O 2.83Å; V1373-Y1386 PolarHBondContact O-N 3.34Å; A1375-Y1386 HydrophobicContact CB-CD2 3.8Å; A1375-Y1386 HydrophobicContact CB-CE2 3.88Å; G1384-Y1386 WeakPolarHBondContact O-CD2 3.37Å; G1384-Y1386 WeakPolarHBondContact O-CE2 3.29Å; Y1386-K1388 PolarHBondContact O-N 3.35Å; Y1386-D1406 CarbonylContact C-O 3.47Å; Y1386-D1406 VanDerWaalsContact CA-O 3.32Å; Y1386-D1406 WeakPolarHBondContact CA-O 3.19Å; Y1386-Q1407 HydrophobicContact CD1-CB 3.65Å; Y1386-Q1407 HydrophobicContact CD1-CG 4.1Å; Y1386-Q1407 HydrophobicContact CE1-CB 3.68Å; Y1386-Q1407 HydrophobicContact CE1-CG 3.9Å; Y1386-Q1407 HydrophobicContact CG-CB 4.45Å; Y1386-A1446 HydrophobicContact CD1-CB 4.39Å; Y1386-A1446 HydrophobicContact CE1-CB 3.96Å; Y1386-A1447 HydrophobicContact CD1-CB 3.86Å; Y1386-A1447 HydrophobicContact CE1-CB 4.26Å; Y1386-H1450 AromaticContact CE1-ND1 3.75Å; Y1386-H1450 AromaticContact CZ-ND1 3.83Å; Y1386-H1450 PolarHBondContact OH-ND1 3.03Å; Y1386-I1452 HydrophobicContact CD2-CD1 4.28Å; Y1386-I1452 HydrophobicContact CE1-CD1 4.15Å; Y1386-I1452 HydrophobicContact CE2-CD1 3.71Å; Y1386-I1456 HydrophobicContact CD1-CD1 4.21Å; Y1386-I1456 HydrophobicContact CD2-CD1 3.97Å; Y1386-I1456 HydrophobicContact CG-CD1 3.71Å |
| 1387 | I | 94 | Very high | 86 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 113.7 | 169.2 | -58.1 | -176.6 | 0 | 0 | 0 | 107.9 | S1371 I1390 L1402 T1404 G1405 D1406 I1408 | S1371-I1387 CarbonylContact O-C 3.59Å; S1371-I1387 WeakPolarHBondContact O-CA 3.48Å; I1387-I1390 HydrophobicContact CG2-CD1 4.27Å; I1387-I1390 HydrophobicContact CG2-CG1 3.79Å; I1387-L1402 HydrophobicContact CD1-CB 4.08Å; I1387-L1402 HydrophobicContact CD1-CD1 4.32Å; I1387-L1402 HydrophobicContact CD1-CD2 4.23Å; I1387-L1402 HydrophobicContact CD1-CG 4.45Å; I1387-T1404 WeakPolarHBondContact O-CA 3.45Å; I1387-G1405 PolarHBondContact O-N 3.21Å; I1387-D1406 HydrophobicContact CD1-CB 4.2Å; I1387-D1406 PolarHBondContact N-O 3.06Å; I1387-I1408 HydrophobicContact CG1-CD1 4.46Å; I1387-I1408 HydrophobicContact CG1-CG1 4.38Å |
| 1388 | K | 92.3 | Very high | 86.3 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -39.8 | 177.8 | -175.4 | 179.6 | 178.8 | 179.2 | 0 | 111.7 | S1371 V1373 Y1386 T1404 I1456 | S1371-K1388 PolarHBondContact O-N 3.07Å; V1373-K1388 HydrophobicContact CB-CB 4.28Å; V1373-K1388 HydrophobicContact CB-CD 4.42Å; V1373-K1388 HydrophobicContact CG1-CB 4.02Å; V1373-K1388 HydrophobicContact CG1-CG 4.49Å; Y1386-K1388 PolarHBondContact O-N 3.35Å; K1388-T1404 WeakPolarHBondContact O-CG2 3.29Å; K1388-I1456 HydrophobicContact CB-CG2 4.44Å; K1388-I1456 HydrophobicContact CG-CG2 4.4Å |
| 1389 | D | 90.5 | Very high | 87 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 160.8 | -177.7 | -164.5 | 20.7 | 0 | 0 | 0 | 111.1 | S1371 | S1371-D1389 PolarHBondContact N-O 2.9Å; S1371-D1389 PolarHBondContact O-N 3.11Å |
| 1390 | I | 91.4 | Very high | 87.8 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.9 | 177.7 | -67.8 | 179.6 | 0 | 0 | 0 | 108.4 | I1387 P1392 A1396 D1397 L1402 | I1387-I1390 HydrophobicContact CG2-CD1 4.27Å; I1387-I1390 HydrophobicContact CG2-CG1 3.79Å; I1390-P1392 WeakPolarHBondContact O-CD 3.13Å; I1390-A1396 HydrophobicContact CG2-CB 3.96Å; I1390-D1397 HydrophobicContact CG2-CB 3.78Å; I1390-L1402 VanDerWaalsContact CD1-C 3.44Å; I1390-L1402 HydrophobicContact CD1-CB 3.87Å; I1390-L1402 WeakPolarHBondContact CD1-O 3.22Å |
| 1391 | V | 89.4 | Confident | 88.6 | Confident | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | trans | -72.8 | 119.4 | -175.9 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | G1369 N1393 G1394 D1397 | G1369-V1391 WeakPolarHBondContact O-CB 3.32Å; G1369-V1391 PolarHBondContact O-N 3.31Å; V1391-N1393 PolarHBondContact O-N 2.74Å; V1391-G1394 WeakPolarHBondContact O-CA 3.35Å; V1391-G1394 PolarHBondContact O-N 3.46Å; V1391-D1397 WeakPolarHBondContact O-CB 3.32Å | ||
| 1392 | P | 86.4 | Confident | 89.5 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136.5 | -179.1 | -27.2 | 35.9 | 0 | 0 | 0 | 112.8 | I1390 G1394 D1397 | I1390-P1392 WeakPolarHBondContact O-CD 3.13Å; P1392-G1394 PolarHBondContact O-N 3.45Å; P1392-G1394 VanDerWaalsContact O-N 3.14Å; P1392-D1397 WeakPolarHBondContact CA-OD2 3.45Å |
| 1393 | N | 84.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 7.2 | -170.5 | -54 | -77.4 | 0 | 0 | 0 | 115.5 | V1391 D1397 Q1398 | V1391-N1393 PolarHBondContact O-N 2.74Å; N1393-D1397 PolarHBondContact N-OD2 3.44Å; N1393-Q1398 PolarHBondContact O-NE2 3.02Å |
| 1394 | G | 86 | Confident | 90 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -72.9 | 173.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1391 P1392 A1396 D1397 Q1398 | V1391-G1394 WeakPolarHBondContact O-CA 3.35Å; V1391-G1394 PolarHBondContact O-N 3.46Å; P1392-G1394 PolarHBondContact O-N 3.45Å; P1392-G1394 VanDerWaalsContact O-N 3.14Å; G1394-A1396 VanDerWaalsContact C-N 3.35Å; G1394-A1396 PolarHBondContact O-N 3.46Å; G1394-D1397 PolarHBondContact O-N 2.94Å; G1394-Q1398 PolarHBondContact O-N 3Å |
| 1395 | A | 87.9 | Confident | 90 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -43.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1361 K1362 I1364 D1397 D1399 | L1361-A1395 HydrophobicContact CD2-CB 4.2Å; L1361-A1395 HydrophobicContact CG-CB 4.37Å; K1362-A1395 WeakPolarHBondContact O-CB 3.45Å; I1364-A1395 HydrophobicContact CB-CB 4.2Å; I1364-A1395 HydrophobicContact CD1-CB 4.29Å; I1364-A1395 HydrophobicContact CG1-CB 3.96Å; A1395-D1397 VanDerWaalsContact C-N 3.31Å; A1395-D1397 PolarHBondContact O-N 2.83Å; A1395-D1399 VanDerWaalsContact O-CB 3.28Å; A1395-D1399 WeakPolarHBondContact O-CB 3.47Å; A1395-D1399 PolarHBondContact O-N 2.72Å |
| 1396 | A | 90.1 | Very high | 90 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -31.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1361 L1368 L1370 I1390 G1394 G1400 L1402 | L1361-A1396 HydrophobicContact CD2-CB 4.3Å; L1368-A1396 VanDerWaalsContact O-CB 3.28Å; L1368-A1396 WeakPolarHBondContact O-CB 3.46Å; L1368-A1396 PolarHBondContact O-N 3.22Å; L1370-A1396 HydrophobicContact CB-CB 4.04Å; L1370-A1396 HydrophobicContact CD2-CB 4.29Å; I1390-A1396 HydrophobicContact CG2-CB 3.96Å; G1394-A1396 VanDerWaalsContact C-N 3.35Å; G1394-A1396 PolarHBondContact O-N 3.46Å; A1396-G1400 PolarHBondContact O-N 2.76Å; A1396-L1402 HydrophobicContact CB-CB 4.49Å; A1396-L1402 HydrophobicContact CB-CD1 3.75Å |
| 1397 | D | 90.4 | Very high | 90 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -79.3 | -44.9 | 179.5 | -166.5 | 46.6 | 0 | 0 | 0 | 111.1 | I1390 V1391 P1392 N1393 G1394 A1395 D1399 G1400 | I1390-D1397 HydrophobicContact CG2-CB 3.78Å; V1391-D1397 WeakPolarHBondContact O-CB 3.32Å; P1392-D1397 WeakPolarHBondContact CA-OD2 3.45Å; N1393-D1397 PolarHBondContact N-OD2 3.44Å; G1394-D1397 PolarHBondContact O-N 2.94Å; A1395-D1397 VanDerWaalsContact C-N 3.31Å; A1395-D1397 PolarHBondContact O-N 2.83Å; D1397-D1399 VanDerWaalsContact C-N 3.25Å; D1397-D1399 PolarHBondContact O-N 3.13Å; D1397-G1400 PolarHBondContact O-N 2.86Å; D1397-G1400 VanDerWaalsContact O-N 3.08Å |
| 1398 | Q | 84.9 | Confident | 90 | Very high | 125 Ų | 125 | 53.6 Ų | 53.6 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.5 | -28.9 | 174.5 | -66.9 | -171.1 | 38.1 | 0 | 0 | 112.8 | I1364 N1393 G1394 | I1364-Q1398 HydrophobicContact CD1-CB 4.32Å; I1364-Q1398 HydrophobicContact CD1-CG 4.27Å; N1393-Q1398 PolarHBondContact O-NE2 3.02Å; G1394-Q1398 PolarHBondContact O-N 3Å |
| 1399 | D | 87.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.9 | -31.8 | 172.2 | -171.6 | 83.4 | 0 | 0 | 0 | 112.9 | L1361 A1395 D1397 R1401 | L1361-D1399 HydrophobicContact CD1-CB 3.43Å; L1361-D1399 VanDerWaalsContact CD1-CB 3.43Å; A1395-D1399 VanDerWaalsContact O-CB 3.28Å; A1395-D1399 WeakPolarHBondContact O-CB 3.47Å; A1395-D1399 PolarHBondContact O-N 2.72Å; D1397-D1399 VanDerWaalsContact C-N 3.25Å; D1397-D1399 PolarHBondContact O-N 3.13Å; D1399-R1401 PolarHBondContact O-N 3.08Å; D1399-R1401 IonicContact OD1-CZ 3.11Å; D1399-R1401 IonicContact OD1-NE 3.39Å; D1399-R1401 PolarHBondContact OD1-NE 2.71Å; D1399-R1401 IonicContact OD1-NH2 2.72Å; D1399-R1401 PolarHBondContact OD1-NH2 3.2Å; D1399-R1401 VanDerWaalsContact OD2-CB 3.29Å; D1399-R1401 WeakPolarHBondContact OD2-CB 3.48Å; D1399-R1401 IonicContact OD2-CZ 2.71Å; D1399-R1401 IonicContact OD2-NE 2.74Å; D1399-R1401 PolarHBondContact OD2-NE 2.8Å; D1399-R1401 IonicContact OD2-NH2 2.81Å; D1399-R1401 PolarHBondContact OD2-NH2 2.97Å |
| 1400 | G | 88.9 | Confident | 90.1 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | trans | 65.9 | -11.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | A1396 D1397 | A1396-G1400 PolarHBondContact O-N 2.76Å; D1397-G1400 PolarHBondContact O-N 2.86Å; D1397-G1400 VanDerWaalsContact O-N 3.08Å | ||
| 1401 | R | 90 | Very high | 89.9 | Confident | 123 Ų | 123 | 44.4 Ų | 44.4 | 46% | 0.464 | 24% | 0.242 | S | C | . | . | trans | -79.6 | -23.7 | -179.1 | -59.6 | 177.7 | -72.6 | -176.2 | -5.8 | 112.8 | I1359 F1360 D1399 K1444 | I1359-R1401 HydrophobicContact CD1-CB 3.86Å; F1360-R1401 PolarHBondContact O-NH2 3.41Å; D1399-R1401 PolarHBondContact O-N 3.08Å; D1399-R1401 IonicContact OD1-CZ 3.11Å; D1399-R1401 IonicContact OD1-NE 3.39Å; D1399-R1401 PolarHBondContact OD1-NE 2.71Å; D1399-R1401 IonicContact OD1-NH2 2.72Å; D1399-R1401 PolarHBondContact OD1-NH2 3.2Å; D1399-R1401 VanDerWaalsContact OD2-CB 3.29Å; D1399-R1401 WeakPolarHBondContact OD2-CB 3.48Å; D1399-R1401 IonicContact OD2-CZ 2.71Å; D1399-R1401 IonicContact OD2-NE 2.74Å; D1399-R1401 PolarHBondContact OD2-NE 2.8Å; D1399-R1401 IonicContact OD2-NH2 2.81Å; D1399-R1401 PolarHBondContact OD2-NH2 2.97Å; R1401-K1444 PolarHBondContact O-NZ 2.7Å | ||
| 1402 | L | 93.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -85.6 | 143.7 | 178 | -60.1 | -176.3 | 0 | 0 | 0 | 111.3 | I1359 L1361 L1370 I1387 I1390 A1396 I1442 | I1359-L1402 HydrophobicContact CD1-CD2 3.69Å; I1359-L1402 HydrophobicContact CG2-CD2 4.27Å; L1361-L1402 HydrophobicContact CD1-CD1 4.16Å; L1361-L1402 HydrophobicContact CD2-CD1 4.21Å; L1370-L1402 HydrophobicContact CD2-CD1 3.89Å; I1387-L1402 HydrophobicContact CD1-CB 4.08Å; I1387-L1402 HydrophobicContact CD1-CD1 4.32Å; I1387-L1402 HydrophobicContact CD1-CD2 4.23Å; I1387-L1402 HydrophobicContact CD1-CG 4.45Å; I1390-L1402 VanDerWaalsContact CD1-C 3.44Å; I1390-L1402 HydrophobicContact CD1-CB 3.87Å; I1390-L1402 WeakPolarHBondContact CD1-O 3.22Å; A1396-L1402 HydrophobicContact CB-CB 4.49Å; A1396-L1402 HydrophobicContact CB-CD1 3.75Å; L1402-I1442 HydrophobicContact CD2-CD1 3.51Å | ||
| 1403 | K | 91 | Very high | 89.3 | Confident | 138 Ų | 138 | 42 Ų | 42 | 60% | 0.6 | 22% | 0.221 | S | C | * | . | trans | -140.7 | 150.3 | 174.3 | -63.4 | -169.4 | 178.3 | -173.7 | 0 | 112.4 | G1405 D1406 | K1403-G1405 PolarHBondContact O-N 2.85Å; K1403-D1406 PolarHBondContact N-OD2 3.43Å; K1403-D1406 VanDerWaalsContact O-CB 3.25Å; K1403-D1406 WeakPolarHBondContact O-CB 3.31Å; K1403-D1406 VanDerWaalsContact O-CG 3.22Å; K1403-D1406 PolarHBondContact O-N 2.93Å | ||
| 1404 | T | 90.9 | Very high | 89.1 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 37% | 0.368 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 129.9 | 170.9 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | I1387 K1388 | I1387-T1404 WeakPolarHBondContact O-CA 3.45Å; K1388-T1404 WeakPolarHBondContact O-CG2 3.29Å |
| 1405 | G | 91.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -3.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1387 K1403 K1445 A1446 A1447 | I1387-G1405 PolarHBondContact O-N 3.21Å; K1403-G1405 PolarHBondContact O-N 2.85Å; G1405-K1445 CarbonylContact O-C 3.57Å; G1405-A1446 PolarHBondContact O-N 3.23Å; G1405-A1447 VanDerWaalsContact O-CB 3.27Å; G1405-A1447 WeakPolarHBondContact O-CB 3.46Å; G1405-A1447 PolarHBondContact O-N 2.9Å |
| 1406 | D | 95.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | trans | -69.1 | 144.7 | 163.7 | -70.8 | -14.6 | 0 | 0 | 0 | 110.6 | Y1386 I1387 K1403 I1442 K1444 K1445 | Y1386-D1406 CarbonylContact C-O 3.47Å; Y1386-D1406 VanDerWaalsContact CA-O 3.32Å; Y1386-D1406 WeakPolarHBondContact CA-O 3.19Å; I1387-D1406 HydrophobicContact CD1-CB 4.2Å; I1387-D1406 PolarHBondContact N-O 3.06Å; K1403-D1406 PolarHBondContact N-OD2 3.43Å; K1403-D1406 VanDerWaalsContact O-CB 3.25Å; K1403-D1406 WeakPolarHBondContact O-CB 3.31Å; K1403-D1406 VanDerWaalsContact O-CG 3.22Å; K1403-D1406 PolarHBondContact O-N 2.93Å; D1406-I1442 HydrophobicContact CB-CG2 3.73Å; D1406-K1444 VanDerWaalsContact OD1-CA 3.3Å; D1406-K1444 WeakPolarHBondContact OD1-CA 3.22Å; D1406-K1444 IonicContact OD2-NZ 2.9Å; D1406-K1444 PolarHBondContact OD2-NZ 2.74Å; D1406-K1445 PolarHBondContact OD1-N 2.58Å | ||
| 1407 | Q | 93.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.4 | 174.6 | -175.6 | -171.4 | -11.5 | 0 | 0 | 110.8 | I1385 Y1386 L1409 I1442 A1443 A1446 H1450 | I1385-Q1407 CarbonylContact O-C 3.55Å; I1385-Q1407 WeakPolarHBondContact O-CA 3.32Å; I1385-Q1407 WeakPolarHBondContact O-CG 3.42Å; Y1386-Q1407 HydrophobicContact CD1-CB 3.65Å; Y1386-Q1407 HydrophobicContact CD1-CG 4.1Å; Y1386-Q1407 HydrophobicContact CE1-CB 3.68Å; Y1386-Q1407 HydrophobicContact CE1-CG 3.9Å; Y1386-Q1407 HydrophobicContact CG-CB 4.45Å; Q1407-L1409 HydrophobicContact CB-CD2 4.4Å; Q1407-L1409 HydrophobicContact CG-CD2 3.88Å; Q1407-I1442 CarbonylContact O-C 3.59Å; Q1407-I1442 VanDerWaalsContact O-CA 3.23Å; Q1407-I1442 WeakPolarHBondContact O-CA 3.32Å; Q1407-A1443 HydrophobicContact CB-CB 4.43Å; Q1407-A1443 PolarHBondContact N-O 2.79Å; Q1407-A1443 PolarHBondContact O-N 2.65Å; Q1407-A1446 HydrophobicContact CB-CB 3.38Å; Q1407-H1450 PolarHBondContact OE1-CE1 3.43Å |
| 1408 | I | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.3 | 172.2 | -48.1 | 165.9 | 0 | 0 | 0 | 107.7 | I1372 I1385 I1387 L1416 M1440 I1442 | I1372-I1408 HydrophobicContact CG2-CD1 3.82Å; I1385-I1408 HydrophobicContact CG2-CD1 4.37Å; I1385-I1408 PolarHBondContact O-N 2.74Å; I1387-I1408 HydrophobicContact CG1-CD1 4.46Å; I1387-I1408 HydrophobicContact CG1-CG1 4.38Å; I1408-L1416 HydrophobicContact CB-CD1 4.11Å; I1408-L1416 HydrophobicContact CG2-CD1 3.7Å; I1408-M1440 HydrophobicContact CB-CE 4.31Å; I1408-M1440 HydrophobicContact CD1-CE 3.51Å; I1408-M1440 HydrophobicContact CG1-CE 3.69Å; I1408-M1440 HydrophobicContact CG2-CE 3.61Å; I1408-I1442 HydrophobicContact CG1-CG1 4.35Å; I1408-I1442 HydrophobicContact CG2-CG1 4.42Å |
| 1409 | L | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -46 | 179.1 | -53.4 | -169.5 | 0 | 0 | 0 | 111.2 | L1345 A1349 I1356 Q1407 N1415 L1416 I1417 I1441 A1443 | L1345-L1409 HydrophobicContact CB-CD1 4.13Å; A1349-L1409 HydrophobicContact CB-CD1 4.42Å; A1349-L1409 HydrophobicContact CB-CD2 3.66Å; I1356-L1409 HydrophobicContact CD1-CD1 3.69Å; I1356-L1409 HydrophobicContact CG1-CD1 3.99Å; I1356-L1409 HydrophobicContact CG2-CD1 4.37Å; Q1407-L1409 HydrophobicContact CB-CD2 4.4Å; Q1407-L1409 HydrophobicContact CG-CD2 3.88Å; L1409-N1415 PolarHBondContact O-OD1 3.49Å; L1409-N1415 VanDerWaalsContact O-OD1 3.11Å; L1409-L1416 PolarHBondContact O-N 2.8Å; L1409-I1417 HydrophobicContact CB-CD1 4.44Å; L1409-I1417 HydrophobicContact CD2-CD1 4.31Å; L1409-I1417 HydrophobicContact CD2-CG1 4.18Å; L1409-I1441 HydrophobicContact CB-CG2 4.32Å; L1409-I1441 HydrophobicContact CD1-CG2 4.38Å; L1409-I1441 PolarHBondContact N-O 3.46Å; L1409-A1443 HydrophobicContact CD1-CB 4.17Å; L1409-A1443 HydrophobicContact CD2-CB 4.15Å; L1409-A1443 HydrophobicContact CG-CB 4.22Å |
| 1410 | I | 91.7 | Very high | 88.9 | Confident | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.1 | 177.6 | -60.8 | -175.2 | 0 | 0 | 0 | 109.3 | L1337 L1345 G1412 T1414 M1440 I1441 | L1337-I1410 HydrophobicContact CD1-CG2 4.1Å; L1337-I1410 HydrophobicContact CD2-CG2 3.97Å; L1345-I1410 HydrophobicContact CD1-CD1 3.67Å; L1345-I1410 HydrophobicContact CD1-CG1 4.34Å; L1345-I1410 HydrophobicContact CD2-CD1 3.9Å; L1345-I1410 HydrophobicContact CD2-CG1 4.13Å; L1345-I1410 HydrophobicContact CG-CD1 4.43Å; I1410-G1412 WeakPolarHBondContact CG2-O 3.24Å; I1410-T1414 WeakPolarHBondContact CA-O 3.42Å; I1410-M1440 CarbonylContact O-C 3.57Å; I1410-M1440 VanDerWaalsContact O-CA 3.3Å; I1410-M1440 WeakPolarHBondContact O-CA 3.25Å; I1410-I1441 HydrophobicContact CB-CB 4.18Å; I1410-I1441 HydrophobicContact CB-CD1 4.44Å; I1410-I1441 HydrophobicContact CD1-CD1 4.14Å; I1410-I1441 PolarHBondContact N-O 3.48Å; I1410-I1441 PolarHBondContact O-N 3Å |
| 1411 | I | 87.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.6 | 162.4 | -170.1 | 164 | 0 | 0 | 0 | 110.8 | N1413 T1414 L1416 I1428 I1438 M1440 | I1411-N1413 PolarHBondContact O-N 2.87Å; I1411-T1414 WeakPolarHBondContact CG2-OG1 3.17Å; I1411-T1414 PolarHBondContact N-O 3.4Å; I1411-T1414 PolarHBondContact O-N 2.95Å; I1411-T1414 PolarHBondContact O-OG1 2.72Å; I1411-L1416 HydrophobicContact CB-CD1 4.42Å; I1411-L1416 HydrophobicContact CG2-CD1 3.88Å; I1411-L1416 HydrophobicContact CG2-CD2 4.14Å; I1411-L1416 HydrophobicContact CG2-CG 4.14Å; I1411-I1428 HydrophobicContact CD1-CB 4.19Å; I1411-I1428 HydrophobicContact CD1-CG1 3.8Å; I1411-I1428 HydrophobicContact CD1-CG2 3.99Å; I1411-I1428 HydrophobicContact CG2-CG1 3.94Å; I1411-I1438 HydrophobicContact CD1-CD1 4.04Å; I1411-I1438 HydrophobicContact CD1-CG2 3.84Å; I1411-I1438 HydrophobicContact CG1-CG2 3.5Å; I1411-I1438 VanDerWaalsContact CG1-CG2 3.5Å; I1411-M1440 HydrophobicContact CB-CG 4.33Å; I1411-M1440 HydrophobicContact CD1-CE 4.35Å; I1411-M1440 HydrophobicContact CD1-CG 3.97Å; I1411-M1440 HydrophobicContact CD1-SD 4.22Å; I1411-M1440 HydrophobicContact CG1-CG 3.82Å |
| 1412 | G | 83.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -126.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1337 I1410 Q1439 | L1337-G1412 WeakPolarHBondContact CD1-O 3.46Å; L1337-G1412 WeakPolarHBondContact CD2-O 3.06Å; I1410-G1412 WeakPolarHBondContact CG2-O 3.24Å; G1412-Q1439 PolarHBondContact N-O 2.82Å |
| 1413 | N | 78.6 | Confident | 87.9 | Confident | 119 Ų | 119 | 36.8 Ų | 36.8 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 15 | 174.2 | 61.4 | -7 | 0 | 0 | 0 | 114 | P1335 I1411 Q1431 | P1335-N1413 HydrophobicContact CB-CB 4.13Å; P1335-N1413 HydrophobicContact CG-CB 4.09Å; I1411-N1413 PolarHBondContact O-N 2.87Å; N1413-Q1431 PolarHBondContact OD1-NE2 3.16Å |
| 1414 | T | 81.9 | Confident | 87.6 | Confident | 31 Ų | 31 | 30.2 Ų | 30.2 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.9 | -173.5 | 61 | 0 | 0 | 0 | 0 | 113.3 | I1410 I1411 | I1410-T1414 WeakPolarHBondContact CA-O 3.42Å; I1411-T1414 WeakPolarHBondContact CG2-OG1 3.17Å; I1411-T1414 PolarHBondContact N-O 3.4Å; I1411-T1414 PolarHBondContact O-N 2.95Å; I1411-T1414 PolarHBondContact O-OG1 2.72Å |
| 1415 | N | 86.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 31 Ų | 31 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 136.5 | 168.7 | -167.5 | -13.4 | 0 | 0 | 0 | 110 | E1348 L1409 I1417 K1427 | E1348-N1415 PolarHBondContact OE2-ND2 3.49Å; E1348-N1415 VanDerWaalsContact OE2-ND2 3.1Å; L1409-N1415 PolarHBondContact O-OD1 3.49Å; L1409-N1415 VanDerWaalsContact O-OD1 3.11Å; N1415-I1417 VanDerWaalsContact OD1-CB 3.32Å; N1415-I1417 WeakPolarHBondContact OD1-CB 3.32Å; N1415-I1417 VanDerWaalsContact OD1-CG1 3.29Å; N1415-I1417 WeakPolarHBondContact OD1-CG1 3.5Å; N1415-I1417 PolarHBondContact OD1-N 3.44Å; N1415-K1427 PolarHBondContact O-NZ 3.32Å |
| 1416 | L | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -112 | -7.4 | -179.8 | -61.8 | -170.2 | 0 | 0 | 0 | 113.1 | I1385 I1408 L1409 I1411 G1418 C1419 A1424 K1427 I1428 | I1385-L1416 HydrophobicContact CG1-CB 4.09Å; I1408-L1416 HydrophobicContact CB-CD1 4.11Å; I1408-L1416 HydrophobicContact CG2-CD1 3.7Å; L1409-L1416 PolarHBondContact O-N 2.8Å; I1411-L1416 HydrophobicContact CB-CD1 4.42Å; I1411-L1416 HydrophobicContact CG2-CD1 3.88Å; I1411-L1416 HydrophobicContact CG2-CD2 4.14Å; I1411-L1416 HydrophobicContact CG2-CG 4.14Å; L1416-G1418 PolarHBondContact O-N 2.74Å; L1416-C1419 VanDerWaalsContact O-CB 3.32Å; L1416-C1419 WeakPolarHBondContact O-CB 3.48Å; L1416-C1419 PolarHBondContact O-N 2.94Å; L1416-C1419 VanDerWaalsContact O-N 3.16Å; L1416-A1424 HydrophobicContact CD2-CB 4.42Å; L1416-K1427 HydrophobicContact CD2-CB 4.08Å; L1416-K1427 HydrophobicContact CD2-CD 3.58Å; L1416-I1428 HydrophobicContact CD1-CD1 4.28Å; L1416-I1428 HydrophobicContact CD1-CG1 4.31Å | ||
| 1417 | I | 88.2 | Confident | 86.3 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 133.6 | 171.3 | -55.5 | 167.5 | 0 | 0 | 0 | 108.3 | L1345 E1348 A1349 L1382 L1409 N1415 C1419 | L1345-I1417 HydrophobicContact CD2-CD1 4.1Å; E1348-I1417 HydrophobicContact CB-CD1 3.75Å; E1348-I1417 HydrophobicContact CB-CG2 4.46Å; A1349-I1417 HydrophobicContact CB-CD1 3.94Å; A1349-I1417 HydrophobicContact CB-CG1 4.36Å; L1382-I1417 HydrophobicContact CB-CG2 4.49Å; L1382-I1417 HydrophobicContact CD1-CG2 3.94Å; L1409-I1417 HydrophobicContact CB-CD1 4.44Å; L1409-I1417 HydrophobicContact CD2-CD1 4.31Å; L1409-I1417 HydrophobicContact CD2-CG1 4.18Å; N1415-I1417 VanDerWaalsContact OD1-CB 3.32Å; N1415-I1417 WeakPolarHBondContact OD1-CB 3.32Å; N1415-I1417 VanDerWaalsContact OD1-CG1 3.29Å; N1415-I1417 WeakPolarHBondContact OD1-CG1 3.5Å; N1415-I1417 PolarHBondContact OD1-N 3.44Å; I1417-C1419 PolarHBondContact O-N 2.88Å |
| 1418 | G | 86.9 | Confident | 85.8 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -3.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y1383 L1416 | Y1383-G1418 WeakPolarHBondContact O-CA 3.19Å; Y1383-G1418 PolarHBondContact O-N 2.72Å; L1416-G1418 PolarHBondContact O-N 2.74Å |
| 1419 | C | 84.7 | Confident | 84.9 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | trans | -78.2 | 145.2 | -176.3 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | L1416 I1417 A1424 K1427 | L1416-C1419 VanDerWaalsContact O-CB 3.32Å; L1416-C1419 WeakPolarHBondContact O-CB 3.48Å; L1416-C1419 PolarHBondContact O-N 2.94Å; L1416-C1419 VanDerWaalsContact O-N 3.16Å; I1417-C1419 PolarHBondContact O-N 2.88Å; C1419-A1424 HydrophobicContact CB-CB 4.5Å; C1419-K1427 PolarHBondContact SG-NZ 3.39Å | ||
| 1420 | A | 84.1 | Confident | 84 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | trans | -68.8 | 158.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1422 D1423 A1424 | A1420-S1422 VanDerWaalsContact C-N 3.35Å; A1420-S1422 PolarHBondContact O-N 3.14Å; A1420-D1423 HydrophobicContact CB-CB 4.49Å; A1420-D1423 PolarHBondContact O-N 3.26Å; A1420-A1424 WeakPolarHBondContact O-CB 3.42Å; A1420-A1424 PolarHBondContact O-N 3.18Å | ||
| 1421 | Q | 85.2 | Confident | 82.8 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | -177.9 | -164.5 | 172.7 | -9.4 | 0 | 0 | 112.4 | I1372 A1374 D1423 V1425 | I1372-Q1421 PolarHBondContact O-NE2 2.59Å; A1374-Q1421 HydrophobicContact CB-CB 3.7Å; A1374-Q1421 HydrophobicContact CB-CG 4.32Å; Q1421-D1423 VanDerWaalsContact C-N 3.32Å; Q1421-D1423 PolarHBondContact O-N 2.67Å; Q1421-V1425 WeakPolarHBondContact O-CB 3.4Å; Q1421-V1425 VanDerWaalsContact O-CG2 3.29Å; Q1421-V1425 WeakPolarHBondContact O-CG2 3.45Å; Q1421-V1425 PolarHBondContact O-N 3.24Å |
| 1422 | S | 81.6 | Confident | 81.7 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.9 | -49.7 | 172 | 47 | 0 | 0 | 0 | 0 | 111.7 | A1420 V1425 A1426 | A1420-S1422 VanDerWaalsContact C-N 3.35Å; A1420-S1422 PolarHBondContact O-N 3.14Å; S1422-V1425 PolarHBondContact O-N 2.98Å; S1422-A1426 WeakPolarHBondContact O-CB 3.3Å; S1422-A1426 PolarHBondContact O-N 3.22Å |
| 1423 | D | 84.4 | Confident | 80.6 | Confident | 82 Ų | 82 | 57.2 Ų | 57.2 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.6 | -35.5 | -170 | -55.4 | 3.7 | 0 | 0 | 0 | 110.4 | A1420 Q1421 A1426 K1427 | A1420-D1423 HydrophobicContact CB-CB 4.49Å; A1420-D1423 PolarHBondContact O-N 3.26Å; Q1421-D1423 VanDerWaalsContact C-N 3.32Å; Q1421-D1423 PolarHBondContact O-N 2.67Å; D1423-A1426 PolarHBondContact O-N 3.31Å; D1423-K1427 VanDerWaalsContact O-CB 3.31Å; D1423-K1427 WeakPolarHBondContact O-CB 3.49Å; D1423-K1427 VanDerWaalsContact O-CG 3.25Å; D1423-K1427 WeakPolarHBondContact O-CG 3.2Å; D1423-K1427 PolarHBondContact O-N 2.64Å |
| 1424 | A | 85.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1372 I1385 L1416 C1419 A1420 A1426 K1427 I1428 | I1372-A1424 HydrophobicContact CD1-CB 4.36Å; I1385-A1424 HydrophobicContact CD1-CB 3.47Å; I1385-A1424 VanDerWaalsContact CD1-CB 3.47Å; I1385-A1424 HydrophobicContact CG1-CB 3.62Å; I1385-A1424 HydrophobicContact CG2-CB 4.21Å; L1416-A1424 HydrophobicContact CD2-CB 4.42Å; C1419-A1424 HydrophobicContact CB-CB 4.5Å; A1420-A1424 WeakPolarHBondContact O-CB 3.42Å; A1420-A1424 PolarHBondContact O-N 3.18Å; A1424-A1426 VanDerWaalsContact C-N 3.32Å; A1424-A1426 PolarHBondContact O-N 3.26Å; A1424-K1427 PolarHBondContact O-N 2.77Å; A1424-I1428 WeakPolarHBondContact O-CB 3.37Å; A1424-I1428 WeakPolarHBondContact O-CD1 3.26Å; A1424-I1428 WeakPolarHBondContact O-CG1 3.35Å; A1424-I1428 PolarHBondContact O-N 3.04Å |
| 1425 | V | 85.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 111 | I1372 Q1421 S1422 S1429 | I1372-V1425 HydrophobicContact CD1-CG2 3.85Å; I1372-V1425 HydrophobicContact CG1-CG2 4.29Å; Q1421-V1425 WeakPolarHBondContact O-CB 3.4Å; Q1421-V1425 VanDerWaalsContact O-CG2 3.29Å; Q1421-V1425 WeakPolarHBondContact O-CG2 3.45Å; Q1421-V1425 PolarHBondContact O-N 3.24Å; S1422-V1425 PolarHBondContact O-N 2.98Å; V1425-S1429 WeakPolarHBondContact O-CB 3.45Å; V1425-S1429 PolarHBondContact O-N 2.97Å |
| 1426 | A | 81.9 | Confident | 77.6 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 31% | 0.314 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1422 D1423 A1424 S1429 K1430 | S1422-A1426 WeakPolarHBondContact O-CB 3.3Å; S1422-A1426 PolarHBondContact O-N 3.22Å; D1423-A1426 PolarHBondContact O-N 3.31Å; A1424-A1426 VanDerWaalsContact C-N 3.32Å; A1424-A1426 PolarHBondContact O-N 3.26Å; A1426-S1429 PolarHBondContact O-N 3.05Å; A1426-K1430 WeakPolarHBondContact O-CB 3.45Å; A1426-K1430 PolarHBondContact O-N 2.96Å |
| 1427 | K | 83.4 | Confident | 76.9 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 30% | 0.3 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 174.1 | -78.1 | 173.2 | 173.6 | -178.2 | 0 | 111.5 | N1415 L1416 C1419 D1423 A1424 S1429 K1430 Q1431 | N1415-K1427 PolarHBondContact O-NZ 3.32Å; L1416-K1427 HydrophobicContact CD2-CB 4.08Å; L1416-K1427 HydrophobicContact CD2-CD 3.58Å; C1419-K1427 PolarHBondContact SG-NZ 3.39Å; D1423-K1427 VanDerWaalsContact O-CB 3.31Å; D1423-K1427 WeakPolarHBondContact O-CB 3.49Å; D1423-K1427 VanDerWaalsContact O-CG 3.25Å; D1423-K1427 WeakPolarHBondContact O-CG 3.2Å; D1423-K1427 PolarHBondContact O-N 2.64Å; A1424-K1427 PolarHBondContact O-N 2.77Å; K1427-S1429 PolarHBondContact O-N 2.95Å; K1427-K1430 PolarHBondContact O-N 2.95Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.44Å; K1427-Q1431 PolarHBondContact O-N 3.14Å |
| 1428 | I | 82.5 | Confident | 76.7 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 176.3 | -68.3 | 162.5 | 0 | 0 | 0 | 109.8 | L1368 I1372 I1411 L1416 A1424 K1430 Q1431 N1432 | L1368-I1428 HydrophobicContact CD1-CG2 3.95Å; I1372-I1428 HydrophobicContact CD1-CD1 3.52Å; I1411-I1428 HydrophobicContact CD1-CB 4.19Å; I1411-I1428 HydrophobicContact CD1-CG1 3.8Å; I1411-I1428 HydrophobicContact CD1-CG2 3.99Å; I1411-I1428 HydrophobicContact CG2-CG1 3.94Å; L1416-I1428 HydrophobicContact CD1-CD1 4.28Å; L1416-I1428 HydrophobicContact CD1-CG1 4.31Å; A1424-I1428 WeakPolarHBondContact O-CB 3.37Å; A1424-I1428 WeakPolarHBondContact O-CD1 3.26Å; A1424-I1428 WeakPolarHBondContact O-CG1 3.35Å; A1424-I1428 PolarHBondContact O-N 3.04Å; I1428-K1430 PolarHBondContact O-N 3.35Å; I1428-Q1431 PolarHBondContact O-N 3.32Å; I1428-N1432 VanDerWaalsContact O-CB 3.22Å; I1428-N1432 WeakPolarHBondContact O-CB 3.28Å; I1428-N1432 PolarHBondContact O-N 3.37Å |
| 1429 | S | 76.2 | Confident | 76.6 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 178.9 | -173.7 | 0 | 0 | 0 | 0 | 113.1 | V1425 A1426 K1427 N1432 | V1425-S1429 WeakPolarHBondContact O-CB 3.45Å; V1425-S1429 PolarHBondContact O-N 2.97Å; A1426-S1429 PolarHBondContact O-N 3.05Å; K1427-S1429 PolarHBondContact O-N 2.95Å; S1429-N1432 PolarHBondContact O-N 2.94Å |
| 1430 | K | 72.7 | Confident | 76.9 | Confident | 165 Ų | 165 | 57.5 Ų | 57.5 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | 176.1 | -172.3 | 172.2 | -180 | 174.7 | 0 | 112.2 | A1426 K1427 I1428 | A1426-K1430 WeakPolarHBondContact O-CB 3.45Å; A1426-K1430 PolarHBondContact O-N 2.96Å; K1427-K1430 PolarHBondContact O-N 2.95Å; I1428-K1430 PolarHBondContact O-N 3.35Å |
| 1431 | Q | 68.5 | Low | 77.3 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.4 | -34 | 173.5 | -63.8 | -69.1 | -8.7 | 0 | 0 | 112.1 | N1413 K1427 I1428 K1433 S1434 I1438 | N1413-Q1431 PolarHBondContact OD1-NE2 3.16Å; K1427-Q1431 WeakPolarHBondContact O-CG 3.44Å; K1427-Q1431 PolarHBondContact O-N 3.14Å; I1428-Q1431 PolarHBondContact O-N 3.32Å; Q1431-K1433 PolarHBondContact O-N 3.38Å; Q1431-S1434 PolarHBondContact O-N 3.12Å; Q1431-S1434 PolarHBondContact O-OG 3.27Å; Q1431-I1438 HydrophobicContact CB-CG2 4.14Å |
| 1432 | N | 63.9 | Low | 77.7 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 13.7 | -179.6 | -162.3 | 21 | 0 | 0 | 0 | 114.5 | K1363 I1428 S1429 I1438 | K1363-N1432 VanDerWaalsContact CE-O 3.25Å; K1363-N1432 WeakPolarHBondContact CE-O 3.45Å; K1363-N1432 VanDerWaalsContact CE-OD1 3.28Å; K1363-N1432 WeakPolarHBondContact CE-OD1 3.5Å; K1363-N1432 PolarHBondContact NZ-O 2.86Å; I1428-N1432 VanDerWaalsContact O-CB 3.22Å; I1428-N1432 WeakPolarHBondContact O-CB 3.28Å; I1428-N1432 PolarHBondContact O-N 3.37Å; S1429-N1432 PolarHBondContact O-N 2.94Å; N1432-I1438 HydrophobicContact CB-CD1 3.65Å |
| 1433 | K | 60.3 | Low | 78.3 | Confident | 162 Ų | 162 | 48.3 Ų | 48.3 | 70% | 0.704 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -26.8 | 173 | -70.1 | -169.6 | 175.1 | -171.3 | 0 | 113.6 | Q1431 | Q1431-K1433 PolarHBondContact O-N 3.38Š|
| 1434 | S | 59.4 | Low | 78.7 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -72.8 | 126.7 | 175.5 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | K1363 Q1431 D1436 G1437 | K1363-S1434 WeakPolarHBondContact CE-O 3.28Å; K1363-S1434 PolarHBondContact NZ-O 3.15Å; Q1431-S1434 PolarHBondContact O-N 3.12Å; Q1431-S1434 PolarHBondContact O-OG 3.27Å; S1434-D1436 PolarHBondContact O-N 3.45Å; S1434-G1437 PolarHBondContact OG-O 3.43Å |
| 1435 | D | 59.5 | Low | 78.9 | Confident | 112 Ų | 112 | 53.3 Ų | 53.3 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.4 | -172.7 | -81.4 | -20.2 | 0 | 0 | 0 | 115.4 | K1363 G1437 | K1363-D1435 IonicContact NZ-OD1 2.73Å; K1363-D1435 PolarHBondContact NZ-OD1 2.88Å; D1435-G1437 VanDerWaalsContact C-N 3.32Å; D1435-G1437 PolarHBondContact O-N 3.19Å |
| 1436 | D | 64.2 | Low | 79.2 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.4 | -180 | -61.3 | -63.8 | 0 | 0 | 0 | 113.9 | F1360 K1362 S1434 | F1360-D1436 WeakPolarHBondContact CZ-O 3.32Å; K1362-D1436 WeakPolarHBondContact CG-O 3.41Å; S1434-D1436 PolarHBondContact O-N 3.45Å |
| 1437 | G | 76.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | 139.8 | -166.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1361 S1434 D1435 | L1361-G1437 CarbonylContact O-C 3.55Å; L1361-G1437 WeakPolarHBondContact O-CA 3.38Å; S1434-G1437 PolarHBondContact OG-O 3.43Å; D1435-G1437 VanDerWaalsContact C-N 3.32Å; D1435-G1437 PolarHBondContact O-N 3.19Å | ||
| 1438 | I | 84.3 | Confident | 79.7 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140.4 | 176 | -35.9 | 175.7 | 0 | 0 | 0 | 111 | F1360 L1361 L1368 I1411 Q1431 N1432 | F1360-I1438 WeakPolarHBondContact CA-O 3.48Å; F1360-I1438 WeakPolarHBondContact CD2-O 3.38Å; L1361-I1438 PolarHBondContact N-O 3.31Å; L1361-I1438 PolarHBondContact O-N 2.89Å; L1368-I1438 HydrophobicContact CD1-CD1 3.81Å; L1368-I1438 HydrophobicContact CD2-CD1 3.82Å; L1368-I1438 HydrophobicContact CD2-CG1 4.23Å; L1368-I1438 HydrophobicContact CG-CD1 4.36Å; I1411-I1438 HydrophobicContact CD1-CD1 4.04Å; I1411-I1438 HydrophobicContact CD1-CG2 3.84Å; I1411-I1438 HydrophobicContact CG1-CG2 3.5Å; I1411-I1438 VanDerWaalsContact CG1-CG2 3.5Å; Q1431-I1438 HydrophobicContact CB-CG2 4.14Å; N1432-I1438 HydrophobicContact CB-CD1 3.65Å |
| 1439 | Q | 85.8 | Confident | 79.9 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.4 | 171.4 | -153.6 | -177.3 | 60.2 | 0 | 0 | 111.2 | L1334 P1335 L1337 Q1358 F1360 G1412 | L1334-Q1439 HydrophobicContact CD2-CB 4.26Å; P1335-Q1439 PolarHBondContact O-OE1 3.2Å; L1337-Q1439 HydrophobicContact CD1-CB 4.45Å; L1337-Q1439 HydrophobicContact CD1-CG 4.3Å; Q1358-Q1439 HydrophobicContact CG-CG 4.32Å; Q1358-Q1439 VanDerWaalsContact NE2-NE2 3.17Å; F1360-Q1439 HydrophobicContact CB-CG 4.5Å; F1360-Q1439 HydrophobicContact CD2-CB 4.4Å; G1412-Q1439 PolarHBondContact N-O 2.82Å |
| 1440 | M | 90.7 | Very high | 80.5 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.5 | -172.8 | -62.8 | 170.2 | 73.9 | 0 | 0 | 110.5 | Q1358 I1359 I1408 I1410 I1411 I1442 | Q1358-M1440 WeakPolarHBondContact CA-O 3.4Å; I1359-M1440 PolarHBondContact N-O 3.24Å; I1359-M1440 PolarHBondContact O-N 2.9Å; I1408-M1440 HydrophobicContact CB-CE 4.31Å; I1408-M1440 HydrophobicContact CD1-CE 3.51Å; I1408-M1440 HydrophobicContact CG1-CE 3.69Å; I1408-M1440 HydrophobicContact CG2-CE 3.61Å; I1410-M1440 CarbonylContact O-C 3.57Å; I1410-M1440 VanDerWaalsContact O-CA 3.3Å; I1410-M1440 WeakPolarHBondContact O-CA 3.25Å; I1411-M1440 HydrophobicContact CB-CG 4.33Å; I1411-M1440 HydrophobicContact CD1-CE 4.35Å; I1411-M1440 HydrophobicContact CD1-CG 3.97Å; I1411-M1440 HydrophobicContact CD1-SD 4.22Å; I1411-M1440 HydrophobicContact CG1-CG 3.82Å; M1440-I1442 HydrophobicContact CB-CD1 3.67Å; M1440-I1442 HydrophobicContact CB-CG1 4.24Å; M1440-I1442 HydrophobicContact CE-CD1 4.16Å; M1440-I1442 HydrophobicContact SD-CD1 4.48Å |
| 1441 | I | 92.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129 | 165.2 | -69.1 | 163.2 | 0 | 0 | 0 | 108.5 | L1337 A1340 F1342 L1345 I1356 T1357 Q1358 L1409 I1410 | L1337-I1441 HydrophobicContact CB-CD1 3.89Å; L1337-I1441 HydrophobicContact CB-CG1 4.43Å; L1337-I1441 HydrophobicContact CD1-CD1 3.94Å; L1337-I1441 HydrophobicContact CD1-CG1 4Å; L1337-I1441 HydrophobicContact CD2-CD1 4.17Å; L1337-I1441 HydrophobicContact CG-CD1 4.23Å; A1340-I1441 HydrophobicContact CB-CD1 3.38Å; F1342-I1441 HydrophobicContact CD1-CG2 4.39Å; F1342-I1441 HydrophobicContact CE1-CD1 3.8Å; F1342-I1441 HydrophobicContact CE1-CG1 4.11Å; F1342-I1441 HydrophobicContact CE1-CG2 4.2Å; L1345-I1441 HydrophobicContact CD1-CD1 4.34Å; L1345-I1441 HydrophobicContact CD1-CG2 4.5Å; I1356-I1441 HydrophobicContact CG2-CG2 3.33Å; T1357-I1441 WeakPolarHBondContact O-CA 3.23Å; Q1358-I1441 HydrophobicContact CB-CG1 4.4Å; Q1358-I1441 HydrophobicContact CG-CG1 4.32Å; L1409-I1441 HydrophobicContact CB-CG2 4.32Å; L1409-I1441 HydrophobicContact CD1-CG2 4.38Å; L1409-I1441 PolarHBondContact N-O 3.46Å; I1410-I1441 HydrophobicContact CB-CB 4.18Å; I1410-I1441 HydrophobicContact CB-CD1 4.44Å; I1410-I1441 HydrophobicContact CD1-CD1 4.14Å; I1410-I1441 PolarHBondContact N-O 3.48Å; I1410-I1441 PolarHBondContact O-N 3Å |
| 1442 | I | 93.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.2 | -167.4 | -71.7 | 141.7 | 0 | 0 | 0 | 110.7 | I1356 T1357 I1359 L1402 D1406 Q1407 I1408 M1440 | I1356-I1442 WeakPolarHBondContact CA-O 3.49Å; T1357-I1442 PolarHBondContact N-O 3.26Å; T1357-I1442 PolarHBondContact O-N 3.25Å; T1357-I1442 PolarHBondContact OG1-O 2.95Å; I1359-I1442 HydrophobicContact CB-CD1 4.09Å; I1359-I1442 HydrophobicContact CD1-CD1 4.1Å; I1359-I1442 HydrophobicContact CG1-CD1 4.47Å; L1402-I1442 HydrophobicContact CD2-CD1 3.51Å; D1406-I1442 HydrophobicContact CB-CG2 3.73Å; Q1407-I1442 CarbonylContact O-C 3.59Å; Q1407-I1442 VanDerWaalsContact O-CA 3.23Å; Q1407-I1442 WeakPolarHBondContact O-CA 3.32Å; I1408-I1442 HydrophobicContact CG1-CG1 4.35Å; I1408-I1442 HydrophobicContact CG2-CG1 4.42Å; M1440-I1442 HydrophobicContact CB-CD1 3.67Å; M1440-I1442 HydrophobicContact CB-CG1 4.24Å; M1440-I1442 HydrophobicContact CE-CD1 4.16Å; M1440-I1442 HydrophobicContact SD-CD1 4.48Å |
| 1443 | A | 93.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1351 I1356 Q1407 L1409 A1446 | V1351-A1443 HydrophobicContact CG1-CB 4.41Å; V1351-A1443 HydrophobicContact CG2-CB 3.93Å; I1356-A1443 HydrophobicContact CG1-CB 4.38Å; Q1407-A1443 HydrophobicContact CB-CB 4.43Å; Q1407-A1443 PolarHBondContact N-O 2.79Å; Q1407-A1443 PolarHBondContact O-N 2.65Å; L1409-A1443 HydrophobicContact CD1-CB 4.17Å; L1409-A1443 HydrophobicContact CD2-CB 4.15Å; L1409-A1443 HydrophobicContact CG-CB 4.22Å; A1443-A1446 HydrophobicContact CB-CB 3.94Å; A1443-A1446 PolarHBondContact O-N 3.32Å |
| 1444 | K | 93.3 | Very high | 83.9 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 132.1 | -178.9 | -66.2 | -72.5 | 145.4 | -165.1 | 0 | 111.3 | S1355 T1357 R1401 D1406 A1446 | S1355-K1444 WeakPolarHBondContact O-CB 3.28Å; S1355-K1444 WeakPolarHBondContact O-CG 3.24Å; S1355-K1444 PolarHBondContact O-N 2.93Å; T1357-K1444 HydrophobicContact CG2-CG 3.97Å; T1357-K1444 WeakPolarHBondContact OG1-CE 3.12Å; R1401-K1444 PolarHBondContact O-NZ 2.7Å; D1406-K1444 VanDerWaalsContact OD1-CA 3.3Å; D1406-K1444 WeakPolarHBondContact OD1-CA 3.22Å; D1406-K1444 IonicContact OD2-NZ 2.9Å; D1406-K1444 PolarHBondContact OD2-NZ 2.74Å; K1444-A1446 PolarHBondContact O-N 3.31Å; K1444-A1446 VanDerWaalsContact O-N 3.15Å |
| 1445 | K | 89.3 | Confident | 84.8 | Confident | 138 Ų | 138 | 60.5 Ų | 60.5 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 25.1 | -179.5 | -51.3 | 178.4 | 175.5 | -174.8 | 0 | 114.7 | G1405 D1406 A1447 Q1448 Y1449 | G1405-K1445 CarbonylContact O-C 3.57Å; D1406-K1445 PolarHBondContact OD1-N 2.58Å; K1445-A1447 VanDerWaalsContact C-N 3.28Å; K1445-A1447 PolarHBondContact O-N 3.34Å; K1445-Q1448 HydrophobicContact CB-CB 4.21Å; K1445-Q1448 WeakPolarHBondContact O-CA 3.46Å; K1445-Q1448 VanDerWaalsContact O-CB 3.26Å; K1445-Q1448 WeakPolarHBondContact O-CB 3.22Å; K1445-Q1448 PolarHBondContact O-N 3.19Å; K1445-Y1449 PolarHBondContact O-N 2.72Å |
| 1446 | A | 90.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.9 | -42.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1351 Y1386 G1405 Q1407 A1443 K1444 Q1448 Y1449 H1450 | V1351-A1446 HydrophobicContact CG1-CB 4.14Å; Y1386-A1446 HydrophobicContact CD1-CB 4.39Å; Y1386-A1446 HydrophobicContact CE1-CB 3.96Å; G1405-A1446 PolarHBondContact O-N 3.23Å; Q1407-A1446 HydrophobicContact CB-CB 3.38Å; A1443-A1446 HydrophobicContact CB-CB 3.94Å; A1443-A1446 PolarHBondContact O-N 3.32Å; K1444-A1446 PolarHBondContact O-N 3.31Å; K1444-A1446 VanDerWaalsContact O-N 3.15Å; A1446-Q1448 PolarHBondContact O-N 3.48Å; A1446-Q1448 VanDerWaalsContact O-N 3.09Å; A1446-Y1449 WeakPolarHBondContact O-CA 3.1Å; A1446-Y1449 WeakPolarHBondContact O-CB 3.43Å; A1446-Y1449 PolarHBondContact O-N 2.82Å; A1446-H1450 PolarHBondContact O-N 3.41Å; A1446-H1450 PolarHBondContact O-ND1 2.73Å; A1446-H1450 VanDerWaalsContact O-ND1 3.08Å |
| 1447 | A | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.1 | -30.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1386 G1405 K1445 K1451 I1452 V1453 I1456 | Y1386-A1447 HydrophobicContact CD1-CB 3.86Å; Y1386-A1447 HydrophobicContact CE1-CB 4.26Å; G1405-A1447 VanDerWaalsContact O-CB 3.27Å; G1405-A1447 WeakPolarHBondContact O-CB 3.46Å; G1405-A1447 PolarHBondContact O-N 2.9Å; K1445-A1447 VanDerWaalsContact C-N 3.28Å; K1445-A1447 PolarHBondContact O-N 3.34Å; A1447-K1451 PolarHBondContact O-N 3.29Å; A1447-K1451 VanDerWaalsContact O-N 3.14Å; A1447-I1452 HydrophobicContact CB-CG1 4.11Å; A1447-I1452 PolarHBondContact O-N 2.9Å; A1447-V1453 VanDerWaalsContact C-CG2 3.47Å; A1447-V1453 HydrophobicContact CB-CG2 3.95Å; A1447-V1453 WeakPolarHBondContact O-CG2 3.2Å; A1447-V1453 PolarHBondContact O-N 2.81Å; A1447-I1456 HydrophobicContact CB-CD1 3.69Å |
| 1448 | Q | 86.8 | Confident | 85.1 | Confident | 125 Ų | 125 | 61 Ų | 61 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -76.1 | -37.7 | 175.7 | -166.1 | 179.9 | 4.1 | 0 | 0 | 111.6 | K1445 A1446 H1450 K1451 V1453 | K1445-Q1448 HydrophobicContact CB-CB 4.21Å; K1445-Q1448 WeakPolarHBondContact O-CA 3.46Å; K1445-Q1448 VanDerWaalsContact O-CB 3.26Å; K1445-Q1448 WeakPolarHBondContact O-CB 3.22Å; K1445-Q1448 PolarHBondContact O-N 3.19Å; A1446-Q1448 PolarHBondContact O-N 3.48Å; A1446-Q1448 VanDerWaalsContact O-N 3.09Å; Q1448-H1450 VanDerWaalsContact C-N 3.35Å; Q1448-K1451 PolarHBondContact O-N 3.24Å; Q1448-V1453 VanDerWaalsContact CA-CG2 3.42Å; Q1448-V1453 HydrophobicContact CB-CG2 3.75Å; Q1448-V1453 HydrophobicContact CG-CG2 4.3Å |
| 1449 | Y | 86.2 | Confident | 82.7 | Confident | 126 Ų | 126 | 71.3 Ų | 71.3 | 49% | 0.494 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 172.2 | -171.7 | -98.5 | 0 | 0 | 0 | 111.2 | N1350 V1351 P1352 K1445 A1446 K1451 | N1350-Y1449 VanDerWaalsContact O-CD1 3.32Å; N1350-Y1449 WeakPolarHBondContact O-CD1 3.37Å; N1350-Y1449 WeakPolarHBondContact O-CE1 2.92Å; V1351-Y1449 HydrophobicContact CG1-CD1 4.21Å; P1352-Y1449 HydrophobicContact CG-CD2 4.06Å; P1352-Y1449 HydrophobicContact CG-CE2 3.7Å; K1445-Y1449 PolarHBondContact O-N 2.72Å; A1446-Y1449 WeakPolarHBondContact O-CA 3.1Å; A1446-Y1449 WeakPolarHBondContact O-CB 3.43Å; A1446-Y1449 PolarHBondContact O-N 2.82Å; Y1449-K1451 VanDerWaalsContact C-N 3.27Å; Y1449-K1451 PolarHBondContact O-N 2.76Å |
| 1450 | H | 89.7 | Confident | 79.9 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 4.5 | 177.7 | -57.7 | 129.5 | 0 | 0 | 0 | 114.6 | A1349 N1350 V1351 A1377 H1380 Y1386 Q1407 A1446 Q1448 I1452 | A1349-H1450 PolarHBondContact O-CE1 2.91Å; A1349-H1450 PolarHBondContact O-NE2 3.41Å; N1350-H1450 PolarHBondContact O-NE2 3.48Å; V1351-H1450 WeakPolarHBondContact CG1-CE1 3.27Å; A1377-H1450 HydrophobicContact CB-CB 4.07Å; A1377-H1450 WeakPolarHBondContact CB-O 3.39Å; H1380-H1450 AromaticContact CE1-CD2 3.37Å; H1380-H1450 PolarHBondContact CE1-CD2 2.81Å; H1380-H1450 AromaticContact CE1-NE2 3.73Å; H1380-H1450 AromaticContact NE2-CD2 3.94Å; Y1386-H1450 AromaticContact CE1-ND1 3.75Å; Y1386-H1450 AromaticContact CZ-ND1 3.83Å; Y1386-H1450 PolarHBondContact OH-ND1 3.03Å; Q1407-H1450 PolarHBondContact OE1-CE1 3.43Å; A1446-H1450 PolarHBondContact O-N 3.41Å; A1446-H1450 PolarHBondContact O-ND1 2.73Å; A1446-H1450 VanDerWaalsContact O-ND1 3.08Å; Q1448-H1450 VanDerWaalsContact C-N 3.35Å; H1450-I1452 HydrophobicContact CB-CD1 4.2Å; H1450-I1452 HydrophobicContact CB-CG1 4.04Å; H1450-I1452 PolarHBondContact O-N 2.91Å; H1450-I1452 VanDerWaalsContact O-N 3.16Å |
| 1451 | K | 85.2 | Confident | 76.8 | Confident | 194 Ų | 194 | 80.3 Ų | 80.3 | 84% | 0.843 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 18.6 | -179.8 | -56.6 | -177.5 | -179.7 | 178.3 | 0 | 116.5 | A1447 Q1448 Y1449 | A1447-K1451 PolarHBondContact O-N 3.29Å; A1447-K1451 VanDerWaalsContact O-N 3.14Å; Q1448-K1451 PolarHBondContact O-N 3.24Å; Y1449-K1451 VanDerWaalsContact C-N 3.27Å; Y1449-K1451 PolarHBondContact O-N 2.76Å |
| 1452 | I | 88.2 | Confident | 73.6 | Confident | 8 Ų | 8 | 86 Ų | 86 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | trans | -102.3 | 12.6 | -176.8 | 57.7 | 176.8 | 0 | 0 | 0 | 114.4 | A1375 A1377 Y1386 A1447 H1450 E1454 L1455 I1456 | A1375-I1452 HydrophobicContact CB-CD1 3.85Å; A1377-I1452 HydrophobicContact CB-CG2 4Å; Y1386-I1452 HydrophobicContact CD2-CD1 4.28Å; Y1386-I1452 HydrophobicContact CE1-CD1 4.15Å; Y1386-I1452 HydrophobicContact CE2-CD1 3.71Å; A1447-I1452 HydrophobicContact CB-CG1 4.11Å; A1447-I1452 PolarHBondContact O-N 2.9Å; H1450-I1452 HydrophobicContact CB-CD1 4.2Å; H1450-I1452 HydrophobicContact CB-CG1 4.04Å; H1450-I1452 PolarHBondContact O-N 2.91Å; H1450-I1452 VanDerWaalsContact O-N 3.16Å; I1452-E1454 VanDerWaalsContact C-N 3.26Å; I1452-E1454 PolarHBondContact O-N 3.45Å; I1452-L1455 HydrophobicContact CB-CD1 4.3Å; I1452-L1455 HydrophobicContact CG2-CD1 4.01Å; I1452-L1455 PolarHBondContact O-N 3.29Å; I1452-L1455 VanDerWaalsContact O-N 3.15Å; I1452-I1456 HydrophobicContact CB-CD1 4.48Å; I1452-I1456 HydrophobicContact CD1-CD1 3.87Å; I1452-I1456 HydrophobicContact CG1-CD1 3.84Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.47Å; I1452-I1456 PolarHBondContact O-N 3.46Å; I1452-I1456 VanDerWaalsContact O-N 3.12Å | ||
| 1453 | V | 84.5 | Confident | 70 | Confident | 35 Ų | 35 | 93.8 Ų | 93.8 | 21% | 0.212 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.4 | -38.8 | 178.9 | 177 | 0 | 0 | 0 | 0 | 112.4 | A1447 Q1448 L1455 I1456 K1457 | A1447-V1453 VanDerWaalsContact C-CG2 3.47Å; A1447-V1453 HydrophobicContact CB-CG2 3.95Å; A1447-V1453 WeakPolarHBondContact O-CG2 3.2Å; A1447-V1453 PolarHBondContact O-N 2.81Å; Q1448-V1453 VanDerWaalsContact CA-CG2 3.42Å; Q1448-V1453 HydrophobicContact CB-CG2 3.75Å; Q1448-V1453 HydrophobicContact CG-CG2 4.3Å; V1453-L1455 VanDerWaalsContact C-N 3.34Å; V1453-I1456 PolarHBondContact O-N 2.9Å; V1453-K1457 HydrophobicContact CG1-CD 3.78Å; V1453-K1457 HydrophobicContact CG1-CG 4.08Å; V1453-K1457 WeakPolarHBondContact O-CB 3.4Å; V1453-K1457 WeakPolarHBondContact O-CG 3.14Å; V1453-K1457 PolarHBondContact O-N 3.31Å |
| 1454 | E | 77 | Confident | 66.6 | Low | 181 Ų | 181 | 98.5 Ų | 98.5 | 85% | 0.846 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -74.5 | -24.5 | -178.2 | -63.8 | -177.9 | 174.5 | 0 | 0 | 112.9 | I1452 | I1452-E1454 VanDerWaalsContact C-N 3.26Å; I1452-E1454 PolarHBondContact O-N 3.45Å |
| 1455 | L | 78.6 | Confident | 63.1 | Low | 147 Ų | 147 | 104.1 Ų | 104.1 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -77.7 | -29 | 171 | -62.2 | 175.2 | 0 | 0 | 0 | 112.2 | I1452 V1453 | I1452-L1455 HydrophobicContact CB-CD1 4.3Å; I1452-L1455 HydrophobicContact CG2-CD1 4.01Å; I1452-L1455 PolarHBondContact O-N 3.29Å; I1452-L1455 VanDerWaalsContact O-N 3.15Å; V1453-L1455 VanDerWaalsContact C-N 3.34Å |
| 1456 | I | 81.7 | Confident | 59.9 | Low | 6 Ų | 6 | 104.1 Ų | 104.1 | 3% | 0.031 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -87.6 | -39.2 | -177.1 | -69.3 | 169.3 | 0 | 0 | 0 | 111.6 | V1373 A1375 Y1386 K1388 A1447 I1452 V1453 S1458 | V1373-I1456 HydrophobicContact CG1-CD1 4.44Å; V1373-I1456 HydrophobicContact CG1-CG1 3.98Å; V1373-I1456 HydrophobicContact CG1-CG2 4.04Å; A1375-I1456 HydrophobicContact CB-CD1 4.2Å; A1375-I1456 HydrophobicContact CB-CG1 4.35Å; Y1386-I1456 HydrophobicContact CD1-CD1 4.21Å; Y1386-I1456 HydrophobicContact CD2-CD1 3.97Å; Y1386-I1456 HydrophobicContact CG-CD1 3.71Å; K1388-I1456 HydrophobicContact CB-CG2 4.44Å; K1388-I1456 HydrophobicContact CG-CG2 4.4Å; A1447-I1456 HydrophobicContact CB-CD1 3.69Å; I1452-I1456 HydrophobicContact CB-CD1 4.48Å; I1452-I1456 HydrophobicContact CD1-CD1 3.87Å; I1452-I1456 HydrophobicContact CG1-CD1 3.84Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.47Å; I1452-I1456 PolarHBondContact O-N 3.46Å; I1452-I1456 VanDerWaalsContact O-N 3.12Å; V1453-I1456 PolarHBondContact O-N 2.9Å; I1456-S1458 PolarHBondContact O-N 2.95Å |
| 1457 | K | 71.3 | Confident | 56.6 | Low | 129 Ų | 129 | 110.5 Ų | 110.5 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -67.8 | 128.2 | 172.8 | -74.7 | -178.5 | 178 | 179 | 0 | 110 | V1453 R1459 | V1453-K1457 HydrophobicContact CG1-CD 3.78Å; V1453-K1457 HydrophobicContact CG1-CG 4.08Å; V1453-K1457 WeakPolarHBondContact O-CB 3.4Å; V1453-K1457 WeakPolarHBondContact O-CG 3.14Å; V1453-K1457 PolarHBondContact O-N 3.31Å; K1457-R1459 PolarHBondContact O-N 3.25Å |
| 1458 | S | 53.2 | Low | 53.3 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | trans | -61.2 | 120.7 | 167.4 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | I1456 T1460 | I1456-S1458 PolarHBondContact O-N 2.95Å; S1458-T1460 PolarHBondContact O-N 2.94Å | ||
| 1459 | R | 34.3 | Very low | 50.2 | Low | 221 Ų | 221 | 118 Ų | 118 | 83% | 0.834 | 61% | 0.606 | S | S | * | * | trans | -54.7 | 104.2 | 170.9 | 173.9 | -179.4 | 165.8 | -167.7 | -5 | 109.6 | K1457 T1461 | K1457-R1459 PolarHBondContact O-N 3.25Å; R1459-T1461 HydrophobicContact CG-CG2 4.4Å; R1459-T1461 PolarHBondContact O-N 2.97Å; R1459-T1461 VanDerWaalsContact O-N 3.1Å | ||
| 1460 | T | 28 | Very low | 47.3 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | trans | -68.8 | 103.4 | 167.8 | 47.3 | 0 | 0 | 0 | 0 | 108.2 | S1458 T1462 | S1458-T1460 PolarHBondContact O-N 2.94Å; T1460-T1462 PolarHBondContact O-N 2.82Å | ||
| 1461 | T | 25.1 | Very low | 44.1 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 66% | 0.656 | 64% | 0.644 | S | S | * | * | trans | -72.4 | 79.5 | 167.9 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | R1459 | R1459-T1461 HydrophobicContact CG-CG2 4.4Å; R1459-T1461 PolarHBondContact O-N 2.97Å; R1459-T1461 VanDerWaalsContact O-N 3.1Å | ||
| 1462 | T | 24.3 | Very low | 41 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 74% | 0.736 | 63% | 0.633 | S | S | * | * | trans | -52.4 | 140.7 | 148.7 | 48 | 0 | 0 | 0 | 0 | 108.7 | T1460 S1464 | T1460-T1462 PolarHBondContact O-N 2.82Å; T1462-S1464 PolarHBondContact O-N 2.87Å | ||
| 1463 | N | 20.1 | Very low | 38 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 87% | 0.866 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -55.2 | 121.9 | 178.8 | -76.1 | -16.6 | 0 | 0 | 0 | 111.6 | ||
| 1464 | S | 21.4 | Very low | 35.1 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -159.3 | 133.7 | 142.8 | -160 | 0 | 0 | 0 | 0 | 111 | T1462 | T1462-S1464 PolarHBondContact O-N 2.87Š| ||
| 1465 | M | 20.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 134 Ų | 134 | 82% | 0.823 | 69% | 0.686 | S | S | * | * | trans | 53.6 | 90.7 | 162.6 | -66.1 | 175.9 | 168.5 | 0 | 0 | 117.9 | ||||
| 1466 | N | 20.9 | Very low | 29.7 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | -166.9 | 135.8 | 90.7 | -92.5 | -17.9 | 0 | 0 | 0 | 112.9 | |||||
| 1467 | N | 20.6 | Very low | 26.8 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 72% | 0.717 | S | S | * | * | trans | 52.1 | 121.2 | 144.3 | -53.1 | -8.4 | 0 | 0 | 0 | 118.1 | ||||
| 1468 | N | 22.4 | Very low | 24.5 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | cis | -154.4 | 142.2 | 22.8 | -93.1 | -20.7 | 0 | 0 | 0 | 109.9 | ||||
| 1469 | M | 21.3 | Very low | 23.1 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | 54.3 | 87.1 | 84.9 | -74.6 | -64.7 | -165.9 | 0 | 0 | 115.3 | |||||
| 1470 | N | 24.8 | Very low | 22.5 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -133.5 | 108.6 | 137.9 | -84.1 | -50.1 | 0 | 0 | 0 | 105.4 | ||||
| 1471 | H | 22.6 | Very low | 22.1 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 61% | 0.611 | 72% | 0.724 | S | S | * | * | 50.3 | 92.3 | 80.6 | -71.5 | -54.2 | 0 | 0 | 0 | 114.8 | |||||
| 1472 | D | 21.2 | Very low | 23.6 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 61% | 0.61 | 72% | 0.724 | S | S | * | * | 46.7 | 123.3 | 113.3 | -44.2 | -34.4 | 0 | 0 | 0 | 120.1 | |||||
| 1473 | S | 23.6 | Very low | 23.4 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 56% | 0.559 | 71% | 0.713 | S | S | * | * | -167.4 | 147 | 105.4 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1474 | R | 24 | Very low | 23.6 | Very low | 214 Ų | 214 | 132.1 Ų | 132.1 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | trans | 67.3 | 116.9 | 163.8 | -64.5 | 158.1 | -72.2 | 179.9 | -2.8 | 116.2 | ||||
| 1475 | Y | 20.6 | Very low | 23.6 | Very low | 214 Ų | 214 | 133.9 Ų | 133.9 | 84% | 0.839 | 69% | 0.692 | S | S | * | * | cis | 61.6 | 101.6 | 48.7 | -79.9 | -95.9 | 0 | 0 | 0 | 115.1 | ||||
| 1476 | L | 22.2 | Very low | 23.7 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | 160.8 | 149.2 | 105.8 | -80.6 | -178.2 | 0 | 0 | 0 | 110.4 | |||||
| 1477 | Q | 20.8 | Very low | 23.9 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 65% | 0.652 | S | S | * | * | trans | 50.3 | 156.3 | 147.8 | -90.2 | 40.7 | 26.1 | 0 | 0 | 120.5 | ||||
| 1478 | S | 23.6 | Very low | 24.4 | Very low | 87 Ų | 87 | 123.2 Ų | 123.2 | 61% | 0.608 | 63% | 0.633 | S | S | * | * | cis | -170.5 | 145.8 | -27.7 | -113.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1479 | T | 23.9 | Very low | 24.6 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 72% | 0.718 | 63% | 0.627 | S | S | * | * | trans | 41.4 | 149.8 | 138.6 | -16.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1480 | E | 20.9 | Very low | 25 | Very low | 174 Ų | 174 | 121.9 Ų | 121.9 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | trans | 79.9 | 162 | 159.4 | -56.8 | -175.1 | -172.3 | 0 | 0 | 119.4 | ||||
| 1481 | L | 20.2 | Very low | 25.3 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 76% | 0.759 | 62% | 0.624 | S | S | * | * | -166.6 | -174.3 | -61.1 | -101.4 | 167.6 | 0 | 0 | 0 | 107.5 | |||||
| 1482 | P | 56 | Low | 25.9 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | trans | -112.4 | -166.8 | -144.8 | 45.4 | -39.1 | 0 | 0 | 0 | 117.2 | ||||
| 1483 | S | 20.5 | Very low | 26.3 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | trans | 101.2 | 145.4 | 149.7 | 89.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1484 | S | 24.5 | Very low | 26.6 | Very low | 69 Ų | 69 | 129 Ų | 129 | 48% | 0.483 | 64% | 0.64 | S | S | . | * | trans | 53.4 | 123.7 | 139.8 | 59.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1485 | E | 21.3 | Very low | 26.8 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 64% | 0.64 | 63% | 0.629 | S | S | * | * | 73.8 | 158.9 | 127.2 | -67.4 | -162.6 | 176.7 | 0 | 0 | 124.3 | N1512 | E1485-N1512 PolarHBondContact O-ND2 3.25Š| |||
| 1486 | N | 22.8 | Very low | 27.2 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 39% | 0.385 | 63% | 0.634 | S | S | . | * | trans | 53.9 | 124.4 | 142.4 | -85.3 | -53.2 | 0 | 0 | 0 | 123.2 | D1510 H1511 | N1486-D1510 WeakPolarHBondContact CB-O 3.29Å; N1486-H1511 PolarHBondContact O-N 2.95Å | ||
| 1487 | K | 24.4 | Very low | 27.2 | Very low | 76 Ų | 76 | 121.2 Ų | 121.2 | 33% | 0.33 | 62% | 0.616 | S | S | . | * | 73.6 | 161.4 | 128.1 | -75.2 | 167.7 | 177.3 | -170 | 0 | 121.7 | T1507 Q1508 | K1487-T1507 WeakPolarHBondContact CB-O 3.11Å; K1487-Q1508 HydrophobicContact CD-CB 3.71Å | |||
| 1488 | H | 30.3 | Very low | 27.2 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 31% | 0.31 | 62% | 0.624 | S | S | . | * | trans | 66.2 | 162.4 | 164.9 | -101.7 | 8.8 | 0 | 0 | 0 | 118.3 | T1507 Q1508 | H1488-T1507 PolarHBondContact N-O 3.26Å; H1488-T1507 PolarHBondContact ND1-O 3.09Å; H1488-Q1508 PolarHBondContact CD2-O 3.26Å; H1488-Q1508 VanDerWaalsContact CE1-CA 3.4Å; H1488-Q1508 WeakPolarHBondContact CE1-CA 3.4Å; H1488-Q1508 PolarHBondContact CE1-N 2.77Å; H1488-Q1508 VanDerWaalsContact CE1-N 3.29Å; H1488-Q1508 VanDerWaalsContact CG-O 3.32Å; H1488-Q1508 PolarHBondContact ND1-N 2.93Å; H1488-Q1508 WeakPolarHBondContact NE2-CA 3.36Å | ||
| 1489 | R | 26.4 | Very low | 27.5 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | cis | -164.4 | 147.2 | -19.2 | -145.1 | 178.2 | -179.3 | 155.6 | -16.4 | 111.2 | ||||
| 1490 | V | 29.6 | Very low | 27.9 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | trans | 18.3 | 129.2 | 144.8 | 178.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1491 | Y | 32.1 | Very low | 28.6 | Very low | 207 Ų | 207 | 119 Ų | 119 | 81% | 0.812 | 61% | 0.606 | S | S | * | * | 177.2 | 97.1 | 117 | -99.9 | -66.9 | 0 | 0 | 0 | 113.6 | |||||
| 1492 | D | 34.5 | Very low | 29.3 | Very low | 151 Ų | 151 | 116.3 Ų | 116.3 | 81% | 0.807 | 59% | 0.592 | S | S | * | * | trans | -178.4 | 114.1 | 145.1 | -104.3 | -22.3 | 0 | 0 | 0 | 106.2 | ||||
| 1493 | L | 29 | Very low | 28 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 64% | 0.644 | 60% | 0.602 | S | S | * | * | 70.7 | 122.8 | 73.9 | -98.6 | 69.7 | 0 | 0 | 0 | 115.9 | |||||
| 1494 | L | 30.6 | Very low | 28.4 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 38.3 | 90.1 | 130.5 | -57.1 | 176 | 0 | 0 | 0 | 118.1 | ||
| 1495 | H | 28.4 | Very low | 28.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 57% | 0.569 | 62% | 0.618 | S | S | * | * | 89.1 | 55.1 | 117.8 | -60.5 | -12.6 | 0 | 0 | 0 | 119.4 | N1497 | H1495-N1497 CarbonylContact C-O 3.58Å; H1495-N1497 VanDerWaalsContact CA-CB 3.42Å; H1495-N1497 WeakPolarHBondContact CA-O 3.33Å; H1495-N1497 HydrophobicContact CB-CB 4.48Å | |||
| 1496 | F | 28.7 | Very low | 29 | Very low | 215 Ų | 215 | 126.4 Ų | 126.4 | 94% | 0.943 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -129.8 | 6.4 | 143.4 | -140.6 | -87 | 0 | 0 | 0 | 116.1 | ||
| 1497 | N | 22.5 | Very low | 29 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 37% | 0.369 | 62% | 0.615 | S | S | . | * | S | Bend | 13.6 | 95.8 | 65 | -72 | 4 | 0 | 0 | 0 | 112.9 | H1495 S1499 Q1500 | H1495-N1497 CarbonylContact C-O 3.58Å; H1495-N1497 VanDerWaalsContact CA-CB 3.42Å; H1495-N1497 WeakPolarHBondContact CA-O 3.33Å; H1495-N1497 HydrophobicContact CB-CB 4.48Å; N1497-S1499 VanDerWaalsContact C-N 3.33Å; N1497-Q1500 PolarHBondContact OD1-N 3.21Å | |
| 1498 | Q | 20.9 | Very low | 29.4 | Very low | 190 Ų | 190 | 126.6 Ų | 126.6 | 89% | 0.888 | 62% | 0.618 | S | S | * | * | S | Bend | -60.1 | 106.4 | 87.3 | -179.4 | 176.8 | 70.5 | 0 | 0 | 109.3 | |||
| 1499 | S | 30.3 | Very low | 29.3 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 44% | 0.441 | 63% | 0.626 | S | S | . | * | S | Bend | trans | 15.1 | 104.4 | 172.9 | 54.8 | 0 | 0 | 0 | 0 | 117.6 | N1497 | N1497-S1499 VanDerWaalsContact C-N 3.33Š|
| 1500 | Q | 32.8 | Very low | 29.7 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 51% | 0.505 | 63% | 0.626 | S | S | . | * | trans | 74.7 | 177.4 | 142 | -60.2 | 169.1 | -67 | 0 | 0 | 112 | N1497 D1502 | N1497-Q1500 PolarHBondContact OD1-N 3.21Å; Q1500-D1502 HydrophobicContact CB-CB 4.37Å; Q1500-D1502 WeakPolarHBondContact CG-OD1 3.47Å; Q1500-D1502 WeakPolarHBondContact CG-OD2 3.43Å; Q1500-D1502 PolarHBondContact NE2-OD1 3.11Å; Q1500-D1502 PolarHBondContact NE2-OD2 3.38Å | ||
| 1501 | P | 34.7 | Very low | 29.5 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 62% | 0.619 | S | S | * | * | cis | -83 | 134.2 | 0.4 | -7.6 | 28.7 | 0 | 0 | 0 | 112.7 | ||||
| 1502 | D | 35.7 | Very low | 29.1 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | 57.4 | 96.8 | 57.1 | -65.4 | -18.7 | 0 | 0 | 0 | 114 | Q1500 | Q1500-D1502 HydrophobicContact CB-CB 4.37Å; Q1500-D1502 WeakPolarHBondContact CG-OD1 3.47Å; Q1500-D1502 WeakPolarHBondContact CG-OD2 3.43Å; Q1500-D1502 PolarHBondContact NE2-OD1 3.11Å; Q1500-D1502 PolarHBondContact NE2-OD2 3.38Å | |||
| 1503 | L | 28.7 | Very low | 28.8 | Very low | 163 Ų | 163 | 113.8 Ų | 113.8 | 85% | 0.853 | 58% | 0.576 | S | S | * | * | trans | -159.8 | 77.6 | 131.9 | -97.9 | 155.9 | 0 | 0 | 0 | 102.9 | ||||
| 1504 | R | 28 | Very low | 29 | Very low | 202 Ų | 202 | 112.3 Ų | 112.3 | 76% | 0.762 | 57% | 0.567 | S | S | * | * | 57.3 | 150.5 | 66.3 | -154.4 | -159.3 | 167 | 171.4 | -1.7 | 110.7 | |||||
| 1505 | I | 24.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 107.7 Ų | 107.7 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | trans | 74.5 | 95.8 | 174.9 | -55 | 162.5 | 0 | 0 | 0 | 110.8 | T1507 | I1505-T1507 HydrophobicContact CG2-CG2 4.41Š| ||
| 1506 | Q | 34.2 | Very low | 30 | Very low | 116 Ų | 116 | 105.7 Ų | 105.7 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | cis | 63.1 | 34.7 | 47.9 | -150.9 | -168.4 | -25.1 | 0 | 0 | 114.2 | ||||
| 1507 | T | 22.9 | Very low | 29.6 | Very low | 70 Ų | 70 | 99.7 Ų | 99.7 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | trans | -122.7 | 136 | 143.9 | 43.2 | 0 | 0 | 0 | 0 | 107.9 | K1487 H1488 I1505 | K1487-T1507 WeakPolarHBondContact CB-O 3.11Å; H1488-T1507 PolarHBondContact N-O 3.26Å; H1488-T1507 PolarHBondContact ND1-O 3.09Å; I1505-T1507 HydrophobicContact CG2-CG2 4.41Å | ||
| 1508 | Q | 32.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 100.6 Ų | 100.6 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | cis | -172 | -157.2 | -10.5 | -137.4 | 173 | -17.2 | 0 | 0 | 106.9 | K1487 H1488 | K1487-Q1508 HydrophobicContact CD-CB 3.71Å; H1488-Q1508 PolarHBondContact CD2-O 3.26Å; H1488-Q1508 VanDerWaalsContact CE1-CA 3.4Å; H1488-Q1508 WeakPolarHBondContact CE1-CA 3.4Å; H1488-Q1508 PolarHBondContact CE1-N 2.77Å; H1488-Q1508 VanDerWaalsContact CE1-N 3.29Å; H1488-Q1508 VanDerWaalsContact CG-O 3.32Å; H1488-Q1508 PolarHBondContact ND1-N 2.93Å; H1488-Q1508 WeakPolarHBondContact NE2-CA 3.36Å | ||
| 1509 | Q | 28.6 | Very low | 30.7 | Very low | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 15.3 | 134.7 | 135.5 | -61 | 158 | -36.7 | 0 | 0 | 118.5 | H1511 | Q1509-H1511 VanDerWaalsContact C-CD2 3.48Å; Q1509-H1511 PolarHBondContact O-N 3.5Å |
| 1510 | D | 34.3 | Very low | 30.6 | Very low | 112 Ų | 112 | 102.5 Ų | 102.5 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 16.7 | 64.1 | 167.1 | -62.8 | -76.7 | 0 | 0 | 0 | 112.8 | N1486 | N1486-D1510 WeakPolarHBondContact CB-O 3.29Š|
| 1511 | H | 25.5 | Very low | 30 | Very low | 91 Ų | 91 | 102.6 Ų | 102.6 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | 63.7 | 108.2 | 67 | -34.8 | 128.6 | 0 | 0 | 0 | 106.9 | N1486 Q1509 A1513 | N1486-H1511 PolarHBondContact O-N 2.95Å; Q1509-H1511 VanDerWaalsContact C-CD2 3.48Å; Q1509-H1511 PolarHBondContact O-N 3.5Å; H1511-A1513 WeakPolarHBondContact O-CB 3.26Å; H1511-A1513 PolarHBondContact O-N 3.37Å | |||
| 1512 | N | 24.7 | Very low | 29.3 | Very low | 46 Ų | 46 | 101.8 Ų | 101.8 | 25% | 0.246 | 53% | 0.527 | C | S | . | . | trans | -56.3 | 123.3 | 152.5 | -80.6 | -74.2 | 0 | 0 | 0 | 110.1 | E1485 M1514 N1515 | E1485-N1512 PolarHBondContact O-ND2 3.25Å; N1512-M1514 VanDerWaalsContact OD1-CA 3.25Å; N1512-M1514 WeakPolarHBondContact OD1-CA 3.35Å; N1512-M1514 PolarHBondContact OD1-N 3.27Å; N1512-M1514 PolarHBondContact OD1-O 3.36Å; N1512-N1515 HydrophobicContact CB-CB 4.14Å; N1512-N1515 WeakPolarHBondContact CB-ND2 3.16Å; N1512-N1515 WeakPolarHBondContact OD1-CA 3.4Å; N1512-N1515 WeakPolarHBondContact OD1-CB 3.38Å; N1512-N1515 PolarHBondContact OD1-N 2.77Å | ||
| 1513 | A | 28.5 | Very low | 29.1 | Very low | 57 Ų | 57 | 103.5 Ų | 103.5 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | S | Bend | cis | 55.2 | -126.4 | 11.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1511 K1525 | H1511-A1513 WeakPolarHBondContact O-CB 3.26Å; H1511-A1513 PolarHBondContact O-N 3.37Å; A1513-K1525 PolarHBondContact O-NZ 3.09Å |
| 1514 | M | 33.1 | Very low | 29.1 | Very low | 93 Ų | 93 | 101.3 Ų | 101.3 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -141.1 | 128.8 | -164.1 | -55.6 | -83.7 | 176 | 0 | 0 | 116.1 | N1512 K1525 | N1512-M1514 VanDerWaalsContact OD1-CA 3.25Å; N1512-M1514 WeakPolarHBondContact OD1-CA 3.35Å; N1512-M1514 PolarHBondContact OD1-N 3.27Å; N1512-M1514 PolarHBondContact OD1-O 3.36Å; M1514-K1525 HydrophobicContact CB-CD 4.19Å; M1514-K1525 HydrophobicContact SD-CD 3.75Å; M1514-K1525 PolarHBondContact SD-NZ 2.88Å |
| 1515 | N | 43.5 | Very low | 29.2 | Very low | 31 Ų | 31 | 96.8 Ų | 96.8 | 17% | 0.166 | 51% | 0.506 | C | S | . | . | -137.8 | -156.3 | -102 | -158.7 | -27.3 | 0 | 0 | 0 | 111.8 | N1512 K1525 A1526 T1527 | N1512-N1515 HydrophobicContact CB-CB 4.14Å; N1512-N1515 WeakPolarHBondContact CB-ND2 3.16Å; N1512-N1515 WeakPolarHBondContact OD1-CA 3.4Å; N1512-N1515 WeakPolarHBondContact OD1-CB 3.38Å; N1512-N1515 PolarHBondContact OD1-N 2.77Å; N1515-K1525 CarbonylContact C-O 3.58Å; N1515-K1525 WeakPolarHBondContact CA-O 3.21Å; N1515-K1525 HydrophobicContact CB-CB 4.06Å; N1515-K1525 HydrophobicContact CB-CD 3.83Å; N1515-K1525 HydrophobicContact CB-CG 4.28Å; N1515-K1525 VanDerWaalsContact CB-O 3.25Å; N1515-K1525 WeakPolarHBondContact CB-O 3.46Å; N1515-K1525 PolarHBondContact N-O 3.03Å; N1515-K1525 VanDerWaalsContact O-O 3.13Å; N1515-A1526 CarbonylContact C-O 3.44Å; N1515-A1526 CarbonylContact O-C 3.57Å; N1515-T1527 VanDerWaalsContact O-CG2 3.23Å; N1515-T1527 WeakPolarHBondContact O-CG2 3.41Å; N1515-T1527 PolarHBondContact O-OG1 3.42Å | |||
| 1516 | N | 35.5 | Very low | 29.3 | Very low | 81 Ų | 81 | 94.5 Ų | 94.5 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | trans | -109.4 | 158.5 | -165.9 | -68.3 | -87.3 | 0 | 0 | 0 | 117.3 | K1525 A1526 | N1516-K1525 PolarHBondContact N-O 2.75Å; N1516-K1525 CarbonylContact O-C 3.54Å; N1516-A1526 CarbonylContact C-O 3.5Å; N1516-A1526 WeakPolarHBondContact CA-O 3.5Å; N1516-A1526 PolarHBondContact N-O 3.41Å; N1516-A1526 PolarHBondContact O-N 3.04Å; N1516-A1526 VanDerWaalsContact O-N 3.08Å | ||
| 1517 | P | 22.1 | Very low | 29.1 | Very low | 89 Ų | 89 | 93.5 Ų | 93.5 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | trans | -85.5 | 116.7 | 161.2 | 34.8 | -26.5 | 0 | 0 | 0 | 108.6 | A1526 | P1517-A1526 WeakPolarHBondContact CD-O 3.41Š| ||
| 1518 | S | 36.7 | Very low | 29.3 | Very low | 88 Ų | 88 | 100.2 Ų | 100.2 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | trans | -153 | 147 | -171 | -162.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1519 | R | 28 | Very low | 29.1 | Very low | 205 Ų | 205 | 101.6 Ų | 101.6 | 77% | 0.774 | 53% | 0.533 | S | S | * | . | 21 | 99.1 | 92.2 | -90.4 | -150.4 | 90.8 | -179.1 | 1 | 110.8 | |||||
| 1520 | N | 28.1 | Very low | 28.9 | Very low | 89 Ų | 89 | 101.8 Ų | 101.8 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | cis | -160.7 | -152.9 | 36.3 | -73.7 | -69.8 | 0 | 0 | 0 | 110.9 | ||||
| 1521 | T | 21.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 100 Ų | 100 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | S | Bend | -11.9 | 138.2 | 120.6 | 72.7 | 0 | 0 | 0 | 0 | 113.8 | |||
| 1522 | T | 21 | Very low | 28.3 | Very low | 107 Ų | 107 | 98.8 Ų | 98.8 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 59.3 | 74.8 | 154.9 | 59.1 | 0 | 0 | 0 | 0 | 116.9 | K1524 | T1522-K1524 PolarHBondContact O-NZ 2.77Š|
| 1523 | D | 30.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 100 Ų | 100 | 68% | 0.679 | 54% | 0.535 | S | S | * | . | trans | 73.8 | 172.5 | 164.6 | -29.4 | -60 | 0 | 0 | 0 | 120.1 | ||||
| 1524 | K | 29.1 | Very low | 28.1 | Very low | 117 Ų | 117 | 101.4 Ų | 101.4 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | trans | 99.6 | 52.4 | 152.1 | -57.7 | 125.1 | -167.5 | 138.6 | 0 | 123.2 | T1522 | T1522-K1524 PolarHBondContact O-NZ 2.77Š| ||
| 1525 | K | 30.1 | Very low | 28.6 | Very low | 107 Ų | 107 | 103.8 Ų | 103.8 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | 56.8 | 98 | 122.6 | -175.5 | -149.3 | -59.2 | -177.1 | 0 | 123.5 | A1513 M1514 N1515 N1516 | A1513-K1525 PolarHBondContact O-NZ 3.09Å; M1514-K1525 HydrophobicContact CB-CD 4.19Å; M1514-K1525 HydrophobicContact SD-CD 3.75Å; M1514-K1525 PolarHBondContact SD-NZ 2.88Å; N1515-K1525 CarbonylContact C-O 3.58Å; N1515-K1525 WeakPolarHBondContact CA-O 3.21Å; N1515-K1525 HydrophobicContact CB-CB 4.06Å; N1515-K1525 HydrophobicContact CB-CD 3.83Å; N1515-K1525 HydrophobicContact CB-CG 4.28Å; N1515-K1525 VanDerWaalsContact CB-O 3.25Å; N1515-K1525 WeakPolarHBondContact CB-O 3.46Å; N1515-K1525 PolarHBondContact N-O 3.03Å; N1515-K1525 VanDerWaalsContact O-O 3.13Å; N1516-K1525 PolarHBondContact N-O 2.75Å; N1516-K1525 CarbonylContact O-C 3.54Å | |||
| 1526 | A | 25.9 | Very low | 27.9 | Very low | 62 Ų | 62 | 110.5 Ų | 110.5 | 51% | 0.512 | 58% | 0.575 | S | S | . | * | trans | 77.4 | 167.3 | 141.7 | 0 | 0 | 0 | 0 | 0 | 126.5 | N1515 N1516 P1517 | N1515-A1526 CarbonylContact C-O 3.44Å; N1515-A1526 CarbonylContact O-C 3.57Å; N1516-A1526 CarbonylContact C-O 3.5Å; N1516-A1526 WeakPolarHBondContact CA-O 3.5Å; N1516-A1526 PolarHBondContact N-O 3.41Å; N1516-A1526 PolarHBondContact O-N 3.04Å; N1516-A1526 VanDerWaalsContact O-N 3.08Å; P1517-A1526 WeakPolarHBondContact CD-O 3.41Å | ||
| 1527 | T | 30.1 | Very low | 27.6 | Very low | 95 Ų | 95 | 114.6 Ų | 114.6 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | trans | 110.7 | 143.2 | 166.4 | 69.4 | 0 | 0 | 0 | 0 | 124.3 | N1515 | N1515-T1527 VanDerWaalsContact O-CG2 3.23Å; N1515-T1527 WeakPolarHBondContact O-CG2 3.41Å; N1515-T1527 PolarHBondContact O-OG1 3.42Å | ||
| 1528 | R | 27.4 | Very low | 27.8 | Very low | 211 Ų | 211 | 117.7 Ų | 117.7 | 80% | 0.796 | 60% | 0.597 | S | S | * | * | trans | 18.7 | 164.9 | 156 | -137.6 | -172.6 | 148.8 | 146.9 | -3.8 | 124.8 | ||||
| 1529 | N | 28.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | trans | 70.6 | 162.5 | 157.9 | -74.3 | -6.8 | 0 | 0 | 0 | 116.2 | ||||
| 1530 | H | 24.3 | Very low | 27.2 | Very low | 109 Ų | 109 | 121 Ų | 121 | 51% | 0.505 | 60% | 0.604 | S | S | . | * | cis | -153.2 | -173.7 | -35.5 | -123.8 | -46.1 | 0 | 0 | 0 | 108.3 | S1641 | H1530-S1641 PolarHBondContact O-OG 3.1Š| ||
| 1531 | H | 20.5 | Very low | 27.3 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 35% | 0.347 | 61% | 0.61 | S | S | . | * | trans | -38.3 | 171.9 | 143.2 | -47.5 | -51.8 | 0 | 0 | 0 | 115.3 | G1642 T1643 | H1531-G1642 WeakPolarHBondContact CB-O 3.28Å; H1531-G1642 PolarHBondContact ND1-O 3.03Å; H1531-T1643 WeakPolarHBondContact CB-OG1 3.29Å; H1531-T1643 PolarHBondContact CD2-OG1 3.4Å; H1531-T1643 PolarHBondContact ND1-OG1 3.09Å | ||
| 1532 | S | 26.2 | Very low | 27.4 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 45% | 0.448 | 61% | 0.614 | S | S | . | * | trans | 80.4 | 107.5 | -175.3 | -34.1 | 0 | 0 | 0 | 0 | 113.1 | T1643 Q1644 | S1532-T1643 PolarHBondContact N-O 2.67Å; S1532-T1643 VanDerWaalsContact N-O 3.1Å; S1532-Q1644 PolarHBondContact OG-NE2 2.79Å; S1532-Q1644 PolarHBondContact OG-OE1 3.38Å | ||
| 1533 | S | 21.1 | Very low | 27.6 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | cis | 83.1 | 169.6 | 38.2 | 91.7 | 0 | 0 | 0 | 0 | 114 | Q1644 | S1533-Q1644 PolarHBondContact OG-OE1 3.21Å; S1533-Q1644 VanDerWaalsContact OG-OE1 3.09Å | ||
| 1534 | S | 29 | Very low | 27.3 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 62% | 0.618 | S | S | * | * | trans | 43.1 | 135 | 145.3 | -75.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1535 | H | 42 | Very low | 27.1 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | trans | 75.4 | 120.6 | 130.5 | -79.5 | 63.7 | 0 | 0 | 0 | 120.3 | ||||
| 1536 | R | 28.9 | Very low | 26.9 | Very low | 173 Ų | 173 | 128 Ų | 128 | 65% | 0.653 | 64% | 0.637 | S | S | * | * | trans | 67.4 | 149.3 | 141.6 | -61.7 | -179.2 | -179.6 | -176.4 | 0.4 | 114.4 | ||||
| 1537 | H | 29.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | cis | -123.6 | -176.4 | 26.4 | -86 | -101.8 | 0 | 0 | 0 | 115.4 | ||||
| 1538 | H | 27.4 | Very low | 26.7 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | trans | -36.1 | 148.3 | 169.4 | -68.4 | -82.6 | 0 | 0 | 0 | 116.9 | ||||
| 1539 | H | 29.5 | Very low | 27 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 75% | 0.75 | 64% | 0.638 | S | S | * | * | trans | 53.8 | 149.9 | 133.9 | -78.8 | -66.7 | 0 | 0 | 0 | 123.5 | ||||
| 1540 | Y | 21.5 | Very low | 27.2 | Very low | 201 Ų | 201 | 128.3 Ų | 128.3 | 79% | 0.788 | 64% | 0.64 | S | S | * | * | trans | 89.2 | 128.4 | 142.7 | -101.6 | -121.3 | 0 | 0 | 0 | 121.1 | ||||
| 1541 | T | 31.5 | Very low | 27.2 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 60% | 0.601 | 64% | 0.641 | S | S | * | * | trans | 53.2 | 120.4 | 141.8 | 48.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1542 | Q | 22.8 | Very low | 27.3 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | 91.1 | 130.3 | 123.2 | -75.3 | -176.8 | 2 | 0 | 0 | 123.2 | |||||
| 1543 | Q | 24.7 | Very low | 27.3 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | trans | 67.9 | 115.4 | 136.3 | -69.1 | -177.4 | 17.9 | 0 | 0 | 123.3 | ||||
| 1544 | Q | 23.7 | Very low | 27.4 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | 74.2 | 171.4 | 119.5 | -152.8 | 163 | -13.6 | 0 | 0 | 119.6 | |||||
| 1545 | T | 26.1 | Very low | 27.2 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | trans | 66.2 | 124.6 | 170.5 | 41.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 1546 | D | 25.2 | Very low | 26.1 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | 84.3 | 146.3 | 122.5 | -66.2 | 7.5 | 0 | 0 | 0 | 124.9 | |||||
| 1547 | I | 26.6 | Very low | 25.7 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | 68.8 | 92.4 | 142.6 | -67.7 | 161.2 | 0 | 0 | 0 | 118.2 | ||||
| 1548 | D | 25.2 | Very low | 25.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | 61.4 | 129.4 | 127.3 | -67.5 | -62.5 | 0 | 0 | 0 | 124.2 | P1550 | D1548-P1550 WeakPolarHBondContact O-CD 3.22Š| |||
| 1549 | K | 32.9 | Very low | 25.1 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 53% | 0.526 | 61% | 0.611 | S | S | . | * | 7 | 109.8 | 129.5 | -73.4 | 178.4 | 178 | 178.4 | 0 | 115.7 | T1607 N1610 | K1549-T1607 PolarHBondContact NZ-OG1 2.87Å; K1549-N1610 VanDerWaalsContact CB-ND2 3.35Å; K1549-N1610 WeakPolarHBondContact CB-ND2 3.48Å; K1549-N1610 WeakPolarHBondContact CG-ND2 3.44Å | |||
| 1550 | P | 32.3 | Very low | 24.6 | Very low | 99 Ų | 99 | 118.8 Ų | 118.8 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | -136.1 | 170.9 | 107.6 | 37.9 | -26.9 | 0 | 0 | 0 | 112.1 | D1548 | D1548-P1550 WeakPolarHBondContact O-CD 3.22Š| |||
| 1551 | D | 25.3 | Very low | 24.8 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | cis | -87.7 | 106.8 | 5.7 | -77.8 | -14.5 | 0 | 0 | 0 | 113 | N1610 A1611 | D1551-N1610 WeakPolarHBondContact O-CA 3.3Å; D1551-N1610 WeakPolarHBondContact O-CB 3.15Å; D1551-N1610 PolarHBondContact O-OD1 3.4Å; D1551-A1611 HydrophobicContact CB-CB 4.05Å; D1551-A1611 WeakPolarHBondContact O-CB 3.4Å | ||
| 1552 | N | 21.4 | Very low | 24.4 | Very low | 65 Ų | 65 | 119.4 Ų | 119.4 | 35% | 0.348 | 59% | 0.594 | S | S | . | * | -67.3 | 127.6 | 128.6 | -149.1 | -20.5 | 0 | 0 | 0 | 103 | N1609 N1610 | N1552-N1609 PolarHBondContact ND2-OD1 2.83Å; N1552-N1609 PolarHBondContact OD1-OD1 3.13Å; N1552-N1610 WeakPolarHBondContact CA-OD1 3.38Å; N1552-N1610 WeakPolarHBondContact CB-OD1 3.14Å; N1552-N1610 PolarHBondContact N-ND2 2.95Å; N1552-N1610 VanDerWaalsContact N-ND2 3.14Å; N1552-N1610 PolarHBondContact N-OD1 3.16Å | |||
| 1553 | I | 26 | Very low | 24.4 | Very low | 77 Ų | 77 | 116.3 Ų | 116.3 | 40% | 0.395 | 58% | 0.581 | S | S | . | * | cis | -139.3 | -167.7 | 38 | -43.1 | 95.3 | 0 | 0 | 0 | 110.7 | R1557 | I1553-R1557 HydrophobicContact CG2-CB 4.46Š| ||
| 1554 | H | 25.2 | Very low | 24.4 | Very low | 151 Ų | 151 | 113.3 Ų | 113.3 | 70% | 0.699 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 102.1 | 103.1 | 149.7 | -46.4 | -69.8 | 0 | 0 | 0 | 115.7 | S1556 | H1554-S1556 PolarHBondContact N-O 3.3Š|
| 1555 | T | 24.4 | Very low | 24.4 | Very low | 132 Ų | 132 | 106.2 Ų | 106.2 | 81% | 0.81 | 54% | 0.537 | S | S | * | . | S | Bend | cis | -140 | 70.3 | -3.4 | 56 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1556 | S | 18.2 | Very low | 24.3 | Very low | 30 Ų | 30 | 103.3 Ų | 103.3 | 21% | 0.21 | 52% | 0.52 | C | S | . | . | -107.8 | 153.8 | 102.5 | 75.9 | 0 | 0 | 0 | 0 | 105.1 | H1554 P1558 D1608 | H1554-S1556 PolarHBondContact N-O 3.3Å; S1556-P1558 VanDerWaalsContact CB-N 3.28Å; S1556-P1558 WeakPolarHBondContact OG-CD 3.32Å; S1556-D1608 WeakPolarHBondContact CB-OD2 3.18Å; S1556-D1608 VanDerWaalsContact OG-CG 3.3Å; S1556-D1608 PolarHBondContact OG-O 2.87Å; S1556-D1608 PolarHBondContact OG-OD2 3.14Å | |||
| 1557 | R | 21.6 | Very low | 24.3 | Very low | 194 Ų | 194 | 103.8 Ų | 103.8 | 73% | 0.732 | 52% | 0.516 | S | S | * | . | cis | 27.3 | 71.9 | 4.4 | -141.5 | 171.7 | -157.5 | 176.8 | 7.9 | 115.3 | I1553 N1559 | I1553-R1557 HydrophobicContact CG2-CB 4.46Å; R1557-N1559 PolarHBondContact O-N 3.48Å | ||
| 1558 | P | 22.7 | Very low | 24 | Very low | 44 Ų | 44 | 105.3 Ų | 105.3 | 29% | 0.286 | 52% | 0.52 | S | S | . | . | trans | -59.5 | 113.7 | 156.1 | -11.3 | 26.3 | 0 | 0 | 0 | 105.4 | S1556 D1608 | S1556-P1558 VanDerWaalsContact CB-N 3.28Å; S1556-P1558 WeakPolarHBondContact OG-CD 3.32Å; P1558-D1608 HydrophobicContact CG-CB 4.24Å; P1558-D1608 WeakPolarHBondContact CG-O 3.43Å | ||
| 1559 | N | 19.5 | Very low | 24.1 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | trans | -121.2 | 118.1 | 161.1 | -110.3 | 3.7 | 0 | 0 | 0 | 102.4 | R1557 H1561 | R1557-N1559 PolarHBondContact O-N 3.48Å; N1559-H1561 VanDerWaalsContact C-N 3.29Å; N1559-H1561 PolarHBondContact O-N 3.03Å | ||
| 1560 | H | 20.7 | Very low | 23.6 | Very low | 104 Ų | 104 | 106 Ų | 106 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | 31.9 | 77.4 | 72.2 | -58.2 | -71.2 | 0 | 0 | 0 | 107.6 | Y1606 | H1560-Y1606 AromaticContact CE1-CE1 3.83Å; H1560-Y1606 AromaticContact CE1-CZ 3.84Å; H1560-Y1606 PolarHBondContact CE1-OH 2.79Å; H1560-Y1606 AromaticContact NE2-CE1 3.69Å; H1560-Y1606 AromaticContact NE2-CZ 3.96Å | |||
| 1561 | H | 24.8 | Very low | 23.5 | Very low | 138 Ų | 138 | 110 Ų | 110 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | -160.6 | 123.1 | 78.8 | -97 | -30.2 | 0 | 0 | 0 | 116.2 | N1559 | N1559-H1561 VanDerWaalsContact C-N 3.29Å; N1559-H1561 PolarHBondContact O-N 3.03Å | |||
| 1562 | R | 22.3 | Very low | 23.5 | Very low | 173 Ų | 173 | 109.6 Ų | 109.6 | 65% | 0.653 | 54% | 0.541 | S | S | * | . | 102.3 | 96 | 97.2 | -164.5 | 174 | -157.4 | 146.6 | 0.1 | 115 | |||||
| 1563 | I | 23.9 | Very low | 23.9 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | 72.3 | 114.7 | 102.9 | -82.2 | 158.7 | 0 | 0 | 0 | 114.5 | R2373 | I1563-R2373 PolarHBondContact O-NH1 3.27Š| |||
| 1564 | D | 24.6 | Very low | 23.8 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 43% | 0.433 | 58% | 0.579 | S | S | . | * | trans | 68.7 | 137.9 | 139.4 | -48.6 | 3.7 | 0 | 0 | 0 | 116.3 | R2373 | D1564-R2373 CarbonylContact C-O 3.59Å; D1564-R2373 WeakPolarHBondContact O-CB 3.31Å; D1564-R2373 PolarHBondContact O-NH1 2.96Å | ||
| 1565 | K | 24.2 | Very low | 23.9 | Very low | 14 Ų | 14 | 120.1 Ų | 120.1 | 6% | 0.061 | 58% | 0.581 | C | S | . | * | -110.2 | 154.8 | 90.5 | -87 | -155.5 | -109 | 106.8 | 0 | 110.4 | Q2369 D2370 W2371 R2373 K2374 Q2377 | K1565-Q2369 VanDerWaalsContact CD-O 3.24Å; K1565-Q2369 WeakPolarHBondContact CD-O 3.18Å; K1565-Q2369 WeakPolarHBondContact CE-O 3.36Å; K1565-D2370 HydrophobicContact CD-CB 4.38Å; K1565-D2370 WeakPolarHBondContact CD-OD1 3.27Å; K1565-D2370 WeakPolarHBondContact CE-O 3.05Å; K1565-D2370 PolarHBondContact NZ-O 2.69Å; K1565-W2371 PolarHBondContact NZ-O 3.03Å; K1565-R2373 WeakPolarHBondContact CB-O 3.34Å; K1565-R2373 HydrophobicContact CD-CB 4.37Å; K1565-R2373 VanDerWaalsContact CG-C 3.49Å; K1565-R2373 HydrophobicContact CG-CB 3.74Å; K1565-R2373 PolarHBondContact N-O 2.76Å; K1565-R2373 VanDerWaalsContact N-O 3.08Å; K1565-K2374 HydrophobicContact CB-CB 4.39Å; K1565-K2374 HydrophobicContact CB-CG 3.53Å; K1565-K2374 HydrophobicContact CD-CD 4.43Å; K1565-K2374 HydrophobicContact CD-CG 3.97Å; K1565-K2374 HydrophobicContact CG-CG 4.18Å; K1565-K2374 VanDerWaalsContact NZ-CA 3.3Å; K1565-Q2377 HydrophobicContact CB-CB 4.16Å; K1565-Q2377 VanDerWaalsContact CB-OE1 3.27Å; K1565-Q2377 PolarHBondContact O-OE1 2.84Å; K1565-Q2377 VanDerWaalsContact O-OE1 3.04Å | |||
| 1566 | S | 23.2 | Very low | 23.7 | Very low | 44 Ų | 44 | 122 Ų | 122 | 31% | 0.308 | 59% | 0.585 | S | S | . | * | 58.4 | 69 | 60 | 139.6 | 0 | 0 | 0 | 0 | 110.2 | D2370 K2374 Q2377 | S1566-D2370 PolarHBondContact OG-OD1 2.86Å; S1566-K2374 WeakPolarHBondContact O-CE 3.26Å; S1566-Q2377 VanDerWaalsContact C-OE1 3.24Å; S1566-Q2377 PolarHBondContact O-OE1 3.42Å; S1566-Q2377 VanDerWaalsContact O-OE1 3.13Å | |||
| 1567 | K | 24.5 | Very low | 24 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | -146.4 | 149.5 | 92.2 | -98.8 | 165.4 | 179.5 | -174.7 | 0 | 111.3 | |||||
| 1568 | Q | 21.5 | Very low | 24 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | trans | 67.9 | 148.5 | 158.2 | -70.2 | 158.7 | -93.7 | 0 | 0 | 115 | ||||
| 1569 | L | 27.3 | Very low | 24 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | cis | -144.8 | 155 | -11.5 | -171.7 | 58.8 | 0 | 0 | 0 | 109.1 | ||||
| 1570 | D | 20.9 | Very low | 24.1 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | trans | -59.3 | 163.2 | 173.1 | -55.8 | -91.5 | 0 | 0 | 0 | 114.1 | ||||
| 1571 | K | 31.5 | Very low | 24.3 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | trans | 93.4 | 142.5 | 166 | -48.9 | 143.6 | -165.7 | 167.2 | 0 | 114.9 | ||||
| 1572 | S | 25.7 | Very low | 24.3 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 62% | 0.622 | 67% | 0.667 | S | S | * | * | cis | -177.8 | 161.4 | -21.8 | 57.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1573 | K | 28.1 | Very low | 25 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | 84.5 | 106.8 | 159.3 | -59.1 | 168.2 | -174.8 | 176.9 | 0 | 119.4 | ||||
| 1574 | Q | 25.2 | Very low | 24.9 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | 60.9 | 142.8 | 112.7 | -68.6 | -179 | -15.8 | 0 | 0 | 123.1 | |||||
| 1575 | K | 26.8 | Very low | 24.6 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | 77.6 | 99.5 | 145.6 | -79.8 | 177.1 | 173.5 | -175.8 | 0 | 119.9 | ||||
| 1576 | I | 20.2 | Very low | 24.6 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | 37.1 | 108.5 | 99.9 | -52.9 | 162.8 | 0 | 0 | 0 | 115.1 | |||||
| 1577 | G | 25.7 | Very low | 25.2 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -167.3 | 109.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1578 | S | 19.8 | Very low | 25 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -89.7 | 151.9 | 165.5 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1579 | L | 22.5 | Very low | 25.3 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | 165.5 | 118.6 | 137.7 | -89.5 | 159.2 | 0 | 0 | 0 | 113.7 | ||||
| 1580 | S | 21.7 | Very low | 25.5 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | 45 | 148.8 | 124.9 | -55.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1581 | R | 26.5 | Very low | 25.8 | Very low | 238 Ų | 238 | 133.8 Ų | 133.8 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | 100 | 138.1 | 164.5 | -60.9 | 168.4 | 160.2 | -134.5 | -2.9 | 115.1 | ||||
| 1582 | S | 23.9 | Very low | 25.5 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | cis | 119.1 | 102.1 | -7.1 | 79.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1583 | T | 36.3 | Very low | 25.5 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 85% | 0.847 | 74% | 0.735 | S | S | * | * | trans | 151.2 | 111.4 | 151.2 | 35.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1584 | P | 22.7 | Very low | 25.5 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 45% | 0.448 | 74% | 0.735 | S | S | . | * | -158.5 | 106.4 | 65.3 | 37.4 | -13.2 | 0 | 0 | 0 | 116.7 | N1587 L1588 | P1584-N1587 HydrophobicContact CB-CB 3.99Å; P1584-N1587 CarbonylContact O-C 3.58Å; P1584-L1588 HydrophobicContact CB-CB 3.94Å; P1584-L1588 HydrophobicContact CB-CD1 3.71Å; P1584-L1588 HydrophobicContact CB-CG 4.41Å; P1584-L1588 HydrophobicContact CG-CB 3.82Å; P1584-L1588 HydrophobicContact CG-CD1 3.97Å; P1584-L1588 HydrophobicContact CG-CG 4.33Å | |||
| 1585 | S | 18.6 | Very low | 25.8 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -160.2 | 144.8 | 146.8 | -141.1 | 0 | 0 | 0 | 0 | 111.7 | N1587 | S1585-N1587 VanDerWaalsContact CA-N 3.31Å; S1585-N1587 WeakPolarHBondContact CB-O 3.34Å; S1585-N1587 PolarHBondContact OG-N 3Å; S1585-N1587 PolarHBondContact OG-O 3.02Å |
| 1586 | L | 24.5 | Very low | 25.9 | Very low | 177 Ų | 177 | 128 Ų | 128 | 93% | 0.927 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -72.5 | 97.7 | 11 | -71 | 153.1 | 0 | 0 | 0 | 113.2 | ||
| 1587 | N | 34.3 | Very low | 26.4 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 54% | 0.54 | 74% | 0.74 | S | S | . | * | trans | 164.4 | -179.5 | -155.4 | -107.9 | -39.5 | 0 | 0 | 0 | 106 | P1584 S1585 A1589 | P1584-N1587 HydrophobicContact CB-CB 3.99Å; P1584-N1587 CarbonylContact O-C 3.58Å; S1585-N1587 VanDerWaalsContact CA-N 3.31Å; S1585-N1587 WeakPolarHBondContact CB-O 3.34Å; S1585-N1587 PolarHBondContact OG-N 3Å; S1585-N1587 PolarHBondContact OG-O 3.02Å; N1587-A1589 PolarHBondContact OD1-N 2.66Å | ||
| 1588 | L | 21.7 | Very low | 26.4 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | cis | -80.5 | 120.6 | -0.4 | -171 | 66.9 | 0 | 0 | 0 | 112.4 | P1584 | P1584-L1588 HydrophobicContact CB-CB 3.94Å; P1584-L1588 HydrophobicContact CB-CD1 3.71Å; P1584-L1588 HydrophobicContact CB-CG 4.41Å; P1584-L1588 HydrophobicContact CG-CB 3.82Å; P1584-L1588 HydrophobicContact CG-CD1 3.97Å; P1584-L1588 HydrophobicContact CG-CG 4.33Å | ||
| 1589 | A | 26.5 | Very low | 26.6 | Very low | 54 Ų | 54 | 133.2 Ų | 133.2 | 45% | 0.446 | 73% | 0.732 | S | S | . | * | trans | -89.7 | 158.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | N1587 | N1587-A1589 PolarHBondContact OD1-N 2.66Š| ||
| 1590 | Q | 31.4 | Very low | 27 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 78.9 | 124.5 | 144.2 | -164.4 | 170.8 | -12.3 | 0 | 0 | 118.7 | ||||
| 1591 | V | 28.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | trans | 60.8 | 125.7 | 155.1 | 176.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1592 | G | 24 | Very low | 27.3 | Very low | 58 Ų | 58 | 130.2 Ų | 130.2 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | 162.9 | 165.4 | 89.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1593 | M | 25.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | 55 | 85.3 | 51.1 | -66.7 | 171.7 | 169.5 | 0 | 0 | 109.7 | |||||
| 1594 | D | 29.9 | Very low | 27 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | 92 | 149.5 | 81.7 | -69.9 | -36.9 | 0 | 0 | 0 | 108.6 | |||||
| 1595 | D | 29.9 | Very low | 27 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 63.9 | 100.8 | -165.6 | -49.3 | -23.4 | 0 | 0 | 0 | 113.4 | ||||
| 1596 | D | 29.8 | Very low | 27.2 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | 99.4 | 67.6 | 97.4 | -80.7 | -9.3 | 0 | 0 | 0 | 113.3 | |||||
| 1597 | M | 30.9 | Very low | 27.1 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 89% | 0.892 | 70% | 0.698 | S | S | * | * | trans | -96.1 | 92.5 | 171.6 | -85.4 | -77.8 | -177.3 | 0 | 0 | 111.4 | ||||
| 1598 | I | 26.2 | Very low | 26.3 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | 24.9 | 100.1 | 129 | -63.4 | 176 | 0 | 0 | 0 | 113.8 | |||||
| 1599 | E | 24 | Very low | 26.2 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 68% | 0.682 | S | S | * | * | 82.8 | 108.2 | 68.1 | -179.1 | -175.9 | -146.7 | 0 | 0 | 111.8 | |||||
| 1600 | L | 30 | Very low | 26.1 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 72% | 0.723 | 67% | 0.672 | S | S | * | * | trans | 60.2 | 111.3 | 155.6 | -54.8 | 172.2 | 0 | 0 | 0 | 116 | ||||
| 1601 | D | 28.3 | Very low | 25.8 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | 52.9 | 136.7 | 59.1 | -56.4 | -51.7 | 0 | 0 | 0 | 112.8 | |||||
| 1602 | D | 25.4 | Very low | 25.7 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | 50.2 | 102.5 | -176.3 | -61.9 | -30.5 | 0 | 0 | 0 | 116.3 | ||||
| 1603 | N | 27.7 | Very low | 25.8 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | S | Bend | -173.8 | 143.7 | 125.5 | -103.4 | -66.4 | 0 | 0 | 0 | 112.9 | N1605 | N1603-N1605 PolarHBondContact O-N 2.68Š| |
| 1604 | E | 26.4 | Very low | 25.6 | Very low | 136 Ų | 136 | 123 Ų | 123 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | 46.2 | 25.8 | 151.9 | -54.2 | -57.8 | 91.3 | 0 | 0 | 117.8 | Y1606 | E1604-Y1606 HydrophobicContact CB-CD2 4.41Å; E1604-Y1606 PolarHBondContact O-N 2.79Å; E1604-Y1606 VanDerWaalsContact OE1-CE2 3.32Å; E1604-Y1606 WeakPolarHBondContact OE1-CE2 3.31Å | ||
| 1605 | N | 23.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 88% | 0.877 | 65% | 0.652 | S | S | * | * | trans | -75.1 | 26.6 | -171 | -150.8 | 0.1 | 0 | 0 | 0 | 112.7 | N1603 | N1603-N1605 PolarHBondContact O-N 2.68Š| ||
| 1606 | Y | 23.7 | Very low | 25 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 47% | 0.467 | 64% | 0.644 | S | S | . | * | trans | -69.2 | 150.3 | -156.3 | -74.9 | -79.5 | 0 | 0 | 0 | 113.6 | H1560 E1604 | H1560-Y1606 AromaticContact CE1-CE1 3.83Å; H1560-Y1606 AromaticContact CE1-CZ 3.84Å; H1560-Y1606 PolarHBondContact CE1-OH 2.79Å; H1560-Y1606 AromaticContact NE2-CE1 3.69Å; H1560-Y1606 AromaticContact NE2-CZ 3.96Å; E1604-Y1606 HydrophobicContact CB-CD2 4.41Å; E1604-Y1606 PolarHBondContact O-N 2.79Å; E1604-Y1606 VanDerWaalsContact OE1-CE2 3.32Å; E1604-Y1606 WeakPolarHBondContact OE1-CE2 3.31Å | ||
| 1607 | T | 21.2 | Very low | 24.8 | Very low | 58 Ų | 58 | 119.2 Ų | 119.2 | 36% | 0.356 | 64% | 0.642 | S | S | . | * | trans | 79.1 | 111 | 164.3 | 85 | 0 | 0 | 0 | 0 | 114.1 | K1549 N1609 | K1549-T1607 PolarHBondContact NZ-OG1 2.87Å; T1607-N1609 VanDerWaalsContact CB-CB 3.46Å; T1607-N1609 WeakPolarHBondContact CB-ND2 3.34Å; T1607-N1609 HydrophobicContact CG2-CB 4.46Å; T1607-N1609 VanDerWaalsContact CG2-ND2 3.33Å; T1607-N1609 WeakPolarHBondContact CG2-ND2 3.26Å; T1607-N1609 WeakPolarHBondContact OG1-CB 3.18Å; T1607-N1609 PolarHBondContact OG1-ND2 3.15Å | ||
| 1608 | D | 17.2 | Very low | 24.5 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | cis | 50 | 56.3 | 20.1 | -148.7 | 56.2 | 0 | 0 | 0 | 110.6 | S1556 P1558 | S1556-D1608 WeakPolarHBondContact CB-OD2 3.18Å; S1556-D1608 VanDerWaalsContact OG-CG 3.3Å; S1556-D1608 PolarHBondContact OG-O 2.87Å; S1556-D1608 PolarHBondContact OG-OD2 3.14Å; P1558-D1608 HydrophobicContact CG-CB 4.24Å; P1558-D1608 WeakPolarHBondContact CG-O 3.43Å | ||
| 1609 | N | 21.1 | Very low | 24.5 | Very low | 46 Ų | 46 | 125.6 Ų | 125.6 | 25% | 0.246 | 65% | 0.653 | C | S | . | * | trans | -151.7 | 132.3 | -174.4 | -108.1 | -7.9 | 0 | 0 | 0 | 107.8 | N1552 T1607 | N1552-N1609 PolarHBondContact ND2-OD1 2.83Å; N1552-N1609 PolarHBondContact OD1-OD1 3.13Å; T1607-N1609 VanDerWaalsContact CB-CB 3.46Å; T1607-N1609 WeakPolarHBondContact CB-ND2 3.34Å; T1607-N1609 HydrophobicContact CG2-CB 4.46Å; T1607-N1609 VanDerWaalsContact CG2-ND2 3.33Å; T1607-N1609 WeakPolarHBondContact CG2-ND2 3.26Å; T1607-N1609 WeakPolarHBondContact OG1-CB 3.18Å; T1607-N1609 PolarHBondContact OG1-ND2 3.15Å | ||
| 1610 | N | 22.6 | Very low | 24.7 | Very low | 47 Ų | 47 | 122.7 Ų | 122.7 | 25% | 0.251 | 65% | 0.65 | S | S | . | * | trans | 82.2 | 93.9 | 147 | -50.6 | 14 | 0 | 0 | 0 | 119.2 | K1549 D1551 N1552 | K1549-N1610 VanDerWaalsContact CB-ND2 3.35Å; K1549-N1610 WeakPolarHBondContact CB-ND2 3.48Å; K1549-N1610 WeakPolarHBondContact CG-ND2 3.44Å; D1551-N1610 WeakPolarHBondContact O-CA 3.3Å; D1551-N1610 WeakPolarHBondContact O-CB 3.15Å; D1551-N1610 PolarHBondContact O-OD1 3.4Å; N1552-N1610 WeakPolarHBondContact CA-OD1 3.38Å; N1552-N1610 WeakPolarHBondContact CB-OD1 3.14Å; N1552-N1610 PolarHBondContact N-ND2 2.95Å; N1552-N1610 VanDerWaalsContact N-ND2 3.14Å; N1552-N1610 PolarHBondContact N-OD1 3.16Å | ||
| 1611 | A | 26.8 | Very low | 24.5 | Very low | 53 Ų | 53 | 123.5 Ų | 123.5 | 44% | 0.438 | 65% | 0.651 | S | S | . | * | 42.5 | 167.8 | 114.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | D1551 | D1551-A1611 HydrophobicContact CB-CB 4.05Å; D1551-A1611 WeakPolarHBondContact O-CB 3.4Å | |||
| 1612 | V | 24.7 | Very low | 24.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 70% | 0.697 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 11.5 | 129.4 | 143.1 | -178.5 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1613 | S | 27.8 | Very low | 24.1 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 51% | 0.51 | 65% | 0.652 | S | S | . | * | trans | 64.4 | 88 | 172.7 | 75 | 0 | 0 | 0 | 0 | 113.9 | H1615 | S1613-H1615 PolarHBondContact O-N 3.21Š| ||
| 1614 | N | 20.7 | Very low | 24 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 94% | 0.941 | 65% | 0.651 | S | S | * | * | 47.7 | 38.7 | 51.2 | -89.1 | -32.5 | 0 | 0 | 0 | 113.7 | |||||
| 1615 | H | 22.1 | Very low | 23.7 | Very low | 154 Ų | 154 | 128 Ų | 128 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | trans | -86.2 | 120.3 | 162.4 | -100.6 | -96.7 | 0 | 0 | 0 | 111.8 | S1613 | S1613-H1615 PolarHBondContact O-N 3.21Š| ||
| 1616 | S | 24.6 | Very low | 23.5 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | 61.9 | 149.5 | 105.5 | -61 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1617 | P | 25.4 | Very low | 23.2 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | -99.8 | 165.5 | -116.7 | -7.5 | 26.7 | 0 | 0 | 0 | 116 | R1619 | P1617-R1619 PolarHBondContact O-N 2.95Å; P1617-R1619 VanDerWaalsContact O-N 3.14Å | |
| 1618 | K | 25.5 | Very low | 23.2 | Very low | 212 Ų | 212 | 130.9 Ų | 130.9 | 92% | 0.922 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 118 | 166 | -68.1 | -172.7 | 175.4 | -173.1 | 0 | 110.3 | ||
| 1619 | R | 25.7 | Very low | 23.7 | Very low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -66 | 135.1 | 178.5 | -74.9 | 178.3 | 169.7 | 178.7 | -2.5 | 111.2 | P1617 | P1617-R1619 PolarHBondContact O-N 2.95Å; P1617-R1619 VanDerWaalsContact O-N 3.14Å |
| 1620 | S | 27.9 | Very low | 24.1 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | 49.8 | 134.1 | 127.5 | -143.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1621 | M | 25.6 | Very low | 24.8 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | -171.4 | 149.1 | 75.7 | -88.4 | -68.8 | 176.3 | 0 | 0 | 111.2 | |||||
| 1622 | R | 23.7 | Very low | 25.1 | Very low | 230 Ų | 230 | 144.8 Ų | 144.8 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | trans | 33.7 | 124.3 | 157.2 | -66 | 174.9 | 171.9 | 168.7 | -2.7 | 117.2 | ||||
| 1623 | S | 23 | Very low | 25.2 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -155.3 | 150.6 | 46.4 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1624 | R | 24.3 | Very low | 24.9 | Very low | 193 Ų | 193 | 152 Ų | 152 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | 37.1 | 108.7 | 104.3 | -42.1 | -169.5 | 145.9 | 144.1 | -7.6 | 111.4 | I1627 | R1624-I1627 HydrophobicContact CB-CD1 3.86Å; R1624-I1627 HydrophobicContact CB-CG1 4.23Å; R1624-I1627 HydrophobicContact CG-CD1 3.58Å; R1624-I1627 HydrophobicContact CG-CG1 3.77Å | |||
| 1625 | N | 21 | Very low | 24.8 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -85.8 | 157.7 | 44.7 | -136.2 | -21.5 | 0 | 0 | 0 | 116.6 | ||
| 1626 | R | 18.4 | Very low | 24.7 | Very low | 202 Ų | 202 | 149.7 Ų | 149.7 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | 8.3 | 112.3 | -179.3 | -73.4 | 153.1 | -159.9 | -143.9 | -2.4 | 117 | S1628 | R1626-S1628 VanDerWaalsContact C-N 3.28Š| ||
| 1627 | I | 18.2 | Very low | 24.5 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 60% | 0.6 | 75% | 0.753 | S | S | * | * | cis | 59.5 | 29.9 | 31.9 | -20.4 | 148.1 | 0 | 0 | 0 | 113.5 | R1624 | R1624-I1627 HydrophobicContact CB-CD1 3.86Å; R1624-I1627 HydrophobicContact CB-CG1 4.23Å; R1624-I1627 HydrophobicContact CG-CD1 3.58Å; R1624-I1627 HydrophobicContact CG-CG1 3.77Å | ||
| 1628 | S | 20 | Very low | 24.4 | Very low | 81 Ų | 81 | 149.9 Ų | 149.9 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | trans | -159.7 | 124.5 | 154.4 | 165.3 | 0 | 0 | 0 | 0 | 104.3 | R1626 | R1626-S1628 VanDerWaalsContact C-N 3.28Š| ||
| 1629 | E | 27.7 | Very low | 24.1 | Very low | 138 Ų | 138 | 146 Ų | 146 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | cis | -155 | 177.3 | -0.4 | -118.4 | 155.9 | -106.8 | 0 | 0 | 108.1 | ||||
| 1630 | K | 30.7 | Very low | 23.8 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | 62.8 | 108.3 | 155.9 | -77.1 | 158.5 | -173.8 | 129.5 | 0 | 116.6 | ||||
| 1631 | T | 37.5 | Very low | 23.6 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | 58.5 | 125.6 | 94.4 | 64.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 1632 | N | 33.4 | Very low | 23.5 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | 67.4 | 104.4 | 140.8 | -54 | -5.1 | 0 | 0 | 0 | 119.5 | ||||
| 1633 | R | 26.8 | Very low | 23.7 | Very low | 230 Ų | 230 | 130.6 Ų | 130.6 | 87% | 0.868 | 70% | 0.7 | S | S | * | * | 31.9 | 88.2 | 128.1 | -168.7 | -171.7 | -168.2 | 177.3 | 5.7 | 116.4 | |||||
| 1634 | P | 20.4 | Very low | 23.6 | Very low | 109 Ų | 109 | 131 Ų | 131 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -71.6 | 148.1 | 161.8 | 31.8 | -33.7 | 0 | 0 | 0 | 110.7 | ||||
| 1635 | Q | 18.2 | Very low | 23.6 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | 57.8 | 105.9 | 165.3 | -64.9 | 160.4 | -13.4 | 0 | 0 | 115.1 | ||||
| 1636 | S | 21.1 | Very low | 23.9 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 66% | 0.656 | S | S | * | * | 55.7 | 94.9 | 62.5 | -158.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1637 | V | 19.1 | Very low | 24.4 | Very low | 150 Ų | 150 | 119.1 Ų | 119.1 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | trans | -143 | 116.2 | 170.6 | -95.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1638 | G | 23.3 | Very low | 24.8 | Very low | 64 Ų | 64 | 119.8 Ų | 119.8 | 66% | 0.66 | 65% | 0.654 | S | S | * | * | trans | 156.9 | 113 | -170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1639 | S | 20.4 | Very low | 25 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 92% | 0.923 | 65% | 0.652 | S | S | * | * | cis | 74.3 | 38.1 | 5.7 | -55.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1640 | R | 18.8 | Very low | 24.8 | Very low | 222 Ų | 222 | 119.8 Ų | 119.8 | 84% | 0.838 | 65% | 0.647 | S | S | * | * | trans | -151.8 | 135.2 | 135.9 | -143.5 | -179.8 | -169.6 | -163.2 | 3.4 | 109.6 | ||||
| 1641 | S | 23.4 | Very low | 24.4 | Very low | 67 Ų | 67 | 119.3 Ų | 119.3 | 47% | 0.469 | 65% | 0.647 | S | S | . | * | trans | 61.5 | 132 | 175.1 | -27.1 | 0 | 0 | 0 | 0 | 117.5 | H1530 | H1530-S1641 PolarHBondContact O-OG 3.1Š| ||
| 1642 | G | 24.6 | Very low | 23.8 | Very low | 54 Ų | 54 | 117.2 Ų | 117.2 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | trans | -80.3 | -176.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112 | H1531 | H1531-G1642 WeakPolarHBondContact CB-O 3.28Å; H1531-G1642 PolarHBondContact ND1-O 3.03Å | ||
| 1643 | T | 26.5 | Very low | 24 | Very low | 47 Ų | 47 | 113 Ų | 113 | 29% | 0.288 | 62% | 0.619 | S | S | . | * | trans | 62.3 | 162.5 | -174.5 | 115.7 | 0 | 0 | 0 | 0 | 114.7 | H1531 S1532 V1645 | H1531-T1643 WeakPolarHBondContact CB-OG1 3.29Å; H1531-T1643 PolarHBondContact CD2-OG1 3.4Å; H1531-T1643 PolarHBondContact ND1-OG1 3.09Å; S1532-T1643 PolarHBondContact N-O 2.67Å; S1532-T1643 VanDerWaalsContact N-O 3.1Å; T1643-V1645 HydrophobicContact CG2-CG2 3.58Å; T1643-V1645 WeakPolarHBondContact OG1-CB 3.44Å; T1643-V1645 WeakPolarHBondContact OG1-CG2 3.33Å | ||
| 1644 | Q | 22 | Very low | 23.9 | Very low | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 61% | 0.612 | S | S | . | * | cis | -48.8 | 137.3 | 15.1 | -72.5 | 125 | -36.8 | 0 | 0 | 115.8 | S1532 S1533 | S1532-Q1644 PolarHBondContact OG-NE2 2.79Å; S1532-Q1644 PolarHBondContact OG-OE1 3.38Å; S1533-Q1644 PolarHBondContact OG-OE1 3.21Å; S1533-Q1644 VanDerWaalsContact OG-OE1 3.09Å | ||
| 1645 | V | 23.9 | Very low | 24.2 | Very low | 51 Ų | 51 | 107.6 Ų | 107.6 | 31% | 0.309 | 61% | 0.609 | S | S | . | * | cis | 57.5 | 97.3 | 20.1 | 175 | 0 | 0 | 0 | 0 | 113.5 | T1643 I1666 | T1643-V1645 HydrophobicContact CG2-CG2 3.58Å; T1643-V1645 WeakPolarHBondContact OG1-CB 3.44Å; T1643-V1645 WeakPolarHBondContact OG1-CG2 3.33Å; V1645-I1666 HydrophobicContact CB-CG1 4.23Å; V1645-I1666 HydrophobicContact CG1-CG1 4.27Å; V1645-I1666 HydrophobicContact CG2-CB 4.33Å; V1645-I1666 HydrophobicContact CG2-CG1 3.79Å | ||
| 1646 | N | 27.6 | Very low | 24.2 | Very low | 80 Ų | 80 | 103.7 Ų | 103.7 | 43% | 0.428 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 64.4 | 168.5 | 142.2 | -154.2 | 10.4 | 0 | 0 | 0 | 118.6 | D1665 I1666 | N1646-D1665 WeakPolarHBondContact CA-OD1 3.48Å; N1646-D1665 PolarHBondContact N-OD1 3.27Å; N1646-I1666 HydrophobicContact CB-CD1 4.08Å |
| 1647 | Q | 29.1 | Very low | 24.5 | Very low | 153 Ų | 153 | 106.3 Ų | 106.3 | 72% | 0.715 | 60% | 0.598 | S | S | * | * | trans | 56.2 | 79.3 | 154.7 | -81.8 | 161.7 | -32.2 | 0 | 0 | 116.7 | ||||
| 1648 | Q | 26.9 | Very low | 25 | Very low | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | trans | 84.7 | 147.3 | 144.7 | -51.4 | -158 | 17 | 0 | 0 | 116.9 | ||||
| 1649 | H | 23.1 | Very low | 25.2 | Very low | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | cis | -172.4 | -134.7 | -20.1 | -93 | 161.7 | 0 | 0 | 0 | 102.6 | E1663 | H1649-E1663 WeakPolarHBondContact CA-OE1 3.28Å; H1649-E1663 IonicContact CD2-OE1 3.76Å | ||
| 1650 | I | 23.8 | Very low | 26.9 | Very low | 105 Ų | 105 | 100.4 Ų | 100.4 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | 72.3 | 123.3 | 110.4 | -93 | 169.9 | 0 | 0 | 0 | 119.1 | S1652 | I1650-S1652 PolarHBondContact O-N 2.92Å; I1650-S1652 VanDerWaalsContact O-N 3.15Å | |||
| 1651 | Q | 22.8 | Very low | 28.1 | Very low | 149 Ų | 149 | 93.3 Ų | 93.3 | 70% | 0.696 | 53% | 0.529 | S | S | * | . | trans | 53.4 | 47.1 | 144.2 | -54.1 | 157.5 | 13.9 | 0 | 0 | 113.8 | ||||
| 1652 | S | 24.8 | Very low | 29 | Very low | 67 Ų | 67 | 94.8 Ų | 94.8 | 47% | 0.469 | 54% | 0.54 | S | S | . | . | 86.1 | 176.2 | 85.3 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | I1650 | I1650-S1652 PolarHBondContact O-N 2.92Å; I1650-S1652 VanDerWaalsContact O-N 3.15Å | |||
| 1653 | S | 37.5 | Very low | 29.6 | Very low | 58 Ų | 58 | 97.4 Ų | 97.4 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | trans | 45 | 102.7 | 152.8 | 54.9 | 0 | 0 | 0 | 0 | 118.1 | S1656 F1657 S1658 | S1653-S1656 WeakPolarHBondContact CA-O 3.34Å; S1653-S1656 WeakPolarHBondContact CB-O 3.49Å; S1653-F1657 PolarHBondContact N-O 2.92Å; S1653-F1657 VanDerWaalsContact N-O 3.16Å; S1653-S1658 VanDerWaalsContact CA-OG 3.31Å; S1653-S1658 WeakPolarHBondContact CA-OG 3.44Å; S1653-S1658 PolarHBondContact N-OG 3.06Å | ||
| 1654 | S | 24.3 | Very low | 29.8 | Very low | 102 Ų | 102 | 99 Ų | 99 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | S | Bend | -135.4 | 148.6 | 69.6 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | S1658 | S1654-S1658 VanDerWaalsContact O-CB 3.24Å; S1654-S1658 WeakPolarHBondContact O-CB 3.49Å; S1654-S1658 PolarHBondContact O-OG 3.45Å | |
| 1655 | L | 26.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 97.5 Ų | 97.5 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | S | Bend | cis | 53.3 | -142.6 | -20.5 | 80.7 | -154.1 | 0 | 0 | 0 | 115 | F1657 S1658 | L1655-F1657 HydrophobicContact CD2-CB 4.4Å; L1655-F1657 HydrophobicContact CD2-CD1 3.73Å; L1655-F1657 HydrophobicContact CD2-CE1 4.5Å; L1655-F1657 HydrophobicContact CD2-CG 4.48Å; L1655-S1658 WeakPolarHBondContact CD2-O 3.31Å; L1655-S1658 VanDerWaalsContact CG-O 3.23Å; L1655-S1658 WeakPolarHBondContact CG-O 3.15Å |
| 1656 | S | 19.3 | Very low | 30.4 | Very low | 88 Ų | 88 | 98.4 Ų | 98.4 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | S | Bend | cis | 48 | -144.1 | -0.5 | -38.7 | 0 | 0 | 0 | 0 | 115.7 | S1653 | S1653-S1656 WeakPolarHBondContact CA-O 3.34Å; S1653-S1656 WeakPolarHBondContact CB-O 3.49Å |
| 1657 | F | 26.7 | Very low | 30.2 | Very low | 166 Ų | 166 | 100 Ų | 100 | 73% | 0.728 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -44.7 | -73.1 | -161.8 | -45.8 | 107 | 0 | 0 | 0 | 122 | S1653 L1655 T1660 | S1653-F1657 PolarHBondContact N-O 2.92Å; S1653-F1657 VanDerWaalsContact N-O 3.16Å; L1655-F1657 HydrophobicContact CD2-CB 4.4Å; L1655-F1657 HydrophobicContact CD2-CD1 3.73Å; L1655-F1657 HydrophobicContact CD2-CE1 4.5Å; L1655-F1657 HydrophobicContact CD2-CG 4.48Å; F1657-T1660 HydrophobicContact CB-CG2 4.38Å |
| 1658 | S | 28.9 | Very low | 29.8 | Very low | 23 Ų | 23 | 98.4 Ų | 98.4 | 16% | 0.161 | 56% | 0.557 | C | S | . | * | cis | -145.4 | -67.3 | 46.1 | 32.3 | 0 | 0 | 0 | 0 | 120.8 | S1653 S1654 L1655 T1660 | S1653-S1658 VanDerWaalsContact CA-OG 3.31Å; S1653-S1658 WeakPolarHBondContact CA-OG 3.44Å; S1653-S1658 PolarHBondContact N-OG 3.06Å; S1654-S1658 VanDerWaalsContact O-CB 3.24Å; S1654-S1658 WeakPolarHBondContact O-CB 3.49Å; S1654-S1658 PolarHBondContact O-OG 3.45Å; L1655-S1658 WeakPolarHBondContact CD2-O 3.31Å; L1655-S1658 VanDerWaalsContact CG-O 3.23Å; L1655-S1658 WeakPolarHBondContact CG-O 3.15Å; S1658-T1660 PolarHBondContact OG-N 3.34Å | ||
| 1659 | T | 28.6 | Very low | 29.6 | Very low | 101 Ų | 101 | 99 Ų | 99 | 62% | 0.62 | 56% | 0.564 | S | S | * | * | -84.2 | 130.1 | 53.6 | 61 | 0 | 0 | 0 | 0 | 114.5 | S1661 | T1659-S1661 VanDerWaalsContact C-N 3.33Å; T1659-S1661 WeakPolarHBondContact CB-OG 3.46Å; T1659-S1661 PolarHBondContact OG1-OG 3.26Å | |||
| 1660 | T | 54.9 | Low | 29.4 | Very low | 98 Ų | 98 | 101.7 Ų | 101.7 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | cis | 63.7 | 20.4 | 45.4 | 82.6 | 0 | 0 | 0 | 0 | 115.1 | F1657 S1658 | F1657-T1660 HydrophobicContact CB-CG2 4.38Å; S1658-T1660 PolarHBondContact OG-N 3.34Å | ||
| 1661 | S | 45.4 | Very low | 29.7 | Very low | 73 Ų | 73 | 102.3 Ų | 102.3 | 51% | 0.51 | 59% | 0.588 | S | S | . | * | trans | -149 | 101.5 | -173.6 | 55 | 0 | 0 | 0 | 0 | 114.9 | T1659 | T1659-S1661 VanDerWaalsContact C-N 3.33Å; T1659-S1661 WeakPolarHBondContact CB-OG 3.46Å; T1659-S1661 PolarHBondContact OG1-OG 3.26Å | ||
| 1662 | S | 42.3 | Very low | 29.6 | Very low | 99 Ų | 99 | 98.1 Ų | 98.1 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | 41.8 | 149.3 | 112.4 | 64.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1663 | E | 35.7 | Very low | 29.3 | Very low | 108 Ų | 108 | 103.9 Ų | 103.9 | 51% | 0.505 | 60% | 0.604 | S | S | . | * | cis | -172.8 | 172.8 | -30.4 | -134.1 | 169 | 157.2 | 0 | 0 | 108.8 | H1649 | H1649-E1663 WeakPolarHBondContact CA-OE1 3.28Å; H1649-E1663 IonicContact CD2-OE1 3.76Å | ||
| 1664 | S | 30.6 | Very low | 28.6 | Very low | 82 Ų | 82 | 104.4 Ų | 104.4 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | trans | 67.1 | 135.7 | 142.5 | 78.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1665 | D | 31.2 | Very low | 28.4 | Very low | 78 Ų | 78 | 105.3 Ų | 105.3 | 42% | 0.417 | 61% | 0.614 | S | S | . | * | 87.9 | 157.4 | 129.3 | -77.7 | 5.2 | 0 | 0 | 0 | 121.6 | N1646 | N1646-D1665 WeakPolarHBondContact CA-OD1 3.48Å; N1646-D1665 PolarHBondContact N-OD1 3.27Å | |||
| 1666 | I | 28.2 | Very low | 28.1 | Very low | 70 Ų | 70 | 106.9 Ų | 106.9 | 36% | 0.359 | 62% | 0.618 | S | S | . | * | cis | 177.8 | 158.9 | -28.1 | -153.8 | 166.1 | 0 | 0 | 0 | 103.2 | V1645 N1646 | V1645-I1666 HydrophobicContact CB-CG1 4.23Å; V1645-I1666 HydrophobicContact CG1-CG1 4.27Å; V1645-I1666 HydrophobicContact CG2-CB 4.33Å; V1645-I1666 HydrophobicContact CG2-CG1 3.79Å; N1646-I1666 HydrophobicContact CB-CD1 4.08Å | ||
| 1667 | I | 23.9 | Very low | 28.1 | Very low | 114 Ų | 114 | 108.8 Ų | 108.8 | 59% | 0.585 | 62% | 0.617 | S | S | * | * | trans | 39.4 | 107.5 | 150.4 | -76.4 | 163.4 | 0 | 0 | 0 | 117.2 | ||||
| 1668 | V | 20.2 | Very low | 27.8 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | 55.5 | 115.8 | 88 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1669 | N | 22.9 | Very low | 27.4 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | -170.3 | 143.7 | 127.8 | -98.3 | -33.1 | 0 | 0 | 0 | 114.6 | |||||
| 1670 | E | 18 | Very low | 27 | Very low | 170 Ų | 170 | 117.6 Ų | 117.6 | 79% | 0.794 | 65% | 0.647 | S | S | * | * | trans | -43.8 | -178.1 | 143.2 | -79.5 | -174.5 | 140.2 | 0 | 0 | 115.4 | ||||
| 1671 | P | 30.8 | Very low | 25.5 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | cis | -134 | -160.2 | -30.2 | 32.1 | -11.7 | 0 | 0 | 0 | 111.2 | ||||
| 1672 | G | 20.2 | Very low | 24.3 | Very low | 60 Ų | 60 | 119.8 Ų | 119.8 | 62% | 0.619 | 64% | 0.636 | S | S | * | * | 106.5 | 91.1 | 112.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1673 | E | 20 | Very low | 23.4 | Very low | 189 Ų | 189 | 118.9 Ų | 118.9 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | 63.6 | 175.8 | 129.3 | -61.3 | -174.1 | 161.6 | 0 | 0 | 121.7 | I1675 | E1673-I1675 HydrophobicContact CB-CD1 4.45Å; E1673-I1675 HydrophobicContact CG-CD1 4.47Å | |||
| 1674 | G | 23 | Very low | 22.8 | Very low | 69 Ų | 69 | 116.2 Ų | 116.2 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | trans | 89.8 | 88.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1675 | I | 18.9 | Very low | 22.4 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | cis | 71.2 | 116.6 | 21.4 | -56.6 | 179.1 | 0 | 0 | 0 | 113.8 | E1673 | E1673-I1675 HydrophobicContact CB-CD1 4.45Å; E1673-I1675 HydrophobicContact CG-CD1 4.47Å | ||
| 1676 | E | 19.5 | Very low | 22 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | trans | 66.4 | 164.1 | 164.6 | -73.3 | 174.9 | -135.8 | 0 | 0 | 116.7 | ||||
| 1677 | Q | 20.4 | Very low | 21.6 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | cis | -158.9 | 169 | 18.1 | -141.1 | 157.7 | 55 | 0 | 0 | 112.4 | ||||
| 1678 | Y | 20.1 | Very low | 21.5 | Very low | 198 Ų | 198 | 120.2 Ų | 120.2 | 78% | 0.776 | 63% | 0.626 | S | S | * | * | trans | 66 | 124.8 | 160.2 | -64.5 | -56.1 | 0 | 0 | 0 | 124.7 | ||||
| 1679 | H | 20 | Very low | 21.6 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 79% | 0.792 | 63% | 0.628 | S | S | * | * | trans | -59.6 | 144.7 | 146.4 | -54.6 | -102.4 | 0 | 0 | 0 | 112 | ||||
| 1680 | N | 21.3 | Very low | 21.5 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 57% | 0.567 | 63% | 0.629 | S | S | * | * | -168.3 | 173.4 | 111.3 | -114.5 | -63.9 | 0 | 0 | 0 | 117.4 | |||||
| 1681 | R | 22.5 | Very low | 21.8 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | trans | -62.5 | 138.1 | 169.6 | -88 | 175.7 | 169.5 | -133.5 | 11 | 115 | R1237 | R1237-R1681 PolarHBondContact O-NH1 2.89Š| ||
| 1682 | E | 20.8 | Very low | 21.4 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 30% | 0.304 | 62% | 0.622 | S | S | . | * | 73.5 | 148.8 | 127.7 | -59.6 | -177.9 | 111.3 | 0 | 0 | 122.1 | H1236 R1237 | H1236-E1682 VanDerWaalsContact CA-OE1 3.29Å; H1236-E1682 WeakPolarHBondContact CA-OE1 3.37Å; H1236-E1682 HydrophobicContact CB-CB 3.79Å; H1236-E1682 HydrophobicContact CB-CG 4.28Å; H1236-E1682 IonicContact CE1-OE1 3.49Å; H1236-E1682 IonicContact CG-OE1 2.66Å; H1236-E1682 WeakPolarHBondContact ND1-CG 3.44Å; H1236-E1682 IonicContact ND1-OE1 2.66Å; H1236-E1682 PolarHBondContact ND1-OE1 2.78Å; R1237-E1682 VanDerWaalsContact N-CD 3.34Å; R1237-E1682 PolarHBondContact N-OE1 3.08Å; R1237-E1682 PolarHBondContact N-OE2 3.05Å | |||
| 1683 | S | 23.9 | Very low | 21.8 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 56% | 0.559 | 63% | 0.63 | S | S | * | * | trans | 70.3 | 130.8 | 174.3 | 66.7 | 0 | 0 | 0 | 0 | 117.3 | H1236 | H1236-S1683 PolarHBondContact CD2-N 3.41Å; H1236-S1683 VanDerWaalsContact CD2-N 3.33Å | ||
| 1684 | S | 22.8 | Very low | 22 | Very low | 53 Ų | 53 | 126.5 Ų | 126.5 | 37% | 0.371 | 62% | 0.622 | S | S | . | * | cis | 86.2 | 140 | 29.6 | -58.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1685 | F | 22.2 | Very low | 22 | Very low | 64 Ų | 64 | 132.1 Ų | 132.1 | 28% | 0.281 | 63% | 0.63 | S | S | . | * | trans | 68.1 | 144.7 | -165.9 | -60 | -76.1 | 0 | 0 | 0 | 113.9 | Q1234 | Q1234-F1685 HydrophobicContact CB-CD2 4.31Å; Q1234-F1685 HydrophobicContact CB-CE2 3.69Å; Q1234-F1685 HydrophobicContact CB-CZ 4.16Å | ||
| 1686 | R | 23.1 | Very low | 22.1 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 54% | 0.543 | 64% | 0.643 | S | S | . | * | cis | -160.2 | 157.1 | 11.3 | -140.4 | -163.5 | -166.1 | -126.9 | 8.8 | 109.7 | ||||
| 1687 | N | 19.8 | Very low | 22.3 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | trans | 58 | 163.5 | 144.6 | -79.1 | 32.2 | 0 | 0 | 0 | 120 | ||||
| 1688 | D | 20.6 | Very low | 22.5 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | cis | -151.8 | 165.3 | -0.5 | -111.8 | -27.9 | 0 | 0 | 0 | 112.7 | ||||
| 1689 | Y | 23 | Very low | 22.6 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | trans | 15.7 | 123.4 | 164.1 | -65.2 | -87.8 | 0 | 0 | 0 | 124.7 | ||||
| 1690 | L | 20.4 | Very low | 22.6 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | 20 | 137.1 | 116.7 | -78.5 | 157.2 | 0 | 0 | 0 | 119 | |||||
| 1691 | P | 25.4 | Very low | 22.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | -149.6 | -178.5 | 71.3 | 41.3 | -23.2 | 0 | 0 | 0 | 117.4 | |||||
| 1692 | T | 21.3 | Very low | 22.6 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | trans | 33.4 | 116.8 | 155.6 | 43.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1693 | R | 28.9 | Very low | 22.7 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | 88.7 | 132 | 71 | -173 | -167.8 | -168.2 | -140.8 | 9.2 | 112.3 | |||||
| 1694 | Q | 24.5 | Very low | 22.5 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | 78.8 | 129.1 | 176.5 | -77.6 | 165.7 | -49.5 | 0 | 0 | 118.8 | ||||
| 1695 | Q | 22.7 | Very low | 22.5 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | 67.3 | 168.6 | 148.1 | -73.9 | 175.8 | -42.4 | 0 | 0 | 120.6 | ||||
| 1696 | Q | 21.8 | Very low | 23.5 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -129.1 | 119.5 | -162.4 | -60.5 | 164.2 | -47.8 | 0 | 0 | 109.6 | ||||
| 1697 | S | 23 | Very low | 23.5 | Very low | 109 Ų | 109 | 151 Ų | 151 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -175.5 | 168.1 | 164.2 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1698 | E | 24.8 | Very low | 23.7 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 66 | 113.8 | 153.8 | -49.4 | -143.6 | 154.3 | 0 | 0 | 121.5 | ||||
| 1699 | D | 22.1 | Very low | 23.7 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | 50.1 | 140.5 | 112.3 | -65.3 | -78.8 | 0 | 0 | 0 | 126.2 | |||||
| 1700 | Y | 19.2 | Very low | 23.7 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | trans | 57.6 | 116.7 | 140.3 | -85 | -114.2 | 0 | 0 | 0 | 124 | ||||
| 1701 | R | 21.4 | Very low | 23.7 | Very low | 204 Ų | 204 | 151 Ų | 151 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 78.2 | 129.1 | 131.2 | -85.6 | -173.1 | 175.2 | -177.1 | -3.5 | 123.5 | ||||
| 1702 | R | 22.3 | Very low | 23.6 | Very low | 212 Ų | 212 | 154.1 Ų | 154.1 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 84.1 | 152.7 | 132.7 | -163.5 | -162.3 | -90.5 | -128.2 | 1.1 | 119.3 | ||||
| 1703 | T | 23.5 | Very low | 23.7 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 116.3 | 169.2 | 153.6 | 68.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1704 | E | 20.1 | Very low | 23.3 | Very low | 177 Ų | 177 | 157.1 Ų | 157.1 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -142.8 | 175.5 | -147.2 | -58.1 | 164.9 | 103.5 | 0 | 0 | 113.4 | ||||
| 1705 | S | 23.6 | Very low | 23.9 | Very low | 117 Ų | 117 | 159.3 Ų | 159.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 90.8 | 174.5 | 151.4 | 90.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1706 | P | 42.2 | Very low | 24.2 | Very low | 104 Ų | 104 | 155.1 Ų | 155.1 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | -136.1 | -164.1 | -118.9 | 28.8 | -1.4 | 0 | 0 | 0 | 117 | |||||
| 1707 | I | 23.2 | Very low | 24.7 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 54% | 0.538 | 74% | 0.742 | S | S | . | * | trans | 123.1 | 122.7 | 144.4 | -65.2 | 165.9 | 0 | 0 | 0 | 121.6 | ||||
| 1708 | K | 23.8 | Very low | 25.5 | Very low | 155 Ų | 155 | 158.3 Ų | 158.3 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | trans | 60.6 | 115.3 | 147 | -71.6 | 165.9 | -161.1 | 166.1 | 0 | 126.8 | ||||
| 1709 | S | 19.6 | Very low | 26.3 | Very low | 60 Ų | 60 | 152.7 Ų | 152.7 | 42% | 0.42 | 72% | 0.724 | S | S | . | * | 58.3 | 167 | 115.3 | 77.1 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 1710 | F | 23.8 | Very low | 26.5 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | trans | 86.6 | 163.7 | 174.2 | -70.8 | -99.3 | 0 | 0 | 0 | 119.3 | ||||
| 1711 | K | 21.2 | Very low | 26.9 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | -179.8 | 163.4 | -53.9 | -128.7 | 178 | -178.3 | 178.5 | 0 | 110.1 | |||||
| 1712 | Q | 23.4 | Very low | 27.1 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | 83.9 | 120.7 | 172.8 | -59.8 | -178.9 | -18.4 | 0 | 0 | 117.6 | ||||
| 1713 | K | 22.5 | Very low | 27.7 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | 69.8 | 130.2 | 89.5 | -67 | -175.2 | 174.6 | -175.3 | 0 | 114.2 | |||||
| 1714 | Y | 21.7 | Very low | 27.5 | Very low | 219 Ų | 219 | 138.2 Ų | 138.2 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | cis | -136.5 | -153.1 | 36.8 | -83 | -91.5 | 0 | 0 | 0 | 114.9 | ||||
| 1715 | K | 36.6 | Very low | 27.5 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | trans | -109.7 | -177 | -173.7 | -56.5 | -179.9 | 176.4 | -179.7 | 0 | 112.1 | ||||
| 1716 | S | 28.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | cis | -158.3 | 166.6 | 13.6 | -30.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1717 | H | 32.9 | Very low | 26.3 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | trans | 21.1 | 108.6 | 152.4 | -60.2 | -63.5 | 0 | 0 | 0 | 125 | ||||
| 1718 | K | 40.2 | Very low | 26.4 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | 54.5 | 152.7 | 127.6 | -76.6 | -171.8 | 173.6 | -173.5 | 0 | 122.9 | |||||
| 1719 | P | 41.3 | Very low | 26.3 | Very low | 51 Ų | 51 | 140.7 Ų | 140.7 | 33% | 0.331 | 72% | 0.721 | S | S | . | * | cis | -135.3 | -173.1 | -43.2 | 27.8 | -3.7 | 0 | 0 | 0 | 117.7 | H710 K711 L712 | H710-P1719 WeakPolarHBondContact O-CG 3.28Å; K711-P1719 HydrophobicContact CB-CB 3.91Å; K711-P1719 HydrophobicContact CB-CG 3.98Å; K711-P1719 WeakPolarHBondContact CD-O 3.39Å; L712-P1719 HydrophobicContact CB-CB 3.74Å; L712-P1719 HydrophobicContact CD1-CB 3.7Å; L712-P1719 HydrophobicContact CG-CB 4.33Å | ||
| 1720 | S | 26.3 | Very low | 26.4 | Very low | 63 Ų | 63 | 145.3 Ų | 145.3 | 44% | 0.441 | 74% | 0.738 | S | S | . | * | trans | -86.7 | -93.8 | -145 | 57.5 | 0 | 0 | 0 | 0 | 126.7 | K711 P713 | K711-S1720 WeakPolarHBondContact CD-O 3.31Å; K711-S1720 WeakPolarHBondContact CE-O 3.35Å; K711-S1720 PolarHBondContact NZ-O 3.15Å; P713-S1720 VanDerWaalsContact CD-OG 3.27Å; P713-S1720 WeakPolarHBondContact CD-OG 3.49Å | ||
| 1721 | N | 26.1 | Very low | 26.5 | Very low | 88 Ų | 88 | 144 Ų | 144 | 47% | 0.471 | 73% | 0.734 | S | S | . | * | trans | 30.8 | 132.8 | -166.8 | -77.2 | 21.3 | 0 | 0 | 0 | 123.1 | K711 P713 | K711-N1721 HydrophobicContact CD-CB 4.23Å; K711-N1721 HydrophobicContact CG-CB 3.63Å; K711-N1721 PolarHBondContact NZ-O 3.45Å; P713-N1721 WeakPolarHBondContact CD-OD1 3.37Å | ||
| 1722 | S | 27.5 | Very low | 26.4 | Very low | 113 Ų | 113 | 143.8 Ų | 143.8 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 57.1 | 129.3 | 172.9 | 53.8 | 0 | 0 | 0 | 0 | 117 | ||
| 1723 | P | 33.7 | Very low | 26.1 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -89.3 | 135.5 | -176.7 | 34.8 | -33.1 | 0 | 0 | 0 | 112.9 | ||||
| 1724 | L | 19.4 | Very low | 26.1 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | -169.7 | 177.2 | 152 | -110.7 | 167.4 | 0 | 0 | 0 | 110.1 | ||||
| 1725 | L | 21.1 | Very low | 26 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | trans | -63.3 | 140.4 | -176 | -87.1 | 59.6 | 0 | 0 | 0 | 113.6 | ||||
| 1726 | S | 20.7 | Very low | 25.2 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -159.2 | 130.4 | 130.3 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | H1728 | S1726-H1728 PolarHBondContact OG-O 3.16Š| ||
| 1727 | S | 19.2 | Very low | 24.9 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -123.1 | 145.8 | 131.5 | -177.4 | 0 | 0 | 0 | 0 | 105.8 | ||
| 1728 | H | 25.4 | Very low | 24.2 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 75% | 0.75 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 76.3 | 145.1 | -172.5 | -51.5 | -90.4 | 0 | 0 | 0 | 117.1 | S1726 | S1726-H1728 PolarHBondContact OG-O 3.16Š|
| 1729 | H | 20.7 | Very low | 23.2 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 86% | 0.856 | 67% | 0.667 | S | S | * | * | trans | 73.4 | 164.9 | 173 | -86.3 | -63.1 | 0 | 0 | 0 | 121.6 | ||||
| 1730 | M | 23.3 | Very low | 22.2 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -96.6 | 176.8 | -159.8 | -59.5 | -74.6 | -158.9 | 0 | 0 | 112.2 | ||||
| 1731 | H | 24.4 | Very low | 21.8 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | -179.4 | 125.9 | 117.4 | -104.4 | -129.9 | 0 | 0 | 0 | 110.3 | S1734 | H1731-S1734 PolarHBondContact CD2-OG 3.3Å; H1731-S1734 WeakPolarHBondContact CE1-CB 3.11Å; H1731-S1734 PolarHBondContact CE1-O 3.11Å; H1731-S1734 PolarHBondContact CE1-OG 2.81Å; H1731-S1734 PolarHBondContact ND1-O 3.41Å; H1731-S1734 PolarHBondContact ND1-OG 3.06Å; H1731-S1734 PolarHBondContact NE2-OG 2.82Å | |||
| 1732 | E | 19.6 | Very low | 21.6 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -100.2 | -124.1 | 147.7 | -169.6 | -160.8 | -139 | 0 | 0 | 105.3 | S1734 | E1732-S1734 VanDerWaalsContact C-N 3.29Å; E1732-S1734 PolarHBondContact O-N 3.4Å |
| 1733 | N | 17.5 | Very low | 21.3 | Very low | 107 Ų | 107 | 134 Ų | 134 | 57% | 0.572 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -63.3 | 87.6 | 153.8 | -76.2 | -21.5 | 0 | 0 | 0 | 110.8 | H1735 | N1733-H1735 PolarHBondContact OD1-CE1 3.25Š|
| 1734 | S | 21.9 | Very low | 20.7 | Very low | 47 Ų | 47 | 134.2 Ų | 134.2 | 33% | 0.329 | 71% | 0.708 | S | S | . | * | -112.8 | 111.4 | 127.7 | 6.7 | 0 | 0 | 0 | 0 | 105.7 | H1731 E1732 | H1731-S1734 PolarHBondContact CD2-OG 3.3Å; H1731-S1734 WeakPolarHBondContact CE1-CB 3.11Å; H1731-S1734 PolarHBondContact CE1-O 3.11Å; H1731-S1734 PolarHBondContact CE1-OG 2.81Å; H1731-S1734 PolarHBondContact ND1-O 3.41Å; H1731-S1734 PolarHBondContact ND1-OG 3.06Å; H1731-S1734 PolarHBondContact NE2-OG 2.82Å; E1732-S1734 VanDerWaalsContact C-N 3.29Å; E1732-S1734 PolarHBondContact O-N 3.4Å | |||
| 1735 | H | 20.6 | Very low | 20.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 64% | 0.644 | 70% | 0.699 | S | S | * | * | cis | 56.7 | 169.1 | 28.1 | -59.3 | 15.2 | 0 | 0 | 0 | 112.9 | N1733 | N1733-H1735 PolarHBondContact OD1-CE1 3.25Š| ||
| 1736 | S | 19.1 | Very low | 20.6 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 57% | 0.573 | 69% | 0.693 | S | S | * | * | trans | 55.8 | 93.5 | 162 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1737 | Q | 21.9 | Very low | 20.6 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 67% | 0.673 | 69% | 0.694 | S | S | * | * | S | Bend | 33.5 | 126.3 | 60.4 | -54.2 | -179.2 | -61.9 | 0 | 0 | 112.3 | N1739 | Q1737-N1739 HydrophobicContact CB-CB 4.47Å; Q1737-N1739 PolarHBondContact O-N 2.86Å; Q1737-N1739 PolarHBondContact OE1-ND2 3.29Å | |
| 1738 | P | 19.1 | Very low | 20.7 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -68.3 | 82.4 | 160.5 | 30.8 | -33.1 | 0 | 0 | 0 | 109.6 | ||
| 1739 | N | 18.7 | Very low | 20.7 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | trans | -126.8 | 111.1 | 166.8 | -81.6 | -33.2 | 0 | 0 | 0 | 106.2 | Q1737 | Q1737-N1739 HydrophobicContact CB-CB 4.47Å; Q1737-N1739 PolarHBondContact O-N 2.86Å; Q1737-N1739 PolarHBondContact OE1-ND2 3.29Å | ||
| 1740 | I | 19.1 | Very low | 20.7 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | 64.8 | 139 | 56.4 | -57.8 | -175.7 | 0 | 0 | 0 | 111.8 | |||||
| 1741 | L | 19.5 | Very low | 20.6 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | trans | -20.2 | 144.3 | -178.6 | -81.5 | 69.5 | 0 | 0 | 0 | 118.5 | ||||
| 1742 | K | 21.1 | Very low | 20.5 | Very low | 170 Ų | 170 | 128 Ų | 128 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | trans | 44.2 | 149.8 | 130 | -55.3 | -178.5 | -175.1 | 176.6 | 0 | 120.4 | ||||
| 1743 | N | 20.7 | Very low | 20.7 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | 75.3 | 144 | 156.3 | -62.5 | -5.3 | 0 | 0 | 0 | 114.3 | ||||
| 1744 | V | 21.6 | Very low | 21 | Very low | 130 Ų | 130 | 127 Ų | 127 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | S | Bend | 56.4 | 139.4 | 91.3 | -162.9 | 0 | 0 | 0 | 0 | 113.4 | |||
| 1745 | C | 20.5 | Very low | 21.3 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -39.4 | 157.6 | -175.2 | -49.5 | 0 | 0 | 0 | 0 | 118 | ||
| 1746 | N | 19 | Very low | 21.4 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 86.6 | 149.3 | 162.1 | -48 | -14.5 | 0 | 0 | 0 | 116.4 | ||||
| 1747 | D | 20.2 | Very low | 21.9 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | trans | 60.2 | 158.9 | 147.5 | -57.2 | -21.6 | 0 | 0 | 0 | 118.1 | ||||
| 1748 | N | 21.2 | Very low | 22 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 74% | 0.735 | S | S | * | * | cis | -165.2 | -177.3 | -30.8 | -98.6 | -38.9 | 0 | 0 | 0 | 104.3 | ||||
| 1749 | Q | 24.1 | Very low | 22.2 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 68.3 | 155.7 | 160 | -72.6 | 160.8 | -36.8 | 0 | 0 | 115.6 | ||||
| 1750 | D | 21.7 | Very low | 22.5 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | cis | -146.8 | 165.4 | 1.1 | -122 | -22.5 | 0 | 0 | 0 | 112.1 | ||||
| 1751 | N | 21.3 | Very low | 23.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 77.9 | 133.9 | 167.4 | -61.1 | -52.3 | 0 | 0 | 0 | 118.7 | ||||
| 1752 | T | 21.8 | Very low | 23.5 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | cis | -141.5 | 152 | -0.9 | 30.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1753 | D | 23.6 | Very low | 23.6 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 70.4 | 82.6 | 146.7 | -57.4 | -6.4 | 0 | 0 | 0 | 122.2 | ||||
| 1754 | T | 24.1 | Very low | 23.6 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | 80.3 | 146.5 | 121.5 | -20.9 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1755 | V | 28.9 | Very low | 23.6 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 90.4 | 136.2 | 159.9 | -167.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1756 | D | 22.1 | Very low | 23.8 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -69.6 | 170.5 | -178.8 | -49.5 | -99.9 | 0 | 0 | 0 | 116.2 | ||||
| 1757 | G | 30.1 | Very low | 23.8 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | 96.1 | 138 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1758 | K | 23.6 | Very low | 24.3 | Very low | 197 Ų | 197 | 129 Ų | 129 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | cis | 55.7 | 104 | 41.6 | -58.7 | -173.3 | 179.2 | 177.4 | 0 | 113.2 | ||||
| 1759 | H | 23.9 | Very low | 25.5 | Very low | 173 Ų | 173 | 128.7 Ų | 128.7 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | trans | 89 | 111.5 | 167.5 | -54.2 | -84.3 | 0 | 0 | 0 | 120 | ||||
| 1760 | S | 23.6 | Very low | 25.3 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | 61.8 | -169 | 142 | -41.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1761 | P | 36.3 | Very low | 25.3 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | cis | -135.4 | 164.2 | -21.6 | 36.1 | -17.9 | 0 | 0 | 0 | 116.9 | ||||
| 1762 | V | 23.4 | Very low | 25.3 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | trans | 73 | 151.3 | 139.2 | 161.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1763 | N | 24 | Very low | 25.4 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | 73.6 | 138.5 | 172.3 | -71.2 | -25.6 | 0 | 0 | 0 | 118.9 | ||||
| 1764 | S | 21 | Very low | 25.2 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | S | Bend | cis | -118.1 | 121.6 | 0.2 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1765 | S | 20.7 | Very low | 25 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -102.6 | 84.2 | -36.5 | 59.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 1766 | S | 25.9 | Very low | 24.6 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 50% | 0.497 | 74% | 0.737 | S | S | . | * | trans | 52.5 | 68.5 | 166.8 | -173.2 | 0 | 0 | 0 | 0 | 116 | P1768 | S1766-P1768 WeakPolarHBondContact O-CD 3.23Š| ||
| 1767 | Y | 18.2 | Very low | 24.4 | Very low | 223 Ų | 223 | 136.5 Ų | 136.5 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | trans | -113.5 | 65.2 | 168.5 | -89 | -81.9 | 0 | 0 | 0 | 115 | ||||
| 1768 | P | 30.5 | Very low | 24 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | trans | -77.8 | 176.4 | 137.9 | 37.7 | -29.8 | 0 | 0 | 0 | 110.2 | S1766 | S1766-P1768 WeakPolarHBondContact O-CD 3.23Š| ||
| 1769 | P | 46.9 | Very low | 24.2 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -94.6 | -179 | -175.3 | 38.9 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 1770 | L | 19.4 | Very low | 24.1 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -129.5 | 131.9 | 151.4 | -89.3 | 176.5 | 0 | 0 | 0 | 110.9 | ||||
| 1771 | P | 22.5 | Very low | 24.4 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -82.4 | 134.5 | 158.5 | 33.2 | -30.1 | 0 | 0 | 0 | 110 | ||||
| 1772 | H | 20.9 | Very low | 24.2 | Very low | 169 Ų | 169 | 147 Ų | 147 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | trans | -140.9 | 146.7 | 161.8 | -100.6 | 30.5 | 0 | 0 | 0 | 107.9 | ||||
| 1773 | Q | 24.8 | Very low | 24.2 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 59.1 | 78.4 | -176.9 | -59 | 176.9 | 1.7 | 0 | 0 | 111.6 | ||||
| 1774 | Q | 19.3 | Very low | 24.5 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | 64.3 | 126.3 | 50.1 | -150.4 | -165.2 | 9.2 | 0 | 0 | 112.5 | |||||
| 1775 | N | 19 | Very low | 24.5 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | trans | 80 | 140.1 | 161.3 | -66.9 | -17.7 | 0 | 0 | 0 | 121.4 | ||||
| 1776 | H | 20.8 | Very low | 24.5 | Very low | 157 Ų | 157 | 157.2 Ų | 157.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 55.6 | 119.9 | 153.2 | -62.6 | -52.8 | 0 | 0 | 0 | 120 | ||||
| 1777 | Y | 17.6 | Very low | 24.3 | Very low | 205 Ų | 205 | 162.2 Ų | 162.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 79.2 | 128 | 64.8 | -100 | -85.6 | 0 | 0 | 0 | 114.3 | |||||
| 1778 | Q | 21.6 | Very low | 24.3 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 150 | 162.3 | -58.6 | -150.1 | -39.5 | 0 | 0 | 120.1 | ||||
| 1779 | D | 28.7 | Very low | 24 | Very low | 152 Ų | 152 | 160.3 Ų | 160.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -65.2 | 143.3 | -179.9 | -49.7 | -107.1 | 0 | 0 | 0 | 113 | ||||
| 1780 | E | 22.1 | Very low | 22.7 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | -145.7 | 165.3 | 125 | -131.9 | -173 | -170.5 | 0 | 0 | 111.6 | |||||
| 1781 | R | 28.9 | Very low | 22.8 | Very low | 233 Ų | 233 | 158.8 Ų | 158.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -98.1 | 155.4 | -170.9 | -95.4 | -178.6 | 169.6 | -177.7 | -3.2 | 112.9 | ||||
| 1782 | P | 32.1 | Very low | 22.8 | Very low | 123 Ų | 123 | 159.7 Ų | 159.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -81.2 | 158.2 | -163.5 | 32.9 | -37.6 | 0 | 0 | 0 | 114.5 | ||||
| 1783 | R | 23.2 | Very low | 22.7 | Very low | 242 Ų | 242 | 160.3 Ų | 160.3 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -127 | 148.2 | 161.2 | -72.3 | -170.9 | 178.3 | -134.9 | 1.9 | 110.7 | ||||
| 1784 | P | 31.3 | Very low | 22.6 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -89.2 | 155.6 | 176.3 | 36.2 | -34.2 | 0 | 0 | 0 | 112 | ||||
| 1785 | I | 21.1 | Very low | 22.6 | Very low | 161 Ų | 161 | 154 Ų | 154 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -146.3 | 133 | 136.1 | -98 | 146 | 0 | 0 | 0 | 106.4 | E1787 | I1785-E1787 HydrophobicContact CG2-CB 4.42Š| ||
| 1786 | V | 20.7 | Very low | 22.7 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -102.7 | 120.5 | 164.4 | 171.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1787 | E | 20.7 | Very low | 22.8 | Very low | 177 Ų | 177 | 156.2 Ų | 156.2 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -129.9 | 138.8 | 163.2 | -153.2 | 172 | -129.1 | 0 | 0 | 109.9 | I1785 | I1785-E1787 HydrophobicContact CG2-CB 4.42Š| ||
| 1788 | S | 18.6 | Very low | 22.9 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 132.6 | -174.9 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1789 | I | 24.3 | Very low | 23.1 | Very low | 174 Ų | 174 | 149.3 Ų | 149.3 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 121.6 | 166.6 | -55.2 | 178.8 | 0 | 0 | 0 | 108.2 | ||
| 1790 | S | 20.1 | Very low | 22.8 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 137 | -175.7 | -60.3 | 0 | 0 | 0 | 0 | 114 | ||
| 1791 | N | 20.7 | Very low | 22.9 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 70.8 | 165.5 | 147.6 | -64.7 | -2.8 | 0 | 0 | 0 | 120.6 | ||||
| 1792 | D | 22.5 | Very low | 22.5 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | trans | 65.3 | 119.5 | 170.5 | -55.8 | -15.1 | 0 | 0 | 0 | 116.9 | ||||
| 1793 | L | 19.1 | Very low | 22.1 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 96% | 0.958 | 74% | 0.737 | S | S | * | * | cis | 65 | 24.6 | 0.9 | -114.8 | -177 | 0 | 0 | 0 | 118.2 | ||||
| 1794 | S | 21.5 | Very low | 22 | Very low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -147.4 | 79.5 | 155.4 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1795 | S | 21.1 | Very low | 21.4 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -127.6 | 53.9 | 155.7 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1796 | L | 19.5 | Very low | 21.4 | Very low | 148 Ų | 148 | 121.6 Ų | 121.6 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -64.3 | 140.4 | 159.5 | -93.9 | 157.2 | 0 | 0 | 0 | 109 | ||||
| 1797 | E | 22.6 | Very low | 21.3 | Very low | 174 Ų | 174 | 120.3 Ų | 120.3 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 46.6 | 104.1 | 156.2 | -57.7 | -174.6 | 160.8 | 0 | 0 | 118.8 | ||||
| 1798 | S | 21.6 | Very low | 21.1 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | -175.9 | 123.8 | 99.4 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1799 | V | 24.3 | Very low | 21.1 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 90% | 0.903 | 70% | 0.701 | S | S | * | * | trans | -136.7 | 135.2 | 156.2 | 179 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1800 | T | 22.9 | Very low | 20.8 | Very low | 53 Ų | 53 | 123 Ų | 123 | 33% | 0.325 | 70% | 0.702 | S | S | . | * | trans | -117.6 | 126.1 | -166.5 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | T2635 P2636 | T1800-T2635 WeakPolarHBondContact O-CB 3.49Å; T1800-T2635 WeakPolarHBondContact O-CG2 3.12Å; T1800-P2636 VanDerWaalsContact CB-O 3.24Å; T1800-P2636 WeakPolarHBondContact CB-O 3.38Å; T1800-P2636 WeakPolarHBondContact CG2-O 3.06Å; T1800-P2636 PolarHBondContact OG1-O 2.73Å | ||
| 1801 | S | 25.1 | Very low | 20.8 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | trans | -174.7 | 123 | 167.8 | 49.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1802 | Q | 20.3 | Very low | 21.3 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 59% | 0.589 | 70% | 0.7 | S | S | * | * | cis | 67.8 | 117.3 | 44.9 | -60 | -153.9 | 18.6 | 0 | 0 | 115.5 | ||||
| 1803 | Q | 22.1 | Very low | 21.3 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 49% | 0.491 | 70% | 0.701 | S | S | . | * | trans | 84.2 | 149.2 | 161.6 | -60.2 | -178.6 | -3.4 | 0 | 0 | 121.2 | ||||
| 1804 | T | 23 | Very low | 21.3 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 64% | 0.638 | 69% | 0.693 | S | S | * | * | trans | 78.1 | 90 | 162.3 | 43.8 | 0 | 0 | 0 | 0 | 121.7 | L2687 | T1804-L2687 CarbonylContact C-O 3.56Å; T1804-L2687 WeakPolarHBondContact CA-O 3.1Å; T1804-L2687 PolarHBondContact N-O 2.98Å; T1804-L2687 VanDerWaalsContact N-O 3.13Å; T1804-L2687 WeakPolarHBondContact O-CD2 3.18Å | ||
| 1805 | V | 18.5 | Very low | 21.5 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 49% | 0.491 | 70% | 0.697 | S | S | . | * | 48.6 | 134.4 | 110.8 | 176.9 | 0 | 0 | 0 | 0 | 118 | L2687 | V1805-L2687 PolarHBondContact N-O 3.06Š| |||
| 1806 | C | 20.4 | Very low | 21.6 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 55% | 0.554 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -53.4 | 142.4 | -179.5 | -72.9 | 0 | 0 | 0 | 0 | 115.6 | H2688 | C1806-H2688 PolarHBondContact SG-CD2 2.96Š|
| 1807 | S | 18 | Very low | 21.7 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | 68.6 | 113 | 153.5 | -57.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1808 | L | 17.5 | Very low | 21.6 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | -155.8 | 151.2 | 117.9 | -110.4 | 165.4 | 0 | 0 | 0 | 111.4 | |||||
| 1809 | N | 18.5 | Very low | 21.8 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -74.9 | 137.2 | 159.1 | -68.6 | -46.4 | 0 | 0 | 0 | 107.5 | ||||
| 1810 | E | 18.6 | Very low | 21.6 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 90% | 0.897 | 70% | 0.699 | S | S | * | * | trans | -142 | 119.4 | 151.8 | -140.6 | 152.9 | -132.8 | 0 | 0 | 111.4 | ||||
| 1811 | S | 19.6 | Very low | 21.8 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | trans | -111.2 | 166.5 | 173.6 | 68.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1812 | Q | 31 | Very low | 21.8 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | 81.8 | 131.6 | -178 | -45.3 | -49.2 | -42.5 | 0 | 0 | 114.5 | ||||
| 1813 | P | 22.1 | Very low | 22 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | -127.5 | 138.4 | 107.6 | 3.8 | 17.2 | 0 | 0 | 0 | 114.7 | |||||
| 1814 | I | 20 | Very low | 21.9 | Very low | 151 Ų | 151 | 138 Ų | 138 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | 60 | 112.4 | 129.9 | -52.8 | 162.9 | 0 | 0 | 0 | 118.6 | |||||
| 1815 | T | 24 | Very low | 22.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | -161.6 | 157.1 | 103.4 | 35.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1816 | D | 23.9 | Very low | 22.4 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | 64.6 | 134.8 | 170 | -49.6 | -25.2 | 0 | 0 | 0 | 117.4 | ||||
| 1817 | S | 21.2 | Very low | 22.4 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -145.8 | 154.7 | -8.6 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | D1819 | S1817-D1819 PolarHBondContact O-N 3.17Š| ||
| 1818 | Y | 21.8 | Very low | 22.4 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | trans | -82.6 | 100.4 | 169.1 | -99.9 | -103.3 | 0 | 0 | 0 | 109.9 | ||||
| 1819 | D | 24.7 | Very low | 22.4 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | trans | -135.6 | 102.3 | 164.5 | -120.9 | -42.3 | 0 | 0 | 0 | 110.3 | S1817 | S1817-D1819 PolarHBondContact O-N 3.17Š| ||
| 1820 | N | 21.3 | Very low | 22.4 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | -110.1 | 55.1 | -169.7 | -146.1 | -18.9 | 0 | 0 | 0 | 109.9 | ||||
| 1821 | I | 27 | Very low | 22.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | -128.1 | 130 | -167.8 | -68 | -177 | 0 | 0 | 0 | 110.1 | ||||
| 1822 | Q | 24 | Very low | 22.4 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | 35.2 | 126.3 | 155.1 | -58.7 | -179.2 | 35.4 | 0 | 0 | 119.3 | ||||
| 1823 | N | 24.8 | Very low | 21.9 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -162.2 | 167.6 | 7 | -129.7 | -35.4 | 0 | 0 | 0 | 113.5 | T1825 | N1823-T1825 PolarHBondContact O-N 3.35Š| ||
| 1824 | K | 20.9 | Very low | 21.9 | Very low | 190 Ų | 190 | 152 Ų | 152 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -62.7 | 101.7 | 173.1 | -66 | 164.8 | 177.7 | 169.9 | 0 | 111.6 | ||||
| 1825 | T | 27 | Very low | 21.9 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -134.2 | 103 | 151.9 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | N1823 | N1823-T1825 PolarHBondContact O-N 3.35Š|
| 1826 | N | 24.1 | Very low | 21.8 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | 57.1 | 88.6 | -176.9 | -57.4 | -7.3 | 0 | 0 | 0 | 113.2 | ||||
| 1827 | S | 20.1 | Very low | 22.2 | Very low | 85 Ų | 85 | 154.4 Ų | 154.4 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | cis | 55.2 | 119.9 | 30.7 | 96.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1828 | N | 19.1 | Very low | 23.4 | Very low | 85 Ų | 85 | 154.9 Ų | 154.9 | 46% | 0.455 | 75% | 0.748 | S | S | . | * | trans | 67.9 | 140.8 | 168.4 | -76.4 | -161 | 0 | 0 | 0 | 114.8 | ||||
| 1829 | E | 16.9 | Very low | 23.6 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | S | Bend | cis | 62 | 176.5 | 40.5 | -43.5 | 141.2 | 73.6 | 0 | 0 | 110.9 | ||
| 1830 | H | 19.4 | Very low | 23.5 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | trans | 26.2 | 128.2 | 158.6 | -51.6 | -49.3 | 0 | 0 | 0 | 121.8 | ||||
| 1831 | R | 18 | Very low | 24.2 | Very low | 216 Ų | 216 | 147.4 Ų | 147.4 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | 97.8 | 138.6 | 166.8 | -53 | 147.1 | 179.3 | -179.2 | -0.6 | 113.4 | ||||
| 1832 | R | 19.6 | Very low | 24.5 | Very low | 241 Ų | 241 | 146.9 Ų | 146.9 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | cis | -99 | 125.5 | -6.9 | -67.7 | 177.1 | 168.2 | 168.8 | -4.6 | 107.9 | ||||
| 1833 | I | 20.8 | Very low | 24.5 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 44.5 | 112.7 | 76.3 | -62.7 | -177.7 | 0 | 0 | 0 | 111.7 | |||||
| 1834 | R | 21.3 | Very low | 24.2 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | trans | 72.7 | 113.2 | 173.7 | -65.1 | 171.8 | 178.6 | 174.8 | -1.4 | 117.4 | ||||
| 1835 | H | 20.4 | Very low | 24.3 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | 15.4 | 118.9 | 111.9 | -42.2 | -83.4 | 0 | 0 | 0 | 116.5 | |||||
| 1836 | Q | 21.2 | Very low | 24.3 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | -176.5 | 167 | 93.8 | -97.8 | 176.3 | -9 | 0 | 0 | 110.9 | |||||
| 1837 | P | 32 | Very low | 24.1 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -96.3 | -150.6 | -174.4 | 43.2 | -37.9 | 0 | 0 | 0 | 112 | ||||
| 1838 | P | 46.9 | Very low | 24.1 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | -89.4 | 163.7 | -126.9 | 41.3 | -30.3 | 0 | 0 | 0 | 116 | |||||
| 1839 | P | 27.2 | Very low | 24.3 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -110.7 | 161.9 | 149.9 | 34.5 | -24.4 | 0 | 0 | 0 | 113.3 | ||||
| 1840 | P | 22.7 | Very low | 24.8 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | -99.9 | -173.9 | -171 | 43.5 | -38.6 | 0 | 0 | 0 | 113.3 | ||||
| 1841 | P | 34.7 | Very low | 24.8 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -96.2 | 160.4 | -157.1 | 37.9 | -36.7 | 0 | 0 | 0 | 116.8 | ||||
| 1842 | P | 33.6 | Very low | 25 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -74.7 | 135.7 | 155.9 | 33.1 | -32.1 | 0 | 0 | 0 | 110.1 | ||||
| 1843 | Q | 23.6 | Very low | 25 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | 57 | 98.3 | 78 | -63.2 | -178.9 | 3.6 | 0 | 0 | 112 | |||||
| 1844 | S | 19.6 | Very low | 24.9 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | 90.3 | 129.5 | 56.5 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1845 | N | 21.8 | Very low | 24.8 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | 3.7 | 139.1 | 152.8 | -63.9 | -5.3 | 0 | 0 | 0 | 118.4 | ||||
| 1846 | P | 28 | Very low | 24.8 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | -121.8 | 159.8 | 55.2 | 10.7 | 12.8 | 0 | 0 | 0 | 113.6 | L1848 | P1846-L1848 HydrophobicContact CB-CD1 4.47Š| |||
| 1847 | S | 18.6 | Very low | 24.8 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | cis | 74 | 160.9 | 38.5 | 105.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1848 | L | 21.6 | Very low | 24.1 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | 71 | 153.1 | -175.9 | -57.1 | 138.2 | 0 | 0 | 0 | 114 | P1846 | P1846-L1848 HydrophobicContact CB-CD1 4.47Š| ||
| 1849 | N | 23.3 | Very low | 22.8 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | cis | -150.3 | 171.2 | 5 | -146.2 | -13.4 | 0 | 0 | 0 | 114.1 | N1851 | N1849-N1851 PolarHBondContact OD1-ND2 2.69Š| ||
| 1850 | H | 25.9 | Very low | 22.5 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 70% | 0.704 | 71% | 0.712 | S | S | * | * | trans | 75.1 | 116.8 | 173.5 | -59.7 | -70.2 | 0 | 0 | 0 | 115.6 | ||||
| 1851 | N | 20.2 | Very low | 22.3 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | cis | 65.2 | 72.2 | 33.6 | -44.9 | -58.4 | 0 | 0 | 0 | 114 | N1849 | N1849-N1851 PolarHBondContact OD1-ND2 2.69Š| ||
| 1852 | A | 22.4 | Very low | 21.8 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -146.8 | 94.8 | 135.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1853 | S | 19.8 | Very low | 21.2 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | 61.1 | 110.5 | 70.4 | 91.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1854 | K | 19.1 | Very low | 21.2 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | 93.1 | 101.2 | 78.2 | -179.5 | -175.1 | 173.4 | -170.3 | 0 | 110.1 | |||||
| 1855 | T | 18.2 | Very low | 21.2 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | trans | 63.3 | 177.8 | 148.8 | 63.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1856 | D | 19.9 | Very low | 21.3 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | trans | 58 | 91.8 | 152.9 | -48.2 | -37.6 | 0 | 0 | 0 | 118.3 | ||||
| 1857 | L | 20.7 | Very low | 21 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | -177.6 | 118.8 | 91.3 | -86.7 | 155.2 | 0 | 0 | 0 | 107.4 | |||||
| 1858 | I | 18.7 | Very low | 21.1 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 65% | 0.651 | 73% | 0.726 | S | S | * | * | 48.6 | 102.8 | 51.1 | -55.7 | -179.5 | 0 | 0 | 0 | 111.4 | |||||
| 1859 | M | 18.2 | Very low | 21.1 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | 59.3 | 122.7 | 171 | -58.3 | -76.4 | -164.2 | 0 | 0 | 114.2 | ||||
| 1860 | N | 21.2 | Very low | 20.9 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | -169.4 | 155.4 | 71.6 | -95.8 | -80.1 | 0 | 0 | 0 | 111.9 | |||||
| 1861 | K | 19.9 | Very low | 20.6 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 74% | 0.735 | 73% | 0.726 | S | S | * | * | trans | 32.8 | 126.9 | 131.2 | -58.6 | 168.7 | -173.2 | 127 | 0 | 116.7 | ||||
| 1862 | K | 23.1 | Very low | 20.5 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | cis | -168.8 | 160.9 | 26.9 | -125 | 170.4 | 173.8 | -166.7 | 0 | 110.9 | ||||
| 1863 | D | 21 | Very low | 20.4 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 52 | 115.1 | 150.7 | -47.9 | -32.5 | 0 | 0 | 0 | 119.5 | ||||
| 1864 | G | 23.3 | Very low | 20.5 | Very low | 72 Ų | 72 | 148.5 Ų | 148.5 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 115 | 101.5 | 136 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1865 | R | 20.1 | Very low | 20.6 | Very low | 238 Ų | 238 | 145.7 Ų | 145.7 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | 62.2 | 95.9 | 140 | -55.7 | -176.1 | -173.7 | -167.3 | 1.9 | 119.3 | ||||
| 1866 | N | 23.2 | Very low | 20.8 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | 44.2 | 124.5 | 107.5 | -66.8 | 31.8 | 0 | 0 | 0 | 121.3 | |||||
| 1867 | E | 22.9 | Very low | 21.1 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | 75.8 | 179.8 | 129.4 | -65.4 | -174.2 | 133.6 | 0 | 0 | 119.9 | |||||
| 1868 | K | 20.1 | Very low | 21.1 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 88% | 0.878 | 73% | 0.73 | S | S | * | * | trans | -59.5 | 142.1 | -171.9 | -54 | 167.6 | -176.1 | 166.9 | 0 | 111.1 | ||||
| 1869 | P | 21 | Very low | 21.1 | Very low | 72 Ų | 72 | 150.2 Ų | 150.2 | 47% | 0.468 | 73% | 0.733 | S | S | . | * | trans | -121 | 111.1 | 145.9 | 17.2 | 3.1 | 0 | 0 | 0 | 110.5 | W1871 | P1869-W1871 HydrophobicContact CB-CD2 3.7Å; P1869-W1871 HydrophobicContact CB-CE3 4.27Å; P1869-W1871 HydrophobicContact CB-CG 4.12Å; P1869-W1871 HydrophobicContact CB-CH2 4.16Å; P1869-W1871 HydrophobicContact CB-CZ2 3.56Å; P1869-W1871 HydrophobicContact CB-CZ3 4.48Å; P1869-W1871 HydrophobicContact CG-CZ2 3.64Å | ||
| 1870 | T | 19.1 | Very low | 21.1 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -60.3 | 134.1 | 137.2 | 35.6 | 0 | 0 | 0 | 0 | 107.6 | R1872 | T1870-R1872 VanDerWaalsContact O-O 3.04Š| ||
| 1871 | W | 21 | Very low | 21 | Very low | 211 Ų | 211 | 150.4 Ų | 150.4 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -127.7 | 125.3 | 174.7 | -59 | 111.1 | 0 | 0 | 0 | 109 | P1869 | P1869-W1871 HydrophobicContact CB-CD2 3.7Å; P1869-W1871 HydrophobicContact CB-CE3 4.27Å; P1869-W1871 HydrophobicContact CB-CG 4.12Å; P1869-W1871 HydrophobicContact CB-CH2 4.16Å; P1869-W1871 HydrophobicContact CB-CZ2 3.56Å; P1869-W1871 HydrophobicContact CB-CZ3 4.48Å; P1869-W1871 HydrophobicContact CG-CZ2 3.64Å |
| 1872 | R | 18.6 | Very low | 20.9 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | cis | 30.6 | 93.4 | -30.6 | -78.2 | -78.9 | -153.4 | -179.6 | 8.2 | 117.8 | T1870 D1875 | T1870-R1872 VanDerWaalsContact O-O 3.04Å; R1872-D1875 IonicContact NH1-OD2 3.81Å; R1872-D1875 PolarHBondContact NH1-OD2 2.77Å | ||
| 1873 | E | 20.3 | Very low | 20.7 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | -156.5 | 88.9 | 120.8 | -116.7 | 171.1 | -146.9 | 0 | 0 | 109.6 | |||||
| 1874 | T | 20.7 | Very low | 20.7 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | -149.3 | 79.8 | 165.7 | 26.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1875 | D | 22 | Very low | 20.5 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | trans | -149.4 | 150.8 | 153.6 | -90.8 | -45.8 | 0 | 0 | 0 | 107.3 | R1872 | R1872-D1875 IonicContact NH1-OD2 3.81Å; R1872-D1875 PolarHBondContact NH1-OD2 2.77Å | ||
| 1876 | L | 22.9 | Very low | 20.5 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -39.2 | 139.3 | -166.8 | -73.5 | 64.6 | 0 | 0 | 0 | 115.8 | ||||
| 1877 | D | 24.3 | Very low | 20.4 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | 55.8 | 109 | 72.7 | -84.4 | -42.6 | 0 | 0 | 0 | 114.6 | |||||
| 1878 | H | 20.8 | Very low | 20.4 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | 51.7 | 130.3 | 118.7 | -102.5 | -80.8 | 0 | 0 | 0 | 121.6 | |||||
| 1879 | F | 19.5 | Very low | 20.3 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 72% | 0.715 | 71% | 0.709 | S | S | * | * | trans | 69.2 | 114.8 | 176.8 | -55.4 | -86.4 | 0 | 0 | 0 | 113.4 | ||||
| 1880 | T | 18.6 | Very low | 20.4 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | 61 | 157.7 | 56 | 79.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1881 | I | 19.3 | Very low | 20.4 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | 80.3 | 89.3 | -163.6 | -54.7 | 164.2 | 0 | 0 | 0 | 109 | ||||
| 1882 | R | 17.3 | Very low | 20.3 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | 46.4 | 111 | 81.6 | -70.7 | -174.2 | 174.9 | 167.2 | -4.8 | 113 | |||||
| 1883 | N | 19.8 | Very low | 20.5 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | -163.2 | 112.8 | 107.2 | -84.2 | -26.4 | 0 | 0 | 0 | 106.7 | |||||
| 1884 | H | 20.1 | Very low | 20.5 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | 74.3 | 114.8 | 69.5 | -76.5 | 14 | 0 | 0 | 0 | 112.8 | |||||
| 1885 | Q | 18.9 | Very low | 20.6 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | 57.1 | 132.1 | 135.1 | -59.2 | 157.2 | -47 | 0 | 0 | 116.8 | ||||
| 1886 | H | 21.2 | Very low | 20.7 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | cis | -135.8 | 141.7 | 38.4 | -84.9 | -102.5 | 0 | 0 | 0 | 111.1 | ||||
| 1887 | H | 20.6 | Very low | 20.7 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | 48.3 | 103.1 | 80.1 | -80.6 | -70.6 | 0 | 0 | 0 | 114 | |||||
| 1888 | Q | 22.4 | Very low | 20.7 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | -157.1 | 128.5 | 106 | -109.4 | 176.9 | 11.1 | 0 | 0 | 111.5 | |||||
| 1889 | D | 18.4 | Very low | 20.6 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | -74.2 | 142 | 163.3 | -46.1 | -98.4 | 0 | 0 | 0 | 109.4 | ||||
| 1890 | N | 22 | Very low | 20.6 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | 173.4 | 145.1 | 156 | -92.5 | -40.5 | 0 | 0 | 0 | 110 | ||||
| 1891 | N | 19.6 | Very low | 20.6 | Very low | 132 Ų | 132 | 155 Ų | 155 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -158.4 | -174.9 | -32.2 | -140.4 | -42.5 | 0 | 0 | 0 | 109.2 | ||||
| 1892 | H | 19.4 | Very low | 20.7 | Very low | 155 Ų | 155 | 159.4 Ų | 159.4 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -65.3 | 158.9 | 174.4 | -65 | 0.1 | 0 | 0 | 0 | 113.8 | ||||
| 1893 | N | 22.6 | Very low | 20.8 | Very low | 141 Ų | 141 | 159.7 Ų | 159.7 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | 176.3 | 111 | 111.3 | -85.4 | 8 | 0 | 0 | 0 | 112.4 | |||||
| 1894 | D | 20.9 | Very low | 20.7 | Very low | 139 Ų | 139 | 162.1 Ų | 162.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 55.9 | 158.4 | 120.3 | -54.4 | -33.4 | 0 | 0 | 0 | 125.8 | |||||
| 1895 | E | 22.7 | Very low | 20.8 | Very low | 187 Ų | 187 | 161.6 Ų | 161.6 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 87.6 | 85.7 | 154.8 | -77.6 | 179.9 | -174.6 | 0 | 0 | 123.2 | ||||
| 1896 | D | 23.1 | Very low | 20.9 | Very low | 120 Ų | 120 | 162.3 Ų | 162.3 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | 68.3 | 125.5 | 107.3 | -129.9 | 34.9 | 0 | 0 | 0 | 123.1 | |||||
| 1897 | K | 22.7 | Very low | 20.8 | Very low | 156 Ų | 156 | 161 Ų | 161 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 37.6 | 120.9 | 146.3 | -61.5 | 174.2 | -168.3 | 75.8 | 0 | 119.9 | ||||
| 1898 | N | 25.2 | Very low | 20.9 | Very low | 167 Ų | 167 | 159.6 Ų | 159.6 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | -172.5 | 150.4 | 108 | -103.2 | -67.1 | 0 | 0 | 0 | 113.7 | |||||
| 1899 | E | 18.3 | Very low | 20.9 | Very low | 182 Ų | 182 | 161.1 Ų | 161.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -86.8 | 144.5 | 178.1 | -65.4 | 179.2 | 109.5 | 0 | 0 | 113.1 | N1901 | E1899-N1901 PolarHBondContact O-N 3.29Š| ||
| 1900 | W | 19.1 | Very low | 21.1 | Very low | 247 Ų | 247 | 161.7 Ų | 161.7 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | 9.5 | 98 | 158 | -76.1 | 36.2 | 0 | 0 | 0 | 118.4 | ||||
| 1901 | N | 20 | Very low | 21 | Very low | 146 Ų | 146 | 163 Ų | 163 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -169.8 | 103.7 | 145.8 | -107.4 | -55.5 | 0 | 0 | 0 | 115.5 | E1899 | E1899-N1901 PolarHBondContact O-N 3.29Š| ||
| 1902 | R | 20.4 | Very low | 21.1 | Very low | 241 Ų | 241 | 161.9 Ų | 161.9 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | 158.5 | 106.6 | 149.5 | -90.3 | 167.4 | -163.9 | -152.2 | 6.5 | 108.2 | ||||
| 1903 | Y | 18.4 | Very low | 21.2 | Very low | 199 Ų | 199 | 160 Ų | 160 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 55.4 | 87.4 | 73.7 | -80.5 | -86.9 | 0 | 0 | 0 | 116.3 | |||||
| 1904 | K | 19.2 | Very low | 21 | Very low | 195 Ų | 195 | 161.2 Ų | 161.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | 40.4 | 112.4 | 141.6 | -62.7 | -179.3 | 176.7 | 179.6 | 0 | 120.5 | ||||
| 1905 | S | 21.3 | Very low | 20.9 | Very low | 105 Ų | 105 | 161.8 Ų | 161.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -171.3 | 137.2 | 146.8 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1906 | N | 21.3 | Very low | 20.7 | Very low | 150 Ų | 150 | 157.4 Ų | 157.4 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 65.1 | 139.7 | 174.2 | -50.8 | -8.7 | 0 | 0 | 0 | 115.5 | ||||
| 1907 | E | 19.4 | Very low | 20.5 | Very low | 135 Ų | 135 | 158.5 Ų | 158.5 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | cis | 88.6 | 134.2 | -9.6 | -134.6 | -173.7 | -84.1 | 0 | 0 | 120.9 | ||||
| 1908 | N | 22.7 | Very low | 20.3 | Very low | 105 Ų | 105 | 157.7 Ų | 157.7 | 56% | 0.561 | 79% | 0.788 | S | S | * | * | trans | 64.5 | 122.3 | 166.3 | -60.2 | -43.7 | 0 | 0 | 0 | 121.2 | ||||
| 1909 | R | 22.2 | Very low | 20 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | -170.9 | 157.5 | 104.7 | -105 | 169.6 | -177.3 | 177.2 | 0.5 | 116.3 | |||||
| 1910 | N | 23.5 | Very low | 20 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 70.8 | 101.7 | 159.3 | -59.8 | -4 | 0 | 0 | 0 | 120.2 | ||||
| 1911 | N | 19.7 | Very low | 20 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | -151.6 | 145.7 | 104.9 | -108.6 | -19.1 | 0 | 0 | 0 | 112.4 | |||||
| 1912 | S | 20.4 | Very low | 19.9 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -23.1 | 121.2 | -178.3 | 53.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1913 | S | 21.3 | Very low | 19.8 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | -167.5 | 134.6 | 128.6 | -84.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1914 | I | 19.2 | Very low | 19.8 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | 63.5 | 125.7 | -177 | -53.9 | -177.3 | 0 | 0 | 0 | 113.7 | ||||
| 1915 | N | 18.7 | Very low | 19.7 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -94 | -162 | -175.6 | -75.5 | -24.9 | 0 | 0 | 0 | 111.1 | ||||
| 1916 | C | 18.3 | Very low | 19.7 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | 67.2 | 91.3 | 155.6 | 59.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1917 | D | 18.6 | Very low | 19.5 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | 84.3 | 154.2 | 112 | -55.4 | -26 | 0 | 0 | 0 | 120.9 | |||||
| 1918 | N | 18.7 | Very low | 19.6 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 66.5 | 108.1 | 166.8 | -61.5 | -43.3 | 0 | 0 | 0 | 116.4 | ||||
| 1919 | S | 18.7 | Very low | 19.5 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | 74 | 148.6 | 55.2 | 84.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1920 | N | 19 | Very low | 19.5 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | 69.4 | 145.1 | 171.6 | -61.2 | 10.4 | 0 | 0 | 0 | 114.9 | ||||
| 1921 | E | 18.8 | Very low | 19.3 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -163.2 | -179.8 | -7.4 | -122.8 | 175.3 | 138 | 0 | 0 | 111.3 | ||||
| 1922 | I | 18.3 | Very low | 19.3 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 67% | 0.672 | 74% | 0.741 | S | S | * | * | trans | 50.7 | 99.9 | 142.2 | -66.4 | 163.4 | 0 | 0 | 0 | 117.4 | ||||
| 1923 | S | 17.7 | Very low | 19.2 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | trans | -24.7 | 155.6 | 141 | 58.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1924 | K | 18.7 | Very low | 19.1 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | 116.5 | 146.5 | 147.3 | -70.7 | 176.2 | 177.6 | 176 | 0 | 116.9 | ||||
| 1925 | N | 17.5 | Very low | 19.1 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 80.3 | 118.9 | 148.8 | -68.4 | 1.3 | 0 | 0 | 0 | 121 | ||||
| 1926 | N | 20.2 | Very low | 19.1 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | 76.6 | 72.1 | 129.4 | -56.4 | 1.4 | 0 | 0 | 0 | 118.5 | |||||
| 1927 | S | 17.3 | Very low | 19.1 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | -12.4 | 146.5 | 121 | -38.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1928 | P | 23.1 | Very low | 19.1 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | -130 | 160.9 | 103.7 | 37.4 | -32.4 | 0 | 0 | 0 | 115.7 | |||||
| 1929 | A | 20.4 | Very low | 19.3 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -2.8 | 157.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1930 | S | 20.8 | Very low | 19.7 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | cis | -172.6 | 171.6 | -12.3 | -101 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1931 | Q | 20.4 | Very low | 19.7 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | 19 | 122.6 | 147 | -62.7 | -173 | 5.9 | 0 | 0 | 120.7 | ||||
| 1932 | K | 18.2 | Very low | 19.7 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | 47.8 | 138 | 125.9 | -94.6 | -174.5 | 175.9 | -177.6 | 0 | 121.2 | |||||
| 1933 | V | 20 | Very low | 20 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | 87.6 | 128.8 | 140.8 | 168.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1934 | D | 19 | Very low | 20.3 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | trans | 66.2 | 123.4 | 154.7 | -77.7 | 8.9 | 0 | 0 | 0 | 123.7 | ||||
| 1935 | K | 19.5 | Very low | 20.4 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | 75.4 | 142 | 124.3 | -68.5 | 172.5 | -177.1 | 138.1 | 0 | 121.7 | |||||
| 1936 | T | 18.6 | Very low | 20.5 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | trans | 75.8 | 136.3 | 137.7 | 44.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1937 | N | 18.1 | Very low | 20.6 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 87.8 | 119.1 | 141.8 | -67 | -3.3 | 0 | 0 | 0 | 121 | ||||
| 1938 | Y | 18.7 | Very low | 20.8 | Very low | 202 Ų | 202 | 137.6 Ų | 137.6 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | 50.4 | 121.2 | 128.6 | -77.5 | -100.4 | 0 | 0 | 0 | 120 | |||||
| 1939 | D | 22.3 | Very low | 20.5 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | 31.4 | 119.6 | 107.3 | -164.4 | 52.4 | 0 | 0 | 0 | 116 | |||||
| 1940 | P | 26.2 | Very low | 20.5 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | -151.7 | -165.6 | 83 | 42.6 | -25 | 0 | 0 | 0 | 115.1 | |||||
| 1941 | S | 19.2 | Very low | 20.5 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | 69.9 | 114.3 | 155.8 | 57.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1942 | S | 19.4 | Very low | 20.4 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | 84.1 | 107.2 | 53.7 | 77.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1943 | T | 24.8 | Very low | 20.4 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -147.7 | 157.6 | 163.6 | -15.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1944 | D | 24.8 | Very low | 20.5 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 61 | 87.7 | 160.2 | -55.2 | -30.2 | 0 | 0 | 0 | 119.1 | ||||
| 1945 | H | 19.2 | Very low | 20.4 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | trans | -54.2 | 144.1 | 140.9 | -61.9 | -102.5 | 0 | 0 | 0 | 110.5 | ||||
| 1946 | L | 21.3 | Very low | 20.3 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | 172.7 | 165.9 | 113.1 | -92.8 | 169.4 | 0 | 0 | 0 | 113.2 | |||||
| 1947 | A | 21.8 | Very low | 20.3 | Very low | 83 Ų | 83 | 138.7 Ų | 138.7 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | trans | 69.5 | 107.3 | 162 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1948 | Y | 20.3 | Very low | 20.3 | Very low | 215 Ų | 215 | 136 Ų | 136 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | 59.1 | 103.3 | 143.6 | -80.1 | -89.9 | 0 | 0 | 0 | 120.7 | P1950 | Y1948-P1950 WeakPolarHBondContact O-CD 3.44Š| ||
| 1949 | I | 17.9 | Very low | 20.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | -64.6 | 132.2 | 133.5 | -61.7 | 165.8 | 0 | 0 | 0 | 108 | ||||
| 1950 | P | 20.4 | Very low | 20 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | trans | -129.6 | 120.2 | 134.6 | 34.1 | -23.6 | 0 | 0 | 0 | 111.2 | Y1948 | Y1948-P1950 WeakPolarHBondContact O-CD 3.44Š| ||
| 1951 | Y | 19.6 | Very low | 19.8 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | 64 | 119.1 | 171.7 | -49.5 | -68.6 | 0 | 0 | 0 | 115.9 | ||||
| 1952 | S | 18.5 | Very low | 19.7 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | cis | 73.4 | 125.6 | 49.7 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | E1954 | S1952-E1954 PolarHBondContact O-N 3.22Š| ||
| 1953 | T | 17.9 | Very low | 19.7 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | 9.8 | 91.2 | 145.6 | 56.3 | 0 | 0 | 0 | 0 | 116.8 | T1955 | T1953-T1955 PolarHBondContact O-OG1 3.36Š| ||
| 1954 | E | 22.4 | Very low | 19.4 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -98.8 | 41.4 | 161.3 | -63.4 | -171 | 155.6 | 0 | 0 | 110.9 | S1952 | S1952-E1954 PolarHBondContact O-N 3.22Š| ||
| 1955 | T | 17.9 | Very low | 19.1 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 55% | 0.546 | 72% | 0.718 | S | S | . | * | trans | -31.4 | 151 | 142.1 | 31.8 | 0 | 0 | 0 | 0 | 115.5 | T1953 | T1953-T1955 PolarHBondContact O-OG1 3.36Š| ||
| 1956 | T | 17.9 | Very low | 19.2 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | trans | 57.6 | 57.8 | 145.4 | 59.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1957 | Q | 17.6 | Very low | 19.2 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | -142.6 | 111.3 | 129.7 | -109.3 | 127 | 97.4 | 0 | 0 | 107.4 | |||||
| 1958 | S | 17.3 | Very low | 19.4 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 52% | 0.524 | 70% | 0.703 | S | S | . | * | 79.3 | 131.8 | 87.8 | 83.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1959 | S | 17.5 | Very low | 19.5 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | 53.8 | 142.4 | 50.6 | 98.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1960 | I | 18.1 | Very low | 19.8 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 64% | 0.641 | 68% | 0.679 | S | S | * | * | trans | 61.8 | 131.2 | -160.3 | -17.3 | 138.4 | 0 | 0 | 0 | 108.8 | ||||
| 1961 | H | 21.1 | Very low | 19.7 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 59% | 0.593 | 69% | 0.685 | S | S | * | * | cis | -126.2 | 151 | 16.4 | -68.4 | -119 | 0 | 0 | 0 | 107.8 | N1963 | H1961-N1963 HydrophobicContact CB-CB 3.92Å; H1961-N1963 VanDerWaalsContact CB-N 3.27Å; H1961-N1963 WeakPolarHBondContact CB-OD1 3.24Å; H1961-N1963 VanDerWaalsContact CG-OD1 3.29Å; H1961-N1963 PolarHBondContact ND1-OD1 3.09Å; H1961-N1963 VanDerWaalsContact ND1-OD1 3.15Å | ||
| 1962 | K | 18.6 | Very low | 19.8 | Very low | 201 Ų | 201 | 121.2 Ų | 121.2 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | cis | 45.1 | 27.8 | 36.8 | -91.6 | -163.9 | 177.1 | -175.2 | 0 | 113.8 | K1964 | K1962-K1964 WeakPolarHBondContact O-CB 3.23Š| ||
| 1963 | N | 19.5 | Very low | 20 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 67% | 0.674 | 67% | 0.674 | S | S | * | * | trans | -93.1 | 115.5 | 164.3 | -82.4 | -7.5 | 0 | 0 | 0 | 105.8 | H1961 | H1961-N1963 HydrophobicContact CB-CB 3.92Å; H1961-N1963 VanDerWaalsContact CB-N 3.27Å; H1961-N1963 WeakPolarHBondContact CB-OD1 3.24Å; H1961-N1963 VanDerWaalsContact CG-OD1 3.29Å; H1961-N1963 PolarHBondContact ND1-OD1 3.09Å; H1961-N1963 VanDerWaalsContact ND1-OD1 3.15Å | ||
| 1964 | K | 18 | Very low | 20.8 | Very low | 185 Ų | 185 | 121.9 Ų | 121.9 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | cis | 57.3 | 97.8 | 17.2 | -161.1 | -166.1 | 178 | -166.1 | 0 | 111 | K1962 | K1962-K1964 WeakPolarHBondContact O-CB 3.23Š| ||
| 1965 | A | 18.8 | Very low | 20.8 | Very low | 75 Ų | 75 | 120 Ų | 120 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | cis | -151.8 | -167.9 | 4.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1966 | T | 20.9 | Very low | 21.1 | Very low | 119 Ų | 119 | 123 Ų | 123 | 73% | 0.73 | 68% | 0.678 | S | S | * | * | trans | 58.6 | -178.3 | 168.1 | 60.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1967 | E | 22.1 | Very low | 21.2 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 67% | 0.668 | 67% | 0.672 | S | S | * | * | trans | 45.9 | 106 | -167.4 | -67.2 | 99.6 | -83.9 | 0 | 0 | 115.1 | S1969 | E1967-S1969 PolarHBondContact O-N 2.73Š| ||
| 1968 | D | 25.6 | Very low | 21.4 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | 55.1 | 36.2 | 75.4 | -52.9 | -50.8 | 0 | 0 | 0 | 112.3 | N1970 | D1968-N1970 VanDerWaalsContact C-N 3.31Å; D1968-N1970 PolarHBondContact O-N 2.79Å; D1968-N1970 VanDerWaalsContact O-N 3.1Å | |||
| 1969 | S | 22.6 | Very low | 21.7 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 43% | 0.434 | 68% | 0.675 | S | S | . | * | -42.6 | 112.9 | 119.2 | 79.1 | 0 | 0 | 0 | 0 | 107.3 | E1967 S1971 V1972 | E1967-S1969 PolarHBondContact O-N 2.73Å; S1969-S1971 CarbonylContact C-O 3.48Å; S1969-S1971 VanDerWaalsContact CA-OG 3.32Å; S1969-S1971 WeakPolarHBondContact CA-OG 3.26Å; S1969-S1971 WeakPolarHBondContact CB-O 3.36Å; S1969-S1971 CarbonylContact O-C 3.28Å; S1969-S1971 VanDerWaalsContact O-C 3.28Å; S1969-S1971 PolarHBondContact OG-O 2.87Å; S1969-V1972 WeakPolarHBondContact O-CA 3.47Å; S1969-V1972 WeakPolarHBondContact O-CG2 3.48Å; S1969-V1972 PolarHBondContact O-N 2.94Å | |||
| 1970 | N | 24.1 | Very low | 22.5 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -133.2 | 59.4 | 172.9 | -161.5 | -5.1 | 0 | 0 | 0 | 111.9 | D1968 V1972 | D1968-N1970 VanDerWaalsContact C-N 3.31Å; D1968-N1970 PolarHBondContact O-N 2.79Å; D1968-N1970 VanDerWaalsContact O-N 3.1Å; N1970-V1972 HydrophobicContact CB-CG2 3.94Å; N1970-V1972 WeakPolarHBondContact OD1-CG2 3.14Å |
| 1971 | S | 18.6 | Very low | 22.7 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | S | Bend | cis | 48.8 | 28.1 | -10.8 | 42.4 | 0 | 0 | 0 | 0 | 119.1 | S1969 | S1969-S1971 CarbonylContact C-O 3.48Å; S1969-S1971 VanDerWaalsContact CA-OG 3.32Å; S1969-S1971 WeakPolarHBondContact CA-OG 3.26Å; S1969-S1971 WeakPolarHBondContact CB-O 3.36Å; S1969-S1971 CarbonylContact O-C 3.28Å; S1969-S1971 VanDerWaalsContact O-C 3.28Å; S1969-S1971 PolarHBondContact OG-O 2.87Å |
| 1972 | V | 20.8 | Very low | 22.7 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 47% | 0.473 | 68% | 0.682 | S | S | . | * | trans | -73 | 133.5 | -166.1 | 135.6 | 0 | 0 | 0 | 0 | 113.4 | S1969 N1970 | S1969-V1972 WeakPolarHBondContact O-CA 3.47Å; S1969-V1972 WeakPolarHBondContact O-CG2 3.48Å; S1969-V1972 PolarHBondContact O-N 2.94Å; N1970-V1972 HydrophobicContact CB-CG2 3.94Å; N1970-V1972 WeakPolarHBondContact OD1-CG2 3.14Å | ||
| 1973 | N | 22 | Very low | 22.8 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 68% | 0.68 | S | S | * | * | trans | 67.1 | 149.5 | 163.4 | -82.4 | -30.2 | 0 | 0 | 0 | 116.1 | ||||
| 1974 | S | 35.1 | Very low | 22.9 | Very low | 92 Ų | 92 | 119 Ų | 119 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | 66.5 | 114.5 | 52.1 | -47.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1975 | L | 22 | Very low | 23.1 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 78% | 0.775 | 68% | 0.679 | S | S | * | * | cis | -141.3 | 148.9 | 10.8 | -78.3 | 107.9 | 0 | 0 | 0 | 113.5 | ||||
| 1976 | L | 24.6 | Very low | 23.1 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 80% | 0.801 | 68% | 0.681 | S | S | * | * | trans | 65.1 | 151.5 | 138.4 | -70.2 | 168.6 | 0 | 0 | 0 | 122.7 | ||||
| 1977 | N | 20 | Very low | 23.1 | Very low | 112 Ų | 112 | 119 Ų | 119 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -42.7 | 144.7 | 150.1 | -77 | -30.9 | 0 | 0 | 0 | 114.1 | ||
| 1978 | I | 21.8 | Very low | 23 | Very low | 125 Ų | 125 | 118.5 Ų | 118.5 | 64% | 0.641 | 68% | 0.68 | S | S | * | * | trans | 60.2 | 117.3 | 145.4 | -56 | 159.1 | 0 | 0 | 0 | 117.2 | N2151 | I1978-N2151 WeakPolarHBondContact CD1-ND2 3.25Š| ||
| 1979 | P | 24.3 | Very low | 22.8 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | trans | -134.9 | 146.2 | 138.3 | 38.2 | -27.4 | 0 | 0 | 0 | 113.6 | ||||
| 1980 | P | 33.5 | Very low | 22.8 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | trans | -80.6 | -174.6 | 148.6 | 37.2 | -33.2 | 0 | 0 | 0 | 110.2 | ||||
| 1981 | H | 22.1 | Very low | 22.8 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | 77.1 | 153.6 | 172.1 | -108.4 | -94 | 0 | 0 | 0 | 118.4 | ||||
| 1982 | N | 21.9 | Very low | 22.9 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | trans | 69 | 128 | 166.2 | -55.2 | -16.3 | 0 | 0 | 0 | 116.9 | ||||
| 1983 | L | 20.5 | Very low | 22.9 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | cis | 74.4 | 129.5 | 45.7 | -79.8 | 79.5 | 0 | 0 | 0 | 114.7 | ||||
| 1984 | G | 21.2 | Very low | 22.8 | Very low | 62 Ų | 62 | 125.8 Ų | 125.8 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | 89.1 | 61.9 | 129.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1985 | Q | 22.4 | Very low | 22 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -161.8 | 134.6 | 156.5 | -113 | 138.3 | 98.8 | 0 | 0 | 107.8 | ||||
| 1986 | S | 18.8 | Very low | 21.9 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | cis | 57.6 | 158.4 | 30.6 | 94.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1987 | T | 21.4 | Very low | 21.7 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | cis | -144.8 | 132.8 | 13.4 | -23.5 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 1988 | L | 19.5 | Very low | 21.8 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | 39.6 | 124.8 | 77 | -76.9 | 166.3 | 0 | 0 | 0 | 112 | |||||
| 1989 | H | 20.9 | Very low | 22.1 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | 64.7 | 124.8 | 155.8 | -69.3 | -55.3 | 0 | 0 | 0 | 118.4 | ||||
| 1990 | S | 23.9 | Very low | 22.6 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | 59.6 | 72.3 | 78.6 | -42.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1991 | V | 23.3 | Very low | 21.8 | Very low | 125 Ų | 125 | 126 Ų | 126 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | S | Bend | -62.3 | 135.9 | 123.3 | 175.9 | 0 | 0 | 0 | 0 | 107.2 | |||
| 1992 | N | 21.1 | Very low | 22.3 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | trans | 2.6 | 129.2 | 154.8 | -38.6 | -24.9 | 0 | 0 | 0 | 114.7 | A1994 | N1992-A1994 HydrophobicContact CB-CB 4.02Š| ||
| 1993 | Q | 19.7 | Very low | 23 | Very low | 203 Ų | 203 | 122.8 Ų | 122.8 | 95% | 0.949 | 72% | 0.72 | S | S | * | * | cis | 39.6 | 41.9 | 35.4 | -84.8 | -164.3 | -21.2 | 0 | 0 | 114.8 | ||||
| 1994 | A | 20.7 | Very low | 23.6 | Very low | 72 Ų | 72 | 120.1 Ų | 120.1 | 60% | 0.595 | 72% | 0.715 | S | S | * | * | trans | -138.5 | 115.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 103.7 | N1992 | N1992-A1994 HydrophobicContact CB-CB 4.02Š| ||
| 1995 | S | 17.8 | Very low | 23.8 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | cis | 55.9 | 127.1 | 23.4 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | G1997 | S1995-G1997 PolarHBondContact O-N 3.34Š| ||
| 1996 | I | 21.3 | Very low | 24 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -61.1 | 131.7 | 157.1 | -69.5 | 171.8 | 0 | 0 | 0 | 107.1 | ||
| 1997 | G | 20 | Very low | 24.3 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 105.3 | -171.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1995 | S1995-G1997 PolarHBondContact O-N 3.34Š|
| 1998 | C | 21.2 | Very low | 24.4 | Very low | 106 Ų | 106 | 127 Ų | 127 | 72% | 0.716 | 73% | 0.733 | S | S | * | * | cis | 54.9 | 100.9 | 37.3 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1999 | Q | 28.4 | Very low | 25 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | cis | -155.5 | 152.3 | 32.1 | -96 | 135.5 | -6.3 | 0 | 0 | 109.1 | ||||
| 2000 | Q | 34.8 | Very low | 25 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | 49.4 | 123.3 | 106.6 | -48.3 | 169.7 | -27.3 | 0 | 0 | 113.6 | |||||
| 2001 | S | 17.3 | Very low | 25.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -52.8 | 127.7 | 42.7 | 61.6 | 0 | 0 | 0 | 0 | 117.1 | S2003 | S2001-S2003 PolarHBondContact O-N 3.19Š|
| 2002 | N | 33 | Very low | 25.1 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -41.3 | 130.8 | -179.6 | -55.2 | -40.5 | 0 | 0 | 0 | 112.9 | ||||
| 2003 | S | 36.4 | Very low | 25.3 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | 11 | 144.3 | 134.5 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | S2001 | S2001-S2003 PolarHBondContact O-N 3.19Š| ||
| 2004 | S | 33.4 | Very low | 26.1 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | 92 | 128.4 | -176.7 | 76.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2005 | T | 25.6 | Very low | 26.1 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | cis | 98.6 | 133.9 | 21.7 | 68.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 2006 | K | 26.4 | Very low | 26.4 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | 77.4 | 151.6 | -179.9 | -50.2 | 173.6 | -178.6 | 178.7 | 0 | 113.3 | ||||
| 2007 | S | 25.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -162.1 | 142 | -5.2 | 24.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2008 | L | 23 | Very low | 26.6 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | 51.9 | 148.9 | 85 | -69.4 | 172.2 | 0 | 0 | 0 | 115.8 | |||||
| 2009 | P | 32.8 | Very low | 26.6 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | cis | -145.4 | 172.3 | -18.1 | 40 | -21.1 | 0 | 0 | 0 | 117.7 | ||||
| 2010 | Y | 20.3 | Very low | 26.5 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | 53.7 | 165.6 | 142.7 | -83.7 | -111.3 | 0 | 0 | 0 | 121.9 | D2012 | Y2010-D2012 VanDerWaalsContact CE1-OD2 3.26Å; Y2010-D2012 WeakPolarHBondContact CE1-OD2 3.46Å | ||
| 2011 | E | 24.9 | Very low | 26.1 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | cis | -130.9 | 148.4 | 14.6 | -69.7 | 177.2 | 169.3 | 0 | 0 | 110.1 | ||||
| 2012 | D | 24.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | 80.8 | 109.2 | 57.2 | -78.7 | 14.4 | 0 | 0 | 0 | 114.5 | Y2010 | Y2010-D2012 VanDerWaalsContact CE1-OD2 3.26Å; Y2010-D2012 WeakPolarHBondContact CE1-OD2 3.46Å | |||
| 2013 | E | 24.4 | Very low | 25.7 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 71% | 0.71 | 73% | 0.73 | S | S | * | * | 89.2 | 161.9 | 90.4 | -91.1 | -76.3 | 103.5 | 0 | 0 | 114.5 | |||||
| 2014 | P | 37.6 | Very low | 25 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | cis | -136.5 | -171.4 | -0.1 | 44 | -25.2 | 0 | 0 | 0 | 118.3 | ||||
| 2015 | D | 21.3 | Very low | 24.4 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | -84.3 | 175.5 | -175.2 | -82 | -41.4 | 0 | 0 | 0 | 119.6 | ||||
| 2016 | S | 23.3 | Very low | 24.3 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 90% | 0.895 | 74% | 0.741 | S | S | * | * | trans | -165.7 | 163.2 | 147.3 | -83.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2017 | E | 21.3 | Very low | 23.9 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -146.9 | -176.2 | -149 | -151.6 | -174.9 | -146.7 | 0 | 0 | 116.5 | ||||
| 2018 | A | 23 | Very low | 23.7 | Very low | 51 Ų | 51 | 131.6 Ų | 131.6 | 42% | 0.421 | 74% | 0.738 | S | S | . | * | trans | 71.7 | 152.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | P2168 | A2018-P2168 WeakPolarHBondContact O-CD 3.39Å; A2018-P2168 WeakPolarHBondContact O-CG 3.24Å | ||
| 2019 | L | 22.1 | Very low | 23.6 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | cis | -149.8 | 127.2 | -15.6 | -118.8 | 170 | 0 | 0 | 0 | 112.6 | T2166 T2167 P2168 | L2019-T2166 HydrophobicContact CD2-CG2 3.61Å; L2019-T2167 CarbonylContact C-O 3.18Å; L2019-P2168 VanDerWaalsContact C-CG 3.45Å | ||
| 2020 | K | 25.7 | Very low | 22.9 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | trans | -89 | 136.2 | -173.8 | -145.8 | -163.5 | -137 | 171.8 | 0 | 114.7 | T2167 P2168 | K2020-T2167 WeakPolarHBondContact CB-O 3.24Å; K2020-T2167 WeakPolarHBondContact CD-OG1 3.44Å; K2020-T2167 PolarHBondContact N-O 2.74Å; K2020-P2168 HydrophobicContact CB-CB 3.85Å; K2020-P2168 HydrophobicContact CG-CB 4.02Å | ||
| 2021 | P | 26.7 | Very low | 23 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -118.4 | 174.9 | 165.7 | 28.2 | -10.2 | 0 | 0 | 0 | 115 | ||||
| 2022 | P | 24.9 | Very low | 22.9 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -125.1 | -173.2 | -150.3 | 44.9 | -33.2 | 0 | 0 | 0 | 117 | ||||
| 2023 | S | 18.3 | Very low | 22.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -91.5 | 139.4 | 173.1 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2024 | H | 20.2 | Very low | 22.6 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | -176.6 | 147.1 | 147 | -106.4 | -70.2 | 0 | 0 | 0 | 115.4 | ||||
| 2025 | A | 20.7 | Very low | 21.9 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | 81.9 | 157 | 146.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 2026 | V | 23.4 | Very low | 22.4 | Very low | 131 Ų | 131 | 136 Ų | 136 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 72.8 | 127.2 | 169.3 | -167.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2027 | V | 18.8 | Very low | 22.3 | Very low | 126 Ų | 126 | 134 Ų | 134 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | cis | 107.4 | 136.2 | 8 | -177.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2028 | S | 20.7 | Very low | 22.4 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | 91.9 | 151.7 | 170.5 | -57.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2029 | T | 21 | Very low | 22.3 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -168.3 | 140 | -28.2 | 35.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2030 | N | 19.4 | Very low | 22.3 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | 34 | 128.2 | 143.8 | -55.8 | -9.4 | 0 | 0 | 0 | 124.8 | ||||
| 2031 | R | 20.5 | Very low | 22.1 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | 169.4 | 138.3 | 129.7 | -91.5 | 171.3 | -174.6 | -134.2 | 0.3 | 109.2 | |||||
| 2032 | W | 22.7 | Very low | 21.9 | Very low | 236 Ų | 236 | 142.4 Ų | 142.4 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | 75 | 127.4 | 54.6 | -81.2 | 43.2 | 0 | 0 | 0 | 113.7 | |||||
| 2033 | T | 20.1 | Very low | 21.9 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -130 | -139.7 | -1.4 | 34.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2034 | D | 23.1 | Very low | 22.1 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | cis | -163.3 | -174.1 | 3.9 | -138.3 | -60.5 | 0 | 0 | 0 | 112.8 | ||||
| 2035 | E | 22.5 | Very low | 22.2 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -108 | -166.8 | 179.9 | -135.9 | -155.5 | -118.7 | 0 | 0 | 111.8 | S2037 | E2035-S2037 PolarHBondContact OE2-N 3.14Š| ||
| 2036 | P | 31.7 | Very low | 22.3 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -146.1 | 165.5 | 33.3 | 44.6 | -23 | 0 | 0 | 0 | 121.8 | ||||
| 2037 | S | 22.5 | Very low | 22.2 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | trans | 72.2 | 154.9 | 142.5 | -74.2 | 0 | 0 | 0 | 0 | 120.9 | E2035 | E2035-S2037 PolarHBondContact OE2-N 3.14Š| ||
| 2038 | I | 22.5 | Very low | 22.3 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -150.7 | 142.5 | 0.4 | -123.5 | 159.8 | 0 | 0 | 0 | 113.3 | ||||
| 2039 | M | 21 | Very low | 22.2 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 32.6 | 127.9 | 155.5 | -55.9 | 177.7 | -164.7 | 0 | 0 | 123.3 | ||||
| 2040 | M | 22 | Very low | 22.2 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | -146.1 | 136.2 | 109.4 | -105.8 | -63.1 | -89.2 | 0 | 0 | 111.6 | |||||
| 2041 | R | 22.2 | Very low | 22.2 | Very low | 235 Ų | 235 | 149.6 Ų | 149.6 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -94.8 | 159.5 | 168.1 | -71.1 | 173.2 | 168.4 | 177.1 | -5.5 | 108.7 | ||||
| 2042 | G | 21.7 | Very low | 22.4 | Very low | 62 Ų | 62 | 145 Ų | 145 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | cis | 153.6 | 140.6 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2043 | L | 24.3 | Very low | 22.2 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -146.2 | 111.3 | 164.5 | -77.7 | 170.6 | 0 | 0 | 0 | 104 | ||||
| 2044 | V | 22.6 | Very low | 22.3 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | 73.4 | 75.6 | 35 | -165 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2045 | E | 23.4 | Very low | 22.2 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -150.5 | 112.2 | 115.2 | -101.8 | 169.6 | -177.1 | 0 | 0 | 106.8 | |||||
| 2046 | Q | 21.9 | Very low | 22.4 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | 83.2 | 100.7 | 93.2 | -82 | -172.6 | 18.2 | 0 | 0 | 112.5 | |||||
| 2047 | T | 21.1 | Very low | 21.9 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | 68.2 | 122.9 | 104.2 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2048 | D | 20.8 | Very low | 22 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | cis | -153.7 | 172.3 | 38.4 | -98.7 | -46 | 0 | 0 | 0 | 116.2 | ||||
| 2049 | L | 18.8 | Very low | 22 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 151.2 | 164 | -72.1 | 165.1 | 0 | 0 | 0 | 110.5 | ||||
| 2050 | P | 22.1 | Very low | 22 | Very low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -146.7 | 156.9 | 78.6 | 38.8 | -21.1 | 0 | 0 | 0 | 117.7 | |||||
| 2051 | V | 19.4 | Very low | 22 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -60.3 | 142.3 | 157.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2052 | V | 23.6 | Very low | 21.9 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -162.1 | 138.7 | 141 | 136.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2053 | H | 19.7 | Very low | 21.8 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -83.5 | -174.5 | 176.8 | -130.1 | -121.4 | 0 | 0 | 0 | 111.2 | ||||
| 2054 | I | 20.9 | Very low | 21.7 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | 94.1 | 94.3 | 167.2 | -51 | 170.2 | 0 | 0 | 0 | 116.5 | ||||
| 2055 | N | 21.6 | Very low | 22 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 63.8 | 118.7 | 130.2 | -133.9 | -0.1 | 0 | 0 | 0 | 120.6 | ||||
| 2056 | P | 26.2 | Very low | 21.7 | Very low | 114 Ų | 114 | 150 Ų | 150 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -89 | 123.7 | -178.2 | 33.6 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 2057 | Q | 21.3 | Very low | 21.6 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | -172 | 114.2 | 137.7 | -87.5 | -124.6 | 6.3 | 0 | 0 | 113 | ||||
| 2058 | R | 24.3 | Very low | 21.5 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 75% | 0.751 | 78% | 0.778 | S | S | * | * | trans | 63 | 95.9 | 161.8 | -55.9 | -172.3 | -179 | -157.3 | -4 | 119.7 | ||||
| 2059 | G | 22.4 | Very low | 21.5 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | -81.3 | 148.4 | 127.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2060 | R | 22.5 | Very low | 21.5 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | cis | 70 | 92.3 | 11.2 | -128.8 | -177.1 | -164.2 | -172.5 | 6.4 | 115 | ||||
| 2061 | I | 21.9 | Very low | 21.5 | Very low | 173 Ų | 173 | 148 Ų | 148 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -87.5 | 146.4 | 158.5 | -65.9 | 174.5 | 0 | 0 | 0 | 107.8 | ||||
| 2062 | S | 19.8 | Very low | 21.5 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -98.6 | 146.2 | -169 | -163.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2063 | T | 19.5 | Very low | 21.4 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | -178.3 | 169.6 | 78.5 | 38.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2064 | R | 21.3 | Very low | 21.5 | Very low | 232 Ų | 232 | 146.7 Ų | 146.7 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | cis | -150.5 | 176.9 | -4.4 | -120.6 | 173.6 | -179 | -156.3 | 0.4 | 107.9 | ||||
| 2065 | P | 29 | Very low | 21.5 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 66% | 0.656 | 73% | 0.733 | S | S | * | * | trans | -103.2 | -172.5 | -164.1 | 39.3 | -35.8 | 0 | 0 | 0 | 117 | ||||
| 2066 | Y | 18.1 | Very low | 21.6 | Very low | 201 Ų | 201 | 144.3 Ų | 144.3 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | trans | 88.3 | 142.2 | 178.5 | -67.7 | -93.9 | 0 | 0 | 0 | 116.9 | ||||
| 2067 | Q | 19.6 | Very low | 21.4 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | cis | -168.5 | 145.1 | -30.7 | -147.1 | 176.3 | 6.1 | 0 | 0 | 111.8 | ||||
| 2068 | S | 19 | Very low | 21.4 | Very low | 88 Ų | 88 | 144.6 Ų | 144.6 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | trans | 51.2 | 139.6 | 148.3 | 51.8 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 2069 | N | 20.3 | Very low | 21.3 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 71.2 | 157.3 | 151.3 | -65.3 | 29.8 | 0 | 0 | 0 | 119.6 | ||||
| 2070 | E | 19.9 | Very low | 21.2 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -165.6 | 148.2 | -19.4 | -109 | 174.1 | 141 | 0 | 0 | 113.1 | ||||
| 2071 | T | 20.4 | Very low | 21 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | trans | 60.6 | 139.3 | 149.5 | 63.6 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 2072 | N | 20.2 | Very low | 20.8 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | trans | 82.7 | 105.4 | 136.5 | -80 | -38.8 | 0 | 0 | 0 | 126.5 | ||||
| 2073 | Q | 21.6 | Very low | 20.8 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | 84.6 | 135.5 | 116.7 | -87.8 | -175.2 | 76.9 | 0 | 0 | 127.3 | |||||
| 2074 | L | 21.3 | Very low | 21.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | 95 | 107.3 | 145.5 | -67.9 | 164 | 0 | 0 | 0 | 125.6 | ||||
| 2075 | K | 21.6 | Very low | 21.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 45% | 0.452 | 70% | 0.7 | S | S | . | * | 74.6 | 121.4 | 125.6 | -78.7 | -165.7 | 176.1 | -141.7 | 0 | 128.1 | Q2114 | K2075-Q2114 WeakPolarHBondContact CD-O 3.34Å; K2075-Q2114 WeakPolarHBondContact CE-O 3.17Å; K2075-Q2114 PolarHBondContact NZ-O 3.46Å | |||
| 2076 | M | 23 | Very low | 21 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | 69.5 | 138.9 | 120.7 | -72.9 | -55 | -152.6 | 0 | 0 | 127.5 | |||||
| 2077 | E | 22.4 | Very low | 21.1 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | 73.8 | 109.7 | 142.8 | -73.8 | -159.3 | 120.2 | 0 | 0 | 126.8 | ||||
| 2078 | N | 21.9 | Very low | 21.1 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 65% | 0.647 | 71% | 0.71 | S | S | * | * | 70.8 | 135.3 | 119 | -74.3 | -24 | 0 | 0 | 0 | 126.4 | |||||
| 2079 | N | 21.6 | Very low | 21.1 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | 84.7 | 114.7 | 141.8 | -71.4 | -18 | 0 | 0 | 0 | 124.5 | ||||
| 2080 | N | 19.8 | Very low | 21.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | 72.7 | 116.4 | 126.5 | -60.3 | -19.6 | 0 | 0 | 0 | 124.1 | |||||
| 2081 | N | 18.2 | Very low | 21.2 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | 76.9 | 128.5 | 127.2 | -68.5 | -11.2 | 0 | 0 | 0 | 124.2 | |||||
| 2082 | T | 18.6 | Very low | 21.1 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 87.2 | 105.3 | 137.8 | -58.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2083 | M | 19.5 | Very low | 21.1 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | trans | 63.4 | 174.8 | 148.5 | -72.5 | -68.3 | 160 | 0 | 0 | 117.6 | ||||
| 2084 | P | 27.8 | Very low | 21 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | cis | -120.6 | -164.2 | -0.8 | 45.3 | -30 | 0 | 0 | 0 | 113.3 | ||||
| 2085 | P | 28 | Very low | 21 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | -112 | -178 | -172.1 | 41.2 | -32.2 | 0 | 0 | 0 | 114.9 | ||||
| 2086 | Y | 19.1 | Very low | 20.9 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | 179.2 | 177.5 | 125.6 | -110.5 | -90 | 0 | 0 | 0 | 114.4 | |||||
| 2087 | K | 20.1 | Very low | 20.7 | Very low | 176 Ų | 176 | 146.8 Ų | 146.8 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -112 | 152.9 | -164.8 | -46.7 | 162.6 | 178.5 | 173.1 | 0 | 114.7 | ||||
| 2088 | S | 19 | Very low | 20.6 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -175.5 | 126.6 | 138.8 | 49.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2089 | I | 19.4 | Very low | 20.5 | Very low | 160 Ų | 160 | 146 Ų | 146 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | 69.8 | 116.7 | 57.6 | -58.7 | 172.2 | 0 | 0 | 0 | 112.6 | |||||
| 2090 | G | 21.4 | Very low | 20.4 | Very low | 77 Ų | 77 | 147 Ų | 147 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 171.9 | 120.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2091 | H | 19.6 | Very low | 20.3 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -81.1 | 154.5 | -164.6 | -93.7 | -102 | 0 | 0 | 0 | 119.1 | ||||
| 2092 | D | 19.5 | Very low | 20.5 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | trans | 62.8 | 134.5 | 137.6 | -84.7 | -71.5 | 0 | 0 | 0 | 126.8 | ||||
| 2093 | R | 19 | Very low | 20.6 | Very low | 230 Ų | 230 | 157.1 Ų | 157.1 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | 78.9 | 152.2 | 143.2 | -74.7 | 179.4 | -175.1 | -146.5 | -1.2 | 122.5 | ||||
| 2094 | I | 19.4 | Very low | 20.8 | Very low | 153 Ų | 153 | 158 Ų | 158 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -119.8 | 139.8 | -167.7 | -62.3 | 162.7 | 0 | 0 | 0 | 109 | ||||
| 2095 | P | 21.7 | Very low | 20.5 | Very low | 123 Ų | 123 | 158.2 Ų | 158.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -115 | 162.5 | 137.5 | 35.2 | -29.5 | 0 | 0 | 0 | 111.7 | ||||
| 2096 | Q | 19 | Very low | 20.2 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -93.6 | 167.8 | -174.7 | -63.5 | -175.7 | -35.4 | 0 | 0 | 113.6 | ||||
| 2097 | Y | 19 | Very low | 20.3 | Very low | 203 Ų | 203 | 157.9 Ų | 157.9 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 56.6 | 103.4 | 160.6 | -74.2 | -73.2 | 0 | 0 | 0 | 118.5 | ||||
| 2098 | T | 20.6 | Very low | 20.4 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 95% | 0.945 | 78% | 0.778 | S | S | * | * | -161.2 | 152.8 | 123.5 | 7.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 2099 | S | 19.6 | Very low | 20.5 | Very low | 107 Ų | 107 | 155 Ų | 155 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -140.6 | 92.1 | -178.4 | 58 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2100 | D | 19.4 | Very low | 20.5 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -160.5 | 139.2 | 166.6 | -99.9 | -33.1 | 0 | 0 | 0 | 113.6 | ||||
| 2101 | Y | 18.7 | Very low | 20.5 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 39.4 | 138.3 | 150.5 | -76.8 | -87.5 | 0 | 0 | 0 | 125.9 | ||||
| 2102 | R | 22.1 | Very low | 20.6 | Very low | 217 Ų | 217 | 150.6 Ų | 150.6 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | trans | 95 | 102 | 149.7 | -55.6 | -146.4 | -179 | -170.5 | 2.2 | 121.9 | ||||
| 2103 | K | 20.1 | Very low | 20.7 | Very low | 179 Ų | 179 | 150 Ų | 150 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | 35.8 | 148.2 | 108.2 | -158.7 | 177.5 | -178 | -171.5 | 0 | 121.7 | |||||
| 2104 | Y | 23.7 | Very low | 20.7 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 74% | 0.737 | 76% | 0.763 | S | S | * | * | trans | 107.1 | 145.8 | 174.6 | -62.7 | -55.7 | 0 | 0 | 0 | 113 | ||||
| 2105 | D | 21.8 | Very low | 20.7 | Very low | 124 Ų | 124 | 148 Ų | 148 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | cis | -171.3 | -178.5 | -24.5 | -110.5 | 13.3 | 0 | 0 | 0 | 111.6 | ||||
| 2106 | L | 22.5 | Very low | 20.6 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 86.7 | 123.7 | 151.7 | -71.4 | 141.3 | 0 | 0 | 0 | 125.7 | ||||
| 2107 | L | 21.3 | Very low | 20.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 57.7 | 154.5 | 139.5 | -102.6 | 50.7 | 0 | 0 | 0 | 123.8 | ||||
| 2108 | G | 21.6 | Very low | 20.7 | Very low | 59 Ų | 59 | 140.7 Ų | 140.7 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | cis | 173.9 | -177.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2109 | N | 20.9 | Very low | 20.6 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | 86.8 | 157.9 | 169 | -54.1 | -19 | 0 | 0 | 0 | 121 | ||||
| 2110 | S | 19.9 | Very low | 20.6 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | cis | -175.8 | 147.3 | -34.4 | -85.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2111 | T | 21.2 | Very low | 20.5 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | 63.9 | 162.4 | 152 | 47 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2112 | S | 21.9 | Very low | 20.6 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | cis | 176.4 | 159.8 | -38.9 | 63.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2113 | V | 20.6 | Very low | 20.5 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | 101 | 151.3 | 146.7 | 160.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 2114 | Q | 20 | Very low | 20.6 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | 88.9 | 153.7 | 165.9 | -92 | -162.6 | 97.7 | 0 | 0 | 123.4 | K2075 | K2075-Q2114 WeakPolarHBondContact CD-O 3.34Å; K2075-Q2114 WeakPolarHBondContact CE-O 3.17Å; K2075-Q2114 PolarHBondContact NZ-O 3.46Å | ||
| 2115 | K | 19.8 | Very low | 20.9 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | -174.3 | 112.9 | -160.1 | 174.7 | -161.1 | 175.3 | -173.5 | 0 | 117.3 | ||||
| 2116 | T | 19.3 | Very low | 21.6 | Very low | 140 Ų | 140 | 132 Ų | 132 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -163.6 | 144.7 | 159 | 14.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2117 | A | 20.8 | Very low | 21.7 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 71 | 128.4 | 145 | 0 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 2118 | S | 18.7 | Very low | 21.8 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 63.6 | 105.3 | 137.8 | 59 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 2119 | Y | 18.3 | Very low | 22 | Very low | 221 Ų | 221 | 134.4 Ų | 134.4 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | 52.8 | 132.8 | 119.5 | -82.7 | -76.5 | 0 | 0 | 0 | 125.3 | |||||
| 2120 | I | 19.6 | Very low | 22 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 77.3 | 138.5 | 155.8 | -60 | 166.9 | 0 | 0 | 0 | 116.6 | ||||
| 2121 | S | 18.6 | Very low | 22 | Very low | 119 Ų | 119 | 133 Ų | 133 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -112.4 | 131.9 | -162 | -49.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2122 | T | 20.7 | Very low | 21.9 | Very low | 119 Ų | 119 | 134 Ų | 134 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -81.1 | 151.4 | 164.7 | 55.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2123 | S | 19.7 | Very low | 21.7 | Very low | 98 Ų | 98 | 138 Ų | 138 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | 65 | 134 | 44.7 | 79.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2124 | S | 21 | Very low | 21.5 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | 64.9 | 133.7 | -160.4 | 76 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2125 | Y | 31.3 | Very low | 21.5 | Very low | 229 Ų | 229 | 138.8 Ų | 138.8 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | cis | 62 | 122.7 | 40.4 | -65.8 | -87 | 0 | 0 | 0 | 112.8 | ||||
| 2126 | P | 35.7 | Very low | 21.5 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 58% | 0.584 | 77% | 0.774 | S | S | * | * | cis | -128.1 | -159.2 | 15 | 44.5 | -28.3 | 0 | 0 | 0 | 114.4 | ||||
| 2127 | N | 23.8 | Very low | 21.7 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | 39.5 | 103.3 | 160.7 | -76.8 | 4.2 | 0 | 0 | 0 | 120 | ||||
| 2128 | Q | 25 | Very low | 21.6 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -131.7 | 175 | 157.9 | -55.9 | -178.5 | 0.3 | 0 | 0 | 107 | ||||
| 2129 | S | 24.3 | Very low | 21.6 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -155.6 | 117.1 | 16.4 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2130 | S | 21.5 | Very low | 21.7 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -162.1 | 111.8 | 164.7 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2131 | S | 19.6 | Very low | 21.7 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -167.1 | 175.1 | 150.1 | -161.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2132 | I | 19.5 | Very low | 22.1 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | 74.3 | 114.8 | 172.9 | -57.7 | 175.1 | 0 | 0 | 0 | 114.8 | ||||
| 2133 | Q | 17.3 | Very low | 22 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -84.7 | -179.5 | 160.1 | -69.5 | -175.2 | -95 | 0 | 0 | 110.6 | ||||
| 2134 | F | 17.4 | Very low | 22 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | 86 | 139.3 | -170.2 | -52.9 | -70.9 | 0 | 0 | 0 | 111.9 | ||||
| 2135 | S | 19.8 | Very low | 22.1 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -146.3 | 162.6 | 15.5 | -35.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2136 | D | 19.9 | Very low | 21.9 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | 54.9 | -173.8 | 137.9 | -54.4 | -25.6 | 0 | 0 | 0 | 122 | ||||
| 2137 | S | 22.7 | Very low | 21.3 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | trans | 69.8 | 95.9 | 175.9 | 58.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2138 | D | 19.5 | Very low | 21.3 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -25.9 | 158.2 | 159.4 | -72.1 | -81.6 | 0 | 0 | 0 | 120.2 | F2140 | D2138-F2140 PolarHBondContact O-N 3.48Š| ||
| 2139 | K | 18.4 | Very low | 21 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 59% | 0.591 | 74% | 0.743 | S | S | * | * | trans | -47.6 | 122 | 153.5 | -65.5 | 170.4 | 162.3 | -164.7 | 0 | 111.1 | ||||
| 2140 | F | 20.8 | Very low | 20.9 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | trans | -151.6 | 125 | 136.7 | -100.9 | -72.5 | 0 | 0 | 0 | 111.2 | D2138 | D2138-F2140 PolarHBondContact O-N 3.48Š| ||
| 2141 | N | 19.3 | Very low | 21 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -64 | 159.7 | 144.1 | -83.2 | -9.6 | 0 | 0 | 0 | 107.5 | ||||
| 2142 | P | 26.1 | Very low | 21.2 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | cis | -142.4 | -144.9 | 26.3 | 29.5 | -2.6 | 0 | 0 | 0 | 112.6 | ||||
| 2143 | V | 19.2 | Very low | 21.1 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | 88.9 | 113.2 | 158.7 | -171.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 2144 | S | 20 | Very low | 21.2 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | trans | -60.2 | 158.6 | 169 | 51.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2145 | S | 23.8 | Very low | 21.4 | Very low | 45 Ų | 45 | 134.3 Ų | 134.3 | 32% | 0.315 | 71% | 0.707 | S | S | . | * | 126.7 | 120.5 | 121.2 | 81 | 0 | 0 | 0 | 0 | 116 | H2201 | S2145-H2201 PolarHBondContact OG-N 3.15Å; S2145-H2201 PolarHBondContact OG-O 2.72Å | |||
| 2146 | Q | 25.8 | Very low | 21.4 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | trans | -147.2 | 99.8 | 158.2 | -68.2 | -172.5 | -17.3 | 0 | 0 | 105.2 | ||||
| 2147 | N | 22.8 | Very low | 21.4 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 54% | 0.535 | 71% | 0.706 | S | S | . | * | 51.5 | 78.8 | 89.2 | -82.1 | -2.6 | 0 | 0 | 0 | 114.4 | C2202 | N2147-C2202 PolarHBondContact ND2-SG 3.35Å; N2147-C2202 VanDerWaalsContact ND2-SG 3.41Å | |||
| 2148 | N | 23.4 | Very low | 21.4 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | -122.6 | 133.1 | 144.7 | -146.6 | -13.2 | 0 | 0 | 0 | 106.7 | ||||
| 2149 | R | 20.2 | Very low | 22.2 | Very low | 222 Ų | 222 | 132.3 Ų | 132.3 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | trans | -139 | 132.9 | -167.2 | -179.4 | -177.9 | 174.9 | -169.9 | -1.6 | 111.3 | ||||
| 2150 | L | 22.2 | Very low | 22.2 | Very low | 155 Ų | 155 | 131 Ų | 131 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | trans | -118.8 | 150.8 | 174.4 | -69.8 | 166.4 | 0 | 0 | 0 | 110.5 | ||||
| 2151 | N | 23.4 | Very low | 22.3 | Very low | 76 Ų | 76 | 132 Ų | 132 | 41% | 0.406 | 70% | 0.702 | S | S | . | * | trans | 61.1 | 143.3 | 169.4 | -56.7 | -5.2 | 0 | 0 | 0 | 115.9 | I1978 | I1978-N2151 WeakPolarHBondContact CD1-ND2 3.25Š| ||
| 2152 | M | 22.6 | Very low | 22.7 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | cis | 65.9 | 126.2 | 47.5 | -63.1 | -163 | 80.4 | 0 | 0 | 113.5 | V2154 | M2152-V2154 HydrophobicContact CE-CG2 4.27Š| ||
| 2153 | E | 18.5 | Very low | 22.7 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | cis | 90.3 | 147.2 | 29.1 | -162.2 | -175.8 | -133 | 0 | 0 | 113.6 | ||||
| 2154 | V | 20 | Very low | 23.2 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | trans | 81.9 | 106.1 | 172.3 | -167.5 | 0 | 0 | 0 | 0 | 119.1 | M2152 | M2152-V2154 HydrophobicContact CE-CG2 4.27Š| ||
| 2155 | H | 21.2 | Very low | 23.3 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 26.3 | 138.1 | 134.6 | -69 | -75.7 | 0 | 0 | 0 | 125 | ||||
| 2156 | N | 19 | Very low | 23.1 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 64.3 | 142.6 | 131.4 | -60.5 | 9.9 | 0 | 0 | 0 | 120.1 | ||||
| 2157 | T | 20.6 | Very low | 23.1 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | cis | -162.6 | 132 | -0.5 | 9.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2158 | S | 22 | Very low | 23.4 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | 62.1 | 162.8 | 147 | 69.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 2159 | P | 37.7 | Very low | 23.3 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | cis | -124.5 | 166.7 | -3.4 | 41.1 | -27.6 | 0 | 0 | 0 | 116.3 | ||||
| 2160 | T | 18.3 | Very low | 23.4 | Very low | 109 Ų | 109 | 132 Ų | 132 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | trans | -53.2 | 146.4 | 162.8 | -53.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2161 | Y | 21.6 | Very low | 23.6 | Very low | 224 Ų | 224 | 130.8 Ų | 130.8 | 88% | 0.878 | 70% | 0.696 | S | S | * | * | -174 | 149.2 | 113.2 | -95 | -74 | 0 | 0 | 0 | 110.8 | |||||
| 2162 | P | 29.2 | Very low | 24.2 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -106.6 | 170 | -161.8 | 40.6 | -34 | 0 | 0 | 0 | 114.7 | ||||
| 2163 | R | 25 | Very low | 24.1 | Very low | 243 Ų | 243 | 131.2 Ų | 131.2 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | trans | -139.7 | 152.5 | 156.6 | -103.4 | -170 | 170.8 | -153.2 | -4.8 | 112 | ||||
| 2164 | P | 30.8 | Very low | 24.4 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | trans | -100.4 | -170.1 | -165.5 | 41.1 | -37.9 | 0 | 0 | 0 | 114.7 | ||||
| 2165 | I | 20.9 | Very low | 24.6 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -89.2 | 141.7 | -175.9 | -46 | 166.7 | 0 | 0 | 0 | 110.5 | ||||
| 2166 | T | 20.1 | Very low | 24.8 | Very low | 90 Ų | 90 | 128 Ų | 128 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | 161.5 | 168.9 | 125.1 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | L2019 | L2019-T2166 HydrophobicContact CD2-CG2 3.61Š| |||
| 2167 | T | 26.3 | Very low | 25 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 50% | 0.497 | 73% | 0.728 | S | S | . | * | trans | -131.9 | 162.1 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 106.8 | L2019 K2020 | L2019-T2167 CarbonylContact C-O 3.18Å; K2020-T2167 WeakPolarHBondContact CB-O 3.24Å; K2020-T2167 WeakPolarHBondContact CD-OG1 3.44Å; K2020-T2167 PolarHBondContact N-O 2.74Å | ||
| 2168 | P | 29.1 | Very low | 25.2 | Very low | 49 Ų | 49 | 127 Ų | 127 | 32% | 0.318 | 73% | 0.726 | S | S | . | * | -170.8 | -154.1 | 87 | 49 | -27.4 | 0 | 0 | 0 | 116.5 | A2018 L2019 K2020 | A2018-P2168 WeakPolarHBondContact O-CD 3.39Å; A2018-P2168 WeakPolarHBondContact O-CG 3.24Å; L2019-P2168 VanDerWaalsContact C-CG 3.45Å; K2020-P2168 HydrophobicContact CB-CB 3.85Å; K2020-P2168 HydrophobicContact CG-CB 4.02Å | |||
| 2169 | S | 20.6 | Very low | 25.2 | Very low | 100 Ų | 100 | 128 Ų | 128 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 110.1 | 130.5 | 141.5 | 70.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2170 | Y | 22.9 | Very low | 24.7 | Very low | 225 Ų | 225 | 127.7 Ų | 127.7 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | trans | -170.4 | 118.9 | -177.3 | -173.4 | -77.8 | 0 | 0 | 0 | 108 | ||||
| 2171 | V | 26.3 | Very low | 24.9 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -160.3 | 153.2 | -176.1 | -133.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2172 | P | 34.8 | Very low | 24.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | -130.3 | -179.1 | -59.2 | 40.8 | -28.5 | 0 | 0 | 0 | 113.4 | |||||
| 2173 | S | 21.2 | Very low | 24.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -131.9 | 154.9 | 153 | -81.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2174 | P | 24.1 | Very low | 24.4 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -111.6 | -165 | -153.7 | 47.9 | -38.8 | 0 | 0 | 0 | 113.1 | ||||
| 2175 | P | 25.7 | Very low | 23.9 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | -132.3 | 162 | -103.1 | 34.3 | -13 | 0 | 0 | 0 | 117.1 | |||||
| 2176 | P | 24.8 | Very low | 24 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -106.2 | 149 | 166 | 37 | -29.6 | 0 | 0 | 0 | 113.8 | ||||
| 2177 | V | 22.5 | Very low | 24.5 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | -155.8 | 144 | -168.9 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2178 | P | 26.2 | Very low | 24.4 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | cis | -135.1 | 175.1 | -31.5 | 41 | -24.2 | 0 | 0 | 0 | 115 | ||||
| 2179 | T | 22 | Very low | 24.1 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 40 | 121.4 | 147.2 | 54.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 2180 | A | 26.8 | Very low | 24.1 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -167.9 | 83.5 | 134.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2181 | E | 21 | Very low | 24 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 21.7 | 152.6 | 154.6 | -59 | -172.7 | 152.3 | 0 | 0 | 125.6 | ||||
| 2182 | Y | 20.7 | Very low | 23.8 | Very low | 217 Ų | 217 | 146.6 Ų | 146.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -139.5 | 143.9 | 180 | -118.1 | -88 | 0 | 0 | 0 | 109.3 | ||||
| 2183 | P | 22.4 | Very low | 23.5 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -102.8 | 132.9 | 160.5 | 34 | -26.9 | 0 | 0 | 0 | 111.5 | ||||
| 2184 | Q | 23.1 | Very low | 23.5 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -136.7 | 127.3 | -178.5 | -171.2 | 169.9 | -6.9 | 0 | 0 | 110.5 | ||||
| 2185 | Y | 20 | Very low | 23.3 | Very low | 231 Ų | 231 | 150.9 Ų | 150.9 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -89.4 | 152.8 | -175.7 | -100.3 | -100.6 | 0 | 0 | 0 | 113.1 | ||||
| 2186 | H | 23.9 | Very low | 22.8 | Very low | 174 Ų | 174 | 157.3 Ų | 157.3 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -113.3 | 154.9 | -173.6 | -107.7 | -97.6 | 0 | 0 | 0 | 113.9 | ||||
| 2187 | P | 30.5 | Very low | 22.6 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -97.5 | 167.4 | 176.5 | 38.8 | -35.7 | 0 | 0 | 0 | 114.2 | ||||
| 2188 | P | 24.8 | Very low | 22.4 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -99.1 | 146.2 | -176.1 | 37.1 | -34.6 | 0 | 0 | 0 | 116.9 | ||||
| 2189 | E | 22.5 | Very low | 22.1 | Very low | 169 Ų | 169 | 159.6 Ų | 159.6 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 42.9 | 103.4 | 146 | -59.4 | -154.2 | 102.7 | 0 | 0 | 123.9 | ||||
| 2190 | R | 19.8 | Very low | 21.9 | Very low | 202 Ų | 202 | 160.2 Ų | 160.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 61.7 | 116 | 105.8 | -165.4 | -178.4 | -159.6 | 169 | 5.8 | 121.1 | |||||
| 2191 | L | 20.9 | Very low | 21.6 | Very low | 171 Ų | 171 | 162.1 Ų | 162.1 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | -158.3 | 161.4 | 123.1 | -107.2 | 172.2 | 0 | 0 | 0 | 111.3 | |||||
| 2192 | E | 22.2 | Very low | 21.4 | Very low | 151 Ų | 151 | 156.7 Ų | 156.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -85.8 | 159.9 | -163.9 | -72.3 | -72.7 | 143.2 | 0 | 0 | 115.4 | ||||
| 2193 | P | 28.3 | Very low | 21.3 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -92.5 | 151 | -175.9 | 36.7 | -33.8 | 0 | 0 | 0 | 114.4 | ||||
| 2194 | V | 21.4 | Very low | 21.1 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | -135.8 | 143.7 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2195 | H | 19 | Very low | 21 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -86.7 | 157.2 | -167.8 | -166.6 | -85.4 | 0 | 0 | 0 | 114.1 | ||||
| 2196 | W | 16.5 | Very low | 20.9 | Very low | 242 Ų | 242 | 141.1 Ų | 141.1 | 92% | 0.917 | 74% | 0.735 | S | S | * | * | trans | -83 | 142.1 | 175.4 | -73.8 | -48.5 | 0 | 0 | 0 | 113.7 | ||||
| 2197 | S | 19.4 | Very low | 20.7 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | 119.5 | 130.7 | 153.6 | 73.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2198 | T | 18.4 | Very low | 20.2 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | trans | 161.5 | 153.3 | 142.4 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2199 | Y | 20.2 | Very low | 20 | Very low | 184 Ų | 184 | 142 Ų | 142 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 74.5 | 141.5 | -174.8 | -65.2 | -81.3 | 0 | 0 | 0 | 117.5 | ||||
| 2200 | K | 18.1 | Very low | 19.8 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 64% | 0.635 | 73% | 0.733 | S | S | * | * | cis | 98.7 | 95.3 | -3.5 | -51.4 | 170.4 | 179.1 | 175.3 | 0 | 119.7 | ||||
| 2201 | H | 19.9 | Very low | 20 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | trans | -172.1 | 120.2 | 139.6 | -101.2 | -84.8 | 0 | 0 | 0 | 107.4 | S2145 | S2145-H2201 PolarHBondContact OG-N 3.15Å; S2145-H2201 PolarHBondContact OG-O 2.72Å | ||
| 2202 | C | 17.8 | Very low | 20.1 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 56% | 0.561 | 73% | 0.726 | S | S | * | * | 52.3 | 132.7 | 81 | -65.3 | 0 | 0 | 0 | 0 | 113.9 | N2147 | N2147-C2202 PolarHBondContact ND2-SG 3.35Å; N2147-C2202 VanDerWaalsContact ND2-SG 3.41Å | |||
| 2203 | S | 18.6 | Very low | 19.9 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | cis | -166.9 | -171.7 | 7.2 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2204 | S | 18.7 | Very low | 19.5 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | trans | 66 | 150.3 | 159.5 | 28.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2205 | T | 19.6 | Very low | 19.4 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | cis | -169.6 | 157.7 | -3.3 | 26.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 2206 | N | 19.1 | Very low | 19.4 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | cis | -159 | -176.1 | -1.8 | -123.5 | 18.8 | 0 | 0 | 0 | 110.4 | ||||
| 2207 | E | 18 | Very low | 19.6 | Very low | 170 Ų | 170 | 122 Ų | 122 | 79% | 0.794 | 69% | 0.685 | S | S | * | * | trans | 33 | 145.8 | 140.9 | -63.3 | 158.7 | 154.6 | 0 | 0 | 121.6 | ||||
| 2208 | S | 20.4 | Very low | 19.6 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | cis | -158.2 | 161.2 | 26.9 | 83.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2209 | H | 20.4 | Very low | 19.7 | Very low | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | trans | 48.8 | 101.5 | 153.7 | -54.1 | -53.4 | 0 | 0 | 0 | 123.4 | ||||
| 2210 | L | 19.5 | Very low | 19.7 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | 49.7 | 133.8 | 115.6 | -64.5 | 170 | 0 | 0 | 0 | 122.6 | |||||
| 2211 | S | 23 | Very low | 19.7 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | -70.1 | 166.9 | 167.4 | -36.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2212 | P | 23.7 | Very low | 19.6 | Very low | 110 Ų | 110 | 112 Ų | 112 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | -150.3 | 173.2 | 93.8 | 41.3 | -25.8 | 0 | 0 | 0 | 116 | |||||
| 2213 | M | 17.7 | Very low | 19.7 | Very low | 155 Ų | 155 | 109.7 Ų | 109.7 | 76% | 0.764 | 63% | 0.63 | S | S | * | * | trans | 45.9 | 164 | 144.2 | -72.1 | 175.3 | 74.3 | 0 | 0 | 122.5 | ||||
| 2214 | S | 19.4 | Very low | 19.7 | Very low | 54 Ų | 54 | 110.7 Ų | 110.7 | 38% | 0.378 | 63% | 0.633 | S | S | . | * | cis | -174.2 | 173.7 | -39.3 | 60.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2215 | T | 19.7 | Very low | 19.8 | Very low | 122 Ų | 122 | 111.5 Ų | 111.5 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | 62.9 | 125.5 | 152.9 | 43.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2216 | N | 18.4 | Very low | 19.7 | Very low | 152 Ų | 152 | 112.2 Ų | 112.2 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | trans | -63.7 | 157.5 | 171.8 | -51.1 | -40.1 | 0 | 0 | 0 | 113 | ||||
| 2217 | P | 22.1 | Very low | 19.7 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 51% | 0.506 | 64% | 0.639 | S | S | . | * | -117.3 | 146.2 | 101.3 | -4.5 | 24.5 | 0 | 0 | 0 | 111.8 | |||||
| 2218 | I | 19.7 | Very low | 19.7 | Very low | 145 Ų | 145 | 108.5 Ų | 108.5 | 74% | 0.744 | 64% | 0.635 | S | S | * | * | 61.7 | 94.8 | 67.1 | -58.5 | 173.8 | 0 | 0 | 0 | 110.3 | |||||
| 2219 | N | 19.1 | Very low | 19.7 | Very low | 98 Ų | 98 | 110.1 Ų | 110.1 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | 88.7 | 160.4 | 81.6 | -164 | 9.8 | 0 | 0 | 0 | 112.7 | S637 | S637-N2219 WeakPolarHBondContact CB-OD1 3.28Š| |||
| 2220 | V | 19.9 | Very low | 19.7 | Very low | 75 Ų | 75 | 112.2 Ų | 112.2 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | 82.3 | 92.3 | 171.2 | -161.6 | 0 | 0 | 0 | 0 | 118.4 | S637 | S637-V2220 WeakPolarHBondContact OG-CA 3.28Š| ||
| 2221 | Q | 18.4 | Very low | 19.8 | Very low | 98 Ų | 98 | 108 Ų | 108 | 46% | 0.458 | 63% | 0.625 | S | S | . | * | 28.9 | 133.8 | 124.6 | -101.8 | 170.4 | -22.5 | 0 | 0 | 122.6 | S637 T638 | S637-Q2221 VanDerWaalsContact CA-OE1 3.25Å; S637-Q2221 WeakPolarHBondContact OG-CB 3.39Å; S637-Q2221 VanDerWaalsContact OG-CG 3.24Å; S637-Q2221 WeakPolarHBondContact OG-CG 3.22Å; S637-Q2221 PolarHBondContact OG-N 3.08Å; T638-Q2221 HydrophobicContact CG2-CG 4.25Å | |||
| 2222 | S | 17.6 | Very low | 19.6 | Very low | 65 Ų | 65 | 107.6 Ų | 107.6 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | trans | 17.6 | 132.5 | 130.8 | 64.7 | 0 | 0 | 0 | 0 | 120.2 | T2224 | S2222-T2224 WeakPolarHBondContact CB-OG1 3.34Å; S2222-T2224 PolarHBondContact O-OG1 2.87Å; S2222-T2224 PolarHBondContact OG-OG1 3.29Å | ||
| 2223 | P | 21.6 | Very low | 19.4 | Very low | 35 Ų | 35 | 106 Ų | 106 | 23% | 0.227 | 60% | 0.598 | C | S | . | * | -84 | 145.2 | 98.2 | -19.4 | 31.3 | 0 | 0 | 0 | 110.4 | N607 | N607-P2223 WeakPolarHBondContact OD1-CD 3.2Å; N607-P2223 WeakPolarHBondContact OD1-CG 3.47Å | |||
| 2224 | T | 18.8 | Very low | 19.5 | Very low | 110 Ų | 110 | 105.4 Ų | 105.4 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | cis | 48 | 81.4 | -1.4 | 60.5 | 0 | 0 | 0 | 0 | 116.8 | S2222 | S2222-T2224 WeakPolarHBondContact CB-OG1 3.34Å; S2222-T2224 PolarHBondContact O-OG1 2.87Å; S2222-T2224 PolarHBondContact OG-OG1 3.29Å | ||
| 2225 | T | 19.2 | Very low | 19.5 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 67% | 0.669 | 61% | 0.609 | S | S | * | * | -152 | 142 | 121.1 | 22 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 2226 | N | 18.7 | Very low | 19.5 | Very low | 135 Ų | 135 | 108.5 Ų | 108.5 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | trans | 44.6 | 106.1 | 141.4 | -51.6 | -14.2 | 0 | 0 | 0 | 117.9 | ||||
| 2227 | S | 18.4 | Very low | 19.6 | Very low | 103 Ų | 103 | 108.7 Ų | 108.7 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | 72.5 | 146.5 | 58.9 | 85.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2228 | S | 18.5 | Very low | 19.6 | Very low | 103 Ų | 103 | 112.9 Ų | 112.9 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | trans | 77.7 | 148.8 | 155.1 | -111.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2229 | L | 19.2 | Very low | 19.9 | Very low | 126 Ų | 126 | 111.1 Ų | 111.1 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | trans | 55.9 | 103.7 | 147.4 | -64 | 162.7 | 0 | 0 | 0 | 118.5 | P2231 | L2229-P2231 HydrophobicContact CD2-CB 4.33Š| ||
| 2230 | K | 21.3 | Very low | 20 | Very low | 205 Ų | 205 | 113 Ų | 113 | 89% | 0.891 | 63% | 0.628 | S | S | * | * | -77.6 | 123.8 | 110.9 | -87.1 | -159.8 | 169.2 | -164.9 | 0 | 108.8 | |||||
| 2231 | P | 20.8 | Very low | 20 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 50% | 0.5 | 65% | 0.645 | S | S | . | * | trans | -88.2 | -175.4 | 168.3 | 39.4 | -36 | 0 | 0 | 0 | 110.3 | L2229 | L2229-P2231 HydrophobicContact CD2-CB 4.33Š| ||
| 2232 | M | 18.7 | Very low | 20.2 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 51% | 0.512 | 66% | 0.662 | S | S | . | * | trans | 66.7 | 148.9 | 157.3 | -61.4 | -33.3 | -132.1 | 0 | 0 | 116.9 | ||||
| 2233 | D | 20.7 | Very low | 20.4 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 42% | 0.417 | 67% | 0.669 | S | S | . | * | cis | -159.5 | 168.8 | -8.8 | -129.3 | -25.5 | 0 | 0 | 0 | 110.7 | ||||
| 2234 | Q | 20.4 | Very low | 20.4 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | trans | 50.9 | 165.8 | 143.2 | -68.2 | 170.6 | 58.4 | 0 | 0 | 119.8 | ||||
| 2235 | L | 18.3 | Very low | 20.5 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | cis | -150 | -178 | -41 | -115.3 | 171.3 | 0 | 0 | 0 | 106.3 | ||||
| 2236 | T | 19.8 | Very low | 21 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | trans | -51 | 141.4 | 169 | 47.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2237 | N | 20.1 | Very low | 21.6 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 83% | 0.834 | 71% | 0.705 | S | S | * | * | -169.7 | 145.4 | 113.4 | -92.3 | -4 | 0 | 0 | 0 | 113.5 | |||||
| 2238 | M | 23 | Very low | 22.1 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -88.7 | 157.4 | 152.6 | -72.8 | -74.1 | -160.4 | 0 | 0 | 107.4 | ||||
| 2239 | P | 25.2 | Very low | 22.3 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | -147 | 142.3 | 83.2 | 35 | -15.4 | 0 | 0 | 0 | 117 | |||||
| 2240 | D | 21.3 | Very low | 22.3 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | 53.3 | 172.2 | 122.4 | -48.4 | -39.2 | 0 | 0 | 0 | 124.5 | |||||
| 2241 | S | 20.8 | Very low | 22.3 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | trans | 77.5 | 138.8 | 169.6 | 74.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2242 | D | 21.5 | Very low | 22.5 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | cis | -164.3 | 178.4 | -32.7 | -135.9 | -51.6 | 0 | 0 | 0 | 113.2 | ||||
| 2243 | S | 22.5 | Very low | 22.6 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | trans | 108.1 | 136 | 139.4 | 81.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2244 | N | 21.9 | Very low | 22.6 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 79.9 | 87.2 | 147 | -59 | -30.6 | 0 | 0 | 0 | 122.5 | ||||
| 2245 | Y | 21.3 | Very low | 22.7 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | 23.4 | 162.8 | 104 | -74.1 | -76.2 | 0 | 0 | 0 | 121.6 | |||||
| 2246 | P | 29.2 | Very low | 22.9 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | cis | -130 | -136 | -6.6 | 29 | -2.1 | 0 | 0 | 0 | 113.3 | ||||
| 2247 | P | 31.6 | Very low | 23 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | -126.5 | -139 | -96.9 | 49 | -31.2 | 0 | 0 | 0 | 114.6 | |||||
| 2248 | P | 28.2 | Very low | 23 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -135.3 | -145.9 | -134.1 | 40.5 | -13.8 | 0 | 0 | 0 | 115.4 | ||||
| 2249 | L | 21.9 | Very low | 23 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 98.7 | 159.2 | 169.5 | -58.2 | 171.7 | 0 | 0 | 0 | 117.8 | ||||
| 2250 | S | 20.2 | Very low | 22.9 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | 176.9 | 154 | -87.7 | 65.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 2251 | K | 19.9 | Very low | 22.9 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | trans | 69.4 | 151.2 | 174.6 | -48.2 | 164.7 | -174.5 | 173.1 | 0 | 112.4 | ||||
| 2252 | Y | 26.4 | Very low | 23.1 | Very low | 213 Ų | 213 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | cis | -127.5 | -171 | 10.8 | -81.9 | -108.9 | 0 | 0 | 0 | 109.7 | ||||
| 2253 | S | 20.8 | Very low | 23.2 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | cis | -176.1 | 157.6 | -47.4 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2254 | N | 20.9 | Very low | 23.7 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 64.5 | 155.3 | 177.3 | -57.6 | -51.4 | 0 | 0 | 0 | 116.8 | ||||
| 2255 | K | 21 | Very low | 24.1 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | cis | -153.6 | 163.3 | -30.5 | -111.7 | 177.3 | -175.3 | -179.2 | 0 | 107.2 | ||||
| 2256 | P | 22.7 | Very low | 25.3 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -92.8 | 156.4 | -156.9 | 35.6 | -37.4 | 0 | 0 | 0 | 116.2 | ||||
| 2257 | V | 21.7 | Very low | 27.5 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -155 | 133.7 | 146.8 | 128.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 2258 | V | 21.6 | Very low | 29.6 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | 22.2 | 109.4 | 160.1 | -169.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2259 | F | 22.4 | Very low | 31.9 | Very low | 209 Ų | 209 | 124.5 Ų | 124.5 | 92% | 0.917 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 133.4 | 152.5 | -89.9 | -95.1 | 0 | 0 | 0 | 110.8 | ||
| 2260 | R | 22.9 | Very low | 34.6 | Very low | 242 Ų | 242 | 118.8 Ų | 118.8 | 91% | 0.913 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 128 | 160.7 | -77.2 | -172.8 | 174 | -170.7 | -0.7 | 109.6 | ||
| 2261 | S | 22.3 | Very low | 37.6 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 165.8 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 2262 | S | 23.3 | Very low | 40.9 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | trans | 54.9 | 100.9 | 168.4 | 52.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2263 | S | 25.4 | Very low | 43.7 | Very low | 109 Ų | 109 | 109 Ų | 109 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.2 | 151.3 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 2264 | P | 31.9 | Very low | 46.9 | Very low | 105 Ų | 105 | 107 Ų | 107 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 142.4 | -179.7 | -24.4 | 34.6 | 0 | 0 | 0 | 113.6 | ||
| 2265 | T | 31.1 | Very low | 50 | Low | 120 Ų | 120 | 100.7 Ų | 100.7 | 74% | 0.736 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 161.3 | 172.2 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | S2267 | T2265-S2267 VanDerWaalsContact C-N 3.31Å; T2265-S2267 PolarHBondContact O-N 3.46Å |
| 2266 | S | 46.4 | Very low | 53 | Low | 131 Ų | 131 | 96 Ų | 96 | 92% | 0.916 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -71.6 | 71.1 | -170 | 57 | 0 | 0 | 0 | 0 | 114.4 | ||
| 2267 | S | 76 | Confident | 56 | Low | 36 Ų | 36 | 93.8 Ų | 93.8 | 25% | 0.252 | 54% | 0.539 | S | S | . | . | trans | -111.7 | 140.7 | 166.5 | 166.9 | 0 | 0 | 0 | 0 | 110 | T2265 A2269 S2270 R2271 E2315 | T2265-S2267 VanDerWaalsContact C-N 3.31Å; T2265-S2267 PolarHBondContact O-N 3.46Å; S2267-A2269 PolarHBondContact O-N 3.27Å; S2267-A2269 WeakPolarHBondContact OG-CB 3.36Å; S2267-A2269 PolarHBondContact OG-N 2.78Å; S2267-A2269 VanDerWaalsContact OG-N 3.11Å; S2267-S2270 WeakPolarHBondContact O-CB 3.4Å; S2267-S2270 PolarHBondContact O-N 3.02Å; S2267-R2271 PolarHBondContact O-N 3.49Å; S2267-R2271 VanDerWaalsContact O-N 3.08Å; S2267-E2315 WeakPolarHBondContact CB-OE2 3.49Å; S2267-E2315 PolarHBondContact OG-OE2 3.37Å | ||
| 2268 | A | 74 | Confident | 59.2 | Low | 5 Ų | 5 | 91.1 Ų | 91.1 | 4% | 0.041 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -55.9 | -32.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | S2270 R2271 V2272 L2311 A2312 E2315 | A2268-S2270 PolarHBondContact O-N 3.09Å; A2268-R2271 CarbonylContact O-C 3.57Å; A2268-R2271 PolarHBondContact O-N 3.21Å; A2268-R2271 VanDerWaalsContact O-N 3.14Å; A2268-V2272 WeakPolarHBondContact O-CG2 3.44Å; A2268-V2272 PolarHBondContact O-N 3.48Å; A2268-L2311 HydrophobicContact CB-CB 3.5Å; A2268-L2311 VanDerWaalsContact CB-CB 3.5Å; A2268-A2312 HydrophobicContact CB-CB 4.14Å; A2268-E2315 VanDerWaalsContact CB-OE1 3.24Å; A2268-E2315 WeakPolarHBondContact CB-OE1 3.17Å; A2268-E2315 PolarHBondContact N-OE1 3.48Å; A2268-E2315 PolarHBondContact N-OE2 3.48Å |
| 2269 | A | 76.8 | Confident | 62.5 | Low | 45 Ų | 45 | 86.1 Ų | 86.1 | 37% | 0.372 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2267 R2271 V2272 I2273 A2312 | S2267-A2269 PolarHBondContact O-N 3.27Å; S2267-A2269 WeakPolarHBondContact OG-CB 3.36Å; S2267-A2269 PolarHBondContact OG-N 2.78Å; S2267-A2269 VanDerWaalsContact OG-N 3.11Å; A2269-R2271 VanDerWaalsContact C-N 3.35Å; A2269-V2272 PolarHBondContact O-N 2.72Å; A2269-I2273 PolarHBondContact O-N 3.26Å; A2269-A2312 HydrophobicContact CB-CB 4.09Å |
| 2270 | S | 79.4 | Confident | 65.5 | Low | 37 Ų | 37 | 78.7 Ų | 78.7 | 26% | 0.259 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69 | -34.4 | 172.5 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | S2267 A2268 I2273 A2274 | S2267-S2270 WeakPolarHBondContact O-CB 3.4Å; S2267-S2270 PolarHBondContact O-N 3.02Å; A2268-S2270 PolarHBondContact O-N 3.09Å; S2270-I2273 PolarHBondContact O-N 2.97Å; S2270-A2274 PolarHBondContact O-N 2.75Å |
| 2271 | R | 83.9 | Confident | 68.3 | Low | 131 Ų | 131 | 73.1 Ų | 73.1 | 49% | 0.494 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 174.8 | -163.9 | 71 | -162 | -135 | 8.6 | 112.5 | S2267 A2268 A2269 I2273 A2274 I2275 Q2308 | S2267-R2271 PolarHBondContact O-N 3.49Å; S2267-R2271 VanDerWaalsContact O-N 3.08Å; A2268-R2271 CarbonylContact O-C 3.57Å; A2268-R2271 PolarHBondContact O-N 3.21Å; A2268-R2271 VanDerWaalsContact O-N 3.14Å; A2269-R2271 VanDerWaalsContact C-N 3.35Å; R2271-I2273 PolarHBondContact O-N 2.83Å; R2271-A2274 PolarHBondContact O-N 3.25Å; R2271-I2275 HydrophobicContact CG-CD1 3.77Å; R2271-I2275 HydrophobicContact CG-CG1 4.34Å; R2271-I2275 WeakPolarHBondContact O-CB 3.3Å; R2271-I2275 WeakPolarHBondContact O-CD1 3.26Å; R2271-I2275 VanDerWaalsContact O-CG1 3.27Å; R2271-I2275 WeakPolarHBondContact O-CG1 3.48Å; R2271-I2275 PolarHBondContact O-N 3.32Å; R2271-Q2308 HydrophobicContact CB-CG 4.35Å; R2271-Q2308 HydrophobicContact CG-CG 3.96Å |
| 2272 | V | 89 | Confident | 71.2 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 171.4 | 163.2 | 0 | 0 | 0 | 0 | 111 | A2268 A2269 Q2276 L2305 Q2308 K2309 A2312 | A2268-V2272 WeakPolarHBondContact O-CG2 3.44Å; A2268-V2272 PolarHBondContact O-N 3.48Å; A2269-V2272 PolarHBondContact O-N 2.72Å; V2272-Q2276 WeakPolarHBondContact O-CB 3.39Å; V2272-Q2276 WeakPolarHBondContact O-CG 3.37Å; V2272-Q2276 PolarHBondContact O-N 3.24Å; V2272-L2305 HydrophobicContact CB-CD1 4.26Å; V2272-L2305 HydrophobicContact CG1-CD1 3.94Å; V2272-L2305 HydrophobicContact CG2-CD1 4.31Å; V2272-Q2308 HydrophobicContact CG2-CB 3.75Å; V2272-Q2308 WeakPolarHBondContact CG2-O 3.26Å; V2272-K2309 HydrophobicContact CG1-CG 3.9Å; V2272-K2309 HydrophobicContact CG2-CB 4.35Å; V2272-K2309 HydrophobicContact CG2-CG 3.7Å; V2272-A2312 HydrophobicContact CG2-CB 4.13Å |
| 2273 | I | 84.4 | Confident | 74.1 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 61% | 0.605 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.6 | -48.6 | 176.9 | -64.3 | 167 | 0 | 0 | 0 | 110.5 | A2269 S2270 R2271 I2275 Q2276 S2277 | A2269-I2273 PolarHBondContact O-N 3.26Å; S2270-I2273 PolarHBondContact O-N 2.97Å; R2271-I2273 PolarHBondContact O-N 2.83Å; I2273-I2275 PolarHBondContact O-N 3.42Å; I2273-Q2276 PolarHBondContact O-N 2.62Å; I2273-Q2276 VanDerWaalsContact O-N 3.11Å; I2273-S2277 PolarHBondContact O-N 3.34Å; I2273-S2277 PolarHBondContact O-OG 3.4Å |
| 2274 | A | 87.2 | Confident | 76.5 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2270 R2271 S2277 E2278 | S2270-A2274 PolarHBondContact O-N 2.75Å; R2271-A2274 PolarHBondContact O-N 3.25Å; A2274-S2277 WeakPolarHBondContact CA-OG 3.17Å; A2274-S2277 PolarHBondContact O-N 3.19Å; A2274-S2277 PolarHBondContact O-OG 3.5Å; A2274-E2278 WeakPolarHBondContact O-CB 3.38Å; A2274-E2278 PolarHBondContact O-N 3.13Å |
| 2275 | I | 86.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.5 | -32.9 | 176.9 | -63.9 | 160.4 | 0 | 0 | 0 | 111.2 | R2271 I2273 E2278 I2279 L2301 E2304 L2305 Q2308 | R2271-I2275 HydrophobicContact CG-CD1 3.77Å; R2271-I2275 HydrophobicContact CG-CG1 4.34Å; R2271-I2275 WeakPolarHBondContact O-CB 3.3Å; R2271-I2275 WeakPolarHBondContact O-CD1 3.26Å; R2271-I2275 VanDerWaalsContact O-CG1 3.27Å; R2271-I2275 WeakPolarHBondContact O-CG1 3.48Å; R2271-I2275 PolarHBondContact O-N 3.32Å; I2273-I2275 PolarHBondContact O-N 3.42Å; I2275-E2278 PolarHBondContact O-N 2.66Å; I2275-I2279 HydrophobicContact CG2-CD1 3.72Å; I2275-I2279 HydrophobicContact CG2-CG1 4.18Å; I2275-I2279 WeakPolarHBondContact O-CB 3.49Å; I2275-I2279 VanDerWaalsContact O-CG1 3.28Å; I2275-I2279 WeakPolarHBondContact O-CG1 3.24Å; I2275-I2279 PolarHBondContact O-N 3.07Å; I2275-L2301 HydrophobicContact CG2-CB 4.17Å; I2275-L2301 HydrophobicContact CG2-CD2 4.19Å; I2275-L2301 WeakPolarHBondContact CG2-O 3.34Å; I2275-E2304 HydrophobicContact CD1-CB 4.38Å; I2275-E2304 HydrophobicContact CD1-CG 3.65Å; I2275-L2305 HydrophobicContact CB-CD1 4.25Å; I2275-L2305 HydrophobicContact CG2-CB 3.8Å; I2275-L2305 HydrophobicContact CG2-CD1 4.22Å; I2275-L2305 HydrophobicContact CG2-CG 4.48Å; I2275-Q2308 HydrophobicContact CD1-CB 4.26Å; I2275-Q2308 HydrophobicContact CD1-CG 3.79Å |
| 2276 | Q | 85.2 | Confident | 80.6 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 173.5 | -76.1 | -178 | -105.3 | 0 | 0 | 112.4 | V2272 I2273 A2280 L2305 | V2272-Q2276 WeakPolarHBondContact O-CB 3.39Å; V2272-Q2276 WeakPolarHBondContact O-CG 3.37Å; V2272-Q2276 PolarHBondContact O-N 3.24Å; I2273-Q2276 PolarHBondContact O-N 2.62Å; I2273-Q2276 VanDerWaalsContact O-N 3.11Å; Q2276-A2280 VanDerWaalsContact O-CB 3.26Å; Q2276-A2280 WeakPolarHBondContact O-CB 3.24Å; Q2276-A2280 PolarHBondContact O-N 3.2Å; Q2276-L2305 HydrophobicContact CG-CD1 3.72Å; Q2276-L2305 HydrophobicContact CG-CD2 3.68Å; Q2276-L2305 HydrophobicContact CG-CG 4.38Å |
| 2277 | S | 84.3 | Confident | 81.6 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 168.9 | 40 | 0 | 0 | 0 | 0 | 112.5 | I2273 A2274 A2280 E2281 | I2273-S2277 PolarHBondContact O-N 3.34Å; I2273-S2277 PolarHBondContact O-OG 3.4Å; A2274-S2277 WeakPolarHBondContact CA-OG 3.17Å; A2274-S2277 PolarHBondContact O-N 3.19Å; A2274-S2277 PolarHBondContact O-OG 3.5Å; S2277-A2280 PolarHBondContact O-N 2.74Å; S2277-E2281 VanDerWaalsContact O-CB 3.31Å; S2277-E2281 WeakPolarHBondContact O-CB 3.16Å; S2277-E2281 PolarHBondContact O-N 3.19Å |
| 2278 | E | 89 | Confident | 81.5 | Confident | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 178.6 | -165.9 | 177.7 | 178.4 | 0 | 0 | 111.5 | A2274 I2275 E2281 L2282 L2301 | A2274-E2278 WeakPolarHBondContact O-CB 3.38Å; A2274-E2278 PolarHBondContact O-N 3.13Å; I2275-E2278 PolarHBondContact O-N 2.66Å; E2278-E2281 PolarHBondContact O-N 3.13Å; E2278-L2282 HydrophobicContact CG-CD1 4.37Å; E2278-L2282 WeakPolarHBondContact O-CB 3.2Å; E2278-L2282 VanDerWaalsContact O-CG 3.26Å; E2278-L2282 WeakPolarHBondContact O-CG 3.41Å; E2278-L2282 PolarHBondContact O-N 2.82Å; E2278-L2301 HydrophobicContact CB-CD1 4.5Å; E2278-L2301 HydrophobicContact CG-CD1 3.82Å; E2278-L2301 HydrophobicContact CG-CD2 4.41Å |
| 2279 | I | 90.8 | Very high | 81.2 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 171.2 | -72.1 | 167.2 | 0 | 0 | 0 | 110.9 | I2275 E2281 L2282 E2283 L2298 L2301 R2302 L2305 | I2275-I2279 HydrophobicContact CG2-CD1 3.72Å; I2275-I2279 HydrophobicContact CG2-CG1 4.18Å; I2275-I2279 WeakPolarHBondContact O-CB 3.49Å; I2275-I2279 VanDerWaalsContact O-CG1 3.28Å; I2275-I2279 WeakPolarHBondContact O-CG1 3.24Å; I2275-I2279 PolarHBondContact O-N 3.07Å; I2279-E2281 VanDerWaalsContact C-N 3.3Å; I2279-E2281 PolarHBondContact O-N 2.81Å; I2279-L2282 PolarHBondContact O-N 2.84Å; I2279-E2283 HydrophobicContact CG2-CG 4.27Å; I2279-E2283 VanDerWaalsContact O-CB 3.29Å; I2279-E2283 WeakPolarHBondContact O-CB 3.4Å; I2279-E2283 VanDerWaalsContact O-CG 3.28Å; I2279-E2283 WeakPolarHBondContact O-CG 3.38Å; I2279-E2283 PolarHBondContact O-N 3.18Å; I2279-L2298 HydrophobicContact CB-CD2 4.26Å; I2279-L2298 HydrophobicContact CG1-CD2 4.31Å; I2279-L2298 HydrophobicContact CG2-CD2 3.98Å; I2279-L2301 HydrophobicContact CD1-CB 4.04Å; I2279-L2301 HydrophobicContact CG1-CB 3.71Å; I2279-L2301 HydrophobicContact CG1-CD1 4.44Å; I2279-R2302 HydrophobicContact CD1-CG 3.97Å; I2279-L2305 HydrophobicContact CD1-CB 4.25Å; I2279-L2305 HydrophobicContact CD1-CD2 3.87Å |
| 2280 | A | 86 | Confident | 80.3 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2276 S2277 A2284 | Q2276-A2280 VanDerWaalsContact O-CB 3.26Å; Q2276-A2280 WeakPolarHBondContact O-CB 3.24Å; Q2276-A2280 PolarHBondContact O-N 3.2Å; S2277-A2280 PolarHBondContact O-N 2.74Å; A2280-A2284 VanDerWaalsContact O-CB 3.3Å; A2280-A2284 WeakPolarHBondContact O-CB 3.33Å; A2280-A2284 PolarHBondContact O-N 2.88Å |
| 2281 | E | 82.2 | Confident | 79.4 | Confident | 125 Ų | 125 | 79 Ų | 79 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -74.4 | -41.7 | 177.4 | -173.7 | 167.9 | -161.9 | 0 | 0 | 112 | S2277 E2278 I2279 A2284 Q2285 | S2277-E2281 VanDerWaalsContact O-CB 3.31Å; S2277-E2281 WeakPolarHBondContact O-CB 3.16Å; S2277-E2281 PolarHBondContact O-N 3.19Å; E2278-E2281 PolarHBondContact O-N 3.13Å; I2279-E2281 VanDerWaalsContact C-N 3.3Å; I2279-E2281 PolarHBondContact O-N 2.81Å; E2281-A2284 CarbonylContact O-C 3.59Å; E2281-A2284 WeakPolarHBondContact O-CB 3.1Å; E2281-A2284 PolarHBondContact O-N 2.95Å; E2281-A2284 VanDerWaalsContact O-N 3.16Å; E2281-Q2285 WeakPolarHBondContact O-CG 3.07Å; E2281-Q2285 PolarHBondContact O-N 2.99Å |
| 2282 | L | 83.3 | Confident | 78.7 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.4 | -34.3 | 173.9 | -68.9 | 176.6 | 0 | 0 | 0 | 112.6 | E2278 I2279 A2284 Q2285 Q2286 L2294 T2297 L2298 L2301 | E2278-L2282 HydrophobicContact CG-CD1 4.37Å; E2278-L2282 WeakPolarHBondContact O-CB 3.2Å; E2278-L2282 VanDerWaalsContact O-CG 3.26Å; E2278-L2282 WeakPolarHBondContact O-CG 3.41Å; E2278-L2282 PolarHBondContact O-N 2.82Å; I2279-L2282 PolarHBondContact O-N 2.84Å; L2282-A2284 VanDerWaalsContact C-N 3.32Å; L2282-Q2285 PolarHBondContact O-N 2.81Å; L2282-Q2286 WeakPolarHBondContact O-CB 3.28Å; L2282-Q2286 PolarHBondContact O-N 2.94Å; L2282-L2294 HydrophobicContact CB-CD1 4.32Å; L2282-L2294 HydrophobicContact CD2-CD1 4.09Å; L2282-L2294 HydrophobicContact CD2-CD2 4.11Å; L2282-L2294 WeakPolarHBondContact O-CD1 3.35Å; L2282-T2297 HydrophobicContact CD1-CG2 3.77Å; L2282-L2298 HydrophobicContact CB-CD2 3.79Å; L2282-L2298 HydrophobicContact CB-CG 4.18Å; L2282-L2301 HydrophobicContact CD1-CD1 3.45Å; L2282-L2301 VanDerWaalsContact CD1-CD1 3.45Å |
| 2283 | E | 83.2 | Confident | 78 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -69.7 | -28.9 | 168.3 | -71.9 | -175.4 | -175.2 | 0 | 0 | 111.9 | I2279 R2287 L2298 R2302 | I2279-E2283 HydrophobicContact CG2-CG 4.27Å; I2279-E2283 VanDerWaalsContact O-CB 3.29Å; I2279-E2283 WeakPolarHBondContact O-CB 3.4Å; I2279-E2283 VanDerWaalsContact O-CG 3.28Å; I2279-E2283 WeakPolarHBondContact O-CG 3.38Å; I2279-E2283 PolarHBondContact O-N 3.18Å; E2283-R2287 VanDerWaalsContact C-NH1 3.34Å; E2283-R2287 VanDerWaalsContact CB-NH1 3.3Å; E2283-R2287 WeakPolarHBondContact O-CB 3.34Å; E2283-R2287 WeakPolarHBondContact O-CG 3.18Å; E2283-R2287 PolarHBondContact O-N 3.42Å; E2283-R2287 PolarHBondContact O-NH1 3.24Å; E2283-R2287 IonicContact OE2-CZ 3.7Å; E2283-R2287 IonicContact OE2-NH1 3.34Å; E2283-R2287 IonicContact OE2-NH2 3.87Å; E2283-R2287 PolarHBondContact OE2-NH2 3.08Å; E2283-L2298 HydrophobicContact CG-CD1 3.95Å; E2283-L2298 HydrophobicContact CG-CD2 3.74Å; E2283-R2302 IonicContact OE1-CZ 2.72Å; E2283-R2302 IonicContact OE1-NE 2.75Å; E2283-R2302 IonicContact OE1-NH2 2.71Å; E2283-R2302 PolarHBondContact OE1-NH2 2.9Å |
| 2284 | A | 76.6 | Confident | 78.1 | Confident | 43 Ų | 43 | 76.3 Ų | 76.3 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A2280 E2281 L2282 Q2286 R2287 V2288 | A2280-A2284 VanDerWaalsContact O-CB 3.3Å; A2280-A2284 WeakPolarHBondContact O-CB 3.33Å; A2280-A2284 PolarHBondContact O-N 2.88Å; E2281-A2284 CarbonylContact O-C 3.59Å; E2281-A2284 WeakPolarHBondContact O-CB 3.1Å; E2281-A2284 PolarHBondContact O-N 2.95Å; E2281-A2284 VanDerWaalsContact O-N 3.16Å; L2282-A2284 VanDerWaalsContact C-N 3.32Å; A2284-Q2286 PolarHBondContact O-N 3.43Å; A2284-R2287 PolarHBondContact O-N 2.93Å; A2284-R2287 VanDerWaalsContact O-N 3.15Å; A2284-V2288 WeakPolarHBondContact O-CB 3.35Å; A2284-V2288 VanDerWaalsContact O-CG2 3.3Å; A2284-V2288 WeakPolarHBondContact O-CG2 3.19Å; A2284-V2288 PolarHBondContact O-N 3.05Å |
| 2285 | Q | 73.7 | Confident | 77.7 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 173.7 | -70.5 | 173.8 | 20.1 | 0 | 0 | 111.5 | E2281 L2282 R2287 V2288 D2289 L2294 | E2281-Q2285 WeakPolarHBondContact O-CG 3.07Å; E2281-Q2285 PolarHBondContact O-N 2.99Å; L2282-Q2285 PolarHBondContact O-N 2.81Å; Q2285-R2287 VanDerWaalsContact C-N 3.33Å; Q2285-R2287 PolarHBondContact O-N 3.34Å; Q2285-V2288 PolarHBondContact O-N 3.1Å; Q2285-D2289 PolarHBondContact O-N 3.19Å; Q2285-L2294 HydrophobicContact CB-CD1 4Å |
| 2286 | Q | 74.2 | Confident | 77.4 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 29% | 0.29 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.6 | -24 | 175.1 | -171.5 | 164.6 | 62.3 | 0 | 0 | 113.8 | L2282 A2284 L2292 L2294 | L2282-Q2286 WeakPolarHBondContact O-CB 3.28Å; L2282-Q2286 PolarHBondContact O-N 2.94Å; A2284-Q2286 PolarHBondContact O-N 3.43Å; Q2286-L2292 PolarHBondContact NE2-O 3.37Å; Q2286-L2292 VanDerWaalsContact NE2-O 3.12Å; Q2286-L2294 HydrophobicContact CB-CD1 4.26Å |
| 2287 | R | 67.5 | Low | 77.4 | Confident | 174 Ų | 174 | 79 Ų | 79 | 66% | 0.657 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -78.1 | -28.8 | 169.5 | -75.5 | 172.7 | -162.1 | 106.9 | 7.1 | 112.8 | E2283 A2284 Q2285 | E2283-R2287 VanDerWaalsContact C-NH1 3.34Å; E2283-R2287 VanDerWaalsContact CB-NH1 3.3Å; E2283-R2287 WeakPolarHBondContact O-CB 3.34Å; E2283-R2287 WeakPolarHBondContact O-CG 3.18Å; E2283-R2287 PolarHBondContact O-N 3.42Å; E2283-R2287 PolarHBondContact O-NH1 3.24Å; E2283-R2287 IonicContact OE2-CZ 3.7Å; E2283-R2287 IonicContact OE2-NH1 3.34Å; E2283-R2287 IonicContact OE2-NH2 3.87Å; E2283-R2287 PolarHBondContact OE2-NH2 3.08Å; A2284-R2287 PolarHBondContact O-N 2.93Å; A2284-R2287 VanDerWaalsContact O-N 3.15Å; Q2285-R2287 VanDerWaalsContact C-N 3.33Å; Q2285-R2287 PolarHBondContact O-N 3.34Å |
| 2288 | V | 75.2 | Confident | 77.7 | Confident | 132 Ų | 132 | 75.9 Ų | 75.9 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -84.3 | -42 | 179.5 | 169 | 0 | 0 | 0 | 0 | 111.5 | A2284 Q2285 | A2284-V2288 WeakPolarHBondContact O-CB 3.35Å; A2284-V2288 VanDerWaalsContact O-CG2 3.3Å; A2284-V2288 WeakPolarHBondContact O-CG2 3.19Å; A2284-V2288 PolarHBondContact O-N 3.05Å; Q2285-V2288 PolarHBondContact O-N 3.1Å |
| 2289 | D | 66.7 | Low | 77.4 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | trans | -124.3 | 99.1 | 175 | -174.5 | -4 | 0 | 0 | 0 | 110.3 | Q2285 R2291 L2292 | Q2285-D2289 PolarHBondContact O-N 3.19Å; D2289-R2291 PolarHBondContact O-N 2.92Å; D2289-R2291 VanDerWaalsContact OD1-CB 3.29Å; D2289-R2291 WeakPolarHBondContact OD1-CB 3.31Å; D2289-R2291 PolarHBondContact OD1-N 3.28Å; D2289-L2292 HydrophobicContact CB-CD1 4.2Å; D2289-L2292 PolarHBondContact O-N 3.45Å | ||
| 2290 | S | 57.9 | Low | 77.2 | Confident | 114 Ų | 114 | 84.6 Ų | 84.6 | 80% | 0.797 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -2.3 | 179.1 | 57 | 0 | 0 | 0 | 0 | 114.2 | ||
| 2291 | R | 60.6 | Low | 77.4 | Confident | 178 Ų | 178 | 83 Ų | 83 | 67% | 0.672 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -16.4 | 171 | -60.1 | 178 | 171.2 | 178.5 | -3.1 | 112.5 | D2289 D2293 | D2289-R2291 PolarHBondContact O-N 2.92Å; D2289-R2291 VanDerWaalsContact OD1-CB 3.29Å; D2289-R2291 WeakPolarHBondContact OD1-CB 3.31Å; D2289-R2291 PolarHBondContact OD1-N 3.28Å; R2291-D2293 PolarHBondContact O-N 2.88Å |
| 2292 | L | 68.4 | Low | 77.9 | Confident | 71 Ų | 71 | 81.2 Ų | 81.2 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | trans | -78.7 | 96 | 174.8 | -95.4 | 162.8 | 0 | 0 | 0 | 110.4 | Q2286 D2289 L2294 | Q2286-L2292 PolarHBondContact NE2-O 3.37Å; Q2286-L2292 VanDerWaalsContact NE2-O 3.12Å; D2289-L2292 HydrophobicContact CB-CD1 4.2Å; D2289-L2292 PolarHBondContact O-N 3.45Å; L2292-L2294 HydrophobicContact CB-CD1 4.29Å; L2292-L2294 HydrophobicContact CB-CG 4.28Å; L2292-L2294 PolarHBondContact O-N 2.83Å | ||
| 2293 | D | 76 | Confident | 78 | Confident | 116 Ų | 116 | 85 Ų | 85 | 62% | 0.62 | 44% | 0.435 | S | S | * | . | trans | -73.8 | 76.1 | 171.3 | -170.8 | 8.8 | 0 | 0 | 0 | 111.6 | R2291 S2295 | R2291-D2293 PolarHBondContact O-N 2.88Å; D2293-S2295 PolarHBondContact O-N 3.04Å; D2293-S2295 WeakPolarHBondContact OD1-CB 3.08Å; D2293-S2295 PolarHBondContact OD1-N 3.42Å; D2293-S2295 VanDerWaalsContact OD1-N 3.11Å; D2293-S2295 PolarHBondContact OD1-OG 2.77Å | ||
| 2294 | L | 86.1 | Confident | 78.3 | Confident | 21 Ų | 21 | 86 Ų | 86 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | trans | -78.2 | 4.7 | 173.8 | -72.1 | 166.5 | 0 | 0 | 0 | 112.8 | L2282 Q2285 Q2286 L2292 S2296 T2297 L2298 | L2282-L2294 HydrophobicContact CB-CD1 4.32Å; L2282-L2294 HydrophobicContact CD2-CD1 4.09Å; L2282-L2294 HydrophobicContact CD2-CD2 4.11Å; L2282-L2294 WeakPolarHBondContact O-CD1 3.35Å; Q2285-L2294 HydrophobicContact CB-CD1 4Å; Q2286-L2294 HydrophobicContact CB-CD1 4.26Å; L2292-L2294 HydrophobicContact CB-CD1 4.29Å; L2292-L2294 HydrophobicContact CB-CG 4.28Å; L2292-L2294 PolarHBondContact O-N 2.83Å; L2294-S2296 PolarHBondContact O-N 2.81Å; L2294-T2297 PolarHBondContact O-N 3.21Å; L2294-L2298 HydrophobicContact CB-CD1 4.04Å; L2294-L2298 HydrophobicContact CB-CG 4.39Å; L2294-L2298 WeakPolarHBondContact O-CB 2.91Å; L2294-L2298 PolarHBondContact O-N 3.34Å | ||
| 2295 | S | 79.1 | Confident | 79 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -54.5 | -50.5 | -174 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | D2293 T2297 L2298 D2299 | D2293-S2295 PolarHBondContact O-N 3.04Å; D2293-S2295 WeakPolarHBondContact OD1-CB 3.08Å; D2293-S2295 PolarHBondContact OD1-N 3.42Å; D2293-S2295 VanDerWaalsContact OD1-N 3.11Å; D2293-S2295 PolarHBondContact OD1-OG 2.77Å; S2295-T2297 VanDerWaalsContact C-N 3.28Å; S2295-T2297 PolarHBondContact O-N 3.46Å; S2295-L2298 PolarHBondContact O-N 3.37Å; S2295-D2299 WeakPolarHBondContact O-CB 3.44Å; S2295-D2299 PolarHBondContact O-N 3.11Å |
| 2296 | S | 79.1 | Confident | 79.4 | Confident | 84 Ų | 84 | 85.8 Ų | 85.8 | 59% | 0.587 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.5 | -33.4 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | L2294 R2300 | L2294-S2296 PolarHBondContact O-N 2.81Å; S2296-R2300 VanDerWaalsContact O-CB 3.26Å; S2296-R2300 WeakPolarHBondContact O-CB 3.34Å; S2296-R2300 PolarHBondContact O-N 2.84Å; S2296-R2300 VanDerWaalsContact O-N 3.11Å |
| 2297 | T | 86 | Confident | 80 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 37% | 0.368 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -75.3 | -44.8 | 176.8 | -57 | 0 | 0 | 0 | 0 | 110.5 | L2282 L2294 S2295 R2300 L2301 | L2282-T2297 HydrophobicContact CD1-CG2 3.77Å; L2294-T2297 PolarHBondContact O-N 3.21Å; S2295-T2297 VanDerWaalsContact C-N 3.28Å; S2295-T2297 PolarHBondContact O-N 3.46Å; T2297-R2300 PolarHBondContact O-N 3.12Å; T2297-L2301 HydrophobicContact CG2-CD1 4.17Å; T2297-L2301 WeakPolarHBondContact O-CB 3.49Å; T2297-L2301 WeakPolarHBondContact O-CG 3.24Å; T2297-L2301 PolarHBondContact O-N 2.9Å |
| 2298 | L | 90.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.5 | -80.2 | 166.4 | 0 | 0 | 0 | 112 | I2279 L2282 E2283 L2294 S2295 L2301 R2302 | I2279-L2298 HydrophobicContact CB-CD2 4.26Å; I2279-L2298 HydrophobicContact CG1-CD2 4.31Å; I2279-L2298 HydrophobicContact CG2-CD2 3.98Å; L2282-L2298 HydrophobicContact CB-CD2 3.79Å; L2282-L2298 HydrophobicContact CB-CG 4.18Å; E2283-L2298 HydrophobicContact CG-CD1 3.95Å; E2283-L2298 HydrophobicContact CG-CD2 3.74Å; L2294-L2298 HydrophobicContact CB-CD1 4.04Å; L2294-L2298 HydrophobicContact CB-CG 4.39Å; L2294-L2298 WeakPolarHBondContact O-CB 2.91Å; L2294-L2298 PolarHBondContact O-N 3.34Å; S2295-L2298 PolarHBondContact O-N 3.37Å; L2298-L2301 CarbonylContact O-C 2.76Å; L2298-L2301 PolarHBondContact O-N 3.15Å; L2298-R2302 WeakPolarHBondContact O-CB 3.23Å; L2298-R2302 WeakPolarHBondContact O-CD 3.41Å; L2298-R2302 WeakPolarHBondContact O-CG 3.31Å; L2298-R2302 PolarHBondContact O-N 3.26Å |
| 2299 | D | 82.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 77.8 Ų | 77.8 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -71.8 | -37.2 | 178.1 | -71.3 | -20.6 | 0 | 0 | 0 | 111.9 | S2295 L2301 R2302 V2303 | S2295-D2299 WeakPolarHBondContact O-CB 3.44Å; S2295-D2299 PolarHBondContact O-N 3.11Å; D2299-L2301 VanDerWaalsContact C-N 3.32Å; D2299-L2301 PolarHBondContact O-N 2.92Å; D2299-R2302 PolarHBondContact O-N 2.87Å; D2299-R2302 WeakPolarHBondContact OD1-CD 3.3Å; D2299-R2302 IonicContact OD1-CZ 3.55Å; D2299-R2302 IonicContact OD1-NE 3.58Å; D2299-R2302 IonicContact OD1-NH1 3.66Å; D2299-R2302 PolarHBondContact OD1-NH1 3.14Å; D2299-V2303 WeakPolarHBondContact O-CG2 3.18Å; D2299-V2303 PolarHBondContact O-N 3.39Å |
| 2300 | R | 86.5 | Confident | 82 | Confident | 202 Ų | 202 | 82 Ų | 82 | 76% | 0.762 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.2 | -43.2 | 168.6 | -178 | 176.4 | 178.4 | 170.3 | -0.4 | 111.6 | S2296 T2297 V2303 E2304 | S2296-R2300 VanDerWaalsContact O-CB 3.26Å; S2296-R2300 WeakPolarHBondContact O-CB 3.34Å; S2296-R2300 PolarHBondContact O-N 2.84Å; S2296-R2300 VanDerWaalsContact O-N 3.11Å; T2297-R2300 PolarHBondContact O-N 3.12Å; R2300-V2303 PolarHBondContact O-N 3.47Å; R2300-E2304 WeakPolarHBondContact O-CB 3.31Å; R2300-E2304 PolarHBondContact O-N 3.23Å |
| 2301 | L | 90.7 | Very high | 82.9 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.3 | -33 | 175.9 | -73.1 | 168.4 | 0 | 0 | 0 | 112.6 | I2275 E2278 I2279 L2282 T2297 L2298 D2299 E2304 L2305 | I2275-L2301 HydrophobicContact CG2-CB 4.17Å; I2275-L2301 HydrophobicContact CG2-CD2 4.19Å; I2275-L2301 WeakPolarHBondContact CG2-O 3.34Å; E2278-L2301 HydrophobicContact CB-CD1 4.5Å; E2278-L2301 HydrophobicContact CG-CD1 3.82Å; E2278-L2301 HydrophobicContact CG-CD2 4.41Å; I2279-L2301 HydrophobicContact CD1-CB 4.04Å; I2279-L2301 HydrophobicContact CG1-CB 3.71Å; I2279-L2301 HydrophobicContact CG1-CD1 4.44Å; L2282-L2301 HydrophobicContact CD1-CD1 3.45Å; L2282-L2301 VanDerWaalsContact CD1-CD1 3.45Å; T2297-L2301 HydrophobicContact CG2-CD1 4.17Å; T2297-L2301 WeakPolarHBondContact O-CB 3.49Å; T2297-L2301 WeakPolarHBondContact O-CG 3.24Å; T2297-L2301 PolarHBondContact O-N 2.9Å; L2298-L2301 CarbonylContact O-C 2.76Å; L2298-L2301 PolarHBondContact O-N 3.15Å; D2299-L2301 VanDerWaalsContact C-N 3.32Å; D2299-L2301 PolarHBondContact O-N 2.92Å; L2301-E2304 PolarHBondContact O-N 3.41Å; L2301-L2305 WeakPolarHBondContact O-CB 3.22Å; L2301-L2305 PolarHBondContact O-N 3.47Å |
| 2302 | R | 91.9 | Very high | 83.8 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 173.7 | -72.3 | 158.8 | -176.6 | 155.1 | 0.9 | 111.5 | I2279 E2283 L2298 D2299 L2305 Q2306 | I2279-R2302 HydrophobicContact CD1-CG 3.97Å; E2283-R2302 IonicContact OE1-CZ 2.72Å; E2283-R2302 IonicContact OE1-NE 2.75Å; E2283-R2302 IonicContact OE1-NH2 2.71Å; E2283-R2302 PolarHBondContact OE1-NH2 2.9Å; L2298-R2302 WeakPolarHBondContact O-CB 3.23Å; L2298-R2302 WeakPolarHBondContact O-CD 3.41Å; L2298-R2302 WeakPolarHBondContact O-CG 3.31Å; L2298-R2302 PolarHBondContact O-N 3.26Å; D2299-R2302 PolarHBondContact O-N 2.87Å; D2299-R2302 WeakPolarHBondContact OD1-CD 3.3Å; D2299-R2302 IonicContact OD1-CZ 3.55Å; D2299-R2302 IonicContact OD1-NE 3.58Å; D2299-R2302 IonicContact OD1-NH1 3.66Å; D2299-R2302 PolarHBondContact OD1-NH1 3.14Å; R2302-L2305 PolarHBondContact O-N 2.92Å; R2302-Q2306 WeakPolarHBondContact O-CG 3.46Å; R2302-Q2306 PolarHBondContact O-N 2.99Å |
| 2303 | V | 85.9 | Confident | 83.6 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 63% | 0.63 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67.2 | -46.3 | 171.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | D2299 R2300 L2305 Q2306 F2307 | D2299-V2303 WeakPolarHBondContact O-CG2 3.18Å; D2299-V2303 PolarHBondContact O-N 3.39Å; R2300-V2303 PolarHBondContact O-N 3.47Å; V2303-L2305 VanDerWaalsContact C-N 3.31Å; V2303-L2305 PolarHBondContact O-N 3.26Å; V2303-Q2306 WeakPolarHBondContact O-CB 3.36Å; V2303-Q2306 PolarHBondContact O-N 3.27Å; V2303-F2307 PolarHBondContact O-N 2.59Å |
| 2304 | E | 89.3 | Confident | 82.8 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 31% | 0.308 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 174.1 | -175.7 | 61.1 | -160.1 | 0 | 0 | 111.2 | I2275 R2300 L2301 Q2306 F2307 Q2308 | I2275-E2304 HydrophobicContact CD1-CB 4.38Å; I2275-E2304 HydrophobicContact CD1-CG 3.65Å; R2300-E2304 WeakPolarHBondContact O-CB 3.31Å; R2300-E2304 PolarHBondContact O-N 3.23Å; L2301-E2304 PolarHBondContact O-N 3.41Å; E2304-Q2306 VanDerWaalsContact C-N 3.35Å; E2304-Q2306 PolarHBondContact O-N 2.57Å; E2304-F2307 PolarHBondContact O-N 3.11Å; E2304-Q2308 HydrophobicContact CG-CG 4.16Å; E2304-Q2308 WeakPolarHBondContact O-CB 3.42Å; E2304-Q2308 VanDerWaalsContact O-CG 3.25Å; E2304-Q2308 WeakPolarHBondContact O-CG 3.42Å; E2304-Q2308 PolarHBondContact O-N 2.66Å; E2304-Q2308 VanDerWaalsContact OE1-CG 3.32Å; E2304-Q2308 WeakPolarHBondContact OE1-CG 3.18Å; E2304-Q2308 PolarHBondContact OE1-NE2 3.46Å |
| 2305 | L | 90.4 | Very high | 81.8 | Confident | 19 Ų | 19 | 77.4 Ų | 77.4 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 174 | -177.7 | 61.1 | 0 | 0 | 0 | 111.8 | V2272 I2275 Q2276 I2279 L2301 R2302 V2303 K2309 | V2272-L2305 HydrophobicContact CB-CD1 4.26Å; V2272-L2305 HydrophobicContact CG1-CD1 3.94Å; V2272-L2305 HydrophobicContact CG2-CD1 4.31Å; I2275-L2305 HydrophobicContact CB-CD1 4.25Å; I2275-L2305 HydrophobicContact CG2-CB 3.8Å; I2275-L2305 HydrophobicContact CG2-CD1 4.22Å; I2275-L2305 HydrophobicContact CG2-CG 4.48Å; Q2276-L2305 HydrophobicContact CG-CD1 3.72Å; Q2276-L2305 HydrophobicContact CG-CD2 3.68Å; Q2276-L2305 HydrophobicContact CG-CG 4.38Å; I2279-L2305 HydrophobicContact CD1-CB 4.25Å; I2279-L2305 HydrophobicContact CD1-CD2 3.87Å; L2301-L2305 WeakPolarHBondContact O-CB 3.22Å; L2301-L2305 PolarHBondContact O-N 3.47Å; R2302-L2305 PolarHBondContact O-N 2.92Å; V2303-L2305 VanDerWaalsContact C-N 3.31Å; V2303-L2305 PolarHBondContact O-N 3.26Å; L2305-K2309 HydrophobicContact CD1-CD 4.33Å; L2305-K2309 HydrophobicContact CD1-CG 4.24Å; L2305-K2309 HydrophobicContact CG-CD 4.18Å; L2305-K2309 HydrophobicContact CG-CG 4.46Å; L2305-K2309 VanDerWaalsContact O-CB 3.23Å; L2305-K2309 WeakPolarHBondContact O-CB 3.29Å; L2305-K2309 VanDerWaalsContact O-CG 3.24Å; L2305-K2309 WeakPolarHBondContact O-CG 3.47Å; L2305-K2309 PolarHBondContact O-N 3.29Å |
| 2306 | Q | 83.1 | Confident | 80.5 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 174 | -78 | -73.1 | -19.2 | 0 | 0 | 111.7 | R2302 V2303 E2304 R2310 | R2302-Q2306 WeakPolarHBondContact O-CG 3.46Å; R2302-Q2306 PolarHBondContact O-N 2.99Å; V2303-Q2306 WeakPolarHBondContact O-CB 3.36Å; V2303-Q2306 PolarHBondContact O-N 3.27Å; E2304-Q2306 VanDerWaalsContact C-N 3.35Å; E2304-Q2306 PolarHBondContact O-N 2.57Å; Q2306-R2310 WeakPolarHBondContact O-CG 3.48Å; Q2306-R2310 PolarHBondContact O-N 2.75Å; Q2306-R2310 VanDerWaalsContact O-N 3.1Å |
| 2307 | F | 85.7 | Confident | 78.6 | Confident | 106 Ų | 106 | 79.8 Ų | 79.8 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 174.9 | -177.6 | -113.4 | 0 | 0 | 0 | 111.7 | V2303 E2304 K2309 R2310 L2311 | V2303-F2307 PolarHBondContact O-N 2.59Å; E2304-F2307 PolarHBondContact O-N 3.11Å; F2307-K2309 PolarHBondContact O-N 2.79Å; F2307-R2310 PolarHBondContact O-N 3.24Å; F2307-L2311 HydrophobicContact CD1-CD1 3.93Å; F2307-L2311 HydrophobicContact CE1-CD1 3.49Å; F2307-L2311 VanDerWaalsContact CE1-CD1 3.49Å; F2307-L2311 HydrophobicContact CE1-CG 4.34Å; F2307-L2311 HydrophobicContact CZ-CD1 3.84Å; F2307-L2311 HydrophobicContact CZ-CG 4.34Å; F2307-L2311 PolarHBondContact O-N 2.77Å |
| 2308 | Q | 86.5 | Confident | 76.1 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.3 | -31.3 | 178.2 | -65.9 | -66.8 | -14.6 | 0 | 0 | 112.5 | R2271 V2272 I2275 E2304 L2311 A2312 | R2271-Q2308 HydrophobicContact CB-CG 4.35Å; R2271-Q2308 HydrophobicContact CG-CG 3.96Å; V2272-Q2308 HydrophobicContact CG2-CB 3.75Å; V2272-Q2308 WeakPolarHBondContact CG2-O 3.26Å; I2275-Q2308 HydrophobicContact CD1-CB 4.26Å; I2275-Q2308 HydrophobicContact CD1-CG 3.79Å; E2304-Q2308 HydrophobicContact CG-CG 4.16Å; E2304-Q2308 WeakPolarHBondContact O-CB 3.42Å; E2304-Q2308 VanDerWaalsContact O-CG 3.25Å; E2304-Q2308 WeakPolarHBondContact O-CG 3.42Å; E2304-Q2308 PolarHBondContact O-N 2.66Å; E2304-Q2308 VanDerWaalsContact OE1-CG 3.32Å; E2304-Q2308 WeakPolarHBondContact OE1-CG 3.18Å; E2304-Q2308 PolarHBondContact OE1-NE2 3.46Å; Q2308-L2311 PolarHBondContact O-N 3.18Å; Q2308-A2312 VanDerWaalsContact O-CB 3.26Å; Q2308-A2312 WeakPolarHBondContact O-CB 3.49Å; Q2308-A2312 PolarHBondContact O-N 2.89Å |
| 2309 | K | 87.4 | Confident | 73.2 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 33% | 0.326 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 170.4 | -81.3 | 179.8 | 176.9 | 180 | 0 | 111.5 | V2272 L2305 F2307 L2311 A2312 E2313 | V2272-K2309 HydrophobicContact CG1-CG 3.9Å; V2272-K2309 HydrophobicContact CG2-CB 4.35Å; V2272-K2309 HydrophobicContact CG2-CG 3.7Å; L2305-K2309 HydrophobicContact CD1-CD 4.33Å; L2305-K2309 HydrophobicContact CD1-CG 4.24Å; L2305-K2309 HydrophobicContact CG-CD 4.18Å; L2305-K2309 HydrophobicContact CG-CG 4.46Å; L2305-K2309 VanDerWaalsContact O-CB 3.23Å; L2305-K2309 WeakPolarHBondContact O-CB 3.29Å; L2305-K2309 VanDerWaalsContact O-CG 3.24Å; L2305-K2309 WeakPolarHBondContact O-CG 3.47Å; L2305-K2309 PolarHBondContact O-N 3.29Å; F2307-K2309 PolarHBondContact O-N 2.79Å; K2309-L2311 VanDerWaalsContact C-N 3.31Å; K2309-L2311 PolarHBondContact O-N 2.81Å; K2309-A2312 PolarHBondContact O-N 3.4Å; K2309-E2313 WeakPolarHBondContact O-CB 3.46Å; K2309-E2313 WeakPolarHBondContact O-CG 3.42Å; K2309-E2313 PolarHBondContact O-N 3.14Å |
| 2310 | R | 78.4 | Confident | 70.4 | Confident | 156 Ų | 156 | 92.1 Ų | 92.1 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.3 | -32.3 | 173.9 | -67.1 | 172.2 | -164.4 | 165.9 | 6.2 | 112.8 | Q2306 F2307 R2314 | Q2306-R2310 WeakPolarHBondContact O-CG 3.48Å; Q2306-R2310 PolarHBondContact O-N 2.75Å; Q2306-R2310 VanDerWaalsContact O-N 3.1Å; F2307-R2310 PolarHBondContact O-N 3.24Å; R2310-R2314 WeakPolarHBondContact O-CB 3.48Å; R2310-R2314 PolarHBondContact O-N 2.79Å |
| 2311 | L | 76.1 | Confident | 67.3 | Low | 47 Ų | 47 | 87.9 Ų | 87.9 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 171.4 | -74.3 | 177.4 | 0 | 0 | 0 | 111.8 | A2268 F2307 Q2308 K2309 E2313 R2314 E2315 | A2268-L2311 HydrophobicContact CB-CB 3.5Å; A2268-L2311 VanDerWaalsContact CB-CB 3.5Å; F2307-L2311 HydrophobicContact CD1-CD1 3.93Å; F2307-L2311 HydrophobicContact CE1-CD1 3.49Å; F2307-L2311 VanDerWaalsContact CE1-CD1 3.49Å; F2307-L2311 HydrophobicContact CE1-CG 4.34Å; F2307-L2311 HydrophobicContact CZ-CD1 3.84Å; F2307-L2311 HydrophobicContact CZ-CG 4.34Å; F2307-L2311 PolarHBondContact O-N 2.77Å; Q2308-L2311 PolarHBondContact O-N 3.18Å; K2309-L2311 VanDerWaalsContact C-N 3.31Å; K2309-L2311 PolarHBondContact O-N 2.81Å; L2311-E2313 VanDerWaalsContact C-N 3.34Å; L2311-E2313 PolarHBondContact O-N 3.34Å; L2311-R2314 CarbonylContact O-C 3.44Å; L2311-R2314 WeakPolarHBondContact O-CA 3.3Å; L2311-R2314 WeakPolarHBondContact O-CB 3.47Å; L2311-R2314 PolarHBondContact O-N 3.07Å; L2311-R2314 VanDerWaalsContact O-N 3.07Å; L2311-E2315 WeakPolarHBondContact O-CG 3.11Å; L2311-E2315 PolarHBondContact O-N 3.27Å |
| 2312 | A | 79.7 | Confident | 64.1 | Low | 17 Ų | 17 | 93.6 Ų | 93.6 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2268 A2269 V2272 Q2308 K2309 E2315 S2316 | A2268-A2312 HydrophobicContact CB-CB 4.14Å; A2269-A2312 HydrophobicContact CB-CB 4.09Å; V2272-A2312 HydrophobicContact CG2-CB 4.13Å; Q2308-A2312 VanDerWaalsContact O-CB 3.26Å; Q2308-A2312 WeakPolarHBondContact O-CB 3.49Å; Q2308-A2312 PolarHBondContact O-N 2.89Å; K2309-A2312 PolarHBondContact O-N 3.4Å; A2312-E2315 PolarHBondContact O-N 2.77Å; A2312-S2316 WeakPolarHBondContact O-CB 3.38Å; A2312-S2316 PolarHBondContact O-N 3.23Å; A2312-S2316 PolarHBondContact O-OG 2.72Å |
| 2313 | E | 64.3 | Low | 60.8 | Low | 116 Ų | 116 | 96.9 Ų | 96.9 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 169.1 | -74.2 | 178.6 | 143.2 | 0 | 0 | 112 | K2309 L2311 S2316 N2317 | K2309-E2313 WeakPolarHBondContact O-CB 3.46Å; K2309-E2313 WeakPolarHBondContact O-CG 3.42Å; K2309-E2313 PolarHBondContact O-N 3.14Å; L2311-E2313 VanDerWaalsContact C-N 3.34Å; L2311-E2313 PolarHBondContact O-N 3.34Å; E2313-S2316 WeakPolarHBondContact CA-OG 3.04Å; E2313-S2316 PolarHBondContact O-OG 2.75Å; E2313-N2317 WeakPolarHBondContact O-CB 3.4Å; E2313-N2317 PolarHBondContact O-N 2.96Å; E2313-N2317 PolarHBondContact O-ND2 3.5Å |
| 2314 | R | 59.2 | Low | 57.6 | Low | 155 Ų | 155 | 99.5 Ų | 99.5 | 59% | 0.585 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.2 | -37.6 | 172.3 | -90.6 | -179.7 | 161.1 | 174.8 | -4.8 | 112.5 | R2310 L2311 C2318 | R2310-R2314 WeakPolarHBondContact O-CB 3.48Å; R2310-R2314 PolarHBondContact O-N 2.79Å; L2311-R2314 CarbonylContact O-C 3.44Å; L2311-R2314 WeakPolarHBondContact O-CA 3.3Å; L2311-R2314 WeakPolarHBondContact O-CB 3.47Å; L2311-R2314 PolarHBondContact O-N 3.07Å; L2311-R2314 VanDerWaalsContact O-N 3.07Å; R2314-C2318 WeakPolarHBondContact O-CB 3.06Å; R2314-C2318 PolarHBondContact O-N 3.2Å; R2314-C2318 PolarHBondContact O-SG 2.91Å |
| 2315 | E | 64.6 | Low | 54.2 | Low | 69 Ų | 69 | 103.5 Ų | 103.5 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 174.6 | -76.7 | 179.9 | -162.9 | 0 | 0 | 111.4 | S2267 A2268 L2311 A2312 C2318 R2319 | S2267-E2315 WeakPolarHBondContact CB-OE2 3.49Å; S2267-E2315 PolarHBondContact OG-OE2 3.37Å; A2268-E2315 VanDerWaalsContact CB-OE1 3.24Å; A2268-E2315 WeakPolarHBondContact CB-OE1 3.17Å; A2268-E2315 PolarHBondContact N-OE1 3.48Å; A2268-E2315 PolarHBondContact N-OE2 3.48Å; L2311-E2315 WeakPolarHBondContact O-CG 3.11Å; L2311-E2315 PolarHBondContact O-N 3.27Å; A2312-E2315 PolarHBondContact O-N 2.77Å; E2315-C2318 CarbonylContact O-C 3.55Å; E2315-C2318 PolarHBondContact O-N 2.95Å; E2315-C2318 VanDerWaalsContact O-N 3.17Å; E2315-R2319 WeakPolarHBondContact O-CG 3.49Å; E2315-R2319 PolarHBondContact O-N 3.08Å |
| 2316 | S | 52.8 | Low | 50.8 | Low | 67 Ų | 67 | 109.4 Ų | 109.4 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.8 | -40.3 | 178.6 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | A2312 E2313 C2318 R2319 | A2312-S2316 WeakPolarHBondContact O-CB 3.38Å; A2312-S2316 PolarHBondContact O-N 3.23Å; A2312-S2316 PolarHBondContact O-OG 2.72Å; E2313-S2316 WeakPolarHBondContact CA-OG 3.04Å; E2313-S2316 PolarHBondContact O-OG 2.75Å; S2316-C2318 PolarHBondContact O-N 3.33Å; S2316-R2319 CarbonylContact O-C 3.6Å; S2316-R2319 PolarHBondContact O-N 3.29Å |
| 2317 | N | 39.5 | Very low | 47.8 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.6 | -20.5 | 170.9 | -78.4 | -64.8 | 0 | 0 | 0 | 112.9 | E2313 | E2313-N2317 WeakPolarHBondContact O-CB 3.4Å; E2313-N2317 PolarHBondContact O-N 2.96Å; E2313-N2317 PolarHBondContact O-ND2 3.5Å |
| 2318 | C | 33.6 | Very low | 44.7 | Very low | 73 Ų | 73 | 109.7 Ų | 109.7 | 49% | 0.493 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.7 | 5.2 | 169 | -65 | 0 | 0 | 0 | 0 | 113.7 | R34 R2314 E2315 S2316 | R34-C2318 PolarHBondContact NE-SG 2.73Å; R34-C2318 PolarHBondContact NH2-SG 3.04Å; R2314-C2318 WeakPolarHBondContact O-CB 3.06Å; R2314-C2318 PolarHBondContact O-N 3.2Å; R2314-C2318 PolarHBondContact O-SG 2.91Å; E2315-C2318 CarbonylContact O-C 3.55Å; E2315-C2318 PolarHBondContact O-N 2.95Å; E2315-C2318 VanDerWaalsContact O-N 3.17Å; S2316-C2318 PolarHBondContact O-N 3.33Å |
| 2319 | R | 29.4 | Very low | 41.5 | Very low | 213 Ų | 213 | 113.9 Ų | 113.9 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | -131.6 | 63.1 | -179.2 | -74.3 | -171.8 | 172.6 | -148.4 | 0.9 | 113 | E2315 S2316 | E2315-R2319 WeakPolarHBondContact O-CG 3.49Å; E2315-R2319 PolarHBondContact O-N 3.08Å; S2316-R2319 CarbonylContact O-C 3.6Å; S2316-R2319 PolarHBondContact O-N 3.29Å | ||
| 2320 | T | 23.9 | Very low | 38.3 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | trans | -126.9 | 55.4 | 164 | 23.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2321 | S | 21.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 116 Ų | 116 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -158.6 | 141.1 | 158.6 | -82.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 2322 | V | 23 | Very low | 32.8 | Very low | 139 Ų | 139 | 119 Ų | 119 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 57.3 | 77.5 | -178.4 | -163.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 2323 | N | 21.6 | Very low | 30 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 84% | 0.84 | 69% | 0.692 | S | S | * | * | -161.7 | 103.1 | 124.2 | -110.7 | 3.3 | 0 | 0 | 0 | 109.9 | |||||
| 2324 | N | 19.3 | Very low | 28 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -159.2 | 101.9 | 163 | -122.3 | -2.5 | 0 | 0 | 0 | 109.2 | ||||
| 2325 | N | 18.9 | Very low | 26 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | -173 | 124.7 | 138.1 | -97.9 | -12.4 | 0 | 0 | 0 | 110.1 | ||||
| 2326 | I | 19.2 | Very low | 23.9 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 67 | 91.3 | 148.8 | -55 | 174.1 | 0 | 0 | 0 | 116.2 | ||||
| 2327 | S | 18.5 | Very low | 22.3 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | 26.2 | 155.1 | 115.3 | 64.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 2328 | T | 20.5 | Very low | 21.3 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | cis | -156 | 169.1 | 42.9 | 39.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2329 | S | 19.3 | Very low | 20.5 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 80.2 | 147.5 | 154.9 | 85.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2330 | N | 19.9 | Very low | 20.1 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | cis | -150.2 | 161.5 | 3.8 | -135.8 | 1.7 | 0 | 0 | 0 | 115.4 | ||||
| 2331 | N | 21.7 | Very low | 19.8 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | 63.5 | 109.1 | 159.7 | -61.7 | -4.5 | 0 | 0 | 0 | 120.3 | ||||
| 2332 | S | 18.1 | Very low | 19.6 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -74.1 | 158.2 | 139.9 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2333 | I | 20.3 | Very low | 19.5 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -167.8 | 144.6 | 146 | -114.8 | 165.2 | 0 | 0 | 0 | 112.4 | ||||
| 2334 | I | 22.2 | Very low | 19.3 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 58.1 | 117.6 | 164.8 | -70 | 168.3 | 0 | 0 | 0 | 118.6 | E2336 | I2334-E2336 HydrophobicContact CG2-CB 4.45Š| ||
| 2335 | K | 19 | Very low | 19.4 | Very low | 204 Ų | 204 | 151.5 Ų | 151.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -83.9 | 135.1 | 144.4 | -55.4 | 169.4 | -178.9 | 173.9 | 0 | 107.1 | ||||
| 2336 | E | 19.8 | Very low | 19.4 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -159.6 | 164.1 | 141.7 | -128.3 | 170.2 | -144.8 | 0 | 0 | 113 | I2334 | I2334-E2336 HydrophobicContact CG2-CB 4.45Š| ||
| 2337 | T | 19.1 | Very low | 19.4 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | -117.6 | 129.8 | -170.8 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2338 | R | 17.8 | Very low | 19.4 | Very low | 241 Ų | 241 | 149.5 Ų | 149.5 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | -176.7 | 157.3 | 124 | -106.2 | 168.6 | 175.2 | 157 | -1.2 | 113.5 | |||||
| 2339 | N | 17.6 | Very low | 19.4 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -70.9 | 150.9 | 166.4 | -49.1 | -27.4 | 0 | 0 | 0 | 110 | ||||
| 2340 | Y | 20.3 | Very low | 19.3 | Very low | 238 Ų | 238 | 154 Ų | 154 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | trans | -146.3 | 154.5 | 131.4 | -104.5 | -72.2 | 0 | 0 | 0 | 109.9 | ||||
| 2341 | S | 17.7 | Very low | 19.3 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -94.3 | 164.2 | -162.2 | -58.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2342 | I | 18.5 | Very low | 19.3 | Very low | 150 Ų | 150 | 152 Ų | 152 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -33.2 | 138.3 | 157.2 | -61.3 | 155.3 | 0 | 0 | 0 | 113 | E2344 | I2342-E2344 HydrophobicContact CG2-CG 4.08Š| ||
| 2343 | P | 20.3 | Very low | 19.3 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 128.5 | 138.2 | 33.7 | -28.1 | 0 | 0 | 0 | 110.9 | ||||
| 2344 | E | 17.8 | Very low | 19.4 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -74.6 | 159.2 | 167.3 | -51 | 167.4 | 127.3 | 0 | 0 | 110.1 | I2342 | I2342-E2344 HydrophobicContact CG2-CG 4.08Š| ||
| 2345 | K | 20.8 | Very low | 19.2 | Very low | 193 Ų | 193 | 157.4 Ų | 157.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | -178.5 | 119.1 | 122 | -100.5 | 163.7 | -176.5 | 178 | 0 | 115.8 | |||||
| 2346 | S | 18.6 | Very low | 19.3 | Very low | 88 Ų | 88 | 153 Ų | 153 | 62% | 0.615 | 80% | 0.8 | S | S | * | * | 28.9 | 123.7 | 127.5 | 65.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 2347 | N | 19.3 | Very low | 19.3 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | 165 | 119.4 | 117.2 | -82.5 | -8.2 | 0 | 0 | 0 | 108.9 | |||||
| 2348 | T | 19.1 | Very low | 19.3 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | 55.1 | 115.1 | 79 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 2349 | L | 19.9 | Very low | 19.4 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | -156.4 | 164.3 | 105 | -160.5 | 52.2 | 0 | 0 | 0 | 111.1 | |||||
| 2350 | E | 17.5 | Very low | 19.6 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -94.4 | 178.4 | -163.1 | -56.9 | 156.1 | 95.5 | 0 | 0 | 114.7 | ||||
| 2351 | S | 19.2 | Very low | 19.5 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 82.7 | 118.5 | 141.6 | 78.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2352 | S | 21.9 | Very low | 19.6 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | -158.2 | 154 | 97.4 | 27.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 2353 | Q | 19.5 | Very low | 19.8 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -121 | 140.8 | -169.3 | -61.3 | 175 | -3.2 | 0 | 0 | 112 | ||||
| 2354 | S | 20.8 | Very low | 20 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -163.1 | 115.7 | 149.2 | 33.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 2355 | R | 18.1 | Very low | 20.2 | Very low | 231 Ų | 231 | 137.6 Ų | 137.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | 90.6 | 76.5 | 58.1 | -82.7 | -167.8 | 169.2 | -161.1 | -1.2 | 113.8 | |||||
| 2356 | S | 21.9 | Very low | 21.3 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -168 | 75.5 | 149.7 | 58.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2357 | S | 18.6 | Very low | 22.3 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | 51.3 | 80.4 | 63.2 | 82.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2358 | L | 20.8 | Very low | 23.1 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -151.8 | 110.5 | 140.8 | -113.9 | 167.9 | 0 | 0 | 0 | 109.5 | ||||
| 2359 | S | 18.4 | Very low | 24 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -80.1 | 135.4 | 175.1 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2360 | I | 21.6 | Very low | 25 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -121.4 | 141.1 | 150.5 | -67.8 | -175.8 | 0 | 0 | 0 | 107.8 | ||||
| 2361 | S | 19.9 | Very low | 26.2 | Very low | 85 Ų | 85 | 129 Ų | 129 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | trans | -32.9 | 132.8 | 172.2 | 37.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2362 | N | 18.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | 60.2 | 146.4 | 73.2 | -59.7 | -26.8 | 0 | 0 | 0 | 113.3 | |||||
| 2363 | T | 22.6 | Very low | 29.9 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | trans | 53.4 | 76.1 | 152 | 51.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2364 | N | 24.2 | Very low | 32.5 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | -131.5 | 92.7 | 125.1 | -84.7 | -52.9 | 0 | 0 | 0 | 106.9 | |||||
| 2365 | H | 23.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | 49 | 107 | 81.4 | -70.7 | -72.5 | 0 | 0 | 0 | 113.3 | N2367 | H2365-N2367 PolarHBondContact O-N 3.08Š| |||
| 2366 | S | 43.6 | Very low | 37.1 | Very low | 106 Ų | 106 | 112.1 Ų | 112.1 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 28.2 | 65.1 | 139.8 | 58.3 | 0 | 0 | 0 | 0 | 117.1 | ||
| 2367 | N | 39 | Very low | 39.6 | Very low | 110 Ų | 110 | 108.7 Ų | 108.7 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | trans | -165.9 | -1 | 150.1 | -95.3 | -23.9 | 0 | 0 | 0 | 115.4 | H2365 D2370 W2371 | H2365-N2367 PolarHBondContact O-N 3.08Å; N2367-D2370 VanDerWaalsContact C-N 3.3Å; N2367-D2370 HydrophobicContact CB-CB 4.15Å; N2367-D2370 CarbonylContact O-C 3.09Å; N2367-D2370 WeakPolarHBondContact O-CA 3.48Å; N2367-D2370 WeakPolarHBondContact O-CB 3.37Å; N2367-D2370 PolarHBondContact O-N 2.99Å; N2367-D2370 WeakPolarHBondContact OD1-CB 3.21Å; N2367-W2371 PolarHBondContact O-N 2.75Å | ||
| 2368 | D | 36.6 | Very low | 42.2 | Very low | 111 Ų | 111 | 105.9 Ų | 105.9 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -74.6 | -33.4 | 169.6 | -92.4 | -40.2 | 0 | 0 | 0 | 113.3 | D2370 W2371 V2372 | D2368-D2370 PolarHBondContact O-N 3.07Å; D2368-D2370 VanDerWaalsContact O-N 3.1Å; D2368-W2371 PolarHBondContact O-N 2.99Å; D2368-V2372 PolarHBondContact O-N 2.81Å |
| 2369 | Q | 38.4 | Very low | 44.5 | Very low | 135 Ų | 135 | 102 Ų | 102 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -60.2 | -12.1 | 158.6 | -87.1 | -148.9 | 30.7 | 0 | 0 | 112.5 | K1565 | K1565-Q2369 VanDerWaalsContact CD-O 3.24Å; K1565-Q2369 WeakPolarHBondContact CD-O 3.18Å; K1565-Q2369 WeakPolarHBondContact CE-O 3.36Å |
| 2370 | D | 40.5 | Very low | 46.9 | Very low | 52 Ų | 52 | 101.4 Ų | 101.4 | 28% | 0.278 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -100.9 | 3.1 | 172.7 | -142.1 | 56.1 | 0 | 0 | 0 | 114.6 | K1565 S1566 N2367 D2368 K2374 | K1565-D2370 HydrophobicContact CD-CB 4.38Å; K1565-D2370 WeakPolarHBondContact CD-OD1 3.27Å; K1565-D2370 WeakPolarHBondContact CE-O 3.05Å; K1565-D2370 PolarHBondContact NZ-O 2.69Å; S1566-D2370 PolarHBondContact OG-OD1 2.86Å; N2367-D2370 VanDerWaalsContact C-N 3.3Å; N2367-D2370 HydrophobicContact CB-CB 4.15Å; N2367-D2370 CarbonylContact O-C 3.09Å; N2367-D2370 WeakPolarHBondContact O-CA 3.48Å; N2367-D2370 WeakPolarHBondContact O-CB 3.37Å; N2367-D2370 PolarHBondContact O-N 2.99Å; N2367-D2370 WeakPolarHBondContact OD1-CB 3.21Å; D2368-D2370 PolarHBondContact O-N 3.07Å; D2368-D2370 VanDerWaalsContact O-N 3.1Å; D2370-K2374 VanDerWaalsContact CG-NZ 3.27Å; D2370-K2374 PolarHBondContact O-NZ 3.23Å; D2370-K2374 IonicContact OD1-NZ 3.38Å; D2370-K2374 IonicContact OD2-NZ 3.9Å; D2370-K2374 PolarHBondContact OD2-NZ 2.86Å |
| 2371 | W | 41.2 | Very low | 49.5 | Very low | 167 Ų | 167 | 98.4 Ų | 98.4 | 63% | 0.633 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -59.1 | 158.1 | 155.6 | 59.8 | 0 | 0 | 0 | 112.2 | K1565 N2367 D2368 R2373 K2374 | K1565-W2371 PolarHBondContact NZ-O 3.03Å; N2367-W2371 PolarHBondContact O-N 2.75Å; D2368-W2371 PolarHBondContact O-N 2.99Å; W2371-R2373 PolarHBondContact O-N 3.16Å; W2371-K2374 PolarHBondContact O-N 3.47Å; W2371-K2374 VanDerWaalsContact O-N 3.12Å |
| 2372 | V | 50.2 | Low | 52.4 | Low | 64 Ų | 64 | 99.5 Ų | 99.5 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -47.6 | -65.8 | -172.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | D2368 K2374 R2375 N2376 | D2368-V2372 PolarHBondContact O-N 2.81Å; V2372-K2374 PolarHBondContact O-N 3.05Å; V2372-R2375 WeakPolarHBondContact O-CA 3.48Å; V2372-R2375 WeakPolarHBondContact O-CB 3.15Å; V2372-R2375 PolarHBondContact O-N 2.77Å; V2372-N2376 PolarHBondContact O-N 3.46Å; V2372-N2376 PolarHBondContact O-OD1 2.93Å |
| 2373 | R | 70.5 | Confident | 55.1 | Low | 65 Ų | 65 | 97.3 Ų | 97.3 | 25% | 0.245 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -73.6 | 7.8 | -170.9 | -53.8 | -178.4 | -81.7 | 118.2 | -7.8 | 116.6 | I1563 D1564 K1565 W2371 N2376 Q2377 | I1563-R2373 PolarHBondContact O-NH1 3.27Å; D1564-R2373 CarbonylContact C-O 3.59Å; D1564-R2373 WeakPolarHBondContact O-CB 3.31Å; D1564-R2373 PolarHBondContact O-NH1 2.96Å; K1565-R2373 WeakPolarHBondContact CB-O 3.34Å; K1565-R2373 HydrophobicContact CD-CB 4.37Å; K1565-R2373 VanDerWaalsContact CG-C 3.49Å; K1565-R2373 HydrophobicContact CG-CB 3.74Å; K1565-R2373 PolarHBondContact N-O 2.76Å; K1565-R2373 VanDerWaalsContact N-O 3.08Å; W2371-R2373 PolarHBondContact O-N 3.16Å; R2373-N2376 WeakPolarHBondContact CA-OD1 3.42Å; R2373-N2376 HydrophobicContact CB-CB 4.18Å; R2373-N2376 CarbonylContact O-C 3.58Å; R2373-N2376 WeakPolarHBondContact O-CB 3.25Å; R2373-N2376 PolarHBondContact O-N 2.87Å; R2373-Q2377 PolarHBondContact O-N 2.78Å |
| 2374 | K | 72.6 | Confident | 57.5 | Low | 59 Ų | 59 | 97.4 Ų | 97.4 | 26% | 0.257 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -93.5 | -20.1 | 167.6 | -86.9 | 163.6 | -153.5 | 139.6 | 0 | 109.3 | K1565 S1566 D2370 W2371 V2372 N2376 Q2377 A2378 | K1565-K2374 HydrophobicContact CB-CB 4.39Å; K1565-K2374 HydrophobicContact CB-CG 3.53Å; K1565-K2374 HydrophobicContact CD-CD 4.43Å; K1565-K2374 HydrophobicContact CD-CG 3.97Å; K1565-K2374 HydrophobicContact CG-CG 4.18Å; K1565-K2374 VanDerWaalsContact NZ-CA 3.3Å; S1566-K2374 WeakPolarHBondContact O-CE 3.26Å; D2370-K2374 VanDerWaalsContact CG-NZ 3.27Å; D2370-K2374 PolarHBondContact O-NZ 3.23Å; D2370-K2374 IonicContact OD1-NZ 3.38Å; D2370-K2374 IonicContact OD2-NZ 3.9Å; D2370-K2374 PolarHBondContact OD2-NZ 2.86Å; W2371-K2374 PolarHBondContact O-N 3.47Å; W2371-K2374 VanDerWaalsContact O-N 3.12Å; V2372-K2374 PolarHBondContact O-N 3.05Å; K2374-N2376 VanDerWaalsContact C-N 3.3Å; K2374-Q2377 HydrophobicContact CG-CB 4.48Å; K2374-A2378 WeakPolarHBondContact O-CB 3.25Å; K2374-A2378 PolarHBondContact O-N 3.4Å |
| 2375 | R | 65.3 | Low | 60.2 | Low | 157 Ų | 157 | 93.7 Ų | 93.7 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.5 | -50.6 | 152.3 | -164 | -165.2 | 166.6 | 98.1 | 25.3 | 108.8 | V2372 Q2377 A2378 E2379 | V2372-R2375 WeakPolarHBondContact O-CA 3.48Å; V2372-R2375 WeakPolarHBondContact O-CB 3.15Å; V2372-R2375 PolarHBondContact O-N 2.77Å; R2375-Q2377 PolarHBondContact O-N 2.79Å; R2375-A2378 CarbonylContact O-C 3.58Å; R2375-A2378 PolarHBondContact O-N 2.86Å; R2375-E2379 HydrophobicContact CG-CG 4.48Å; R2375-E2379 WeakPolarHBondContact CG-OE1 3.25Å; R2375-E2379 IonicContact CZ-OE1 3.29Å; R2375-E2379 VanDerWaalsContact CZ-OE1 3.28Å; R2375-E2379 IonicContact NE-OE1 3.58Å; R2375-E2379 PolarHBondContact NE-OE1 2.81Å; R2375-E2379 IonicContact NE-OE2 2.57Å; R2375-E2379 IonicContact NH2-OE1 3.28Å; R2375-E2379 PolarHBondContact NH2-OE1 3.26Å; R2375-E2379 VanDerWaalsContact O-CB 3.25Å; R2375-E2379 WeakPolarHBondContact O-CB 3.38Å; R2375-E2379 VanDerWaalsContact O-CG 3.24Å; R2375-E2379 WeakPolarHBondContact O-CG 2.89Å; R2375-E2379 PolarHBondContact O-N 3.1Å |
| 2376 | N | 70.8 | Confident | 62.7 | Low | 59 Ų | 59 | 92.4 Ų | 92.4 | 32% | 0.316 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.5 | -50.1 | 30 | 0 | 0 | 0 | 111.8 | V2372 R2373 K2374 A2378 E2379 Q2380 | V2372-N2376 PolarHBondContact O-N 3.46Å; V2372-N2376 PolarHBondContact O-OD1 2.93Å; R2373-N2376 WeakPolarHBondContact CA-OD1 3.42Å; R2373-N2376 HydrophobicContact CB-CB 4.18Å; R2373-N2376 CarbonylContact O-C 3.58Å; R2373-N2376 WeakPolarHBondContact O-CB 3.25Å; R2373-N2376 PolarHBondContact O-N 2.87Å; K2374-N2376 VanDerWaalsContact C-N 3.3Å; N2376-A2378 PolarHBondContact O-N 3.02Å; N2376-E2379 CarbonylContact O-C 3.6Å; N2376-E2379 PolarHBondContact O-N 3.13Å; N2376-Q2380 WeakPolarHBondContact O-CB 3.46Å; N2376-Q2380 PolarHBondContact O-N 2.85Å |
| 2377 | Q | 75 | Confident | 63.9 | Low | 41 Ų | 41 | 91.6 Ų | 91.6 | 19% | 0.192 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 175.1 | -165.3 | -175.3 | -23.2 | 0 | 0 | 111.8 | K1565 S1566 R2373 K2374 R2375 Q2380 E2381 | K1565-Q2377 HydrophobicContact CB-CB 4.16Å; K1565-Q2377 VanDerWaalsContact CB-OE1 3.27Å; K1565-Q2377 PolarHBondContact O-OE1 2.84Å; K1565-Q2377 VanDerWaalsContact O-OE1 3.04Å; S1566-Q2377 VanDerWaalsContact C-OE1 3.24Å; S1566-Q2377 PolarHBondContact O-OE1 3.42Å; S1566-Q2377 VanDerWaalsContact O-OE1 3.13Å; R2373-Q2377 PolarHBondContact O-N 2.78Å; K2374-Q2377 HydrophobicContact CG-CB 4.48Å; R2375-Q2377 PolarHBondContact O-N 2.79Å; Q2377-Q2380 CarbonylContact O-C 3.45Å; Q2377-Q2380 PolarHBondContact O-N 3.49Å; Q2377-E2381 HydrophobicContact CG-CG 4.3Å; Q2377-E2381 WeakPolarHBondContact CG-OE1 3.47Å; Q2377-E2381 PolarHBondContact NE2-OE1 3.28Å; Q2377-E2381 WeakPolarHBondContact O-CB 3.23Å; Q2377-E2381 VanDerWaalsContact O-CG 3.24Å; Q2377-E2381 WeakPolarHBondContact O-CG 3.35Å; Q2377-E2381 PolarHBondContact O-N 2.65Å |
| 2378 | A | 72.8 | Confident | 65.6 | Low | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.1 | -29 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2374 R2375 N2376 Q2380 L2382 | K2374-A2378 WeakPolarHBondContact O-CB 3.25Å; K2374-A2378 PolarHBondContact O-N 3.4Å; R2375-A2378 CarbonylContact O-C 3.58Å; R2375-A2378 PolarHBondContact O-N 2.86Å; N2376-A2378 PolarHBondContact O-N 3.02Å; A2378-Q2380 VanDerWaalsContact C-N 3.35Å; A2378-L2382 WeakPolarHBondContact O-CA 3.2Å; A2378-L2382 WeakPolarHBondContact O-CB 3.4Å; A2378-L2382 PolarHBondContact O-N 3.38Å |
| 2379 | E | 69.2 | Low | 67.5 | Low | 89 Ų | 89 | 89.7 Ų | 89.7 | 42% | 0.416 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.6 | -31 | 171.4 | -74.7 | 168.9 | 173.7 | 0 | 0 | 110.5 | R2375 N2376 L2383 | R2375-E2379 HydrophobicContact CG-CG 4.48Å; R2375-E2379 WeakPolarHBondContact CG-OE1 3.25Å; R2375-E2379 IonicContact CZ-OE1 3.29Å; R2375-E2379 VanDerWaalsContact CZ-OE1 3.28Å; R2375-E2379 IonicContact NE-OE1 3.58Å; R2375-E2379 PolarHBondContact NE-OE1 2.81Å; R2375-E2379 IonicContact NE-OE2 2.57Å; R2375-E2379 IonicContact NH2-OE1 3.28Å; R2375-E2379 PolarHBondContact NH2-OE1 3.26Å; R2375-E2379 VanDerWaalsContact O-CB 3.25Å; R2375-E2379 WeakPolarHBondContact O-CB 3.38Å; R2375-E2379 VanDerWaalsContact O-CG 3.24Å; R2375-E2379 WeakPolarHBondContact O-CG 2.89Å; R2375-E2379 PolarHBondContact O-N 3.1Å; N2376-E2379 CarbonylContact O-C 3.6Å; N2376-E2379 PolarHBondContact O-N 3.13Å; E2379-L2383 WeakPolarHBondContact O-CB 3.1Å; E2379-L2383 PolarHBondContact O-N 3.04Å |
| 2380 | Q | 68.9 | Low | 69 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -82.8 | -41.5 | 177 | -170.4 | 168.2 | -11.2 | 0 | 0 | 112.2 | N2376 Q2377 A2378 L2382 L2383 E2384 | N2376-Q2380 WeakPolarHBondContact O-CB 3.46Å; N2376-Q2380 PolarHBondContact O-N 2.85Å; Q2377-Q2380 CarbonylContact O-C 3.45Å; Q2377-Q2380 PolarHBondContact O-N 3.49Å; A2378-Q2380 VanDerWaalsContact C-N 3.35Å; Q2380-L2382 VanDerWaalsContact C-N 3.3Å; Q2380-L2382 PolarHBondContact O-N 3.03Å; Q2380-L2383 CarbonylContact O-C 3.56Å; Q2380-L2383 WeakPolarHBondContact O-CB 3.44Å; Q2380-L2383 PolarHBondContact O-N 3.27Å; Q2380-L2383 VanDerWaalsContact O-N 3.14Å; Q2380-E2384 WeakPolarHBondContact O-CB 3.08Å; Q2380-E2384 WeakPolarHBondContact O-CG 3.27Å; Q2380-E2384 PolarHBondContact O-N 3.25Å |
| 2381 | E | 76 | Confident | 70.7 | Confident | 92 Ų | 92 | 88 Ų | 88 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 165.9 | -76.8 | 170.4 | -176.4 | 0 | 0 | 110.8 | Q2377 T2385 | Q2377-E2381 HydrophobicContact CG-CG 4.3Å; Q2377-E2381 WeakPolarHBondContact CG-OE1 3.47Å; Q2377-E2381 PolarHBondContact NE2-OE1 3.28Å; Q2377-E2381 WeakPolarHBondContact O-CB 3.23Å; Q2377-E2381 VanDerWaalsContact O-CG 3.24Å; Q2377-E2381 WeakPolarHBondContact O-CG 3.35Å; Q2377-E2381 PolarHBondContact O-N 2.65Å; E2381-T2385 WeakPolarHBondContact O-CA 3.49Å; E2381-T2385 WeakPolarHBondContact O-CB 3.37Å; E2381-T2385 PolarHBondContact O-N 2.95Å; E2381-T2385 PolarHBondContact O-OG1 2.93Å |
| 2382 | L | 81.1 | Confident | 72.4 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 57% | 0.565 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.2 | -41.2 | 170.7 | 176.8 | 65.9 | 0 | 0 | 0 | 110.7 | A2378 Q2380 Q2386 | A2378-L2382 WeakPolarHBondContact O-CA 3.2Å; A2378-L2382 WeakPolarHBondContact O-CB 3.4Å; A2378-L2382 PolarHBondContact O-N 3.38Å; Q2380-L2382 VanDerWaalsContact C-N 3.3Å; Q2380-L2382 PolarHBondContact O-N 3.03Å; L2382-Q2386 WeakPolarHBondContact O-CB 3.29Å; L2382-Q2386 PolarHBondContact O-N 2.85Å |
| 2383 | L | 74.4 | Confident | 73.6 | Confident | 98 Ų | 98 | 84.4 Ų | 84.4 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 176.9 | -150.9 | 76 | 0 | 0 | 0 | 111.9 | E2379 Q2380 Q2386 N2387 | E2379-L2383 WeakPolarHBondContact O-CB 3.1Å; E2379-L2383 PolarHBondContact O-N 3.04Å; Q2380-L2383 CarbonylContact O-C 3.56Å; Q2380-L2383 WeakPolarHBondContact O-CB 3.44Å; Q2380-L2383 PolarHBondContact O-N 3.27Å; Q2380-L2383 VanDerWaalsContact O-N 3.14Å; L2383-Q2386 CarbonylContact O-C 3.53Å; L2383-Q2386 PolarHBondContact O-N 3.18Å; L2383-N2387 VanDerWaalsContact O-CB 3.26Å; L2383-N2387 WeakPolarHBondContact O-CB 3.5Å; L2383-N2387 PolarHBondContact O-N 3.11Å; L2383-N2387 PolarHBondContact O-ND2 2.98Å |
| 2384 | E | 73.5 | Confident | 73.7 | Confident | 98 Ų | 98 | 85.8 Ų | 85.8 | 46% | 0.458 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.1 | -43.2 | 173.3 | -78 | 174.1 | -161.3 | 0 | 0 | 111.2 | Q2380 Q2386 N2387 Q2388 | Q2380-E2384 WeakPolarHBondContact O-CB 3.08Å; Q2380-E2384 WeakPolarHBondContact O-CG 3.27Å; Q2380-E2384 PolarHBondContact O-N 3.25Å; E2384-Q2386 VanDerWaalsContact C-N 3.27Å; E2384-Q2386 PolarHBondContact O-N 3.18Å; E2384-N2387 CarbonylContact O-C 3.59Å; E2384-N2387 PolarHBondContact O-N 2.96Å; E2384-Q2388 VanDerWaalsContact O-CB 3.23Å; E2384-Q2388 WeakPolarHBondContact O-CB 3.22Å; E2384-Q2388 VanDerWaalsContact O-CG 3.23Å; E2384-Q2388 WeakPolarHBondContact O-CG 3.16Å; E2384-Q2388 PolarHBondContact O-N 3.07Å |
| 2385 | T | 81.2 | Confident | 73.9 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 172.1 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | E2381 K2389 | E2381-T2385 WeakPolarHBondContact O-CA 3.49Å; E2381-T2385 WeakPolarHBondContact O-CB 3.37Å; E2381-T2385 PolarHBondContact O-N 2.95Å; E2381-T2385 PolarHBondContact O-OG1 2.93Å; T2385-K2389 WeakPolarHBondContact O-CB 3.33Å; T2385-K2389 PolarHBondContact O-N 2.87Å |
| 2386 | Q | 75 | Confident | 74.4 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 50% | 0.495 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 175.8 | -174.9 | 171 | -6 | 0 | 0 | 111.5 | L2382 L2383 E2384 K2389 I2390 | L2382-Q2386 WeakPolarHBondContact O-CB 3.29Å; L2382-Q2386 PolarHBondContact O-N 2.85Å; L2383-Q2386 CarbonylContact O-C 3.53Å; L2383-Q2386 PolarHBondContact O-N 3.18Å; E2384-Q2386 VanDerWaalsContact C-N 3.27Å; E2384-Q2386 PolarHBondContact O-N 3.18Å; Q2386-K2389 PolarHBondContact O-N 3.19Å; Q2386-I2390 HydrophobicContact CG-CD1 4.15Å; Q2386-I2390 WeakPolarHBondContact O-CB 3.41Å; Q2386-I2390 WeakPolarHBondContact O-CD1 3.31Å; Q2386-I2390 WeakPolarHBondContact O-CG1 3.43Å; Q2386-I2390 PolarHBondContact O-N 3.45Å |
| 2387 | N | 68.9 | Low | 74.8 | Confident | 89 Ų | 89 | 88.3 Ų | 88.3 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -73.9 | -37 | 175.9 | -73.8 | -22.7 | 0 | 0 | 0 | 112.4 | L2383 E2384 I2390 S2391 | L2383-N2387 VanDerWaalsContact O-CB 3.26Å; L2383-N2387 WeakPolarHBondContact O-CB 3.5Å; L2383-N2387 PolarHBondContact O-N 3.11Å; L2383-N2387 PolarHBondContact O-ND2 2.98Å; E2384-N2387 CarbonylContact O-C 3.59Å; E2384-N2387 PolarHBondContact O-N 2.96Å; N2387-I2390 PolarHBondContact O-N 3.24Å; N2387-S2391 VanDerWaalsContact O-CB 3.23Å; N2387-S2391 WeakPolarHBondContact O-CB 3.12Å; N2387-S2391 PolarHBondContact O-N 3.36Å |
| 2388 | Q | 76.3 | Confident | 74.4 | Confident | 132 Ų | 132 | 93.7 Ų | 93.7 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65 | -39.6 | 169.4 | -75.6 | 177.7 | 14.2 | 0 | 0 | 110.3 | E2384 S2391 Q2392 | E2384-Q2388 VanDerWaalsContact O-CB 3.23Å; E2384-Q2388 WeakPolarHBondContact O-CB 3.22Å; E2384-Q2388 VanDerWaalsContact O-CG 3.23Å; E2384-Q2388 WeakPolarHBondContact O-CG 3.16Å; E2384-Q2388 PolarHBondContact O-N 3.07Å; Q2388-S2391 PolarHBondContact O-N 2.75Å; Q2388-Q2392 WeakPolarHBondContact O-CA 3.43Å; Q2388-Q2392 WeakPolarHBondContact O-CB 3.48Å; Q2388-Q2392 PolarHBondContact O-N 3.27Å |
| 2389 | K | 75.8 | Confident | 74.7 | Confident | 49 Ų | 49 | 93 Ų | 93 | 21% | 0.213 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -74.7 | -28.4 | 176.2 | -162.7 | 152.9 | 178.1 | 168.1 | 0 | 112 | C243 I246 T2385 Q2386 L2393 | C243-K2389 PolarHBondContact O-NZ 3.46Å; I246-K2389 PolarHBondContact O-NZ 3.08Å; T2385-K2389 WeakPolarHBondContact O-CB 3.33Å; T2385-K2389 PolarHBondContact O-N 2.87Å; Q2386-K2389 PolarHBondContact O-N 3.19Å; K2389-L2393 WeakPolarHBondContact O-CB 3.49Å; K2389-L2393 WeakPolarHBondContact O-CD1 3.48Å; K2389-L2393 WeakPolarHBondContact O-CG 3.36Å; K2389-L2393 PolarHBondContact O-N 2.74Å |
| 2390 | I | 69.7 | Low | 75.4 | Confident | 81 Ų | 81 | 92.7 Ų | 92.7 | 42% | 0.415 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.2 | -44.8 | 166.2 | -73.7 | 162 | 0 | 0 | 0 | 110.7 | Q2386 N2387 L2393 E2394 | Q2386-I2390 HydrophobicContact CG-CD1 4.15Å; Q2386-I2390 WeakPolarHBondContact O-CB 3.41Å; Q2386-I2390 WeakPolarHBondContact O-CD1 3.31Å; Q2386-I2390 WeakPolarHBondContact O-CG1 3.43Å; Q2386-I2390 PolarHBondContact O-N 3.45Å; N2387-I2390 PolarHBondContact O-N 3.24Å; I2390-L2393 CarbonylContact O-C 3.48Å; I2390-L2393 PolarHBondContact O-N 3.39Å; I2390-E2394 PolarHBondContact O-N 2.87Å |
| 2391 | S | 77 | Confident | 76 | Confident | 72 Ų | 72 | 92.1 Ų | 92.1 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | N2387 Q2388 E2394 Q2395 | N2387-S2391 VanDerWaalsContact O-CB 3.23Å; N2387-S2391 WeakPolarHBondContact O-CB 3.12Å; N2387-S2391 PolarHBondContact O-N 3.36Å; Q2388-S2391 PolarHBondContact O-N 2.75Å; S2391-E2394 CarbonylContact O-C 2.93Å; S2391-E2394 WeakPolarHBondContact O-CB 3.4Å; S2391-E2394 PolarHBondContact O-N 2.79Å; S2391-Q2395 VanDerWaalsContact O-CB 3.28Å; S2391-Q2395 WeakPolarHBondContact O-CB 3.39Å; S2391-Q2395 PolarHBondContact O-N 3.18Å |
| 2392 | Q | 76.5 | Confident | 76.2 | Confident | 89 Ų | 89 | 92.5 Ų | 92.5 | 42% | 0.416 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 172 | -173.5 | -176.7 | 48.6 | 0 | 0 | 111 | Q2388 E2394 Q2395 E2396 | Q2388-Q2392 WeakPolarHBondContact O-CA 3.43Å; Q2388-Q2392 WeakPolarHBondContact O-CB 3.48Å; Q2388-Q2392 PolarHBondContact O-N 3.27Å; Q2392-E2394 VanDerWaalsContact C-N 3.35Å; Q2392-Q2395 PolarHBondContact O-N 2.72Å; Q2392-E2396 VanDerWaalsContact O-CB 3.27Å; Q2392-E2396 WeakPolarHBondContact O-CB 3.49Å; Q2392-E2396 PolarHBondContact O-N 3.29Å |
| 2393 | L | 75.1 | Confident | 76.1 | Confident | 65 Ų | 65 | 93.8 Ų | 93.8 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.4 | -31.3 | 171.5 | -78.2 | 168.1 | 0 | 0 | 0 | 112.3 | K2389 I2390 H2397 | K2389-L2393 WeakPolarHBondContact O-CB 3.49Å; K2389-L2393 WeakPolarHBondContact O-CD1 3.48Å; K2389-L2393 WeakPolarHBondContact O-CG 3.36Å; K2389-L2393 PolarHBondContact O-N 2.74Å; I2390-L2393 CarbonylContact O-C 3.48Å; I2390-L2393 PolarHBondContact O-N 3.39Å; L2393-H2397 WeakPolarHBondContact O-CA 3.47Å; L2393-H2397 WeakPolarHBondContact O-CB 3.31Å; L2393-H2397 PolarHBondContact O-N 2.76Å |
| 2394 | E | 72.4 | Confident | 76 | Confident | 94 Ų | 94 | 93.8 Ų | 93.8 | 44% | 0.439 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.5 | -37.7 | 169.4 | -83.8 | -152.1 | -170.9 | 0 | 0 | 111.8 | I2390 S2391 Q2392 H2397 R2398 | I2390-E2394 PolarHBondContact O-N 2.87Å; S2391-E2394 CarbonylContact O-C 2.93Å; S2391-E2394 WeakPolarHBondContact O-CB 3.4Å; S2391-E2394 PolarHBondContact O-N 2.79Å; Q2392-E2394 VanDerWaalsContact C-N 3.35Å; E2394-H2397 CarbonylContact O-C 3.36Å; E2394-H2397 PolarHBondContact O-N 2.75Å; E2394-R2398 WeakPolarHBondContact O-CB 3.41Å; E2394-R2398 WeakPolarHBondContact O-CG 3.46Å; E2394-R2398 PolarHBondContact O-N 3.43Å; E2394-R2398 IonicContact OE2-CZ 2.93Å; E2394-R2398 IonicContact OE2-NE 3.93Å; E2394-R2398 IonicContact OE2-NH2 2.76Å; E2394-R2398 PolarHBondContact OE2-NH2 3.07Å |
| 2395 | Q | 77.7 | Confident | 76.1 | Confident | 138 Ų | 138 | 94 Ų | 94 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -74 | -38.1 | 179.1 | -160.4 | 179 | 48.6 | 0 | 0 | 110.9 | S2391 Q2392 R2398 A2399 | S2391-Q2395 VanDerWaalsContact O-CB 3.28Å; S2391-Q2395 WeakPolarHBondContact O-CB 3.39Å; S2391-Q2395 PolarHBondContact O-N 3.18Å; Q2392-Q2395 PolarHBondContact O-N 2.72Å; Q2395-R2398 PolarHBondContact O-N 2.92Å; Q2395-A2399 WeakPolarHBondContact O-CB 3.39Å; Q2395-A2399 PolarHBondContact O-N 2.8Å |
| 2396 | E | 76.3 | Confident | 75.9 | Confident | 89 Ų | 89 | 95 Ų | 95 | 42% | 0.416 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.8 | -36 | 165.3 | -96.2 | -109 | 106.6 | 0 | 0 | 111.4 | Q2392 A2399 M2400 R2403 | Q2392-E2396 VanDerWaalsContact O-CB 3.27Å; Q2392-E2396 WeakPolarHBondContact O-CB 3.49Å; Q2392-E2396 PolarHBondContact O-N 3.29Å; E2396-A2399 CarbonylContact O-C 3.54Å; E2396-A2399 PolarHBondContact O-N 2.73Å; E2396-M2400 WeakPolarHBondContact O-CA 3.43Å; E2396-M2400 WeakPolarHBondContact O-CB 3.17Å; E2396-M2400 PolarHBondContact O-N 3.21Å; E2396-R2403 IonicContact OE1-NH1 2.74Å; E2396-R2403 PolarHBondContact OE1-NH1 3.46Å |
| 2397 | H | 77.8 | Confident | 75.9 | Confident | 101 Ų | 101 | 96 Ų | 96 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 175 | -175.2 | -160.3 | 0 | 0 | 0 | 111 | L2393 E2394 M2400 L2401 | L2393-H2397 WeakPolarHBondContact O-CA 3.47Å; L2393-H2397 WeakPolarHBondContact O-CB 3.31Å; L2393-H2397 PolarHBondContact O-N 2.76Å; E2394-H2397 CarbonylContact O-C 3.36Å; E2394-H2397 PolarHBondContact O-N 2.75Å; H2397-M2400 PolarHBondContact O-N 3.28Å; H2397-L2401 VanDerWaalsContact O-CB 3.31Å; H2397-L2401 WeakPolarHBondContact O-CB 3.38Å; H2397-L2401 WeakPolarHBondContact O-CG 3.27Å; H2397-L2401 PolarHBondContact O-N 2.83Å |
| 2398 | R | 67.8 | Low | 75.8 | Confident | 155 Ų | 155 | 94.1 Ų | 94.1 | 59% | 0.585 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 170.9 | -70.6 | 169.3 | -157.4 | -154.2 | 10 | 110.8 | E2394 Q2395 M2400 L2401 I2402 | E2394-R2398 WeakPolarHBondContact O-CB 3.41Å; E2394-R2398 WeakPolarHBondContact O-CG 3.46Å; E2394-R2398 PolarHBondContact O-N 3.43Å; E2394-R2398 IonicContact OE2-CZ 2.93Å; E2394-R2398 IonicContact OE2-NE 3.93Å; E2394-R2398 IonicContact OE2-NH2 2.76Å; E2394-R2398 PolarHBondContact OE2-NH2 3.07Å; Q2395-R2398 PolarHBondContact O-N 2.92Å; R2398-M2400 VanDerWaalsContact C-N 3.34Å; R2398-M2400 PolarHBondContact O-N 2.94Å; R2398-L2401 CarbonylContact O-C 3.56Å; R2398-L2401 PolarHBondContact O-N 2.88Å; R2398-I2402 WeakPolarHBondContact O-CB 3.29Å; R2398-I2402 VanDerWaalsContact O-CG1 3.25Å; R2398-I2402 WeakPolarHBondContact O-CG1 3.31Å; R2398-I2402 PolarHBondContact O-N 2.9Å |
| 2399 | A | 78.2 | Confident | 75.6 | Confident | 35 Ų | 35 | 93.3 Ų | 93.3 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.1 | -31.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2395 E2396 R2403 | Q2395-A2399 WeakPolarHBondContact O-CB 3.39Å; Q2395-A2399 PolarHBondContact O-N 2.8Å; E2396-A2399 CarbonylContact O-C 3.54Å; E2396-A2399 PolarHBondContact O-N 2.73Å; A2399-R2403 VanDerWaalsContact O-CB 3.26Å; A2399-R2403 WeakPolarHBondContact O-CB 3.28Å; A2399-R2403 WeakPolarHBondContact O-CD 3.18Å; A2399-R2403 WeakPolarHBondContact O-CG 3.1Å; A2399-R2403 PolarHBondContact O-N 2.93Å |
| 2400 | M | 84.2 | Confident | 75.2 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 41% | 0.409 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.4 | -38.3 | 172.4 | 174.2 | 169.5 | 54.4 | 0 | 0 | 110.9 | E2396 H2397 R2398 R2403 Q2404 | E2396-M2400 WeakPolarHBondContact O-CA 3.43Å; E2396-M2400 WeakPolarHBondContact O-CB 3.17Å; E2396-M2400 PolarHBondContact O-N 3.21Å; H2397-M2400 PolarHBondContact O-N 3.28Å; R2398-M2400 VanDerWaalsContact C-N 3.34Å; R2398-M2400 PolarHBondContact O-N 2.94Å; M2400-R2403 CarbonylContact O-C 3.46Å; M2400-R2403 PolarHBondContact O-N 3.32Å; M2400-Q2404 WeakPolarHBondContact O-CB 3.45Å; M2400-Q2404 WeakPolarHBondContact O-CG 3.14Å; M2400-Q2404 PolarHBondContact O-N 3.1Å |
| 2401 | L | 80.9 | Confident | 74.5 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 45% | 0.445 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 171.5 | -75.4 | 165.1 | 0 | 0 | 0 | 110.2 | H2397 R2398 Q2404 E2405 | H2397-L2401 VanDerWaalsContact O-CB 3.31Å; H2397-L2401 WeakPolarHBondContact O-CB 3.38Å; H2397-L2401 WeakPolarHBondContact O-CG 3.27Å; H2397-L2401 PolarHBondContact O-N 2.83Å; R2398-L2401 CarbonylContact O-C 3.56Å; R2398-L2401 PolarHBondContact O-N 2.88Å; L2401-Q2404 CarbonylContact O-C 3.59Å; L2401-Q2404 PolarHBondContact O-N 2.72Å; L2401-Q2404 VanDerWaalsContact O-N 3.15Å; L2401-E2405 WeakPolarHBondContact O-CB 3.23Å; L2401-E2405 PolarHBondContact O-N 2.71Å |
| 2402 | I | 81 | Confident | 73.6 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 171.1 | -68.2 | 162.1 | 0 | 0 | 0 | 110.8 | R2398 Q2404 E2405 L2406 | R2398-I2402 WeakPolarHBondContact O-CB 3.29Å; R2398-I2402 VanDerWaalsContact O-CG1 3.25Å; R2398-I2402 WeakPolarHBondContact O-CG1 3.31Å; R2398-I2402 PolarHBondContact O-N 2.9Å; I2402-Q2404 VanDerWaalsContact C-N 3.28Å; I2402-Q2404 PolarHBondContact O-N 3.27Å; I2402-E2405 PolarHBondContact O-N 3.24Å; I2402-L2406 HydrophobicContact CG2-CD1 3.95Å; I2402-L2406 HydrophobicContact CG2-CG 4.37Å; I2402-L2406 VanDerWaalsContact O-CB 3.23Å; I2402-L2406 WeakPolarHBondContact O-CB 3.42Å; I2402-L2406 VanDerWaalsContact O-CG 3.27Å; I2402-L2406 WeakPolarHBondContact O-CG 3.24Å; I2402-L2406 PolarHBondContact O-N 3.29Å |
| 2403 | R | 79.3 | Confident | 72.4 | Confident | 134 Ų | 134 | 102 Ų | 102 | 51% | 0.506 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -22.6 | 172.6 | -73.7 | 164.2 | 174.8 | 162.3 | -1.8 | 112.8 | E2396 A2399 M2400 R2407 | E2396-R2403 IonicContact OE1-NH1 2.74Å; E2396-R2403 PolarHBondContact OE1-NH1 3.46Å; A2399-R2403 VanDerWaalsContact O-CB 3.26Å; A2399-R2403 WeakPolarHBondContact O-CB 3.28Å; A2399-R2403 WeakPolarHBondContact O-CD 3.18Å; A2399-R2403 WeakPolarHBondContact O-CG 3.1Å; A2399-R2403 PolarHBondContact O-N 2.93Å; M2400-R2403 CarbonylContact O-C 3.46Å; M2400-R2403 PolarHBondContact O-N 3.32Å; R2403-R2407 VanDerWaalsContact O-CB 3.28Å; R2403-R2407 WeakPolarHBondContact O-CB 3.33Å; R2403-R2407 WeakPolarHBondContact O-CG 3.42Å; R2403-R2407 PolarHBondContact O-N 2.83Å; R2403-R2407 VanDerWaalsContact O-N 3.14Å; R2403-R2407 PolarHBondContact O-NE 2.85Å |
| 2404 | Q | 71.1 | Confident | 70.5 | Confident | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -84 | -35.8 | 172.2 | -81.9 | -169.1 | 26.1 | 0 | 0 | 111.1 | M2400 L2401 I2402 R2407 A2408 | M2400-Q2404 WeakPolarHBondContact O-CB 3.45Å; M2400-Q2404 WeakPolarHBondContact O-CG 3.14Å; M2400-Q2404 PolarHBondContact O-N 3.1Å; L2401-Q2404 CarbonylContact O-C 3.59Å; L2401-Q2404 PolarHBondContact O-N 2.72Å; L2401-Q2404 VanDerWaalsContact O-N 3.15Å; I2402-Q2404 VanDerWaalsContact C-N 3.28Å; I2402-Q2404 PolarHBondContact O-N 3.27Å; Q2404-R2407 CarbonylContact O-C 3.58Å; Q2404-R2407 PolarHBondContact O-N 3.14Å; Q2404-A2408 WeakPolarHBondContact O-CB 3.33Å; Q2404-A2408 PolarHBondContact O-N 2.99Å |
| 2405 | E | 77 | Confident | 68.8 | Low | 104 Ų | 104 | 109.4 Ų | 109.4 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.9 | -38.2 | 175.9 | -162.4 | -171.9 | 130.6 | 0 | 0 | 110.7 | L2401 I2402 A2408 K2409 | L2401-E2405 WeakPolarHBondContact O-CB 3.23Å; L2401-E2405 PolarHBondContact O-N 2.71Å; I2402-E2405 PolarHBondContact O-N 3.24Å; E2405-A2408 CarbonylContact O-C 3.45Å; E2405-A2408 PolarHBondContact O-N 3.31Å; E2405-K2409 HydrophobicContact CG-CD 4.34Å; E2405-K2409 VanDerWaalsContact O-CB 3.3Å; E2405-K2409 WeakPolarHBondContact O-CB 3.16Å; E2405-K2409 WeakPolarHBondContact O-CD 3.15Å; E2405-K2409 VanDerWaalsContact O-CG 3.24Å; E2405-K2409 WeakPolarHBondContact O-CG 3.08Å; E2405-K2409 PolarHBondContact O-N 2.99Å; E2405-K2409 VanDerWaalsContact OE1-CE 3.22Å; E2405-K2409 WeakPolarHBondContact OE1-CE 3.36Å; E2405-K2409 IonicContact OE1-NZ 2.75Å; E2405-K2409 PolarHBondContact OE1-NZ 2.85Å |
| 2406 | L | 76.8 | Confident | 66.9 | Low | 95 Ų | 95 | 109.3 Ų | 109.3 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 166.5 | -75.1 | 170.2 | 0 | 0 | 0 | 110.2 | I2402 A2408 K2409 E2410 | I2402-L2406 HydrophobicContact CG2-CD1 3.95Å; I2402-L2406 HydrophobicContact CG2-CG 4.37Å; I2402-L2406 VanDerWaalsContact O-CB 3.23Å; I2402-L2406 WeakPolarHBondContact O-CB 3.42Å; I2402-L2406 VanDerWaalsContact O-CG 3.27Å; I2402-L2406 WeakPolarHBondContact O-CG 3.24Å; I2402-L2406 PolarHBondContact O-N 3.29Å; L2406-A2408 PolarHBondContact O-N 3.48Å; L2406-K2409 CarbonylContact O-C 3.53Å; L2406-K2409 PolarHBondContact O-N 3.31Å; L2406-K2409 VanDerWaalsContact O-N 3.09Å; L2406-E2410 WeakPolarHBondContact O-CB 3.23Å; L2406-E2410 WeakPolarHBondContact O-CG 3.27Å; L2406-E2410 PolarHBondContact O-N 3.07Å |
| 2407 | R | 74.5 | Confident | 65.1 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -22.9 | 173.5 | -80 | 178.1 | -68.4 | 178.4 | -2.9 | 113.9 | R2403 Q2404 E2410 R2411 | R2403-R2407 VanDerWaalsContact O-CB 3.28Å; R2403-R2407 WeakPolarHBondContact O-CB 3.33Å; R2403-R2407 WeakPolarHBondContact O-CG 3.42Å; R2403-R2407 PolarHBondContact O-N 2.83Å; R2403-R2407 VanDerWaalsContact O-N 3.14Å; R2403-R2407 PolarHBondContact O-NE 2.85Å; Q2404-R2407 CarbonylContact O-C 3.58Å; Q2404-R2407 PolarHBondContact O-N 3.14Å; R2407-E2410 WeakPolarHBondContact CA-OE2 3.45Å; R2407-E2410 VanDerWaalsContact CG-OE2 3.27Å; R2407-E2410 WeakPolarHBondContact CG-OE2 3.4Å; R2407-R2411 VanDerWaalsContact O-CB 3.23Å; R2407-R2411 WeakPolarHBondContact O-CB 3.23Å; R2407-R2411 WeakPolarHBondContact O-CD 3.25Å; R2407-R2411 WeakPolarHBondContact O-CG 3.29Å; R2407-R2411 PolarHBondContact O-N 3.39Å |
| 2408 | A | 67.4 | Low | 63 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.4 | -40 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q2404 E2405 L2406 R2411 T2412 | Q2404-A2408 WeakPolarHBondContact O-CB 3.33Å; Q2404-A2408 PolarHBondContact O-N 2.99Å; E2405-A2408 CarbonylContact O-C 3.45Å; E2405-A2408 PolarHBondContact O-N 3.31Å; L2406-A2408 PolarHBondContact O-N 3.48Å; A2408-R2411 CarbonylContact O-C 3.49Å; A2408-R2411 PolarHBondContact O-N 3.16Å; A2408-T2412 PolarHBondContact O-N 3.38Å; A2408-T2412 PolarHBondContact O-OG1 3.19Å |
| 2409 | K | 72.4 | Confident | 61.1 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 173.6 | -76.7 | 163.1 | 167.8 | 168.1 | 0 | 111.7 | E2405 L2406 R2411 T2412 H2413 | E2405-K2409 HydrophobicContact CG-CD 4.34Å; E2405-K2409 VanDerWaalsContact O-CB 3.3Å; E2405-K2409 WeakPolarHBondContact O-CB 3.16Å; E2405-K2409 WeakPolarHBondContact O-CD 3.15Å; E2405-K2409 VanDerWaalsContact O-CG 3.24Å; E2405-K2409 WeakPolarHBondContact O-CG 3.08Å; E2405-K2409 PolarHBondContact O-N 2.99Å; E2405-K2409 VanDerWaalsContact OE1-CE 3.22Å; E2405-K2409 WeakPolarHBondContact OE1-CE 3.36Å; E2405-K2409 IonicContact OE1-NZ 2.75Å; E2405-K2409 PolarHBondContact OE1-NZ 2.85Å; L2406-K2409 CarbonylContact O-C 3.53Å; L2406-K2409 PolarHBondContact O-N 3.31Å; L2406-K2409 VanDerWaalsContact O-N 3.09Å; K2409-R2411 VanDerWaalsContact C-N 3.34Å; K2409-T2412 WeakPolarHBondContact CA-OG1 3.46Å; K2409-T2412 PolarHBondContact O-N 2.88Å; K2409-T2412 PolarHBondContact O-OG1 3.44Å; K2409-H2413 WeakPolarHBondContact O-CB 3.34Å; K2409-H2413 PolarHBondContact O-N 3.22Å |
| 2410 | E | 66.2 | Low | 58.5 | Low | 115 Ų | 115 | 117 Ų | 117 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 168.8 | -73 | 179.6 | 137.6 | 0 | 0 | 111.1 | L2406 R2407 H2413 W2414 | L2406-E2410 WeakPolarHBondContact O-CB 3.23Å; L2406-E2410 WeakPolarHBondContact O-CG 3.27Å; L2406-E2410 PolarHBondContact O-N 3.07Å; R2407-E2410 WeakPolarHBondContact CA-OE2 3.45Å; R2407-E2410 VanDerWaalsContact CG-OE2 3.27Å; R2407-E2410 WeakPolarHBondContact CG-OE2 3.4Å; E2410-H2413 PolarHBondContact O-N 3.24Å; E2410-W2414 VanDerWaalsContact O-CB 3.31Å; E2410-W2414 WeakPolarHBondContact O-CB 3.3Å; E2410-W2414 PolarHBondContact O-N 3.08Å |
| 2411 | R | 55.9 | Low | 55.7 | Low | 175 Ų | 175 | 116.8 Ų | 116.8 | 66% | 0.66 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 174.8 | -80.9 | 170.7 | -177.7 | -149.4 | -0.8 | 111.8 | R2407 A2408 K2409 H2413 W2414 F2415 | R2407-R2411 VanDerWaalsContact O-CB 3.23Å; R2407-R2411 WeakPolarHBondContact O-CB 3.23Å; R2407-R2411 WeakPolarHBondContact O-CD 3.25Å; R2407-R2411 WeakPolarHBondContact O-CG 3.29Å; R2407-R2411 PolarHBondContact O-N 3.39Å; A2408-R2411 CarbonylContact O-C 3.49Å; A2408-R2411 PolarHBondContact O-N 3.16Å; K2409-R2411 VanDerWaalsContact C-N 3.34Å; R2411-H2413 VanDerWaalsContact C-N 3.35Å; R2411-W2414 CarbonylContact O-C 3.56Å; R2411-W2414 WeakPolarHBondContact O-CB 3.35Å; R2411-W2414 PolarHBondContact O-N 3.38Å; R2411-F2415 WeakPolarHBondContact O-CD2 3.36Å; R2411-F2415 PolarHBondContact O-N 3.05Å |
| 2412 | T | 57 | Low | 52.9 | Low | 79 Ų | 79 | 121.3 Ų | 121.3 | 49% | 0.485 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -41.7 | 175.3 | 50.9 | 0 | 0 | 0 | 0 | 111 | A2408 K2409 W2414 F2415 E2416 | A2408-T2412 PolarHBondContact O-N 3.38Å; A2408-T2412 PolarHBondContact O-OG1 3.19Å; K2409-T2412 WeakPolarHBondContact CA-OG1 3.46Å; K2409-T2412 PolarHBondContact O-N 2.88Å; K2409-T2412 PolarHBondContact O-OG1 3.44Å; T2412-W2414 VanDerWaalsContact C-N 3.33Å; T2412-W2414 PolarHBondContact O-N 3.15Å; T2412-F2415 CarbonylContact O-C 3Å; T2412-F2415 WeakPolarHBondContact O-CA 3.3Å; T2412-F2415 PolarHBondContact O-N 3.48Å; T2412-E2416 WeakPolarHBondContact O-CG 3.27Å; T2412-E2416 PolarHBondContact O-N 2.75Å |
| 2413 | H | 51.4 | Low | 49.9 | Very low | 105 Ų | 105 | 119 Ų | 119 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -36.9 | 173 | -175.8 | -124.5 | 0 | 0 | 0 | 112.3 | K2409 E2410 R2411 F2415 E2416 N2417 | K2409-H2413 WeakPolarHBondContact O-CB 3.34Å; K2409-H2413 PolarHBondContact O-N 3.22Å; E2410-H2413 PolarHBondContact O-N 3.24Å; R2411-H2413 VanDerWaalsContact C-N 3.35Å; H2413-F2415 VanDerWaalsContact C-N 3.35Å; H2413-E2416 PolarHBondContact O-N 2.55Å; H2413-N2417 PolarHBondContact CD2-ND2 2.93Å; H2413-N2417 PolarHBondContact CE1-ND2 2.76Å; H2413-N2417 PolarHBondContact NE2-ND2 2.98Å; H2413-N2417 VanDerWaalsContact O-CB 3.31Å; H2413-N2417 WeakPolarHBondContact O-CB 3.46Å; H2413-N2417 PolarHBondContact O-N 3.34Å |
| 2414 | W | 36.6 | Very low | 47.1 | Very low | 171 Ų | 171 | 118.2 Ų | 118.2 | 65% | 0.648 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.4 | -30.6 | 170.5 | -106.4 | 74.2 | 0 | 0 | 0 | 113.4 | E2410 R2411 T2412 K2418 | E2410-W2414 VanDerWaalsContact O-CB 3.31Å; E2410-W2414 WeakPolarHBondContact O-CB 3.3Å; E2410-W2414 PolarHBondContact O-N 3.08Å; R2411-W2414 CarbonylContact O-C 3.56Å; R2411-W2414 WeakPolarHBondContact O-CB 3.35Å; R2411-W2414 PolarHBondContact O-N 3.38Å; T2412-W2414 VanDerWaalsContact C-N 3.33Å; T2412-W2414 PolarHBondContact O-N 3.15Å; W2414-K2418 HydrophobicContact CE3-CD 4.2Å; W2414-K2418 VanDerWaalsContact CZ3-CE 3.48Å; W2414-K2418 VanDerWaalsContact O-CB 3.26Å; W2414-K2418 WeakPolarHBondContact O-CB 2.99Å; W2414-K2418 VanDerWaalsContact O-CG 3.24Å; W2414-K2418 WeakPolarHBondContact O-CG 3.24Å; W2414-K2418 PolarHBondContact O-N 3.32Å |
| 2415 | F | 35.7 | Very low | 44.6 | Very low | 144 Ų | 144 | 118.2 Ų | 118.2 | 63% | 0.632 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.8 | -30.7 | 175.3 | -79 | -63.4 | 0 | 0 | 0 | 112.4 | R2411 T2412 H2413 | R2411-F2415 WeakPolarHBondContact O-CD2 3.36Å; R2411-F2415 PolarHBondContact O-N 3.05Å; T2412-F2415 CarbonylContact O-C 3Å; T2412-F2415 WeakPolarHBondContact O-CA 3.3Å; T2412-F2415 PolarHBondContact O-N 3.48Å; H2413-F2415 VanDerWaalsContact C-N 3.35Å |
| 2416 | E | 38.5 | Very low | 41.9 | Very low | 135 Ų | 135 | 117.8 Ų | 117.8 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73 | -53.4 | 172.1 | -72.9 | 179.4 | 120.2 | 0 | 0 | 111.2 | T2412 H2413 K2418 H2419 | T2412-E2416 WeakPolarHBondContact O-CG 3.27Å; T2412-E2416 PolarHBondContact O-N 2.75Å; H2413-E2416 PolarHBondContact O-N 2.55Å; E2416-K2418 PolarHBondContact O-N 2.77Å; E2416-K2418 VanDerWaalsContact O-N 3.16Å; E2416-H2419 PolarHBondContact O-N 2.8Å |
| 2417 | N | 37.1 | Very low | 39.2 | Very low | 88 Ų | 88 | 118 Ų | 118 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.8 | -15.2 | -179.8 | -73.5 | -13.9 | 0 | 0 | 0 | 113.9 | H2413 H2419 | H2413-N2417 PolarHBondContact CD2-ND2 2.93Å; H2413-N2417 PolarHBondContact CE1-ND2 2.76Å; H2413-N2417 PolarHBondContact NE2-ND2 2.98Å; H2413-N2417 VanDerWaalsContact O-CB 3.31Å; H2413-N2417 WeakPolarHBondContact O-CB 3.46Å; H2413-N2417 PolarHBondContact O-N 3.34Å; N2417-H2419 PolarHBondContact O-N 3.39Å |
| 2418 | K | 33.5 | Very low | 36.6 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 52% | 0.522 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -4.7 | 169 | -89.2 | -177.5 | 168.7 | -177 | 0 | 114.6 | W2414 E2416 | W2414-K2418 HydrophobicContact CE3-CD 4.2Å; W2414-K2418 VanDerWaalsContact CZ3-CE 3.48Å; W2414-K2418 VanDerWaalsContact O-CB 3.26Å; W2414-K2418 WeakPolarHBondContact O-CB 2.99Å; W2414-K2418 VanDerWaalsContact O-CG 3.24Å; W2414-K2418 WeakPolarHBondContact O-CG 3.24Å; W2414-K2418 PolarHBondContact O-N 3.32Å; E2416-K2418 PolarHBondContact O-N 2.77Å; E2416-K2418 VanDerWaalsContact O-N 3.16Å |
| 2419 | H | 29.7 | Very low | 34.3 | Very low | 164 Ų | 164 | 121.3 Ų | 121.3 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 4.9 | 177 | -74.4 | -53.9 | 0 | 0 | 0 | 115.1 | E2416 N2417 | E2416-H2419 PolarHBondContact O-N 2.8Å; N2417-H2419 PolarHBondContact O-N 3.39Å |
| 2420 | Q | 22.8 | Very low | 31.9 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -92.2 | 93.6 | 155 | -71.2 | -161.1 | 18.4 | 0 | 0 | 109.6 | ||||
| 2421 | V | 25.1 | Very low | 29.9 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 48% | 0.479 | 65% | 0.649 | S | S | . | * | trans | -138.4 | 92.1 | -171 | 158.1 | 0 | 0 | 0 | 0 | 105.5 | V2534 | V2421-V2534 HydrophobicContact CB-CG1 4.33Å; V2421-V2534 HydrophobicContact CB-CG2 4.36Å; V2421-V2534 HydrophobicContact CG1-CB 4.11Å; V2421-V2534 HydrophobicContact CG1-CG1 3.35Å; V2421-V2534 HydrophobicContact CG1-CG2 3.77Å | ||
| 2422 | Q | 21.5 | Very low | 28.2 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -107.6 | 140.8 | 173.7 | -83.9 | -174.9 | -23.8 | 0 | 0 | 112 | V2534 | Q2422-V2534 VanDerWaalsContact O-CB 3.24Å; Q2422-V2534 WeakPolarHBondContact O-CB 3.41Å; Q2422-V2534 WeakPolarHBondContact O-CG1 3.25Å; Q2422-V2534 WeakPolarHBondContact O-CG2 3.06Å | ||
| 2423 | S | 18.2 | Very low | 26.5 | Very low | 53 Ų | 53 | 128.6 Ų | 128.6 | 37% | 0.371 | 67% | 0.669 | S | S | . | * | trans | -108.9 | 149.9 | 176.3 | 38.5 | 0 | 0 | 0 | 0 | 110.4 | V2534 S2535 | S2423-V2534 VanDerWaalsContact N-CG1 3.34Å; S2423-S2535 WeakPolarHBondContact CB-O 3.11Å; S2423-S2535 PolarHBondContact OG-O 2.78Å | ||
| 2424 | P | 21.7 | Very low | 25.1 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | -140.2 | -176.7 | 96.5 | 37 | -21.3 | 0 | 0 | 0 | 115.3 | |||||
| 2425 | S | 18.7 | Very low | 24.4 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | -67.3 | 174.9 | -164.9 | 52 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2426 | S | 19.5 | Very low | 23.7 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | trans | 84.1 | 96.8 | 138.5 | 51.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2427 | S | 19.7 | Very low | 23.1 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | 68.6 | 144.6 | 120.1 | 66.2 | 0 | 0 | 0 | 0 | 124 | |||||
| 2428 | L | 19.8 | Very low | 22.4 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | 73 | 156.8 | 163.3 | -61 | 156.2 | 0 | 0 | 0 | 117.1 | ||||
| 2429 | S | 19.5 | Very low | 22 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | 179.2 | 128.1 | -52.2 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 2430 | L | 21.4 | Very low | 21.7 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | 62.8 | 154.8 | 174.3 | -66.3 | 164.1 | 0 | 0 | 0 | 114.3 | ||||
| 2431 | P | 25.1 | Very low | 21.7 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | cis | -112.2 | 178.3 | 39 | 10.7 | 14.9 | 0 | 0 | 0 | 113.8 | ||||
| 2432 | R | 19 | Very low | 21.7 | Very low | 215 Ų | 215 | 130.3 Ų | 130.3 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | cis | 97.5 | 127.6 | 17.1 | -151.9 | -146.8 | 177.7 | 148.5 | 4.8 | 115.4 | ||||
| 2433 | N | 21.6 | Very low | 21.6 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | trans | 68.4 | 156.6 | 173.4 | -61 | 4 | 0 | 0 | 0 | 116.5 | ||||
| 2434 | A | 21.8 | Very low | 21.7 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | cis | -168.6 | 153.5 | -28.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2435 | E | 21.8 | Very low | 21.6 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | trans | 52.1 | 140.5 | 150.2 | -66.9 | 169.6 | 145 | 0 | 0 | 123.7 | ||||
| 2436 | T | 22.5 | Very low | 21.6 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 47.8 | 113.7 | 157.9 | 52.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2437 | V | 24.4 | Very low | 21.7 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 86.9 | 121 | 53.8 | 173.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2438 | D | 23.9 | Very low | 21.8 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 60.2 | 143.1 | 173.7 | -51.2 | -23.2 | 0 | 0 | 0 | 117.3 | ||||
| 2439 | D | 24.1 | Very low | 21.8 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -149.9 | 178.4 | 11.7 | -141.2 | -27.3 | 0 | 0 | 0 | 113.5 | ||||
| 2440 | D | 24.3 | Very low | 21.8 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | 57.8 | 87.6 | 160.5 | -99.3 | -29.9 | 0 | 0 | 0 | 122.2 | ||||
| 2441 | V | 22.1 | Very low | 21.8 | Very low | 109 Ų | 109 | 147 Ų | 147 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | 37 | 139.3 | 104.3 | 179.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 2442 | K | 24.5 | Very low | 21.7 | Very low | 183 Ų | 183 | 148 Ų | 148 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 75.4 | 92.3 | 166 | -75.5 | 156.9 | -168.1 | 161.9 | 0 | 119 | ||||
| 2443 | S | 20.5 | Very low | 22 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | 37.3 | 133.3 | 120.7 | 63.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 2444 | W | 19.3 | Very low | 22 | Very low | 253 Ų | 253 | 143.5 Ų | 143.5 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | -160.5 | -175.6 | 120 | -116.5 | 45.2 | 0 | 0 | 0 | 113.2 | |||||
| 2445 | N | 20.1 | Very low | 21.9 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | -108 | 148.1 | -158.7 | -96.1 | -36.8 | 0 | 0 | 0 | 115 | ||||
| 2446 | Y | 18.8 | Very low | 21.8 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 68.9 | 163.3 | 143.6 | -90.6 | -111.8 | 0 | 0 | 0 | 121.8 | ||||
| 2447 | Q | 22.4 | Very low | 21.7 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | 82.4 | 118.5 | 156.5 | -79.8 | -173.1 | 19.8 | 0 | 0 | 122.3 | ||||
| 2448 | N | 21.2 | Very low | 21.6 | Very low | 124 Ų | 124 | 146 Ų | 146 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | 94 | 136.3 | 121 | -72.7 | -12.5 | 0 | 0 | 0 | 124.6 | |||||
| 2449 | L | 20.2 | Very low | 21.4 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | 77.4 | 118.4 | 142.3 | -69 | 164.2 | 0 | 0 | 0 | 123.3 | ||||
| 2450 | S | 19.3 | Very low | 21.3 | Very low | 91 Ų | 91 | 148.3 Ų | 148.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -38.7 | 150.4 | 155.9 | 52.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2451 | Q | 20.5 | Very low | 21 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | -176.2 | 178.7 | 111.2 | -99.8 | -178.5 | 4.4 | 0 | 0 | 113.4 | |||||
| 2452 | V | 22.7 | Very low | 20.8 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -148.7 | 141.1 | -167.8 | 171.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 2453 | P | 26.3 | Very low | 20.5 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -143.4 | 141.2 | 151.3 | 21.5 | 1.7 | 0 | 0 | 0 | 118.8 | ||||
| 2454 | L | 21.1 | Very low | 20.5 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 75.9 | 112.7 | 133.8 | -60.2 | 171.1 | 0 | 0 | 0 | 126 | ||||
| 2455 | R | 19.9 | Very low | 20.4 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | 76.4 | 131.6 | 118.2 | -79 | -175.5 | 171.9 | -134 | 6.7 | 126.7 | |||||
| 2456 | Q | 20.7 | Very low | 20.5 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | trans | 85.7 | 99.4 | 131.1 | -77.4 | -174.2 | -95.4 | 0 | 0 | 124.9 | ||||
| 2457 | S | 20.2 | Very low | 20.6 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | 51.5 | 144.3 | 114.8 | 64.2 | 0 | 0 | 0 | 0 | 125 | |||||
| 2458 | S | 21.4 | Very low | 20.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | 102.5 | 149.9 | 153.8 | -48.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2459 | E | 20.6 | Very low | 20.6 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -108.2 | -175.5 | -175.3 | -64.6 | 172 | 114.8 | 0 | 0 | 111.9 | ||||
| 2460 | D | 20.2 | Very low | 20.7 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | 83.4 | 139.2 | 165.5 | -79.7 | -10 | 0 | 0 | 0 | 122.9 | ||||
| 2461 | N | 19.3 | Very low | 20.7 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | 71.5 | 101.2 | 149.6 | -67.2 | -41.4 | 0 | 0 | 0 | 124.1 | ||||
| 2462 | I | 17.7 | Very low | 20.7 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | 60.7 | 117.3 | 115 | -62 | 168.8 | 0 | 0 | 0 | 120.9 | |||||
| 2463 | S | 18.7 | Very low | 20.6 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 83.9 | 160.7 | 146.7 | 79.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 2464 | Q | 19.1 | Very low | 20.5 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 70.1 | 97.9 | 166.5 | -63.4 | -173.2 | 28.9 | 0 | 0 | 116.7 | ||||
| 2465 | T | 18.9 | Very low | 20.7 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | 88.7 | 140.7 | 81.7 | 49.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 2466 | S | 21.2 | Very low | 20.7 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 81.5 | 122.8 | 156 | 73.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 2467 | T | 21.6 | Very low | 20.7 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | trans | 58.1 | 121.2 | 136.7 | 50.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 2468 | S | 21.8 | Very low | 20.7 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | 84.8 | 122.5 | 126.1 | 71.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 2469 | Q | 21.6 | Very low | 20.7 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 75.6 | 150.2 | 132.5 | -71 | -86.8 | -9.9 | 0 | 0 | 121.3 | ||||
| 2470 | N | 21.9 | Very low | 20.8 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | 73.8 | 108 | 159.8 | -74.9 | -53.8 | 0 | 0 | 0 | 122.7 | ||||
| 2471 | R | 18.8 | Very low | 20.9 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | 67 | 122 | 119.5 | -70.8 | -179.4 | -175.9 | -153.9 | -1.4 | 121.6 | |||||
| 2472 | Y | 20.2 | Very low | 21 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 89% | 0.886 | 74% | 0.737 | S | S | * | * | trans | 64.1 | 103 | 150.9 | -70.6 | -70.9 | 0 | 0 | 0 | 120.7 | ||||
| 2473 | G | 20.4 | Very low | 21.1 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | 118.3 | 98.6 | 107.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 2474 | R | 24.2 | Very low | 21.2 | Very low | 246 Ų | 246 | 146.4 Ų | 146.4 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | trans | 62.5 | -177.2 | 156.9 | -101.2 | -176.1 | 179.6 | -152.1 | 2 | 115.2 | ||||
| 2475 | P | 26.7 | Very low | 21.3 | Very low | 102 Ų | 102 | 146 Ų | 146 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | cis | -123.7 | -178.1 | -34.8 | 36 | -20.8 | 0 | 0 | 0 | 112.8 | ||||
| 2476 | R | 20.2 | Very low | 21.4 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 28.3 | 131.8 | 153.2 | -70.5 | 179.3 | 172.2 | 158.8 | -5 | 119.8 | ||||
| 2477 | F | 20.4 | Very low | 21.4 | Very low | 171 Ų | 171 | 146 Ų | 146 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | -172.4 | -179.6 | 92.8 | -107.1 | -69.2 | 0 | 0 | 0 | 113.6 | |||||
| 2478 | D | 20.7 | Very low | 21.3 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | -68.4 | 169.8 | -163.8 | -52 | -35.2 | 0 | 0 | 0 | 117.3 | ||||
| 2479 | N | 21.4 | Very low | 21.2 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | 95.9 | 141.5 | 129 | -95.5 | -28.6 | 0 | 0 | 0 | 123.4 | |||||
| 2480 | H | 22.5 | Very low | 21.2 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | trans | 60.9 | 98.5 | 146.2 | -66.4 | -35.1 | 0 | 0 | 0 | 121.9 | ||||
| 2481 | N | 21.1 | Very low | 21.1 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | 62.7 | 131.7 | 108.3 | -70.3 | -14.6 | 0 | 0 | 0 | 121.2 | |||||
| 2482 | N | 21.1 | Very low | 21.4 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | 81.4 | 105 | 144.3 | -68.5 | -30.7 | 0 | 0 | 0 | 120.1 | ||||
| 2483 | K | 20.1 | Very low | 21.5 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | 82.1 | 116.3 | 121.1 | -69.8 | -171.3 | 173.7 | -168.4 | 0 | 120 | |||||
| 2484 | T | 22.2 | Very low | 21.6 | Very low | 108 Ų | 108 | 145 Ų | 145 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | 70.3 | 123.9 | 130.2 | 57.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2485 | E | 20.9 | Very low | 21.5 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | 103.6 | 136 | 123.4 | -84.8 | 168.8 | -157.3 | 0 | 0 | 123.5 | |||||
| 2486 | I | 20.9 | Very low | 21.4 | Very low | 134 Ų | 134 | 144 Ų | 144 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | 81.9 | 83 | 139.5 | -65.9 | 164.8 | 0 | 0 | 0 | 121.2 | ||||
| 2487 | S | 20.4 | Very low | 22 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | 82.7 | 158.7 | 116.5 | 86.3 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 2488 | K | 19.6 | Very low | 22 | Very low | 186 Ų | 186 | 138 Ų | 138 | 81% | 0.809 | 72% | 0.72 | S | S | * | * | trans | 89 | 110.8 | 147.6 | -75.9 | 173.2 | -178.6 | 177.1 | 0 | 123.6 | ||||
| 2489 | S | 19.4 | Very low | 22.1 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | 93.1 | 164.1 | 117.4 | 75.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 2490 | I | 21.7 | Very low | 22 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | 102.4 | 90.5 | 166.6 | -55.5 | 167.2 | 0 | 0 | 0 | 117.9 | ||||
| 2491 | S | 20.4 | Very low | 21.9 | Very low | 94 Ų | 94 | 144.5 Ų | 144.5 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | trans | 68.6 | 171.9 | 136.2 | -54.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2492 | Y | 24.8 | Very low | 22 | Very low | 222 Ų | 222 | 146.5 Ų | 146.5 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | cis | -132.5 | -105 | 2.7 | -123.5 | -45.6 | 0 | 0 | 0 | 115.2 | ||||
| 2493 | S | 22.7 | Very low | 22 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -160.1 | -171.9 | -166.6 | 67 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2494 | L | 22.6 | Very low | 23.4 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | -159.6 | 161 | 8.2 | -137.2 | 167.7 | 0 | 0 | 0 | 110.5 | ||||
| 2495 | Q | 21.3 | Very low | 23.4 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 70.3 | 176.4 | 152.2 | -112.8 | 167.3 | -12.7 | 0 | 0 | 123.6 | ||||
| 2496 | H | 26.2 | Very low | 23.4 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -153.9 | -164.5 | -154.1 | -48.9 | -45.4 | 0 | 0 | 0 | 109.1 | ||||
| 2497 | P | 32 | Very low | 23.5 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -147.9 | -169.6 | 3 | 46.9 | -26.1 | 0 | 0 | 0 | 118.6 | ||||
| 2498 | I | 21.1 | Very low | 24 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | 75.2 | 113.3 | 149.9 | -74.6 | 162.5 | 0 | 0 | 0 | 123.2 | ||||
| 2499 | Q | 21.2 | Very low | 24.4 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | 38.2 | 129.5 | 140.6 | -53.8 | 176.5 | -6.9 | 0 | 0 | 123.6 | ||||
| 2500 | S | 20.6 | Very low | 24.6 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | 170.7 | -158.5 | 103.5 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 2501 | R | 20.7 | Very low | 24.8 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -95 | 153 | -155.3 | -65.5 | 173.1 | 169.8 | 172.5 | -4.4 | 116 | ||||
| 2502 | L | 23.1 | Very low | 25.3 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | 33.1 | 114.5 | 140 | -65 | 165.5 | 0 | 0 | 0 | 119.8 | ||||
| 2503 | G | 21.2 | Very low | 25.3 | Very low | 75 Ų | 75 | 150.2 Ų | 150.2 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -178.5 | 139.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2504 | P | 48.2 | Very low | 25.3 | Very low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -107.5 | 172.1 | -176.3 | 39.6 | -34.3 | 0 | 0 | 0 | 115.1 | ||||
| 2505 | Q | 22.3 | Very low | 25.4 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 103.8 | 139.4 | 163.3 | -62.2 | -168.4 | -10.6 | 0 | 0 | 119 | ||||
| 2506 | I | 20.6 | Very low | 25.5 | Very low | 137 Ų | 137 | 155 Ų | 155 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | 74.8 | 105.9 | 150.2 | -69.4 | 159.4 | 0 | 0 | 0 | 119.3 | ||||
| 2507 | I | 23.9 | Very low | 25.1 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | trans | 65.6 | 137.9 | 132.7 | -59 | 179.4 | 0 | 0 | 0 | 120.8 | ||||
| 2508 | E | 29.7 | Very low | 24.5 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 58.3 | 95.3 | 161.7 | -76.4 | 155 | -152.4 | 0 | 0 | 120.9 | ||||
| 2509 | S | 28.1 | Very low | 24.5 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | 35.9 | 112.9 | 125.4 | 58.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 2510 | D | 25.1 | Very low | 24.5 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | -161.6 | 178 | 117.1 | -139.4 | -22.8 | 0 | 0 | 0 | 113.3 | |||||
| 2511 | L | 24.6 | Very low | 24.5 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | 91.2 | 143.3 | 161.8 | -58.7 | -178.5 | 0 | 0 | 0 | 122 | ||||
| 2512 | N | 30.3 | Very low | 24.5 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -106 | 137 | 171.1 | -67.1 | -93.1 | 0 | 0 | 0 | 111 | ||||
| 2513 | R | 24.8 | Very low | 24.3 | Very low | 245 Ų | 245 | 140.3 Ų | 140.3 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -177.6 | 165.2 | 134.7 | -113.1 | 178.8 | 168.3 | -169.4 | -3.8 | 114.6 | ||||
| 2514 | L | 23.2 | Very low | 24.3 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | 67.2 | 179.5 | 172.9 | -68.7 | 173.9 | 0 | 0 | 0 | 115.9 | ||||
| 2515 | Q | 26.1 | Very low | 23 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -151 | 158.5 | -143 | -160.4 | -176.9 | 15.6 | 0 | 0 | 111.2 | ||||
| 2516 | I | 21.6 | Very low | 22.9 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 83.6 | 148.8 | 172 | -48.6 | 172.9 | 0 | 0 | 0 | 114.3 | ||||
| 2517 | I | 19.5 | Very low | 22.9 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 71.7 | 133 | -172.5 | -46.3 | -177.2 | 0 | 0 | 0 | 112.8 | ||||
| 2518 | S | 18.7 | Very low | 22.7 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | 158.9 | 130.6 | -28.3 | -89.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 2519 | G | 21.1 | Very low | 22.3 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 139.4 | 129 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2520 | T | 20.1 | Very low | 22 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | cis | 88.4 | 51.8 | 24.3 | 81 | 0 | 0 | 0 | 0 | 118 | ||||
| 2521 | T | 20.6 | Very low | 21.8 | Very low | 150 Ų | 150 | 143 Ų | 143 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -161.6 | 155 | 149 | 42.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 2522 | G | 20.8 | Very low | 21.7 | Very low | 63 Ų | 63 | 145.5 Ų | 145.5 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | 161.4 | 132.7 | -6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2523 | S | 19.7 | Very low | 21.2 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 67.9 | 147.7 | 168.6 | 72.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2524 | S | 21.3 | Very low | 21.2 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 91.4 | 112.6 | 146.4 | -66.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 2525 | V | 21.2 | Very low | 21.1 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | 97.4 | 128 | 119.8 | 168.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 2526 | E | 20.4 | Very low | 21 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | trans | 53 | 89 | 152.6 | -75.3 | 6 | -97 | 0 | 0 | 125.1 | ||||
| 2527 | S | 19.4 | Very low | 21.3 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | 80.8 | 170.4 | 101 | 84.6 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 2528 | I | 21 | Very low | 21.5 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | trans | 81.4 | 85.1 | 158.3 | -65.2 | 164.1 | 0 | 0 | 0 | 119 | ||||
| 2529 | R | 20.2 | Very low | 21.9 | Very low | 216 Ų | 216 | 131.4 Ų | 131.4 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | 73.9 | 115.8 | 113.5 | -164.6 | -159 | -69.7 | 175.5 | -2.5 | 119.9 | |||||
| 2530 | V | 21.8 | Very low | 22.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | -175.4 | 135 | 108.2 | 153.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 2531 | K | 21.3 | Very low | 22.5 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -10.1 | 123.8 | 166.4 | -56.1 | 169.5 | -176.9 | 173.5 | 0 | 122.9 | ||||
| 2532 | K | 21.6 | Very low | 22.7 | Very low | 212 Ų | 212 | 137.5 Ų | 137.5 | 92% | 0.922 | 74% | 0.737 | S | S | * | * | trans | 5.4 | 136 | 135.5 | -67.7 | 176.8 | 172.9 | 175 | 0 | 121 | ||||
| 2533 | S | 21.5 | Very low | 22.8 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -154.8 | 97.8 | 148.8 | 55.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 2534 | V | 23.2 | Very low | 22.7 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 40% | 0.4 | 74% | 0.741 | S | S | . | * | trans | 80.1 | 167.6 | 134.5 | -164.7 | 0 | 0 | 0 | 0 | 121.7 | V2421 Q2422 S2423 | V2421-V2534 HydrophobicContact CB-CG1 4.33Å; V2421-V2534 HydrophobicContact CB-CG2 4.36Å; V2421-V2534 HydrophobicContact CG1-CB 4.11Å; V2421-V2534 HydrophobicContact CG1-CG1 3.35Å; V2421-V2534 HydrophobicContact CG1-CG2 3.77Å; Q2422-V2534 VanDerWaalsContact O-CB 3.24Å; Q2422-V2534 WeakPolarHBondContact O-CB 3.41Å; Q2422-V2534 WeakPolarHBondContact O-CG1 3.25Å; Q2422-V2534 WeakPolarHBondContact O-CG2 3.06Å; S2423-V2534 VanDerWaalsContact N-CG1 3.34Å | ||
| 2535 | S | 22.2 | Very low | 22.7 | Very low | 61 Ų | 61 | 142.5 Ų | 142.5 | 43% | 0.427 | 74% | 0.741 | S | S | . | * | trans | -106.2 | -175.5 | -153.8 | 53.4 | 0 | 0 | 0 | 0 | 116.4 | S2423 | S2423-S2535 WeakPolarHBondContact CB-O 3.11Å; S2423-S2535 PolarHBondContact OG-O 2.78Å | ||
| 2536 | F | 23.4 | Very low | 22.6 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | trans | -104.7 | 153.2 | 156.8 | -85.8 | -94.6 | 0 | 0 | 0 | 111.5 | ||||
| 2537 | D | 27.2 | Very low | 22.6 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -112.5 | -171.7 | -171.6 | -155.4 | -1.8 | 0 | 0 | 0 | 113.5 | ||||
| 2538 | K | 25.7 | Very low | 22.8 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | -101.8 | 162.5 | -167.6 | -57.2 | 174 | -160.5 | 71.6 | 0 | 113.5 | ||||
| 2539 | N | 26.2 | Very low | 22.9 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | 82.5 | 107.3 | 168.1 | -37.6 | -60.4 | 0 | 0 | 0 | 115.2 | ||||
| 2540 | L | 29.7 | Very low | 22.9 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -143.2 | 167.6 | 133.6 | -110.7 | 171.5 | 0 | 0 | 0 | 108.5 | ||||
| 2541 | E | 24.9 | Very low | 22.9 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -113.3 | -179.3 | -158.8 | -61.7 | -179.3 | 128.5 | 0 | 0 | 113 | ||||
| 2542 | T | 22.9 | Very low | 23 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -40.3 | 138.2 | -179.7 | 43.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 2543 | I | 22.9 | Very low | 22.9 | Very low | 177 Ų | 177 | 137 Ų | 137 | 91% | 0.908 | 75% | 0.753 | S | S | * | * | trans | -156.4 | 167.7 | 141.4 | -104.4 | 152.6 | 0 | 0 | 0 | 109.6 | ||||
| 2544 | S | 19.5 | Very low | 22.9 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -96.5 | 152.4 | -155.9 | 49.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2545 | V | 19.4 | Very low | 22.7 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 17.5 | 113.5 | 136.7 | -160.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2546 | Y | 21.1 | Very low | 22.6 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | -170 | 157.2 | 103.3 | -123.5 | -84.1 | 0 | 0 | 0 | 112.6 | |||||
| 2547 | S | 19.4 | Very low | 22.5 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 156.7 | 164.5 | -62.7 | 0 | 0 | 0 | 0 | 110 | P2549 | S2547-P2549 WeakPolarHBondContact O-CD 3.47Š|
| 2548 | P | 24.1 | Very low | 22.1 | Very low | 129 Ų | 129 | 145 Ų | 145 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 126.7 | -164.1 | 28.6 | -35.2 | 0 | 0 | 0 | 113.8 | ||
| 2549 | P | 21.9 | Very low | 21.9 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 139.9 | 160.6 | -3.5 | 23.6 | 0 | 0 | 0 | 110.4 | S2547 | S2547-P2549 WeakPolarHBondContact O-CD 3.47Š|
| 2550 | T | 20.3 | Very low | 21.5 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 132.5 | 171.9 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | P2552 | T2550-P2552 WeakPolarHBondContact O-CD 3.26Š|
| 2551 | T | 23.5 | Very low | 21.1 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -94.8 | 110.5 | 163.7 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2552 | P | 22 | Very low | 20.9 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -90.5 | 163 | 172.2 | 37.8 | -35 | 0 | 0 | 0 | 112 | T2550 | T2550-P2552 WeakPolarHBondContact O-CD 3.26Š| ||
| 2553 | H | 20.3 | Very low | 20.9 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | 63.6 | 129.3 | 177.5 | -62.2 | -83 | 0 | 0 | 0 | 116.9 | ||||
| 2554 | G | 21.5 | Very low | 20.7 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 168.2 | 33.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F2556 | G2554-F2556 PolarHBondContact O-N 3.41Š| ||
| 2555 | S | 19.7 | Very low | 20.8 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 110.3 | 176.6 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2556 | F | 19.5 | Very low | 20.8 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | trans | -164.8 | 156.9 | 133.4 | -118.9 | -83.7 | 0 | 0 | 0 | 109.8 | G2554 | G2554-F2556 PolarHBondContact O-N 3.41Š| ||
| 2557 | I | 20.4 | Very low | 20.9 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -105.8 | 122 | 177.4 | -64 | 167.6 | 0 | 0 | 0 | 107.3 | ||||
| 2558 | E | 19.5 | Very low | 21.4 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -166.6 | 141.3 | 138.9 | -112.3 | 164.5 | -157.8 | 0 | 0 | 114.9 | ||||
| 2559 | H | 20.7 | Very low | 21.3 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | trans | 3.1 | 157.5 | 156.5 | -87.1 | -112 | 0 | 0 | 0 | 126.2 | ||||
| 2560 | E | 19.1 | Very low | 21.2 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 73.7 | 93.8 | 146.8 | -73.2 | 177.6 | -177.2 | 0 | 0 | 122.2 | ||||
| 2561 | T | 20.8 | Very low | 21.3 | Very low | 119 Ų | 119 | 148 Ų | 148 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | 22.3 | 125 | 116.8 | 57.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2562 | M | 19.7 | Very low | 21.1 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | 173.4 | 173.6 | 97 | -87.5 | -147.1 | 82.9 | 0 | 0 | 113.6 | |||||
| 2563 | H | 23.2 | Very low | 21.2 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | 83.3 | 141.9 | 162.2 | -74.6 | -76.5 | 0 | 0 | 0 | 121.9 | ||||
| 2564 | K | 19.3 | Very low | 21.5 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -109.1 | 150.4 | -176.6 | -48.6 | 158.6 | 179.2 | 170.3 | 0 | 108.6 | ||||
| 2565 | S | 21.8 | Very low | 21.7 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | 179.3 | 141.2 | 125.3 | 50 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2566 | Q | 20 | Very low | 22.5 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 15.2 | 122.2 | 150.7 | -74.7 | 141.5 | -56.2 | 0 | 0 | 123.3 | ||||
| 2567 | M | 21.9 | Very low | 22.6 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | 52.2 | 158.4 | 105.8 | -65.6 | -65.6 | 172.4 | 0 | 0 | 121.8 | |||||
| 2568 | P | 30.6 | Very low | 22.6 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -135.9 | 175.2 | -9 | 32 | -9.9 | 0 | 0 | 0 | 117.3 | ||||
| 2569 | N | 21.1 | Very low | 22.9 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -5 | 144.2 | 157 | -57.3 | -26.8 | 0 | 0 | 0 | 122.6 | ||||
| 2570 | I | 20.8 | Very low | 22.9 | Very low | 171 Ų | 171 | 142 Ų | 142 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -170.3 | 167.8 | 123.2 | -100.4 | 159.4 | 0 | 0 | 0 | 111.5 | |||||
| 2571 | S | 21.6 | Very low | 23.1 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -131.3 | 171.4 | -165.1 | -35.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2572 | L | 20.7 | Very low | 23.2 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 135.6 | 123.9 | 139.1 | -69.2 | 169.7 | 0 | 0 | 0 | 119.9 | ||||
| 2573 | T | 22.5 | Very low | 23.3 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | trans | 61.2 | 100 | 133.3 | 62.7 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 2574 | S | 27.6 | Very low | 23.2 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | 49.3 | 129.7 | 113.6 | 70.1 | 0 | 0 | 0 | 0 | 126.8 | |||||
| 2575 | G | 24.2 | Very low | 23.3 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 141.4 | 172.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2576 | P | 37.4 | Very low | 23.3 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | cis | -144.4 | -177.5 | -41.8 | 43.9 | -27.2 | 0 | 0 | 0 | 116.1 | ||||
| 2577 | K | 21.3 | Very low | 23.3 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 81.5 | 128.6 | 154.9 | -66.6 | 178.2 | -178.4 | 177.9 | 0 | 124.4 | ||||
| 2578 | N | 21.7 | Very low | 23.2 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | 35.8 | 131.5 | 134.3 | -54.6 | 19.2 | 0 | 0 | 0 | 124.7 | ||||
| 2579 | S | 24.9 | Very low | 22.7 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | -178.7 | 175.4 | 113.7 | 41 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2580 | L | 21.1 | Very low | 22.7 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -121 | 159.5 | -179.3 | -54.2 | 86 | 0 | 0 | 0 | 110.7 | ||||
| 2581 | N | 23.4 | Very low | 22.7 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 178.5 | 144.1 | 120.3 | -96.3 | -9 | 0 | 0 | 0 | 117.8 | |||||
| 2582 | S | 21.7 | Very low | 22.7 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | 50.6 | 114.6 | 135.6 | 75.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 2583 | S | 23 | Very low | 22.7 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 52% | 0.524 | 74% | 0.736 | S | S | . | * | 88.6 | 149.8 | 106.7 | 76.6 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 2584 | S | 21.4 | Very low | 22.9 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 46% | 0.462 | 74% | 0.74 | S | S | . | * | trans | 85.9 | 106.9 | 134.2 | 62.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 2585 | V | 21.2 | Very low | 23 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 61% | 0.612 | 74% | 0.737 | S | S | * | * | 93.6 | 134.4 | 109.4 | 165.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 2586 | N | 20.9 | Very low | 23.4 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 61.6 | 108.3 | 153.7 | -73 | -5.8 | 0 | 0 | 0 | 124.7 | ||||
| 2587 | S | 20.2 | Very low | 22.6 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | 62.7 | 156 | 103.8 | 93.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 2588 | S | 20.3 | Very low | 22.6 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | 83.9 | 104.8 | 149 | -55.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2589 | Y | 20.4 | Very low | 22.6 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | 62 | 138.4 | 126.6 | -78.9 | -75.7 | 0 | 0 | 0 | 123.7 | |||||
| 2590 | K | 21.5 | Very low | 22.4 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 72.1 | 138.8 | 158 | -65.9 | 164.5 | -175.2 | 177 | 0 | 114.6 | ||||
| 2591 | K | 20.6 | Very low | 22.5 | Very low | 190 Ų | 190 | 129.7 Ų | 129.7 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | cis | 85.5 | 139.2 | 39.4 | -163.8 | 177.6 | -175.1 | 179.2 | 0 | 111.4 | ||||
| 2592 | S | 21.5 | Very low | 22.5 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 66 | 127.7 | -159.6 | 9.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2593 | L | 19.4 | Very low | 22.6 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | 77.9 | 94.4 | 51.8 | -78.5 | 163.9 | 0 | 0 | 0 | 114 | |||||
| 2594 | S | 27.4 | Very low | 22.6 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | 62.4 | 149.6 | 163.9 | 62 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2595 | P | 30 | Very low | 22.7 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | -143.7 | -138 | 58.5 | 44.8 | -21.3 | 0 | 0 | 0 | 112.8 | |||||
| 2596 | P | 32.1 | Very low | 22.7 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -128.7 | -167.8 | -131.1 | 33.5 | -7 | 0 | 0 | 0 | 116.7 | ||||
| 2597 | I | 20.9 | Very low | 22.8 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | -58.6 | 147.6 | -177.1 | -66.2 | 150.8 | 0 | 0 | 0 | 115.3 | ||||
| 2598 | G | 22.5 | Very low | 22.8 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | 177.4 | 108.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2599 | F | 21 | Very low | 22.9 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | 9.2 | 160.6 | 146.8 | -62.6 | -92.3 | 0 | 0 | 0 | 122.3 | ||||
| 2600 | E | 20.3 | Very low | 23 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | cis | 178.2 | -176.8 | -20.6 | -167.8 | 173.7 | -132.1 | 0 | 0 | 107.4 | ||||
| 2601 | I | 24 | Very low | 23.1 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | 75.3 | 141.9 | 160.4 | -59.6 | 167.7 | 0 | 0 | 0 | 116.9 | ||||
| 2602 | D | 22.9 | Very low | 23.1 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | cis | -168.1 | -179 | -36.1 | -154.9 | -10.5 | 0 | 0 | 0 | 108.1 | ||||
| 2603 | D | 23.8 | Very low | 23.1 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | trans | 70.2 | 153.3 | 154.4 | -81.6 | 21.5 | 0 | 0 | 0 | 121.8 | ||||
| 2604 | K | 22.2 | Very low | 23.1 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 67% | 0.665 | 72% | 0.72 | S | S | * | * | cis | -167 | 166.3 | -32.9 | -119.1 | -174.3 | -158.9 | 84.8 | 0 | 110.1 | ||||
| 2605 | T | 23.4 | Very low | 22.8 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | trans | 59.8 | 108.3 | 150.5 | 50.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 2606 | N | 21.1 | Very low | 22.3 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | 83.3 | 158.4 | 102.8 | -147.8 | 31.1 | 0 | 0 | 0 | 124.1 | |||||
| 2607 | D | 23.7 | Very low | 21.8 | Very low | 108 Ų | 108 | 138 Ų | 138 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | trans | 71.6 | 154.3 | 159.1 | -70.9 | -39.2 | 0 | 0 | 0 | 121.2 | ||||
| 2608 | K | 21.2 | Very low | 21.9 | Very low | 171 Ų | 171 | 137 Ų | 137 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | cis | -169.2 | 166.5 | -38 | -120.1 | -175.4 | -158.7 | 107.6 | 0 | 111 | ||||
| 2609 | S | 21.6 | Very low | 21.8 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | 88.8 | 122.8 | 145.8 | 78.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 2610 | H | 23.2 | Very low | 21.9 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | 80.4 | 120.9 | 123.9 | -71.2 | -28.2 | 0 | 0 | 0 | 127.9 | |||||
| 2611 | Q | 22.3 | Very low | 22.1 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | 72.6 | 162.6 | 131 | -61.4 | 178.8 | 28.6 | 0 | 0 | 121.9 | ||||
| 2612 | T | 21.4 | Very low | 22.3 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | cis | -160.5 | 163.5 | -33.7 | 41.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2613 | N | 21 | Very low | 22.2 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | 70.6 | 127.7 | 140.8 | -79.6 | -40 | 0 | 0 | 0 | 126.4 | ||||
| 2614 | R | 19.5 | Very low | 22.1 | Very low | 215 Ų | 215 | 141.8 Ų | 141.8 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | 66.1 | 119.6 | 126.8 | -69.8 | -176.9 | 177.7 | -164.5 | -1.2 | 125.9 | |||||
| 2615 | T | 20.2 | Very low | 22 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | 58.4 | 130.9 | 128.6 | 64.3 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 2616 | N | 21.3 | Very low | 22 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 75.4 | 121.7 | 138.5 | -75.2 | -10 | 0 | 0 | 0 | 124.5 | ||||
| 2617 | L | 20.6 | Very low | 22 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | 71.2 | 154.6 | 136.7 | -77 | 170.8 | 0 | 0 | 0 | 123.6 | ||||
| 2618 | N | 21.9 | Very low | 22.1 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 92.1 | 169.1 | 154.2 | -68.7 | -14.8 | 0 | 0 | 0 | 122 | ||||
| 2619 | H | 20.9 | Very low | 22.1 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -87 | 155.9 | -152.3 | -71.6 | -119.4 | 0 | 0 | 0 | 115 | ||||
| 2620 | S | 24.2 | Very low | 21.9 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | -173.7 | 166 | 117.8 | -83.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 2621 | V | 24.7 | Very low | 21.9 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -142.5 | 129.3 | 176 | 172.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 2622 | P | 28.1 | Very low | 22 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -118.3 | -166.6 | 141.9 | -5.6 | 27.2 | 0 | 0 | 0 | 113.7 | ||||
| 2623 | R | 20.2 | Very low | 22.1 | Very low | 223 Ų | 223 | 139.9 Ų | 139.9 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -153.5 | 158.3 | -149.8 | 179.4 | -172.4 | 176.6 | -165.4 | -1 | 111.4 | ||||
| 2624 | S | 21.6 | Very low | 22.3 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 169.4 | 163.8 | 45.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2625 | S | 20.9 | Very low | 23 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | 179.5 | 163.6 | -19.3 | 49 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 2626 | S | 22 | Very low | 23.4 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | cis | -175.6 | 176.5 | -16.2 | 50 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2627 | Q | 21.9 | Very low | 23.9 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | trans | 72.9 | 151.4 | 169.4 | -57.8 | -173.8 | -20.7 | 0 | 0 | 119.1 | ||||
| 2628 | G | 25.3 | Very low | 24.2 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | 172.6 | 162.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2629 | K | 20.9 | Very low | 24.6 | Very low | 196 Ų | 196 | 123 Ų | 123 | 85% | 0.852 | 72% | 0.716 | S | S | * | * | trans | -150.4 | 145.8 | -172 | -84.8 | -174.4 | 174.3 | -176.4 | 0 | 115.1 | ||||
| 2630 | L | 18.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | trans | 57.7 | 160.9 | 146.5 | -86.4 | 96.8 | 0 | 0 | 0 | 123.8 | ||||
| 2631 | A | 22.5 | Very low | 25.7 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | 100.5 | 164.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2632 | T | 24.7 | Very low | 26.2 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | trans | -134.9 | 162.5 | -153.9 | 56.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2633 | N | 23.4 | Very low | 27.2 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | 139 | 129.9 | 139.8 | -67.1 | -8.3 | 0 | 0 | 0 | 118.5 | ||||
| 2634 | N | 25.6 | Very low | 28.1 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | 63.5 | 173.9 | 141.7 | -62 | 1.1 | 0 | 0 | 0 | 124.3 | ||||
| 2635 | T | 33.5 | Very low | 28.9 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 49% | 0.491 | 70% | 0.695 | S | S | . | * | trans | -142.3 | 157.4 | -140.5 | 52.9 | 0 | 0 | 0 | 0 | 118.6 | T1800 | T1800-T2635 WeakPolarHBondContact O-CB 3.49Å; T1800-T2635 WeakPolarHBondContact O-CG2 3.12Å | ||
| 2636 | P | 28.2 | Very low | 30 | Very low | 79 Ų | 79 | 118.6 Ų | 118.6 | 51% | 0.513 | 69% | 0.694 | S | S | . | * | trans | -137.9 | 177.8 | 170.2 | 36.4 | -17 | 0 | 0 | 0 | 118.1 | T1800 | T1800-P2636 VanDerWaalsContact CB-O 3.24Å; T1800-P2636 WeakPolarHBondContact CB-O 3.38Å; T1800-P2636 WeakPolarHBondContact CG2-O 3.06Å; T1800-P2636 PolarHBondContact OG1-O 2.73Å | ||
| 2637 | P | 32.7 | Very low | 31.9 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 52% | 0.519 | 68% | 0.678 | S | S | . | * | trans | -125 | -172.7 | -157.3 | 45 | -34.1 | 0 | 0 | 0 | 121.3 | ||||
| 2638 | T | 27.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 114.5 Ų | 114.5 | 49% | 0.491 | 67% | 0.671 | S | S | . | * | trans | -107.8 | 170.2 | -158.4 | -44.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 2639 | V | 30.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | trans | -146.6 | 158 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2640 | T | 31.7 | Very low | 37.8 | Very low | 135 Ų | 135 | 111.9 Ų | 111.9 | 83% | 0.828 | 65% | 0.648 | S | S | * | * | trans | -124.4 | 168.4 | -179.3 | 47.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2641 | V | 36.2 | Very low | 40.1 | Very low | 142 Ų | 142 | 107.9 Ų | 107.9 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | trans | -138.9 | 151.1 | -172 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2642 | K | 34.8 | Very low | 42.6 | Very low | 198 Ų | 198 | 111 Ų | 111 | 86% | 0.861 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -102 | 153.3 | 177.6 | -77.4 | -177.8 | 176.9 | 176.5 | 0 | 113.9 | ||
| 2643 | P | 48.9 | Very low | 45 | Very low | 78 Ų | 78 | 113.7 Ų | 113.7 | 51% | 0.506 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 156.6 | -179.7 | 33.5 | -36.7 | 0 | 0 | 0 | 114.5 | ||
| 2644 | P | 38.5 | Very low | 47.6 | Very low | 85 Ų | 85 | 112 Ų | 112 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 164.5 | -178 | 36.2 | -36.7 | 0 | 0 | 0 | 114.7 | ||
| 2645 | P | 39.1 | Very low | 50.2 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 162.2 | 178 | -21.8 | 34.3 | 0 | 0 | 0 | 115.2 | A2647 | P2645-A2647 VanDerWaalsContact C-N 3.28Å; P2645-A2647 PolarHBondContact O-N 2.73Å |
| 2646 | N | 44.5 | Very low | 52.3 | Low | 134 Ų | 134 | 108.5 Ų | 108.5 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.8 | 21.8 | 172.7 | -62.5 | -4 | 0 | 0 | 0 | 116.8 | E2648 L2649 | N2646-E2648 PolarHBondContact O-N 3.26Å; N2646-L2649 PolarHBondContact O-N 3.37Å |
| 2647 | A | 62.2 | Low | 54.8 | Low | 41 Ų | 41 | 109.8 Ų | 109.8 | 34% | 0.339 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -57.2 | -18.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P2645 L2649 L2650 K2655 L2658 | P2645-A2647 VanDerWaalsContact C-N 3.28Å; P2645-A2647 PolarHBondContact O-N 2.73Å; A2647-L2649 VanDerWaalsContact C-N 3.34Å; A2647-L2649 PolarHBondContact O-N 2.7Å; A2647-L2650 PolarHBondContact O-N 2.78Å; A2647-K2655 WeakPolarHBondContact O-CE 3.31Å; A2647-L2658 HydrophobicContact CB-CD1 4.5Å |
| 2648 | E | 56.4 | Low | 56.8 | Low | 169 Ų | 169 | 108 Ų | 108 | 79% | 0.79 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -70.2 | -21.5 | 179.9 | -62.2 | -161.1 | 150.4 | 0 | 0 | 114.9 | N2646 K2655 | N2646-E2648 PolarHBondContact O-N 3.26Å; E2648-K2655 VanDerWaalsContact C-CE 3.49Å; E2648-K2655 WeakPolarHBondContact O-CE 3.49Å; E2648-K2655 PolarHBondContact O-NZ 3.14Å |
| 2649 | L | 61 | Low | 59.1 | Low | 157 Ų | 157 | 109.9 Ų | 109.9 | 82% | 0.822 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -88.6 | -3.7 | 179.9 | -67.2 | 174.6 | 0 | 0 | 0 | 113.6 | N2646 A2647 | N2646-L2649 PolarHBondContact O-N 3.37Å; A2647-L2649 VanDerWaalsContact C-N 3.34Å; A2647-L2649 PolarHBondContact O-N 2.7Å |
| 2650 | L | 72.9 | Confident | 61.1 | Low | 60 Ų | 60 | 105.9 Ų | 105.9 | 31% | 0.314 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -74.9 | 144.5 | -177.3 | -70 | 170.8 | 0 | 0 | 0 | 112.8 | A2647 E2654 K2655 L2658 | A2647-L2650 PolarHBondContact O-N 2.78Å; L2650-E2654 HydrophobicContact CB-CB 4.25Å; L2650-K2655 HydrophobicContact CB-CG 4.09Å; L2650-K2655 WeakPolarHBondContact O-CE 3.39Å; L2650-K2655 WeakPolarHBondContact O-CG 3.44Å; L2650-L2658 HydrophobicContact CD1-CD1 3.39Å |
| 2651 | P | 68.1 | Low | 63 | Low | 80 Ų | 80 | 105.3 Ų | 105.3 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | trans | -54.6 | 147 | 170.9 | -25.3 | 34.6 | 0 | 0 | 0 | 112 | K2653 E2654 K2655 | P2651-K2653 PolarHBondContact O-N 2.68Å; P2651-E2654 PolarHBondContact O-N 3.22Å; P2651-K2655 PolarHBondContact O-N 3.34Å | ||
| 2652 | F | 73.9 | Confident | 64.1 | Low | 160 Ų | 160 | 104.7 Ų | 104.7 | 70% | 0.702 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -50.2 | -35.5 | -174.6 | 179.7 | -102.5 | 0 | 0 | 0 | 114.3 | E2654 K2655 M2656 | F2652-E2654 VanDerWaalsContact C-N 3.32Å; F2652-E2654 PolarHBondContact O-N 2.81Å; F2652-K2655 PolarHBondContact O-N 2.76Å; F2652-M2656 HydrophobicContact CD1-CG 4.16Å; F2652-M2656 HydrophobicContact CD2-CG 4.44Å; F2652-M2656 HydrophobicContact CE1-CG 3.66Å; F2652-M2656 HydrophobicContact CE2-CG 3.98Å; F2652-M2656 HydrophobicContact CE2-SD 4.19Å; F2652-M2656 HydrophobicContact CZ-CG 3.56Å; F2652-M2656 HydrophobicContact CZ-SD 3.87Å; F2652-M2656 WeakPolarHBondContact O-CB 3.23Å; F2652-M2656 WeakPolarHBondContact O-CG 3.23Å; F2652-M2656 PolarHBondContact O-N 2.87Å |
| 2653 | K | 75.2 | Confident | 65.8 | Low | 170 Ų | 170 | 99 Ų | 99 | 74% | 0.739 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -36 | 176.2 | -174.8 | -170.2 | 170.1 | -159 | 0 | 113 | P2651 R2657 | P2651-K2653 PolarHBondContact O-N 2.68Å; K2653-R2657 PolarHBondContact O-N 3.05Å; K2653-R2657 VanDerWaalsContact O-N 3.09Å |
| 2654 | E | 78.5 | Confident | 65.4 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -86.7 | -32.6 | 179.2 | -71.8 | -174.9 | 109.6 | 0 | 0 | 112.3 | L2650 P2651 F2652 M2656 R2657 L2658 | L2650-E2654 HydrophobicContact CB-CB 4.25Å; P2651-E2654 PolarHBondContact O-N 3.22Å; F2652-E2654 VanDerWaalsContact C-N 3.32Å; F2652-E2654 PolarHBondContact O-N 2.81Å; E2654-M2656 VanDerWaalsContact C-N 3.32Å; E2654-M2656 PolarHBondContact O-N 3Å; E2654-R2657 WeakPolarHBondContact O-CB 3.32Å; E2654-R2657 PolarHBondContact O-N 2.92Å; E2654-R2657 VanDerWaalsContact O-N 3.09Å; E2654-L2658 WeakPolarHBondContact O-CG 3.44Å; E2654-L2658 PolarHBondContact O-N 3.36Å |
| 2655 | K | 79.3 | Confident | 66.3 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 38% | 0.383 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.3 | -48.2 | 163.4 | -71.1 | -175.4 | 174.4 | -176.9 | 0 | 111.2 | A2647 E2648 L2650 P2651 F2652 R2657 L2658 F2659 | A2647-K2655 WeakPolarHBondContact O-CE 3.31Å; E2648-K2655 VanDerWaalsContact C-CE 3.49Å; E2648-K2655 WeakPolarHBondContact O-CE 3.49Å; E2648-K2655 PolarHBondContact O-NZ 3.14Å; L2650-K2655 HydrophobicContact CB-CG 4.09Å; L2650-K2655 WeakPolarHBondContact O-CE 3.39Å; L2650-K2655 WeakPolarHBondContact O-CG 3.44Å; P2651-K2655 PolarHBondContact O-N 3.34Å; F2652-K2655 PolarHBondContact O-N 2.76Å; K2655-R2657 VanDerWaalsContact C-N 3.29Å; K2655-R2657 PolarHBondContact O-N 2.83Å; K2655-L2658 PolarHBondContact O-N 2.64Å; K2655-F2659 VanDerWaalsContact O-CB 3.27Å; K2655-F2659 WeakPolarHBondContact O-CB 3.38Å; K2655-F2659 PolarHBondContact O-N 3.13Å |
| 2656 | M | 78 | Confident | 66.9 | Low | 54 Ų | 54 | 98.6 Ų | 98.6 | 27% | 0.266 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -28.9 | 174.7 | -74.5 | -56.6 | -50.8 | 0 | 0 | 113.5 | F2652 E2654 F2659 A2660 L2667 | F2652-M2656 HydrophobicContact CD1-CG 4.16Å; F2652-M2656 HydrophobicContact CD2-CG 4.44Å; F2652-M2656 HydrophobicContact CE1-CG 3.66Å; F2652-M2656 HydrophobicContact CE2-CG 3.98Å; F2652-M2656 HydrophobicContact CE2-SD 4.19Å; F2652-M2656 HydrophobicContact CZ-CG 3.56Å; F2652-M2656 HydrophobicContact CZ-SD 3.87Å; F2652-M2656 WeakPolarHBondContact O-CB 3.23Å; F2652-M2656 WeakPolarHBondContact O-CG 3.23Å; F2652-M2656 PolarHBondContact O-N 2.87Å; E2654-M2656 VanDerWaalsContact C-N 3.32Å; E2654-M2656 PolarHBondContact O-N 3Å; M2656-F2659 HydrophobicContact CE-CD1 4.39Å; M2656-A2660 VanDerWaalsContact O-CB 3.24Å; M2656-A2660 WeakPolarHBondContact O-CB 3.16Å; M2656-A2660 PolarHBondContact O-N 2.88Å; M2656-A2660 VanDerWaalsContact O-N 3.16Å; M2656-L2667 HydrophobicContact CB-CD2 3.98Å |
| 2657 | R | 80.1 | Confident | 67.8 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 40% | 0.404 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -47.9 | 174 | -172.4 | 178.1 | 71.8 | 76.3 | -5 | 111 | K2653 E2654 K2655 Q2661 L2667 | K2653-R2657 PolarHBondContact O-N 3.05Å; K2653-R2657 VanDerWaalsContact O-N 3.09Å; E2654-R2657 WeakPolarHBondContact O-CB 3.32Å; E2654-R2657 PolarHBondContact O-N 2.92Å; E2654-R2657 VanDerWaalsContact O-N 3.09Å; K2655-R2657 VanDerWaalsContact C-N 3.29Å; K2655-R2657 PolarHBondContact O-N 2.83Å; R2657-Q2661 WeakPolarHBondContact O-CB 3.44Å; R2657-Q2661 PolarHBondContact O-N 2.97Å; R2657-L2667 HydrophobicContact CB-CD1 4.08Å; R2657-L2667 HydrophobicContact CG-CD1 4.02Å |
| 2658 | L | 75.2 | Confident | 66.9 | Low | 43 Ų | 43 | 95.6 Ų | 95.6 | 23% | 0.225 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 179 | -69 | 177.8 | 0 | 0 | 0 | 111.8 | A2647 L2650 E2654 K2655 Q2661 Q2662 | A2647-L2658 HydrophobicContact CB-CD1 4.5Å; L2650-L2658 HydrophobicContact CD1-CD1 3.39Å; E2654-L2658 WeakPolarHBondContact O-CG 3.44Å; E2654-L2658 PolarHBondContact O-N 3.36Å; K2655-L2658 PolarHBondContact O-N 2.64Å; L2658-Q2661 CarbonylContact O-C 3.34Å; L2658-Q2661 PolarHBondContact O-N 3.33Å; L2658-Q2662 VanDerWaalsContact O-CB 3.24Å; L2658-Q2662 WeakPolarHBondContact O-CB 3.38Å; L2658-Q2662 PolarHBondContact O-N 3.1Å |
| 2659 | F | 75.9 | Confident | 66.4 | Low | 119 Ų | 119 | 96.1 Ų | 96.1 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58 | -51.3 | 174.3 | 179.7 | -97.2 | 0 | 0 | 0 | 111.4 | K2655 M2656 Q2661 Q2662 I2663 | K2655-F2659 VanDerWaalsContact O-CB 3.27Å; K2655-F2659 WeakPolarHBondContact O-CB 3.38Å; K2655-F2659 PolarHBondContact O-N 3.13Å; M2656-F2659 HydrophobicContact CE-CD1 4.39Å; F2659-Q2661 PolarHBondContact O-N 3.44Å; F2659-Q2662 PolarHBondContact O-N 3.28Å; F2659-Q2662 VanDerWaalsContact O-N 3.17Å; F2659-I2663 HydrophobicContact CD1-CD1 4.37Å; F2659-I2663 HydrophobicContact CE1-CD1 3.91Å; F2659-I2663 HydrophobicContact CZ-CG2 4.49Å; F2659-I2663 WeakPolarHBondContact O-CG1 3.35Å; F2659-I2663 PolarHBondContact O-N 2.98Å; F2659-I2663 VanDerWaalsContact O-N 3.13Å |
| 2660 | A | 72.9 | Confident | 65.7 | Low | 4 Ų | 4 | 93.3 Ų | 93.3 | 3% | 0.033 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M2656 Q2662 I2663 G2664 E2665 | M2656-A2660 VanDerWaalsContact O-CB 3.24Å; M2656-A2660 WeakPolarHBondContact O-CB 3.16Å; M2656-A2660 PolarHBondContact O-N 2.88Å; M2656-A2660 VanDerWaalsContact O-N 3.16Å; A2660-Q2662 VanDerWaalsContact C-N 3.27Å; A2660-Q2662 PolarHBondContact O-N 3.19Å; A2660-I2663 VanDerWaalsContact O-CG1 3.27Å; A2660-I2663 WeakPolarHBondContact O-CG1 3.4Å; A2660-I2663 PolarHBondContact O-N 3.32Å; A2660-G2664 PolarHBondContact O-N 2.74Å; A2660-G2664 VanDerWaalsContact O-N 3.13Å; A2660-E2665 CarbonylContact C-O 3.59Å; A2660-E2665 VanDerWaalsContact CB-O 3.24Å; A2660-E2665 WeakPolarHBondContact CB-O 3.29Å; A2660-E2665 PolarHBondContact O-N 3.35Å; A2660-E2665 VanDerWaalsContact O-O 3.05Å |
| 2661 | Q | 71.7 | Confident | 64.2 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.5 | -27.7 | 176.9 | -170.9 | 170.3 | 4.6 | 0 | 0 | 113.6 | R2657 L2658 F2659 | R2657-Q2661 WeakPolarHBondContact O-CB 3.44Å; R2657-Q2661 PolarHBondContact O-N 2.97Å; L2658-Q2661 CarbonylContact O-C 3.34Å; L2658-Q2661 PolarHBondContact O-N 3.33Å; F2659-Q2661 PolarHBondContact O-N 3.44Å |
| 2662 | Q | 59.6 | Low | 62.9 | Low | 128 Ų | 128 | 99 Ų | 99 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82.5 | -22.5 | 177.8 | -174.8 | 169.7 | -16.3 | 0 | 0 | 113.2 | L2658 F2659 A2660 | L2658-Q2662 VanDerWaalsContact O-CB 3.24Å; L2658-Q2662 WeakPolarHBondContact O-CB 3.38Å; L2658-Q2662 PolarHBondContact O-N 3.1Å; F2659-Q2662 PolarHBondContact O-N 3.28Å; F2659-Q2662 VanDerWaalsContact O-N 3.17Å; A2660-Q2662 VanDerWaalsContact C-N 3.27Å; A2660-Q2662 PolarHBondContact O-N 3.19Å |
| 2663 | I | 69.8 | Low | 61.3 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 41% | 0.41 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 6 | 170.6 | 66.5 | 174.8 | 0 | 0 | 0 | 113.2 | F2659 A2660 E2665 | F2659-I2663 HydrophobicContact CD1-CD1 4.37Å; F2659-I2663 HydrophobicContact CE1-CD1 3.91Å; F2659-I2663 HydrophobicContact CZ-CG2 4.49Å; F2659-I2663 WeakPolarHBondContact O-CG1 3.35Å; F2659-I2663 PolarHBondContact O-N 2.98Å; F2659-I2663 VanDerWaalsContact O-N 3.13Å; A2660-I2663 VanDerWaalsContact O-CG1 3.27Å; A2660-I2663 WeakPolarHBondContact O-CG1 3.4Å; A2660-I2663 PolarHBondContact O-N 3.32Å; I2663-E2665 VanDerWaalsContact C-N 3.29Å; I2663-E2665 HydrophobicContact CD1-CB 4.16Å; I2663-E2665 HydrophobicContact CD1-CG 4.04Å; I2663-E2665 VanDerWaalsContact CD1-OE2 3.29Å; I2663-E2665 WeakPolarHBondContact CD1-OE2 2.96Å; I2663-E2665 HydrophobicContact CG1-CB 4Å; I2663-E2665 HydrophobicContact CG1-CG 4.01Å; I2663-E2665 PolarHBondContact O-N 3.32Å |
| 2664 | G | 41.4 | Very low | 59.7 | Low | 72 Ų | 72 | 92.5 Ų | 92.5 | 74% | 0.742 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 11.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A2660 | A2660-G2664 PolarHBondContact O-N 2.74Å; A2660-G2664 VanDerWaalsContact O-N 3.13Å |
| 2665 | E | 57.8 | Low | 58.4 | Low | 88 Ų | 88 | 92.1 Ų | 92.1 | 41% | 0.411 | 47% | 0.467 | S | S | . | . | trans | -107.7 | 158.3 | -176.6 | -64.5 | -161.6 | 110.1 | 0 | 0 | 114 | A2660 I2663 R2671 | A2660-E2665 CarbonylContact C-O 3.59Å; A2660-E2665 VanDerWaalsContact CB-O 3.24Å; A2660-E2665 WeakPolarHBondContact CB-O 3.29Å; A2660-E2665 PolarHBondContact O-N 3.35Å; A2660-E2665 VanDerWaalsContact O-O 3.05Å; I2663-E2665 VanDerWaalsContact C-N 3.29Å; I2663-E2665 HydrophobicContact CD1-CB 4.16Å; I2663-E2665 HydrophobicContact CD1-CG 4.04Å; I2663-E2665 VanDerWaalsContact CD1-OE2 3.29Å; I2663-E2665 WeakPolarHBondContact CD1-OE2 2.96Å; I2663-E2665 HydrophobicContact CG1-CB 4Å; I2663-E2665 HydrophobicContact CG1-CG 4.01Å; I2663-E2665 PolarHBondContact O-N 3.32Å; E2665-R2671 VanDerWaalsContact CD-CZ 3.46Å; E2665-R2671 VanDerWaalsContact CD-NH2 3.28Å; E2665-R2671 IonicContact OE1-CZ 2.87Å; E2665-R2671 IonicContact OE1-NH1 3.24Å; E2665-R2671 PolarHBondContact OE1-NH1 3.41Å; E2665-R2671 IonicContact OE1-NH2 3.09Å; E2665-R2671 IonicContact OE2-CZ 2.64Å; E2665-R2671 IonicContact OE2-NH1 3.59Å; E2665-R2671 PolarHBondContact OE2-NH1 2.77Å; E2665-R2671 IonicContact OE2-NH2 3.87Å; E2665-R2671 PolarHBondContact OE2-NH2 2.74Å | ||
| 2666 | D | 51.8 | Low | 56.6 | Low | 112 Ų | 112 | 92 Ų | 92 | 60% | 0.599 | 48% | 0.477 | S | S | * | . | trans | -78.8 | 151.6 | 170.1 | -81.4 | -45.5 | 0 | 0 | 0 | 113.6 | R2671 | D2666-R2671 PolarHBondContact O-NE 3.26Å; D2666-R2671 PolarHBondContact O-NH2 2.65Å | ||
| 2667 | L | 62.4 | Low | 55.1 | Low | 46 Ų | 46 | 95.2 Ų | 95.2 | 24% | 0.241 | 49% | 0.486 | C | S | . | . | trans | -52.9 | 142.6 | 172.6 | -86.5 | 156.8 | 0 | 0 | 0 | 112 | M2656 R2657 K2669 E2670 R2671 | M2656-L2667 HydrophobicContact CB-CD2 3.98Å; R2657-L2667 HydrophobicContact CB-CD1 4.08Å; R2657-L2667 HydrophobicContact CG-CD1 4.02Å; L2667-K2669 PolarHBondContact O-N 2.84Å; L2667-E2670 PolarHBondContact O-N 3.24Å; L2667-R2671 PolarHBondContact O-N 2.8Å | ||
| 2668 | P | 43.1 | Very low | 54 | Low | 67 Ų | 67 | 95.1 Ų | 95.1 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.2 | -27.9 | -175.5 | -30 | 35.7 | 0 | 0 | 0 | 115.9 | E2670 I2672 | P2668-E2670 VanDerWaalsContact C-N 3.28Å; P2668-E2670 PolarHBondContact O-N 3.44Å; P2668-I2672 WeakPolarHBondContact O-CD1 3.07Å; P2668-I2672 WeakPolarHBondContact O-CG1 3.48Å |
| 2669 | K | 46.3 | Very low | 52.9 | Low | 180 Ų | 180 | 100.6 Ų | 100.6 | 78% | 0.783 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -79.6 | -6 | 178.1 | -68.7 | -173.9 | 176.7 | -179.8 | 0 | 114.3 | L2667 K2673 | L2667-K2669 PolarHBondContact O-N 2.84Å; K2669-K2673 WeakPolarHBondContact O-CE 3.45Å |
| 2670 | E | 46.5 | Very low | 52.2 | Low | 98 Ų | 98 | 100.7 Ų | 100.7 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -113.7 | -29.5 | 175.6 | -49.6 | -143.5 | 97.1 | 0 | 0 | 111.1 | L2667 P2668 I2672 K2673 | L2667-E2670 PolarHBondContact O-N 3.24Å; P2668-E2670 VanDerWaalsContact C-N 3.28Å; P2668-E2670 PolarHBondContact O-N 3.44Å; E2670-I2672 PolarHBondContact O-N 3.5Å; E2670-K2673 WeakPolarHBondContact O-CB 3.14Å; E2670-K2673 PolarHBondContact O-N 3.48Å; E2670-K2673 IonicContact OE1-NZ 2.86Å; E2670-K2673 PolarHBondContact OE1-NZ 2.8Å |
| 2671 | R | 39.9 | Very low | 51.3 | Low | 110 Ų | 110 | 103.9 Ų | 103.9 | 42% | 0.415 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -51.7 | -26.3 | 165.9 | -153.2 | 178.3 | -61.8 | -155.3 | 2.2 | 114.1 | E2665 D2666 L2667 | E2665-R2671 VanDerWaalsContact CD-CZ 3.46Å; E2665-R2671 VanDerWaalsContact CD-NH2 3.28Å; E2665-R2671 IonicContact OE1-CZ 2.87Å; E2665-R2671 IonicContact OE1-NH1 3.24Å; E2665-R2671 PolarHBondContact OE1-NH1 3.41Å; E2665-R2671 IonicContact OE1-NH2 3.09Å; E2665-R2671 IonicContact OE2-CZ 2.64Å; E2665-R2671 IonicContact OE2-NH1 3.59Å; E2665-R2671 PolarHBondContact OE2-NH1 2.77Å; E2665-R2671 IonicContact OE2-NH2 3.87Å; E2665-R2671 PolarHBondContact OE2-NH2 2.74Å; D2666-R2671 PolarHBondContact O-NE 3.26Å; D2666-R2671 PolarHBondContact O-NH2 2.65Å; L2667-R2671 PolarHBondContact O-N 2.8Å |
| 2672 | I | 42.2 | Very low | 50.7 | Low | 148 Ų | 148 | 103.7 Ų | 103.7 | 76% | 0.759 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13 | 175.7 | -66.6 | 167.5 | 0 | 0 | 0 | 113.2 | P2668 E2670 | P2668-I2672 WeakPolarHBondContact O-CD1 3.07Å; P2668-I2672 WeakPolarHBondContact O-CG1 3.48Å; E2670-I2672 PolarHBondContact O-N 3.5Å |
| 2673 | K | 39.4 | Very low | 50.3 | Low | 145 Ų | 145 | 100.7 Ų | 100.7 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -98.3 | -9.5 | -174.1 | -59.7 | 177.2 | -166.2 | 158.2 | 0 | 114.8 | K2669 E2670 | K2669-K2673 WeakPolarHBondContact O-CE 3.45Å; E2670-K2673 WeakPolarHBondContact O-CB 3.14Å; E2670-K2673 PolarHBondContact O-N 3.48Å; E2670-K2673 IonicContact OE1-NZ 2.86Å; E2670-K2673 PolarHBondContact OE1-NZ 2.8Å |
| 2674 | A | 41.8 | Very low | 49.9 | Very low | 49 Ų | 49 | 99 Ų | 99 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -122.5 | 114.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 2675 | S | 50.6 | Low | 50.1 | Low | 72 Ų | 72 | 101 Ų | 101 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | trans | -64.5 | 150 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | R2677 Q2678 R2679 | S2675-R2677 PolarHBondContact O-N 2.89Å; S2675-R2677 PolarHBondContact OG-N 2.69Å; S2675-Q2678 WeakPolarHBondContact O-CA 3.42Å; S2675-Q2678 WeakPolarHBondContact O-CB 3.38Å; S2675-Q2678 PolarHBondContact O-N 2.92Å; S2675-R2679 PolarHBondContact O-N 3.41Å; S2675-R2679 VanDerWaalsContact O-N 3.14Å | ||
| 2676 | S | 42.6 | Very low | 49.2 | Very low | 85 Ų | 85 | 103.1 Ų | 103.1 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -53.4 | -41.1 | 167.5 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | Q2678 R2679 E2680 | S2676-Q2678 PolarHBondContact O-N 3.38Å; S2676-R2679 WeakPolarHBondContact O-CB 3.24Å; S2676-R2679 PolarHBondContact O-N 3.5Å; S2676-R2679 VanDerWaalsContact O-N 3.09Å; S2676-E2680 WeakPolarHBondContact O-CB 2.95Å; S2676-E2680 PolarHBondContact O-N 2.88Å |
| 2677 | R | 46.5 | Very low | 48.7 | Very low | 122 Ų | 122 | 101.8 Ų | 101.8 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -23.2 | 175.6 | -160.9 | 171.5 | -179.3 | 178.4 | -2.3 | 113 | S2675 L2681 | S2675-R2677 PolarHBondContact O-N 2.89Å; S2675-R2677 PolarHBondContact OG-N 2.69Å; R2677-L2681 WeakPolarHBondContact O-CB 3.38Å; R2677-L2681 WeakPolarHBondContact O-CD1 3.21Å; R2677-L2681 WeakPolarHBondContact O-CG 3.11Å; R2677-L2681 PolarHBondContact O-N 3.35Å |
| 2678 | Q | 57.1 | Low | 47.4 | Very low | 105 Ų | 105 | 106.5 Ų | 106.5 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -83.4 | -29.1 | 174.9 | -169.5 | 148.8 | 18.2 | 0 | 0 | 112.8 | S2675 S2676 Q2682 | S2675-Q2678 WeakPolarHBondContact O-CA 3.42Å; S2675-Q2678 WeakPolarHBondContact O-CB 3.38Å; S2675-Q2678 PolarHBondContact O-N 2.92Å; S2676-Q2678 PolarHBondContact O-N 3.38Å; Q2678-Q2682 WeakPolarHBondContact O-CB 3.18Å; Q2678-Q2682 VanDerWaalsContact O-CG 3.27Å; Q2678-Q2682 WeakPolarHBondContact O-CG 3.24Å; Q2678-Q2682 PolarHBondContact O-N 2.75Å; Q2678-Q2682 VanDerWaalsContact O-N 3.09Å |
| 2679 | R | 52.3 | Low | 47.6 | Very low | 158 Ų | 158 | 108.5 Ų | 108.5 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.9 | -46.1 | 164.2 | -81.8 | -175.5 | -74.6 | 171.1 | -1.7 | 110.9 | S2675 S2676 L2681 Q2682 S2683 | S2675-R2679 PolarHBondContact O-N 3.41Å; S2675-R2679 VanDerWaalsContact O-N 3.14Å; S2676-R2679 WeakPolarHBondContact O-CB 3.24Å; S2676-R2679 PolarHBondContact O-N 3.5Å; S2676-R2679 VanDerWaalsContact O-N 3.09Å; R2679-L2681 PolarHBondContact O-N 2.78Å; R2679-Q2682 CarbonylContact O-C 3.56Å; R2679-Q2682 WeakPolarHBondContact O-CA 3.14Å; R2679-Q2682 WeakPolarHBondContact O-CB 3.01Å; R2679-Q2682 PolarHBondContact O-N 3.29Å; R2679-S2683 PolarHBondContact O-N 2.74Å; R2679-S2683 PolarHBondContact O-OG 3.01Å |
| 2680 | E | 61.4 | Low | 47.7 | Very low | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.3 | -42.2 | 177.5 | -170.4 | 173.2 | -136.7 | 0 | 0 | 112.7 | S2676 S2683 A2684 | S2676-E2680 WeakPolarHBondContact O-CB 2.95Å; S2676-E2680 PolarHBondContact O-N 2.88Å; E2680-S2683 WeakPolarHBondContact CA-OG 3.48Å; E2680-S2683 PolarHBondContact O-N 3.04Å; E2680-S2683 PolarHBondContact O-OG 3.04Å; E2680-A2684 WeakPolarHBondContact O-CB 3.48Å; E2680-A2684 PolarHBondContact O-N 2.96Å |
| 2681 | L | 52.7 | Low | 47.7 | Very low | 71 Ų | 71 | 105.1 Ų | 105.1 | 37% | 0.372 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -30.1 | 171 | -74.2 | 168.7 | 0 | 0 | 0 | 112.8 | R2677 R2679 N2685 | R2677-L2681 WeakPolarHBondContact O-CB 3.38Å; R2677-L2681 WeakPolarHBondContact O-CD1 3.21Å; R2677-L2681 WeakPolarHBondContact O-CG 3.11Å; R2677-L2681 PolarHBondContact O-N 3.35Å; R2679-L2681 PolarHBondContact O-N 2.78Å; L2681-N2685 VanDerWaalsContact O-CB 3.3Å; L2681-N2685 WeakPolarHBondContact O-CB 3.39Å; L2681-N2685 PolarHBondContact O-N 3.12Å; L2681-N2685 PolarHBondContact O-ND2 3.08Å |
| 2682 | Q | 60.4 | Low | 48.2 | Very low | 119 Ų | 119 | 104.8 Ų | 104.8 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75 | -27.6 | 174.3 | -79.1 | 177.6 | -28.5 | 0 | 0 | 112.9 | Q2678 R2679 N2686 | Q2678-Q2682 WeakPolarHBondContact O-CB 3.18Å; Q2678-Q2682 VanDerWaalsContact O-CG 3.27Å; Q2678-Q2682 WeakPolarHBondContact O-CG 3.24Å; Q2678-Q2682 PolarHBondContact O-N 2.75Å; Q2678-Q2682 VanDerWaalsContact O-N 3.09Å; R2679-Q2682 CarbonylContact O-C 3.56Å; R2679-Q2682 WeakPolarHBondContact O-CA 3.14Å; R2679-Q2682 WeakPolarHBondContact O-CB 3.01Å; R2679-Q2682 PolarHBondContact O-N 3.29Å; Q2682-N2686 PolarHBondContact O-ND2 3.1Å |
| 2683 | S | 50.5 | Low | 48.6 | Very low | 65 Ų | 65 | 102.1 Ų | 102.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -74.3 | -46 | 166.2 | 43.9 | 0 | 0 | 0 | 0 | 111.4 | R2679 E2680 N2685 N2686 L2687 | R2679-S2683 PolarHBondContact O-N 2.74Å; R2679-S2683 PolarHBondContact O-OG 3.01Å; E2680-S2683 WeakPolarHBondContact CA-OG 3.48Å; E2680-S2683 PolarHBondContact O-N 3.04Å; E2680-S2683 PolarHBondContact O-OG 3.04Å; S2683-N2685 PolarHBondContact O-N 2.66Å; S2683-N2686 CarbonylContact O-C 3.56Å; S2683-N2686 WeakPolarHBondContact O-CA 2.86Å; S2683-N2686 PolarHBondContact O-N 2.95Å; S2683-L2687 VanDerWaalsContact O-CD1 3.27Å; S2683-L2687 WeakPolarHBondContact O-CD1 2.91Å; S2683-L2687 PolarHBondContact O-N 2.57Å; S2683-L2687 VanDerWaalsContact O-N 3.11Å |
| 2684 | A | 60.3 | Low | 49.2 | Very low | 46 Ų | 46 | 99.2 Ų | 99.2 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2680 N2686 L2687 H2688 | E2680-A2684 WeakPolarHBondContact O-CB 3.48Å; E2680-A2684 PolarHBondContact O-N 2.96Å; A2684-N2686 PolarHBondContact O-N 2.82Å; A2684-N2686 VanDerWaalsContact O-N 3.12Å; A2684-L2687 PolarHBondContact O-N 2.62Å; A2684-L2687 VanDerWaalsContact O-N 3.09Å; A2684-H2688 PolarHBondContact O-N 3.13Å; A2684-H2688 VanDerWaalsContact O-N 3.09Å |
| 2685 | N | 46.8 | Very low | 49.7 | Very low | 113 Ų | 113 | 102.8 Ų | 102.8 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72 | 4.3 | 174.2 | -73.2 | -68 | 0 | 0 | 0 | 114.4 | L2681 S2683 | L2681-N2685 VanDerWaalsContact O-CB 3.3Å; L2681-N2685 WeakPolarHBondContact O-CB 3.39Å; L2681-N2685 PolarHBondContact O-N 3.12Å; L2681-N2685 PolarHBondContact O-ND2 3.08Å; S2683-N2685 PolarHBondContact O-N 2.66Å |
| 2686 | N | 38.8 | Very low | 49.6 | Very low | 133 Ų | 133 | 105.2 Ų | 105.2 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -117.1 | -4.4 | 167.7 | -76.3 | -67.2 | 0 | 0 | 0 | 113 | Q2682 S2683 A2684 | Q2682-N2686 PolarHBondContact O-ND2 3.1Å; S2683-N2686 CarbonylContact O-C 3.56Å; S2683-N2686 WeakPolarHBondContact O-CA 2.86Å; S2683-N2686 PolarHBondContact O-N 2.95Å; A2684-N2686 PolarHBondContact O-N 2.82Å; A2684-N2686 VanDerWaalsContact O-N 3.12Å |
| 2687 | L | 40.3 | Very low | 50.2 | Low | 84 Ų | 84 | 106.8 Ų | 106.8 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -81.5 | -37.5 | 158.8 | -86.9 | 86.2 | 0 | 0 | 0 | 109.9 | T1804 V1805 S2683 A2684 | T1804-L2687 CarbonylContact C-O 3.56Å; T1804-L2687 WeakPolarHBondContact CA-O 3.1Å; T1804-L2687 PolarHBondContact N-O 2.98Å; T1804-L2687 VanDerWaalsContact N-O 3.13Å; T1804-L2687 WeakPolarHBondContact O-CD2 3.18Å; V1805-L2687 PolarHBondContact N-O 3.06Å; S2683-L2687 VanDerWaalsContact O-CD1 3.27Å; S2683-L2687 WeakPolarHBondContact O-CD1 2.91Å; S2683-L2687 PolarHBondContact O-N 2.57Å; S2683-L2687 VanDerWaalsContact O-N 3.11Å; A2684-L2687 PolarHBondContact O-N 2.62Å; A2684-L2687 VanDerWaalsContact O-N 3.09Å |
| 2688 | H | 35.7 | Very low | 50.6 | Low | 144 Ų | 144 | 105.5 Ų | 105.5 | 67% | 0.667 | 53% | 0.531 | S | S | * | . | trans | -75.1 | 0 | -176.8 | -139.2 | -27.7 | 0 | 0 | 0 | 115.2 | C1806 A2684 | C1806-H2688 PolarHBondContact SG-CD2 2.96Å; A2684-H2688 PolarHBondContact O-N 3.13Å; A2684-H2688 VanDerWaalsContact O-N 3.09Å |
Retrieved 2,688 of 2,688 residues in 898.1 ms
(Link to these results)