| 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 | 45.1 | Very low | 77.7 | Confident | 237 Ų | 237 | 93.5 Ų | 93.5 | 100% | 1.167 | 49% | 0.487 | S | S | * | . | 0 | 133.3 | 0 | -72.8 | -179.4 | 173.8 | 0 | 0 | 106.9 | |||||
| 2 | D | 62.4 | Low | 78.8 | Confident | 125 Ų | 125 | 93.7 Ų | 93.7 | 67% | 0.668 | 48% | 0.477 | S | S | * | . | trans | -77.9 | 125.2 | -178.4 | -48 | -43.5 | 0 | 0 | 0 | 109.5 | N4 S5 | D2-N4 PolarHBondContact O-N 3.26Å; D2-N4 VanDerWaalsContact O-N 3.13Å; D2-S5 VanDerWaalsContact O-CB 3.24Å; D2-S5 WeakPolarHBondContact O-CB 3.26Å; D2-S5 PolarHBondContact O-N 2.87Å | ||
| 3 | S | 64.7 | Low | 79.8 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 73% | 0.734 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -54.5 | -35.7 | -179.6 | -48.4 | 0 | 0 | 0 | 0 | 112.1 | S5 L6 L7 | S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 3.22Å; S3-L6 PolarHBondContact O-N 3.24Å; S3-L7 PolarHBondContact O-N 2.92Å |
| 4 | N | 74.2 | Confident | 80.6 | Confident | 101 Ų | 101 | 94.4 Ų | 94.4 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.6 | -39 | 173.6 | -69.2 | -32.4 | 0 | 0 | 0 | 112.7 | D2 L7 R8 | D2-N4 PolarHBondContact O-N 3.26Å; D2-N4 VanDerWaalsContact O-N 3.13Å; N4-L7 WeakPolarHBondContact O-CB 3.43Å; N4-L7 PolarHBondContact O-N 3.28Å; N4-R8 WeakPolarHBondContact O-CG 3.32Å; N4-R8 PolarHBondContact O-N 3.03Å |
| 5 | S | 81.1 | Confident | 81.3 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -53 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | D2 S3 L7 R8 D9 R412 | D2-S5 VanDerWaalsContact O-CB 3.24Å; D2-S5 WeakPolarHBondContact O-CB 3.26Å; D2-S5 PolarHBondContact O-N 2.87Å; S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 3.22Å; S5-L7 PolarHBondContact O-N 2.81Å; S5-R8 WeakPolarHBondContact O-CB 2.93Å; S5-R8 PolarHBondContact O-N 3.26Å; S5-D9 PolarHBondContact O-N 3.47Å; S5-D9 VanDerWaalsContact O-N 3.11Å; S5-D9 VanDerWaalsContact O-OD2 3.05Å; S5-D9 PolarHBondContact OG-OD2 3.15Å; S5-R412 PolarHBondContact OG-NH2 3.34Å |
| 6 | L | 84.9 | Confident | 82 | Confident | 110 Ų | 110 | 87.7 Ų | 87.7 | 58% | 0.576 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.3 | -38.4 | -179.7 | -178.6 | 64.8 | 0 | 0 | 0 | 111 | S3 D9 Q10 | S3-L6 PolarHBondContact O-N 3.24Å; L6-D9 PolarHBondContact O-N 2.97Å; L6-Q10 VanDerWaalsContact O-CG 3.31Å; L6-Q10 WeakPolarHBondContact O-CG 3.2Å; L6-Q10 PolarHBondContact O-N 3.41Å |
| 7 | L | 87.3 | Confident | 82.4 | Confident | 32 Ų | 32 | 88 Ų | 88 | 17% | 0.168 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.1 | -164.4 | 73.9 | 0 | 0 | 0 | 112.6 | S3 N4 S5 D9 Q10 I11 Q35 H38 | S3-L7 PolarHBondContact O-N 2.92Å; N4-L7 WeakPolarHBondContact O-CB 3.43Å; N4-L7 PolarHBondContact O-N 3.28Å; S5-L7 PolarHBondContact O-N 2.81Å; L7-D9 VanDerWaalsContact C-N 3.33Å; L7-D9 PolarHBondContact O-N 3.31Å; L7-Q10 PolarHBondContact O-N 3.03Å; L7-I11 HydrophobicContact CD2-CD1 4.26Å; L7-I11 HydrophobicContact CG-CD1 3.87Å; L7-I11 WeakPolarHBondContact O-CB 3.33Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.22Å; L7-Q35 HydrophobicContact CD1-CG 4.26Å; L7-H38 WeakPolarHBondContact CD2-CD2 3.42Å; L7-H38 WeakPolarHBondContact CD2-NE2 3.22Å |
| 8 | R | 85.6 | Confident | 82.8 | Confident | 132 Ų | 132 | 83.6 Ų | 83.6 | 50% | 0.498 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 175 | -55.7 | -151.3 | 169.1 | -159.6 | -6.5 | 111.1 | N4 S5 Q10 I11 R12 F41 | N4-R8 WeakPolarHBondContact O-CG 3.32Å; N4-R8 PolarHBondContact O-N 3.03Å; S5-R8 WeakPolarHBondContact O-CB 2.93Å; S5-R8 PolarHBondContact O-N 3.26Å; R8-Q10 VanDerWaalsContact C-N 3.34Å; R8-Q10 PolarHBondContact O-N 3.23Å; R8-I11 PolarHBondContact O-N 3.32Å; R8-R12 VanDerWaalsContact O-CB 3.29Å; R8-R12 WeakPolarHBondContact O-CB 3.35Å; R8-R12 PolarHBondContact O-N 2.87Å; R8-F41 HydrophobicContact CB-CE1 4.06Å; R8-F41 HydrophobicContact CB-CZ 3.6Å; R8-F41 VanDerWaalsContact CD-CE2 3.5Å; R8-F41 HydrophobicContact CG-CE1 3.74Å; R8-F41 HydrophobicContact CG-CE2 4.01Å; R8-F41 HydrophobicContact CG-CZ 3.34Å; R8-F41 VanDerWaalsContact CZ-CE2 3.49Å |
| 9 | D | 87.1 | Confident | 83.2 | Confident | 67 Ų | 67 | 81.6 Ų | 81.6 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | -176.7 | -58.2 | -42.7 | 0 | 0 | 0 | 110.4 | S5 L6 L7 H13 R412 | S5-D9 PolarHBondContact O-N 3.47Å; S5-D9 VanDerWaalsContact O-N 3.11Å; S5-D9 VanDerWaalsContact O-OD2 3.05Å; S5-D9 PolarHBondContact OG-OD2 3.15Å; L6-D9 PolarHBondContact O-N 2.97Å; L7-D9 VanDerWaalsContact C-N 3.33Å; L7-D9 PolarHBondContact O-N 3.31Å; D9-H13 WeakPolarHBondContact O-CB 3.41Å; D9-H13 PolarHBondContact O-N 3.16Å; D9-R412 IonicContact OD1-NH1 3.8Å; D9-R412 PolarHBondContact OD1-NH1 3.03Å; D9-R412 IonicContact OD1-NH2 2.65Å; D9-R412 IonicContact OD2-NH2 3.26Å; D9-R412 PolarHBondContact OD2-NH2 3.02Å |
| 10 | Q | 90.1 | Very high | 83.4 | Confident | 80 Ų | 80 | 81.8 Ų | 81.8 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.3 | -46 | 172.8 | -73.2 | 178.5 | 12.2 | 0 | 0 | 114.2 | L6 L7 R8 R12 H13 K14 F31 | L6-Q10 VanDerWaalsContact O-CG 3.31Å; L6-Q10 WeakPolarHBondContact O-CG 3.2Å; L6-Q10 PolarHBondContact O-N 3.41Å; L7-Q10 PolarHBondContact O-N 3.03Å; R8-Q10 VanDerWaalsContact C-N 3.34Å; R8-Q10 PolarHBondContact O-N 3.23Å; Q10-R12 VanDerWaalsContact C-N 3.32Å; Q10-R12 PolarHBondContact O-N 3.39Å; Q10-H13 PolarHBondContact O-N 3.06Å; Q10-K14 PolarHBondContact O-N 3.26Å; Q10-F31 HydrophobicContact CB-CZ 4.13Å |
| 11 | I | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 176.6 | -74.1 | 162.8 | 0 | 0 | 0 | 109.9 | L7 R8 H13 K14 L15 F31 L32 F41 I42 Q45 | L7-I11 HydrophobicContact CD2-CD1 4.26Å; L7-I11 HydrophobicContact CG-CD1 3.87Å; L7-I11 WeakPolarHBondContact O-CB 3.33Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 3.22Å; R8-I11 PolarHBondContact O-N 3.32Å; I11-H13 PolarHBondContact O-N 3.28Å; I11-K14 PolarHBondContact O-N 3.41Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 WeakPolarHBondContact O-CB 3.37Å; I11-L15 WeakPolarHBondContact O-CG 3.47Å; I11-L15 PolarHBondContact O-N 3.12Å; I11-F31 HydrophobicContact CG1-CE1 4.35Å; I11-L32 HydrophobicContact CG1-CD2 4.06Å; I11-L32 HydrophobicContact CG2-CD2 4.09Å; I11-F41 HydrophobicContact CD1-CD1 3.94Å; I11-F41 HydrophobicContact CD1-CE1 3.74Å; I11-F41 HydrophobicContact CG2-CE1 4.48Å; I11-I42 HydrophobicContact CD1-CD1 4.41Å; I11-I42 HydrophobicContact CD1-CG1 3.79Å; I11-I42 HydrophobicContact CG1-CG1 4.41Å; I11-I42 HydrophobicContact CG2-CG1 4.35Å; I11-Q45 HydrophobicContact CG2-CB 4.22Å; I11-Q45 HydrophobicContact CG2-CG 4.46Å |
| 12 | R | 91.5 | Very high | 85.9 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 179.2 | -164.6 | -179.5 | -172.9 | 98.9 | -3.3 | 111.8 | R8 Q10 T16 E48 I49 | R8-R12 VanDerWaalsContact O-CB 3.29Å; R8-R12 WeakPolarHBondContact O-CB 3.35Å; R8-R12 PolarHBondContact O-N 2.87Å; Q10-R12 VanDerWaalsContact C-N 3.32Å; Q10-R12 PolarHBondContact O-N 3.39Å; R12-T16 WeakPolarHBondContact O-CB 3.45Å; R12-T16 PolarHBondContact O-N 2.68Å; R12-T16 PolarHBondContact O-OG1 2.92Å; R12-E48 IonicContact CZ-OE1 2.8Å; R12-E48 IonicContact CZ-OE2 3.22Å; R12-E48 IonicContact NH1-OE1 3.31Å; R12-E48 PolarHBondContact NH1-OE1 3.18Å; R12-E48 IonicContact NH1-OE2 2.81Å; R12-E48 PolarHBondContact NH1-OE2 3.49Å; R12-E48 IonicContact NH2-OE1 3.56Å; R12-E48 PolarHBondContact NH2-OE1 2.78Å; R12-I49 HydrophobicContact CG-CD1 4.07Å |
| 13 | H | 91.2 | Very high | 87.2 | Confident | 113 Ų | 113 | 73.4 Ų | 73.4 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -53.3 | 174.1 | -161.3 | -70.8 | 0 | 0 | 0 | 111.2 | D9 Q10 I11 L15 T16 E17 | D9-H13 WeakPolarHBondContact O-CB 3.41Å; D9-H13 PolarHBondContact O-N 3.16Å; Q10-H13 PolarHBondContact O-N 3.06Å; I11-H13 PolarHBondContact O-N 3.28Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 2.89Å; H13-T16 PolarHBondContact O-N 2.76Å; H13-E17 IonicContact CE1-OE1 3.65Å; H13-E17 PolarHBondContact CE1-OE1 3.3Å; H13-E17 IonicContact CE1-OE2 2.81Å; H13-E17 PolarHBondContact CE1-OE2 3.4Å; H13-E17 VanDerWaalsContact CE1-OE2 3.31Å; H13-E17 IonicContact ND1-OE1 3.39Å; H13-E17 IonicContact ND1-OE2 3.38Å; H13-E17 PolarHBondContact ND1-OE2 3.21Å; H13-E17 WeakPolarHBondContact O-CG 3.32Å; H13-E17 PolarHBondContact O-N 3.15Å |
| 14 | K | 91 | Very high | 88.5 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 37% | 0.365 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | -178.3 | -74.2 | -66.1 | 175.2 | -155.3 | 0 | 114.1 | Q10 I11 E17 V28 F31 | Q10-K14 PolarHBondContact O-N 3.26Å; I11-K14 PolarHBondContact O-N 3.41Å; K14-E17 IonicContact NZ-OE2 3.91Å; K14-V28 HydrophobicContact CB-CG1 4.44Å; K14-V28 HydrophobicContact CB-CG2 4.49Å; K14-V28 WeakPolarHBondContact O-CG2 3.46Å; K14-F31 HydrophobicContact CB-CD1 4.27Å; K14-F31 HydrophobicContact CB-CE1 4.32Å; K14-F31 HydrophobicContact CG-CD1 3.93Å; K14-F31 HydrophobicContact CG-CE1 3.87Å; K14-F31 HydrophobicContact CG-CG 4.42Å; K14-F31 HydrophobicContact CG-CZ 4.3Å |
| 15 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76 | -26.9 | 174.4 | -73.6 | 170.3 | 0 | 0 | 0 | 113 | I11 H13 V18 V28 L32 Q45 W46 I49 F58 L62 | I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 WeakPolarHBondContact O-CB 3.37Å; I11-L15 WeakPolarHBondContact O-CG 3.47Å; I11-L15 PolarHBondContact O-N 3.12Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 2.89Å; L15-V18 WeakPolarHBondContact O-CG1 3.36Å; L15-V28 HydrophobicContact CD2-CG1 4.33Å; L15-L32 HydrophobicContact CD2-CD1 3.81Å; L15-L32 HydrophobicContact CG-CD1 4.27Å; L15-Q45 HydrophobicContact CD1-CB 4.3Å; L15-W46 HydrophobicContact CD1-CB 4.23Å; L15-I49 HydrophobicContact CB-CD1 3.42Å; L15-I49 VanDerWaalsContact CB-CD1 3.42Å; L15-I49 HydrophobicContact CD1-CD1 4.07Å; L15-I49 HydrophobicContact CG-CD1 4.4Å; L15-F58 WeakPolarHBondContact O-CZ 3.48Å; L15-L62 HydrophobicContact CD2-CD2 4.05Å |
| 16 | T | 91.4 | Very high | 90 | Very high | 82 Ų | 82 | 70.4 Ų | 70.4 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -79 | -28.1 | 177 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | R12 H13 V18 F58 | R12-T16 WeakPolarHBondContact O-CB 3.45Å; R12-T16 PolarHBondContact O-N 2.68Å; R12-T16 PolarHBondContact O-OG1 2.92Å; H13-T16 PolarHBondContact O-N 2.76Å; T16-V18 VanDerWaalsContact C-N 3.32Å; T16-V18 PolarHBondContact O-N 2.98Å; T16-F58 WeakPolarHBondContact O-CE2 3.26Å |
| 17 | E | 89.7 | Confident | 90.4 | Very high | 93 Ų | 93 | 69.1 Ų | 69.1 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5 | 176.8 | -66.5 | 179.6 | 122.1 | 0 | 0 | 114.6 | H13 K14 S19 H24 | H13-E17 IonicContact CE1-OE1 3.65Å; H13-E17 PolarHBondContact CE1-OE1 3.3Å; H13-E17 IonicContact CE1-OE2 2.81Å; H13-E17 PolarHBondContact CE1-OE2 3.4Å; H13-E17 VanDerWaalsContact CE1-OE2 3.31Å; H13-E17 IonicContact ND1-OE1 3.39Å; H13-E17 IonicContact ND1-OE2 3.38Å; H13-E17 PolarHBondContact ND1-OE2 3.21Å; H13-E17 WeakPolarHBondContact O-CG 3.32Å; H13-E17 PolarHBondContact O-N 3.15Å; K14-E17 IonicContact NZ-OE2 3.91Å; E17-S19 PolarHBondContact O-N 3.21Å; E17-H24 PolarHBondContact O-ND1 2.89Å |
| 18 | V | 90.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | trans | -66.9 | 136.7 | -175.6 | 75.8 | 0 | 0 | 0 | 0 | 111.4 | L15 T16 F58 A61 L62 V65 | L15-V18 WeakPolarHBondContact O-CG1 3.36Å; T16-V18 VanDerWaalsContact C-N 3.32Å; T16-V18 PolarHBondContact O-N 2.98Å; V18-F58 HydrophobicContact CG1-CD2 3.95Å; V18-F58 HydrophobicContact CG1-CE2 3.52Å; V18-F58 HydrophobicContact CG1-CZ 3.94Å; V18-A61 HydrophobicContact CG1-CB 4.12Å; V18-A61 HydrophobicContact CG2-CB 4.11Å; V18-L62 HydrophobicContact CG1-CD2 3.86Å; V18-L62 HydrophobicContact CG1-CG 4.02Å; V18-V65 HydrophobicContact CG2-CG2 3.56Å | ||
| 19 | S | 89 | Confident | 91 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | trans | -129 | 165.1 | 175.4 | 72 | 0 | 0 | 0 | 0 | 110.3 | E17 S21 H24 V25 | E17-S19 PolarHBondContact O-N 3.21Å; S19-S21 PolarHBondContact O-N 3.04Å; S19-S21 WeakPolarHBondContact OG-CB 3.21Å; S19-S21 PolarHBondContact OG-N 3.14Å; S19-H24 PolarHBondContact OG-ND1 2.95Å; S19-V25 WeakPolarHBondContact O-CG2 3.28Å | ||
| 20 | L | 88.4 | Confident | 91.2 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 45% | 0.445 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -67.8 | 1.4 | 175.8 | -71.4 | 171 | 0 | 0 | 0 | 114 | S22 S57 L60 A61 Y64 | L20-S22 PolarHBondContact O-N 2.9Å; L20-S57 WeakPolarHBondContact CD2-O 3.23Å; L20-S57 WeakPolarHBondContact CG-O 3.35Å; L20-L60 HydrophobicContact CD2-CB 4.19Å; L20-L60 HydrophobicContact CD2-CD2 3.98Å; L20-L60 HydrophobicContact CD2-CG 3.98Å; L20-A61 HydrophobicContact CD2-CB 3.89Å; L20-A61 HydrophobicContact CG-CB 4.19Å; L20-Y64 HydrophobicContact CD2-CD2 3.99Å; L20-Y64 HydrophobicContact CD2-CE2 3.94Å |
| 21 | S | 90.5 | Very high | 91.3 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | trans | -68.3 | 122.1 | 173.1 | 178 | 0 | 0 | 0 | 0 | 110.7 | S19 K23 H24 V25 | S19-S21 PolarHBondContact O-N 3.04Å; S19-S21 WeakPolarHBondContact OG-CB 3.21Å; S19-S21 PolarHBondContact OG-N 3.14Å; S21-K23 PolarHBondContact O-N 3.22Å; S21-H24 PolarHBondContact O-N 3.04Å; S21-V25 WeakPolarHBondContact O-CG2 2.79Å; S21-V25 PolarHBondContact O-N 3.11Å | ||
| 22 | S | 89.1 | Confident | 91.4 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53 | -28.9 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | L20 K26 | L20-S22 PolarHBondContact O-N 2.9Å; S22-K26 WeakPolarHBondContact O-CB 3.42Å; S22-K26 WeakPolarHBondContact O-CD 3.39Å; S22-K26 VanDerWaalsContact O-CG 3.26Å; S22-K26 WeakPolarHBondContact O-CG 3.45Å; S22-K26 PolarHBondContact O-N 3.06Å; S22-K26 WeakPolarHBondContact OG-CE 3.47Å; S22-K26 PolarHBondContact OG-NZ 3.03Å; S22-K26 VanDerWaalsContact OG-NZ 3.15Å |
| 23 | K | 90.6 | Very high | 91.3 | Very high | 141 Ų | 141 | 54.5 Ų | 54.5 | 61% | 0.613 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.5 | -57.7 | 172.4 | -179.3 | 171.9 | 178.9 | -178.4 | 0 | 111.8 | S21 V25 K26 D27 | S21-K23 PolarHBondContact O-N 3.22Å; K23-V25 VanDerWaalsContact C-N 3.27Å; K23-V25 PolarHBondContact O-N 3.07Å; K23-K26 PolarHBondContact O-N 3.41Å; K23-K26 VanDerWaalsContact O-N 3.09Å; K23-D27 WeakPolarHBondContact CE-OD2 3.41Å; K23-D27 VanDerWaalsContact CG-OD2 3.23Å; K23-D27 WeakPolarHBondContact CG-OD2 3.39Å; K23-D27 WeakPolarHBondContact O-CB 3.19Å; K23-D27 PolarHBondContact O-N 2.96Å |
| 24 | H | 92.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 39% | 0.389 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 178 | -91 | -149.5 | 0 | 0 | 0 | 112.1 | E17 S19 S21 K26 D27 V28 | E17-H24 PolarHBondContact O-ND1 2.89Å; S19-H24 PolarHBondContact OG-ND1 2.95Å; S21-H24 PolarHBondContact O-N 3.04Å; H24-K26 PolarHBondContact O-N 3.02Å; H24-D27 PolarHBondContact O-N 3.14Å; H24-V28 WeakPolarHBondContact O-CB 3.39Å; H24-V28 VanDerWaalsContact O-CG2 3.28Å; H24-V28 WeakPolarHBondContact O-CG2 3.4Å; H24-V28 PolarHBondContact O-N 3.4Å |
| 25 | V | 93.2 | Very high | 91 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.9 | 179 | 0 | 0 | 0 | 0 | 111.1 | S19 S21 K23 A29 Y64 V65 E68 | S19-V25 WeakPolarHBondContact O-CG2 3.28Å; S21-V25 WeakPolarHBondContact O-CG2 2.79Å; S21-V25 PolarHBondContact O-N 3.11Å; K23-V25 VanDerWaalsContact C-N 3.27Å; K23-V25 PolarHBondContact O-N 3.07Å; V25-A29 WeakPolarHBondContact O-CB 3.35Å; V25-A29 PolarHBondContact O-N 3.02Å; V25-Y64 VanDerWaalsContact CG1-C 3.49Å; V25-V65 HydrophobicContact CB-CG2 4.3Å; V25-V65 HydrophobicContact CG1-CG2 3.86Å; V25-E68 HydrophobicContact CG1-CB 4.48Å; V25-E68 HydrophobicContact CG1-CG 3.99Å |
| 26 | K | 92.9 | Very high | 90.6 | Very high | 90 Ų | 90 | 53.7 Ų | 53.7 | 39% | 0.391 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 178.3 | -76.9 | 167.1 | 178.2 | 160.5 | 0 | 112.8 | S22 K23 H24 S30 | S22-K26 WeakPolarHBondContact O-CB 3.42Å; S22-K26 WeakPolarHBondContact O-CD 3.39Å; S22-K26 VanDerWaalsContact O-CG 3.26Å; S22-K26 WeakPolarHBondContact O-CG 3.45Å; S22-K26 PolarHBondContact O-N 3.06Å; S22-K26 WeakPolarHBondContact OG-CE 3.47Å; S22-K26 PolarHBondContact OG-NZ 3.03Å; S22-K26 VanDerWaalsContact OG-NZ 3.15Å; K23-K26 PolarHBondContact O-N 3.41Å; K23-K26 VanDerWaalsContact O-N 3.09Å; H24-K26 PolarHBondContact O-N 3.02Å; K26-S30 VanDerWaalsContact O-CB 3.27Å; K26-S30 WeakPolarHBondContact O-CB 3.5Å; K26-S30 PolarHBondContact O-N 3.26Å; K26-S30 PolarHBondContact O-OG 3.22Å |
| 27 | D | 93.1 | Very high | 90.3 | Very high | 82 Ų | 82 | 58 Ų | 58 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | -179.3 | -66.3 | -9.5 | 0 | 0 | 0 | 110.4 | K23 H24 S30 F31 | K23-D27 WeakPolarHBondContact CE-OD2 3.41Å; K23-D27 VanDerWaalsContact CG-OD2 3.23Å; K23-D27 WeakPolarHBondContact CG-OD2 3.39Å; K23-D27 WeakPolarHBondContact O-CB 3.19Å; K23-D27 PolarHBondContact O-N 2.96Å; H24-D27 PolarHBondContact O-N 3.14Å; D27-S30 PolarHBondContact O-N 3.43Å; D27-F31 PolarHBondContact O-N 3.28Å |
| 28 | V | 93.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | K14 L15 H24 S30 F31 L32 V65 | K14-V28 HydrophobicContact CB-CG1 4.44Å; K14-V28 HydrophobicContact CB-CG2 4.49Å; K14-V28 WeakPolarHBondContact O-CG2 3.46Å; L15-V28 HydrophobicContact CD2-CG1 4.33Å; H24-V28 WeakPolarHBondContact O-CB 3.39Å; H24-V28 VanDerWaalsContact O-CG2 3.28Å; H24-V28 WeakPolarHBondContact O-CG2 3.4Å; H24-V28 PolarHBondContact O-N 3.4Å; V28-S30 VanDerWaalsContact C-N 3.29Å; V28-S30 PolarHBondContact O-N 3.14Å; V28-F31 PolarHBondContact O-N 3.45Å; V28-L32 HydrophobicContact CG1-CD1 3.86Å; V28-L32 HydrophobicContact CG1-CG 4.45Å; V28-L32 WeakPolarHBondContact O-CG 3.36Å; V28-L32 PolarHBondContact O-N 3.02Å; V28-V65 HydrophobicContact CB-CG2 4.34Å; V28-V65 HydrophobicContact CG1-CG1 4.08Å; V28-V65 HydrophobicContact CG1-CG2 4.24Å |
| 29 | A | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V25 L32 L33 V65 E68 I69 | V25-A29 WeakPolarHBondContact O-CB 3.35Å; V25-A29 PolarHBondContact O-N 3.02Å; A29-L32 PolarHBondContact O-N 3.23Å; A29-L33 WeakPolarHBondContact O-CB 3.43Å; A29-L33 WeakPolarHBondContact O-CD1 3.37Å; A29-L33 WeakPolarHBondContact O-CG 3.22Å; A29-L33 PolarHBondContact O-N 3.39Å; A29-V65 HydrophobicContact CB-CG1 4.4Å; A29-E68 HydrophobicContact CB-CB 3.59Å; A29-I69 HydrophobicContact CB-CG1 3.96Å |
| 30 | S | 91.8 | Very high | 90.2 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 179.5 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | K26 D27 V28 I34 | K26-S30 VanDerWaalsContact O-CB 3.27Å; K26-S30 WeakPolarHBondContact O-CB 3.5Å; K26-S30 PolarHBondContact O-N 3.26Å; K26-S30 PolarHBondContact O-OG 3.22Å; D27-S30 PolarHBondContact O-N 3.43Å; V28-S30 VanDerWaalsContact C-N 3.29Å; V28-S30 PolarHBondContact O-N 3.14Å; S30-I34 WeakPolarHBondContact O-CG1 3.29Å; S30-I34 PolarHBondContact O-N 3.41Å |
| 31 | F | 92 | Very high | 90.3 | Very high | 51 Ų | 51 | 57 Ų | 57 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 170.8 | 174.9 | -95.9 | 0 | 0 | 0 | 112.1 | Q10 I11 K14 D27 V28 I34 | Q10-F31 HydrophobicContact CB-CZ 4.13Å; I11-F31 HydrophobicContact CG1-CE1 4.35Å; K14-F31 HydrophobicContact CB-CD1 4.27Å; K14-F31 HydrophobicContact CB-CE1 4.32Å; K14-F31 HydrophobicContact CG-CD1 3.93Å; K14-F31 HydrophobicContact CG-CE1 3.87Å; K14-F31 HydrophobicContact CG-CG 4.42Å; K14-F31 HydrophobicContact CG-CZ 4.3Å; D27-F31 PolarHBondContact O-N 3.28Å; V28-F31 PolarHBondContact O-N 3.45Å; F31-I34 PolarHBondContact O-N 2.93Å |
| 32 | L | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.3 | -32.8 | -179.4 | -64.8 | 171.9 | 0 | 0 | 0 | 112.7 | I11 L15 V28 A29 I34 Q35 I42 V65 I69 F81 | I11-L32 HydrophobicContact CG1-CD2 4.06Å; I11-L32 HydrophobicContact CG2-CD2 4.09Å; L15-L32 HydrophobicContact CD2-CD1 3.81Å; L15-L32 HydrophobicContact CG-CD1 4.27Å; V28-L32 HydrophobicContact CG1-CD1 3.86Å; V28-L32 HydrophobicContact CG1-CG 4.45Å; V28-L32 WeakPolarHBondContact O-CG 3.36Å; V28-L32 PolarHBondContact O-N 3.02Å; A29-L32 PolarHBondContact O-N 3.23Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.19Å; L32-Q35 CarbonylContact O-C 3.56Å; L32-Q35 WeakPolarHBondContact O-CA 3.43Å; L32-Q35 PolarHBondContact O-N 2.64Å; L32-I42 HydrophobicContact CB-CD1 4.49Å; L32-I42 HydrophobicContact CB-CG2 4.42Å; L32-I42 HydrophobicContact CD1-CG2 4.19Å; L32-I42 HydrophobicContact CD2-CD1 4.15Å; L32-I42 HydrophobicContact CD2-CG1 4.15Å; L32-I42 HydrophobicContact CD2-CG2 3.94Å; L32-I42 HydrophobicContact CG-CG2 4.4Å; L32-V65 HydrophobicContact CD1-CG1 4.16Å; L32-I69 HydrophobicContact CB-CD1 4.02Å; L32-I69 HydrophobicContact CD1-CD1 3.9Å; L32-F81 WeakPolarHBondContact O-CZ 3.5Å |
| 33 | L | 90.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -27.4 | 174.9 | -76.9 | 161.5 | 0 | 0 | 0 | 113.5 | A29 Q35 I69 K72 Y76 F81 | A29-L33 WeakPolarHBondContact O-CB 3.43Å; A29-L33 WeakPolarHBondContact O-CD1 3.37Å; A29-L33 WeakPolarHBondContact O-CG 3.22Å; A29-L33 PolarHBondContact O-N 3.39Å; L33-Q35 PolarHBondContact O-N 3.33Å; L33-I69 HydrophobicContact CD2-CG2 4.11Å; L33-I69 HydrophobicContact CG-CG1 4.46Å; L33-K72 HydrophobicContact CD1-CB 3.57Å; L33-K72 HydrophobicContact CD1-CD 3.68Å; L33-K72 HydrophobicContact CD1-CG 4.29Å; L33-K72 HydrophobicContact CD2-CB 4.48Å; L33-Y76 HydrophobicContact CD1-CD2 4.17Å; L33-Y76 HydrophobicContact CD1-CE2 3.95Å; L33-Y76 HydrophobicContact CD2-CD2 4.35Å; L33-F81 HydrophobicContact CD2-CD2 4.26Å; L33-F81 HydrophobicContact CD2-CE2 4.23Å |
| 34 | I | 89.2 | Confident | 90.6 | Very high | 140 Ų | 140 | 47.7 Ų | 47.7 | 72% | 0.718 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.4 | -24.9 | 171.7 | -66 | 162.7 | 0 | 0 | 0 | 111 | S30 F31 L32 A36 | S30-I34 WeakPolarHBondContact O-CG1 3.29Å; S30-I34 PolarHBondContact O-N 3.41Å; F31-I34 PolarHBondContact O-N 2.93Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.19Å; I34-A36 VanDerWaalsContact C-N 3.34Å; I34-A36 PolarHBondContact O-N 2.99Å |
| 35 | Q | 85.3 | Confident | 90.6 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 34.8 | -174.9 | -64.5 | 167.8 | 5.5 | 0 | 0 | 111.7 | L7 L32 L33 E37 H38 I42 | L7-Q35 HydrophobicContact CD1-CG 4.26Å; L32-Q35 CarbonylContact O-C 3.56Å; L32-Q35 WeakPolarHBondContact O-CA 3.43Å; L32-Q35 PolarHBondContact O-N 2.64Å; L33-Q35 PolarHBondContact O-N 3.33Å; Q35-E37 VanDerWaalsContact C-N 3.27Å; Q35-E37 PolarHBondContact O-N 3.32Å; Q35-H38 PolarHBondContact O-N 3.33Å; Q35-I42 HydrophobicContact CB-CD1 3.83Å; Q35-I42 VanDerWaalsContact O-CD1 3.31Å; Q35-I42 WeakPolarHBondContact O-CD1 3.41Å |
| 36 | A | 85.3 | Confident | 90.6 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -47.2 | -44.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I34 H38 S39 V78 F81 | I34-A36 VanDerWaalsContact C-N 3.34Å; I34-A36 PolarHBondContact O-N 2.99Å; A36-H38 PolarHBondContact O-N 3.41Å; A36-S39 VanDerWaalsContact O-CB 3.23Å; A36-S39 WeakPolarHBondContact O-CB 3.29Å; A36-S39 PolarHBondContact O-N 2.93Å; A36-S39 PolarHBondContact O-OG 2.99Å; A36-V78 HydrophobicContact CB-CB 4.25Å; A36-V78 HydrophobicContact CB-CG1 3.61Å; A36-V78 HydrophobicContact CB-CG2 3.56Å; A36-F81 HydrophobicContact CB-CE2 4.43Å |
| 37 | E | 85.1 | Confident | 90.6 | Very high | 171 Ų | 171 | 40.6 Ų | 40.6 | 80% | 0.799 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -59.7 | -6.5 | 179.2 | -55.6 | -179 | 174.9 | 0 | 0 | 114.1 | Q35 | Q35-E37 VanDerWaalsContact C-N 3.27Å; Q35-E37 PolarHBondContact O-N 3.32Å |
| 38 | H | 87.1 | Confident | 90.6 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -122.4 | 22.6 | 177.9 | -54 | -51.1 | 0 | 0 | 0 | 112.3 | L7 Q35 A36 D40 F41 I42 | L7-H38 WeakPolarHBondContact CD2-CD2 3.42Å; L7-H38 WeakPolarHBondContact CD2-NE2 3.22Å; Q35-H38 PolarHBondContact O-N 3.33Å; A36-H38 PolarHBondContact O-N 3.41Å; H38-D40 VanDerWaalsContact C-N 3.34Å; H38-D40 PolarHBondContact O-N 3.44Å; H38-F41 HydrophobicContact CB-CB 4.44Å; H38-F41 CarbonylContact O-C 3.59Å; H38-F41 WeakPolarHBondContact O-CA 3.39Å; H38-F41 PolarHBondContact O-N 3.07Å; H38-I42 HydrophobicContact CB-CD1 4.36Å; H38-I42 HydrophobicContact CB-CG1 4.5Å; H38-I42 WeakPolarHBondContact O-CG1 3.42Å; H38-I42 PolarHBondContact O-N 2.94Å |
| 39 | S | 90.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -48.3 | -46.3 | -179.1 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | A36 S43 E80 | A36-S39 VanDerWaalsContact O-CB 3.23Å; A36-S39 WeakPolarHBondContact O-CB 3.29Å; A36-S39 PolarHBondContact O-N 2.93Å; A36-S39 PolarHBondContact O-OG 2.99Å; S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.2Å; S39-S43 PolarHBondContact O-OG 2.86Å; S39-E80 WeakPolarHBondContact OG-CB 3.2Å; S39-E80 PolarHBondContact OG-OE2 2.91Å |
| 40 | D | 89.2 | Confident | 90.5 | Very high | 114 Ų | 114 | 41 Ų | 41 | 61% | 0.61 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61 | -43.1 | 174.1 | -72.7 | -35.5 | 0 | 0 | 0 | 113.1 | H38 S43 S44 | H38-D40 VanDerWaalsContact C-N 3.34Å; H38-D40 PolarHBondContact O-N 3.44Å; D40-S43 PolarHBondContact O-N 3.14Å; D40-S44 WeakPolarHBondContact O-CB 3.37Å; D40-S44 PolarHBondContact O-N 2.87Å; D40-S44 PolarHBondContact O-OG 3.15Å |
| 41 | F | 90.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.6 | -40.9 | -179.3 | 171.2 | -102.8 | 0 | 0 | 0 | 111.7 | R8 I11 H38 S43 S44 Q45 | R8-F41 HydrophobicContact CB-CE1 4.06Å; R8-F41 HydrophobicContact CB-CZ 3.6Å; R8-F41 VanDerWaalsContact CD-CE2 3.5Å; R8-F41 HydrophobicContact CG-CE1 3.74Å; R8-F41 HydrophobicContact CG-CE2 4.01Å; R8-F41 HydrophobicContact CG-CZ 3.34Å; R8-F41 VanDerWaalsContact CZ-CE2 3.49Å; I11-F41 HydrophobicContact CD1-CD1 3.94Å; I11-F41 HydrophobicContact CD1-CE1 3.74Å; I11-F41 HydrophobicContact CG2-CE1 4.48Å; H38-F41 HydrophobicContact CB-CB 4.44Å; H38-F41 CarbonylContact O-C 3.59Å; H38-F41 WeakPolarHBondContact O-CA 3.39Å; H38-F41 PolarHBondContact O-N 3.07Å; F41-S43 VanDerWaalsContact C-N 3.35Å; F41-S44 WeakPolarHBondContact O-CB 3.39Å; F41-S44 PolarHBondContact O-N 3.39Å; F41-Q45 HydrophobicContact CD2-CG 4.34Å; F41-Q45 HydrophobicContact CE1-CG 3.84Å; F41-Q45 HydrophobicContact CE2-CG 3.55Å; F41-Q45 HydrophobicContact CZ-CG 3.24Å; F41-Q45 PolarHBondContact O-N 2.91Å |
| 42 | I | 92.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 173.4 | -70 | 165.4 | 0 | 0 | 0 | 109.9 | I11 L32 Q35 H38 S44 Q45 W46 F81 | I11-I42 HydrophobicContact CD1-CD1 4.41Å; I11-I42 HydrophobicContact CD1-CG1 3.79Å; I11-I42 HydrophobicContact CG1-CG1 4.41Å; I11-I42 HydrophobicContact CG2-CG1 4.35Å; L32-I42 HydrophobicContact CB-CD1 4.49Å; L32-I42 HydrophobicContact CB-CG2 4.42Å; L32-I42 HydrophobicContact CD1-CG2 4.19Å; L32-I42 HydrophobicContact CD2-CD1 4.15Å; L32-I42 HydrophobicContact CD2-CG1 4.15Å; L32-I42 HydrophobicContact CD2-CG2 3.94Å; L32-I42 HydrophobicContact CG-CG2 4.4Å; Q35-I42 HydrophobicContact CB-CD1 3.83Å; Q35-I42 VanDerWaalsContact O-CD1 3.31Å; Q35-I42 WeakPolarHBondContact O-CD1 3.41Å; H38-I42 HydrophobicContact CB-CD1 4.36Å; H38-I42 HydrophobicContact CB-CG1 4.5Å; H38-I42 WeakPolarHBondContact O-CG1 3.42Å; H38-I42 PolarHBondContact O-N 2.94Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.08Å; I42-Q45 PolarHBondContact O-N 2.78Å; I42-W46 VanDerWaalsContact O-CB 3.31Å; I42-W46 WeakPolarHBondContact O-CB 3.37Å; I42-W46 PolarHBondContact O-N 3.38Å; I42-F81 HydrophobicContact CB-CE1 4.23Å; I42-F81 HydrophobicContact CD1-CE1 4.13Å; I42-F81 HydrophobicContact CD1-CZ 3.92Å; I42-F81 HydrophobicContact CG2-CE1 4.03Å |
| 43 | S | 92.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 177.9 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | S39 D40 F41 L47 A84 L85 | S39-S43 VanDerWaalsContact O-CB 3.31Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.2Å; S39-S43 PolarHBondContact O-OG 2.86Å; D40-S43 PolarHBondContact O-N 3.14Å; F41-S43 VanDerWaalsContact C-N 3.35Å; S43-L47 PolarHBondContact O-N 3.07Å; S43-A84 WeakPolarHBondContact CB-O 3.26Å; S43-A84 WeakPolarHBondContact OG-CB 3.25Å; S43-L85 WeakPolarHBondContact OG-CD2 3.45Å |
| 44 | S | 92 | Very high | 89.3 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 47% | 0.469 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174.4 | -59.9 | 0 | 0 | 0 | 0 | 113.1 | D40 F41 I42 L47 E48 | D40-S44 WeakPolarHBondContact O-CB 3.37Å; D40-S44 PolarHBondContact O-N 2.87Å; D40-S44 PolarHBondContact O-OG 3.15Å; F41-S44 WeakPolarHBondContact O-CB 3.39Å; F41-S44 PolarHBondContact O-N 3.39Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.08Å; S44-L47 PolarHBondContact O-N 3.5Å; S44-E48 PolarHBondContact O-N 2.78Å |
| 45 | Q | 91.1 | Very high | 89.1 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.5 | -39 | 175.4 | -73 | -60.6 | -87.3 | 0 | 0 | 112.6 | I11 L15 F41 I42 L47 E48 I49 | I11-Q45 HydrophobicContact CG2-CB 4.22Å; I11-Q45 HydrophobicContact CG2-CG 4.46Å; L15-Q45 HydrophobicContact CD1-CB 4.3Å; F41-Q45 HydrophobicContact CD2-CG 4.34Å; F41-Q45 HydrophobicContact CE1-CG 3.84Å; F41-Q45 HydrophobicContact CE2-CG 3.55Å; F41-Q45 HydrophobicContact CZ-CG 3.24Å; F41-Q45 PolarHBondContact O-N 2.91Å; I42-Q45 PolarHBondContact O-N 2.78Å; Q45-L47 VanDerWaalsContact C-N 3.27Å; Q45-L47 PolarHBondContact O-N 2.88Å; Q45-E48 PolarHBondContact NE2-OE2 3.36Å; Q45-E48 PolarHBondContact O-N 3.41Å; Q45-I49 WeakPolarHBondContact O-CB 3.3Å; Q45-I49 VanDerWaalsContact O-CG1 3.29Å; Q45-I49 WeakPolarHBondContact O-CG1 3.3Å; Q45-I49 PolarHBondContact O-N 3.46Å |
| 46 | W | 94.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 173 | -177.2 | 101.8 | 0 | 0 | 0 | 110.5 | L15 I42 F50 L62 L63 A66 V88 A92 | L15-W46 HydrophobicContact CD1-CB 4.23Å; I42-W46 VanDerWaalsContact O-CB 3.31Å; I42-W46 WeakPolarHBondContact O-CB 3.37Å; I42-W46 PolarHBondContact O-N 3.38Å; W46-F50 HydrophobicContact CE3-CB 4.35Å; W46-F50 AromaticContact CH2-CD2 3.55Å; W46-F50 HydrophobicContact CH2-CD2 3.55Å; W46-F50 AromaticContact CH2-CE2 3.97Å; W46-F50 HydrophobicContact CH2-CE2 3.97Å; W46-F50 HydrophobicContact CH2-CG 4.12Å; W46-F50 AromaticContact CZ2-CD2 3.84Å; W46-F50 HydrophobicContact CZ2-CD2 3.84Å; W46-F50 HydrophobicContact CZ2-CE2 4.31Å; W46-F50 HydrophobicContact CZ3-CB 4.21Å; W46-F50 HydrophobicContact CZ3-CD2 4.06Å; W46-F50 HydrophobicContact CZ3-CG 4.18Å; W46-F50 VanDerWaalsContact O-CB 3.25Å; W46-F50 WeakPolarHBondContact O-CB 2.89Å; W46-F50 PolarHBondContact O-N 3.18Å; W46-L62 HydrophobicContact CZ2-CB 3.94Å; W46-L62 PolarHBondContact NE1-O 3.32Å; W46-L63 HydrophobicContact CH2-CD2 3.94Å; W46-L63 HydrophobicContact CH2-CG 4.4Å; W46-L63 HydrophobicContact CZ2-CD2 4.05Å; W46-L63 HydrophobicContact CZ2-CG 4.21Å; W46-A66 HydrophobicContact CZ2-CB 4.06Å; W46-V88 HydrophobicContact CD2-CG1 4.46Å; W46-V88 HydrophobicContact CE3-CG1 3.39Å; W46-V88 HydrophobicContact CZ3-CG1 3.66Å; W46-A92 HydrophobicContact CH2-CB 4.03Å; W46-A92 HydrophobicContact CZ3-CB 3.8Å |
| 47 | L | 93.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 177.4 | -172.2 | 57.5 | 0 | 0 | 0 | 113.3 | S43 S44 Q45 F50 K51 V88 Q91 A92 | S43-L47 PolarHBondContact O-N 3.07Å; S44-L47 PolarHBondContact O-N 3.5Å; Q45-L47 VanDerWaalsContact C-N 3.27Å; Q45-L47 PolarHBondContact O-N 2.88Å; L47-F50 PolarHBondContact O-N 3.41Å; L47-K51 HydrophobicContact CD1-CD 4.34Å; L47-K51 HydrophobicContact CD1-CG 4.22Å; L47-K51 HydrophobicContact CG-CD 4.11Å; L47-K51 HydrophobicContact CG-CG 4.42Å; L47-K51 WeakPolarHBondContact O-CB 3.24Å; L47-K51 VanDerWaalsContact O-CG 3.3Å; L47-K51 WeakPolarHBondContact O-CG 3.14Å; L47-K51 PolarHBondContact O-N 2.92Å; L47-V88 HydrophobicContact CB-CG1 3.93Å; L47-V88 HydrophobicContact CB-CG2 4.26Å; L47-V88 HydrophobicContact CD1-CG1 4.41Å; L47-V88 HydrophobicContact CD2-CG2 4.08Å; L47-Q91 HydrophobicContact CD1-CB 4.15Å; L47-Q91 HydrophobicContact CD2-CB 3.96Å; L47-Q91 HydrophobicContact CD2-CG 4.45Å; L47-A92 HydrophobicContact CD1-CB 4.07Å |
| 48 | E | 92.2 | Very high | 89.4 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.4 | -165.1 | -166.1 | 148.1 | 0 | 0 | 110.8 | R12 S44 Q45 K51 A52 | R12-E48 IonicContact CZ-OE1 2.8Å; R12-E48 IonicContact CZ-OE2 3.22Å; R12-E48 IonicContact NH1-OE1 3.31Å; R12-E48 PolarHBondContact NH1-OE1 3.18Å; R12-E48 IonicContact NH1-OE2 2.81Å; R12-E48 PolarHBondContact NH1-OE2 3.49Å; R12-E48 IonicContact NH2-OE1 3.56Å; R12-E48 PolarHBondContact NH2-OE1 2.78Å; S44-E48 PolarHBondContact O-N 2.78Å; Q45-E48 PolarHBondContact NE2-OE2 3.36Å; Q45-E48 PolarHBondContact O-N 3.41Å; E48-K51 PolarHBondContact O-N 3.37Å; E48-A52 WeakPolarHBondContact O-CB 3.35Å; E48-A52 PolarHBondContact O-N 3.06Å |
| 49 | I | 91.4 | Very high | 89.6 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -37.3 | 178.8 | -64.5 | 167.3 | 0 | 0 | 0 | 110.9 | R12 L15 Q45 A52 S53 F58 L62 | R12-I49 HydrophobicContact CG-CD1 4.07Å; L15-I49 HydrophobicContact CB-CD1 3.42Å; L15-I49 VanDerWaalsContact CB-CD1 3.42Å; L15-I49 HydrophobicContact CD1-CD1 4.07Å; L15-I49 HydrophobicContact CG-CD1 4.4Å; Q45-I49 WeakPolarHBondContact O-CB 3.3Å; Q45-I49 VanDerWaalsContact O-CG1 3.29Å; Q45-I49 WeakPolarHBondContact O-CG1 3.3Å; Q45-I49 PolarHBondContact O-N 3.46Å; I49-A52 PolarHBondContact O-N 2.81Å; I49-S53 WeakPolarHBondContact O-CB 3.34Å; I49-S53 PolarHBondContact O-N 3.33Å; I49-F58 HydrophobicContact CG2-CE1 3.79Å; I49-F58 HydrophobicContact CG2-CZ 3.89Å; I49-L62 HydrophobicContact CG2-CD1 4.24Å |
| 50 | F | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 174.1 | -166.7 | -80.5 | 0 | 0 | 0 | 111.5 | W46 L47 A52 S53 Q59 L62 L63 A92 F95 L96 | W46-F50 HydrophobicContact CE3-CB 4.35Å; W46-F50 AromaticContact CH2-CD2 3.55Å; W46-F50 HydrophobicContact CH2-CD2 3.55Å; W46-F50 AromaticContact CH2-CE2 3.97Å; W46-F50 HydrophobicContact CH2-CE2 3.97Å; W46-F50 HydrophobicContact CH2-CG 4.12Å; W46-F50 AromaticContact CZ2-CD2 3.84Å; W46-F50 HydrophobicContact CZ2-CD2 3.84Å; W46-F50 HydrophobicContact CZ2-CE2 4.31Å; W46-F50 HydrophobicContact CZ3-CB 4.21Å; W46-F50 HydrophobicContact CZ3-CD2 4.06Å; W46-F50 HydrophobicContact CZ3-CG 4.18Å; W46-F50 VanDerWaalsContact O-CB 3.25Å; W46-F50 WeakPolarHBondContact O-CB 2.89Å; W46-F50 PolarHBondContact O-N 3.18Å; L47-F50 PolarHBondContact O-N 3.41Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 2.64Å; F50-S53 PolarHBondContact O-N 3.3Å; F50-S53 PolarHBondContact O-OG 3.48Å; F50-Q59 HydrophobicContact CD2-CB 4.43Å; F50-Q59 HydrophobicContact CD2-CG 4.43Å; F50-Q59 HydrophobicContact CE1-CG 4.16Å; F50-Q59 HydrophobicContact CE2-CB 3.66Å; F50-Q59 HydrophobicContact CE2-CG 3.94Å; F50-Q59 HydrophobicContact CZ-CB 3.76Å; F50-Q59 HydrophobicContact CZ-CG 3.8Å; F50-L62 HydrophobicContact CB-CD1 4.01Å; F50-L62 HydrophobicContact CD2-CB 4.11Å; F50-L62 HydrophobicContact CD2-CD1 3.83Å; F50-L62 HydrophobicContact CG-CD1 4.34Å; F50-L63 HydrophobicContact CE2-CD1 3.93Å; F50-L63 HydrophobicContact CE2-CG 3.94Å; F50-L63 HydrophobicContact CZ-CD1 4.23Å; F50-A92 HydrophobicContact CD1-CB 3.8Å; F50-A92 HydrophobicContact CE1-CB 3.79Å; F50-A92 WeakPolarHBondContact CE1-O 3.27Å; F50-A92 HydrophobicContact CG-CB 4.24Å; F50-A92 HydrophobicContact CZ-CB 4.2Å; F50-F95 HydrophobicContact CD1-CB 4.37Å; F50-F95 HydrophobicContact CE1-CB 4.21Å; F50-L96 HydrophobicContact CZ-CD2 3.85Å |
| 51 | K | 90.4 | Very high | 89.7 | Confident | 82 Ų | 82 | 37.5 Ų | 37.5 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.1 | -35.7 | 177.5 | -74.8 | 175.8 | 178.7 | 176.8 | 0 | 112.6 | L47 E48 S53 F95 | L47-K51 HydrophobicContact CD1-CD 4.34Å; L47-K51 HydrophobicContact CD1-CG 4.22Å; L47-K51 HydrophobicContact CG-CD 4.11Å; L47-K51 HydrophobicContact CG-CG 4.42Å; L47-K51 WeakPolarHBondContact O-CB 3.24Å; L47-K51 VanDerWaalsContact O-CG 3.3Å; L47-K51 WeakPolarHBondContact O-CG 3.14Å; L47-K51 PolarHBondContact O-N 2.92Å; E48-K51 PolarHBondContact O-N 3.37Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.22Å; K51-F95 HydrophobicContact CD-CE1 4.39Å; K51-F95 HydrophobicContact CD-CE2 4.14Å; K51-F95 HydrophobicContact CD-CZ 4.03Å; K51-F95 VanDerWaalsContact CE-CE2 3.44Å; K51-F95 HydrophobicContact CG-CD1 4.05Å; K51-F95 HydrophobicContact CG-CD2 3.93Å; K51-F95 HydrophobicContact CG-CE1 4.05Å; K51-F95 HydrophobicContact CG-CE2 3.97Å; K51-F95 HydrophobicContact CG-CG 4.01Å; K51-F95 HydrophobicContact CG-CZ 4.03Å |
| 52 | A | 88 | Confident | 89.8 | Confident | 81 Ų | 81 | 36 Ų | 36 | 67% | 0.669 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E48 I49 F50 | E48-A52 WeakPolarHBondContact O-CB 3.35Å; E48-A52 PolarHBondContact O-N 3.06Å; I49-A52 PolarHBondContact O-N 2.81Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 2.64Å |
| 53 | S | 85.3 | Confident | 89.8 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | -96.1 | 105.7 | -172.3 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | I49 F50 K51 N55 Q59 | I49-S53 WeakPolarHBondContact O-CB 3.34Å; I49-S53 PolarHBondContact O-N 3.33Å; F50-S53 PolarHBondContact O-N 3.3Å; F50-S53 PolarHBondContact O-OG 3.48Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.22Å; S53-N55 PolarHBondContact O-N 3.02Å; S53-Q59 PolarHBondContact O-NE2 3.43Å; S53-Q59 VanDerWaalsContact OG-CG 3.31Å; S53-Q59 WeakPolarHBondContact OG-CG 3.28Å | ||
| 54 | N | 79 | Confident | 89.9 | Confident | 124 Ų | 124 | 39.3 Ų | 39.3 | 66% | 0.663 | 22% | 0.221 | S | C | * | . | trans | -75.8 | -7.2 | 175.9 | -75.3 | 4.3 | 0 | 0 | 0 | 114.2 | ||||
| 55 | N | 85.1 | Confident | 90 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 48% | 0.476 | 20% | 0.198 | S | C | . | . | trans | -100.8 | 116.3 | -172.4 | -177.7 | -25.1 | 0 | 0 | 0 | 111.5 | S53 S57 F58 Q59 | S53-N55 PolarHBondContact O-N 3.02Å; N55-S57 VanDerWaalsContact C-N 3.31Å; N55-S57 PolarHBondContact O-N 2.9Å; N55-S57 WeakPolarHBondContact OD1-CB 3.49Å; N55-S57 PolarHBondContact OD1-N 3.14Å; N55-F58 HydrophobicContact CB-CB 4.11Å; N55-F58 WeakPolarHBondContact O-CB 3.23Å; N55-F58 PolarHBondContact O-N 3.42Å; N55-F58 VanDerWaalsContact O-N 3.11Å; N55-Q59 PolarHBondContact O-N 2.95Å | ||
| 56 | P | 85.1 | Confident | 90.1 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -29.2 | -176.4 | 26.5 | -34.6 | 0 | 0 | 0 | 113.7 | F58 Q59 L60 F101 | P56-F58 VanDerWaalsContact C-N 3.28Å; P56-F58 PolarHBondContact O-N 3.33Å; P56-Q59 PolarHBondContact O-N 3.2Å; P56-L60 WeakPolarHBondContact O-CB 3.34Å; P56-L60 PolarHBondContact O-N 3.3Å; P56-F101 HydrophobicContact CB-CD1 3.73Å; P56-F101 HydrophobicContact CB-CE1 3.42Å; P56-F101 VanDerWaalsContact CB-CE1 3.42Å; P56-F101 HydrophobicContact CB-CZ 4Å |
| 57 | S | 86.1 | Confident | 90 | Very high | 64 Ų | 64 | 36 Ų | 36 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.7 | -31 | 175.5 | -63 | 0 | 0 | 0 | 0 | 112.1 | L20 N55 A61 | L20-S57 WeakPolarHBondContact CD2-O 3.23Å; L20-S57 WeakPolarHBondContact CG-O 3.35Å; N55-S57 VanDerWaalsContact C-N 3.31Å; N55-S57 PolarHBondContact O-N 2.9Å; N55-S57 WeakPolarHBondContact OD1-CB 3.49Å; N55-S57 PolarHBondContact OD1-N 3.14Å; S57-A61 PolarHBondContact O-N 3.25Å; S57-A61 VanDerWaalsContact O-N 3.16Å |
| 58 | F | 89.9 | Confident | 90.1 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.1 | -41.4 | 176.1 | -178 | -91.6 | 0 | 0 | 0 | 111.7 | L15 T16 V18 I49 N55 P56 L60 A61 L62 | L15-F58 WeakPolarHBondContact O-CZ 3.48Å; T16-F58 WeakPolarHBondContact O-CE2 3.26Å; V18-F58 HydrophobicContact CG1-CD2 3.95Å; V18-F58 HydrophobicContact CG1-CE2 3.52Å; V18-F58 HydrophobicContact CG1-CZ 3.94Å; I49-F58 HydrophobicContact CG2-CE1 3.79Å; I49-F58 HydrophobicContact CG2-CZ 3.89Å; N55-F58 HydrophobicContact CB-CB 4.11Å; N55-F58 WeakPolarHBondContact O-CB 3.23Å; N55-F58 PolarHBondContact O-N 3.42Å; N55-F58 VanDerWaalsContact O-N 3.11Å; P56-F58 VanDerWaalsContact C-N 3.28Å; P56-F58 PolarHBondContact O-N 3.33Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 PolarHBondContact O-N 2.93Å; F58-A61 WeakPolarHBondContact O-CB 3.5Å; F58-A61 PolarHBondContact O-N 2.99Å; F58-A61 VanDerWaalsContact O-N 3.08Å; F58-L62 HydrophobicContact CD1-CD1 3.89Å; F58-L62 HydrophobicContact CD1-CG 4.31Å; F58-L62 HydrophobicContact CE1-CD1 3.57Å; F58-L62 HydrophobicContact CE1-CG 4.04Å; F58-L62 HydrophobicContact CZ-CD1 4.38Å; F58-L62 HydrophobicContact CZ-CG 4.48Å; F58-L62 PolarHBondContact O-N 3.13Å |
| 59 | Q | 91 | Very high | 90.1 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.6 | -44.3 | 168.6 | -70.9 | -173.6 | -6.4 | 0 | 0 | 111.4 | F50 S53 N55 P56 L62 L63 F95 | F50-Q59 HydrophobicContact CD2-CB 4.43Å; F50-Q59 HydrophobicContact CD2-CG 4.43Å; F50-Q59 HydrophobicContact CE1-CG 4.16Å; F50-Q59 HydrophobicContact CE2-CB 3.66Å; F50-Q59 HydrophobicContact CE2-CG 3.94Å; F50-Q59 HydrophobicContact CZ-CB 3.76Å; F50-Q59 HydrophobicContact CZ-CG 3.8Å; S53-Q59 PolarHBondContact O-NE2 3.43Å; S53-Q59 VanDerWaalsContact OG-CG 3.31Å; S53-Q59 WeakPolarHBondContact OG-CG 3.28Å; N55-Q59 PolarHBondContact O-N 2.95Å; P56-Q59 PolarHBondContact O-N 3.2Å; Q59-L62 PolarHBondContact O-N 3.3Å; Q59-L63 WeakPolarHBondContact O-CD1 3.46Å; Q59-L63 WeakPolarHBondContact O-CG 3.48Å; Q59-L63 PolarHBondContact O-N 3.41Å; Q59-F95 PolarHBondContact NE2-O 3.36Å |
| 60 | L | 90.6 | Very high | 90 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.7 | -176.4 | 65.7 | 0 | 0 | 0 | 112.7 | L20 P56 F58 L63 Y64 F101 K104 | L20-L60 HydrophobicContact CD2-CB 4.19Å; L20-L60 HydrophobicContact CD2-CD2 3.98Å; L20-L60 HydrophobicContact CD2-CG 3.98Å; P56-L60 WeakPolarHBondContact O-CB 3.34Å; P56-L60 PolarHBondContact O-N 3.3Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 PolarHBondContact O-N 2.93Å; L60-L63 PolarHBondContact O-N 3.15Å; L60-Y64 HydrophobicContact CD1-CE1 3.99Å; L60-Y64 HydrophobicContact CD1-CE2 4.07Å; L60-Y64 HydrophobicContact CD2-CE2 4Å; L60-Y64 HydrophobicContact CG-CD2 4.24Å; L60-Y64 HydrophobicContact CG-CE1 4.5Å; L60-Y64 HydrophobicContact CG-CE2 3.69Å; L60-Y64 PolarHBondContact O-N 2.8Å; L60-F101 HydrophobicContact CB-CD2 4.49Å; L60-F101 HydrophobicContact CD1-CD2 4.45Å; L60-F101 HydrophobicContact CD2-CB 4.29Å; L60-K104 HydrophobicContact CD1-CB 4.43Å; L60-K104 HydrophobicContact CD2-CD 4Å |
| 61 | A | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V18 L20 S57 F58 L63 Y64 V65 | V18-A61 HydrophobicContact CG1-CB 4.12Å; V18-A61 HydrophobicContact CG2-CB 4.11Å; L20-A61 HydrophobicContact CD2-CB 3.89Å; L20-A61 HydrophobicContact CG-CB 4.19Å; S57-A61 PolarHBondContact O-N 3.25Å; S57-A61 VanDerWaalsContact O-N 3.16Å; F58-A61 WeakPolarHBondContact O-CB 3.5Å; F58-A61 PolarHBondContact O-N 2.99Å; F58-A61 VanDerWaalsContact O-N 3.08Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-L63 PolarHBondContact O-N 3.43Å; A61-Y64 PolarHBondContact O-N 2.89Å; A61-V65 PolarHBondContact O-N 2.93Å |
| 62 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 172.2 | -76.1 | 173.9 | 0 | 0 | 0 | 112.1 | L15 V18 W46 I49 F50 F58 Q59 V65 A66 | L15-L62 HydrophobicContact CD2-CD2 4.05Å; V18-L62 HydrophobicContact CG1-CD2 3.86Å; V18-L62 HydrophobicContact CG1-CG 4.02Å; W46-L62 HydrophobicContact CZ2-CB 3.94Å; W46-L62 PolarHBondContact NE1-O 3.32Å; I49-L62 HydrophobicContact CG2-CD1 4.24Å; F50-L62 HydrophobicContact CB-CD1 4.01Å; F50-L62 HydrophobicContact CD2-CB 4.11Å; F50-L62 HydrophobicContact CD2-CD1 3.83Å; F50-L62 HydrophobicContact CG-CD1 4.34Å; F58-L62 HydrophobicContact CD1-CD1 3.89Å; F58-L62 HydrophobicContact CD1-CG 4.31Å; F58-L62 HydrophobicContact CE1-CD1 3.57Å; F58-L62 HydrophobicContact CE1-CG 4.04Å; F58-L62 HydrophobicContact CZ-CD1 4.38Å; F58-L62 HydrophobicContact CZ-CG 4.48Å; F58-L62 PolarHBondContact O-N 3.13Å; Q59-L62 PolarHBondContact O-N 3.3Å; L62-V65 PolarHBondContact O-N 2.91Å; L62-A66 PolarHBondContact O-N 3.48Å |
| 63 | L | 92.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67 | -34.1 | 176.5 | -75 | 160.2 | 0 | 0 | 0 | 112.5 | W46 F50 Q59 L60 A61 A66 N67 L96 L105 L108 | W46-L63 HydrophobicContact CH2-CD2 3.94Å; W46-L63 HydrophobicContact CH2-CG 4.4Å; W46-L63 HydrophobicContact CZ2-CD2 4.05Å; W46-L63 HydrophobicContact CZ2-CG 4.21Å; F50-L63 HydrophobicContact CE2-CD1 3.93Å; F50-L63 HydrophobicContact CE2-CG 3.94Å; F50-L63 HydrophobicContact CZ-CD1 4.23Å; Q59-L63 WeakPolarHBondContact O-CD1 3.46Å; Q59-L63 WeakPolarHBondContact O-CG 3.48Å; Q59-L63 PolarHBondContact O-N 3.41Å; L60-L63 PolarHBondContact O-N 3.15Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-L63 PolarHBondContact O-N 3.43Å; L63-A66 PolarHBondContact O-N 2.99Å; L63-N67 WeakPolarHBondContact O-CB 3.38Å; L63-N67 PolarHBondContact O-N 3.41Å; L63-L96 HydrophobicContact CD1-CD2 4.28Å; L63-L105 HydrophobicContact CD1-CD1 4.05Å; L63-L105 HydrophobicContact CD1-CD2 4.45Å; L63-L108 HydrophobicContact CB-CD2 4.27Å |
| 64 | Y | 93.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 33.1 Ų | 33.1 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.8 | -34.5 | 170.9 | -66.9 | -30.4 | 0 | 0 | 0 | 112.8 | L20 V25 L60 A61 N67 E68 L108 | L20-Y64 HydrophobicContact CD2-CD2 3.99Å; L20-Y64 HydrophobicContact CD2-CE2 3.94Å; V25-Y64 VanDerWaalsContact CG1-C 3.49Å; L60-Y64 HydrophobicContact CD1-CE1 3.99Å; L60-Y64 HydrophobicContact CD1-CE2 4.07Å; L60-Y64 HydrophobicContact CD2-CE2 4Å; L60-Y64 HydrophobicContact CG-CD2 4.24Å; L60-Y64 HydrophobicContact CG-CE1 4.5Å; L60-Y64 HydrophobicContact CG-CE2 3.69Å; L60-Y64 PolarHBondContact O-N 2.8Å; A61-Y64 PolarHBondContact O-N 2.89Å; Y64-N67 PolarHBondContact O-N 2.87Å; Y64-E68 PolarHBondContact O-N 3.38Å; Y64-L108 HydrophobicContact CD1-CD1 4.47Å; Y64-L108 HydrophobicContact CD1-CD2 4.33Å; Y64-L108 HydrophobicContact CE1-CD2 4.49Å |
| 65 | V | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 170.7 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | V18 V25 V28 A29 L32 A61 L62 N67 E68 I69 | V18-V65 HydrophobicContact CG2-CG2 3.56Å; V25-V65 HydrophobicContact CB-CG2 4.3Å; V25-V65 HydrophobicContact CG1-CG2 3.86Å; V28-V65 HydrophobicContact CB-CG2 4.34Å; V28-V65 HydrophobicContact CG1-CG1 4.08Å; V28-V65 HydrophobicContact CG1-CG2 4.24Å; A29-V65 HydrophobicContact CB-CG1 4.4Å; L32-V65 HydrophobicContact CD1-CG1 4.16Å; A61-V65 PolarHBondContact O-N 2.93Å; L62-V65 PolarHBondContact O-N 2.91Å; V65-N67 VanDerWaalsContact C-N 3.29Å; V65-N67 PolarHBondContact O-N 3.12Å; V65-E68 PolarHBondContact O-N 2.64Å; V65-I69 HydrophobicContact CG1-CD1 3.86Å; V65-I69 HydrophobicContact CG1-CG1 4.45Å; V65-I69 WeakPolarHBondContact O-CG1 3.34Å; V65-I69 PolarHBondContact O-N 3.38Å |
| 66 | A | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W46 L62 L63 I69 L70 | W46-A66 HydrophobicContact CZ2-CB 4.06Å; L62-A66 PolarHBondContact O-N 3.48Å; L63-A66 PolarHBondContact O-N 2.99Å; A66-I69 PolarHBondContact O-N 3.39Å; A66-L70 WeakPolarHBondContact O-CB 3.48Å; A66-L70 WeakPolarHBondContact O-CD1 3.41Å; A66-L70 VanDerWaalsContact O-CG 3.25Å; A66-L70 WeakPolarHBondContact O-CG 3.33Å; A66-L70 PolarHBondContact O-N 3.45Å |
| 67 | N | 92.9 | Very high | 88.9 | Confident | 20 Ų | 20 | 39 Ų | 39 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 174.2 | 173.2 | 79.8 | 0 | 0 | 0 | 113.4 | L63 Y64 V65 I69 L70 T71 L108 W112 | L63-N67 WeakPolarHBondContact O-CB 3.38Å; L63-N67 PolarHBondContact O-N 3.41Å; Y64-N67 PolarHBondContact O-N 2.87Å; V65-N67 VanDerWaalsContact C-N 3.29Å; V65-N67 PolarHBondContact O-N 3.12Å; N67-I69 VanDerWaalsContact C-N 3.31Å; N67-I69 PolarHBondContact O-N 3.22Å; N67-L70 PolarHBondContact O-N 2.88Å; N67-T71 WeakPolarHBondContact O-CB 3.45Å; N67-T71 VanDerWaalsContact O-CG2 3.3Å; N67-T71 WeakPolarHBondContact O-CG2 3.39Å; N67-T71 PolarHBondContact O-N 3.25Å; N67-T71 PolarHBondContact O-OG1 3.35Å; N67-L108 HydrophobicContact CB-CD1 3.93Å; N67-W112 HydrophobicContact CB-CZ2 4.24Å; N67-W112 PolarHBondContact OD1-NE1 3.5Å |
| 68 | E | 93.7 | Very high | 88.3 | Confident | 36 Ų | 36 | 36.9 Ų | 36.9 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 175.7 | -83.8 | -87 | 160.7 | 0 | 0 | 111.4 | V25 A29 Y64 V65 K72 | V25-E68 HydrophobicContact CG1-CB 4.48Å; V25-E68 HydrophobicContact CG1-CG 3.99Å; A29-E68 HydrophobicContact CB-CB 3.59Å; Y64-E68 PolarHBondContact O-N 3.38Å; V65-E68 PolarHBondContact O-N 2.64Å; E68-K72 WeakPolarHBondContact O-CB 3.4Å; E68-K72 WeakPolarHBondContact O-CD 3.22Å; E68-K72 VanDerWaalsContact O-CG 3.3Å; E68-K72 WeakPolarHBondContact O-CG 3.22Å; E68-K72 PolarHBondContact O-N 3.33Å; E68-K72 WeakPolarHBondContact OE2-CE 3.44Å; E68-K72 IonicContact OE2-NZ 3.91Å; E68-K72 PolarHBondContact OE2-NZ 3.05Å |
| 69 | I | 92.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -58.6 | 171.2 | -66.5 | 168.3 | 0 | 0 | 0 | 110.1 | A29 L32 L33 V65 A66 N67 T71 K72 S73 F81 L85 | A29-I69 HydrophobicContact CB-CG1 3.96Å; L32-I69 HydrophobicContact CB-CD1 4.02Å; L32-I69 HydrophobicContact CD1-CD1 3.9Å; L33-I69 HydrophobicContact CD2-CG2 4.11Å; L33-I69 HydrophobicContact CG-CG1 4.46Å; V65-I69 HydrophobicContact CG1-CD1 3.86Å; V65-I69 HydrophobicContact CG1-CG1 4.45Å; V65-I69 WeakPolarHBondContact O-CG1 3.34Å; V65-I69 PolarHBondContact O-N 3.38Å; A66-I69 PolarHBondContact O-N 3.39Å; N67-I69 VanDerWaalsContact C-N 3.31Å; N67-I69 PolarHBondContact O-N 3.22Å; I69-T71 VanDerWaalsContact C-N 3.29Å; I69-T71 PolarHBondContact O-N 2.69Å; I69-K72 PolarHBondContact O-N 2.76Å; I69-K72 VanDerWaalsContact O-N 3.11Å; I69-S73 WeakPolarHBondContact O-CB 3.49Å; I69-S73 PolarHBondContact O-N 2.72Å; I69-F81 HydrophobicContact CG2-CB 3.82Å; I69-F81 HydrophobicContact CG2-CD1 3.67Å; I69-F81 HydrophobicContact CG2-CD2 3.78Å; I69-F81 HydrophobicContact CG2-CE1 4.13Å; I69-F81 HydrophobicContact CG2-CE2 4.23Å; I69-F81 HydrophobicContact CG2-CG 3.48Å; I69-F81 VanDerWaalsContact CG2-CG 3.48Å; I69-F81 HydrophobicContact CG2-CZ 4.4Å; I69-L85 HydrophobicContact CG2-CD1 4.18Å |
| 70 | L | 90.8 | Very high | 87.4 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -34.5 | -176.3 | -73.4 | 165.5 | 0 | 0 | 0 | 113.9 | A66 N67 P74 L85 W112 V117 F118 | A66-L70 WeakPolarHBondContact O-CB 3.48Å; A66-L70 WeakPolarHBondContact O-CD1 3.41Å; A66-L70 VanDerWaalsContact O-CG 3.25Å; A66-L70 WeakPolarHBondContact O-CG 3.33Å; A66-L70 PolarHBondContact O-N 3.45Å; N67-L70 PolarHBondContact O-N 2.88Å; L70-P74 WeakPolarHBondContact O-CD 3.47Å; L70-L85 HydrophobicContact CD1-CD1 4.26Å; L70-L85 HydrophobicContact CD2-CB 4.32Å; L70-L85 HydrophobicContact CD2-CD1 3.92Å; L70-L85 HydrophobicContact CG-CD1 3.79Å; L70-W112 HydrophobicContact CD1-CZ2 4.16Å; L70-V117 HydrophobicContact CB-CG1 3.86Å; L70-V117 HydrophobicContact CD1-CG1 4.21Å; L70-V117 HydrophobicContact CD2-CG1 4.15Å; L70-V117 HydrophobicContact CG-CG1 4.3Å; L70-F118 HydrophobicContact CD1-CE2 3.83Å; L70-F118 HydrophobicContact CD1-CZ 3.64Å; L70-F118 HydrophobicContact CD2-CE1 4.28Å; L70-F118 HydrophobicContact CD2-CZ 3.87Å; L70-F118 HydrophobicContact CG-CZ 4.43Å |
| 71 | T | 88.1 | Confident | 87.3 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -84.7 | -17.6 | 179.8 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | N67 I69 Y111 | N67-T71 WeakPolarHBondContact O-CB 3.45Å; N67-T71 VanDerWaalsContact O-CG2 3.3Å; N67-T71 WeakPolarHBondContact O-CG2 3.39Å; N67-T71 PolarHBondContact O-N 3.25Å; N67-T71 PolarHBondContact O-OG1 3.35Å; I69-T71 VanDerWaalsContact C-N 3.29Å; I69-T71 PolarHBondContact O-N 2.69Å; T71-Y111 HydrophobicContact CG2-CE1 4.03Å |
| 72 | K | 88.8 | Confident | 87 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -98.2 | -34.4 | 175 | -77 | 172 | 166.6 | 163.9 | 0 | 113.3 | L33 E68 I69 P74 K75 Y76 | L33-K72 HydrophobicContact CD1-CB 3.57Å; L33-K72 HydrophobicContact CD1-CD 3.68Å; L33-K72 HydrophobicContact CD1-CG 4.29Å; L33-K72 HydrophobicContact CD2-CB 4.48Å; E68-K72 WeakPolarHBondContact O-CB 3.4Å; E68-K72 WeakPolarHBondContact O-CD 3.22Å; E68-K72 VanDerWaalsContact O-CG 3.3Å; E68-K72 WeakPolarHBondContact O-CG 3.22Å; E68-K72 PolarHBondContact O-N 3.33Å; E68-K72 WeakPolarHBondContact OE2-CE 3.44Å; E68-K72 IonicContact OE2-NZ 3.91Å; E68-K72 PolarHBondContact OE2-NZ 3.05Å; I69-K72 PolarHBondContact O-N 2.76Å; I69-K72 VanDerWaalsContact O-N 3.11Å; K72-P74 VanDerWaalsContact C-N 3.3Å; K72-P74 VanDerWaalsContact O-N 3.15Å; K72-K75 WeakPolarHBondContact O-CA 3.45Å; K72-K75 VanDerWaalsContact O-CB 3.27Å; K72-K75 WeakPolarHBondContact O-CB 3.37Å; K72-K75 PolarHBondContact O-N 3.2Å; K72-Y76 HydrophobicContact CB-CD2 4.09Å; K72-Y76 HydrophobicContact CB-CE2 3.99Å; K72-Y76 HydrophobicContact CD-CE2 4.46Å; K72-Y76 HydrophobicContact CG-CE2 4.48Å; K72-Y76 WeakPolarHBondContact O-CD2 3.42Å; K72-Y76 PolarHBondContact O-N 3.43Å |
| 73 | S | 87.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -55.2 | -35.5 | -170.4 | 88.7 | 0 | 0 | 0 | 0 | 114 | I69 K75 Y76 G77 V78 | I69-S73 WeakPolarHBondContact O-CB 3.49Å; I69-S73 PolarHBondContact O-N 2.72Å; S73-K75 VanDerWaalsContact C-N 3.28Å; S73-K75 PolarHBondContact O-N 3.21Å; S73-Y76 CarbonylContact O-C 3.58Å; S73-Y76 PolarHBondContact O-N 3.31Å; S73-Y76 VanDerWaalsContact O-N 3.11Å; S73-G77 PolarHBondContact O-N 3.09Å; S73-G77 VanDerWaalsContact O-N 3.16Å; S73-V78 CarbonylContact C-O 3.52Å; S73-V78 WeakPolarHBondContact CB-O 3.46Å; S73-V78 PolarHBondContact O-N 3.39Å; S73-V78 PolarHBondContact OG-O 3.14Å |
| 74 | P | 82.7 | Confident | 86.5 | Confident | 95 Ų | 95 | 50.5 Ų | 50.5 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -62 | -31.1 | 171.8 | -23.5 | 35.7 | 0 | 0 | 0 | 113.9 | L70 K72 G77 | L70-P74 WeakPolarHBondContact O-CD 3.47Å; K72-P74 VanDerWaalsContact C-N 3.3Å; K72-P74 VanDerWaalsContact O-N 3.15Å; P74-G77 PolarHBondContact O-N 3.39Å |
| 75 | K | 79.5 | Confident | 86.4 | Confident | 184 Ų | 184 | 47.5 Ų | 47.5 | 80% | 0.8 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -74.7 | -26.1 | 176 | -55.2 | -174.9 | 179 | -175 | 0 | 112.9 | K72 S73 G77 | K72-K75 WeakPolarHBondContact O-CA 3.45Å; K72-K75 VanDerWaalsContact O-CB 3.27Å; K72-K75 WeakPolarHBondContact O-CB 3.37Å; K72-K75 PolarHBondContact O-N 3.2Å; S73-K75 VanDerWaalsContact C-N 3.28Å; S73-K75 PolarHBondContact O-N 3.21Å; K75-G77 VanDerWaalsContact C-N 3.32Å |
| 76 | Y | 79 | Confident | 86.2 | Confident | 133 Ų | 133 | 49.3 Ų | 49.3 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -87.1 | -1.1 | 172.8 | -73.1 | -89.1 | 0 | 0 | 0 | 112.6 | L33 K72 S73 V78 | L33-Y76 HydrophobicContact CD1-CD2 4.17Å; L33-Y76 HydrophobicContact CD1-CE2 3.95Å; L33-Y76 HydrophobicContact CD2-CD2 4.35Å; K72-Y76 HydrophobicContact CB-CD2 4.09Å; K72-Y76 HydrophobicContact CB-CE2 3.99Å; K72-Y76 HydrophobicContact CD-CE2 4.46Å; K72-Y76 HydrophobicContact CG-CE2 4.48Å; K72-Y76 WeakPolarHBondContact O-CD2 3.42Å; K72-Y76 PolarHBondContact O-N 3.43Å; S73-Y76 CarbonylContact O-C 3.58Å; S73-Y76 PolarHBondContact O-N 3.31Å; S73-Y76 VanDerWaalsContact O-N 3.11Å; Y76-V78 VanDerWaalsContact C-N 3.29Å |
| 77 | G | 75.7 | Confident | 86 | Confident | 67 Ų | 67 | 52.7 Ų | 52.7 | 69% | 0.691 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 11 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S73 P74 K75 | S73-G77 PolarHBondContact O-N 3.09Å; S73-G77 VanDerWaalsContact O-N 3.16Å; P74-G77 PolarHBondContact O-N 3.39Å; K75-G77 VanDerWaalsContact C-N 3.32Å |
| 78 | V | 72.8 | Confident | 85.9 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | trans | -102.8 | 91.7 | -174 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | A36 S73 Y76 E80 F81 | A36-V78 HydrophobicContact CB-CB 4.25Å; A36-V78 HydrophobicContact CB-CG1 3.61Å; A36-V78 HydrophobicContact CB-CG2 3.56Å; S73-V78 CarbonylContact C-O 3.52Å; S73-V78 WeakPolarHBondContact CB-O 3.46Å; S73-V78 PolarHBondContact O-N 3.39Å; S73-V78 PolarHBondContact OG-O 3.14Å; Y76-V78 VanDerWaalsContact C-N 3.29Å; V78-E80 VanDerWaalsContact C-N 3.33Å; V78-E80 HydrophobicContact CG1-CB 4.33Å; V78-F81 HydrophobicContact CG1-CD2 3.6Å; V78-F81 HydrophobicContact CG1-CE2 4.02Å | ||
| 79 | S | 79 | Confident | 85.7 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 67% | 0.671 | 28% | 0.282 | S | S | * | . | trans | -76.3 | -20.4 | 174.6 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | F81 G82 | S79-F81 VanDerWaalsContact C-N 3.34Å; S79-F81 PolarHBondContact O-N 2.87Å; S79-G82 PolarHBondContact O-N 3.28Å | ||
| 80 | E | 84.2 | Confident | 85.5 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | -171.2 | -60.7 | 169.7 | -170.2 | 0 | 0 | 113.7 | S39 V78 G82 E83 A84 | S39-E80 WeakPolarHBondContact OG-CB 3.2Å; S39-E80 PolarHBondContact OG-OE2 2.91Å; V78-E80 VanDerWaalsContact C-N 3.33Å; V78-E80 HydrophobicContact CG1-CB 4.33Å; E80-G82 PolarHBondContact O-N 3Å; E80-G82 VanDerWaalsContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.48Å; E80-A84 WeakPolarHBondContact O-CB 3.23Å; E80-A84 PolarHBondContact O-N 3.27Å |
| 81 | F | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -25.2 | 175.8 | -80.1 | -65.4 | 0 | 0 | 0 | 113.8 | L32 L33 A36 I42 I69 V78 S79 L85 | L32-F81 WeakPolarHBondContact O-CZ 3.5Å; L33-F81 HydrophobicContact CD2-CD2 4.26Å; L33-F81 HydrophobicContact CD2-CE2 4.23Å; A36-F81 HydrophobicContact CB-CE2 4.43Å; I42-F81 HydrophobicContact CB-CE1 4.23Å; I42-F81 HydrophobicContact CD1-CE1 4.13Å; I42-F81 HydrophobicContact CD1-CZ 3.92Å; I42-F81 HydrophobicContact CG2-CE1 4.03Å; I69-F81 HydrophobicContact CG2-CB 3.82Å; I69-F81 HydrophobicContact CG2-CD1 3.67Å; I69-F81 HydrophobicContact CG2-CD2 3.78Å; I69-F81 HydrophobicContact CG2-CE1 4.13Å; I69-F81 HydrophobicContact CG2-CE2 4.23Å; I69-F81 HydrophobicContact CG2-CG 3.48Å; I69-F81 VanDerWaalsContact CG2-CG 3.48Å; I69-F81 HydrophobicContact CG2-CZ 4.4Å; V78-F81 HydrophobicContact CG1-CD2 3.6Å; V78-F81 HydrophobicContact CG1-CE2 4.02Å; S79-F81 VanDerWaalsContact C-N 3.34Å; S79-F81 PolarHBondContact O-N 2.87Å; F81-L85 HydrophobicContact CB-CD1 4.42Å; F81-L85 HydrophobicContact CD1-CD1 4.43Å; F81-L85 VanDerWaalsContact O-CB 3.23Å; F81-L85 WeakPolarHBondContact O-CB 3.44Å; F81-L85 WeakPolarHBondContact O-CG 3.22Å; F81-L85 PolarHBondContact O-N 3.4Å; F81-L85 VanDerWaalsContact O-N 3.08Å |
| 82 | G | 85.5 | Confident | 85.4 | Confident | 15 Ų | 15 | 54 Ų | 54 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -57.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S79 E80 K86 | S79-G82 PolarHBondContact O-N 3.28Å; E80-G82 PolarHBondContact O-N 3Å; E80-G82 VanDerWaalsContact O-N 3.13Å; G82-K86 WeakPolarHBondContact O-CB 3.34Å; G82-K86 PolarHBondContact O-N 2.82Å; G82-K86 VanDerWaalsContact O-N 3.15Å |
| 83 | E | 85.3 | Confident | 85.2 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -72.6 | -34.7 | -178.7 | -63.1 | -54.1 | 125.3 | 0 | 0 | 112.6 | E80 K86 P87 | E80-E83 PolarHBondContact O-N 3.48Å; E83-K86 IonicContact OE1-NZ 2.76Å; E83-K86 IonicContact OE2-NZ 3.43Å; E83-P87 WeakPolarHBondContact O-CD 3.34Å |
| 84 | A | 89.4 | Confident | 85 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S43 E80 | S43-A84 WeakPolarHBondContact CB-O 3.26Å; S43-A84 WeakPolarHBondContact OG-CB 3.25Å; E80-A84 WeakPolarHBondContact O-CB 3.23Å; E80-A84 PolarHBondContact O-N 3.27Å |
| 85 | L | 91 | Very high | 85.1 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -83 | -25 | 179 | -69.6 | 169.1 | 0 | 0 | 0 | 113.3 | S43 I69 L70 F81 V88 V89 | S43-L85 WeakPolarHBondContact OG-CD2 3.45Å; I69-L85 HydrophobicContact CG2-CD1 4.18Å; L70-L85 HydrophobicContact CD1-CD1 4.26Å; L70-L85 HydrophobicContact CD2-CB 4.32Å; L70-L85 HydrophobicContact CD2-CD1 3.92Å; L70-L85 HydrophobicContact CG-CD1 3.79Å; F81-L85 HydrophobicContact CB-CD1 4.42Å; F81-L85 HydrophobicContact CD1-CD1 4.43Å; F81-L85 VanDerWaalsContact O-CB 3.23Å; F81-L85 WeakPolarHBondContact O-CB 3.44Å; F81-L85 WeakPolarHBondContact O-CG 3.22Å; F81-L85 PolarHBondContact O-N 3.4Å; F81-L85 VanDerWaalsContact O-N 3.08Å; L85-V88 HydrophobicContact CD2-CG1 4.26Å; L85-V88 PolarHBondContact O-N 3.19Å; L85-V88 VanDerWaalsContact O-N 3.15Å; L85-V89 HydrophobicContact CB-CG2 4.44Å; L85-V89 WeakPolarHBondContact O-CB 3.36Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 3.28Å |
| 86 | K | 89.9 | Confident | 85.2 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52 | -52.6 | -179.6 | -163.1 | 174.9 | -165.4 | 169.9 | 0 | 114.1 | G82 E83 T90 F118 D119 F122 | G82-K86 WeakPolarHBondContact O-CB 3.34Å; G82-K86 PolarHBondContact O-N 2.82Å; G82-K86 VanDerWaalsContact O-N 3.15Å; E83-K86 IonicContact OE1-NZ 2.76Å; E83-K86 IonicContact OE2-NZ 3.43Å; K86-T90 PolarHBondContact O-N 3.42Å; K86-T90 PolarHBondContact O-OG1 2.99Å; K86-F118 HydrophobicContact CB-CD1 4.45Å; K86-F118 HydrophobicContact CB-CE1 3.97Å; K86-F118 HydrophobicContact CD-CD1 4.38Å; K86-F118 HydrophobicContact CG-CD1 4.14Å; K86-F118 HydrophobicContact CG-CE1 4.14Å; K86-D119 WeakPolarHBondContact CE-OD2 3.29Å; K86-D119 IonicContact NZ-OD2 2.85Å; K86-D119 PolarHBondContact NZ-OD2 3.22Å; K86-F122 HydrophobicContact CG-CD2 4.17Å; K86-F122 HydrophobicContact CG-CE1 4.33Å; K86-F122 HydrophobicContact CG-CE2 3.66Å; K86-F122 HydrophobicContact CG-CZ 3.76Å; K86-F122 WeakPolarHBondContact O-CZ 3.32Å |
| 87 | P | 89.9 | Confident | 84.9 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.5 | -32.2 | 176.1 | 30.3 | -35.2 | 0 | 0 | 0 | 112.3 | E83 T90 Q91 | E83-P87 WeakPolarHBondContact O-CD 3.34Å; P87-T90 WeakPolarHBondContact O-CB 3.4Å; P87-T90 PolarHBondContact O-N 3.42Å; P87-Q91 PolarHBondContact O-N 2.92Å |
| 88 | V | 90.1 | Very high | 84.6 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.1 | -48.3 | -178.3 | 153.4 | 0 | 0 | 0 | 0 | 111.9 | W46 L47 L85 T90 Q91 A92 | W46-V88 HydrophobicContact CD2-CG1 4.46Å; W46-V88 HydrophobicContact CE3-CG1 3.39Å; W46-V88 HydrophobicContact CZ3-CG1 3.66Å; L47-V88 HydrophobicContact CB-CG1 3.93Å; L47-V88 HydrophobicContact CB-CG2 4.26Å; L47-V88 HydrophobicContact CD1-CG1 4.41Å; L47-V88 HydrophobicContact CD2-CG2 4.08Å; L85-V88 HydrophobicContact CD2-CG1 4.26Å; L85-V88 PolarHBondContact O-N 3.19Å; L85-V88 VanDerWaalsContact O-N 3.15Å; V88-T90 VanDerWaalsContact C-N 3.27Å; V88-T90 PolarHBondContact O-N 2.95Å; V88-Q91 PolarHBondContact O-N 2.78Å; V88-A92 WeakPolarHBondContact O-CB 3.03Å; V88-A92 PolarHBondContact O-N 3.07Å |
| 89 | V | 90.4 | Very high | 84.5 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L85 Q91 A92 T93 W112 L126 | L85-V89 HydrophobicContact CB-CG2 4.44Å; L85-V89 WeakPolarHBondContact O-CB 3.36Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 3.28Å; V89-Q91 PolarHBondContact O-N 2.96Å; V89-A92 PolarHBondContact O-N 3.08Å; V89-T93 PolarHBondContact O-N 3.23Å; V89-T93 VanDerWaalsContact O-N 3.15Å; V89-W112 HydrophobicContact CG1-CH2 4.14Å; V89-W112 HydrophobicContact CG1-CZ3 3.89Å; V89-L126 HydrophobicContact CG1-CD1 4.28Å; V89-L126 HydrophobicContact CG1-CD2 3.91Å |
| 90 | T | 88.7 | Confident | 83.9 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 112 | K86 P87 V88 T93 F122 | K86-T90 PolarHBondContact O-N 3.42Å; K86-T90 PolarHBondContact O-OG1 2.99Å; P87-T90 WeakPolarHBondContact O-CB 3.4Å; P87-T90 PolarHBondContact O-N 3.42Å; V88-T90 VanDerWaalsContact C-N 3.27Å; V88-T90 PolarHBondContact O-N 2.95Å; T90-T93 PolarHBondContact O-OG1 2.82Å; T90-F122 WeakPolarHBondContact OG1-CE2 3.29Å; T90-F122 WeakPolarHBondContact OG1-CZ 3.33Å |
| 91 | Q | 87 | Confident | 83.8 | Confident | 79 Ų | 79 | 46.4 Ų | 46.4 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 173.5 | -72.9 | -171.9 | 42.8 | 0 | 0 | 111.6 | L47 P87 V88 V89 T93 Q94 F95 | L47-Q91 HydrophobicContact CD1-CB 4.15Å; L47-Q91 HydrophobicContact CD2-CB 3.96Å; L47-Q91 HydrophobicContact CD2-CG 4.45Å; P87-Q91 PolarHBondContact O-N 2.92Å; V88-Q91 PolarHBondContact O-N 2.78Å; V89-Q91 PolarHBondContact O-N 2.96Å; Q91-T93 PolarHBondContact O-N 3.06Å; Q91-T93 VanDerWaalsContact O-N 3.17Å; Q91-Q94 WeakPolarHBondContact O-CB 3.48Å; Q91-Q94 PolarHBondContact O-N 2.99Å; Q91-F95 VanDerWaalsContact O-CD2 3.26Å; Q91-F95 WeakPolarHBondContact O-CD2 3.35Å; Q91-F95 WeakPolarHBondContact O-CE2 3.39Å |
| 92 | A | 88.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -31.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W46 L47 F50 V88 V89 Q94 F95 L96 | W46-A92 HydrophobicContact CH2-CB 4.03Å; W46-A92 HydrophobicContact CZ3-CB 3.8Å; L47-A92 HydrophobicContact CD1-CB 4.07Å; F50-A92 HydrophobicContact CD1-CB 3.8Å; F50-A92 HydrophobicContact CE1-CB 3.79Å; F50-A92 WeakPolarHBondContact CE1-O 3.27Å; F50-A92 HydrophobicContact CG-CB 4.24Å; F50-A92 HydrophobicContact CZ-CB 4.2Å; V88-A92 WeakPolarHBondContact O-CB 3.03Å; V88-A92 PolarHBondContact O-N 3.07Å; V89-A92 PolarHBondContact O-N 3.08Å; A92-Q94 PolarHBondContact O-N 3.06Å; A92-Q94 VanDerWaalsContact O-N 3.12Å; A92-F95 PolarHBondContact O-N 2.95Å; A92-L96 PolarHBondContact O-N 2.9Å |
| 93 | T | 85.2 | Confident | 83.5 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -59.8 | -22.2 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 114.9 | V89 T90 Q91 F95 L96 L126 I130 | V89-T93 PolarHBondContact O-N 3.23Å; V89-T93 VanDerWaalsContact O-N 3.15Å; T90-T93 PolarHBondContact O-OG1 2.82Å; Q91-T93 PolarHBondContact O-N 3.06Å; Q91-T93 VanDerWaalsContact O-N 3.17Å; T93-F95 VanDerWaalsContact C-N 3.29Å; T93-F95 PolarHBondContact O-N 2.85Å; T93-L96 HydrophobicContact CG2-CD1 4.07Å; T93-L126 HydrophobicContact CG2-CD1 3.45Å; T93-L126 VanDerWaalsContact CG2-CD1 3.45Å; T93-L126 HydrophobicContact CG2-CG 3.98Å; T93-I130 HydrophobicContact CG2-CD1 3.87Å; T93-I130 HydrophobicContact CG2-CG1 4.11Å |
| 94 | Q | 84.3 | Confident | 83.5 | Confident | 138 Ų | 138 | 48.4 Ų | 48.4 | 65% | 0.645 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -75.8 | -16.6 | 176 | -56.2 | 175.2 | 0.8 | 0 | 0 | 113 | Q91 A92 | Q91-Q94 WeakPolarHBondContact O-CB 3.48Å; Q91-Q94 PolarHBondContact O-N 2.99Å; A92-Q94 PolarHBondContact O-N 3.06Å; A92-Q94 VanDerWaalsContact O-N 3.12Å |
| 95 | F | 83.3 | Confident | 83.5 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -108.9 | 5.8 | -176.9 | -56.8 | -91.1 | 0 | 0 | 0 | 112.6 | F50 K51 Q59 Q91 A92 T93 | F50-F95 HydrophobicContact CD1-CB 4.37Å; F50-F95 HydrophobicContact CE1-CB 4.21Å; K51-F95 HydrophobicContact CD-CE1 4.39Å; K51-F95 HydrophobicContact CD-CE2 4.14Å; K51-F95 HydrophobicContact CD-CZ 4.03Å; K51-F95 VanDerWaalsContact CE-CE2 3.44Å; K51-F95 HydrophobicContact CG-CD1 4.05Å; K51-F95 HydrophobicContact CG-CD2 3.93Å; K51-F95 HydrophobicContact CG-CE1 4.05Å; K51-F95 HydrophobicContact CG-CE2 3.97Å; K51-F95 HydrophobicContact CG-CG 4.01Å; K51-F95 HydrophobicContact CG-CZ 4.03Å; Q59-F95 PolarHBondContact NE2-O 3.36Å; Q91-F95 VanDerWaalsContact O-CD2 3.26Å; Q91-F95 WeakPolarHBondContact O-CD2 3.35Å; Q91-F95 WeakPolarHBondContact O-CE2 3.39Å; A92-F95 PolarHBondContact O-N 2.95Å; T93-F95 VanDerWaalsContact C-N 3.29Å; T93-F95 PolarHBondContact O-N 2.85Å |
| 96 | L | 81.9 | Confident | 83.4 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 123.5 | 172.3 | -70.3 | 170.3 | 0 | 0 | 0 | 110.1 | F50 L63 A92 T93 F101 L105 I130 T133 | F50-L96 HydrophobicContact CZ-CD2 3.85Å; L63-L96 HydrophobicContact CD1-CD2 4.28Å; A92-L96 PolarHBondContact O-N 2.9Å; T93-L96 HydrophobicContact CG2-CD1 4.07Å; L96-F101 HydrophobicContact CD2-CE2 3.9Å; L96-F101 HydrophobicContact CD2-CZ 4.16Å; L96-L105 HydrophobicContact CD1-CD2 3.47Å; L96-L105 VanDerWaalsContact CD1-CD2 3.47Å; L96-L105 HydrophobicContact CD2-CD2 3.95Å; L96-L105 HydrophobicContact CG-CD2 4.4Å; L96-I130 HydrophobicContact CD1-CD1 4.06Å; L96-I130 HydrophobicContact CD1-CG1 3.71Å; L96-T133 WeakPolarHBondContact O-CG2 3.45Å |
| 97 | K | 73.8 | Confident | 83.4 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 45% | 0.452 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 140.7 | 165.9 | -68.2 | -171.9 | 174 | -172.7 | 0 | 110.1 | F101 | K97-F101 VanDerWaalsContact O-CE1 3.29Å; K97-F101 WeakPolarHBondContact O-CE1 3.45Å; K97-F101 WeakPolarHBondContact O-CZ 3.43Å |
| 98 | P | 69 | Low | 83.4 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 143.7 | 168.5 | 27.3 | -33.7 | 0 | 0 | 0 | 110 | T133 | P98-T133 HydrophobicContact CB-CG2 4.39Š|
| 99 | G | 69.4 | Low | 83.4 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 168.3 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F101 I102 | G99-F101 PolarHBondContact O-N 2.91Å; G99-F101 VanDerWaalsContact O-N 3.07Å; G99-I102 WeakPolarHBondContact O-CB 3.38Å; G99-I102 VanDerWaalsContact O-CG1 3.24Å; G99-I102 WeakPolarHBondContact O-CG1 3.37Å; G99-I102 PolarHBondContact O-N 2.8Å; G99-I102 VanDerWaalsContact O-N 3.08Å |
| 100 | P | 67.5 | Low | 83.4 | Confident | 121 Ų | 121 | 55.5 Ų | 55.5 | 79% | 0.786 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.3 | -171.3 | 24 | -34.6 | 0 | 0 | 0 | 114.1 | I102 S103 | P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 3.29Å; P100-S103 PolarHBondContact O-OG 3.47Å |
| 101 | F | 81.2 | Confident | 83.4 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.5 | 178.2 | 78.2 | -79.4 | 0 | 0 | 0 | 114.3 | P56 L60 L96 K97 G99 S103 K104 L105 | P56-F101 HydrophobicContact CB-CD1 3.73Å; P56-F101 HydrophobicContact CB-CE1 3.42Å; P56-F101 VanDerWaalsContact CB-CE1 3.42Å; P56-F101 HydrophobicContact CB-CZ 4Å; L60-F101 HydrophobicContact CB-CD2 4.49Å; L60-F101 HydrophobicContact CD1-CD2 4.45Å; L60-F101 HydrophobicContact CD2-CB 4.29Å; L96-F101 HydrophobicContact CD2-CE2 3.9Å; L96-F101 HydrophobicContact CD2-CZ 4.16Å; K97-F101 VanDerWaalsContact O-CE1 3.29Å; K97-F101 WeakPolarHBondContact O-CE1 3.45Å; K97-F101 WeakPolarHBondContact O-CZ 3.43Å; G99-F101 PolarHBondContact O-N 2.91Å; G99-F101 VanDerWaalsContact O-N 3.07Å; F101-S103 PolarHBondContact O-N 2.94Å; F101-K104 WeakPolarHBondContact O-CA 3.17Å; F101-K104 WeakPolarHBondContact O-CB 3.31Å; F101-K104 PolarHBondContact O-N 2.99Å; F101-L105 PolarHBondContact O-N 2.68Å |
| 102 | I | 84.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.9 | -40.1 | 173.8 | -64.7 | -70.8 | 0 | 0 | 0 | 110.4 | G99 P100 K104 L105 T106 I130 E134 | G99-I102 WeakPolarHBondContact O-CB 3.38Å; G99-I102 VanDerWaalsContact O-CG1 3.24Å; G99-I102 WeakPolarHBondContact O-CG1 3.37Å; G99-I102 PolarHBondContact O-N 2.8Å; G99-I102 VanDerWaalsContact O-N 3.08Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 3.29Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 3.03Å; I102-L105 PolarHBondContact O-N 3.21Å; I102-T106 PolarHBondContact O-N 2.91Å; I102-T106 PolarHBondContact O-OG1 3.31Å; I102-I130 HydrophobicContact CD1-CG2 4.14Å; I102-I130 HydrophobicContact CG2-CG2 3.78Å; I102-E134 HydrophobicContact CG2-CB 4.25Å; I102-E134 HydrophobicContact CG2-CG 4.3Å |
| 103 | S | 83.7 | Confident | 83.7 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.7 | -38.7 | 172.6 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | P100 F101 K107 | P100-S103 PolarHBondContact O-OG 3.47Å; F101-S103 PolarHBondContact O-N 2.94Å; S103-K107 WeakPolarHBondContact O-CG 3.45Å; S103-K107 PolarHBondContact O-N 2.98Å |
| 104 | K | 86.6 | Confident | 83.8 | Confident | 112 Ų | 112 | 64.2 Ų | 64.2 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.9 | -33.8 | 177.9 | -59.4 | -178.5 | 179.8 | 179.3 | 0 | 111.4 | L60 F101 I102 L108 | L60-K104 HydrophobicContact CD1-CB 4.43Å; L60-K104 HydrophobicContact CD2-CD 4Å; F101-K104 WeakPolarHBondContact O-CA 3.17Å; F101-K104 WeakPolarHBondContact O-CB 3.31Å; F101-K104 PolarHBondContact O-N 2.99Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 3.03Å; K104-L108 WeakPolarHBondContact O-CB 3.42Å; K104-L108 PolarHBondContact O-N 3.38Å |
| 105 | L | 87.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.2 | -40.9 | 177.3 | -175.7 | 55.3 | 0 | 0 | 0 | 112.2 | L63 L96 F101 I102 K107 L108 I109 I130 | L63-L105 HydrophobicContact CD1-CD1 4.05Å; L63-L105 HydrophobicContact CD1-CD2 4.45Å; L96-L105 HydrophobicContact CD1-CD2 3.47Å; L96-L105 VanDerWaalsContact CD1-CD2 3.47Å; L96-L105 HydrophobicContact CD2-CD2 3.95Å; L96-L105 HydrophobicContact CG-CD2 4.4Å; F101-L105 PolarHBondContact O-N 2.68Å; I102-L105 PolarHBondContact O-N 3.21Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.25Å; L105-L108 HydrophobicContact CD1-CB 4.45Å; L105-L108 HydrophobicContact CD1-CD2 4.15Å; L105-L108 WeakPolarHBondContact O-CA 3.38Å; L105-L108 WeakPolarHBondContact O-CB 3.24Å; L105-L108 PolarHBondContact O-N 3.43Å; L105-I109 HydrophobicContact CD1-CD1 4.08Å; L105-I109 HydrophobicContact CD1-CG1 4.3Å; L105-I109 HydrophobicContact CG-CD1 4.02Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.41Å; L105-I130 HydrophobicContact CD2-CD1 3.57Å; L105-I130 HydrophobicContact CD2-CG1 4.13Å; L105-I130 HydrophobicContact CD2-CG2 4.41Å; L105-I130 HydrophobicContact CG-CD1 3.89Å |
| 106 | T | 88.9 | Confident | 84 | Confident | 32 Ų | 32 | 69 Ų | 69 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 169.2 | -70 | 0 | 0 | 0 | 0 | 111.2 | I102 L108 I109 N110 L127 | I102-T106 PolarHBondContact O-N 2.91Å; I102-T106 PolarHBondContact O-OG1 3.31Å; T106-L108 VanDerWaalsContact C-N 3.32Å; T106-L108 PolarHBondContact O-N 3.27Å; T106-I109 PolarHBondContact O-N 2.86Å; T106-N110 WeakPolarHBondContact O-CB 3.45Å; T106-N110 VanDerWaalsContact O-CG 3.23Å; T106-N110 PolarHBondContact O-N 3.15Å; T106-N110 PolarHBondContact O-OD1 3.47Å; T106-L127 HydrophobicContact CG2-CD1 3.95Å |
| 107 | K | 89.8 | Confident | 84.2 | Confident | 156 Ų | 156 | 70.1 Ų | 70.1 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.7 | -37.9 | 172.8 | -72.8 | 179.1 | 179.4 | -173.9 | 0 | 112.5 | S103 L105 Y111 | S103-K107 WeakPolarHBondContact O-CG 3.45Å; S103-K107 PolarHBondContact O-N 2.98Å; L105-K107 VanDerWaalsContact C-N 3.33Å; L105-K107 PolarHBondContact O-N 3.25Å; K107-Y111 WeakPolarHBondContact O-CB 3.46Å; K107-Y111 PolarHBondContact O-N 3.1Å |
| 108 | L | 90.5 | Very high | 84.8 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 177.6 | -170.5 | 65.2 | 0 | 0 | 0 | 113 | L63 Y64 N67 K104 L105 T106 Y111 W112 | L63-L108 HydrophobicContact CB-CD2 4.27Å; Y64-L108 HydrophobicContact CD1-CD1 4.47Å; Y64-L108 HydrophobicContact CD1-CD2 4.33Å; Y64-L108 HydrophobicContact CE1-CD2 4.49Å; N67-L108 HydrophobicContact CB-CD1 3.93Å; K104-L108 WeakPolarHBondContact O-CB 3.42Å; K104-L108 PolarHBondContact O-N 3.38Å; L105-L108 HydrophobicContact CD1-CB 4.45Å; L105-L108 HydrophobicContact CD1-CD2 4.15Å; L105-L108 WeakPolarHBondContact O-CA 3.38Å; L105-L108 WeakPolarHBondContact O-CB 3.24Å; L105-L108 PolarHBondContact O-N 3.43Å; T106-L108 VanDerWaalsContact C-N 3.32Å; T106-L108 PolarHBondContact O-N 3.27Å; L108-Y111 WeakPolarHBondContact O-CB 3.4Å; L108-Y111 PolarHBondContact O-N 2.83Å; L108-W112 HydrophobicContact CD2-CH2 4.5Å; L108-W112 HydrophobicContact CD2-CZ2 4.03Å; L108-W112 HydrophobicContact CG-CZ2 4.14Å; L108-W112 PolarHBondContact O-N 2.89Å |
| 109 | I | 89.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.6 | -38 | -179.3 | -67 | 168.3 | 0 | 0 | 0 | 111.1 | L105 T106 Y111 W112 T113 T123 L126 I130 | L105-I109 HydrophobicContact CD1-CD1 4.08Å; L105-I109 HydrophobicContact CD1-CG1 4.3Å; L105-I109 HydrophobicContact CG-CD1 4.02Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.41Å; T106-I109 PolarHBondContact O-N 2.86Å; I109-Y111 PolarHBondContact O-N 2.78Å; I109-W112 HydrophobicContact CG1-CE3 4.05Å; I109-W112 HydrophobicContact CG1-CZ3 4.17Å; I109-W112 PolarHBondContact O-N 3.02Å; I109-W112 VanDerWaalsContact O-N 3.15Å; I109-T113 PolarHBondContact O-N 2.89Å; I109-T113 PolarHBondContact O-OG1 3.49Å; I109-T123 HydrophobicContact CG2-CG2 4.42Å; I109-L126 HydrophobicContact CD1-CB 4.43Å; I109-L126 HydrophobicContact CD1-CD2 3.68Å; I109-L126 HydrophobicContact CD1-CG 3.94Å; I109-L126 HydrophobicContact CG1-CD2 3.95Å; I109-L126 HydrophobicContact CG2-CD2 4.43Å; I109-I130 HydrophobicContact CD1-CD1 3.17Å |
| 110 | N | 90.1 | Very high | 86.6 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 169.6 | -69.1 | -3.5 | 0 | 0 | 0 | 110.8 | T106 T113 Y114 | T106-N110 WeakPolarHBondContact O-CB 3.45Å; T106-N110 VanDerWaalsContact O-CG 3.23Å; T106-N110 PolarHBondContact O-N 3.15Å; T106-N110 PolarHBondContact O-OD1 3.47Å; N110-T113 WeakPolarHBondContact O-CB 3.36Å; N110-T113 PolarHBondContact O-N 3.19Å; N110-Y114 WeakPolarHBondContact O-CB 3.45Å; N110-Y114 PolarHBondContact O-N 3.4Å |
| 111 | Y | 89.9 | Confident | 87.6 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 172.7 | -179.7 | -105.3 | 0 | 0 | 0 | 113.1 | T71 K107 L108 I109 T113 Y114 R115 | T71-Y111 HydrophobicContact CG2-CE1 4.03Å; K107-Y111 WeakPolarHBondContact O-CB 3.46Å; K107-Y111 PolarHBondContact O-N 3.1Å; L108-Y111 WeakPolarHBondContact O-CB 3.4Å; L108-Y111 PolarHBondContact O-N 2.83Å; I109-Y111 PolarHBondContact O-N 2.78Å; Y111-T113 VanDerWaalsContact C-N 3.34Å; Y111-Y114 PolarHBondContact O-N 3.48Å; Y111-R115 HydrophobicContact CD1-CG 4.3Å; Y111-R115 HydrophobicContact CD2-CG 4.14Å; Y111-R115 HydrophobicContact CE1-CG 3.93Å; Y111-R115 HydrophobicContact CE2-CG 3.75Å; Y111-R115 HydrophobicContact CG-CG 4.4Å; Y111-R115 VanDerWaalsContact O-CB 3.27Å; Y111-R115 WeakPolarHBondContact O-CB 3.3Å; Y111-R115 VanDerWaalsContact O-CG 3.29Å; Y111-R115 WeakPolarHBondContact O-CG 3.29Å; Y111-R115 PolarHBondContact O-N 3.26Å; Y111-R115 PolarHBondContact OH-NE 2.94Å; Y111-R115 PolarHBondContact OH-NH2 3.22Å |
| 112 | W | 90.7 | Very high | 88 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 172.1 | -67.5 | -14.2 | 0 | 0 | 0 | 112.9 | N67 L70 V89 L108 I109 K116 V117 F118 T123 L126 | N67-W112 HydrophobicContact CB-CZ2 4.24Å; N67-W112 PolarHBondContact OD1-NE1 3.5Å; L70-W112 HydrophobicContact CD1-CZ2 4.16Å; V89-W112 HydrophobicContact CG1-CH2 4.14Å; V89-W112 HydrophobicContact CG1-CZ3 3.89Å; L108-W112 HydrophobicContact CD2-CH2 4.5Å; L108-W112 HydrophobicContact CD2-CZ2 4.03Å; L108-W112 HydrophobicContact CG-CZ2 4.14Å; L108-W112 PolarHBondContact O-N 2.89Å; I109-W112 HydrophobicContact CG1-CE3 4.05Å; I109-W112 HydrophobicContact CG1-CZ3 4.17Å; I109-W112 PolarHBondContact O-N 3.02Å; I109-W112 VanDerWaalsContact O-N 3.15Å; W112-K116 PolarHBondContact O-N 2.9Å; W112-V117 HydrophobicContact CB-CB 4.21Å; W112-V117 HydrophobicContact CG-CB 4.46Å; W112-V117 PolarHBondContact O-N 3.28Å; W112-F118 HydrophobicContact CB-CD2 4.49Å; W112-F118 HydrophobicContact CD2-CD2 4.37Å; W112-F118 HydrophobicContact CD2-CE2 4.15Å; W112-F118 HydrophobicContact CE3-CD2 4.01Å; W112-F118 AromaticContact CE3-CE2 3.81Å; W112-F118 HydrophobicContact CE3-CE2 3.81Å; W112-F118 HydrophobicContact CZ3-CE2 4.11Å; W112-T123 HydrophobicContact CB-CG2 4.39Å; W112-L126 HydrophobicContact CE3-CD2 4.28Å; W112-L126 HydrophobicContact CZ3-CD2 3.91Å |
| 113 | T | 89.5 | Confident | 88.3 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 174.4 | -47.7 | 0 | 0 | 0 | 0 | 110.5 | I109 N110 Y111 R115 K116 I120 T123 | I109-T113 PolarHBondContact O-N 2.89Å; I109-T113 PolarHBondContact O-OG1 3.49Å; N110-T113 WeakPolarHBondContact O-CB 3.36Å; N110-T113 PolarHBondContact O-N 3.19Å; Y111-T113 VanDerWaalsContact C-N 3.34Å; T113-R115 VanDerWaalsContact C-N 3.33Å; T113-R115 PolarHBondContact O-N 3.45Å; T113-K116 PolarHBondContact O-N 2.63Å; T113-I120 HydrophobicContact CG2-CG1 4.28Å; T113-I120 HydrophobicContact CG2-CG2 4.3Å; T113-T123 WeakPolarHBondContact CG2-OG1 3.31Å; T113-T123 WeakPolarHBondContact OG1-CB 3.4Å; T113-T123 PolarHBondContact OG1-OG1 3Å |
| 114 | Y | 88.6 | Confident | 88.5 | Confident | 186 Ų | 186 | 74.4 Ų | 74.4 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.2 | -40 | 178.3 | 177.7 | -99.7 | 0 | 0 | 0 | 112.7 | N110 Y111 K116 | N110-Y114 WeakPolarHBondContact O-CB 3.45Å; N110-Y114 PolarHBondContact O-N 3.4Å; Y111-Y114 PolarHBondContact O-N 3.48Å; Y114-K116 VanDerWaalsContact C-N 3.29Å; Y114-K116 PolarHBondContact O-N 3.29Å |
| 115 | R | 86.2 | Confident | 88.6 | Confident | 144 Ų | 144 | 74.1 Ų | 74.1 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.5 | 175.9 | -71.6 | -63.6 | -164.3 | -171.1 | -0.2 | 114.3 | Y111 T113 V117 | Y111-R115 HydrophobicContact CD1-CG 4.3Å; Y111-R115 HydrophobicContact CD2-CG 4.14Å; Y111-R115 HydrophobicContact CE1-CG 3.93Å; Y111-R115 HydrophobicContact CE2-CG 3.75Å; Y111-R115 HydrophobicContact CG-CG 4.4Å; Y111-R115 VanDerWaalsContact O-CB 3.27Å; Y111-R115 WeakPolarHBondContact O-CB 3.3Å; Y111-R115 VanDerWaalsContact O-CG 3.29Å; Y111-R115 WeakPolarHBondContact O-CG 3.29Å; Y111-R115 PolarHBondContact O-N 3.26Å; Y111-R115 PolarHBondContact OH-NE 2.94Å; Y111-R115 PolarHBondContact OH-NH2 3.22Å; T113-R115 VanDerWaalsContact C-N 3.33Å; T113-R115 PolarHBondContact O-N 3.45Å; R115-V117 HydrophobicContact CB-CG2 3.78Å; R115-V117 PolarHBondContact O-N 3.09Å |
| 116 | K | 85.9 | Confident | 88.6 | Confident | 174 Ų | 174 | 74.1 Ų | 74.1 | 76% | 0.757 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 39.6 | -173.8 | -54.6 | -178.5 | -178.4 | -179 | 0 | 112.8 | W112 T113 Y114 F118 | W112-K116 PolarHBondContact O-N 2.9Å; T113-K116 PolarHBondContact O-N 2.63Å; Y114-K116 VanDerWaalsContact C-N 3.29Å; Y114-K116 PolarHBondContact O-N 3.29Å; K116-F118 VanDerWaalsContact C-N 3.31Å |
| 117 | V | 85.4 | Confident | 88.6 | Confident | 37 Ų | 37 | 74.6 Ų | 74.6 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -69.2 | -33.7 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L70 W112 R115 | L70-V117 HydrophobicContact CB-CG1 3.86Å; L70-V117 HydrophobicContact CD1-CG1 4.21Å; L70-V117 HydrophobicContact CD2-CG1 4.15Å; L70-V117 HydrophobicContact CG-CG1 4.3Å; W112-V117 HydrophobicContact CB-CB 4.21Å; W112-V117 HydrophobicContact CG-CB 4.46Å; W112-V117 PolarHBondContact O-N 3.28Å; R115-V117 HydrophobicContact CB-CG2 3.78Å; R115-V117 PolarHBondContact O-N 3.09Å |
| 118 | F | 87.2 | Confident | 88.4 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -133.7 | 166.8 | 173.1 | -59.8 | -62.8 | 0 | 0 | 0 | 109.7 | L70 K86 W112 K116 F122 T123 | L70-F118 HydrophobicContact CD1-CE2 3.83Å; L70-F118 HydrophobicContact CD1-CZ 3.64Å; L70-F118 HydrophobicContact CD2-CE1 4.28Å; L70-F118 HydrophobicContact CD2-CZ 3.87Å; L70-F118 HydrophobicContact CG-CZ 4.43Å; K86-F118 HydrophobicContact CB-CD1 4.45Å; K86-F118 HydrophobicContact CB-CE1 3.97Å; K86-F118 HydrophobicContact CD-CD1 4.38Å; K86-F118 HydrophobicContact CG-CD1 4.14Å; K86-F118 HydrophobicContact CG-CE1 4.14Å; W112-F118 HydrophobicContact CB-CD2 4.49Å; W112-F118 HydrophobicContact CD2-CD2 4.37Å; W112-F118 HydrophobicContact CD2-CE2 4.15Å; W112-F118 HydrophobicContact CE3-CD2 4.01Å; W112-F118 AromaticContact CE3-CE2 3.81Å; W112-F118 HydrophobicContact CE3-CE2 3.81Å; W112-F118 HydrophobicContact CZ3-CE2 4.11Å; K116-F118 VanDerWaalsContact C-N 3.31Å; F118-F122 HydrophobicContact CB-CD1 3.55Å; F118-F122 HydrophobicContact CB-CE1 4.11Å; F118-F122 HydrophobicContact CB-CG 4.37Å; F118-F122 HydrophobicContact CD1-CD1 4.39Å; F118-F122 HydrophobicContact CD1-CE1 4.21Å; F118-F122 HydrophobicContact CD2-CD1 4.08Å; F118-F122 AromaticContact CD2-CE1 3.8Å; F118-F122 HydrophobicContact CD2-CE1 3.8Å; F118-F122 HydrophobicContact CE2-CE1 4.22Å; F118-F122 AromaticContact CG-CD1 3.78Å; F118-F122 HydrophobicContact CG-CD1 3.78Å; F118-F122 AromaticContact CG-CE1 3.79Å; F118-F122 HydrophobicContact CG-CE1 3.79Å; F118-T123 HydrophobicContact CB-CG2 4.05Å |
| 119 | D | 87 | Confident | 88.2 | Confident | 92 Ų | 92 | 77.2 Ų | 77.2 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | trans | -58 | 140.7 | 174.1 | -50.8 | -77 | 0 | 0 | 0 | 111.5 | K86 K121 F122 T123 | K86-D119 WeakPolarHBondContact CE-OD2 3.29Å; K86-D119 IonicContact NZ-OD2 2.85Å; K86-D119 PolarHBondContact NZ-OD2 3.22Å; D119-K121 VanDerWaalsContact C-N 3.28Å; D119-K121 PolarHBondContact O-N 2.92Å; D119-F122 HydrophobicContact CB-CB 4.13Å; D119-F122 WeakPolarHBondContact O-CA 3.46Å; D119-F122 VanDerWaalsContact O-CB 3.31Å; D119-F122 WeakPolarHBondContact O-CB 3.22Å; D119-F122 PolarHBondContact O-N 3.45Å; D119-T123 PolarHBondContact O-N 3.25Å | ||
| 120 | I | 88.5 | Confident | 87.9 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.4 | -44.9 | -180 | -60.4 | 172.7 | 0 | 0 | 0 | 110.6 | T113 F122 T123 E124 | T113-I120 HydrophobicContact CG2-CG1 4.28Å; T113-I120 HydrophobicContact CG2-CG2 4.3Å; I120-F122 PolarHBondContact O-N 2.92Å; I120-T123 PolarHBondContact O-N 3.45Å; I120-T123 VanDerWaalsContact O-N 3.14Å; I120-T123 PolarHBondContact O-OG1 3.24Å; I120-E124 HydrophobicContact CG2-CG 4.26Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.43Å; I120-E124 WeakPolarHBondContact O-CB 3.41Å; I120-E124 VanDerWaalsContact O-CG 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.47Å; I120-E124 PolarHBondContact O-N 3.31Å |
| 121 | K | 88.8 | Confident | 87.5 | Confident | 166 Ų | 166 | 76.3 Ų | 76.3 | 72% | 0.722 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.1 | -32.3 | 175.2 | -62.5 | -176.6 | 179.1 | -177.6 | 0 | 113.5 | D119 E124 Q125 | D119-K121 VanDerWaalsContact C-N 3.28Å; D119-K121 PolarHBondContact O-N 2.92Å; K121-E124 WeakPolarHBondContact CA-OE2 3.45Å; K121-Q125 VanDerWaalsContact O-CG 3.29Å; K121-Q125 WeakPolarHBondContact O-CG 3.42Å; K121-Q125 PolarHBondContact O-N 3.14Å |
| 122 | F | 89.4 | Confident | 87 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 11% | 0.114 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.1 | -43.6 | 178 | 173.9 | -90.3 | 0 | 0 | 0 | 111 | K86 T90 F118 D119 I120 E124 Q125 L126 | K86-F122 HydrophobicContact CG-CD2 4.17Å; K86-F122 HydrophobicContact CG-CE1 4.33Å; K86-F122 HydrophobicContact CG-CE2 3.66Å; K86-F122 HydrophobicContact CG-CZ 3.76Å; K86-F122 WeakPolarHBondContact O-CZ 3.32Å; T90-F122 WeakPolarHBondContact OG1-CE2 3.29Å; T90-F122 WeakPolarHBondContact OG1-CZ 3.33Å; F118-F122 HydrophobicContact CB-CD1 3.55Å; F118-F122 HydrophobicContact CB-CE1 4.11Å; F118-F122 HydrophobicContact CB-CG 4.37Å; F118-F122 HydrophobicContact CD1-CD1 4.39Å; F118-F122 HydrophobicContact CD1-CE1 4.21Å; F118-F122 HydrophobicContact CD2-CD1 4.08Å; F118-F122 AromaticContact CD2-CE1 3.8Å; F118-F122 HydrophobicContact CD2-CE1 3.8Å; F118-F122 HydrophobicContact CE2-CE1 4.22Å; F118-F122 AromaticContact CG-CD1 3.78Å; F118-F122 HydrophobicContact CG-CD1 3.78Å; F118-F122 AromaticContact CG-CE1 3.79Å; F118-F122 HydrophobicContact CG-CE1 3.79Å; D119-F122 HydrophobicContact CB-CB 4.13Å; D119-F122 WeakPolarHBondContact O-CA 3.46Å; D119-F122 VanDerWaalsContact O-CB 3.31Å; D119-F122 WeakPolarHBondContact O-CB 3.22Å; D119-F122 PolarHBondContact O-N 3.45Å; I120-F122 PolarHBondContact O-N 2.92Å; F122-E124 VanDerWaalsContact C-N 3.34Å; F122-Q125 PolarHBondContact O-N 3.49Å; F122-L126 HydrophobicContact CE1-CD2 4.36Å; F122-L126 WeakPolarHBondContact O-CB 3.35Å; F122-L126 PolarHBondContact O-N 2.57Å |
| 123 | T | 89.7 | Confident | 86 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 177.6 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | I109 W112 T113 F118 D119 I120 L126 L127 | I109-T123 HydrophobicContact CG2-CG2 4.42Å; W112-T123 HydrophobicContact CB-CG2 4.39Å; T113-T123 WeakPolarHBondContact CG2-OG1 3.31Å; T113-T123 WeakPolarHBondContact OG1-CB 3.4Å; T113-T123 PolarHBondContact OG1-OG1 3Å; F118-T123 HydrophobicContact CB-CG2 4.05Å; D119-T123 PolarHBondContact O-N 3.25Å; I120-T123 PolarHBondContact O-N 3.45Å; I120-T123 VanDerWaalsContact O-N 3.14Å; I120-T123 PolarHBondContact O-OG1 3.24Å; T123-L126 PolarHBondContact O-N 2.99Å; T123-L127 VanDerWaalsContact O-CB 3.3Å; T123-L127 WeakPolarHBondContact O-CB 3.29Å; T123-L127 PolarHBondContact O-N 3.12Å |
| 124 | E | 88.7 | Confident | 84.9 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 169.9 | -73.3 | 168.2 | 164.8 | 0 | 0 | 112 | I120 K121 F122 L126 L127 Q128 | I120-E124 HydrophobicContact CG2-CG 4.26Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.43Å; I120-E124 WeakPolarHBondContact O-CB 3.41Å; I120-E124 VanDerWaalsContact O-CG 3.29Å; I120-E124 WeakPolarHBondContact O-CG 3.47Å; I120-E124 PolarHBondContact O-N 3.31Å; K121-E124 WeakPolarHBondContact CA-OE2 3.45Å; F122-E124 VanDerWaalsContact C-N 3.34Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 3Å; E124-L127 PolarHBondContact O-N 3.35Å; E124-Q128 WeakPolarHBondContact O-CB 3.38Å; E124-Q128 PolarHBondContact O-N 3.11Å |
| 125 | Q | 88.7 | Confident | 83.3 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.4 | -75.3 | 176.2 | 11.5 | 0 | 0 | 112.6 | K121 F122 K129 | K121-Q125 VanDerWaalsContact O-CG 3.29Å; K121-Q125 WeakPolarHBondContact O-CG 3.42Å; K121-Q125 PolarHBondContact O-N 3.14Å; F122-Q125 PolarHBondContact O-N 3.49Å; Q125-K129 WeakPolarHBondContact O-CG 3.4Å; Q125-K129 PolarHBondContact O-N 2.8Å; Q125-K129 VanDerWaalsContact O-N 3.08Å |
| 126 | L | 88.1 | Confident | 81.8 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 178.2 | -154.5 | 71.3 | 0 | 0 | 0 | 110.9 | V89 T93 I109 W112 F122 T123 E124 K129 I130 | V89-L126 HydrophobicContact CG1-CD1 4.28Å; V89-L126 HydrophobicContact CG1-CD2 3.91Å; T93-L126 HydrophobicContact CG2-CD1 3.45Å; T93-L126 VanDerWaalsContact CG2-CD1 3.45Å; T93-L126 HydrophobicContact CG2-CG 3.98Å; I109-L126 HydrophobicContact CD1-CB 4.43Å; I109-L126 HydrophobicContact CD1-CD2 3.68Å; I109-L126 HydrophobicContact CD1-CG 3.94Å; I109-L126 HydrophobicContact CG1-CD2 3.95Å; I109-L126 HydrophobicContact CG2-CD2 4.43Å; W112-L126 HydrophobicContact CE3-CD2 4.28Å; W112-L126 HydrophobicContact CZ3-CD2 3.91Å; F122-L126 HydrophobicContact CE1-CD2 4.36Å; F122-L126 WeakPolarHBondContact O-CB 3.35Å; F122-L126 PolarHBondContact O-N 2.57Å; T123-L126 PolarHBondContact O-N 2.99Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 3Å; L126-K129 PolarHBondContact O-N 3.36Å; L126-I130 HydrophobicContact CG-CD1 4.34Å; L126-I130 WeakPolarHBondContact O-CD1 3.44Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 3.26Å |
| 127 | L | 87.7 | Confident | 80.1 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 174.5 | -173.6 | 61.2 | 0 | 0 | 0 | 111.7 | T106 T123 E124 K129 I130 N131 | T106-L127 HydrophobicContact CG2-CD1 3.95Å; T123-L127 VanDerWaalsContact O-CB 3.3Å; T123-L127 WeakPolarHBondContact O-CB 3.29Å; T123-L127 PolarHBondContact O-N 3.12Å; E124-L127 PolarHBondContact O-N 3.35Å; L127-K129 PolarHBondContact O-N 3.31Å; L127-I130 PolarHBondContact O-N 2.97Å; L127-N131 WeakPolarHBondContact O-CB 3.41Å; L127-N131 PolarHBondContact O-N 3.07Å; L127-N131 PolarHBondContact O-OD1 2.81Å |
| 128 | Q | 86 | Confident | 78.4 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 65% | 0.654 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 175.8 | -171 | -175.5 | 25.1 | 0 | 0 | 111.7 | E124 A132 | E124-Q128 WeakPolarHBondContact O-CB 3.38Å; E124-Q128 PolarHBondContact O-N 3.11Å; Q128-A132 WeakPolarHBondContact O-CB 3.36Å; Q128-A132 PolarHBondContact O-N 3.25Å |
| 129 | K | 85.5 | Confident | 76.4 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 37% | 0.365 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.6 | -75.1 | 169.2 | -179.7 | 171.3 | 0 | 112 | Q125 L126 L127 A132 T133 | Q125-K129 WeakPolarHBondContact O-CG 3.4Å; Q125-K129 PolarHBondContact O-N 2.8Å; Q125-K129 VanDerWaalsContact O-N 3.08Å; L126-K129 PolarHBondContact O-N 3.36Å; L127-K129 PolarHBondContact O-N 3.31Å; K129-A132 WeakPolarHBondContact O-CB 3.46Å; K129-A132 PolarHBondContact O-N 3.28Å; K129-T133 PolarHBondContact O-N 3.06Å; K129-T133 PolarHBondContact O-OG1 3.03Å |
| 130 | I | 84.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71 | -39.5 | -178.2 | -75.8 | 159.7 | 0 | 0 | 0 | 111.9 | T93 L96 I102 L105 I109 L126 L127 A132 T133 E134 | T93-I130 HydrophobicContact CG2-CD1 3.87Å; T93-I130 HydrophobicContact CG2-CG1 4.11Å; L96-I130 HydrophobicContact CD1-CD1 4.06Å; L96-I130 HydrophobicContact CD1-CG1 3.71Å; I102-I130 HydrophobicContact CD1-CG2 4.14Å; I102-I130 HydrophobicContact CG2-CG2 3.78Å; L105-I130 HydrophobicContact CD2-CD1 3.57Å; L105-I130 HydrophobicContact CD2-CG1 4.13Å; L105-I130 HydrophobicContact CD2-CG2 4.41Å; L105-I130 HydrophobicContact CG-CD1 3.89Å; I109-I130 HydrophobicContact CD1-CD1 3.17Å; L126-I130 HydrophobicContact CG-CD1 4.34Å; L126-I130 WeakPolarHBondContact O-CD1 3.44Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 3.26Å; L127-I130 PolarHBondContact O-N 2.97Å; I130-A132 VanDerWaalsContact C-N 3.28Å; I130-A132 PolarHBondContact O-N 2.7Å; I130-T133 WeakPolarHBondContact O-CB 3.48Å; I130-T133 PolarHBondContact O-N 3.26Å; I130-E134 PolarHBondContact O-N 3.37Å |
| 131 | N | 81.7 | Confident | 72.1 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 171.8 | -66.6 | -6.9 | 0 | 0 | 0 | 111.4 | L127 E134 Q135 | L127-N131 WeakPolarHBondContact O-CB 3.41Å; L127-N131 PolarHBondContact O-N 3.07Å; L127-N131 PolarHBondContact O-OD1 2.81Å; N131-E134 PolarHBondContact O-N 3.16Å; N131-Q135 WeakPolarHBondContact O-CB 3.42Å; N131-Q135 WeakPolarHBondContact O-CG 3.49Å; N131-Q135 PolarHBondContact O-N 2.83Å |
| 132 | A | 78.8 | Confident | 69.7 | Low | 60 Ų | 60 | 69.6 Ų | 69.6 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q128 K129 I130 E134 Q135 A136 | Q128-A132 WeakPolarHBondContact O-CB 3.36Å; Q128-A132 PolarHBondContact O-N 3.25Å; K129-A132 WeakPolarHBondContact O-CB 3.46Å; K129-A132 PolarHBondContact O-N 3.28Å; I130-A132 VanDerWaalsContact C-N 3.28Å; I130-A132 PolarHBondContact O-N 2.7Å; A132-E134 VanDerWaalsContact C-N 3.34Å; A132-E134 PolarHBondContact O-N 3.19Å; A132-Q135 CarbonylContact O-C 3.59Å; A132-Q135 PolarHBondContact O-N 3.48Å; A132-A136 PolarHBondContact O-N 2.84Å |
| 133 | T | 69.7 | Low | 66.9 | Low | 30 Ų | 30 | 74 Ų | 74 | 18% | 0.184 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 170.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | L96 P98 K129 I130 A136 G137 | L96-T133 WeakPolarHBondContact O-CG2 3.45Å; P98-T133 HydrophobicContact CB-CG2 4.39Å; K129-T133 PolarHBondContact O-N 3.06Å; K129-T133 PolarHBondContact O-OG1 3.03Å; I130-T133 WeakPolarHBondContact O-CB 3.48Å; I130-T133 PolarHBondContact O-N 3.26Å; T133-A136 WeakPolarHBondContact O-CB 3.41Å; T133-A136 PolarHBondContact O-N 3.15Å; T133-G137 PolarHBondContact O-N 3.07Å |
| 134 | E | 67.2 | Low | 64.3 | Low | 61 Ų | 61 | 76.6 Ų | 76.6 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 173.8 | -159.8 | -171.4 | 147.7 | 0 | 0 | 111.9 | I102 I130 N131 A132 A136 G137 K138 | I102-E134 HydrophobicContact CG2-CB 4.25Å; I102-E134 HydrophobicContact CG2-CG 4.3Å; I130-E134 PolarHBondContact O-N 3.37Å; N131-E134 PolarHBondContact O-N 3.16Å; A132-E134 VanDerWaalsContact C-N 3.34Å; A132-E134 PolarHBondContact O-N 3.19Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 2.84Å; E134-G137 PolarHBondContact O-N 3.08Å; E134-K138 HydrophobicContact CG-CD 4.37Å; E134-K138 PolarHBondContact O-N 2.77Å; E134-K138 WeakPolarHBondContact OE1-CE 3.34Å; E134-K138 IonicContact OE1-NZ 3.72Å; E134-K138 PolarHBondContact OE1-NZ 3.17Å |
| 135 | Q | 55.5 | Low | 61.7 | Low | 98 Ų | 98 | 76.9 Ų | 76.9 | 46% | 0.458 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.9 | -24.6 | 174.9 | -75.7 | -163.8 | 15.8 | 0 | 0 | 113.8 | N131 A132 G137 K138 K139 | N131-Q135 WeakPolarHBondContact O-CB 3.42Å; N131-Q135 WeakPolarHBondContact O-CG 3.49Å; N131-Q135 PolarHBondContact O-N 2.83Å; A132-Q135 CarbonylContact O-C 3.59Å; A132-Q135 PolarHBondContact O-N 3.48Å; Q135-G137 VanDerWaalsContact C-N 3.27Å; Q135-G137 PolarHBondContact O-N 3.33Å; Q135-K138 PolarHBondContact O-N 2.9Å; Q135-K139 HydrophobicContact CB-CD 4.38Å; Q135-K139 VanDerWaalsContact O-CB 3.22Å; Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 WeakPolarHBondContact O-CG 3.42Å; Q135-K139 PolarHBondContact O-N 3.29Å |
| 136 | A | 55 | Low | 59.2 | Low | 66 Ų | 66 | 79.4 Ų | 79.4 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A132 T133 E134 | A132-A136 PolarHBondContact O-N 2.84Å; T133-A136 WeakPolarHBondContact O-CB 3.41Å; T133-A136 PolarHBondContact O-N 3.15Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 2.84Å |
| 137 | G | 48.9 | Very low | 57.2 | Low | 27 Ų | 27 | 85 Ų | 85 | 28% | 0.278 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.3 | -45.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T133 E134 Q135 | T133-G137 PolarHBondContact O-N 3.07Å; E134-G137 PolarHBondContact O-N 3.08Å; Q135-G137 VanDerWaalsContact C-N 3.27Å; Q135-G137 PolarHBondContact O-N 3.33Å |
| 138 | K | 51.1 | Low | 55.8 | Low | 112 Ų | 112 | 87.3 Ų | 87.3 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.7 | -18.4 | -175.9 | -70.9 | 177.2 | 168.4 | 176.1 | 0 | 115 | E134 Q135 N140 I141 T142 | E134-K138 HydrophobicContact CG-CD 4.37Å; E134-K138 PolarHBondContact O-N 2.77Å; E134-K138 WeakPolarHBondContact OE1-CE 3.34Å; E134-K138 IonicContact OE1-NZ 3.72Å; E134-K138 PolarHBondContact OE1-NZ 3.17Å; Q135-K138 PolarHBondContact O-N 2.9Å; K138-N140 PolarHBondContact O-N 3.19Å; K138-I141 CarbonylContact O-C 3.52Å; K138-I141 WeakPolarHBondContact O-CA 3.36Å; K138-I141 WeakPolarHBondContact O-CB 3.47Å; K138-I141 PolarHBondContact O-N 3.18Å; K138-T142 PolarHBondContact O-N 2.85Å |
| 139 | K | 44.9 | Very low | 54.7 | Low | 131 Ų | 131 | 88.4 Ų | 88.4 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.5 | 175.8 | -75.4 | 169.8 | -177.9 | 167.2 | 0 | 114.4 | Q135 | Q135-K139 HydrophobicContact CB-CD 4.38Å; Q135-K139 VanDerWaalsContact O-CB 3.22Å; Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 WeakPolarHBondContact O-CG 3.42Å; Q135-K139 PolarHBondContact O-N 3.29Å |
| 140 | N | 39.2 | Very low | 53.6 | Low | 107 Ų | 107 | 85.7 Ų | 85.7 | 57% | 0.572 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 12.3 | 158.9 | -80.5 | -86.2 | 0 | 0 | 0 | 112.6 | K138 | K138-N140 PolarHBondContact O-N 3.19Š|
| 141 | I | 46.2 | Very low | 52.8 | Low | 102 Ų | 102 | 89.5 Ų | 89.5 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -20 | -174.7 | -54.8 | 173.8 | 0 | 0 | 0 | 112.4 | K138 | K138-I141 CarbonylContact O-C 3.52Å; K138-I141 WeakPolarHBondContact O-CA 3.36Å; K138-I141 WeakPolarHBondContact O-CB 3.47Å; K138-I141 PolarHBondContact O-N 3.18Å |
| 142 | T | 37.7 | Very low | 52.4 | Low | 91 Ų | 91 | 90.5 Ų | 90.5 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -54.4 | 135.4 | 144.4 | -53.1 | 0 | 0 | 0 | 0 | 107.4 | K138 P144 | K138-T142 PolarHBondContact O-N 2.85Å; T142-P144 VanDerWaalsContact O-CD 3.3Å; T142-P144 WeakPolarHBondContact O-CD 3.34Å |
| 143 | P | 30.4 | Very low | 52.2 | Low | 117 Ų | 117 | 90.1 Ų | 90.1 | 76% | 0.76 | 49% | 0.493 | S | S | * | . | trans | -55.3 | 115.5 | 177.5 | 22.6 | -33.7 | 0 | 0 | 0 | 108.7 | S145 | P143-S145 PolarHBondContact O-N 3.27Š| ||
| 144 | P | 34.9 | Very low | 52.6 | Low | 58 Ų | 58 | 90.6 Ų | 90.6 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | trans | -66.4 | 136.2 | -173.2 | 25.7 | -33.1 | 0 | 0 | 0 | 108.9 | T142 H146 D147 | T142-P144 VanDerWaalsContact O-CD 3.3Å; T142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-H146 PolarHBondContact O-N 3.06Å; P144-D147 HydrophobicContact CB-CB 4.2Å | ||
| 145 | S | 34.6 | Very low | 53.1 | Low | 117 Ų | 117 | 94.6 Ų | 94.6 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -70 | 78.6 | 167.9 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | P143 D147 | P143-S145 PolarHBondContact O-N 3.27Å; S145-D147 PolarHBondContact O-N 3.08Å |
| 146 | H | 36.5 | Very low | 54.3 | Low | 158 Ų | 158 | 94.8 Ų | 94.8 | 73% | 0.731 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 72.1 | 21.7 | 168.1 | -149.4 | -72.2 | 0 | 0 | 0 | 117.3 | P144 N148 | P144-H146 PolarHBondContact O-N 3.06Å; H146-N148 PolarHBondContact O-N 3.47Å; H146-N148 PolarHBondContact O-ND2 3.36Å |
| 147 | D | 45.4 | Very low | 55.9 | Low | 120 Ų | 120 | 93.1 Ų | 93.1 | 64% | 0.642 | 50% | 0.497 | S | S | * | . | trans | -87.3 | 95.5 | 171.4 | -92.1 | -41.9 | 0 | 0 | 0 | 112.7 | P144 S145 K149 | P144-D147 HydrophobicContact CB-CB 4.2Å; S145-D147 PolarHBondContact O-N 3.08Å; D147-K149 PolarHBondContact O-N 2.84Å | ||
| 148 | N | 58.5 | Low | 57.7 | Low | 92 Ų | 92 | 95 Ų | 95 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -3.5 | -171.7 | -63 | -81.3 | 0 | 0 | 0 | 116.6 | H146 N152 | H146-N148 PolarHBondContact O-N 3.47Å; H146-N148 PolarHBondContact O-ND2 3.36Å; N148-N152 VanDerWaalsContact O-CB 3.23Å; N148-N152 WeakPolarHBondContact O-CB 3.42Å; N148-N152 PolarHBondContact O-N 3.39Å; N148-N152 PolarHBondContact O-ND2 3.35Å |
| 149 | K | 63 | Low | 59.5 | Low | 163 Ų | 163 | 92.3 Ų | 92.3 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.7 | -46 | -165.6 | -165.3 | 175.2 | -178.2 | -178.7 | 0 | 113.6 | D147 N152 I153 | D147-K149 PolarHBondContact O-N 2.84Å; K149-N152 PolarHBondContact O-N 3.32Å; K149-I153 HydrophobicContact CG-CD1 4.32Å; K149-I153 WeakPolarHBondContact O-CG1 3.41Å; K149-I153 PolarHBondContact O-N 3.22Å; K149-I153 VanDerWaalsContact O-N 3.08Å |
| 150 | A | 61.9 | Low | 61.7 | Low | 26 Ų | 26 | 90.8 Ų | 90.8 | 22% | 0.215 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N152 I153 V154 | A150-N152 VanDerWaalsContact C-N 3.33Å; A150-N152 PolarHBondContact O-N 2.97Å; A150-I153 WeakPolarHBondContact O-CB 3.5Å; A150-I153 PolarHBondContact O-N 2.89Å; A150-V154 WeakPolarHBondContact O-CG2 3.17Å; A150-V154 PolarHBondContact O-N 2.99Å |
| 151 | D | 68.7 | Low | 64.1 | Low | 80 Ų | 80 | 90.9 Ų | 90.9 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -53.6 | -47 | 173.8 | -99.4 | 46.9 | 0 | 0 | 0 | 112.6 | I153 V154 K155 | D151-I153 VanDerWaalsContact C-N 3.32Å; D151-I153 PolarHBondContact O-N 3.34Å; D151-V154 PolarHBondContact O-N 2.87Å; D151-K155 VanDerWaalsContact O-CB 3.29Å; D151-K155 WeakPolarHBondContact O-CB 3.11Å; D151-K155 WeakPolarHBondContact O-CD 3.45Å; D151-K155 VanDerWaalsContact O-CG 3.22Å; D151-K155 WeakPolarHBondContact O-CG 3.31Å; D151-K155 PolarHBondContact O-N 3.14Å; D151-K155 IonicContact OD2-NZ 3.73Å; D151-K155 PolarHBondContact OD2-NZ 3.29Å |
| 152 | N | 72.1 | Confident | 66.3 | Low | 84 Ų | 84 | 87.1 Ų | 87.1 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 177.6 | -77.9 | -22.9 | 0 | 0 | 0 | 112.4 | N148 K149 A150 N156 | N148-N152 VanDerWaalsContact O-CB 3.23Å; N148-N152 WeakPolarHBondContact O-CB 3.42Å; N148-N152 PolarHBondContact O-N 3.39Å; N148-N152 PolarHBondContact O-ND2 3.35Å; K149-N152 PolarHBondContact O-N 3.32Å; A150-N152 VanDerWaalsContact C-N 3.33Å; A150-N152 PolarHBondContact O-N 2.97Å; N152-N156 VanDerWaalsContact O-CB 3.23Å; N152-N156 WeakPolarHBondContact O-CB 3.38Å; N152-N156 PolarHBondContact O-N 3.39Å; N152-N156 VanDerWaalsContact O-N 3.09Å; N152-N156 PolarHBondContact O-ND2 3.14Å |
| 153 | I | 75.8 | Confident | 68.9 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 27% | 0.272 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.5 | -49.9 | 174.1 | -70.5 | 164.7 | 0 | 0 | 0 | 110.2 | K149 A150 D151 K155 N156 F157 I246 | K149-I153 HydrophobicContact CG-CD1 4.32Å; K149-I153 WeakPolarHBondContact O-CG1 3.41Å; K149-I153 PolarHBondContact O-N 3.22Å; K149-I153 VanDerWaalsContact O-N 3.08Å; A150-I153 WeakPolarHBondContact O-CB 3.5Å; A150-I153 PolarHBondContact O-N 2.89Å; D151-I153 VanDerWaalsContact C-N 3.32Å; D151-I153 PolarHBondContact O-N 3.34Å; I153-K155 VanDerWaalsContact C-N 3.33Å; I153-K155 PolarHBondContact O-N 3.18Å; I153-N156 PolarHBondContact O-N 3.28Å; I153-F157 WeakPolarHBondContact O-CB 3.4Å; I153-F157 PolarHBondContact O-N 2.8Å; I153-I246 HydrophobicContact CD1-CD1 4Å; I153-I246 HydrophobicContact CG2-CB 4.23Å; I153-I246 HydrophobicContact CG2-CD1 4.16Å; I153-I246 HydrophobicContact CG2-CG2 4.25Å |
| 154 | V | 76.9 | Confident | 71.9 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | -179.9 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | A150 D151 I246 Y247 V250 | A150-V154 WeakPolarHBondContact O-CG2 3.17Å; A150-V154 PolarHBondContact O-N 2.99Å; D151-V154 PolarHBondContact O-N 2.87Å; V154-I246 HydrophobicContact CG2-CG2 3.9Å; V154-Y247 HydrophobicContact CG1-CD2 4.17Å; V154-V250 HydrophobicContact CG2-CG2 4.11Å |
| 155 | K | 78.1 | Confident | 74.6 | Confident | 146 Ų | 146 | 82.1 Ų | 82.1 | 64% | 0.635 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74.9 | -25.6 | -179.8 | -69.7 | 163 | -179.3 | 162.9 | 0 | 114.4 | D151 I153 | D151-K155 VanDerWaalsContact O-CB 3.29Å; D151-K155 WeakPolarHBondContact O-CB 3.11Å; D151-K155 WeakPolarHBondContact O-CD 3.45Å; D151-K155 VanDerWaalsContact O-CG 3.22Å; D151-K155 WeakPolarHBondContact O-CG 3.31Å; D151-K155 PolarHBondContact O-N 3.14Å; D151-K155 IonicContact OD2-NZ 3.73Å; D151-K155 PolarHBondContact OD2-NZ 3.29Å; I153-K155 VanDerWaalsContact C-N 3.33Å; I153-K155 PolarHBondContact O-N 3.18Å |
| 156 | N | 80.8 | Confident | 77.4 | Confident | 101 Ų | 101 | 80.3 Ų | 80.3 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -106.1 | -4.2 | -178 | -68.3 | -74.4 | 0 | 0 | 0 | 114.5 | N152 I153 K161 | N152-N156 VanDerWaalsContact O-CB 3.23Å; N152-N156 WeakPolarHBondContact O-CB 3.38Å; N152-N156 PolarHBondContact O-N 3.39Å; N152-N156 VanDerWaalsContact O-N 3.09Å; N152-N156 PolarHBondContact O-ND2 3.14Å; I153-N156 PolarHBondContact O-N 3.28Å; N156-K161 PolarHBondContact O-NZ 2.7Å |
| 157 | F | 87.6 | Confident | 80.2 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | trans | -63 | 135.6 | 172.3 | -175.6 | -103.8 | 0 | 0 | 0 | 110.2 | I153 P159 L162 I240 A244 Y247 Y248 | I153-F157 WeakPolarHBondContact O-CB 3.4Å; I153-F157 PolarHBondContact O-N 2.8Å; F157-P159 HydrophobicContact CE1-CB 4.46Å; F157-L162 HydrophobicContact CZ-CD2 4.49Å; F157-I240 HydrophobicContact CE2-CG2 4.07Å; F157-A244 HydrophobicContact CD2-CB 4.43Å; F157-A244 HydrophobicContact CE1-CB 4.42Å; F157-A244 VanDerWaalsContact CE2-CA 3.49Å; F157-A244 HydrophobicContact CE2-CB 3.5Å; F157-A244 VanDerWaalsContact CE2-CB 3.5Å; F157-A244 HydrophobicContact CZ-CB 3.49Å; F157-A244 VanDerWaalsContact CZ-CB 3.49Å; F157-Y247 HydrophobicContact CB-CD2 3.99Å; F157-Y247 HydrophobicContact CB-CG 4.24Å; F157-Y247 AromaticContact CD1-CD1 3.69Å; F157-Y247 HydrophobicContact CD1-CD1 3.69Å; F157-Y247 AromaticContact CD1-CD2 3.84Å; F157-Y247 HydrophobicContact CD1-CD2 3.84Å; F157-Y247 HydrophobicContact CD1-CE1 4.25Å; F157-Y247 HydrophobicContact CD1-CE2 4.37Å; F157-Y247 AromaticContact CD1-CG 3.47Å; F157-Y247 HydrophobicContact CD1-CG 3.47Å; F157-Y247 VanDerWaalsContact CD1-CG 3.47Å; F157-Y247 AromaticContact CE1-CD1 3.99Å; F157-Y247 HydrophobicContact CE1-CD1 3.99Å; F157-Y247 HydrophobicContact CE1-CG 4.18Å; F157-Y247 HydrophobicContact CG-CD2 4.27Å; F157-Y247 HydrophobicContact CG-CG 4.06Å; F157-Y248 HydrophobicContact CE1-CE2 4.18Å; F157-Y248 HydrophobicContact CZ-CE2 4.36Å | ||
| 158 | N | 86.8 | Confident | 82.4 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | trans | -143 | 119.8 | 177.4 | 177.3 | -15.7 | 0 | 0 | 0 | 107.9 | E160 K161 | N158-E160 PolarHBondContact O-N 3.27Å; N158-E160 WeakPolarHBondContact OD1-CB 3.41Å; N158-E160 PolarHBondContact OD1-N 3.26Å; N158-K161 HydrophobicContact CB-CD 4.11Å; N158-K161 HydrophobicContact CB-CG 4.15Å; N158-K161 WeakPolarHBondContact O-CB 3.37Å; N158-K161 PolarHBondContact O-N 3.5Å; N158-K161 VanDerWaalsContact O-N 3.11Å | ||
| 159 | P | 89.1 | Confident | 84.1 | Confident | 55 Ų | 55 | 74 Ų | 74 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -26.8 | -178.1 | 26.1 | -34.8 | 0 | 0 | 0 | 113.2 | F157 K161 L162 L163 | F157-P159 HydrophobicContact CE1-CB 4.46Å; P159-K161 VanDerWaalsContact C-N 3.28Å; P159-K161 PolarHBondContact O-N 2.87Å; P159-L162 WeakPolarHBondContact O-CB 3.35Å; P159-L162 PolarHBondContact O-N 2.65Å; P159-L163 WeakPolarHBondContact O-CG 3.45Å; P159-L163 PolarHBondContact O-N 2.99Å |
| 160 | E | 91 | Very high | 85.6 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 175.5 | -63.7 | -53.8 | 140.3 | 0 | 0 | 112 | N158 L162 L163 D164 | N158-E160 PolarHBondContact O-N 3.27Å; N158-E160 WeakPolarHBondContact OD1-CB 3.41Å; N158-E160 PolarHBondContact OD1-N 3.26Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.15Å; E160-L163 PolarHBondContact O-N 2.94Å; E160-D164 VanDerWaalsContact O-CB 3.27Å; E160-D164 WeakPolarHBondContact O-CB 3.38Å; E160-D164 PolarHBondContact O-N 3.32Å |
| 161 | K | 91.1 | Very high | 87 | Confident | 109 Ų | 109 | 76 Ų | 76 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -34.2 | 174.8 | -63.2 | 175.7 | -175.4 | 166.3 | 0 | 111.7 | N156 N158 P159 T165 I240 | N156-K161 PolarHBondContact O-NZ 2.7Å; N158-K161 HydrophobicContact CB-CD 4.11Å; N158-K161 HydrophobicContact CB-CG 4.15Å; N158-K161 WeakPolarHBondContact O-CB 3.37Å; N158-K161 PolarHBondContact O-N 3.5Å; N158-K161 VanDerWaalsContact O-N 3.11Å; P159-K161 VanDerWaalsContact C-N 3.28Å; P159-K161 PolarHBondContact O-N 2.87Å; K161-T165 WeakPolarHBondContact O-CB 3.36Å; K161-T165 PolarHBondContact O-N 2.84Å; K161-T165 VanDerWaalsContact O-N 3.15Å; K161-T165 PolarHBondContact O-OG1 3.45Å; K161-I240 HydrophobicContact CB-CD1 4.45Å |
| 162 | L | 90.7 | Very high | 88.1 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.8 | -49.1 | 175.3 | 177 | 57.2 | 0 | 0 | 0 | 110.5 | F157 P159 E160 D164 T165 L166 L237 I240 L241 A244 | F157-L162 HydrophobicContact CZ-CD2 4.49Å; P159-L162 WeakPolarHBondContact O-CB 3.35Å; P159-L162 PolarHBondContact O-N 2.65Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.15Å; L162-D164 PolarHBondContact O-N 3.06Å; L162-T165 PolarHBondContact O-N 3.31Å; L162-L166 HydrophobicContact CD1-CD1 4.02Å; L162-L166 HydrophobicContact CD1-CG 4.29Å; L162-L166 HydrophobicContact CG-CD1 4.07Å; L162-L166 WeakPolarHBondContact O-CG 3.38Å; L162-L166 PolarHBondContact O-N 3.49Å; L162-L237 HydrophobicContact CD1-CD1 3.42Å; L162-L237 VanDerWaalsContact CD1-CD1 3.42Å; L162-I240 HydrophobicContact CB-CG2 3.73Å; L162-I240 HydrophobicContact CD1-CG2 4.02Å; L162-I240 HydrophobicContact CG-CG2 4.4Å; L162-L241 HydrophobicContact CD1-CD2 3.76Å; L162-L241 HydrophobicContact CD1-CG 4.16Å; L162-L241 HydrophobicContact CD2-CD2 4.3Å; L162-A244 HydrophobicContact CD2-CB 4.4Å |
| 163 | L | 92.9 | Very high | 89 | Confident | 86 Ų | 86 | 71.4 Ų | 71.4 | 45% | 0.45 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178 | -66 | 177 | 0 | 0 | 0 | 112.4 | P159 E160 L166 R167 | P159-L163 WeakPolarHBondContact O-CG 3.45Å; P159-L163 PolarHBondContact O-N 2.99Å; E160-L163 PolarHBondContact O-N 2.94Å; L163-L166 PolarHBondContact O-N 3.33Å; L163-R167 WeakPolarHBondContact O-CB 3.5Å; L163-R167 PolarHBondContact O-N 2.96Å |
| 164 | D | 93 | Very high | 89.7 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 175.1 | -81.3 | -6.8 | 0 | 0 | 0 | 112.1 | E160 L162 R167 K168 | E160-D164 VanDerWaalsContact O-CB 3.27Å; E160-D164 WeakPolarHBondContact O-CB 3.38Å; E160-D164 PolarHBondContact O-N 3.32Å; L162-D164 PolarHBondContact O-N 3.06Å; D164-R167 PolarHBondContact O-N 3.41Å; D164-R167 IonicContact OD1-CZ 2.78Å; D164-R167 IonicContact OD1-NH1 3.53Å; D164-R167 PolarHBondContact OD1-NH1 3.32Å; D164-R167 IonicContact OD1-NH2 2.64Å; D164-R167 PolarHBondContact OD1-NH2 3.31Å; D164-K168 VanDerWaalsContact O-CG 3.29Å; D164-K168 WeakPolarHBondContact O-CG 3.31Å; D164-K168 PolarHBondContact O-N 2.97Å |
| 165 | T | 92.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 74.7 Ų | 74.7 | 8% | 0.08 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | -179.7 | -55 | 0 | 0 | 0 | 0 | 111 | K161 L162 R167 K168 I169 L237 I240 | K161-T165 WeakPolarHBondContact O-CB 3.36Å; K161-T165 PolarHBondContact O-N 2.84Å; K161-T165 VanDerWaalsContact O-N 3.15Å; K161-T165 PolarHBondContact O-OG1 3.45Å; L162-T165 PolarHBondContact O-N 3.31Å; T165-R167 PolarHBondContact O-N 3.34Å; T165-K168 PolarHBondContact O-N 3.49Å; T165-I169 HydrophobicContact CG2-CD1 4.15Å; T165-I169 WeakPolarHBondContact O-CG1 3.26Å; T165-I169 PolarHBondContact O-N 2.77Å; T165-L237 HydrophobicContact CG2-CB 3.87Å; T165-L237 HydrophobicContact CG2-CD1 4.41Å; T165-I240 HydrophobicContact CG2-CD1 4.46Å; T165-I240 WeakPolarHBondContact OG1-CD1 3.37Å |
| 166 | L | 93.7 | Very high | 90.6 | Very high | 80 Ų | 80 | 68 Ų | 68 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 171.7 | -71 | 167.3 | 0 | 0 | 0 | 111.9 | L162 L163 K168 I169 K170 L237 | L162-L166 HydrophobicContact CD1-CD1 4.02Å; L162-L166 HydrophobicContact CD1-CG 4.29Å; L162-L166 HydrophobicContact CG-CD1 4.07Å; L162-L166 WeakPolarHBondContact O-CG 3.38Å; L162-L166 PolarHBondContact O-N 3.49Å; L163-L166 PolarHBondContact O-N 3.33Å; L166-K168 PolarHBondContact O-N 3.22Å; L166-I169 PolarHBondContact O-N 3.47Å; L166-K170 PolarHBondContact O-N 2.97Å; L166-L237 HydrophobicContact CD2-CD1 3.82Å; L166-L237 HydrophobicContact CD2-CD2 3.8Å; L166-L237 HydrophobicContact CD2-CG 4.5Å; L166-L237 HydrophobicContact CG-CD1 3.95Å |
| 167 | R | 93.8 | Very high | 90.7 | Very high | 123 Ų | 123 | 69 Ų | 69 | 46% | 0.464 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 178 | -156.6 | -176 | -51.2 | 112.4 | 6.1 | 111.8 | L163 D164 T165 Q171 | L163-R167 WeakPolarHBondContact O-CB 3.5Å; L163-R167 PolarHBondContact O-N 2.96Å; D164-R167 PolarHBondContact O-N 3.41Å; D164-R167 IonicContact OD1-CZ 2.78Å; D164-R167 IonicContact OD1-NH1 3.53Å; D164-R167 PolarHBondContact OD1-NH1 3.32Å; D164-R167 IonicContact OD1-NH2 2.64Å; D164-R167 PolarHBondContact OD1-NH2 3.31Å; T165-R167 PolarHBondContact O-N 3.34Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 3.45Å; R167-Q171 VanDerWaalsContact O-N 3.1Å |
| 168 | K | 93.3 | Very high | 90.4 | Very high | 98 Ų | 98 | 71.2 Ų | 71.2 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 174.6 | -71.1 | 172 | -173 | 179 | 0 | 112.5 | D164 T165 L166 K170 Q171 L172 | D164-K168 VanDerWaalsContact O-CG 3.29Å; D164-K168 WeakPolarHBondContact O-CG 3.31Å; D164-K168 PolarHBondContact O-N 2.97Å; T165-K168 PolarHBondContact O-N 3.49Å; L166-K168 PolarHBondContact O-N 3.22Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.78Å; K168-Q171 PolarHBondContact O-N 2.97Å; K168-L172 WeakPolarHBondContact O-CG 3.4Å; K168-L172 PolarHBondContact O-N 3.45Å |
| 169 | I | 94 | Very high | 90 | Very high | 17 Ų | 17 | 71.2 Ų | 71.2 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.7 | -68.9 | 163.7 | 0 | 0 | 0 | 110.4 | T165 L166 Q171 L172 D173 H233 M234 L237 | T165-I169 HydrophobicContact CG2-CD1 4.15Å; T165-I169 WeakPolarHBondContact O-CG1 3.26Å; T165-I169 PolarHBondContact O-N 2.77Å; L166-I169 PolarHBondContact O-N 3.47Å; I169-Q171 VanDerWaalsContact C-N 3.35Å; I169-Q171 PolarHBondContact O-N 2.85Å; I169-L172 CarbonylContact O-C 3.39Å; I169-L172 PolarHBondContact O-N 3.25Å; I169-L172 VanDerWaalsContact O-N 3.15Å; I169-D173 PolarHBondContact O-N 3.02Å; I169-H233 HydrophobicContact CD1-CB 4.32Å; I169-H233 HydrophobicContact CG1-CB 3.74Å; I169-M234 HydrophobicContact CD1-CG 4.24Å; I169-L237 HydrophobicContact CD1-CB 3.79Å; I169-L237 HydrophobicContact CD1-CD2 3.6Å; I169-L237 HydrophobicContact CD1-CG 4.24Å |
| 170 | K | 93.7 | Very high | 89 | Confident | 125 Ų | 125 | 70.8 Ų | 70.8 | 54% | 0.543 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.7 | -174 | 177.3 | -175.3 | -67.6 | 0 | 112.7 | L166 K168 D173 E174 | L166-K170 PolarHBondContact O-N 2.97Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.78Å; K170-D173 PolarHBondContact O-N 2.95Å; K170-E174 IonicContact NZ-OE1 3.51Å; K170-E174 PolarHBondContact NZ-OE1 3.02Å; K170-E174 WeakPolarHBondContact O-CG 3.3Å; K170-E174 PolarHBondContact O-N 3.32Å; K170-E174 VanDerWaalsContact O-N 3.07Å |
| 171 | Q | 92.7 | Very high | 87.8 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 175.1 | -72.5 | 171.1 | -13.5 | 0 | 0 | 112.2 | R167 K168 I169 E174 I175 | R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 3.45Å; R167-Q171 VanDerWaalsContact O-N 3.1Å; K168-Q171 PolarHBondContact O-N 2.97Å; I169-Q171 VanDerWaalsContact C-N 3.35Å; I169-Q171 PolarHBondContact O-N 2.85Å; Q171-E174 PolarHBondContact O-N 3.33Å; Q171-I175 WeakPolarHBondContact O-CD1 3.39Å; Q171-I175 VanDerWaalsContact O-CG1 3.29Å; Q171-I175 WeakPolarHBondContact O-CG1 3.38Å; Q171-I175 PolarHBondContact O-N 3.06Å; Q171-I175 VanDerWaalsContact O-N 3.11Å |
| 172 | L | 90.9 | Very high | 86.7 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.1 | -34.2 | 175.8 | -69.6 | 168.5 | 0 | 0 | 0 | 112.4 | K168 I169 I175 C176 K226 E229 R230 H233 | K168-L172 WeakPolarHBondContact O-CG 3.4Å; K168-L172 PolarHBondContact O-N 3.45Å; I169-L172 CarbonylContact O-C 3.39Å; I169-L172 PolarHBondContact O-N 3.25Å; I169-L172 VanDerWaalsContact O-N 3.15Å; L172-I175 PolarHBondContact O-N 3.12Å; L172-C176 WeakPolarHBondContact O-CB 3.29Å; L172-C176 PolarHBondContact O-N 2.98Å; L172-C176 PolarHBondContact O-SG 3.48Å; L172-C176 VanDerWaalsContact O-SG 3.36Å; L172-K226 HydrophobicContact CD2-CD 3.73Å; L172-E229 HydrophobicContact CD1-CG 4.08Å; L172-E229 HydrophobicContact CD2-CG 4.13Å; L172-R230 HydrophobicContact CB-CB 4.33Å; L172-R230 HydrophobicContact CB-CG 4.49Å; L172-R230 HydrophobicContact CD1-CB 4.44Å; L172-H233 HydrophobicContact CD1-CB 4.43Å |
| 173 | D | 90.7 | Very high | 85.5 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 32% | 0.316 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 171.1 | -77.4 | -17.1 | 0 | 0 | 0 | 111.4 | I169 K170 I175 C176 E177 R230 | I169-D173 PolarHBondContact O-N 3.02Å; K170-D173 PolarHBondContact O-N 2.95Å; D173-I175 VanDerWaalsContact C-N 3.33Å; D173-I175 PolarHBondContact O-N 3.4Å; D173-C176 PolarHBondContact O-N 3.36Å; D173-E177 PolarHBondContact O-N 2.94Å; D173-R230 IonicContact OD1-CZ 2.78Å; D173-R230 IonicContact OD1-NE 2.7Å; D173-R230 PolarHBondContact OD1-NE 3.22Å; D173-R230 IonicContact OD1-NH2 2.66Å; D173-R230 PolarHBondContact OD1-NH2 3.49Å; D173-R230 IonicContact OD2-NH2 3.21Å |
| 174 | E | 90.3 | Very high | 84.4 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 50% | 0.495 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 177.5 | -72.7 | 166.4 | -166.7 | 0 | 0 | 112.3 | K170 Q171 S178 | K170-E174 IonicContact NZ-OE1 3.51Å; K170-E174 PolarHBondContact NZ-OE1 3.02Å; K170-E174 WeakPolarHBondContact O-CG 3.3Å; K170-E174 PolarHBondContact O-N 3.32Å; K170-E174 VanDerWaalsContact O-N 3.07Å; Q171-E174 PolarHBondContact O-N 3.33Å; E174-S178 WeakPolarHBondContact O-CB 3.44Å; E174-S178 PolarHBondContact O-N 3.49Å; E174-S178 VanDerWaalsContact O-N 3.15Å; E174-S178 PolarHBondContact O-OG 2.97Å |
| 175 | I | 88.7 | Confident | 83.2 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 173.4 | -66.9 | 163.7 | 0 | 0 | 0 | 111 | Q171 L172 D173 S178 H179 F222 K226 | Q171-I175 WeakPolarHBondContact O-CD1 3.39Å; Q171-I175 VanDerWaalsContact O-CG1 3.29Å; Q171-I175 WeakPolarHBondContact O-CG1 3.38Å; Q171-I175 PolarHBondContact O-N 3.06Å; Q171-I175 VanDerWaalsContact O-N 3.11Å; L172-I175 PolarHBondContact O-N 3.12Å; D173-I175 VanDerWaalsContact C-N 3.33Å; D173-I175 PolarHBondContact O-N 3.4Å; I175-S178 WeakPolarHBondContact CA-OG 3.37Å; I175-S178 PolarHBondContact O-OG 3.06Å; I175-S178 VanDerWaalsContact O-OG 3.06Å; I175-H179 WeakPolarHBondContact O-CB 3.42Å; I175-H179 PolarHBondContact O-CD2 3.45Å; I175-H179 VanDerWaalsContact O-CD2 3.32Å; I175-H179 PolarHBondContact O-N 3Å; I175-F222 HydrophobicContact CG2-CE1 4.27Å; I175-F222 HydrophobicContact CG2-CZ 4.39Å; I175-K226 HydrophobicContact CG2-CD 3.99Å; I175-K226 HydrophobicContact CG2-CG 4.01Å |
| 176 | C | 84.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 179.8 | -76.2 | 0 | 0 | 0 | 0 | 112.7 | L172 D173 G180 Y227 | L172-C176 WeakPolarHBondContact O-CB 3.29Å; L172-C176 PolarHBondContact O-N 2.98Å; L172-C176 PolarHBondContact O-SG 3.48Å; L172-C176 VanDerWaalsContact O-SG 3.36Å; D173-C176 PolarHBondContact O-N 3.36Å; C176-G180 WeakPolarHBondContact O-CA 3.29Å; C176-G180 PolarHBondContact O-N 3.15Å; C176-Y227 HydrophobicContact CB-CE1 3.98Å; C176-Y227 HydrophobicContact CB-CE2 4.38Å |
| 177 | E | 84 | Confident | 80.4 | Confident | 124 Ų | 124 | 76.1 Ų | 76.1 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.7 | -38 | 177.6 | -157.7 | -161.4 | 142.5 | 0 | 0 | 112.3 | D173 K181 | D173-E177 PolarHBondContact O-N 2.94Å; E177-K181 IonicContact OE1-NZ 3.22Å; E177-K181 PolarHBondContact OE1-NZ 2.9Å |
| 178 | S | 81.2 | Confident | 78.8 | Confident | 77 Ų | 77 | 71.7 Ų | 71.7 | 54% | 0.538 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | E174 I175 | E174-S178 WeakPolarHBondContact O-CB 3.44Å; E174-S178 PolarHBondContact O-N 3.49Å; E174-S178 VanDerWaalsContact O-N 3.15Å; E174-S178 PolarHBondContact O-OG 2.97Å; I175-S178 WeakPolarHBondContact CA-OG 3.37Å; I175-S178 PolarHBondContact O-OG 3.06Å; I175-S178 VanDerWaalsContact O-OG 3.06Å |
| 179 | H | 77.7 | Confident | 77.3 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 31% | 0.31 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -82.6 | -24.2 | 175.8 | -75.6 | -106.5 | 0 | 0 | 0 | 114 | I175 K181 F182 H219 F222 I223 | I175-H179 WeakPolarHBondContact O-CB 3.42Å; I175-H179 PolarHBondContact O-CD2 3.45Å; I175-H179 VanDerWaalsContact O-CD2 3.32Å; I175-H179 PolarHBondContact O-N 3Å; H179-K181 PolarHBondContact O-N 3.06Å; H179-F182 WeakPolarHBondContact O-CB 3.27Å; H179-F182 PolarHBondContact O-N 3.02Å; H179-H219 AromaticContact ND1-CE1 3.42Å; H179-H219 PolarHBondContact ND1-CE1 3.17Å; H179-H219 PolarHBondContact O-NE2 3.02Å; H179-F222 HydrophobicContact CB-CE1 4.33Å; H179-F222 AromaticContact CD2-CE1 3.85Å; H179-F222 AromaticContact CE1-CD1 3.96Å; H179-F222 AromaticContact CE1-CE1 3.34Å; H179-F222 WeakPolarHBondContact CE1-CE1 3.46Å; H179-F222 AromaticContact CE1-CZ 3.79Å; H179-F222 AromaticContact CG-CE1 3.58Å; H179-F222 AromaticContact ND1-CD1 3.54Å; H179-F222 AromaticContact ND1-CE1 3.25Å; H179-F222 VanDerWaalsContact ND1-CE1 3.25Å; H179-F222 WeakPolarHBondContact ND1-CE1 3.39Å; H179-F222 AromaticContact NE2-CE1 3.71Å; H179-I223 HydrophobicContact CB-CG1 4.07Å; H179-I223 WeakPolarHBondContact O-CD1 2.99Å |
| 180 | G | 67.6 | Low | 76 | Confident | 45 Ų | 45 | 78 Ų | 78 | 46% | 0.464 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -15.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | C176 F182 | C176-G180 WeakPolarHBondContact O-CA 3.29Å; C176-G180 PolarHBondContact O-N 3.15Å; G180-F182 PolarHBondContact O-N 3.15Å |
| 181 | K | 66.2 | Low | 75 | Confident | 154 Ų | 154 | 75.5 Ų | 75.5 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 21.1 | 175.2 | -66.1 | 170.7 | -172.8 | 160.8 | 0 | 113.2 | E177 H179 D183 | E177-K181 IonicContact OE1-NZ 3.22Å; E177-K181 PolarHBondContact OE1-NZ 2.9Å; H179-K181 PolarHBondContact O-N 3.06Å; K181-D183 PolarHBondContact O-N 2.79Å |
| 182 | F | 68.8 | Low | 74.1 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 30% | 0.303 | 42% | 0.423 | S | S | . | . | trans | -74.1 | 120.6 | 177.3 | 179.4 | -89.9 | 0 | 0 | 0 | 111.1 | H179 G180 I184 C216 H219 | H179-F182 WeakPolarHBondContact O-CB 3.27Å; H179-F182 PolarHBondContact O-N 3.02Å; G180-F182 PolarHBondContact O-N 3.15Å; F182-I184 HydrophobicContact CD1-CG1 4.29Å; F182-I184 PolarHBondContact O-N 2.84Å; F182-C216 HydrophobicContact CE1-CB 3.93Å; F182-C216 VanDerWaalsContact CE1-SG 3.54Å; F182-C216 HydrophobicContact CZ-CB 4.18Å; F182-C216 VanDerWaalsContact CZ-SG 3.54Å; F182-H219 VanDerWaalsContact CB-CD2 3.43Å; F182-H219 WeakPolarHBondContact CB-CD2 3.4Å; F182-H219 VanDerWaalsContact CB-NE2 3.26Å; F182-H219 WeakPolarHBondContact CB-NE2 3.37Å; F182-H219 AromaticContact CD1-CD2 3.9Å; F182-H219 HydrophobicContact CD2-CB 4.1Å; F182-H219 AromaticContact CD2-CD2 3.54Å; F182-H219 AromaticContact CD2-CE1 3.71Å; F182-H219 AromaticContact CD2-CG 3.48Å; F182-H219 VanDerWaalsContact CD2-CG 3.48Å; F182-H219 AromaticContact CD2-ND1 3.62Å; F182-H219 AromaticContact CD2-NE2 3.7Å; F182-H219 HydrophobicContact CE1-CB 4.37Å; F182-H219 HydrophobicContact CE2-CB 3.93Å; F182-H219 AromaticContact CE2-CG 3.8Å; F182-H219 HydrophobicContact CG-CB 4.4Å; F182-H219 AromaticContact CG-CD2 3.34Å; F182-H219 WeakPolarHBondContact CG-CD2 3.44Å; F182-H219 AromaticContact CG-CG 3.75Å; F182-H219 AromaticContact CG-NE2 3.61Å; F182-H219 HydrophobicContact CZ-CB 4.07Å | ||
| 183 | D | 65.1 | Low | 73.5 | Confident | 94 Ų | 94 | 80.8 Ų | 80.8 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | trans | -76.4 | 119.8 | -175.4 | -172.2 | 18.9 | 0 | 0 | 0 | 111.9 | K181 S185 P186 | K181-D183 PolarHBondContact O-N 2.79Å; D183-S185 WeakPolarHBondContact OD1-CB 3.36Å; D183-S185 PolarHBondContact OD1-N 3.3Å; D183-S185 PolarHBondContact OD1-OG 2.9Å; D183-S185 WeakPolarHBondContact OD2-CB 3.39Å; D183-P186 WeakPolarHBondContact O-CD 3.4Å | ||
| 184 | I | 69.7 | Low | 72.9 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | trans | -93.1 | -7.5 | 176.1 | -47.1 | 178.2 | 0 | 0 | 0 | 110.6 | F182 P186 L187 Y189 | F182-I184 HydrophobicContact CD1-CG1 4.29Å; F182-I184 PolarHBondContact O-N 2.84Å; I184-P186 VanDerWaalsContact C-N 3.28Å; I184-L187 PolarHBondContact O-N 3.37Å; I184-Y189 HydrophobicContact CG2-CD2 3.89Å; I184-Y189 HydrophobicContact CG2-CG 4.46Å | ||
| 185 | S | 67.8 | Low | 72.3 | Confident | 80 Ų | 80 | 79.2 Ų | 79.2 | 56% | 0.559 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -52.6 | -32.7 | 176.4 | -50.4 | 0 | 0 | 0 | 0 | 114.9 | D183 L187 G188 | D183-S185 WeakPolarHBondContact OD1-CB 3.36Å; D183-S185 PolarHBondContact OD1-N 3.3Å; D183-S185 PolarHBondContact OD1-OG 2.9Å; D183-S185 WeakPolarHBondContact OD2-CB 3.39Å; S185-L187 PolarHBondContact O-N 3.38Å; S185-L187 VanDerWaalsContact O-N 3.15Å; S185-G188 PolarHBondContact O-N 2.9Å |
| 186 | P | 64.9 | Low | 71.8 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -60.2 | -21.1 | 174.9 | -25.7 | 36 | 0 | 0 | 0 | 115 | D183 I184 G188 Q212 | D183-P186 WeakPolarHBondContact O-CD 3.4Å; I184-P186 VanDerWaalsContact C-N 3.28Å; P186-G188 VanDerWaalsContact C-N 3.28Å; P186-Q212 VanDerWaalsContact CB-OE1 3.3Å |
| 187 | L | 62.7 | Low | 71.6 | Confident | 48 Ų | 48 | 81.7 Ų | 81.7 | 25% | 0.251 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -82.5 | -1.9 | 172.6 | -89.5 | 64 | 0 | 0 | 0 | 113.3 | I184 S185 Q212 V213 C216 | I184-L187 PolarHBondContact O-N 3.37Å; S185-L187 PolarHBondContact O-N 3.38Å; S185-L187 VanDerWaalsContact O-N 3.15Å; L187-Q212 HydrophobicContact CD1-CB 4.29Å; L187-V213 HydrophobicContact CD1-CG2 4.48Å; L187-V213 HydrophobicContact CD2-CG2 4.02Å; L187-V213 HydrophobicContact CG-CG2 4.05Å; L187-C216 HydrophobicContact CD1-CB 4.14Å; L187-C216 WeakPolarHBondContact CD1-SG 3.48Å; L187-C216 HydrophobicContact CD2-CB 4.28Å |
| 188 | G | 61.1 | Low | 71.4 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 31% | 0.309 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 37.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S185 P186 G190 T191 | S185-G188 PolarHBondContact O-N 2.9Å; P186-G188 VanDerWaalsContact C-N 3.28Å; G188-G190 PolarHBondContact O-N 3.06Å; G188-T191 PolarHBondContact O-N 2.76Å; G188-T191 PolarHBondContact O-OG1 2.75Å |
| 189 | Y | 60.8 | Low | 71.4 | Confident | 173 Ų | 173 | 80.2 Ų | 80.2 | 68% | 0.678 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 107.1 | -174.4 | -168.5 | -87.7 | 0 | 0 | 0 | 112.4 | I184 | I184-Y189 HydrophobicContact CG2-CD2 3.89Å; I184-Y189 HydrophobicContact CG2-CG 4.46Å |
| 190 | G | 67.1 | Low | 71.7 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 76% | 0.763 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.9 | -19.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G188 | G188-G190 PolarHBondContact O-N 3.06Š|
| 191 | T | 71.6 | Confident | 72.5 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -80.1 | 141.2 | 163.7 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | G188 I193 T196 | G188-T191 PolarHBondContact O-N 2.76Å; G188-T191 PolarHBondContact O-OG1 2.75Å; T191-I193 PolarHBondContact O-N 3.39Å; T191-T196 PolarHBondContact OG1-OG1 2.93Å |
| 192 | P | 74.9 | Confident | 73.5 | Confident | 82 Ų | 82 | 81.4 Ų | 81.4 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | trans | -65.5 | 136 | 173.5 | 27 | -32.9 | 0 | 0 | 0 | 109.5 | S194 S195 T196 | P192-S194 PolarHBondContact O-N 2.92Å; P192-S195 WeakPolarHBondContact CD-OG 3.39Å; P192-S195 PolarHBondContact O-N 3.13Å; P192-S195 PolarHBondContact O-OG 3.05Å; P192-T196 PolarHBondContact O-N 3.3Å | ||
| 193 | I | 78 | Confident | 74.4 | Confident | 143 Ų | 143 | 85.7 Ų | 85.7 | 73% | 0.733 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.1 | -28.9 | -174 | -165.8 | 168.4 | 0 | 0 | 0 | 113.4 | T191 T196 V197 | T191-I193 PolarHBondContact O-N 3.39Å; I193-T196 PolarHBondContact O-N 2.95Å; I193-V197 HydrophobicContact CG1-CG2 4.32Å; I193-V197 WeakPolarHBondContact O-CB 3.45Å; I193-V197 VanDerWaalsContact O-CG2 3.32Å; I193-V197 WeakPolarHBondContact O-CG2 3.49Å; I193-V197 PolarHBondContact O-N 3.22Å |
| 194 | S | 77.6 | Confident | 75.4 | Confident | 78 Ų | 78 | 87.1 Ų | 87.1 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 173.4 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | P192 S198 | P192-S194 PolarHBondContact O-N 2.92Å; S194-S198 WeakPolarHBondContact O-CB 3.27Å; S194-S198 PolarHBondContact O-N 2.78Å; S194-S198 PolarHBondContact O-OG 3.29Å |
| 195 | S | 78.5 | Confident | 76.1 | Confident | 53 Ų | 53 | 88.1 Ų | 88.1 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.8 | -37.7 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 111.7 | P192 S198 S199 | P192-S195 WeakPolarHBondContact CD-OG 3.39Å; P192-S195 PolarHBondContact O-N 3.13Å; P192-S195 PolarHBondContact O-OG 3.05Å; S195-S198 PolarHBondContact O-N 3.46Å; S195-S199 WeakPolarHBondContact O-CB 3.49Å; S195-S199 PolarHBondContact O-N 3.5Å; S195-S199 PolarHBondContact O-OG 3.1Å |
| 196 | T | 78.2 | Confident | 76.9 | Confident | 25 Ų | 25 | 86.6 Ų | 86.6 | 15% | 0.153 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.4 | -42.6 | 0 | 0 | 0 | 0 | 111.4 | T191 P192 I193 S199 L209 | T191-T196 PolarHBondContact OG1-OG1 2.93Å; P192-T196 PolarHBondContact O-N 3.3Å; I193-T196 PolarHBondContact O-N 2.95Å; T196-S199 PolarHBondContact O-N 3.46Å; T196-S199 PolarHBondContact O-OG 3.5Å; T196-L209 HydrophobicContact CG2-CD2 4.1Å |
| 197 | V | 81.3 | Confident | 78.1 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | I193 S199 L200 | I193-V197 HydrophobicContact CG1-CG2 4.32Å; I193-V197 WeakPolarHBondContact O-CB 3.45Å; I193-V197 VanDerWaalsContact O-CG2 3.32Å; I193-V197 WeakPolarHBondContact O-CG2 3.49Å; I193-V197 PolarHBondContact O-N 3.22Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 3.37Å; V197-L200 PolarHBondContact O-N 3Å |
| 198 | S | 79.7 | Confident | 79.3 | Confident | 99 Ų | 99 | 91 Ų | 91 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.6 | -16.7 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 114 | S194 S195 | S194-S198 WeakPolarHBondContact O-CB 3.27Å; S194-S198 PolarHBondContact O-N 2.78Å; S194-S198 PolarHBondContact O-OG 3.29Å; S195-S198 PolarHBondContact O-N 3.46Å |
| 199 | S | 80.3 | Confident | 80.5 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -83.7 | -18 | 176.3 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | S195 T196 V197 K201 | S195-S199 WeakPolarHBondContact O-CB 3.49Å; S195-S199 PolarHBondContact O-N 3.5Å; S195-S199 PolarHBondContact O-OG 3.1Å; T196-S199 PolarHBondContact O-N 3.46Å; T196-S199 PolarHBondContact O-OG 3.5Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 3.37Å; S199-K201 PolarHBondContact O-N 3.37Å; S199-K201 VanDerWaalsContact O-N 3.15Å |
| 200 | L | 83.1 | Confident | 81.8 | Confident | 51 Ų | 51 | 87 Ų | 87 | 27% | 0.267 | 50% | 0.496 | S | S | . | . | trans | -64.8 | 108.6 | 174.9 | -59.5 | 173.9 | 0 | 0 | 0 | 110.3 | V197 E205 L209 | V197-L200 PolarHBondContact O-N 3Å; L200-E205 HydrophobicContact CD2-CB 3.79Å; L200-L209 HydrophobicContact CD1-CD2 4.11Å; L200-L209 HydrophobicContact CD2-CB 4.49Å; L200-L209 HydrophobicContact CD2-CD2 4.14Å | ||
| 201 | K | 85.5 | Confident | 82.9 | Confident | 193 Ų | 193 | 84.9 Ų | 84.9 | 84% | 0.839 | 48% | 0.475 | S | S | * | . | trans | -103.2 | -20.8 | 179.5 | -72.2 | 172.6 | -176 | 174.3 | 0 | 112.7 | S199 E205 | S199-K201 PolarHBondContact O-N 3.37Å; S199-K201 VanDerWaalsContact O-N 3.15Å; K201-E205 PolarHBondContact N-OE2 2.98Å; K201-E205 VanDerWaalsContact N-OE2 3.11Å | ||
| 202 | S | 86.5 | Confident | 83.6 | Confident | 48 Ų | 48 | 84.3 Ų | 84.3 | 34% | 0.336 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -115.9 | 153.7 | 179 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | E204 E205 S206 | S202-E204 PolarHBondContact O-N 2.99Å; S202-E205 WeakPolarHBondContact CA-OE2 3.25Å; S202-E205 VanDerWaalsContact CB-OE2 3.3Å; S202-E205 WeakPolarHBondContact CB-OE2 3.42Å; S202-E205 PolarHBondContact N-OE2 2.95Å; S202-E205 WeakPolarHBondContact OG-CB 3.49Å; S202-E205 WeakPolarHBondContact OG-CG 3.39Å; S202-E205 PolarHBondContact OG-N 3.05Å; S202-E205 PolarHBondContact OG-OE2 3.27Å; S202-S206 PolarHBondContact O-N 2.88Å |
| 203 | K | 87.7 | Confident | 84.2 | Confident | 158 Ų | 158 | 83 Ų | 83 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.2 | -23.4 | 172.1 | -164.7 | 169.4 | -174.7 | 172.3 | 0 | 112.1 | R207 | K203-R207 WeakPolarHBondContact O-CG 3.41Å; K203-R207 PolarHBondContact O-N 2.79Å |
| 204 | E | 86.9 | Confident | 84.8 | Confident | 125 Ų | 125 | 79.7 Ų | 79.7 | 58% | 0.584 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -82.7 | -40.6 | -177.9 | -159.8 | 54 | -137.1 | 0 | 0 | 112.5 | S202 S206 R207 S208 | S202-E204 PolarHBondContact O-N 2.99Å; E204-S206 PolarHBondContact O-N 3.17Å; E204-R207 PolarHBondContact O-N 3.32Å; E204-R207 WeakPolarHBondContact OE2-CD 3.5Å; E204-R207 IonicContact OE2-NE 2.7Å; E204-S208 WeakPolarHBondContact O-CB 3.37Å; E204-S208 PolarHBondContact O-N 3.25Å |
| 205 | E | 84.2 | Confident | 85.4 | Confident | 93 Ų | 93 | 82.8 Ų | 82.8 | 44% | 0.435 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -56.2 | -42 | 167.4 | -68.6 | 155 | 145 | 0 | 0 | 110.5 | L200 K201 S202 S208 L209 | L200-E205 HydrophobicContact CD2-CB 3.79Å; K201-E205 PolarHBondContact N-OE2 2.98Å; K201-E205 VanDerWaalsContact N-OE2 3.11Å; S202-E205 WeakPolarHBondContact CA-OE2 3.25Å; S202-E205 VanDerWaalsContact CB-OE2 3.3Å; S202-E205 WeakPolarHBondContact CB-OE2 3.42Å; S202-E205 PolarHBondContact N-OE2 2.95Å; S202-E205 WeakPolarHBondContact OG-CB 3.49Å; S202-E205 WeakPolarHBondContact OG-CG 3.39Å; S202-E205 PolarHBondContact OG-N 3.05Å; S202-E205 PolarHBondContact OG-OE2 3.27Å; E205-S208 PolarHBondContact O-N 2.85Å; E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.32Å |
| 206 | S | 85.3 | Confident | 85.8 | Confident | 49 Ų | 49 | 81 Ų | 81 | 34% | 0.343 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 113 | S202 E204 T210 | S202-S206 PolarHBondContact O-N 2.88Å; E204-S206 PolarHBondContact O-N 3.17Å; S206-T210 WeakPolarHBondContact O-CB 3.3Å; S206-T210 PolarHBondContact O-N 3.45Å; S206-T210 PolarHBondContact O-OG1 3.49Å |
| 207 | R | 89.5 | Confident | 86.3 | Confident | 145 Ų | 145 | 82.9 Ų | 82.9 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 172.2 | -73.8 | -178.9 | -167.1 | -74.5 | 15 | 112.2 | K203 E204 T210 G211 | K203-R207 WeakPolarHBondContact O-CG 3.41Å; K203-R207 PolarHBondContact O-N 2.79Å; E204-R207 PolarHBondContact O-N 3.32Å; E204-R207 WeakPolarHBondContact OE2-CD 3.5Å; E204-R207 IonicContact OE2-NE 2.7Å; R207-T210 PolarHBondContact O-N 3.49Å; R207-G211 PolarHBondContact O-N 3.31Å |
| 208 | S | 87.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | E204 E205 T210 G211 Q212 | E204-S208 WeakPolarHBondContact O-CB 3.37Å; E204-S208 PolarHBondContact O-N 3.25Å; E205-S208 PolarHBondContact O-N 2.85Å; S208-T210 PolarHBondContact O-N 3.14Å; S208-G211 PolarHBondContact O-N 3.37Å; S208-Q212 WeakPolarHBondContact O-CG 3.25Å; S208-Q212 PolarHBondContact O-N 3.11Å; S208-Q212 PolarHBondContact O-NE2 2.97Å; S208-Q212 PolarHBondContact OG-NE2 3.43Å; S208-Q212 VanDerWaalsContact OG-NE2 3.15Å |
| 209 | L | 86.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 17% | 0.168 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.9 | -177.4 | 65.1 | 0 | 0 | 0 | 111.3 | T196 L200 E205 G211 Q212 V213 | T196-L209 HydrophobicContact CG2-CD2 4.1Å; L200-L209 HydrophobicContact CD1-CD2 4.11Å; L200-L209 HydrophobicContact CD2-CB 4.49Å; L200-L209 HydrophobicContact CD2-CD2 4.14Å; E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.32Å; L209-G211 VanDerWaalsContact C-N 3.34Å; L209-G211 PolarHBondContact O-N 2.95Å; L209-Q212 PolarHBondContact O-N 3.04Å; L209-V213 HydrophobicContact CD1-CG2 4.26Å; L209-V213 HydrophobicContact CG-CG2 4.29Å; L209-V213 WeakPolarHBondContact O-CB 3.35Å; L209-V213 VanDerWaalsContact O-CG2 3.28Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.99Å |
| 210 | T | 88.2 | Confident | 87.5 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 53% | 0.528 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | S206 R207 S208 Q212 V213 D214 | S206-T210 WeakPolarHBondContact O-CB 3.3Å; S206-T210 PolarHBondContact O-N 3.45Å; S206-T210 PolarHBondContact O-OG1 3.49Å; R207-T210 PolarHBondContact O-N 3.49Å; S208-T210 PolarHBondContact O-N 3.14Å; T210-Q212 VanDerWaalsContact C-N 3.32Å; T210-Q212 PolarHBondContact O-N 3Å; T210-V213 PolarHBondContact O-N 2.73Å; T210-D214 WeakPolarHBondContact O-CB 3.23Å; T210-D214 PolarHBondContact O-N 3.39Å |
| 211 | G | 89.7 | Confident | 87.9 | Confident | 31 Ų | 31 | 85.4 Ų | 85.4 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70.9 | -23 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R207 S208 L209 K215 | R207-G211 PolarHBondContact O-N 3.31Å; S208-G211 PolarHBondContact O-N 3.37Å; L209-G211 VanDerWaalsContact C-N 3.34Å; L209-G211 PolarHBondContact O-N 2.95Å; G211-K215 WeakPolarHBondContact O-CD 3.44Å; G211-K215 VanDerWaalsContact O-CG 3.23Å; G211-K215 WeakPolarHBondContact O-CG 3.38Å; G211-K215 PolarHBondContact O-N 3.41Å |
| 212 | Q | 87.1 | Confident | 88.1 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 28% | 0.28 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -76.9 | -49.4 | 169.5 | -72.1 | 174.4 | 71.3 | 0 | 0 | 110.7 | P186 L187 S208 L209 T210 D214 K215 C216 | P186-Q212 VanDerWaalsContact CB-OE1 3.3Å; L187-Q212 HydrophobicContact CD1-CB 4.29Å; S208-Q212 WeakPolarHBondContact O-CG 3.25Å; S208-Q212 PolarHBondContact O-N 3.11Å; S208-Q212 PolarHBondContact O-NE2 2.97Å; S208-Q212 PolarHBondContact OG-NE2 3.43Å; S208-Q212 VanDerWaalsContact OG-NE2 3.15Å; L209-Q212 PolarHBondContact O-N 3.04Å; T210-Q212 VanDerWaalsContact C-N 3.32Å; T210-Q212 PolarHBondContact O-N 3Å; Q212-D214 VanDerWaalsContact C-N 3.33Å; Q212-D214 PolarHBondContact O-N 3.34Å; Q212-K215 WeakPolarHBondContact O-CB 3.5Å; Q212-K215 PolarHBondContact O-N 3.03Å; Q212-K215 VanDerWaalsContact O-N 3.14Å; Q212-C216 PolarHBondContact O-N 3.25Å; Q212-C216 PolarHBondContact O-SG 3.5Å |
| 213 | V | 88 | Confident | 88.2 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.3 | -46.7 | 176 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | L187 L209 T210 K215 C216 C217 | L187-V213 HydrophobicContact CD1-CG2 4.48Å; L187-V213 HydrophobicContact CD2-CG2 4.02Å; L187-V213 HydrophobicContact CG-CG2 4.05Å; L209-V213 HydrophobicContact CD1-CG2 4.26Å; L209-V213 HydrophobicContact CG-CG2 4.29Å; L209-V213 WeakPolarHBondContact O-CB 3.35Å; L209-V213 VanDerWaalsContact O-CG2 3.28Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 2.99Å; T210-V213 PolarHBondContact O-N 2.73Å; V213-K215 PolarHBondContact O-N 2.89Å; V213-C216 PolarHBondContact O-N 2.96Å; V213-C217 WeakPolarHBondContact O-CB 3.32Å; V213-C217 PolarHBondContact O-N 3.43Å; V213-C217 PolarHBondContact O-SG 3.04Å; V213-C217 VanDerWaalsContact O-SG 3.32Å |
| 214 | D | 90.6 | Very high | 88.3 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.7 | 173.6 | 66.8 | 0 | 0 | 0 | 112.9 | T210 Q212 K218 | T210-D214 WeakPolarHBondContact O-CB 3.23Å; T210-D214 PolarHBondContact O-N 3.39Å; Q212-D214 VanDerWaalsContact C-N 3.33Å; Q212-D214 PolarHBondContact O-N 3.34Å; D214-K218 WeakPolarHBondContact O-CB 3.33Å; D214-K218 WeakPolarHBondContact O-CD 3.23Å; D214-K218 WeakPolarHBondContact O-CG 3.42Å; D214-K218 PolarHBondContact O-N 2.97Å; D214-K218 WeakPolarHBondContact OD1-CE 3.43Å; D214-K218 IonicContact OD1-NZ 3.2Å; D214-K218 PolarHBondContact OD1-NZ 3.45Å; D214-K218 IonicContact OD2-NZ 2.63Å; D214-K218 PolarHBondContact OD2-NZ 3.15Å |
| 215 | K | 88.8 | Confident | 88.6 | Confident | 142 Ų | 142 | 79.7 Ų | 79.7 | 62% | 0.617 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 173.6 | -72.6 | 169 | -174.8 | 177.3 | 0 | 111.7 | G211 Q212 V213 K218 H219 | G211-K215 WeakPolarHBondContact O-CD 3.44Å; G211-K215 VanDerWaalsContact O-CG 3.23Å; G211-K215 WeakPolarHBondContact O-CG 3.38Å; G211-K215 PolarHBondContact O-N 3.41Å; Q212-K215 WeakPolarHBondContact O-CB 3.5Å; Q212-K215 PolarHBondContact O-N 3.03Å; Q212-K215 VanDerWaalsContact O-N 3.14Å; V213-K215 PolarHBondContact O-N 2.89Å; K215-K218 PolarHBondContact O-N 3.24Å; K215-H219 WeakPolarHBondContact O-CB 3.43Å; K215-H219 PolarHBondContact O-N 3.35Å |
| 216 | C | 86.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 77.2 Ų | 77.2 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.3 | -38.1 | -179.5 | -60.7 | 0 | 0 | 0 | 0 | 112 | F182 L187 Q212 V213 H219 L220 | F182-C216 HydrophobicContact CE1-CB 3.93Å; F182-C216 VanDerWaalsContact CE1-SG 3.54Å; F182-C216 HydrophobicContact CZ-CB 4.18Å; F182-C216 VanDerWaalsContact CZ-SG 3.54Å; L187-C216 HydrophobicContact CD1-CB 4.14Å; L187-C216 WeakPolarHBondContact CD1-SG 3.48Å; L187-C216 HydrophobicContact CD2-CB 4.28Å; Q212-C216 PolarHBondContact O-N 3.25Å; Q212-C216 PolarHBondContact O-SG 3.5Å; V213-C216 PolarHBondContact O-N 2.96Å; C216-H219 PolarHBondContact O-N 3.32Å; C216-L220 VanDerWaalsContact O-CB 3.25Å; C216-L220 WeakPolarHBondContact O-CB 3.39Å; C216-L220 PolarHBondContact O-N 3.47Å |
| 217 | C | 89.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 80.1 Ų | 80.1 | 43% | 0.432 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -50 | 171.8 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | V213 H219 L220 E221 | V213-C217 WeakPolarHBondContact O-CB 3.32Å; V213-C217 PolarHBondContact O-N 3.43Å; V213-C217 PolarHBondContact O-SG 3.04Å; V213-C217 VanDerWaalsContact O-SG 3.32Å; C217-H219 VanDerWaalsContact C-N 3.33Å; C217-H219 PolarHBondContact O-N 2.99Å; C217-L220 PolarHBondContact O-N 2.81Å; C217-E221 WeakPolarHBondContact O-CG 3.46Å; C217-E221 PolarHBondContact O-N 2.88Å |
| 218 | K | 91 | Very high | 89.3 | Confident | 118 Ų | 118 | 77.7 Ų | 77.7 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 178.1 | -74.4 | 165.4 | 178.8 | 163.2 | 0 | 112.9 | D214 K215 F222 | D214-K218 WeakPolarHBondContact O-CB 3.33Å; D214-K218 WeakPolarHBondContact O-CD 3.23Å; D214-K218 WeakPolarHBondContact O-CG 3.42Å; D214-K218 PolarHBondContact O-N 2.97Å; D214-K218 WeakPolarHBondContact OD1-CE 3.43Å; D214-K218 IonicContact OD1-NZ 3.2Å; D214-K218 PolarHBondContact OD1-NZ 3.45Å; D214-K218 IonicContact OD2-NZ 2.63Å; D214-K218 PolarHBondContact OD2-NZ 3.15Å; K215-K218 PolarHBondContact O-N 3.24Å; K218-F222 PolarHBondContact O-N 2.88Å |
| 219 | H | 87.9 | Confident | 89.6 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 176.1 | -166 | 94.5 | 0 | 0 | 0 | 112.1 | H179 F182 K215 C216 C217 F222 I223 | H179-H219 AromaticContact ND1-CE1 3.42Å; H179-H219 PolarHBondContact ND1-CE1 3.17Å; H179-H219 PolarHBondContact O-NE2 3.02Å; F182-H219 VanDerWaalsContact CB-CD2 3.43Å; F182-H219 WeakPolarHBondContact CB-CD2 3.4Å; F182-H219 VanDerWaalsContact CB-NE2 3.26Å; F182-H219 WeakPolarHBondContact CB-NE2 3.37Å; F182-H219 AromaticContact CD1-CD2 3.9Å; F182-H219 HydrophobicContact CD2-CB 4.1Å; F182-H219 AromaticContact CD2-CD2 3.54Å; F182-H219 AromaticContact CD2-CE1 3.71Å; F182-H219 AromaticContact CD2-CG 3.48Å; F182-H219 VanDerWaalsContact CD2-CG 3.48Å; F182-H219 AromaticContact CD2-ND1 3.62Å; F182-H219 AromaticContact CD2-NE2 3.7Å; F182-H219 HydrophobicContact CE1-CB 4.37Å; F182-H219 HydrophobicContact CE2-CB 3.93Å; F182-H219 AromaticContact CE2-CG 3.8Å; F182-H219 HydrophobicContact CG-CB 4.4Å; F182-H219 AromaticContact CG-CD2 3.34Å; F182-H219 WeakPolarHBondContact CG-CD2 3.44Å; F182-H219 AromaticContact CG-CG 3.75Å; F182-H219 AromaticContact CG-NE2 3.61Å; F182-H219 HydrophobicContact CZ-CB 4.07Å; K215-H219 WeakPolarHBondContact O-CB 3.43Å; K215-H219 PolarHBondContact O-N 3.35Å; C216-H219 PolarHBondContact O-N 3.32Å; C217-H219 VanDerWaalsContact C-N 3.33Å; C217-H219 PolarHBondContact O-N 2.99Å; H219-F222 PolarHBondContact O-N 3.35Å; H219-I223 VanDerWaalsContact CD2-CD1 3.4Å; H219-I223 WeakPolarHBondContact CD2-CD1 3.48Å; H219-I223 WeakPolarHBondContact NE2-CD1 3.48Å; H219-I223 WeakPolarHBondContact O-CG1 3.2Å; H219-I223 PolarHBondContact O-N 3.25Å |
| 220 | L | 88.3 | Confident | 89.8 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 55% | 0.55 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 174.9 | -175.1 | 62.6 | 0 | 0 | 0 | 112.1 | C216 C217 F222 I223 Y224 | C216-L220 VanDerWaalsContact O-CB 3.25Å; C216-L220 WeakPolarHBondContact O-CB 3.39Å; C216-L220 PolarHBondContact O-N 3.47Å; C217-L220 PolarHBondContact O-N 2.81Å; L220-F222 VanDerWaalsContact C-N 3.33Å; L220-F222 PolarHBondContact O-N 3.43Å; L220-I223 PolarHBondContact O-N 2.61Å; L220-Y224 VanDerWaalsContact O-CB 3.23Å; L220-Y224 WeakPolarHBondContact O-CB 3.34Å; L220-Y224 PolarHBondContact O-N 3.31Å |
| 221 | E | 90.8 | Very high | 90 | Very high | 99 Ų | 99 | 80.1 Ų | 80.1 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 171.8 | -75.3 | -179 | 167.6 | 0 | 0 | 111.5 | C217 K225 | C217-E221 WeakPolarHBondContact O-CG 3.46Å; C217-E221 PolarHBondContact O-N 2.88Å; E221-K225 WeakPolarHBondContact O-CB 3.26Å; E221-K225 PolarHBondContact O-N 2.69Å |
| 222 | F | 90.2 | Very high | 90.1 | Very high | 87 Ų | 87 | 84.8 Ų | 84.8 | 38% | 0.382 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 174.7 | 177.9 | -85.6 | 0 | 0 | 0 | 112.4 | I175 H179 K218 H219 L220 Y224 K225 K226 | I175-F222 HydrophobicContact CG2-CE1 4.27Å; I175-F222 HydrophobicContact CG2-CZ 4.39Å; H179-F222 HydrophobicContact CB-CE1 4.33Å; H179-F222 AromaticContact CD2-CE1 3.85Å; H179-F222 AromaticContact CE1-CD1 3.96Å; H179-F222 AromaticContact CE1-CE1 3.34Å; H179-F222 WeakPolarHBondContact CE1-CE1 3.46Å; H179-F222 AromaticContact CE1-CZ 3.79Å; H179-F222 AromaticContact CG-CE1 3.58Å; H179-F222 AromaticContact ND1-CD1 3.54Å; H179-F222 AromaticContact ND1-CE1 3.25Å; H179-F222 VanDerWaalsContact ND1-CE1 3.25Å; H179-F222 WeakPolarHBondContact ND1-CE1 3.39Å; H179-F222 AromaticContact NE2-CE1 3.71Å; K218-F222 PolarHBondContact O-N 2.88Å; H219-F222 PolarHBondContact O-N 3.35Å; L220-F222 VanDerWaalsContact C-N 3.33Å; L220-F222 PolarHBondContact O-N 3.43Å; F222-Y224 PolarHBondContact O-N 2.88Å; F222-K225 PolarHBondContact O-N 3.23Å; F222-K226 HydrophobicContact CE1-CG 4.12Å; F222-K226 HydrophobicContact CZ-CG 4.2Å; F222-K226 PolarHBondContact O-N 3.09Å; F222-K226 VanDerWaalsContact O-N 3.1Å |
| 223 | I | 87.5 | Confident | 90.4 | Very high | 25 Ų | 25 | 83.9 Ų | 83.9 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 175.9 | -73.8 | 175.8 | 0 | 0 | 0 | 110.3 | H179 H219 L220 K225 K226 Y227 | H179-I223 HydrophobicContact CB-CG1 4.07Å; H179-I223 WeakPolarHBondContact O-CD1 2.99Å; H219-I223 VanDerWaalsContact CD2-CD1 3.4Å; H219-I223 WeakPolarHBondContact CD2-CD1 3.48Å; H219-I223 WeakPolarHBondContact NE2-CD1 3.48Å; H219-I223 WeakPolarHBondContact O-CG1 3.2Å; H219-I223 PolarHBondContact O-N 3.25Å; L220-I223 PolarHBondContact O-N 2.61Å; I223-K225 PolarHBondContact O-N 2.97Å; I223-K226 PolarHBondContact O-N 3.49Å; I223-K226 VanDerWaalsContact O-N 3.11Å; I223-Y227 HydrophobicContact CG2-CD2 3.56Å; I223-Y227 HydrophobicContact CG2-CE2 3.54Å; I223-Y227 WeakPolarHBondContact O-CD2 3.29Å; I223-Y227 PolarHBondContact O-N 2.82Å |
| 224 | Y | 89.7 | Confident | 90.6 | Very high | 154 Ų | 154 | 85.1 Ų | 85.1 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.1 | -48.8 | -177.8 | 178.8 | -96.3 | 0 | 0 | 0 | 111.2 | L220 F222 K226 Y227 E228 | L220-Y224 VanDerWaalsContact O-CB 3.23Å; L220-Y224 WeakPolarHBondContact O-CB 3.34Å; L220-Y224 PolarHBondContact O-N 3.31Å; F222-Y224 PolarHBondContact O-N 2.88Å; Y224-K226 VanDerWaalsContact C-N 3.27Å; Y224-K226 PolarHBondContact O-N 3.42Å; Y224-Y227 PolarHBondContact O-N 2.69Å; Y224-Y227 VanDerWaalsContact O-N 3.13Å; Y224-E228 PolarHBondContact O-N 3.39Å |
| 225 | K | 92.9 | Very high | 90.6 | Very high | 138 Ų | 138 | 86 Ų | 86 | 60% | 0.6 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.2 | -35 | 176.7 | -174.3 | 173.4 | -178.9 | 177 | 0 | 112.7 | E221 F222 I223 E228 E229 | E221-K225 WeakPolarHBondContact O-CB 3.26Å; E221-K225 PolarHBondContact O-N 2.69Å; F222-K225 PolarHBondContact O-N 3.23Å; I223-K225 PolarHBondContact O-N 2.97Å; K225-E228 PolarHBondContact O-N 3.15Å; K225-E229 WeakPolarHBondContact O-CB 3.46Å; K225-E229 PolarHBondContact O-N 3.11Å |
| 226 | K | 91.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 81.2 Ų | 81.2 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.8 | -31.6 | 175.9 | -77.3 | -72 | 169.5 | -164 | 0 | 113.4 | L172 I175 F222 I223 Y224 E229 R230 | L172-K226 HydrophobicContact CD2-CD 3.73Å; I175-K226 HydrophobicContact CG2-CD 3.99Å; I175-K226 HydrophobicContact CG2-CG 4.01Å; F222-K226 HydrophobicContact CE1-CG 4.12Å; F222-K226 HydrophobicContact CZ-CG 4.2Å; F222-K226 PolarHBondContact O-N 3.09Å; F222-K226 VanDerWaalsContact O-N 3.1Å; I223-K226 PolarHBondContact O-N 3.49Å; I223-K226 VanDerWaalsContact O-N 3.11Å; Y224-K226 VanDerWaalsContact C-N 3.27Å; Y224-K226 PolarHBondContact O-N 3.42Å; K226-E229 WeakPolarHBondContact CE-OE2 3.48Å; K226-E229 IonicContact NZ-OE1 3.14Å; K226-E229 PolarHBondContact NZ-OE1 3.07Å; K226-E229 IonicContact NZ-OE2 2.72Å; K226-E229 PolarHBondContact NZ-OE2 3.38Å; K226-R230 VanDerWaalsContact O-CB 3.27Å; K226-R230 WeakPolarHBondContact O-CB 3.41Å; K226-R230 PolarHBondContact O-N 2.89Å |
| 227 | Y | 91 | Very high | 91.1 | Very high | 109 Ų | 109 | 81.7 Ų | 81.7 | 43% | 0.427 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.2 | -33 | 168.4 | -80.6 | -65 | 0 | 0 | 0 | 113.3 | C176 I223 Y224 R230 L231 | C176-Y227 HydrophobicContact CB-CE1 3.98Å; C176-Y227 HydrophobicContact CB-CE2 4.38Å; I223-Y227 HydrophobicContact CG2-CD2 3.56Å; I223-Y227 HydrophobicContact CG2-CE2 3.54Å; I223-Y227 WeakPolarHBondContact O-CD2 3.29Å; I223-Y227 PolarHBondContact O-N 2.82Å; Y224-Y227 PolarHBondContact O-N 2.69Å; Y224-Y227 VanDerWaalsContact O-N 3.13Å; Y227-R230 PolarHBondContact O-N 2.94Å; Y227-L231 WeakPolarHBondContact O-CB 3.49Å; Y227-L231 PolarHBondContact O-N 2.67Å |
| 228 | E | 92.8 | Very high | 91.2 | Very high | 95 Ų | 95 | 83.5 Ų | 83.5 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -50.9 | 172.3 | -171.1 | 172.7 | -146.8 | 0 | 0 | 110.8 | Y224 K225 R230 L231 E232 | Y224-E228 PolarHBondContact O-N 3.39Å; K225-E228 PolarHBondContact O-N 3.15Å; E228-R230 VanDerWaalsContact C-N 3.29Å; E228-R230 PolarHBondContact O-N 2.97Å; E228-L231 WeakPolarHBondContact O-CB 3.46Å; E228-L231 PolarHBondContact O-N 3.43Å; E228-E232 PolarHBondContact O-N 3.47Å |
| 229 | E | 92.9 | Very high | 91.1 | Very high | 59 Ų | 59 | 81.6 Ų | 81.6 | 28% | 0.276 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 174.7 | -172.4 | -179.7 | 155.7 | 0 | 0 | 112.5 | L172 K225 K226 H233 | L172-E229 HydrophobicContact CD1-CG 4.08Å; L172-E229 HydrophobicContact CD2-CG 4.13Å; K225-E229 WeakPolarHBondContact O-CB 3.46Å; K225-E229 PolarHBondContact O-N 3.11Å; K226-E229 WeakPolarHBondContact CE-OE2 3.48Å; K226-E229 IonicContact NZ-OE1 3.14Å; K226-E229 PolarHBondContact NZ-OE1 3.07Å; K226-E229 IonicContact NZ-OE2 2.72Å; K226-E229 PolarHBondContact NZ-OE2 3.38Å; E229-H233 PolarHBondContact O-N 3Å; E229-H233 VanDerWaalsContact O-N 3.17Å; E229-H233 PolarHBondContact O-ND1 3.07Å |
| 230 | R | 91.2 | Very high | 91.3 | Very high | 73 Ų | 73 | 81.4 Ų | 81.4 | 28% | 0.275 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 172.9 | -175.9 | -166.1 | -169.4 | -120.4 | 4.2 | 112 | L172 D173 K226 Y227 E228 H233 M234 | L172-R230 HydrophobicContact CB-CB 4.33Å; L172-R230 HydrophobicContact CB-CG 4.49Å; L172-R230 HydrophobicContact CD1-CB 4.44Å; D173-R230 IonicContact OD1-CZ 2.78Å; D173-R230 IonicContact OD1-NE 2.7Å; D173-R230 PolarHBondContact OD1-NE 3.22Å; D173-R230 IonicContact OD1-NH2 2.66Å; D173-R230 PolarHBondContact OD1-NH2 3.49Å; D173-R230 IonicContact OD2-NH2 3.21Å; K226-R230 VanDerWaalsContact O-CB 3.27Å; K226-R230 WeakPolarHBondContact O-CB 3.41Å; K226-R230 PolarHBondContact O-N 2.89Å; Y227-R230 PolarHBondContact O-N 2.94Å; E228-R230 VanDerWaalsContact C-N 3.29Å; E228-R230 PolarHBondContact O-N 2.97Å; R230-H233 PolarHBondContact O-N 3.11Å; R230-M234 HydrophobicContact CG-SD 4.39Å; R230-M234 WeakPolarHBondContact O-CG 3.35Å; R230-M234 PolarHBondContact O-N 3.04Å |
| 231 | L | 91.8 | Very high | 91.5 | Very high | 97 Ų | 97 | 80.4 Ų | 80.4 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 179.5 | -176.2 | 63.1 | 0 | 0 | 0 | 111.3 | Y227 E228 H233 M234 N235 | Y227-L231 WeakPolarHBondContact O-CB 3.49Å; Y227-L231 PolarHBondContact O-N 2.67Å; E228-L231 WeakPolarHBondContact O-CB 3.46Å; E228-L231 PolarHBondContact O-N 3.43Å; L231-H233 PolarHBondContact O-N 3.38Å; L231-M234 PolarHBondContact O-N 3.16Å; L231-N235 VanDerWaalsContact O-CG 3.24Å; L231-N235 PolarHBondContact O-N 3.37Å; L231-N235 PolarHBondContact O-ND2 3.13Å |
| 232 | E | 92.5 | Very high | 91.5 | Very high | 129 Ų | 129 | 80.2 Ų | 80.2 | 60% | 0.603 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.1 | -46.6 | 172 | -69.3 | -174 | 154.3 | 0 | 0 | 111.8 | E228 M234 N235 A236 | E228-E232 PolarHBondContact O-N 3.47Å; E232-M234 PolarHBondContact O-N 2.95Å; E232-N235 PolarHBondContact O-N 3.31Å; E232-A236 PolarHBondContact O-N 3.21Å |
| 233 | H | 91.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 76.5 Ų | 76.5 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | 176.8 | -75.9 | 86.2 | 0 | 0 | 0 | 113.1 | I169 L172 E229 R230 L231 A236 L237 | I169-H233 HydrophobicContact CD1-CB 4.32Å; I169-H233 HydrophobicContact CG1-CB 3.74Å; L172-H233 HydrophobicContact CD1-CB 4.43Å; E229-H233 PolarHBondContact O-N 3Å; E229-H233 VanDerWaalsContact O-N 3.17Å; E229-H233 PolarHBondContact O-ND1 3.07Å; R230-H233 PolarHBondContact O-N 3.11Å; L231-H233 PolarHBondContact O-N 3.38Å; H233-A236 PolarHBondContact O-N 3Å; H233-L237 WeakPolarHBondContact O-CB 3.06Å; H233-L237 PolarHBondContact O-N 2.94Å |
| 234 | M | 92.4 | Very high | 91.7 | Very high | 82 Ų | 82 | 75.6 Ų | 75.6 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 173.7 | -75.2 | -178.3 | 66 | 0 | 0 | 112.3 | I169 R230 L231 E232 L237 Q238 | I169-M234 HydrophobicContact CD1-CG 4.24Å; R230-M234 HydrophobicContact CG-SD 4.39Å; R230-M234 WeakPolarHBondContact O-CG 3.35Å; R230-M234 PolarHBondContact O-N 3.04Å; L231-M234 PolarHBondContact O-N 3.16Å; E232-M234 PolarHBondContact O-N 2.95Å; M234-L237 WeakPolarHBondContact O-CB 3.21Å; M234-L237 PolarHBondContact O-N 2.93Å; M234-Q238 PolarHBondContact O-N 3Å |
| 235 | N | 92.3 | Very high | 91.7 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 174.2 | -67.1 | -26.7 | 0 | 0 | 0 | 111.4 | L231 E232 Q238 S239 | L231-N235 VanDerWaalsContact O-CG 3.24Å; L231-N235 PolarHBondContact O-N 3.37Å; L231-N235 PolarHBondContact O-ND2 3.13Å; E232-N235 PolarHBondContact O-N 3.31Å; N235-Q238 PolarHBondContact O-N 3.26Å; N235-S239 PolarHBondContact O-N 3.32Å |
| 236 | A | 91.7 | Very high | 91.6 | Very high | 43 Ų | 43 | 71 Ų | 71 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | E232 H233 Q238 S239 I240 | E232-A236 PolarHBondContact O-N 3.21Å; H233-A236 PolarHBondContact O-N 3Å; A236-Q238 PolarHBondContact O-N 3.49Å; A236-S239 PolarHBondContact O-N 3.43Å; A236-I240 VanDerWaalsContact O-CG1 3.31Å; A236-I240 WeakPolarHBondContact O-CG1 3.3Å; A236-I240 PolarHBondContact O-N 3.28Å |
| 237 | L | 93.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 72.1 Ų | 72.1 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 174.7 | 178.3 | 64.7 | 0 | 0 | 0 | 111.5 | L162 T165 L166 I169 H233 M234 S239 I240 L241 | L162-L237 HydrophobicContact CD1-CD1 3.42Å; L162-L237 VanDerWaalsContact CD1-CD1 3.42Å; T165-L237 HydrophobicContact CG2-CB 3.87Å; T165-L237 HydrophobicContact CG2-CD1 4.41Å; L166-L237 HydrophobicContact CD2-CD1 3.82Å; L166-L237 HydrophobicContact CD2-CD2 3.8Å; L166-L237 HydrophobicContact CD2-CG 4.5Å; L166-L237 HydrophobicContact CG-CD1 3.95Å; I169-L237 HydrophobicContact CD1-CB 3.79Å; I169-L237 HydrophobicContact CD1-CD2 3.6Å; I169-L237 HydrophobicContact CD1-CG 4.24Å; H233-L237 WeakPolarHBondContact O-CB 3.06Å; H233-L237 PolarHBondContact O-N 2.94Å; M234-L237 WeakPolarHBondContact O-CB 3.21Å; M234-L237 PolarHBondContact O-N 2.93Å; L237-S239 PolarHBondContact O-N 3.08Å; L237-I240 PolarHBondContact O-N 3.01Å; L237-L241 HydrophobicContact CD1-CD1 4.09Å; L237-L241 HydrophobicContact CD1-CG 4.03Å; L237-L241 HydrophobicContact CD2-CD1 4.32Å; L237-L241 HydrophobicContact CG-CD1 3.81Å; L237-L241 HydrophobicContact CG-CG 4.2Å; L237-L241 WeakPolarHBondContact O-CB 3.31Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.4Å |
| 238 | Q | 91.1 | Very high | 91.8 | Very high | 102 Ų | 102 | 72.7 Ų | 72.7 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 176.9 | -176.1 | -174.9 | -35.3 | 0 | 0 | 111.1 | M234 N235 A236 I240 L241 E242 | M234-Q238 PolarHBondContact O-N 3Å; N235-Q238 PolarHBondContact O-N 3.26Å; A236-Q238 PolarHBondContact O-N 3.49Å; Q238-I240 VanDerWaalsContact C-N 3.31Å; Q238-I240 PolarHBondContact O-N 2.9Å; Q238-L241 PolarHBondContact O-N 2.86Å; Q238-L241 VanDerWaalsContact O-N 3.15Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.2Å; Q238-E242 PolarHBondContact NE2-OE1 2.97Å; Q238-E242 WeakPolarHBondContact O-CG 3.42Å; Q238-E242 PolarHBondContact O-N 2.91Å |
| 239 | S | 90.4 | Very high | 91.7 | Very high | 78 Ų | 78 | 71.6 Ų | 71.6 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | N235 A236 L237 G243 | N235-S239 PolarHBondContact O-N 3.32Å; A236-S239 PolarHBondContact O-N 3.43Å; L237-S239 PolarHBondContact O-N 3.08Å; S239-G243 PolarHBondContact O-N 3.43Å; S239-G243 VanDerWaalsContact O-N 3.16Å |
| 240 | I | 91.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 70.8 Ų | 70.8 | 18% | 0.179 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.8 | -36.7 | 175.1 | -63 | 165.1 | 0 | 0 | 0 | 111.2 | F157 K161 L162 T165 A236 L237 Q238 G243 A244 | F157-I240 HydrophobicContact CE2-CG2 4.07Å; K161-I240 HydrophobicContact CB-CD1 4.45Å; L162-I240 HydrophobicContact CB-CG2 3.73Å; L162-I240 HydrophobicContact CD1-CG2 4.02Å; L162-I240 HydrophobicContact CG-CG2 4.4Å; T165-I240 HydrophobicContact CG2-CD1 4.46Å; T165-I240 WeakPolarHBondContact OG1-CD1 3.37Å; A236-I240 VanDerWaalsContact O-CG1 3.31Å; A236-I240 WeakPolarHBondContact O-CG1 3.3Å; A236-I240 PolarHBondContact O-N 3.28Å; L237-I240 PolarHBondContact O-N 3.01Å; Q238-I240 VanDerWaalsContact C-N 3.31Å; Q238-I240 PolarHBondContact O-N 2.9Å; I240-G243 PolarHBondContact O-N 3.45Å; I240-A244 WeakPolarHBondContact O-CB 3.43Å; I240-A244 PolarHBondContact O-N 2.94Å |
| 241 | L | 93.2 | Very high | 91.6 | Very high | 85 Ų | 85 | 70.8 Ų | 70.8 | 45% | 0.445 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 176.2 | -75.1 | 173.1 | 0 | 0 | 0 | 112.5 | L162 L237 Q238 G243 A244 E245 | L162-L241 HydrophobicContact CD1-CD2 3.76Å; L162-L241 HydrophobicContact CD1-CG 4.16Å; L162-L241 HydrophobicContact CD2-CD2 4.3Å; L237-L241 HydrophobicContact CD1-CD1 4.09Å; L237-L241 HydrophobicContact CD1-CG 4.03Å; L237-L241 HydrophobicContact CD2-CD1 4.32Å; L237-L241 HydrophobicContact CG-CD1 3.81Å; L237-L241 HydrophobicContact CG-CG 4.2Å; L237-L241 WeakPolarHBondContact O-CB 3.31Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.4Å; Q238-L241 PolarHBondContact O-N 2.86Å; Q238-L241 VanDerWaalsContact O-N 3.15Å; L241-G243 VanDerWaalsContact C-N 3.3Å; L241-G243 PolarHBondContact O-N 2.94Å; L241-A244 WeakPolarHBondContact O-CB 3.44Å; L241-A244 PolarHBondContact O-N 3.43Å; L241-E245 PolarHBondContact O-N 2.98Å |
| 242 | E | 90 | Very high | 91.6 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 171.8 | -71.7 | 170.2 | -172.9 | 0 | 0 | 111 | Q238 I246 | Q238-E242 WeakPolarHBondContact CG-OE1 3.2Å; Q238-E242 PolarHBondContact NE2-OE1 2.97Å; Q238-E242 WeakPolarHBondContact O-CG 3.42Å; Q238-E242 PolarHBondContact O-N 2.91Å; E242-I246 WeakPolarHBondContact O-CG1 3.04Å; E242-I246 PolarHBondContact O-N 2.88Å |
| 243 | G | 89.3 | Confident | 91.6 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66 | -39.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S239 I240 L241 I246 Y247 | S239-G243 PolarHBondContact O-N 3.43Å; S239-G243 VanDerWaalsContact O-N 3.16Å; I240-G243 PolarHBondContact O-N 3.45Å; L241-G243 VanDerWaalsContact C-N 3.3Å; L241-G243 PolarHBondContact O-N 2.94Å; G243-I246 PolarHBondContact O-N 3.23Å; G243-Y247 WeakPolarHBondContact O-CB 3.31Å; G243-Y247 PolarHBondContact O-N 2.94Å |
| 244 | A | 92 | Very high | 91.6 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 5% | 0.05 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F157 L162 I240 L241 I246 Y247 Y248 | F157-A244 HydrophobicContact CD2-CB 4.43Å; F157-A244 HydrophobicContact CE1-CB 4.42Å; F157-A244 VanDerWaalsContact CE2-CA 3.49Å; F157-A244 HydrophobicContact CE2-CB 3.5Å; F157-A244 VanDerWaalsContact CE2-CB 3.5Å; F157-A244 HydrophobicContact CZ-CB 3.49Å; F157-A244 VanDerWaalsContact CZ-CB 3.49Å; L162-A244 HydrophobicContact CD2-CB 4.4Å; I240-A244 WeakPolarHBondContact O-CB 3.43Å; I240-A244 PolarHBondContact O-N 2.94Å; L241-A244 WeakPolarHBondContact O-CB 3.44Å; L241-A244 PolarHBondContact O-N 3.43Å; A244-I246 VanDerWaalsContact C-N 3.32Å; A244-I246 PolarHBondContact O-N 3.41Å; A244-Y247 PolarHBondContact O-N 3.43Å; A244-Y248 HydrophobicContact CB-CD2 4.2Å; A244-Y248 HydrophobicContact CB-CE2 4.22Å; A244-Y248 WeakPolarHBondContact O-CD2 3.38Å; A244-Y248 PolarHBondContact O-N 3.19Å |
| 245 | E | 90.9 | Very high | 91.7 | Very high | 129 Ų | 129 | 70.7 Ų | 70.7 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.9 | -44.2 | 176.6 | -178.5 | 170.8 | -163.8 | 0 | 0 | 110.7 | L241 N249 | L241-E245 PolarHBondContact O-N 2.98Å; E245-N249 WeakPolarHBondContact CG-ND2 3.35Å; E245-N249 WeakPolarHBondContact O-CB 3.23Å; E245-N249 PolarHBondContact O-N 3.01Å; E245-N249 PolarHBondContact O-ND2 3.37Å |
| 246 | I | 90.4 | Very high | 91.8 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | 175.2 | -66.3 | 165.9 | 0 | 0 | 0 | 110.8 | I153 V154 E242 G243 A244 N249 V250 | I153-I246 HydrophobicContact CD1-CD1 4Å; I153-I246 HydrophobicContact CG2-CB 4.23Å; I153-I246 HydrophobicContact CG2-CD1 4.16Å; I153-I246 HydrophobicContact CG2-CG2 4.25Å; V154-I246 HydrophobicContact CG2-CG2 3.9Å; E242-I246 WeakPolarHBondContact O-CG1 3.04Å; E242-I246 PolarHBondContact O-N 2.88Å; G243-I246 PolarHBondContact O-N 3.23Å; A244-I246 VanDerWaalsContact C-N 3.32Å; A244-I246 PolarHBondContact O-N 3.41Å; I246-N249 PolarHBondContact O-N 2.92Å; I246-V250 WeakPolarHBondContact O-CG2 3.34Å; I246-V250 PolarHBondContact O-N 3.23Å; I246-V250 VanDerWaalsContact O-N 3.1Å |
| 247 | Y | 92.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.9 | -51.8 | -178.8 | -179.9 | -91.1 | 0 | 0 | 0 | 112.5 | V154 F157 G243 A244 N249 V250 Q251 | V154-Y247 HydrophobicContact CG1-CD2 4.17Å; F157-Y247 HydrophobicContact CB-CD2 3.99Å; F157-Y247 HydrophobicContact CB-CG 4.24Å; F157-Y247 AromaticContact CD1-CD1 3.69Å; F157-Y247 HydrophobicContact CD1-CD1 3.69Å; F157-Y247 AromaticContact CD1-CD2 3.84Å; F157-Y247 HydrophobicContact CD1-CD2 3.84Å; F157-Y247 HydrophobicContact CD1-CE1 4.25Å; F157-Y247 HydrophobicContact CD1-CE2 4.37Å; F157-Y247 AromaticContact CD1-CG 3.47Å; F157-Y247 HydrophobicContact CD1-CG 3.47Å; F157-Y247 VanDerWaalsContact CD1-CG 3.47Å; F157-Y247 AromaticContact CE1-CD1 3.99Å; F157-Y247 HydrophobicContact CE1-CD1 3.99Å; F157-Y247 HydrophobicContact CE1-CG 4.18Å; F157-Y247 HydrophobicContact CG-CD2 4.27Å; F157-Y247 HydrophobicContact CG-CG 4.06Å; G243-Y247 WeakPolarHBondContact O-CB 3.31Å; G243-Y247 PolarHBondContact O-N 2.94Å; A244-Y247 PolarHBondContact O-N 3.43Å; Y247-N249 PolarHBondContact O-N 3.48Å; Y247-V250 PolarHBondContact O-N 2.7Å; Y247-V250 VanDerWaalsContact O-N 3.15Å; Y247-Q251 HydrophobicContact CD1-CG 4.19Å; Y247-Q251 HydrophobicContact CE1-CG 3.77Å; Y247-Q251 WeakPolarHBondContact O-CG 3.48Å; Y247-Q251 PolarHBondContact O-N 3.22Å |
| 248 | Y | 93.6 | Very high | 92 | Very high | 122 Ų | 122 | 71.5 Ų | 71.5 | 48% | 0.478 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.2 | -28.2 | -179 | -68.9 | -63.2 | 0 | 0 | 0 | 112.8 | F157 A244 V250 L252 | F157-Y248 HydrophobicContact CE1-CE2 4.18Å; F157-Y248 HydrophobicContact CZ-CE2 4.36Å; A244-Y248 HydrophobicContact CB-CD2 4.2Å; A244-Y248 HydrophobicContact CB-CE2 4.22Å; A244-Y248 WeakPolarHBondContact O-CD2 3.38Å; A244-Y248 PolarHBondContact O-N 3.19Å; Y248-V250 VanDerWaalsContact C-N 3.31Å; Y248-V250 PolarHBondContact O-N 2.95Å; Y248-L252 VanDerWaalsContact O-CB 3.26Å; Y248-L252 WeakPolarHBondContact O-CB 3.27Å; Y248-L252 PolarHBondContact O-N 3.41Å |
| 249 | N | 92 | Very high | 92.2 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.5 | -22.6 | 170.3 | -85.8 | -67.7 | 0 | 0 | 0 | 113.7 | E245 I246 Y247 K253 | E245-N249 WeakPolarHBondContact CG-ND2 3.35Å; E245-N249 WeakPolarHBondContact O-CB 3.23Å; E245-N249 PolarHBondContact O-N 3.01Å; E245-N249 PolarHBondContact O-ND2 3.37Å; I246-N249 PolarHBondContact O-N 2.92Å; Y247-N249 PolarHBondContact O-N 3.48Å; N249-K253 VanDerWaalsContact O-CD 3.23Å; N249-K253 WeakPolarHBondContact O-CD 3.42Å; N249-K253 VanDerWaalsContact O-CE 3.25Å; N249-K253 WeakPolarHBondContact O-CE 3.46Å; N249-K253 VanDerWaalsContact O-CG 3.28Å; N249-K253 WeakPolarHBondContact O-CG 3.33Å |
| 250 | V | 90 | Very high | 92.4 | Very high | 43 Ų | 43 | 72.5 Ų | 72.5 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -76.2 | -53.5 | 169.7 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | V154 I246 Y247 Y248 L252 K253 E254 | V154-V250 HydrophobicContact CG2-CG2 4.11Å; I246-V250 WeakPolarHBondContact O-CG2 3.34Å; I246-V250 PolarHBondContact O-N 3.23Å; I246-V250 VanDerWaalsContact O-N 3.1Å; Y247-V250 PolarHBondContact O-N 2.7Å; Y247-V250 VanDerWaalsContact O-N 3.15Å; Y248-V250 VanDerWaalsContact C-N 3.31Å; Y248-V250 PolarHBondContact O-N 2.95Å; V250-L252 VanDerWaalsContact C-N 3.28Å; V250-L252 PolarHBondContact O-N 3.15Å; V250-K253 WeakPolarHBondContact O-CB 3.5Å; V250-K253 PolarHBondContact O-N 3.08Å; V250-E254 HydrophobicContact CG1-CG 4.45Å; V250-E254 PolarHBondContact O-N 2.96Å |
| 251 | Q | 91.1 | Very high | 92.6 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 34% | 0.341 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53 | -42.3 | 177.3 | -70.8 | -73 | -30 | 0 | 0 | 112.7 | Y247 K253 E254 V255 | Y247-Q251 HydrophobicContact CD1-CG 4.19Å; Y247-Q251 HydrophobicContact CE1-CG 3.77Å; Y247-Q251 WeakPolarHBondContact O-CG 3.48Å; Y247-Q251 PolarHBondContact O-N 3.22Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 2.98Å; Q251-E254 PolarHBondContact O-N 3.13Å; Q251-V255 WeakPolarHBondContact O-CB 3.25Å; Q251-V255 WeakPolarHBondContact O-CG2 3.06Å; Q251-V255 PolarHBondContact O-N 3.42Å |
| 252 | L | 92.2 | Very high | 92.8 | Very high | 113 Ų | 113 | 73.2 Ų | 73.2 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.5 | -35.7 | 178.2 | -177.6 | 61.3 | 0 | 0 | 0 | 113 | Y248 V250 A256 | Y248-L252 VanDerWaalsContact O-CB 3.26Å; Y248-L252 WeakPolarHBondContact O-CB 3.27Å; Y248-L252 PolarHBondContact O-N 3.41Å; V250-L252 VanDerWaalsContact C-N 3.28Å; V250-L252 PolarHBondContact O-N 3.15Å; L252-A256 WeakPolarHBondContact O-CB 3.26Å; L252-A256 PolarHBondContact O-N 2.69Å |
| 253 | K | 92.8 | Very high | 93.1 | Very high | 91 Ų | 91 | 70.4 Ų | 70.4 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71 | -40.5 | 175.4 | -66.7 | 163.5 | -169 | 163.7 | 0 | 111.2 | N249 V250 Q251 A256 I257 | N249-K253 VanDerWaalsContact O-CD 3.23Å; N249-K253 WeakPolarHBondContact O-CD 3.42Å; N249-K253 VanDerWaalsContact O-CE 3.25Å; N249-K253 WeakPolarHBondContact O-CE 3.46Å; N249-K253 VanDerWaalsContact O-CG 3.28Å; N249-K253 WeakPolarHBondContact O-CG 3.33Å; V250-K253 WeakPolarHBondContact O-CB 3.5Å; V250-K253 PolarHBondContact O-N 3.08Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 2.98Å; K253-A256 PolarHBondContact O-N 3.15Å; K253-I257 VanDerWaalsContact O-CG1 3.3Å; K253-I257 WeakPolarHBondContact O-CG1 3.43Å; K253-I257 PolarHBondContact O-N 3.22Å |
| 254 | E | 92 | Very high | 93.4 | Very high | 62 Ų | 62 | 72.6 Ų | 72.6 | 29% | 0.29 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.5 | -68.7 | 176.1 | 153.7 | 0 | 0 | 110.9 | V250 Q251 A256 I257 V258 L903 | V250-E254 HydrophobicContact CG1-CG 4.45Å; V250-E254 PolarHBondContact O-N 2.96Å; Q251-E254 PolarHBondContact O-N 3.13Å; E254-A256 PolarHBondContact O-N 3.32Å; E254-I257 PolarHBondContact O-N 3.03Å; E254-V258 WeakPolarHBondContact O-CG2 3.4Å; E254-V258 PolarHBondContact O-N 3.06Å; E254-L903 HydrophobicContact CB-CD1 4.04Å; E254-L903 HydrophobicContact CB-CD2 3.84Å; E254-L903 HydrophobicContact CG-CD1 4.45Å; E254-L903 HydrophobicContact CG-CD2 3.75Å |
| 255 | V | 94.7 | Very high | 93.6 | Very high | 81 Ų | 81 | 78 Ų | 78 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.1 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | Q251 I257 V258 V259 | Q251-V255 WeakPolarHBondContact O-CB 3.25Å; Q251-V255 WeakPolarHBondContact O-CG2 3.06Å; Q251-V255 PolarHBondContact O-N 3.42Å; V255-I257 VanDerWaalsContact C-N 3.34Å; V255-I257 PolarHBondContact O-N 3.42Å; V255-V258 PolarHBondContact O-N 2.93Å; V255-V259 HydrophobicContact CG1-CG2 4.19Å; V255-V259 WeakPolarHBondContact O-CG2 3.47Å; V255-V259 PolarHBondContact O-N 3.45Å |
| 256 | A | 94.1 | Very high | 93.9 | Very high | 57 Ų | 57 | 73.3 Ų | 73.3 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L252 K253 E254 N260 | L252-A256 WeakPolarHBondContact O-CB 3.26Å; L252-A256 PolarHBondContact O-N 2.69Å; K253-A256 PolarHBondContact O-N 3.15Å; E254-A256 PolarHBondContact O-N 3.32Å; A256-N260 WeakPolarHBondContact O-CB 3.5Å; A256-N260 PolarHBondContact O-N 3.48Å |
| 257 | I | 93.7 | Very high | 94.2 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 173 | -68.8 | 162 | 0 | 0 | 0 | 110.4 | K253 E254 V255 N260 A261 V899 | K253-I257 VanDerWaalsContact O-CG1 3.3Å; K253-I257 WeakPolarHBondContact O-CG1 3.43Å; K253-I257 PolarHBondContact O-N 3.22Å; E254-I257 PolarHBondContact O-N 3.03Å; V255-I257 VanDerWaalsContact C-N 3.34Å; V255-I257 PolarHBondContact O-N 3.42Å; I257-N260 PolarHBondContact O-N 3.34Å; I257-A261 WeakPolarHBondContact O-CB 3.34Å; I257-A261 PolarHBondContact O-N 3.07Å; I257-V899 HydrophobicContact CG2-CG1 4.01Å |
| 258 | V | 94.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 80.4 Ų | 80.4 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | E254 V255 N260 A261 Y262 L903 | E254-V258 WeakPolarHBondContact O-CG2 3.4Å; E254-V258 PolarHBondContact O-N 3.06Å; V255-V258 PolarHBondContact O-N 2.93Å; V258-N260 VanDerWaalsContact C-N 3.34Å; V258-N260 PolarHBondContact O-N 3.4Å; V258-A261 PolarHBondContact O-N 3.23Å; V258-A261 VanDerWaalsContact O-N 3.13Å; V258-Y262 HydrophobicContact CG1-CD2 3.68Å; V258-Y262 HydrophobicContact CG1-CE2 3.78Å; V258-Y262 WeakPolarHBondContact O-CD2 3.35Å; V258-Y262 PolarHBondContact O-N 2.84Å; V258-L903 HydrophobicContact CG2-CB 4.3Å; V258-L903 HydrophobicContact CG2-CD1 3.73Å |
| 259 | V | 95.7 | Very high | 94.4 | Very high | 95 Ų | 95 | 78 Ų | 78 | 58% | 0.576 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | V255 Y262 G263 | V255-V259 HydrophobicContact CG1-CG2 4.19Å; V255-V259 WeakPolarHBondContact O-CG2 3.47Å; V255-V259 PolarHBondContact O-N 3.45Å; V259-Y262 PolarHBondContact O-N 3.02Å; V259-G263 PolarHBondContact O-N 2.84Å |
| 260 | N | 95.5 | Very high | 94.6 | Very high | 106 Ų | 106 | 78.8 Ų | 78.8 | 57% | 0.567 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.1 | -38.2 | 174.8 | -175.8 | 38.4 | 0 | 0 | 0 | 112.5 | A256 I257 V258 G263 T264 | A256-N260 WeakPolarHBondContact O-CB 3.5Å; A256-N260 PolarHBondContact O-N 3.48Å; I257-N260 PolarHBondContact O-N 3.34Å; V258-N260 VanDerWaalsContact C-N 3.34Å; V258-N260 PolarHBondContact O-N 3.4Å; N260-G263 PolarHBondContact O-N 3.1Å; N260-T264 WeakPolarHBondContact O-CB 3.42Å; N260-T264 WeakPolarHBondContact O-CG2 3.44Å; N260-T264 PolarHBondContact O-N 3.36Å; N260-T264 PolarHBondContact O-OG1 3.34Å |
| 261 | A | 95.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 83 Ų | 83 | 8% | 0.083 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I257 V258 T264 Y265 P896 I900 | I257-A261 WeakPolarHBondContact O-CB 3.34Å; I257-A261 PolarHBondContact O-N 3.07Å; V258-A261 PolarHBondContact O-N 3.23Å; V258-A261 VanDerWaalsContact O-N 3.13Å; A261-T264 PolarHBondContact O-OG1 3.04Å; A261-Y265 VanDerWaalsContact O-CB 3.29Å; A261-Y265 WeakPolarHBondContact O-CB 3.44Å; A261-Y265 PolarHBondContact O-N 2.86Å; A261-P896 HydrophobicContact CB-CB 4.23Å; A261-I900 HydrophobicContact CB-CD1 3.83Å; A261-I900 HydrophobicContact CB-CG1 4.31Å |
| 262 | Y | 96.7 | Very high | 95 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 49% | 0.49 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 172.4 | -84.4 | -80.5 | 0 | 0 | 0 | 112.5 | V258 V259 Y265 G266 I900 | V258-Y262 HydrophobicContact CG1-CD2 3.68Å; V258-Y262 HydrophobicContact CG1-CE2 3.78Å; V258-Y262 WeakPolarHBondContact O-CD2 3.35Å; V258-Y262 PolarHBondContact O-N 2.84Å; V259-Y262 PolarHBondContact O-N 3.02Å; Y262-Y265 PolarHBondContact O-N 3.44Å; Y262-G266 PolarHBondContact O-N 3.42Å; Y262-I900 HydrophobicContact CE2-CD1 4.36Å |
| 263 | G | 96.6 | Very high | 95.1 | Very high | 36 Ų | 36 | 82.8 Ų | 82.8 | 37% | 0.371 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V259 N260 G266 K267 | V259-G263 PolarHBondContact O-N 2.84Å; N260-G263 PolarHBondContact O-N 3.1Å; G263-G266 PolarHBondContact O-N 3.25Å; G263-K267 WeakPolarHBondContact O-CG 3.45Å; G263-K267 PolarHBondContact O-N 3.5Å |
| 264 | T | 95.7 | Very high | 95 | Very high | 56 Ų | 56 | 81.4 Ų | 81.4 | 34% | 0.344 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73.4 | -24.2 | 174.5 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | N260 A261 R268 | N260-T264 WeakPolarHBondContact O-CB 3.42Å; N260-T264 WeakPolarHBondContact O-CG2 3.44Å; N260-T264 PolarHBondContact O-N 3.36Å; N260-T264 PolarHBondContact O-OG1 3.34Å; A261-T264 PolarHBondContact O-OG1 3.04Å; T264-R268 WeakPolarHBondContact O-CG 3.23Å; T264-R268 PolarHBondContact O-N 3.32Å; T264-R268 PolarHBondContact O-NE 3.39Å |
| 265 | Y | 95.6 | Very high | 95.1 | Very high | 119 Ų | 119 | 83 Ų | 83 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 165.2 | 178.5 | -104.2 | 0 | 0 | 0 | 111 | A261 Y262 K267 R268 V269 F897 | A261-Y265 VanDerWaalsContact O-CB 3.29Å; A261-Y265 WeakPolarHBondContact O-CB 3.44Å; A261-Y265 PolarHBondContact O-N 2.86Å; Y262-Y265 PolarHBondContact O-N 3.44Å; Y265-K267 PolarHBondContact O-N 2.81Å; Y265-R268 WeakPolarHBondContact O-CA 3.43Å; Y265-R268 WeakPolarHBondContact O-CB 3.25Å; Y265-R268 PolarHBondContact O-N 3.47Å; Y265-V269 HydrophobicContact CD1-CG2 4.21Å; Y265-V269 HydrophobicContact CD2-CG2 4.49Å; Y265-V269 HydrophobicContact CE1-CG2 3.78Å; Y265-V269 HydrophobicContact CE2-CG2 4.09Å; Y265-V269 WeakPolarHBondContact O-CG2 3.36Å; Y265-V269 PolarHBondContact O-N 3.3Å; Y265-F897 HydrophobicContact CD2-CZ 4.23Å; Y265-F897 HydrophobicContact CE2-CZ 4.45Å |
| 266 | G | 97.2 | Very high | 95 | Very high | 31 Ų | 31 | 83.6 Ų | 83.6 | 32% | 0.32 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.6 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y262 G263 R268 V269 T270 | Y262-G266 PolarHBondContact O-N 3.42Å; G263-G266 PolarHBondContact O-N 3.25Å; G266-R268 PolarHBondContact O-N 3.45Å; G266-V269 PolarHBondContact O-N 3.36Å; G266-V269 VanDerWaalsContact O-N 3.14Å; G266-T270 PolarHBondContact O-N 3.46Å; G266-T270 PolarHBondContact O-OG1 3.48Å |
| 267 | K | 95.7 | Very high | 94.8 | Very high | 156 Ų | 156 | 84.4 Ų | 84.4 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.2 | -29.4 | 174.9 | -72.9 | 179.1 | 179.4 | -177.1 | 0 | 113.5 | G263 Y265 T270 K271 | G263-K267 WeakPolarHBondContact O-CG 3.45Å; G263-K267 PolarHBondContact O-N 3.5Å; Y265-K267 PolarHBondContact O-N 2.81Å; K267-T270 PolarHBondContact O-OG1 3.46Å; K267-K271 WeakPolarHBondContact O-CB 3.46Å; K267-K271 PolarHBondContact O-N 3.45Å |
| 268 | R | 94.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 84.6 Ų | 84.6 | 46% | 0.464 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -76.7 | -43.6 | 173.3 | -76.5 | 176.2 | -73.1 | 167.9 | -2.5 | 111.7 | T264 Y265 G266 K271 T272 | T264-R268 WeakPolarHBondContact O-CG 3.23Å; T264-R268 PolarHBondContact O-N 3.32Å; T264-R268 PolarHBondContact O-NE 3.39Å; Y265-R268 WeakPolarHBondContact O-CA 3.43Å; Y265-R268 WeakPolarHBondContact O-CB 3.25Å; Y265-R268 PolarHBondContact O-N 3.47Å; G266-R268 PolarHBondContact O-N 3.45Å; R268-K271 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-OG1 3.07Å |
| 269 | V | 96 | Very high | 94.2 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 42% | 0.424 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | Y265 G266 T272 L273 | Y265-V269 HydrophobicContact CD1-CG2 4.21Å; Y265-V269 HydrophobicContact CD2-CG2 4.49Å; Y265-V269 HydrophobicContact CE1-CG2 3.78Å; Y265-V269 HydrophobicContact CE2-CG2 4.09Å; Y265-V269 WeakPolarHBondContact O-CG2 3.36Å; Y265-V269 PolarHBondContact O-N 3.3Å; G266-V269 PolarHBondContact O-N 3.36Å; G266-V269 VanDerWaalsContact O-N 3.14Å; V269-T272 PolarHBondContact O-N 3.01Å; V269-L273 WeakPolarHBondContact O-CB 3.36Å; V269-L273 PolarHBondContact O-N 3Å |
| 270 | T | 95.6 | Very high | 93.8 | Very high | 89 Ų | 89 | 86.1 Ų | 86.1 | 55% | 0.546 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 176.9 | 55 | 0 | 0 | 0 | 0 | 112.6 | G266 K267 L273 S274 | G266-T270 PolarHBondContact O-N 3.46Å; G266-T270 PolarHBondContact O-OG1 3.48Å; K267-T270 PolarHBondContact O-OG1 3.46Å; T270-L273 PolarHBondContact O-N 3Å; T270-S274 PolarHBondContact O-N 2.89Å |
| 271 | K | 94.9 | Very high | 93 | Very high | 132 Ų | 132 | 87.1 Ų | 87.1 | 57% | 0.574 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.2 | -52.3 | 172.2 | 175.2 | 167 | 173.3 | 168 | 0 | 111.5 | K267 R268 L273 S274 E275 | K267-K271 WeakPolarHBondContact O-CB 3.46Å; K267-K271 PolarHBondContact O-N 3.45Å; R268-K271 PolarHBondContact O-N 3.41Å; K271-L273 VanDerWaalsContact C-N 3.27Å; K271-L273 PolarHBondContact O-N 3.15Å; K271-S274 WeakPolarHBondContact O-CB 3.43Å; K271-S274 PolarHBondContact O-N 3.05Å; K271-S274 VanDerWaalsContact O-N 3.07Å; K271-E275 WeakPolarHBondContact CE-OE1 3.41Å; K271-E275 HydrophobicContact CG-CG 4.39Å; K271-E275 IonicContact NZ-OE1 2.78Å; K271-E275 WeakPolarHBondContact O-CG 3.28Å; K271-E275 PolarHBondContact O-N 3.48Å |
| 272 | T | 94.9 | Very high | 91.7 | Very high | 86 Ų | 86 | 94.1 Ų | 94.1 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -30.3 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | R268 V269 E275 L276 | R268-T272 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-OG1 3.07Å; V269-T272 PolarHBondContact O-N 3.01Å; T272-E275 WeakPolarHBondContact CA-OE2 3.29Å; T272-L276 VanDerWaalsContact O-CB 3.28Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 PolarHBondContact O-N 3.27Å |
| 273 | L | 94.3 | Very high | 90 | Very high | 95 Ų | 95 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 171.6 | -176.1 | 61.8 | 0 | 0 | 0 | 112.3 | V269 T270 K271 N277 | V269-L273 WeakPolarHBondContact O-CB 3.36Å; V269-L273 PolarHBondContact O-N 3Å; T270-L273 PolarHBondContact O-N 3Å; K271-L273 VanDerWaalsContact C-N 3.27Å; K271-L273 PolarHBondContact O-N 3.15Å; L273-N277 VanDerWaalsContact O-CG 3.28Å; L273-N277 PolarHBondContact O-N 2.91Å; L273-N277 PolarHBondContact O-ND2 2.83Å |
| 274 | S | 92.2 | Very high | 88.1 | Confident | 62 Ų | 62 | 98.8 Ų | 98.8 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 172.1 | -162.4 | 0 | 0 | 0 | 0 | 111 | T270 K271 L276 N277 D278 | T270-S274 PolarHBondContact O-N 2.89Å; K271-S274 WeakPolarHBondContact O-CB 3.43Å; K271-S274 PolarHBondContact O-N 3.05Å; K271-S274 VanDerWaalsContact O-N 3.07Å; S274-L276 PolarHBondContact O-N 2.85Å; S274-N277 PolarHBondContact O-N 3.2Å; S274-D278 PolarHBondContact O-N 2.73Å; S274-D278 VanDerWaalsContact O-OD2 3.1Å; S274-D278 PolarHBondContact OG-OD2 3.3Å |
| 275 | E | 92.6 | Very high | 86 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.1 | -36.5 | 178.9 | -68.3 | 168.3 | 154.6 | 0 | 0 | 112.2 | K271 T272 L279 | K271-E275 WeakPolarHBondContact CE-OE1 3.41Å; K271-E275 HydrophobicContact CG-CG 4.39Å; K271-E275 IonicContact NZ-OE1 2.78Å; K271-E275 WeakPolarHBondContact O-CG 3.28Å; K271-E275 PolarHBondContact O-N 3.48Å; T272-E275 WeakPolarHBondContact CA-OE2 3.29Å; E275-L279 WeakPolarHBondContact O-CB 3.27Å; E275-L279 PolarHBondContact O-N 2.68Å; E275-L279 VanDerWaalsContact O-N 3.14Å |
| 276 | L | 92.5 | Very high | 83.4 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 174.6 | -178 | 60.8 | 0 | 0 | 0 | 112.6 | T272 S274 L279 I280 | T272-L276 VanDerWaalsContact O-CB 3.28Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 PolarHBondContact O-N 3.27Å; S274-L276 PolarHBondContact O-N 2.85Å; L276-L279 PolarHBondContact O-N 3.4Å; L276-I280 HydrophobicContact CD1-CD1 4.27Å; L276-I280 HydrophobicContact CG-CD1 4.06Å; L276-I280 WeakPolarHBondContact O-CD1 3.33Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.36Å |
| 277 | N | 90.3 | Very high | 80.8 | Confident | 74 Ų | 74 | 103 Ų | 103 | 40% | 0.396 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 176.7 | -73 | -23.8 | 0 | 0 | 0 | 111.8 | L273 S274 L279 I280 H281 | L273-N277 VanDerWaalsContact O-CG 3.28Å; L273-N277 PolarHBondContact O-N 2.91Å; L273-N277 PolarHBondContact O-ND2 2.83Å; S274-N277 PolarHBondContact O-N 3.2Å; N277-L279 VanDerWaalsContact C-N 3.32Å; N277-L279 PolarHBondContact O-N 2.66Å; N277-I280 PolarHBondContact O-N 2.92Å; N277-H281 PolarHBondContact O-CD2 2.98Å; N277-H281 PolarHBondContact O-N 3.17Å |
| 278 | D | 89.3 | Confident | 78.2 | Confident | 96 Ų | 96 | 103.6 Ų | 103.6 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 177.4 | -67.8 | -41.6 | 0 | 0 | 0 | 111.4 | S274 H281 R282 | S274-D278 PolarHBondContact O-N 2.73Å; S274-D278 VanDerWaalsContact O-OD2 3.1Å; S274-D278 PolarHBondContact OG-OD2 3.3Å; D278-H281 PolarHBondContact O-N 3.11Å; D278-R282 WeakPolarHBondContact O-CB 3.46Å; D278-R282 PolarHBondContact O-N 3.49Å |
| 279 | L | 86.7 | Confident | 75.5 | Confident | 76 Ų | 76 | 103.5 Ų | 103.5 | 40% | 0.398 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -45 | 174.7 | -176 | 59.5 | 0 | 0 | 0 | 112.1 | E275 L276 N277 H281 R282 D283 | E275-L279 WeakPolarHBondContact O-CB 3.27Å; E275-L279 PolarHBondContact O-N 2.68Å; E275-L279 VanDerWaalsContact O-N 3.14Å; L276-L279 PolarHBondContact O-N 3.4Å; N277-L279 VanDerWaalsContact C-N 3.32Å; N277-L279 PolarHBondContact O-N 2.66Å; L279-H281 VanDerWaalsContact C-N 3.31Å; L279-H281 PolarHBondContact O-N 2.9Å; L279-R282 PolarHBondContact O-N 3.42Å; L279-R282 VanDerWaalsContact O-N 3.16Å; L279-D283 PolarHBondContact O-N 3.27Å |
| 280 | I | 86.7 | Confident | 72.7 | Confident | 78 Ų | 78 | 105.8 Ų | 105.8 | 40% | 0.4 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.2 | -42.5 | 175.4 | -70.2 | 163.4 | 0 | 0 | 0 | 111 | L276 N277 H284 | L276-I280 HydrophobicContact CD1-CD1 4.27Å; L276-I280 HydrophobicContact CG-CD1 4.06Å; L276-I280 WeakPolarHBondContact O-CD1 3.33Å; L276-I280 VanDerWaalsContact O-CG1 3.26Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.36Å; N277-I280 PolarHBondContact O-N 2.92Å; I280-H284 PolarHBondContact O-CD2 2.78Å |
| 281 | H | 79.2 | Confident | 70.2 | Confident | 128 Ų | 128 | 107.8 Ų | 107.8 | 59% | 0.593 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.4 | -33.9 | 176.8 | -73.2 | -53.2 | 0 | 0 | 0 | 113.5 | N277 D278 L279 T285 | N277-H281 PolarHBondContact O-CD2 2.98Å; N277-H281 PolarHBondContact O-N 3.17Å; D278-H281 PolarHBondContact O-N 3.11Å; L279-H281 VanDerWaalsContact C-N 3.31Å; L279-H281 PolarHBondContact O-N 2.9Å; H281-T285 PolarHBondContact O-OG1 2.76Å |
| 282 | R | 69.3 | Low | 67.5 | Low | 157 Ų | 157 | 107.4 Ų | 107.4 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -38.8 | 179.5 | -163.6 | -178.9 | 71.2 | 161.8 | 1.8 | 113 | D278 L279 H284 T285 S286 | D278-R282 WeakPolarHBondContact O-CB 3.46Å; D278-R282 PolarHBondContact O-N 3.49Å; L279-R282 PolarHBondContact O-N 3.42Å; L279-R282 VanDerWaalsContact O-N 3.16Å; R282-H284 PolarHBondContact O-N 2.93Å; R282-T285 PolarHBondContact O-N 2.96Å; R282-T285 PolarHBondContact O-OG1 2.69Å; R282-S286 PolarHBondContact O-N 3.28Å; R282-S286 PolarHBondContact O-OG 2.68Å |
| 283 | D | 59.3 | Low | 64.7 | Low | 108 Ų | 108 | 114.7 Ų | 114.7 | 58% | 0.578 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.2 | -13.7 | -178.9 | -70.2 | -2.7 | 0 | 0 | 0 | 112.6 | L279 | L279-D283 PolarHBondContact O-N 3.27Å |
| 284 | H | 57.6 | Low | 62.2 | Low | 151 Ų | 151 | 117.2 Ų | 117.2 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -1 | 173.6 | -66.3 | -25 | 0 | 0 | 0 | 115 | I280 R282 | I280-H284 PolarHBondContact O-CD2 2.78Å; R282-H284 PolarHBondContact O-N 2.93Å |
| 285 | T | 52.2 | Low | 59.4 | Low | 108 Ų | 108 | 120.3 Ų | 120.3 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -10.7 | -176.5 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | H281 R282 S287 | H281-T285 PolarHBondContact O-OG1 2.76Å; R282-T285 PolarHBondContact O-N 2.96Å; R282-T285 PolarHBondContact O-OG1 2.69Å; T285-S287 PolarHBondContact O-N 2.79Å |
| 286 | S | 41.3 | Very low | 56.8 | Low | 90 Ų | 90 | 122.2 Ų | 122.2 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | trans | -96.8 | 56.5 | -167.7 | -58 | 0 | 0 | 0 | 0 | 114.5 | R282 | R282-S286 PolarHBondContact O-N 3.28Å; R282-S286 PolarHBondContact O-OG 2.68Å | ||
| 287 | S | 42 | Very low | 54 | Low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -131.7 | 128.4 | 169.4 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | T285 | T285-S287 PolarHBondContact O-N 2.79Š| ||
| 288 | L | 40.3 | Very low | 51.5 | Low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 67.5 | 85.3 | -175.5 | -70 | 70.6 | 0 | 0 | 0 | 116.1 | ||
| 289 | S | 38.9 | Very low | 48.9 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | -179.4 | 129 | 115.7 | 40.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 290 | S | 37.8 | Very low | 46.5 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 131 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 291 | P | 42.1 | Very low | 44.1 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 122.7 | 179.2 | 32 | -32.7 | 0 | 0 | 0 | 112.4 | ||
| 292 | S | 37.9 | Very low | 42.2 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 132.2 | 169.3 | -72.3 | 0 | 0 | 0 | 0 | 111 | ||
| 293 | R | 36.8 | Very low | 40.7 | Very low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 133.9 | 177.5 | -60.6 | 166.5 | 72.6 | -144.7 | 9.4 | 111.5 | ||
| 294 | T | 40.4 | Very low | 40 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | -157.1 | 141.1 | 132 | 13.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 295 | T | 33.3 | Very low | 39 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -83.8 | 143.7 | 177.9 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 296 | T | 38.1 | Very low | 38.4 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | -169.4 | 143.9 | 111.7 | 28.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 297 | T | 33.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -50.4 | 148.6 | 171.2 | 48 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 298 | T | 38.7 | Very low | 37.7 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 173.5 | 123.2 | 101.2 | -76.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 299 | T | 33.5 | Very low | 37.7 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 14 | 123.9 | 145.1 | -41.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 300 | C | 37.5 | Very low | 37.6 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | -168.7 | 154.2 | 115 | -106.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 301 | Q | 36.6 | Very low | 37.3 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -77.8 | 168.2 | -169 | -90.6 | -99.5 | -42.7 | 0 | 0 | 114.9 | ||||
| 302 | P | 39.8 | Very low | 36.8 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | trans | -101.1 | 173.2 | -164.4 | 40.7 | -35.7 | 0 | 0 | 0 | 114.1 | ||||
| 303 | D | 36.2 | Very low | 37.1 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -158.7 | 165.9 | 151.1 | -137.1 | -29.7 | 0 | 0 | 0 | 115.9 | ||||
| 304 | H | 45.1 | Very low | 37 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 71.7 | 66.5 | 155.4 | -62 | 2.2 | 0 | 0 | 0 | 120.5 | ||||
| 305 | N | 37.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | 42.2 | 139.5 | 104.9 | -155.5 | -2.1 | 0 | 0 | 0 | 121.6 | |||||
| 306 | K | 39.3 | Very low | 36.8 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 106.1 | 104 | 153.2 | -65 | -167.1 | 172.8 | 177.1 | 0 | 122 | ||||
| 307 | H | 35.4 | Very low | 36.9 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 78.3 | 135.2 | 130.5 | -78.3 | -69.9 | 0 | 0 | 0 | 123.2 | ||||
| 308 | S | 33.6 | Very low | 36.8 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 76 | 140 | 146.5 | -67.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 309 | T | 38.4 | Very low | 36.6 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -159.3 | 151.3 | 2.2 | 3.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 310 | K | 37 | Very low | 36.7 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 73% | 0.726 | 76% | 0.757 | S | S | * | * | trans | 65.9 | 120 | 140.4 | -76.1 | 172.3 | 178.6 | 179.4 | 0 | 122.8 | ||||
| 311 | Y | 31.8 | Very low | 36.6 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | 87.3 | 119.5 | 124.8 | -74 | -44.9 | 0 | 0 | 0 | 123.5 | |||||
| 312 | N | 31.6 | Very low | 36.7 | Very low | 123 Ų | 123 | 153.5 Ų | 153.5 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | trans | 55.1 | 118.2 | 134.5 | -68.6 | 18.8 | 0 | 0 | 0 | 121.1 | ||||
| 313 | K | 43.7 | Very low | 36.6 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | -140.5 | 111.3 | 119.1 | -163.4 | 169.2 | -175.3 | 179 | 0 | 111.3 | |||||
| 314 | E | 35 | Very low | 36.5 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 147.6 | 165.4 | -60.8 | 164.8 | 136.6 | 0 | 0 | 108.9 | ||||
| 315 | N | 36.1 | Very low | 36.2 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | 170.1 | 170.8 | 89.9 | -150.6 | -9 | 0 | 0 | 0 | 111.8 | |||||
| 316 | S | 35.1 | Very low | 36.1 | Very low | 88 Ų | 88 | 153.1 Ų | 153.1 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | 87.4 | 107.3 | 156.2 | -167.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 317 | L | 38.9 | Very low | 36.1 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 71.6 | 149.2 | 152.4 | -61.8 | 167.2 | 0 | 0 | 0 | 119.6 | ||||
| 318 | N | 32 | Very low | 36.3 | Very low | 143 Ų | 143 | 157.9 Ų | 157.9 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | 178.5 | 93.2 | -50.1 | 167.3 | 52 | 0 | 0 | 0 | 107.2 | |||||
| 319 | E | 34 | Very low | 36.6 | Very low | 186 Ų | 186 | 161.3 Ų | 161.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -147.3 | 119.2 | 165.8 | -169.4 | 155.8 | -142.5 | 0 | 0 | 110.4 | R321 | E319-R321 PolarHBondContact O-N 3.28Å; E319-R321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | S | 36.2 | Very low | 37 | Very low | 101 Ų | 101 | 163.3 Ų | 163.3 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -82.9 | 90.9 | -169.8 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | Y322 | S320-Y322 PolarHBondContact O-N 3.3Š| ||
| 321 | R | 34.5 | Very low | 37.4 | Very low | 239 Ų | 239 | 162.8 Ų | 162.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -61.2 | 103.9 | 166.7 | -63.4 | -177 | -174.3 | -178.7 | 1 | 109.6 | E319 A323 | E319-R321 PolarHBondContact O-N 3.28Å; E319-R321 VanDerWaalsContact O-N 3.12Å; R321-A323 PolarHBondContact O-N 3.33Å | ||
| 322 | Y | 39.2 | Very low | 38 | Very low | 223 Ų | 223 | 161.5 Ų | 161.5 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -69.2 | 113.1 | 168.6 | -116.6 | -97.4 | 0 | 0 | 0 | 108.7 | S320 C324 | S320-Y322 PolarHBondContact O-N 3.3Å; Y322-C324 PolarHBondContact O-N 3.28Å | ||
| 323 | A | 37.6 | Very low | 38.3 | Very low | 74 Ų | 74 | 162.6 Ų | 162.6 | 61% | 0.612 | 81% | 0.813 | S | S | * | * | trans | -70.1 | 114.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | R321 D325 | R321-A323 PolarHBondContact O-N 3.33Å; A323-D325 PolarHBondContact O-N 2.68Å | ||
| 324 | C | 34 | Very low | 37.8 | Very low | 131 Ų | 131 | 155.5 Ų | 155.5 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 75.9 | 177.2 | -160.7 | 0 | 0 | 0 | 0 | 108.5 | Y322 E326 | Y322-C324 PolarHBondContact O-N 3.28Å; C324-E326 PolarHBondContact O-N 3.42Å | ||
| 325 | D | 39.6 | Very low | 37.8 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | -69.2 | 101.5 | -174.3 | -70.1 | -15.8 | 0 | 0 | 0 | 111.9 | A323 Y327 | A323-D325 PolarHBondContact O-N 2.68Å; D325-Y327 PolarHBondContact O-N 2.78Å | ||
| 326 | E | 35 | Very low | 38.1 | Very low | 186 Ų | 186 | 155.7 Ų | 155.7 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 40.5 | 77.4 | 141.7 | -59.6 | -174.6 | 161.9 | 0 | 0 | 118.4 | C324 | C324-E326 PolarHBondContact O-N 3.42Š| ||
| 327 | Y | 40.6 | Very low | 38.4 | Very low | 212 Ų | 212 | 158.9 Ų | 158.9 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -152.1 | 141.7 | 144.9 | -136.3 | -105.8 | 0 | 0 | 0 | 110.4 | D325 | D325-Y327 PolarHBondContact O-N 2.78Š| ||
| 328 | Y | 39.1 | Very low | 38.7 | Very low | 214 Ų | 214 | 158.7 Ų | 158.7 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 69.9 | 77.6 | -167.3 | -61.1 | -86.5 | 0 | 0 | 0 | 116.2 | ||||
| 329 | D | 39.8 | Very low | 39 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -150.9 | 80.8 | 141.6 | -116.1 | -22.7 | 0 | 0 | 0 | 109.1 | ||||
| 330 | D | 46.1 | Very low | 39.8 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -157.4 | 144.9 | 169.4 | -157.4 | -6.4 | 0 | 0 | 0 | 108.3 | ||||
| 331 | L | 46.4 | Very low | 40.3 | Very low | 155 Ų | 155 | 157.4 Ų | 157.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 70.7 | 58.9 | -168.5 | -49.2 | 178.6 | 0 | 0 | 0 | 117.2 | ||||
| 332 | N | 43.2 | Very low | 41.1 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -132.5 | 157 | 136.8 | -161.3 | 20.7 | 0 | 0 | 0 | 111.1 | ||
| 333 | D | 38.2 | Very low | 41.7 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -63.8 | 143.8 | -167.9 | -159.4 | -4.2 | 0 | 0 | 0 | 113.6 | ||||
| 334 | G | 33.8 | Very low | 42.1 | Very low | 60 Ų | 60 | 153.8 Ų | 153.8 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | trans | -167 | 26.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T336 | G334-T336 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 2.96Å | ||
| 335 | F | 34.4 | Very low | 42.7 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -74.8 | 77.3 | 177.7 | -119.1 | -75.6 | 0 | 0 | 0 | 112.5 | ||||
| 336 | T | 43.3 | Very low | 42.6 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -141.6 | 106.8 | 166.5 | 31.6 | 0 | 0 | 0 | 0 | 110 | G334 | G334-T336 VanDerWaalsContact C-N 3.31Å; G334-T336 PolarHBondContact O-N 2.96Å | ||
| 337 | H | 40.1 | Very low | 42.9 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -58.6 | 134.6 | 161.4 | -91.2 | -92.4 | 0 | 0 | 0 | 109.4 | D339 | H337-D339 IonicContact CE1-OD2 2.69Å; H337-D339 IonicContact CG-OD2 3.75Å; H337-D339 IonicContact ND1-OD2 2.97Å; H337-D339 PolarHBondContact ND1-OD2 2.92Å | ||
| 338 | H | 46.3 | Very low | 42.7 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 73% | 0.731 | 79% | 0.791 | S | S | * | * | trans | -149.9 | 72.9 | 157.1 | -139.1 | -57.5 | 0 | 0 | 0 | 107.1 | D340 | H338-D340 IonicContact CE1-OD1 3.88Å; H338-D340 PolarHBondContact CE1-OD1 3.07Å; H338-D340 IonicContact CE1-OD2 2.88Å; H338-D340 IonicContact ND1-OD1 2.61Å; H338-D340 PolarHBondContact ND1-OD1 3.39Å; H338-D340 IonicContact ND1-OD2 3.58Å; H338-D340 PolarHBondContact ND1-OD2 2.93Å; H338-D340 PolarHBondContact O-N 2.7Å | ||
| 339 | D | 38.5 | Very low | 42.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 96.1 | 170.4 | -48.9 | -67.7 | 0 | 0 | 0 | 107.1 | H337 D341 | H337-D339 IonicContact CE1-OD2 2.69Å; H337-D339 IonicContact CG-OD2 3.75Å; H337-D339 IonicContact ND1-OD2 2.97Å; H337-D339 PolarHBondContact ND1-OD2 2.92Å; D339-D341 VanDerWaalsContact C-N 3.34Å; D339-D341 PolarHBondContact O-N 2.81Å | ||
| 340 | D | 50.4 | Low | 42.5 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -90.9 | 75.1 | 169 | -67.3 | -18.4 | 0 | 0 | 0 | 108.2 | H338 D342 | H338-D340 IonicContact CE1-OD1 3.88Å; H338-D340 PolarHBondContact CE1-OD1 3.07Å; H338-D340 IonicContact CE1-OD2 2.88Å; H338-D340 IonicContact ND1-OD1 2.61Å; H338-D340 PolarHBondContact ND1-OD1 3.39Å; H338-D340 IonicContact ND1-OD2 3.58Å; H338-D340 PolarHBondContact ND1-OD2 2.93Å; H338-D340 PolarHBondContact O-N 2.7Å; D340-D342 PolarHBondContact O-N 3.5Å | ||
| 341 | D | 46.5 | Very low | 42.2 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -72.6 | 114.1 | 163.1 | -82 | -45.3 | 0 | 0 | 0 | 109 | D339 | D339-D341 VanDerWaalsContact C-N 3.34Å; D339-D341 PolarHBondContact O-N 2.81Å | ||
| 342 | D | 51.3 | Low | 41.8 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -168.7 | 116.3 | 144.1 | -110.2 | -27.4 | 0 | 0 | 0 | 111.4 | D340 | D340-D342 PolarHBondContact O-N 3.5Š| ||
| 343 | D | 51.3 | Low | 41.7 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | -170.4 | 100.1 | 122.9 | -104.7 | -19.7 | 0 | 0 | 0 | 108.5 | |||||
| 344 | N | 47.1 | Very low | 41.8 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -103.2 | 122.3 | -177.7 | 162.9 | 41.6 | 0 | 0 | 0 | 110.7 | ||||
| 345 | D | 45.3 | Very low | 42.1 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 91% | 0.914 | 77% | 0.772 | S | S | * | * | trans | -163.4 | 130.9 | 165.9 | -105.9 | -24.7 | 0 | 0 | 0 | 109.6 | ||||
| 346 | G | 38.9 | Very low | 42.5 | Very low | 57 Ų | 57 | 139 Ų | 139 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | cis | -176.3 | 138.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 347 | V | 40.6 | Very low | 42.6 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | trans | 42.8 | 128.4 | 137.4 | -176.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 348 | G | 37.1 | Very low | 42.9 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 123.5 | 129 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 349 | G | 36.2 | Very low | 43.1 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | cis | 162.7 | 165.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 350 | D | 37.3 | Very low | 43.6 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 151.4 | 164.2 | -54.8 | -19.8 | 0 | 0 | 0 | 117.6 | ||||
| 351 | L | 40.1 | Very low | 43.3 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | cis | -174.4 | 131.7 | -29.2 | -115.9 | 163 | 0 | 0 | 0 | 106.7 | ||||
| 352 | E | 38.7 | Very low | 43.3 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -165.7 | 110.2 | 138.5 | -117.4 | 164.3 | -177.1 | 0 | 0 | 116.8 | ||||
| 353 | Y | 40.2 | Very low | 42.7 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 41.9 | 126.9 | 137 | -72.2 | -104 | 0 | 0 | 0 | 124.7 | ||||
| 354 | H | 39.7 | Very low | 42.2 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 63% | 0.634 | 77% | 0.768 | S | S | * | * | trans | 54.1 | 156 | 134.1 | -80 | -95.5 | 0 | 0 | 0 | 120.2 | D356 | H354-D356 IonicContact CE1-OD1 2.67Å; H354-D356 PolarHBondContact CE1-OD1 3.34Å; H354-D356 IonicContact CE1-OD2 2.69Å; H354-D356 PolarHBondContact CE1-OD2 3.35Å; H354-D356 IonicContact ND1-OD1 2.89Å; H354-D356 IonicContact ND1-OD2 3.09Å; H354-D356 PolarHBondContact ND1-OD2 2.84Å | ||
| 355 | E | 40.7 | Very low | 41.6 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | cis | -127 | 160.7 | 23.8 | -66.3 | 171.7 | 148 | 0 | 0 | 115.1 | ||||
| 356 | D | 43.1 | Very low | 41.3 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | -60.5 | 175.8 | 176.7 | -39.5 | -88.1 | 0 | 0 | 0 | 112.8 | H354 | H354-D356 IonicContact CE1-OD1 2.67Å; H354-D356 PolarHBondContact CE1-OD1 3.34Å; H354-D356 IonicContact CE1-OD2 2.69Å; H354-D356 PolarHBondContact CE1-OD2 3.35Å; H354-D356 IonicContact ND1-OD1 2.89Å; H354-D356 IonicContact ND1-OD2 3.09Å; H354-D356 PolarHBondContact ND1-OD2 2.84Å | ||
| 357 | V | 46 | Very low | 41.1 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | -169.8 | 142.7 | 56.2 | 169.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 358 | D | 46.4 | Very low | 40.8 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | 27.8 | 157.6 | 150.9 | -42 | -15.2 | 0 | 0 | 0 | 121.7 | ||||
| 359 | D | 49.6 | Very low | 40.5 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | cis | -154.9 | 173.7 | -15.3 | -117.8 | -37.6 | 0 | 0 | 0 | 104.9 | ||||
| 360 | D | 49.5 | Very low | 40.5 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | cis | -165.5 | 172.2 | 46 | -139.8 | -34.6 | 0 | 0 | 0 | 110.1 | ||||
| 361 | K | 44.3 | Very low | 40.2 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | trans | -114.2 | 161.4 | -175.2 | -62.3 | 168.8 | -174.5 | 153.3 | 0 | 113.8 | ||||
| 362 | E | 46.3 | Very low | 39.8 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | -154.5 | 148.3 | 117.8 | -123.4 | 179.2 | -166.9 | 0 | 0 | 113 | |||||
| 363 | D | 38.2 | Very low | 39.4 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | -104.1 | 151.7 | -173.1 | -102.9 | -58.5 | 0 | 0 | 0 | 112.4 | ||||
| 364 | G | 40.4 | Very low | 39 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -150.9 | 38.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 365 | S | 34.8 | Very low | 38.8 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -72.3 | 152.3 | -179.6 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 366 | I | 38.5 | Very low | 38.2 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | 173.8 | 119.4 | 123.2 | -87.9 | 157.7 | 0 | 0 | 0 | 113.4 | |||||
| 367 | N | 35.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | trans | 53.3 | 111 | 144.9 | -67.8 | -12.7 | 0 | 0 | 0 | 125.2 | ||||
| 368 | N | 33.6 | Very low | 36.9 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | 76.7 | 125.8 | 105.5 | -59 | -13.2 | 0 | 0 | 0 | 124.6 | |||||
| 369 | N | 32.2 | Very low | 36.1 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | 102.2 | 146 | 123.5 | -81.9 | -15.3 | 0 | 0 | 0 | 122.3 | |||||
| 370 | S | 34.7 | Very low | 35.2 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 59.8 | 106.4 | 174.9 | 27.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 371 | K | 31.7 | Very low | 34.3 | Very low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | cis | 80.5 | 126.4 | 44.4 | -167.3 | -169.9 | 177.6 | -177.7 | 0 | 113.5 | ||||
| 372 | T | 32.1 | Very low | 33.7 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | 123.3 | 99.9 | 153.4 | -45.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 373 | E | 31.3 | Very low | 33 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | 52.8 | 121.2 | 142.7 | -57 | -163.2 | 99.3 | 0 | 0 | 125.1 | ||||
| 374 | K | 31.3 | Very low | 32.6 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | 45.2 | 113.4 | 124 | -55.4 | 168.5 | -175.5 | 157.4 | 0 | 120.4 | |||||
| 375 | S | 34.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -158.8 | 150.5 | 131.4 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 376 | N | 27.7 | Very low | 32 | Very low | 172 Ų | 172 | 146 Ų | 146 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | trans | -97.9 | 138.2 | 178.9 | -58.5 | -74.7 | 0 | 0 | 0 | 111.6 | ||||
| 377 | A | 31.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -161.4 | 154.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 378 | K | 31.3 | Very low | 31.4 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -87.9 | 148 | -179.2 | -56.2 | 164 | 180 | 171.4 | 0 | 111.6 | ||||
| 379 | L | 29.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | -174.2 | 129.4 | 124.7 | -114.2 | 72.9 | 0 | 0 | 0 | 105.9 | |||||
| 380 | L | 29.4 | Very low | 31 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | cis | 95.6 | 90.4 | 36 | -160.9 | 174.6 | 0 | 0 | 0 | 112.9 | ||||
| 381 | N | 30.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -177.6 | 116 | 143 | -92.8 | -29.2 | 0 | 0 | 0 | 106.7 | ||||
| 382 | K | 32.2 | Very low | 30.7 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 61% | 0.609 | 79% | 0.785 | S | S | * | * | cis | 77.5 | 108.3 | 46.5 | -164.7 | 173.1 | -175.1 | 173.6 | 0 | 113.5 | E384 | K382-E384 VanDerWaalsContact CE-OE1 3.24Å; K382-E384 WeakPolarHBondContact CE-OE1 3.31Å; K382-E384 WeakPolarHBondContact CE-OE2 3.4Å; K382-E384 IonicContact NZ-OE1 2.68Å; K382-E384 PolarHBondContact NZ-OE1 3.25Å; K382-E384 VanDerWaalsContact NZ-OE1 3.14Å; K382-E384 IonicContact NZ-OE2 3.94Å; K382-E384 PolarHBondContact NZ-OE2 3.02Å | ||
| 383 | K | 32.7 | Very low | 30.5 | Very low | 204 Ų | 204 | 152.2 Ų | 152.2 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -145.9 | 99.1 | 158.5 | -168 | 169.5 | -173 | 173.3 | 0 | 109.5 | ||||
| 384 | E | 28.5 | Very low | 30.5 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | trans | -91.3 | 148.4 | 171.3 | -71.2 | 164.8 | 170.6 | 0 | 0 | 109.8 | K382 | K382-E384 VanDerWaalsContact CE-OE1 3.24Å; K382-E384 WeakPolarHBondContact CE-OE1 3.31Å; K382-E384 WeakPolarHBondContact CE-OE2 3.4Å; K382-E384 IonicContact NZ-OE1 2.68Å; K382-E384 PolarHBondContact NZ-OE1 3.25Å; K382-E384 VanDerWaalsContact NZ-OE1 3.14Å; K382-E384 IonicContact NZ-OE2 3.94Å; K382-E384 PolarHBondContact NZ-OE2 3.02Å | ||
| 385 | T | 33.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -136.7 | 111.6 | 156.4 | 47.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 386 | N | 28.5 | Very low | 30.1 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -64.7 | 162.4 | 173.6 | -59.7 | -62.9 | 0 | 0 | 0 | 111.3 | ||||
| 387 | Y | 31.4 | Very low | 30.1 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | -155.1 | 146.1 | 119.7 | -114.5 | -72.9 | 0 | 0 | 0 | 113.4 | |||||
| 388 | S | 31.2 | Very low | 30.1 | Very low | 100 Ų | 100 | 150.5 Ų | 150.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -16.1 | 133.3 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 389 | S | 26.1 | Very low | 29.9 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -63.8 | 146.3 | 141.6 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 390 | E | 30.8 | Very low | 29.9 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -123.2 | 140 | 163.4 | -165.8 | 163.8 | -125.5 | 0 | 0 | 109.9 | ||||
| 391 | I | 28.8 | Very low | 29.9 | Very low | 143 Ų | 143 | 143 Ų | 143 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -112.5 | 120 | -166.8 | -61.6 | 172.4 | 0 | 0 | 0 | 109.9 | ||||
| 392 | M | 31.8 | Very low | 29.9 | Very low | 185 Ų | 185 | 141 Ų | 141 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | trans | -118.4 | 121.9 | 161 | -67.7 | -154.8 | 79.2 | 0 | 0 | 110.3 | ||||
| 393 | N | 27.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -112 | 120.6 | -178 | 177.1 | 1.4 | 0 | 0 | 0 | 109.4 | ||||
| 394 | S | 29.9 | Very low | 30.4 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | trans | -143.4 | 55.2 | -175.7 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | S396 | S394-S396 PolarHBondContact O-N 2.84Š| ||
| 395 | Q | 28.4 | Very low | 30.8 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -61.4 | 127.3 | 175.1 | -161.5 | 75.4 | 25.8 | 0 | 0 | 112.5 | ||||
| 396 | S | 29.8 | Very low | 31 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -123.3 | 129.9 | 168.3 | 55.2 | 0 | 0 | 0 | 0 | 111 | S394 | S394-S396 PolarHBondContact O-N 2.84Š| ||
| 397 | P | 28.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -99.2 | 143.7 | 174.3 | 35.8 | -30.9 | 0 | 0 | 0 | 112 | ||||
| 398 | I | 31 | Very low | 31.7 | Very low | 174 Ų | 174 | 127 Ų | 127 | 89% | 0.892 | 71% | 0.709 | S | S | * | * | trans | -132.9 | 139.9 | 163.4 | -62.3 | -178.4 | 0 | 0 | 0 | 107.1 | ||||
| 399 | D | 27 | Very low | 32 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -137.1 | 163.5 | -159.4 | -166.5 | 16.1 | 0 | 0 | 0 | 112.6 | ||||
| 400 | I | 29.3 | Very low | 32.6 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 68% | 0.677 | 68% | 0.68 | S | S | * | * | trans | 56.1 | 114.6 | 167.6 | -61.2 | 144.5 | 0 | 0 | 0 | 118.1 | ||||
| 401 | S | 30 | Very low | 33 | Very low | 73 Ų | 73 | 120.1 Ų | 120.1 | 51% | 0.51 | 66% | 0.664 | S | S | . | * | trans | -154.8 | 41.2 | 132.5 | -146.9 | 0 | 0 | 0 | 0 | 114.1 | K403 | S401-K403 PolarHBondContact O-N 3.21Å; S401-K403 VanDerWaalsContact O-N 3.08Å | ||
| 402 | S | 30.2 | Very low | 33.5 | Very low | 102 Ų | 102 | 118.3 Ų | 118.3 | 71% | 0.713 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 11.6 | -178.9 | 49.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 403 | K | 37.7 | Very low | 34 | Very low | 185 Ų | 185 | 113.7 Ų | 113.7 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 0.3 | -175 | -102.5 | -173.2 | 175.9 | -177 | 0 | 116.3 | S401 | S401-K403 PolarHBondContact O-N 3.21Å; S401-K403 VanDerWaalsContact O-N 3.08Å |
| 404 | I | 37.9 | Very low | 34.6 | Very low | 124 Ų | 124 | 111.9 Ų | 111.9 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -101.9 | -15.1 | 178.2 | -60.4 | 178.9 | 0 | 0 | 0 | 111.7 | ||
| 405 | I | 38.3 | Very low | 35.1 | Very low | 107 Ų | 107 | 111.8 Ų | 111.8 | 55% | 0.549 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -78.6 | -30 | -168.4 | -62.6 | 172.6 | 0 | 0 | 0 | 112.9 | D407 S408 L409 | I405-D407 PolarHBondContact O-N 2.9Å; I405-S408 PolarHBondContact O-N 3.3Å; I405-L409 HydrophobicContact CG2-CD1 3.86Å; I405-L409 WeakPolarHBondContact O-CD1 3.46Å; I405-L409 PolarHBondContact O-N 3.05Å |
| 406 | T | 36.4 | Very low | 35.6 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.7 | -39.3 | -176.9 | 45.9 | 0 | 0 | 0 | 0 | 113.7 | T410 | T406-T410 PolarHBondContact O-N 3.28Å; T406-T410 PolarHBondContact O-OG1 2.86Å |
| 407 | D | 35.8 | Very low | 35.9 | Very low | 109 Ų | 109 | 106.7 Ų | 106.7 | 58% | 0.583 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -84 | -24.5 | -171.1 | -57.2 | 8 | 0 | 0 | 0 | 110.4 | I405 N411 | I405-D407 PolarHBondContact O-N 2.9Å; D407-N411 PolarHBondContact O-ND2 2.68Å |
| 408 | S | 39.9 | Very low | 36.3 | Very low | 67 Ų | 67 | 108.7 Ų | 108.7 | 47% | 0.469 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.2 | -46.3 | 170.3 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | I405 T410 N411 R412 | I405-S408 PolarHBondContact O-N 3.3Å; S408-T410 PolarHBondContact O-N 3.14Å; S408-N411 PolarHBondContact O-N 3.36Å; S408-R412 PolarHBondContact O-N 3.09Å |
| 409 | L | 36.9 | Very low | 36.6 | Very low | 96 Ų | 96 | 104 Ų | 104 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.3 | -45.8 | 177.4 | -102.3 | 75.2 | 0 | 0 | 0 | 112.1 | I405 N411 R412 I413 | I405-L409 HydrophobicContact CG2-CD1 3.86Å; I405-L409 WeakPolarHBondContact O-CD1 3.46Å; I405-L409 PolarHBondContact O-N 3.05Å; L409-N411 PolarHBondContact O-N 3.42Å; L409-R412 PolarHBondContact O-N 3.2Å; L409-I413 WeakPolarHBondContact O-CG1 3.49Å; L409-I413 PolarHBondContact O-N 3.49Å; L409-I413 VanDerWaalsContact O-N 3.07Å |
| 410 | T | 39.5 | Very low | 36.8 | Very low | 52 Ų | 52 | 104.2 Ų | 104.2 | 32% | 0.319 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.6 | -34.2 | -175.8 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | T406 S408 N620 | T406-T410 PolarHBondContact O-N 3.28Å; T406-T410 PolarHBondContact O-OG1 2.86Å; S408-T410 PolarHBondContact O-N 3.14Å; T410-N620 PolarHBondContact OG1-ND2 3Å |
| 411 | N | 39 | Very low | 37.1 | Very low | 107 Ų | 107 | 106 Ų | 106 | 57% | 0.572 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -81.1 | -22.6 | 175.8 | -74.5 | -67.2 | 0 | 0 | 0 | 114.2 | D407 S408 L409 N415 | D407-N411 PolarHBondContact O-ND2 2.68Å; S408-N411 PolarHBondContact O-N 3.36Å; L409-N411 PolarHBondContact O-N 3.42Å; N411-N415 PolarHBondContact O-ND2 2.93Å |
| 412 | R | 39.5 | Very low | 37.3 | Very low | 105 Ų | 105 | 107 Ų | 107 | 40% | 0.396 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.4 | -44.1 | 172.2 | -84.6 | -177.8 | 162.9 | -126 | -8.3 | 112 | S5 D9 S408 L409 N414 N415 Q416 | S5-R412 PolarHBondContact OG-NH2 3.34Å; D9-R412 IonicContact OD1-NH1 3.8Å; D9-R412 PolarHBondContact OD1-NH1 3.03Å; D9-R412 IonicContact OD1-NH2 2.65Å; D9-R412 IonicContact OD2-NH2 3.26Å; D9-R412 PolarHBondContact OD2-NH2 3.02Å; S408-R412 PolarHBondContact O-N 3.09Å; L409-R412 PolarHBondContact O-N 3.2Å; R412-N414 PolarHBondContact O-N 3.04Å; R412-N415 PolarHBondContact O-N 3.01Å; R412-N415 VanDerWaalsContact O-N 3.12Å; R412-Q416 PolarHBondContact O-N 3.33Å; R412-Q416 VanDerWaalsContact O-N 3.15Å |
| 413 | I | 41.6 | Very low | 37.3 | Very low | 87 Ų | 87 | 108.7 Ų | 108.7 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.3 | -47.2 | -177.4 | -66.8 | 164 | 0 | 0 | 0 | 111 | L409 N415 Q416 S417 | L409-I413 WeakPolarHBondContact O-CG1 3.49Å; L409-I413 PolarHBondContact O-N 3.49Å; L409-I413 VanDerWaalsContact O-N 3.07Å; I413-N415 PolarHBondContact O-N 2.97Å; I413-N415 VanDerWaalsContact O-N 3.16Å; I413-Q416 PolarHBondContact O-N 3.35Å; I413-S417 PolarHBondContact O-N 2.82Å; I413-S417 PolarHBondContact O-OG 3.47Å |
| 414 | N | 39.6 | Very low | 36.8 | Very low | 99 Ų | 99 | 104.8 Ų | 104.8 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.9 | -23.1 | 178.9 | -75.3 | -19.9 | 0 | 0 | 0 | 114.7 | R412 | R412-N414 PolarHBondContact O-N 3.04Å |
| 415 | N | 40.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -89.2 | -35.8 | 177.4 | -78.2 | -50.7 | 0 | 0 | 0 | 112.5 | N411 R412 I413 S417 K418 | N411-N415 PolarHBondContact O-ND2 2.93Å; R412-N415 PolarHBondContact O-N 3.01Å; R412-N415 VanDerWaalsContact O-N 3.12Å; I413-N415 PolarHBondContact O-N 2.97Å; I413-N415 VanDerWaalsContact O-N 3.16Å; N415-S417 VanDerWaalsContact C-N 3.32Å; N415-S417 PolarHBondContact O-N 3.09Å; N415-K418 PolarHBondContact O-N 2.97Å |
| 416 | Q | 39.7 | Very low | 36.4 | Very low | 111 Ų | 111 | 108.3 Ų | 108.3 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.5 | -34.5 | 177.1 | -72.8 | -175.4 | -18.5 | 0 | 0 | 112.5 | R412 I413 K418 T419 F420 | R412-Q416 PolarHBondContact O-N 3.33Å; R412-Q416 VanDerWaalsContact O-N 3.15Å; I413-Q416 PolarHBondContact O-N 3.35Å; Q416-K418 PolarHBondContact O-N 3.41Å; Q416-K418 VanDerWaalsContact O-N 3.14Å; Q416-T419 PolarHBondContact O-N 3.47Å; Q416-F420 PolarHBondContact O-N 3Å |
| 417 | S | 35.9 | Very low | 36.2 | Very low | 58 Ų | 58 | 109.5 Ų | 109.5 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.3 | -28 | 176.4 | -57 | 0 | 0 | 0 | 0 | 114 | I413 N415 | I413-S417 PolarHBondContact O-N 2.82Å; I413-S417 PolarHBondContact O-OG 3.47Å; N415-S417 VanDerWaalsContact C-N 3.32Å; N415-S417 PolarHBondContact O-N 3.09Å |
| 418 | K | 37.9 | Very low | 36.1 | Very low | 162 Ų | 162 | 110.2 Ų | 110.2 | 70% | 0.704 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78 | -25.6 | 176.6 | -68.6 | -174.6 | 176.5 | -179 | 0 | 113.1 | N415 Q416 | N415-K418 PolarHBondContact O-N 2.97Å; Q416-K418 PolarHBondContact O-N 3.41Å; Q416-K418 VanDerWaalsContact O-N 3.14Å |
| 419 | T | 37.5 | Very low | 35.7 | Very low | 76 Ų | 76 | 115.6 Ų | 115.6 | 47% | 0.466 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -78.3 | -36.7 | 178.8 | -40.6 | 0 | 0 | 0 | 0 | 111.8 | Q416 Q421 S422 M423 | Q416-T419 PolarHBondContact O-N 3.47Å; T419-Q421 VanDerWaalsContact C-N 3.34Å; T419-Q421 PolarHBondContact O-N 3.37Å; T419-S422 WeakPolarHBondContact O-CB 3.36Å; T419-S422 PolarHBondContact O-N 3.01Å; T419-S422 VanDerWaalsContact O-N 3.14Å; T419-M423 HydrophobicContact CG2-CE 3.77Å |
| 420 | F | 30.8 | Very low | 35.4 | Very low | 140 Ų | 140 | 114.3 Ų | 114.3 | 61% | 0.614 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.8 | -32.8 | -179.4 | -88.6 | -81.7 | 0 | 0 | 0 | 114.1 | Q416 S422 M423 C424 | Q416-F420 PolarHBondContact O-N 3Å; F420-S422 PolarHBondContact O-N 3.31Å; F420-M423 PolarHBondContact O-N 3.03Å; F420-C424 PolarHBondContact O-SG 3.41Å; F420-C424 VanDerWaalsContact O-SG 3.41Å |
| 421 | Q | 35.6 | Very low | 35 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.1 | -19.7 | 175.7 | -72 | -174.9 | -23 | 0 | 0 | 113.6 | T419 | T419-Q421 VanDerWaalsContact C-N 3.34Å; T419-Q421 PolarHBondContact O-N 3.37Å |
| 422 | S | 33.3 | Very low | 34.7 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.5 | -24.3 | -180 | -164.2 | 0 | 0 | 0 | 0 | 113.7 | T419 F420 | T419-S422 WeakPolarHBondContact O-CB 3.36Å; T419-S422 PolarHBondContact O-N 3.01Å; T419-S422 VanDerWaalsContact O-N 3.14Å; F420-S422 PolarHBondContact O-N 3.31Å |
| 423 | M | 30.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -91.6 | -11 | -175.7 | -63.7 | -169.3 | -130.6 | 0 | 0 | 114.2 | T419 F420 K425 | T419-M423 HydrophobicContact CG2-CE 3.77Å; F420-M423 PolarHBondContact O-N 3.03Å; M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 2.63Å |
| 424 | C | 27.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 70% | 0.703 | 68% | 0.676 | S | S | * | * | trans | -83.1 | 71.8 | -178 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | F420 | F420-C424 PolarHBondContact O-SG 3.41Å; F420-C424 VanDerWaalsContact O-SG 3.41Å | ||
| 425 | K | 32.3 | Very low | 33.6 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | trans | -116 | 120.1 | 164.6 | -71.7 | -175.8 | 179.8 | 177.9 | 0 | 109.7 | M423 T427 | M423-K425 VanDerWaalsContact C-N 3.35Å; M423-K425 PolarHBondContact O-N 2.63Å; K425-T427 PolarHBondContact O-N 2.91Å | ||
| 426 | P | 33.8 | Very low | 33.5 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | trans | -75.4 | 109.2 | -178.4 | 29.1 | -33.2 | 0 | 0 | 0 | 111 | ||||
| 427 | T | 32.9 | Very low | 33.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | trans | -73 | 123.1 | 166 | -40.7 | 0 | 0 | 0 | 0 | 108.6 | K425 F429 | K425-T427 PolarHBondContact O-N 2.91Å; T427-F429 PolarHBondContact O-N 2.93Å | ||
| 428 | P | 33.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | trans | -73.6 | 95.8 | -176.2 | 28.7 | -34.4 | 0 | 0 | 0 | 111.3 | G430 | P428-G430 PolarHBondContact O-N 3Å; P428-G430 VanDerWaalsContact O-N 3.07Å | ||
| 429 | F | 31.8 | Very low | 34.1 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 79% | 0.789 | 70% | 0.695 | S | S | * | * | trans | -72.7 | 93.8 | 166.9 | -92.6 | -87.1 | 0 | 0 | 0 | 109.9 | T427 F431 | T427-F429 PolarHBondContact O-N 2.93Å; F429-F431 PolarHBondContact O-N 3.39Å | ||
| 430 | G | 29.8 | Very low | 34.5 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P428 | P428-G430 PolarHBondContact O-N 3Å; P428-G430 VanDerWaalsContact O-N 3.07Å |
| 431 | F | 31.1 | Very low | 35.8 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 82% | 0.82 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 130.3 | 169.9 | -75.1 | -97.8 | 0 | 0 | 0 | 109.5 | F429 I433 | F429-F431 PolarHBondContact O-N 3.39Å; F431-I433 PolarHBondContact O-N 3.37Å |
| 432 | P | 34.2 | Very low | 36.3 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 58% | 0.584 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.5 | 170.2 | 28.1 | -32.4 | 0 | 0 | 0 | 109.1 | F434 | P432-F434 PolarHBondContact O-N 3.08Š|
| 433 | I | 34.3 | Very low | 37 | Very low | 154 Ų | 154 | 122 Ų | 122 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 126.6 | 173 | -63.8 | 174.7 | 0 | 0 | 0 | 107.6 | F431 Q435 | F431-I433 PolarHBondContact O-N 3.37Å; I433-Q435 PolarHBondContact O-N 2.82Å; I433-Q435 VanDerWaalsContact O-N 3.13Å |
| 434 | F | 29.7 | Very low | 37.8 | Very low | 170 Ų | 170 | 118.2 Ų | 118.2 | 75% | 0.746 | 69% | 0.691 | S | S | * | * | trans | -66.7 | 110.4 | 179.1 | -67.2 | -99.4 | 0 | 0 | 0 | 110.3 | P432 L449 | P432-F434 PolarHBondContact O-N 3.08Å; F434-L449 HydrophobicContact CD1-CD1 3.62Å; F434-L449 HydrophobicContact CE1-CD1 3.45Å; F434-L449 VanDerWaalsContact CE1-CD1 3.45Å; F434-L449 HydrophobicContact CZ-CD1 4.27Å | ||
| 435 | Q | 33.7 | Very low | 38.7 | Very low | 168 Ų | 168 | 116.3 Ų | 116.3 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | trans | -113.8 | 125.9 | 160.3 | -67.6 | -171.6 | -61.4 | 0 | 0 | 107.9 | I433 V437 | I433-Q435 PolarHBondContact O-N 2.82Å; I433-Q435 VanDerWaalsContact O-N 3.13Å; Q435-V437 PolarHBondContact O-N 2.91Å | ||
| 436 | P | 37.4 | Very low | 39.2 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | trans | -67.9 | 121.7 | 174.2 | 28.1 | -32.4 | 0 | 0 | 0 | 109.2 | C438 | P436-C438 PolarHBondContact O-N 2.99Š| ||
| 437 | V | 41.3 | Very low | 39.7 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | trans | -84.5 | 95.8 | 170.6 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | Q435 | Q435-V437 PolarHBondContact O-N 2.91Š| ||
| 438 | C | 37.5 | Very low | 39.9 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 55% | 0.547 | 67% | 0.671 | S | S | . | * | B | Isolated β-bridge | trans | -65.5 | 133.5 | 166.3 | -60.1 | 0 | 0 | 0 | 0 | 109 | P436 | P436-C438 PolarHBondContact O-N 2.99Å |
| 439 | D | 47.6 | Very low | 39.8 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | trans | -83.6 | 180 | 169.1 | 78.8 | 12.1 | 0 | 0 | 0 | 111.3 | S441 G442 | D439-S441 PolarHBondContact O-N 2.89Å; D439-S441 VanDerWaalsContact O-N 3.14Å; D439-S441 WeakPolarHBondContact OD1-CA 3.21Å; D439-S441 VanDerWaalsContact OD1-CB 3.26Å; D439-S441 WeakPolarHBondContact OD1-CB 3.42Å; D439-S441 PolarHBondContact OD1-N 3.21Å; D439-S441 PolarHBondContact OD1-OG 3.11Å; D439-G442 PolarHBondContact O-N 3.32Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 PolarHBondContact OD1-N 3.24Å | ||
| 440 | A | 45.2 | Very low | 39.9 | Very low | 117 Ų | 117 | 120 Ų | 120 | 97% | 0.967 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -2.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 441 | S | 58.9 | Low | 40.1 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -16.4 | 171.2 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | D439 D443 | D439-S441 PolarHBondContact O-N 2.89Å; D439-S441 VanDerWaalsContact O-N 3.14Å; D439-S441 WeakPolarHBondContact OD1-CA 3.21Å; D439-S441 VanDerWaalsContact OD1-CB 3.26Å; D439-S441 WeakPolarHBondContact OD1-CB 3.42Å; D439-S441 PolarHBondContact OD1-N 3.21Å; D439-S441 PolarHBondContact OD1-OG 3.11Å; S441-D443 VanDerWaalsContact C-N 3.31Å; S441-D443 PolarHBondContact OG-N 2.88Å |
| 442 | G | 45 | Very low | 40.3 | Very low | 55 Ų | 55 | 120.1 Ų | 120.1 | 57% | 0.567 | 67% | 0.671 | S | S | * | * | trans | 82.5 | 4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D439 | D439-G442 PolarHBondContact O-N 3.32Å; D439-G442 VanDerWaalsContact O-N 3.14Å; D439-G442 PolarHBondContact OD1-N 3.24Å | ||
| 443 | D | 47.7 | Very low | 40.1 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | trans | -78.5 | 154.2 | 172.7 | -153.5 | -8.7 | 0 | 0 | 0 | 111.3 | S441 | S441-D443 VanDerWaalsContact C-N 3.31Å; S441-D443 PolarHBondContact OG-N 2.88Å | ||
| 444 | V | 48.2 | Very low | 40.1 | Very low | 55 Ų | 55 | 122.4 Ų | 122.4 | 33% | 0.333 | 69% | 0.685 | S | S | . | * | B | Isolated β-bridge | trans | -103.5 | 96.6 | -173.4 | -179 | 0 | 0 | 0 | 0 | 109.5 | Y446 | V444-Y446 HydrophobicContact CB-CE2 4Å; V444-Y446 HydrophobicContact CG1-CD2 4.29Å; V444-Y446 HydrophobicContact CG1-CE1 4.2Å; V444-Y446 HydrophobicContact CG1-CE2 3.79Å; V444-Y446 WeakPolarHBondContact O-CD2 3.48Å; V444-Y446 WeakPolarHBondContact O-CE2 3.39Å; V444-Y446 PolarHBondContact O-N 3.16Å |
| 445 | D | 46.7 | Very low | 40.2 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 35% | 0.348 | 68% | 0.684 | S | S | . | * | trans | -76.8 | 92.6 | -176.4 | -167.5 | 33.9 | 0 | 0 | 0 | 113 | R447 | D445-R447 PolarHBondContact O-N 3.22Å; D445-R447 IonicContact OD1-CZ 3.37Å; D445-R447 IonicContact OD1-NE 3.74Å; D445-R447 PolarHBondContact OD1-NE 3.16Å; D445-R447 IonicContact OD1-NH2 3.18Å; D445-R447 PolarHBondContact OD1-NH2 3.47Å; D445-R447 IonicContact OD2-NE 2.69Å | ||
| 446 | Y | 43.5 | Very low | 40.2 | Very low | 206 Ų | 206 | 121.4 Ų | 121.4 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 5 | 176.7 | -65.3 | -85.5 | 0 | 0 | 0 | 114.8 | V444 | V444-Y446 HydrophobicContact CB-CE2 4Å; V444-Y446 HydrophobicContact CG1-CD2 4.29Å; V444-Y446 HydrophobicContact CG1-CE1 4.2Å; V444-Y446 HydrophobicContact CG1-CE2 3.79Å; V444-Y446 WeakPolarHBondContact O-CD2 3.48Å; V444-Y446 WeakPolarHBondContact O-CE2 3.39Å; V444-Y446 PolarHBondContact O-N 3.16Å |
| 447 | R | 44.5 | Very low | 39.9 | Very low | 216 Ų | 216 | 121.6 Ų | 121.6 | 82% | 0.815 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 3.7 | -173.9 | -72.2 | 175.8 | -70.6 | -157 | -10 | 115.2 | D445 | D445-R447 PolarHBondContact O-N 3.22Å; D445-R447 IonicContact OD1-CZ 3.37Å; D445-R447 IonicContact OD1-NE 3.74Å; D445-R447 PolarHBondContact OD1-NE 3.16Å; D445-R447 IonicContact OD1-NH2 3.18Å; D445-R447 PolarHBondContact OD1-NH2 3.47Å; D445-R447 IonicContact OD2-NE 2.69Å |
| 448 | V | 37.2 | Very low | 39.3 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | -88.1 | 151.1 | 176.5 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 449 | L | 31.7 | Very low | 39 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | S | Bend | trans | 87.3 | 49.8 | 173.1 | -51.2 | 176.8 | 0 | 0 | 0 | 118.9 | F434 | F434-L449 HydrophobicContact CD1-CD1 3.62Å; F434-L449 HydrophobicContact CE1-CD1 3.45Å; F434-L449 VanDerWaalsContact CE1-CD1 3.45Å; F434-L449 HydrophobicContact CZ-CD1 4.27Å |
| 450 | L | 32.1 | Very low | 38.1 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 92% | 0.921 | 72% | 0.721 | S | S | * | * | trans | -144.7 | 53.8 | 154.1 | -118.3 | 179.4 | 0 | 0 | 0 | 114.1 | ||||
| 451 | N | 34.4 | Very low | 37.6 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | trans | -134.6 | 113.5 | 175.7 | -118.5 | -26.1 | 0 | 0 | 0 | 111.5 | T453 | N451-T453 PolarHBondContact O-N 3.43Š| ||
| 452 | A | 35.9 | Very low | 36.3 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -90.1 | 93.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L454 | A452-L454 PolarHBondContact O-N 3.14Š| ||
| 453 | T | 30.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 85% | 0.847 | 74% | 0.735 | S | S | * | * | trans | -63.8 | 121.8 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | N451 | N451-T453 PolarHBondContact O-N 3.43Š| ||
| 454 | L | 34 | Very low | 35.5 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -133 | 121.4 | 170.8 | -134.7 | 153.6 | 0 | 0 | 0 | 107.9 | A452 K456 | A452-L454 PolarHBondContact O-N 3.14Å; L454-K456 PolarHBondContact O-N 3.4Å | ||
| 455 | P | 31.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -68.9 | 126.3 | -167.8 | 25.6 | -34.9 | 0 | 0 | 0 | 112.1 | S457 | P455-S457 PolarHBondContact O-N 3.38Å; P455-S457 VanDerWaalsContact O-N 3.09Å | ||
| 456 | K | 33.4 | Very low | 34.3 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 98.9 | 168.2 | -72.2 | -178 | 179.3 | 176.3 | 0 | 109.2 | L454 V458 | L454-K456 PolarHBondContact O-N 3.4Å; K456-V458 PolarHBondContact O-N 3.28Å | ||
| 457 | S | 31.2 | Very low | 33.9 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -62.8 | 121.8 | 165.4 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | P455 K459 | P455-S457 PolarHBondContact O-N 3.38Å; P455-S457 VanDerWaalsContact O-N 3.09Å; S457-K459 PolarHBondContact O-N 3.44Å | ||
| 458 | V | 28.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -63.3 | 129.2 | 167.3 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | K456 | K456-V458 PolarHBondContact O-N 3.28Š| ||
| 459 | K | 32.8 | Very low | 33.1 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -131.6 | 133.4 | 155.6 | -79.9 | -156.8 | 168.3 | -161.2 | 0 | 108.2 | S457 | S457-K459 PolarHBondContact O-N 3.44Š| ||
| 460 | T | 28 | Very low | 33.1 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 141 | 172.4 | 13.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 461 | D | 34.4 | Very low | 33 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -116.5 | 108.3 | 154.5 | -67 | -47.5 | 0 | 0 | 0 | 105.5 | ||||
| 462 | D | 30.8 | Very low | 32.9 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -111.4 | 133.2 | 174.8 | -75.9 | -69.4 | 0 | 0 | 0 | 108.5 | ||||
| 463 | D | 37.9 | Very low | 32.7 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -160.9 | 154.9 | 162.2 | -106.8 | -31.1 | 0 | 0 | 0 | 113.1 | ||||
| 464 | D | 38.6 | Very low | 32.7 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 61.3 | 49.5 | 161.5 | -70.3 | -20.1 | 0 | 0 | 0 | 122 | ||||
| 465 | N | 34.5 | Very low | 32.8 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | 0.3 | 132.1 | 125 | -170 | 3.5 | 0 | 0 | 0 | 119.9 | |||||
| 466 | N | 34.8 | Very low | 32.7 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -157.3 | 108.7 | 150.5 | -140.3 | -21.1 | 0 | 0 | 0 | 117.7 | ||||
| 467 | N | 35.4 | Very low | 32.6 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | trans | 60 | 111.9 | 144.9 | -78.5 | -31.5 | 0 | 0 | 0 | 125 | ||||
| 468 | N | 33.5 | Very low | 32.6 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | 58.8 | 136.2 | 123.4 | -56.3 | -30 | 0 | 0 | 0 | 121.3 | |||||
| 469 | S | 32.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | cis | -170.5 | 151.6 | 49.5 | -48.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 470 | R | 30.4 | Very low | 32.5 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | 74.4 | 140.1 | 140.1 | -152.2 | 166.5 | -175.8 | 174.3 | 0.3 | 118.4 | ||||
| 471 | S | 31.9 | Very low | 32.5 | Very low | 69 Ų | 69 | 141 Ų | 141 | 48% | 0.483 | 74% | 0.744 | S | S | . | * | cis | -159 | 151.7 | 1.7 | -119.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 472 | E | 31.7 | Very low | 32.6 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 52.4 | 149 | 138.8 | -64.6 | 157.1 | 129.5 | 0 | 0 | 121.4 | ||||
| 473 | M | 30.2 | Very low | 32.5 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | cis | -156.6 | 152.2 | 0.8 | -128.7 | 167.5 | 67 | 0 | 0 | 115.2 | ||||
| 474 | I | 31.9 | Very low | 32 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -67.7 | -173.9 | 172.6 | 5.8 | 174.2 | 0 | 0 | 0 | 114.4 | ||||
| 475 | P | 35.4 | Very low | 31.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | cis | -132.1 | -150.3 | -11.9 | 27.4 | 0.6 | 0 | 0 | 0 | 112.7 | ||||
| 476 | T | 29.6 | Very low | 31.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | cis | -165.4 | 159.5 | 7.6 | -19.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 477 | S | 32 | Very low | 31.2 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | 68.5 | 149.5 | 141 | 70.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 478 | K | 29.4 | Very low | 30.9 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | cis | -168.8 | 160.9 | -24.3 | -114.1 | -173.2 | 170.6 | -168.7 | 0 | 112.5 | ||||
| 479 | L | 29.3 | Very low | 30.7 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | 103.5 | 124.1 | 138.6 | -127.4 | 76.7 | 0 | 0 | 0 | 124.3 | ||||
| 480 | Q | 30.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 64% | 0.64 | 71% | 0.712 | S | S | * | * | trans | 57.8 | 106.7 | 143.5 | -100.5 | 53.8 | 90.9 | 0 | 0 | 124 | ||||
| 481 | D | 28 | Very low | 30.6 | Very low | 131 Ų | 131 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | 40.1 | 160.7 | 95.5 | -56 | -42.8 | 0 | 0 | 0 | 122.4 | |||||
| 482 | P | 37 | Very low | 30.4 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | -145.5 | -162 | -58.6 | 42.5 | -22.5 | 0 | 0 | 0 | 114 | |||||
| 483 | T | 27.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | 77 | 147.5 | 147.7 | 48 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 484 | V | 27.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | 105 | 107.5 | 131.4 | 140.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 485 | I | 28.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 64% | 0.641 | 71% | 0.709 | S | S | * | * | 89.9 | 113.1 | 129.5 | -77.2 | 176.8 | 0 | 0 | 0 | 124.7 | |||||
| 486 | N | 28.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | trans | 63.5 | 164.2 | 130.5 | -60 | -0.9 | 0 | 0 | 0 | 126 | ||||
| 487 | H | 34.1 | Very low | 30.4 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | 90.9 | 138.7 | 150.9 | -60 | -62.5 | 0 | 0 | 0 | 118.3 | ||||
| 488 | T | 29.5 | Very low | 30.2 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | cis | -172.4 | 158.3 | -17.9 | 16.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 489 | N | 29.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | trans | 65 | 171.8 | 152.4 | -62.9 | 2.3 | 0 | 0 | 0 | 116.8 | ||||
| 490 | S | 30.3 | Very low | 30.1 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | cis | -178.9 | 163.5 | -30.7 | -82.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 491 | S | 30.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | cis | -165.7 | -155.8 | -14.6 | 45 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 492 | E | 28.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | cis | -169.4 | -175.7 | 3.6 | -145.5 | 154.7 | 110.3 | 0 | 0 | 111.2 | ||||
| 493 | V | 31.7 | Very low | 30 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | 75.8 | 145.2 | 159 | 174 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 494 | N | 26.9 | Very low | 29.9 | Very low | 140 Ų | 140 | 130 Ų | 130 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | -140.9 | -152.4 | -173.4 | -155.1 | -0 | 0 | 0 | 0 | 106.9 | ||||
| 495 | P | 38.2 | Very low | 30.1 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | -102.6 | -148.4 | -69.9 | 35.7 | -19.8 | 0 | 0 | 0 | 111.7 | |||||
| 496 | I | 30.8 | Very low | 30.1 | Very low | 138 Ų | 138 | 135 Ų | 135 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | 144.2 | 117.2 | 136.1 | -73.8 | 156.5 | 0 | 0 | 0 | 114.8 | ||||
| 497 | N | 30.5 | Very low | 30.5 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 63 | 157.4 | 150.7 | -68.4 | 2 | 0 | 0 | 0 | 121.2 | ||||
| 498 | S | 29.1 | Very low | 30.3 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | cis | -168.2 | 156.4 | -16.8 | -102.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 499 | L | 26.9 | Very low | 30.3 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 57.1 | 106.5 | 139.7 | -67.1 | 168.1 | 0 | 0 | 0 | 122.2 | ||||
| 500 | S | 28.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | 115.1 | 143 | 96.4 | 74 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 501 | N | 31.3 | Very low | 30.3 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | 83.2 | 132.1 | 145 | -65.5 | -13.1 | 0 | 0 | 0 | 122.6 | ||||
| 502 | I | 30.6 | Very low | 30.2 | Very low | 143 Ų | 143 | 137 Ų | 137 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -102.2 | 162.3 | 175 | -36.2 | 173.8 | 0 | 0 | 0 | 107.2 | ||||
| 503 | P | 31.8 | Very low | 30.2 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | -137.2 | 151.8 | 111.9 | 35.7 | -25.2 | 0 | 0 | 0 | 114.3 | |||||
| 504 | K | 27 | Very low | 30 | Very low | 189 Ų | 189 | 135 Ų | 135 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -88 | 153.6 | 168.3 | -63.4 | 176.9 | 179.3 | 177.1 | 0 | 109.9 | ||||
| 505 | M | 30.9 | Very low | 30.1 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 97% | 0.97 | 75% | 0.75 | S | S | * | * | trans | -134.2 | 158.8 | 154.3 | -103.9 | -176.1 | 147.3 | 0 | 0 | 110.7 | ||||
| 506 | N | 28.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | trans | -98.2 | 161.2 | -164.3 | -113.4 | 9.7 | 0 | 0 | 0 | 113.1 | ||||
| 507 | P | 37.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | trans | -85.7 | 165.8 | 173.2 | 37.3 | -35.8 | 0 | 0 | 0 | 112.2 | ||||
| 508 | H | 29.5 | Very low | 29.6 | Very low | 167 Ų | 167 | 131 Ų | 131 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -162.7 | 154.2 | 154.1 | -117 | -85.1 | 0 | 0 | 0 | 113.8 | ||||
| 509 | D | 30 | Very low | 29.7 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 76.1 | 146.5 | 152.5 | -59.8 | -24.2 | 0 | 0 | 0 | 125.1 | ||||
| 510 | S | 32 | Very low | 29.9 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 57.8 | 113.3 | 171.7 | 51.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 511 | S | 25.7 | Very low | 29.9 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | cis | 88.2 | 160.2 | 23.5 | 99.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 512 | V | 29.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | 75.5 | 106.3 | -162.5 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 513 | V | 27.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | 93.4 | 130.5 | 25.9 | -175.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 514 | V | 28.4 | Very low | 29.6 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | 140.4 | 96.3 | 161.9 | 164.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 515 | N | 28.3 | Very low | 29.6 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 49% | 0.487 | 77% | 0.766 | S | S | . | * | 65.9 | 119.2 | 56.3 | -151.6 | 17.7 | 0 | 0 | 0 | 109.8 | N517 | N515-N517 PolarHBondContact OD1-ND2 3.2Š| |||
| 516 | T | 31.4 | Very low | 29.6 | Very low | 97 Ų | 97 | 138 Ų | 138 | 60% | 0.595 | 76% | 0.755 | S | S | * | * | 170.3 | 165.7 | 78.6 | 41.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 517 | N | 28.3 | Very low | 29.6 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 57% | 0.572 | 76% | 0.763 | S | S | * | * | cis | -172.8 | 168.7 | -33 | -105.4 | -18.4 | 0 | 0 | 0 | 111.1 | N515 | N515-N517 PolarHBondContact OD1-ND2 3.2Š| ||
| 518 | N | 30.2 | Very low | 29.2 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | trans | 70 | 116.8 | 143.8 | -70 | -4.7 | 0 | 0 | 0 | 123.6 | ||||
| 519 | Y | 30 | Very low | 29 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | trans | -54.1 | 172.3 | 140.9 | -75.3 | -104 | 0 | 0 | 0 | 112.7 | ||||
| 520 | P | 31.8 | Very low | 28.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -140.8 | 154.5 | 114.3 | 37.8 | -26.9 | 0 | 0 | 0 | 117.1 | |||||
| 521 | H | 28.7 | Very low | 28.6 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | -1.8 | 140.7 | 152.1 | -60.6 | -98.9 | 0 | 0 | 0 | 120.4 | ||||
| 522 | K | 31.7 | Very low | 28.6 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | -161.2 | 146.3 | 101.4 | -106.1 | 163.7 | -175 | 174.8 | 0 | 113.7 | |||||
| 523 | F | 26.8 | Very low | 28.4 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | trans | -65.7 | 145.6 | 161.4 | -92.9 | -122.1 | 0 | 0 | 0 | 109.3 | ||||
| 524 | N | 29.3 | Very low | 28.2 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -154.6 | 144 | 136.6 | -128.1 | -14.6 | 0 | 0 | 0 | 112.4 | ||||
| 525 | S | 27.4 | Very low | 28.1 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -93.4 | 123 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 526 | S | 29.1 | Very low | 28 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | 176.2 | 93.5 | 155.4 | -83.7 | 0 | 0 | 0 | 0 | 110.7 | K528 | S526-K528 PolarHBondContact O-N 2.91Š| ||
| 527 | H | 29.4 | Very low | 27.7 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 99% | 0.991 | 75% | 0.746 | S | S | * | * | trans | -77.9 | 87.5 | 166.4 | -86.3 | -79.9 | 0 | 0 | 0 | 109.8 | ||||
| 528 | K | 27.9 | Very low | 27.6 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | -151 | 134.9 | 179 | -168.6 | 175 | -174.2 | 177 | 0 | 109.9 | S526 | S526-K528 PolarHBondContact O-N 2.91Š| ||
| 529 | T | 26.3 | Very low | 27.5 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 68.5 | 140.1 | -167.2 | -12.6 | 0 | 0 | 0 | 0 | 109.8 | Y531 | T529-Y531 WeakPolarHBondContact CG2-O 3.33Š| ||
| 530 | V | 27.1 | Very low | 27.3 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | cis | -146 | 141.5 | 40.3 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | S532 | V530-S532 VanDerWaalsContact CG1-CB 3.43Š| ||
| 531 | Y | 25.3 | Very low | 27.2 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | cis | 41 | 86.1 | -1.3 | -86.3 | -82.1 | 0 | 0 | 0 | 118.5 | T529 | T529-Y531 WeakPolarHBondContact CG2-O 3.33Š| ||
| 532 | S | 26.8 | Very low | 27.1 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 46% | 0.462 | 72% | 0.715 | S | S | . | * | trans | -159.7 | 132.5 | 158.3 | 174.4 | 0 | 0 | 0 | 0 | 106.1 | V530 Y534 | V530-S532 VanDerWaalsContact CG1-CB 3.43Å; S532-Y534 WeakPolarHBondContact OG-CA 3.23Å; S532-Y534 PolarHBondContact OG-N 3.37Å; S532-Y534 PolarHBondContact OG-O 2.81Å | ||
| 533 | T | 24 | Very low | 27 | Very low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 71% | 0.713 | S | S | * | * | cis | 50.1 | 66.3 | -5.3 | 64 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 534 | Y | 24.9 | Very low | 27 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | trans | 159 | 98.6 | 161.9 | -80.2 | -50.8 | 0 | 0 | 0 | 106.5 | S532 R536 | S532-Y534 WeakPolarHBondContact OG-CA 3.23Å; S532-Y534 PolarHBondContact OG-N 3.37Å; S532-Y534 PolarHBondContact OG-O 2.81Å; Y534-R536 HydrophobicContact CD1-CB 3.53Å; Y534-R536 HydrophobicContact CE1-CB 3.65Å; Y534-R536 HydrophobicContact CE1-CG 4.49Å | ||
| 535 | T | 25.1 | Very low | 27.2 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | -106.2 | 92.8 | 75.7 | 38 | 0 | 0 | 0 | 0 | 114.7 | S537 | T535-S537 PolarHBondContact O-N 3.14Å; T535-S537 VanDerWaalsContact O-N 3.12Å | |||
| 536 | R | 25.6 | Very low | 27.2 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 58% | 0.581 | 69% | 0.691 | S | S | * | * | trans | -75.4 | 91.6 | 158.4 | -179.8 | -171.3 | 173 | -171 | -7.1 | 108 | Y534 N538 | Y534-R536 HydrophobicContact CD1-CB 3.53Å; Y534-R536 HydrophobicContact CE1-CB 3.65Å; Y534-R536 HydrophobicContact CE1-CG 4.49Å; R536-N538 VanDerWaalsContact C-N 3.28Å; R536-N538 HydrophobicContact CG-CB 4.09Å; R536-N538 WeakPolarHBondContact CG-OD1 3.47Å; R536-N538 PolarHBondContact NE-OD1 3.32Å; R536-N538 PolarHBondContact NH2-ND2 2.9Å; R536-N538 PolarHBondContact O-N 3.2Å | ||
| 537 | S | 25.3 | Very low | 27.2 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | trans | -86.8 | 72.1 | 156.8 | -61.2 | 0 | 0 | 0 | 0 | 107.5 | T535 | T535-S537 PolarHBondContact O-N 3.14Å; T535-S537 VanDerWaalsContact O-N 3.12Å | ||
| 538 | N | 27.1 | Very low | 27.3 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 39% | 0.39 | 67% | 0.67 | S | S | . | * | -36.6 | 74.6 | 92.3 | -69.3 | 61.1 | 0 | 0 | 0 | 116.1 | R536 Q540 | R536-N538 VanDerWaalsContact C-N 3.28Å; R536-N538 HydrophobicContact CG-CB 4.09Å; R536-N538 WeakPolarHBondContact CG-OD1 3.47Å; R536-N538 PolarHBondContact NE-OD1 3.32Å; R536-N538 PolarHBondContact NH2-ND2 2.9Å; R536-N538 PolarHBondContact O-N 3.2Å; N538-Q540 HydrophobicContact CB-CB 4.13Å; N538-Q540 PolarHBondContact ND2-OE1 3.41Å | |||
| 539 | N | 27 | Very low | 27.5 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | -99.6 | 123.1 | 108.8 | -63.3 | -41.9 | 0 | 0 | 0 | 104.1 | N541 | N539-N541 VanDerWaalsContact C-N 3.32Š| |||
| 540 | Q | 26.8 | Very low | 27.9 | Very low | 130 Ų | 130 | 125 Ų | 125 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | cis | 62 | 27.6 | 9.3 | -143.1 | 162 | 4.3 | 0 | 0 | 115.7 | N538 | N538-Q540 HydrophobicContact CB-CB 4.13Å; N538-Q540 PolarHBondContact ND2-OE1 3.41Å | ||
| 541 | N | 29.1 | Very low | 28 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | -97.9 | 117.9 | 122.7 | -61.7 | -52.8 | 0 | 0 | 0 | 104.3 | N539 | N539-N541 VanDerWaalsContact C-N 3.32Š| |||
| 542 | N | 26.8 | Very low | 28.3 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 69% | 0.69 | 64% | 0.643 | S | S | * | * | cis | 60.7 | 59.2 | 25.8 | -115.4 | 81.2 | 0 | 0 | 0 | 112.3 | ||||
| 543 | K | 30.8 | Very low | 28.4 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 85% | 0.852 | 66% | 0.655 | S | S | * | * | trans | -136.8 | 105.8 | 148.3 | -78.1 | -153.6 | 172.4 | -167.2 | 0 | 110.4 | ||||
| 544 | D | 25.6 | Very low | 28.8 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 66% | 0.658 | S | S | * | * | trans | -46.3 | 150.6 | 145.6 | -44.9 | -89.7 | 0 | 0 | 0 | 109.4 | V546 | D544-V546 HydrophobicContact CB-CG2 4.15Š| ||
| 545 | P | 33.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | -132.8 | 153.3 | 54.5 | 45.7 | -31.8 | 0 | 0 | 0 | 112.7 | |||||
| 546 | V | 26.8 | Very low | 29.7 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | cis | 65.5 | 111 | 41 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | D544 | D544-V546 HydrophobicContact CB-CG2 4.15Š| ||
| 547 | N | 29.2 | Very low | 30.2 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 69% | 0.69 | 65% | 0.652 | S | S | * | * | trans | 67.1 | 157.4 | 166.1 | -77.4 | 29.4 | 0 | 0 | 0 | 116.5 | ||||
| 548 | D | 31.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 60% | 0.599 | 66% | 0.655 | S | S | * | * | cis | -152.1 | 162 | 5.5 | -127.3 | -24.5 | 0 | 0 | 0 | 117.1 | ||||
| 549 | H | 33.8 | Very low | 31.1 | Very low | 123 Ų | 123 | 135 Ų | 135 | 57% | 0.569 | 67% | 0.668 | S | S | * | * | trans | 56 | 122.1 | 145.2 | -85.7 | 49.1 | 0 | 0 | 0 | 123.6 | ||||
| 550 | H | 33.5 | Very low | 31.6 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 49% | 0.486 | 67% | 0.665 | S | S | . | * | 74.8 | 157.7 | 120.1 | -74.5 | 29.4 | 0 | 0 | 0 | 120.6 | |||||
| 551 | Q | 29.8 | Very low | 32 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | cis | -166.3 | 170.9 | -25.2 | -113.9 | -164.6 | 50.4 | 0 | 0 | 108.1 | ||||
| 552 | Q | 30.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | trans | 70.4 | 150.4 | 152.7 | -75.4 | 165.9 | 31.8 | 0 | 0 | 120.1 | ||||
| 553 | Y | 29.6 | Very low | 32.6 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | cis | -173.2 | 178.1 | -27 | -138.4 | -103.1 | 0 | 0 | 0 | 109.1 | ||||
| 554 | Y | 32.6 | Very low | 32.8 | Very low | 189 Ų | 189 | 132.5 Ų | 132.5 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | trans | 74.1 | 117 | 170.3 | -63.1 | -73.3 | 0 | 0 | 0 | 117.9 | ||||
| 555 | H | 35.2 | Very low | 33.1 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 71% | 0.708 | 67% | 0.669 | S | S | * | * | 78.4 | 146.2 | 76.7 | -87.1 | -88.5 | 0 | 0 | 0 | 113.5 | |||||
| 556 | D | 33 | Very low | 33 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 56% | 0.561 | 66% | 0.663 | S | S | * | * | cis | -161.9 | 168.4 | 17.1 | -150.9 | 12.1 | 0 | 0 | 0 | 114.6 | ||||
| 557 | K | 35.7 | Very low | 33.1 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | trans | 66.3 | 147.6 | 159.5 | -60.9 | 175.8 | 177 | 67.9 | 0 | 119.7 | ||||
| 558 | T | 35.2 | Very low | 33.4 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 76% | 0.761 | 66% | 0.664 | S | S | * | * | cis | -167.5 | -168.6 | -19.6 | 35 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 559 | I | 37.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 132 Ų | 132 | 65% | 0.651 | 67% | 0.667 | S | S | * | * | cis | -160.8 | 150.4 | 10.3 | -146.8 | 176.4 | 0 | 0 | 0 | 111.3 | ||||
| 560 | N | 36.2 | Very low | 33.7 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | trans | 47.8 | 150.7 | 153.8 | -64.1 | -20.7 | 0 | 0 | 0 | 122.4 | ||||
| 561 | K | 36.5 | Very low | 33.8 | Very low | 162 Ų | 162 | 137 Ų | 137 | 70% | 0.704 | 69% | 0.691 | S | S | * | * | cis | -161.9 | 136 | -7.6 | -109 | 168.6 | -178.2 | -174 | 0 | 107.1 | ||||
| 562 | T | 34 | Very low | 34.2 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | 70.8 | 130.1 | 84.9 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 563 | S | 35.2 | Very low | 34.4 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | cis | -167.3 | 159.3 | 25.2 | 22.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 564 | H | 33 | Very low | 34.8 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | 45.5 | 150.3 | 138.3 | -61.5 | -55.6 | 0 | 0 | 0 | 121.4 | ||||
| 565 | T | 32.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | cis | -152.9 | 161 | 1.6 | 10.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 566 | A | 30.8 | Very low | 35 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | 50.7 | 145.4 | 72.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 567 | I | 30.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | cis | -168.3 | 177 | 18.7 | -148 | 177.4 | 0 | 0 | 0 | 109.7 | ||||
| 568 | D | 35.2 | Very low | 35.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 61.2 | 160.4 | 157.6 | -54.9 | -7.2 | 0 | 0 | 0 | 119.3 | ||||
| 569 | D | 33.8 | Very low | 35.5 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | cis | -165.9 | 178.8 | -28 | -102.3 | -28.3 | 0 | 0 | 0 | 111.1 | ||||
| 570 | E | 37.4 | Very low | 35.6 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 59.2 | 120 | 149.3 | -75.7 | 166.3 | 176.5 | 0 | 0 | 119.6 | ||||
| 571 | E | 35.1 | Very low | 35.6 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | 77.9 | 106.8 | 74.4 | -73.2 | -160.5 | 168.1 | 0 | 0 | 115.3 | |||||
| 572 | D | 39.5 | Very low | 35.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | 175.9 | 131.5 | 138.3 | -97.2 | -26.1 | 0 | 0 | 0 | 107.8 | ||||
| 573 | N | 35.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | 64.1 | 133.7 | 69.8 | -61.9 | -47.3 | 0 | 0 | 0 | 112.5 | |||||
| 574 | M | 36.7 | Very low | 35.7 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 70% | 0.704 | 72% | 0.715 | S | S | * | * | cis | -163.2 | 162.3 | 9.4 | -121.9 | 164 | 176 | 0 | 0 | 111 | ||||
| 575 | E | 34.9 | Very low | 35.7 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | 47.6 | 151.4 | 145.2 | -69.9 | 175.6 | 156.2 | 0 | 0 | 121.6 | ||||
| 576 | V | 37.3 | Very low | 35.8 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | cis | -146.5 | -177.3 | 1.2 | -114.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 577 | S | 38.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | cis | -145.3 | 160.1 | 15.1 | -104.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 578 | D | 38.8 | Very low | 35.9 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 59.2 | 124.6 | 71.7 | -35.1 | -51.9 | 0 | 0 | 0 | 114.8 | |||||
| 579 | G | 36.8 | Very low | 35.7 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | cis | -160.7 | -174.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 580 | E | 38.5 | Very low | 35.7 | Very low | 203 Ų | 203 | 136.8 Ų | 136.8 | 95% | 0.949 | 73% | 0.725 | S | S | * | * | cis | -140.8 | 174.5 | 6.6 | -70.3 | -176.8 | 104.2 | 0 | 0 | 111.7 | ||||
| 581 | E | 36.9 | Very low | 35.4 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | -90.4 | -156 | -176.3 | -129.1 | -149.6 | 126.9 | 0 | 0 | 111.2 | ||||
| 582 | P | 40.4 | Very low | 35.1 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | cis | -136.3 | 176.8 | -11.9 | 31.6 | -9.7 | 0 | 0 | 0 | 116.9 | ||||
| 583 | S | 32.6 | Very low | 34.8 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | 70.6 | 145.6 | 140 | 67.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 584 | D | 35.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 55% | 0.551 | 72% | 0.716 | S | S | * | * | cis | -152.7 | 143.1 | -7.8 | -123.2 | 11.2 | 0 | 0 | 0 | 113.8 | ||||
| 585 | R | 32.8 | Very low | 34.2 | Very low | 196 Ų | 196 | 135 Ų | 135 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | 37.3 | 144.2 | 126.6 | -62.6 | 176.7 | -168.8 | 123 | 1.1 | 120.5 | |||||
| 586 | T | 33.7 | Very low | 33.9 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | cis | -155.1 | 145.7 | 7.7 | -3.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 587 | N | 29.7 | Very low | 33.5 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | -28.5 | 148 | 156.2 | -47.3 | -23 | 0 | 0 | 0 | 117.9 | ||||
| 588 | E | 35.1 | Very low | 33.1 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | 174.9 | 141.7 | 123.2 | -81.8 | -117 | -144.1 | 0 | 0 | 108.2 | |||||
| 589 | N | 31 | Very low | 32.6 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | cis | -169 | 174.1 | -23.9 | -143.1 | -26.2 | 0 | 0 | 0 | 109 | ||||
| 590 | I | 32.8 | Very low | 32.2 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | 63.7 | 104.1 | 158.6 | -64.9 | 164.1 | 0 | 0 | 0 | 115.3 | ||||
| 591 | L | 31.1 | Very low | 31.7 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | 67.3 | 134.1 | 90.6 | -93.4 | 77.3 | 0 | 0 | 0 | 114.4 | |||||
| 592 | D | 29.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 54% | 0.54 | 75% | 0.745 | S | S | . | * | cis | -163.2 | 167.9 | 6.5 | -146.5 | -18.4 | 0 | 0 | 0 | 114.2 | ||||
| 593 | K | 32.9 | Very low | 30.9 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 57.5 | 96.5 | 154.6 | -76.6 | 140.9 | -169.6 | 151.4 | 0 | 121.2 | ||||
| 594 | N | 28.2 | Very low | 30.6 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | 51.7 | 103.3 | 111.7 | -58.9 | -8.1 | 0 | 0 | 0 | 120.5 | |||||
| 595 | V | 30.6 | Very low | 30.3 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | -129.3 | 132.3 | 122.3 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 596 | N | 28.7 | Very low | 30.4 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -107.1 | 162.7 | -178.3 | -130.6 | 18.2 | 0 | 0 | 0 | 110 | ||||
| 597 | P | 30.4 | Very low | 30.2 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -116.6 | 125.2 | -141.3 | 37.7 | -27.3 | 0 | 0 | 0 | 114.3 | ||||
| 598 | N | 28.6 | Very low | 30.3 | Very low | 166 Ų | 166 | 146 Ų | 146 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -139.8 | 37.3 | 179.8 | -94.9 | -19.2 | 0 | 0 | 0 | 114.3 | Q600 | N598-Q600 PolarHBondContact O-N 3Š| ||
| 599 | D | 28.3 | Very low | 30.4 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 53.6 | 172.2 | -81.8 | -46.1 | 0 | 0 | 0 | 112.8 | ||||
| 600 | Q | 30.1 | Very low | 30.6 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -157.7 | 46.7 | 176 | -138.8 | 151.9 | 84.8 | 0 | 0 | 117.3 | N598 | N598-Q600 PolarHBondContact O-N 3Š|
| 601 | S | 28 | Very low | 30.5 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -172.8 | 91.1 | 149.8 | 31.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 602 | D | 29.8 | Very low | 30.6 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -156.3 | 100.6 | 159.2 | -122.3 | -32.4 | 0 | 0 | 0 | 113.5 | ||||
| 603 | I | 29.3 | Very low | 30.9 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -140.3 | 64 | 167.7 | -49.8 | -179.6 | 0 | 0 | 0 | 108.4 | ||||
| 604 | C | 27.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 156.4 Ų | 156.4 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | -146.7 | 47.7 | 178 | -149.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 605 | S | 29.2 | Very low | 31 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -162.2 | 84.5 | 162.9 | -86.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 606 | Q | 33.7 | Very low | 30.9 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -147.6 | 33.5 | 167 | -160 | 68.1 | 117.8 | 0 | 0 | 113.8 | D608 | Q606-D608 PolarHBondContact O-N 3.23Š| ||
| 607 | Q | 29 | Very low | 30.9 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 77.2 | 169.4 | -74.3 | -175.5 | -41.1 | 0 | 0 | 111.1 | ||||
| 608 | D | 33.5 | Very low | 31.1 | Very low | 143 Ų | 143 | 158.1 Ų | 158.1 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -164.9 | 43.8 | 164.7 | -130.6 | -11 | 0 | 0 | 0 | 116.7 | Q606 | Q606-D608 PolarHBondContact O-N 3.23Š|
| 609 | K | 36.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | trans | -135.1 | -16.6 | -177.1 | -70.7 | -175.7 | 178.7 | 162.9 | 0 | 118.7 | W611 | K609-W611 PolarHBondContact O-N 3.36Š| ||
| 610 | D | 34.9 | Very low | 31.1 | Very low | 152 Ų | 152 | 152.5 Ų | 152.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -95.1 | 26 | -164.4 | -65.1 | -22.5 | 0 | 0 | 0 | 116.4 | R612 | D610-R612 PolarHBondContact O-N 3.32Š| ||
| 611 | W | 30.5 | Very low | 31.2 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 24.7 | -173.8 | 62.1 | -90.7 | 0 | 0 | 0 | 116.2 | K609 | K609-W611 PolarHBondContact O-N 3.36Š|
| 612 | R | 34.2 | Very low | 31.5 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 6.8 | -166.4 | -72.9 | -166.6 | 173.5 | -162.1 | 0.2 | 118 | D610 | D610-R612 PolarHBondContact O-N 3.32Š|
| 613 | I | 34.4 | Very low | 31.6 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -93.6 | -13.8 | -170.6 | -62.6 | 178.8 | 0 | 0 | 0 | 114 | ||
| 614 | F | 30.4 | Very low | 31.9 | Very low | 210 Ų | 210 | 151.4 Ų | 151.4 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 11.9 | -176 | -96.2 | -80.3 | 0 | 0 | 0 | 116.5 | ||
| 615 | T | 32.6 | Very low | 32.1 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 12 | -177.5 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | V617 | T615-V617 PolarHBondContact O-N 3.4Š|
| 616 | E | 29.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 153.5 Ų | 153.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -100.3 | 41.8 | -171.3 | -160.1 | 148.7 | -120.3 | 0 | 0 | 115 | K618 | E616-K618 PolarHBondContact O-N 3.32Š| ||
| 617 | V | 29.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -92.6 | 63.3 | 156.8 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | T615 | T615-V617 PolarHBondContact O-N 3.4Š| ||
| 618 | K | 33.4 | Very low | 31.9 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -92.6 | 106.1 | -176.9 | -160.8 | 170.2 | -170.6 | 171.2 | 0 | 109.5 | E616 N620 | E616-K618 PolarHBondContact O-N 3.32Å; K618-N620 PolarHBondContact O-N 3.41Å; K618-N620 VanDerWaalsContact O-N 3.14Å | ||
| 619 | C | 28.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 150 Ų | 150 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | -59.3 | 117.5 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | I621 | C619-I621 VanDerWaalsContact C-N 3.31Å; C619-I621 PolarHBondContact O-N 3.33Å | ||
| 620 | N | 28.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 60% | 0.604 | 78% | 0.776 | S | S | * | * | trans | -72 | 81.1 | 179.1 | -85.6 | -14 | 0 | 0 | 0 | 111.5 | T410 K618 M622 | T410-N620 PolarHBondContact OG1-ND2 3Å; K618-N620 PolarHBondContact O-N 3.41Å; K618-N620 VanDerWaalsContact O-N 3.14Å; N620-M622 PolarHBondContact O-N 3.22Å | ||
| 621 | I | 32.1 | Very low | 30.9 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | -73.4 | 104.9 | 165.2 | -61.2 | -179.8 | 0 | 0 | 0 | 107.9 | C619 K623 | C619-I621 VanDerWaalsContact C-N 3.31Å; C619-I621 PolarHBondContact O-N 3.33Å; I621-K623 PolarHBondContact O-N 3.14Å | ||
| 622 | M | 32.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 118.9 | -174.2 | -169 | 157.9 | 68.1 | 0 | 0 | 111.3 | N620 | N620-M622 PolarHBondContact O-N 3.22Š|
| 623 | K | 33.2 | Very low | 30.9 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 133.1 | 175.4 | -68.7 | -175 | 177.5 | -176.7 | 0 | 110.5 | I621 V625 | I621-K623 PolarHBondContact O-N 3.14Å; K623-V625 PolarHBondContact O-N 3.19Å |
| 624 | P | 34.4 | Very low | 30.6 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126 | 170.8 | 29.8 | -32.6 | 0 | 0 | 0 | 110.4 | ||
| 625 | V | 32.1 | Very low | 30.7 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -94.5 | 108.3 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 108 | K623 | K623-V625 PolarHBondContact O-N 3.19Š| ||
| 626 | N | 32.3 | Very low | 30.6 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -76.7 | 122.8 | 174.1 | -77 | -13.8 | 0 | 0 | 0 | 110.2 | L628 | N626-L628 PolarHBondContact O-N 3.35Š| ||
| 627 | C | 24.2 | Very low | 31 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -76.8 | 116.5 | 174.2 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 628 | L | 30.4 | Very low | 31.1 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | trans | -134.3 | 104.3 | 167.3 | -79.1 | 176.5 | 0 | 0 | 0 | 111.7 | N626 | N626-L628 PolarHBondContact O-N 3.35Š| ||
| 629 | T | 26.9 | Very low | 31 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 14.6 | 116.1 | 143 | 55 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 630 | G | 29.5 | Very low | 31.6 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | -157 | 85.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 631 | T | 29.7 | Very low | 31.7 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -41.3 | 139.7 | 178.5 | 46.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 632 | V | 29.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -80.9 | 142.5 | 170.2 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 633 | P | 35 | Very low | 31.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -106.7 | 109.7 | 158.5 | 34 | -23.2 | 0 | 0 | 0 | 111.5 | ||||
| 634 | D | 28.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -68.2 | 142.8 | 167.1 | -74.4 | -60.9 | 0 | 0 | 0 | 111.2 | ||||
| 635 | N | 32.4 | Very low | 32.3 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -159.6 | 114.3 | 157.6 | -97.4 | -57.1 | 0 | 0 | 0 | 110.6 | ||||
| 636 | N | 29.3 | Very low | 32.5 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -129.1 | 120.2 | 177.4 | 177.4 | 19.1 | 0 | 0 | 0 | 110.1 | T638 | N636-T638 PolarHBondContact O-N 3.26Š| ||
| 637 | P | 38.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -89.6 | 102.3 | 177.2 | 33.3 | -31 | 0 | 0 | 0 | 112.8 | ||||
| 638 | T | 32.7 | Very low | 33.1 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | -61.8 | 142.6 | 170.5 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | N636 | N636-T638 PolarHBondContact O-N 3.26Š| ||
| 639 | N | 31.6 | Very low | 33.3 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -168.1 | 162.3 | 133.7 | -101.8 | -13 | 0 | 0 | 0 | 114.2 | ||||
| 640 | P | 41 | Very low | 33.4 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -135.8 | -169.8 | -147 | 44.5 | -26.9 | 0 | 0 | 0 | 115.5 | ||||
| 641 | T | 31.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | trans | -158 | 106.3 | 160.7 | -74.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 642 | I | 34 | Very low | 33.4 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | 70.2 | 130 | 88.5 | -69 | 165.4 | 0 | 0 | 0 | 112.2 | |||||
| 643 | S | 30.5 | Very low | 33.6 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -164 | -151.8 | -11.6 | -162.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 644 | P | 44.2 | Very low | 33.8 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | -126 | -177.3 | -108.9 | 43.7 | -27.1 | 0 | 0 | 0 | 116.4 | |||||
| 645 | N | 35.4 | Very low | 33.8 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | 153.3 | 141.6 | 148.4 | -82 | -33.7 | 0 | 0 | 0 | 109.5 | ||||
| 646 | N | 36.8 | Very low | 33.9 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | cis | -154.3 | 176.6 | -14.2 | -127.5 | -2.7 | 0 | 0 | 0 | 108.3 | ||||
| 647 | P | 38.2 | Very low | 34 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -137.8 | -165.2 | -131.7 | 42.6 | -21.8 | 0 | 0 | 0 | 116.9 | ||||
| 648 | V | 31.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 128 Ų | 128 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | 73.6 | 133.9 | 151.9 | 151.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 649 | V | 33.4 | Very low | 33.6 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | cis | -144.4 | 173.6 | 4.2 | -108.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 650 | G | 30.4 | Very low | 33.7 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | cis | 122.5 | 146.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 651 | L | 27.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | 74.1 | 145.9 | 173.6 | -45.9 | -179.7 | 0 | 0 | 0 | 116.2 | ||||
| 652 | T | 30.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | cis | -153.1 | 160.8 | 5.2 | -14.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 653 | M | 34.4 | Very low | 33.8 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -97.5 | 156.8 | 169.3 | -72.1 | -77.4 | -68.1 | 0 | 0 | 111.8 | ||||
| 654 | P | 37.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | -139.7 | 161.2 | 93.4 | 25.8 | -5.4 | 0 | 0 | 0 | 113.1 | |||||
| 655 | S | 29.9 | Very low | 34.3 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | 94.4 | 140.6 | 22.6 | 79.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 656 | E | 33.1 | Very low | 34.9 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 75.8 | 148.7 | 175.7 | -61.5 | -169.2 | 170.4 | 0 | 0 | 118 | ||||
| 657 | S | 32.7 | Very low | 35.6 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -159.9 | 172.4 | -13.5 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 658 | F | 28.2 | Very low | 35.6 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -3.9 | 146.9 | 164.8 | -70 | -102.4 | 0 | 0 | 0 | 120 | ||||
| 659 | I | 34.4 | Very low | 35.8 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | -160 | 155.2 | 71.2 | -82.4 | 170.9 | 0 | 0 | 0 | 112.2 | |||||
| 660 | Q | 32.4 | Very low | 35.9 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -81.7 | 156.3 | 180 | -148.2 | 179.8 | 12.6 | 0 | 0 | 113.2 | ||||
| 661 | P | 35.7 | Very low | 36.2 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | -152.4 | 145.5 | 102.9 | 36.7 | -18.6 | 0 | 0 | 0 | 118.2 | |||||
| 662 | T | 33.8 | Very low | 36.9 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 53 | 123 | 140.5 | -47 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 663 | L | 39.1 | Very low | 38 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 143.5 | 175.2 | -170.3 | 76.6 | 0 | 0 | 0 | 113.1 | ||
| 664 | P | 46.1 | Very low | 39.3 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69 | 148.9 | 168.2 | -19.3 | 33.2 | 0 | 0 | 0 | 113.9 | ||
| 665 | R | 39.2 | Very low | 40.4 | Very low | 230 Ų | 230 | 142.5 Ų | 142.5 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 133.1 | -175.5 | -164.9 | -170.6 | -157.6 | -179.9 | 6.8 | 111.5 | ||
| 666 | P | 48.4 | Very low | 41.6 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69 | 146.8 | 168.4 | 29.7 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 667 | P | 51 | Low | 42.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 154.7 | -175.1 | 29 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 668 | T | 38.5 | Very low | 43.9 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70 | 151 | -171.6 | -46.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 669 | S | 34.6 | Very low | 44.8 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 135.2 | 172.1 | -174.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 670 | I | 35.7 | Very low | 45.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | -118.3 | 119.8 | 155.3 | -65 | -179.7 | 0 | 0 | 0 | 107.5 | I672 | I670-I672 HydrophobicContact CG2-CG1 4.39Å; I670-I672 PolarHBondContact O-N 3.16Å | ||
| 671 | R | 37.3 | Very low | 45.7 | Very low | 236 Ų | 236 | 133.7 Ų | 133.7 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -89.1 | 93.6 | -177 | -174.3 | -174.3 | -171 | -172 | 3.9 | 109.9 | ||||
| 672 | I | 42.5 | Very low | 45.8 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 124.1 | 173.9 | -55.9 | 178.5 | 0 | 0 | 0 | 108.8 | I670 | I670-I672 HydrophobicContact CG2-CG1 4.39Å; I670-I672 PolarHBondContact O-N 3.16Å |
| 673 | P | 54.4 | Low | 46.1 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 157.1 | 176.1 | 32.3 | -34.9 | 0 | 0 | 0 | 111.7 | ||
| 674 | P | 61.2 | Low | 46.1 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.9 | 170.4 | 29.5 | -34.9 | 0 | 0 | 0 | 111 | ||
| 675 | P | 60.2 | Low | 45.5 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.5 | 178.8 | 28.7 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 676 | P | 54.1 | Low | 45.3 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 152.9 | 179.5 | 31.6 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 677 | A | 53.5 | Low | 44.7 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 145.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 678 | P | 60.6 | Low | 43.9 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 145.6 | 175 | 29.9 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 679 | P | 47.5 | Very low | 43.7 | Very low | 101 Ų | 101 | 122.6 Ų | 122.6 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -75 | 158.4 | 177.3 | 32.4 | -35.9 | 0 | 0 | 0 | 112.1 | ||
| 680 | P | 46.9 | Very low | 43.7 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 147.1 | 169.2 | 30.6 | -34.8 | 0 | 0 | 0 | 110.8 | V682 | P680-V682 HydrophobicContact CB-CG1 4.39Š|
| 681 | F | 39.8 | Very low | 43.4 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 130.5 | 171.1 | -105.7 | -81.6 | 0 | 0 | 0 | 109.7 | L1135 | F681-L1135 HydrophobicContact CB-CD1 4.13Å; F681-L1135 WeakPolarHBondContact O-CB 3.37Å; F681-L1135 VanDerWaalsContact O-CD1 3.25Å; F681-L1135 WeakPolarHBondContact O-CD1 3.37Å; F681-L1135 WeakPolarHBondContact O-CG 3.45Å |
| 682 | V | 36.9 | Very low | 43.1 | Very low | 39 Ų | 39 | 120.7 Ų | 120.7 | 24% | 0.236 | 72% | 0.719 | C | S | . | * | trans | -154.9 | 119.4 | -159.1 | -87.1 | 0 | 0 | 0 | 0 | 113.9 | P680 D1133 L1134 L1135 | P680-V682 HydrophobicContact CB-CG1 4.39Å; V682-D1133 HydrophobicContact CB-CB 3.65Å; V682-D1133 VanDerWaalsContact CG1-C 3.46Å; V682-D1133 HydrophobicContact CG1-CB 4.49Å; V682-D1133 WeakPolarHBondContact CG1-O 3.36Å; V682-D1133 HydrophobicContact CG2-CB 3.56Å; V682-L1134 HydrophobicContact CB-CB 4.12Å; V682-L1135 VanDerWaalsContact CA-CG 3.42Å; V682-L1135 VanDerWaalsContact CA-N 3.29Å; V682-L1135 HydrophobicContact CG1-CB 4.29Å | ||
| 683 | V | 41.5 | Very low | 42.6 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 56% | 0.558 | 72% | 0.718 | S | S | * | * | trans | -156.2 | 150.7 | 178.9 | -168.1 | 0 | 0 | 0 | 0 | 110.2 | L1134 L1135 | V683-L1134 CarbonylContact O-C 3.26Å; V683-L1134 VanDerWaalsContact O-C 3.26Å; V683-L1135 HydrophobicContact CB-CD2 3.64Å; V683-L1135 HydrophobicContact CB-CG 4.42Å; V683-L1135 HydrophobicContact CG2-CD2 4.06Å; V683-L1135 WeakPolarHBondContact O-CA 3.34Å; V683-L1135 WeakPolarHBondContact O-CD2 3.36Å; V683-L1135 PolarHBondContact O-N 2.88Å | ||
| 684 | G | 37.3 | Very low | 41.9 | Very low | 47 Ų | 47 | 119.9 Ų | 119.9 | 49% | 0.485 | 73% | 0.726 | S | S | . | * | trans | -73.9 | -175.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 685 | G | 34.3 | Very low | 40.9 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | cis | 132.3 | 133 | 3.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 686 | L | 35.9 | Very low | 39.6 | Very low | 171 Ų | 171 | 118.7 Ų | 118.7 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | trans | -167.6 | 138.4 | 169.4 | -115.9 | 170 | 0 | 0 | 0 | 111.5 | ||||
| 687 | D | 33.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -76.1 | 148.9 | 179 | -60.4 | -86.6 | 0 | 0 | 0 | 113.9 | ||||
| 688 | S | 36.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | -167 | 143.2 | 123.4 | -83.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 689 | Q | 33.3 | Very low | 36.8 | Very low | 179 Ų | 179 | 120.7 Ų | 120.7 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | trans | -73.7 | 136.3 | -179 | -56.3 | 168.6 | 7.9 | 0 | 0 | 111.1 | ||||
| 690 | H | 34.1 | Very low | 36.2 | Very low | 180 Ų | 180 | 119.8 Ų | 119.8 | 83% | 0.833 | 71% | 0.712 | S | S | * | * | -172.7 | 134.9 | 124.3 | -108.9 | -77.2 | 0 | 0 | 0 | 113 | |||||
| 691 | S | 30.2 | Very low | 35.4 | Very low | 81 Ų | 81 | 120.5 Ų | 120.5 | 57% | 0.566 | 71% | 0.714 | S | S | * | * | trans | 3.6 | 123 | 155.5 | -156.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 692 | F | 31.4 | Very low | 35 | Very low | 190 Ų | 190 | 119.7 Ų | 119.7 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | -161.1 | 124.9 | 65.4 | -95.4 | -82.7 | 0 | 0 | 0 | 112.2 | |||||
| 693 | S | 31.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 135.1 | 169.6 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | P695 | S693-P695 WeakPolarHBondContact O-CD 3.15Š|
| 694 | P | 39 | Very low | 34.1 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126.9 | 161.4 | -21.2 | 33.8 | 0 | 0 | 0 | 110 | ||
| 695 | P | 40.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 158.3 | -176.2 | -20.5 | 33.8 | 0 | 0 | 0 | 113.9 | S693 | S693-P695 WeakPolarHBondContact O-CD 3.15Š|
| 696 | P | 33.4 | Very low | 33.6 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 155.2 | 177.4 | 32.9 | -36 | 0 | 0 | 0 | 112.3 | L698 | P696-L698 PolarHBondContact O-N 3.07Š|
| 697 | P | 43.8 | Very low | 33.5 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -71.6 | 107.3 | 161.6 | -9.7 | 26.5 | 0 | 0 | 0 | 109.2 | ||||
| 698 | L | 35.3 | Very low | 33.4 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | trans | -70.9 | 153.2 | 177.2 | -72.6 | 96 | 0 | 0 | 0 | 111.9 | P696 | P696-L698 PolarHBondContact O-N 3.07Š| ||
| 699 | P | 30.6 | Very low | 33.1 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -67.2 | 149.6 | 164.1 | 31.4 | -34.8 | 0 | 0 | 0 | 110.3 | ||||
| 700 | S | 34.1 | Very low | 32.9 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 57% | 0.573 | 68% | 0.683 | S | S | * | * | trans | -151.9 | 81.1 | 173.5 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 701 | T | 29.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -89 | 123 | 152.8 | 43.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 702 | L | 32.2 | Very low | 33 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | trans | -122.2 | 106.9 | 154.9 | -82.7 | 165.5 | 0 | 0 | 0 | 103.9 | ||||
| 703 | N | 32.6 | Very low | 32.8 | Very low | 125 Ų | 125 | 123 Ų | 123 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | 45.6 | 99.7 | 74.4 | -66.9 | 32.7 | 0 | 0 | 0 | 109.5 | |||||
| 704 | E | 27.7 | Very low | 32.9 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 49% | 0.491 | 67% | 0.673 | S | S | . | * | 51.6 | 99.9 | 64.8 | -169.9 | 172.6 | -124.2 | 0 | 0 | 111.8 | N1110 S1111 | E704-N1110 PolarHBondContact OE1-N 3.32Å; E704-S1111 PolarHBondContact OE1-N 2.84Å; E704-S1111 WeakPolarHBondContact OE2-CA 3.48Å; E704-S1111 PolarHBondContact OE2-N 3.15Å | |||
| 705 | L | 28.6 | Very low | 32.3 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | trans | -164.8 | 157.3 | 142.2 | -114.4 | 169 | 0 | 0 | 0 | 109.9 | S1111 | L705-S1111 WeakPolarHBondContact CD2-OG 3.43Š| ||
| 706 | A | 31.9 | Very low | 31.8 | Very low | 43 Ų | 43 | 122.2 Ų | 122.2 | 36% | 0.355 | 67% | 0.666 | S | S | . | * | trans | 71.1 | 118.9 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | M1109 | A706-M1109 WeakPolarHBondContact O-CE 3.37Š| ||
| 707 | Y | 32.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | trans | 70.5 | 136.1 | 133.2 | -80.2 | -118.3 | 0 | 0 | 0 | 117 | M1109 | Y707-M1109 WeakPolarHBondContact O-CE 3.39Š| ||
| 708 | H | 32 | Very low | 31 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | cis | 171.9 | 164.2 | -3.8 | -135 | -103.9 | 0 | 0 | 0 | 103.5 | ||||
| 709 | Q | 29.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 125 Ų | 125 | 60% | 0.598 | 67% | 0.668 | S | S | * | * | trans | 56.7 | 102.2 | 137.7 | -143.2 | 86.9 | 47.6 | 0 | 0 | 120.3 | ||||
| 710 | H | 30.6 | Very low | 31.1 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 61% | 0.606 | 67% | 0.666 | S | S | * | * | trans | 78.8 | 154.1 | 131.4 | -81 | -144.4 | 0 | 0 | 0 | 122.9 | ||||
| 711 | H | 32.7 | Very low | 31 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | trans | 75.9 | 117.8 | 146.1 | -71.8 | -30.8 | 0 | 0 | 0 | 118 | ||||
| 712 | I | 33.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 67% | 0.672 | 68% | 0.682 | S | S | * | * | 73.5 | 102.7 | 102.7 | -68.9 | 172.9 | 0 | 0 | 0 | 110 | |||||
| 713 | L | 26 | Very low | 31.5 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | 60.1 | 150.1 | 81.6 | -69.6 | 169.8 | 0 | 0 | 0 | 113.1 | |||||
| 714 | P | 33.6 | Very low | 31.5 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | cis | -130.9 | -141.2 | -36.6 | 29.4 | -6.7 | 0 | 0 | 0 | 108.6 | ||||
| 715 | V | 27.1 | Very low | 32 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | trans | 71.5 | 130 | 146.2 | 160.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 716 | T | 29.2 | Very low | 32.4 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | cis | -158.4 | 166.3 | -0.1 | 13.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 717 | K | 28.1 | Very low | 32.6 | Very low | 181 Ų | 181 | 129.5 Ų | 129.5 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | trans | 6.6 | 139.4 | 134.8 | -53.5 | 172.2 | -178 | -175 | 0 | 116.6 | ||||
| 718 | S | 33.1 | Very low | 32.9 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | -148.4 | 133.5 | 56 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 719 | D | 32.6 | Very low | 33.3 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | 67.1 | 134.6 | 100 | -50.5 | -57.9 | 0 | 0 | 0 | 113.6 | |||||
| 720 | S | 36.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | cis | -148.8 | 127.5 | 13.4 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 721 | F | 31.7 | Very low | 33.5 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | 61.6 | 105.7 | 92.5 | -97.8 | -81.1 | 0 | 0 | 0 | 117 | |||||
| 722 | I | 36.3 | Very low | 33.3 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | -174.1 | 143.5 | 113.5 | -92.7 | 157.9 | 0 | 0 | 0 | 108.9 | |||||
| 723 | P | 35.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | -114 | 165.2 | -156.8 | 40.9 | -32.7 | 0 | 0 | 0 | 116.9 | ||||
| 724 | Q | 32.9 | Very low | 33.3 | Very low | 105 Ų | 105 | 129 Ų | 129 | 49% | 0.491 | 74% | 0.743 | S | S | . | * | trans | -111.1 | 164.2 | 161.5 | -87.6 | -172.6 | 41.2 | 0 | 0 | 112.4 | D1161 I1164 | Q724-D1161 PolarHBondContact NE2-OD1 3.15Å; Q724-I1164 HydrophobicContact CG-CD1 4.16Å | ||
| 725 | P | 37.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 151 | -170.5 | -16.9 | 32.5 | 0 | 0 | 0 | 114.6 | ||
| 726 | P | 37.8 | Very low | 33.3 | Very low | 124 Ų | 124 | 133 Ų | 133 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 142.8 | -178.6 | 32.6 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 727 | A | 35.4 | Very low | 33.3 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 148 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 728 | P | 39.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138.1 | -179.7 | 28.6 | -34.4 | 0 | 0 | 0 | 112.4 | ||
| 729 | P | 40.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 156.1 | -179.5 | 32.5 | -35.9 | 0 | 0 | 0 | 113 | M731 | P729-M731 PolarHBondContact O-N 3.12Š|
| 730 | P | 33 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 120.8 | -179.4 | 30.6 | -34.2 | 0 | 0 | 0 | 112.4 | L732 | P730-L732 PolarHBondContact O-N 3.41Š|
| 731 | M | 31.2 | Very low | 33 | Very low | 173 Ų | 173 | 139 Ų | 139 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -78.9 | 95.7 | 167.8 | -82.4 | -170.4 | 67.4 | 0 | 0 | 111.5 | P729 | P729-M731 PolarHBondContact O-N 3.12Š| ||
| 732 | L | 28.2 | Very low | 33 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -87.8 | 112 | 148.1 | -94 | 172.2 | 0 | 0 | 0 | 108.3 | P730 | P730-L732 PolarHBondContact O-N 3.41Š| ||
| 733 | L | 31.6 | Very low | 32.9 | Very low | 133 Ų | 133 | 135 Ų | 135 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | -149.8 | 113.9 | 164.3 | -121.9 | 161.3 | 0 | 0 | 0 | 111.1 | ||||
| 734 | N | 27.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -75.4 | 125.2 | 168.4 | 175.7 | 2.6 | 0 | 0 | 0 | 108.3 | Q736 | N734-Q736 PolarHBondContact OD1-N 3.31Š| ||
| 735 | L | 31.5 | Very low | 32.7 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | -136 | 65.2 | 175.3 | -150.5 | 78.1 | 0 | 0 | 0 | 112.7 | ||||
| 736 | Q | 28.8 | Very low | 32.5 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 142.5 | 150.2 | -160.9 | 169 | 6.6 | 0 | 0 | 108.4 | N734 | N734-Q736 PolarHBondContact OD1-N 3.31Š| ||
| 737 | Q | 30.5 | Very low | 32.4 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 78.4 | 96.2 | -172.9 | -47.1 | 171.9 | 13.4 | 0 | 0 | 116.5 | ||||
| 738 | I | 33.7 | Very low | 32.4 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | -141.1 | 148.1 | 112.2 | -66.6 | -163.3 | 0 | 0 | 0 | 106.1 | |||||
| 739 | N | 30.8 | Very low | 32.2 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -137.7 | 147.7 | -173.1 | -164 | 6.2 | 0 | 0 | 0 | 112.5 | ||||
| 740 | T | 29.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 73 | 157 | 155.6 | -50.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 741 | I | 29.6 | Very low | 31.8 | Very low | 156 Ų | 156 | 128 Ų | 128 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | 107.8 | 108.3 | 174.2 | -60.7 | 161.3 | 0 | 0 | 0 | 109.3 | ||||
| 742 | I | 31.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | -154.4 | 131.9 | 65.9 | -71.9 | 179.1 | 0 | 0 | 0 | 112.2 | |||||
| 743 | T | 32.5 | Very low | 32 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | 55.1 | 151.6 | 161.5 | 58 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 744 | S | 31.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | cis | -169.9 | 137.6 | -12.3 | 47.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 745 | G | 32.8 | Very low | 32.1 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | 76.1 | 156.6 | 157 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 746 | A | 34.6 | Very low | 31.9 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | cis | -165.5 | 134.3 | -20.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 747 | S | 34.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | 34.6 | 145.8 | 151.7 | 58.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 748 | S | 35.5 | Very low | 31.7 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | cis | -178.4 | -160.9 | -16.9 | 58.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 749 | S | 35.4 | Very low | 31.6 | Very low | 71 Ų | 71 | 117.5 Ų | 117.5 | 50% | 0.497 | 72% | 0.721 | S | S | . | * | cis | -172 | 154.4 | -4.8 | 24.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 750 | S | 32.3 | Very low | 31.4 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 52.7 | 144.8 | 152.9 | 59.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 751 | S | 33.4 | Very low | 31.5 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | cis | -177.7 | -156.9 | -31.1 | 47.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 752 | D | 32.4 | Very low | 31.6 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 66% | 0.658 | 71% | 0.713 | S | S | * | * | cis | -164.8 | 163.9 | 4.6 | -138.1 | -51.7 | 0 | 0 | 0 | 111.5 | ||||
| 753 | T | 31.6 | Very low | 31.4 | Very low | 120 Ų | 120 | 115.1 Ų | 115.1 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 58 | 170.3 | 165.1 | 64.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 754 | S | 28.3 | Very low | 31.2 | Very low | 95 Ų | 95 | 113 Ų | 113 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | cis | -170.8 | 160.8 | -41.6 | -85 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 755 | S | 32.2 | Very low | 31 | Very low | 118 Ų | 118 | 118 Ų | 118 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | 63 | 166.2 | 164.4 | 70.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 756 | E | 28.6 | Very low | 30.7 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | cis | -165.6 | 174.4 | -49.9 | -149.1 | -172.5 | 121.9 | 0 | 0 | 107.4 | ||||
| 757 | L | 29.2 | Very low | 30.4 | Very low | 125 Ų | 125 | 123 Ų | 123 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | trans | 60.6 | 93.8 | 154.5 | -61.7 | 175 | 0 | 0 | 0 | 121.8 | ||||
| 758 | T | 26.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | 86.4 | 151.8 | 120.6 | 72.8 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 759 | K | 30.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | 92.4 | 126.6 | 151.9 | -73.9 | 163.1 | -176.6 | 169.7 | 0 | 120.1 | ||||
| 760 | S | 27.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 56.2 | 115.1 | 146.8 | -139.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 761 | S | 31.3 | Very low | 29.1 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 57% | 0.573 | 73% | 0.726 | S | S | * | * | -164.8 | 130.9 | 52.1 | -94.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 762 | E | 30.3 | Very low | 28.9 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | 97.6 | 146.3 | 91 | -76.3 | 174.7 | 108.7 | 0 | 0 | 112.4 | |||||
| 763 | Q | 28.8 | Very low | 28.7 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | trans | 52.9 | 95.9 | 165.9 | -88.9 | 61 | -34.1 | 0 | 0 | 116.8 | ||||
| 764 | S | 27.9 | Very low | 28.7 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | 83.6 | 134.9 | 79.4 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 765 | Y | 27.8 | Very low | 29.1 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | cis | -133.5 | 142.6 | -8.2 | -90.7 | -88.6 | 0 | 0 | 0 | 105.4 | ||||
| 766 | I | 26.8 | Very low | 29.2 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | cis | 70.6 | 108.3 | 42.6 | -57.2 | 179.7 | 0 | 0 | 0 | 113.4 | ||||
| 767 | N | 27.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | 70.5 | 144 | 177.6 | -55.3 | -23.7 | 0 | 0 | 0 | 115.2 | ||||
| 768 | S | 29.2 | Very low | 30.1 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | cis | -124.6 | 131.2 | 17.5 | -65.8 | 0 | 0 | 0 | 0 | 114.9 | E770 | S768-E770 PolarHBondContact O-N 2.8Š| ||
| 769 | C | 25 | Very low | 30.8 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 88% | 0.878 | 70% | 0.697 | S | S | * | * | trans | -82 | 82.2 | 152.8 | -67 | 0 | 0 | 0 | 0 | 109.2 | T771 | C769-T771 PolarHBondContact O-N 3.5Š| ||
| 770 | E | 30.2 | Very low | 31.5 | Very low | 170 Ų | 170 | 124.3 Ų | 124.3 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | -73.2 | 116.9 | 168.4 | -79.4 | -158.5 | 135.3 | 0 | 0 | 110.4 | S768 I772 | S768-E770 PolarHBondContact O-N 2.8Å; E770-I772 PolarHBondContact O-N 3.48Å; E770-I772 VanDerWaalsContact O-N 3.09Å | ||
| 771 | T | 27.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | trans | -75.9 | 97.1 | 175.1 | -56.2 | 0 | 0 | 0 | 0 | 108.1 | C769 Q773 | C769-T771 PolarHBondContact O-N 3.5Å; T771-Q773 HydrophobicContact CG2-CG 3.83Å; T771-Q773 PolarHBondContact O-N 3.34Å | ||
| 772 | I | 28.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 81% | 0.805 | 65% | 0.649 | S | S | * | * | trans | -69.1 | 82.3 | 172.5 | -55 | -179.2 | 0 | 0 | 0 | 108.7 | E770 S774 | E770-I772 PolarHBondContact O-N 3.48Å; E770-I772 VanDerWaalsContact O-N 3.09Å; I772-S774 PolarHBondContact O-N 3.03Å | ||
| 773 | Q | 29 | Very low | 33.4 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 73% | 0.729 | 64% | 0.641 | S | S | * | * | trans | -68.4 | 108.6 | 166.9 | -63.9 | -167.9 | 4.6 | 0 | 0 | 107.4 | T771 E775 | T771-Q773 HydrophobicContact CG2-CG 3.83Å; T771-Q773 PolarHBondContact O-N 3.34Å; Q773-E775 PolarHBondContact O-N 3.2Å | ||
| 774 | S | 29.6 | Very low | 34.1 | Very low | 71 Ų | 71 | 118.5 Ų | 118.5 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -72.4 | 93.5 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | I772 K776 | I772-S774 PolarHBondContact O-N 3.03Å; S774-K776 PolarHBondContact O-N 3.43Å | ||
| 775 | E | 38.1 | Very low | 34.6 | Very low | 149 Ų | 149 | 119.2 Ų | 119.2 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | trans | -63.8 | 100.3 | 170.9 | -74 | -163.1 | 126.8 | 0 | 0 | 110.1 | Q773 L777 | Q773-E775 PolarHBondContact O-N 3.2Å; E775-L777 HydrophobicContact CB-CD1 4.32Å; E775-L777 HydrophobicContact CB-CG 4.25Å; E775-L777 PolarHBondContact O-N 3.24Å | ||
| 776 | K | 34.9 | Very low | 35.2 | Very low | 204 Ų | 204 | 114.8 Ų | 114.8 | 89% | 0.887 | 62% | 0.617 | S | S | * | * | trans | -68.3 | 66.9 | 158 | -83.7 | -167.3 | 170.9 | -171.2 | 0 | 109.7 | S774 S778 | S774-K776 PolarHBondContact O-N 3.43Å; K776-S778 PolarHBondContact O-N 3.03Å; K776-S778 VanDerWaalsContact O-N 3.14Å | ||
| 777 | L | 39 | Very low | 35.7 | Very low | 100 Ų | 100 | 114 Ų | 114 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | trans | -68.7 | 107.6 | 168.5 | -87.3 | 164.5 | 0 | 0 | 0 | 108.9 | E775 | E775-L777 HydrophobicContact CB-CD1 4.32Å; E775-L777 HydrophobicContact CB-CG 4.25Å; E775-L777 PolarHBondContact O-N 3.24Å | ||
| 778 | S | 36.4 | Very low | 36.2 | Very low | 51 Ų | 51 | 114.3 Ų | 114.3 | 36% | 0.357 | 62% | 0.619 | S | S | . | * | trans | -62.9 | 142.5 | 172 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | K776 I780 D781 | K776-S778 PolarHBondContact O-N 3.03Å; K776-S778 VanDerWaalsContact O-N 3.14Å; S778-I780 PolarHBondContact O-N 3.23Å; S778-I780 PolarHBondContact OG-N 3.38Å; S778-D781 WeakPolarHBondContact CB-OD2 3.45Å; S778-D781 PolarHBondContact O-N 3.39Å; S778-D781 VanDerWaalsContact O-N 3.07Å | ||
| 779 | A | 41.2 | Very low | 36.3 | Very low | 69 Ų | 69 | 113.9 Ų | 113.9 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.5 | -22.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L783 | A779-L783 WeakPolarHBondContact O-CG 3.19Å; A779-L783 PolarHBondContact O-N 3.5Å |
| 780 | I | 46 | Very low | 36.6 | Very low | 65 Ų | 65 | 113 Ų | 113 | 33% | 0.333 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.8 | -36.5 | 178.3 | -62.8 | 173.5 | 0 | 0 | 0 | 111.9 | S778 L783 K784 | S778-I780 PolarHBondContact O-N 3.23Å; S778-I780 PolarHBondContact OG-N 3.38Å; I780-L783 PolarHBondContact O-N 2.77Å; I780-K784 HydrophobicContact CG2-CD 4.17Å; I780-K784 VanDerWaalsContact CG2-CE 3.49Å; I780-K784 WeakPolarHBondContact O-CG 3.41Å; I780-K784 PolarHBondContact O-N 3.22Å |
| 781 | D | 44.6 | Very low | 36.6 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 36% | 0.358 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -79.7 | -28.8 | -174.4 | -58.5 | -46 | 0 | 0 | 0 | 112.2 | S778 N785 | S778-D781 WeakPolarHBondContact CB-OD2 3.45Å; S778-D781 PolarHBondContact O-N 3.39Å; S778-D781 VanDerWaalsContact O-N 3.07Å; D781-N785 PolarHBondContact O-N 3.47Å; D781-N785 PolarHBondContact O-ND2 2.98Å |
| 782 | I | 47 | Very low | 36.8 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 168.9 | -60.6 | 176.8 | 0 | 0 | 0 | 110.1 | L786 | I782-L786 HydrophobicContact CG2-CD1 4.09Å; I782-L786 WeakPolarHBondContact O-CD1 3.45Å; I782-L786 PolarHBondContact O-N 3.35Å |
| 783 | L | 37.6 | Very low | 36.8 | Very low | 103 Ų | 103 | 111.3 Ų | 111.3 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.8 | -41.8 | 177.2 | -71.9 | 169 | 0 | 0 | 0 | 112.4 | A779 I780 N785 L786 C787 | A779-L783 WeakPolarHBondContact O-CG 3.19Å; A779-L783 PolarHBondContact O-N 3.5Å; I780-L783 PolarHBondContact O-N 2.77Å; L783-N785 PolarHBondContact O-N 3.4Å; L783-L786 PolarHBondContact O-N 3.47Å; L783-C787 PolarHBondContact O-N 3.42Å |
| 784 | K | 42.1 | Very low | 36.9 | Very low | 112 Ų | 112 | 109.2 Ų | 109.2 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61 | -42 | 177.8 | -74.6 | 169.5 | -177.1 | 165.8 | 0 | 112.7 | I780 C787 Q788 | I780-K784 HydrophobicContact CG2-CD 4.17Å; I780-K784 VanDerWaalsContact CG2-CE 3.49Å; I780-K784 WeakPolarHBondContact O-CG 3.41Å; I780-K784 PolarHBondContact O-N 3.22Å; K784-C787 PolarHBondContact O-N 3.11Å; K784-Q788 PolarHBondContact O-N 3.42Å |
| 785 | N | 38.1 | Very low | 36.9 | Very low | 101 Ų | 101 | 110.6 Ų | 110.6 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.1 | -37.5 | 179.7 | -78.3 | -60.2 | 0 | 0 | 0 | 113.4 | D781 L783 Q788 S789 | D781-N785 PolarHBondContact O-N 3.47Å; D781-N785 PolarHBondContact O-ND2 2.98Å; L783-N785 PolarHBondContact O-N 3.4Å; N785-Q788 PolarHBondContact O-N 2.91Å; N785-S789 PolarHBondContact O-OG 3.47Å |
| 786 | L | 40.5 | Very low | 36.6 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.9 | -35.5 | 175.1 | -88.9 | 85.2 | 0 | 0 | 0 | 112.3 | I782 L783 Q788 | I782-L786 HydrophobicContact CG2-CD1 4.09Å; I782-L786 WeakPolarHBondContact O-CD1 3.45Å; I782-L786 PolarHBondContact O-N 3.35Å; L783-L786 PolarHBondContact O-N 3.47Å; L786-Q788 VanDerWaalsContact C-N 3.32Å; L786-Q788 PolarHBondContact O-N 3.28Å |
| 787 | C | 38.4 | Very low | 36.5 | Very low | 114 Ų | 114 | 104.1 Ų | 104.1 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.5 | -12.7 | -179.9 | -72.7 | 0 | 0 | 0 | 0 | 115.2 | L783 K784 | L783-C787 PolarHBondContact O-N 3.42Å; K784-C787 PolarHBondContact O-N 3.11Å |
| 788 | Q | 38.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 103.8 Ų | 103.8 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -98 | -15.3 | 176.9 | -67.8 | 179.4 | -2.9 | 0 | 0 | 113.2 | K784 N785 L786 S790 | K784-Q788 PolarHBondContact O-N 3.42Å; N785-Q788 PolarHBondContact O-N 2.91Å; L786-Q788 VanDerWaalsContact C-N 3.32Å; L786-Q788 PolarHBondContact O-N 3.28Å; Q788-S790 VanDerWaalsContact C-N 3.31Å; Q788-S790 PolarHBondContact O-N 3.07Å |
| 789 | S | 30.5 | Very low | 35.9 | Very low | 94 Ų | 94 | 106.5 Ų | 106.5 | 66% | 0.657 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 43.7 | -170.8 | -60.9 | 0 | 0 | 0 | 0 | 114.5 | N785 | N785-S789 PolarHBondContact O-OG 3.47Š|
| 790 | S | 30.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 108.4 Ų | 108.4 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.4 | 16.6 | -177 | -76.3 | 0 | 0 | 0 | 0 | 116.8 | Q788 | Q788-S790 VanDerWaalsContact C-N 3.31Å; Q788-S790 PolarHBondContact O-N 3.07Å |
| 791 | I | 30.5 | Very low | 34.6 | Very low | 162 Ų | 162 | 111.2 Ų | 111.2 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | trans | -136.4 | 94.4 | 173.4 | -50.8 | 179.1 | 0 | 0 | 0 | 111.3 | ||||
| 792 | S | 31.1 | Very low | 34 | Very low | 129 Ų | 129 | 113.8 Ų | 113.8 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -160.9 | 154.2 | 154.6 | -83.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 793 | S | 29.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -123.6 | -175.1 | -158 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 794 | S | 31.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | 75.7 | 156.9 | 178.3 | 82.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 795 | S | 29.4 | Very low | 32 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | 179.9 | 159.4 | -54.8 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 796 | S | 32.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 69.5 | 152.8 | 177.8 | 81.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 797 | S | 31.4 | Very low | 30.9 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | cis | -165.2 | 176.2 | -26.4 | 52.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 798 | S | 32.3 | Very low | 30.5 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 62.9 | 96.5 | 148 | 51 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 799 | S | 30 | Very low | 30.2 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | 54 | 118.2 | 121.7 | 63.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 800 | S | 31.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 169.9 | 116.9 | 107.9 | 59.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 801 | S | 28.9 | Very low | 29.9 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | 79.9 | 80.6 | 66.3 | -61.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 802 | S | 32.1 | Very low | 29.9 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -154.4 | 108.9 | 149.3 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 803 | S | 27.5 | Very low | 29.7 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | -90 | 148.3 | -179.8 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 804 | F | 30.1 | Very low | 29.5 | Very low | 217 Ų | 217 | 124.3 Ų | 124.3 | 95% | 0.952 | 76% | 0.759 | S | S | * | * | trans | -129.4 | 140.1 | 146.2 | -85 | -78 | 0 | 0 | 0 | 110.5 | ||||
| 805 | N | 26.1 | Very low | 29.4 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -110.5 | 162.5 | -175 | -99.5 | -62.9 | 0 | 0 | 0 | 110.7 | ||||
| 806 | L | 29.9 | Very low | 29.4 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | trans | 152.7 | 104.4 | 156.6 | -85.1 | 155.9 | 0 | 0 | 0 | 105.9 | ||||
| 807 | S | 27 | Very low | 29.8 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | cis | 60 | 134.5 | 27.7 | -78.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 808 | S | 29.8 | Very low | 29.9 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | -173.1 | 172.6 | -0.2 | 46.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 809 | N | 30.6 | Very low | 29.9 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 118.9 | 134.7 | 144.8 | -56.9 | -46.9 | 0 | 0 | 0 | 114.7 | ||||
| 810 | F | 28.7 | Very low | 30.1 | Very low | 184 Ų | 184 | 131 Ų | 131 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | cis | 68 | 144.3 | 39.5 | -67 | -65.8 | 0 | 0 | 0 | 113.5 | ||||
| 811 | M | 27.8 | Very low | 30.2 | Very low | 165 Ų | 165 | 133 Ų | 133 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | -152.4 | -174.3 | 13.5 | -140 | 169.9 | -164.5 | 0 | 0 | 113.7 | ||||
| 812 | T | 29.5 | Very low | 30.5 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | -87.7 | 162 | -178.6 | 52 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 813 | T | 26.9 | Very low | 31.1 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | 170.9 | 134.4 | 118 | 37.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 814 | S | 26.5 | Very low | 31.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 75.9 | 162.2 | 130.1 | -152.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 815 | I | 29 | Very low | 31.6 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | 75.2 | 137.7 | 165.7 | -48.2 | -178.6 | 0 | 0 | 0 | 117.4 | ||||
| 816 | A | 28.9 | Very low | 31.8 | Very low | 83 Ų | 83 | 126.7 Ų | 126.7 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | cis | -168.7 | -158.3 | -28.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 817 | P | 41.3 | Very low | 31.7 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | -124.7 | -153.8 | -105 | 41.9 | -22.9 | 0 | 0 | 0 | 115.1 | |||||
| 818 | F | 32.5 | Very low | 31.8 | Very low | 193 Ų | 193 | 125.6 Ų | 125.6 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | 78.6 | 137 | -179.4 | -53.1 | -72.8 | 0 | 0 | 0 | 114.7 | ||||
| 819 | S | 32.6 | Very low | 31.8 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | cis | -165.8 | -170.1 | -11.8 | -150.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 820 | L | 34.2 | Very low | 31.8 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | cis | -156.4 | 111 | 8.3 | -169.4 | 127.8 | 0 | 0 | 0 | 113.3 | ||||
| 821 | I | 34.1 | Very low | 32 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | 69.8 | 148.9 | 143.2 | -73.8 | 173.8 | 0 | 0 | 0 | 122.2 | ||||
| 822 | P | 36.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -136.4 | -120.9 | -155.9 | 39.2 | -14.2 | 0 | 0 | 0 | 114.3 | ||||
| 823 | P | 44.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 115.8 Ų | 115.8 | 69% | 0.688 | 71% | 0.712 | S | S | * | * | -113.7 | -169 | -77.3 | 36.3 | -18.8 | 0 | 0 | 0 | 113.6 | |||||
| 824 | S | 34.5 | Very low | 32.3 | Very low | 92 Ų | 92 | 115 Ų | 115 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | 158.6 | 133.6 | 117.5 | -70 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 825 | I | 32.3 | Very low | 32.4 | Very low | 156 Ų | 156 | 115.8 Ų | 115.8 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | 55.6 | 135 | 127.6 | -60.9 | 171.2 | 0 | 0 | 0 | 119.7 | |||||
| 826 | S | 30.5 | Very low | 32.2 | Very low | 89 Ų | 89 | 116 Ų | 116 | 62% | 0.622 | 69% | 0.692 | S | S | * | * | cis | -173 | 162.1 | -10.1 | -96.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 827 | T | 28 | Very low | 32.1 | Very low | 124 Ų | 124 | 118.3 Ų | 118.3 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | trans | 60.4 | 135.1 | 145.2 | 50.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 828 | S | 29.6 | Very low | 31.5 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | 66.1 | 143.5 | 145.8 | 49.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 829 | S | 29.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | cis | -168.2 | 171.7 | -10.9 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 830 | T | 29.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | 69 | 118.5 | 155.1 | 39.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 831 | S | 32.8 | Very low | 31 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | trans | 51.5 | 121.1 | 154.9 | 55.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 832 | S | 30.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 116.4 Ų | 116.4 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | cis | 151.8 | -143.4 | -0.4 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 833 | V | 31 | Very low | 30.5 | Very low | 62 Ų | 62 | 118.1 Ų | 118.1 | 38% | 0.376 | 70% | 0.701 | S | S | . | * | trans | 89.2 | 158.8 | 145.6 | -166.1 | 0 | 0 | 0 | 0 | 121.5 | N1222 I1223 | V833-N1222 HydrophobicContact CG2-CB 4.04Å; V833-N1222 VanDerWaalsContact CG2-OD1 3.31Å; V833-N1222 WeakPolarHBondContact CG2-OD1 3.47Å; V833-I1223 HydrophobicContact CB-CG2 4.34Å; V833-I1223 HydrophobicContact CG1-CB 4.16Å; V833-I1223 HydrophobicContact CG1-CG1 3.87Å; V833-I1223 HydrophobicContact CG1-CG2 3.8Å; V833-I1223 HydrophobicContact CG2-CG2 4.1Å | ||
| 834 | E | 29.3 | Very low | 29.7 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 55% | 0.547 | 70% | 0.697 | S | S | . | * | trans | -87.5 | 169.4 | -179.1 | -72.6 | 171.2 | -151.5 | 0 | 0 | 114.5 | I1223 | E834-I1223 HydrophobicContact CB-CD1 4.5Š| ||
| 835 | N | 29.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 68% | 0.679 | 70% | 0.702 | S | S | * | * | cis | -149.3 | 151.9 | 8.6 | -134 | -29 | 0 | 0 | 0 | 114 | ||||
| 836 | E | 25.6 | Very low | 29.2 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | trans | 46 | 147.1 | 154.8 | -108.2 | -176.1 | -174.9 | 0 | 0 | 126.1 | ||||
| 837 | I | 26.9 | Very low | 29.1 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | trans | 78.8 | 98.8 | 156.2 | -61.9 | 163.8 | 0 | 0 | 0 | 120.1 | ||||
| 838 | I | 27.6 | Very low | 29.3 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | 57.2 | 147.1 | 131.2 | -55.8 | 178.4 | 0 | 0 | 0 | 119.6 | ||||
| 839 | P | 32.7 | Very low | 29 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | cis | -125.4 | 177.7 | -25 | 37.7 | -22.1 | 0 | 0 | 0 | 113.6 | ||||
| 840 | S | 26.9 | Very low | 28.8 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | trans | -178.7 | 144.5 | 131.8 | 33.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 841 | L | 30.3 | Very low | 28.6 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 85% | 0.848 | 71% | 0.712 | S | S | * | * | trans | -75.2 | 165.8 | 156.7 | -113.7 | 68.6 | 0 | 0 | 0 | 109 | ||||
| 842 | P | 31.4 | Very low | 28.5 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | cis | -150.6 | 178.6 | 40.8 | 44 | -24.4 | 0 | 0 | 0 | 118 | ||||
| 843 | N | 27.8 | Very low | 28.3 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 64.9 | 148.4 | 149.3 | -68.3 | -16.1 | 0 | 0 | 0 | 120 | ||||
| 844 | S | 28.2 | Very low | 28.2 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -165.8 | 170.2 | -18.1 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 845 | N | 27 | Very low | 28.1 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 57.7 | 111.3 | 145.7 | -81.1 | -0.9 | 0 | 0 | 0 | 120.6 | ||||
| 846 | I | 29.1 | Very low | 27.9 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | 157.1 | 117.6 | 106.7 | -89.6 | 147.9 | 0 | 0 | 0 | 112.8 | |||||
| 847 | Q | 27.2 | Very low | 28 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | 55.5 | 157.6 | 148.7 | -58.8 | 171.6 | 10.7 | 0 | 0 | 118.8 | ||||
| 848 | Q | 32 | Very low | 28 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | cis | -124.9 | 174.9 | 7.9 | -69.6 | 176.6 | -0.2 | 0 | 0 | 111.7 | ||||
| 849 | S | 23.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -148.7 | 176.7 | -178.1 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 850 | I | 25.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 78.3 | 149.3 | 165.5 | -24.9 | -177.3 | 0 | 0 | 0 | 117.3 | ||||
| 851 | I | 26.2 | Very low | 27.9 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 82.5 | 99.6 | 161.7 | -43 | -179.2 | 0 | 0 | 0 | 117.2 | ||||
| 852 | M | 30.3 | Very low | 28.1 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | -162.1 | 108.9 | 103 | -98.7 | -57.9 | -90 | 0 | 0 | 111.8 | |||||
| 853 | N | 26.6 | Very low | 27.8 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -101.5 | 134.7 | 158.1 | -119.7 | -9.9 | 0 | 0 | 0 | 106.2 | ||||
| 854 | S | 28.3 | Very low | 27.9 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | trans | -169.9 | 118.3 | 151.8 | -89.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 855 | L | 28 | Very low | 27.7 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | 69.8 | 112.9 | 135.9 | -60.8 | 171.4 | 0 | 0 | 0 | 121.3 | ||||
| 856 | N | 25.4 | Very low | 27.7 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -59.7 | 158.8 | 154.5 | -52.5 | -73.8 | 0 | 0 | 0 | 112.6 | ||||
| 857 | S | 26.4 | Very low | 27.8 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -170.6 | 142.5 | 128 | -88.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 858 | I | 27.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 54.9 | 91.7 | 147.2 | -56.4 | 164.8 | 0 | 0 | 0 | 115.2 | ||||
| 859 | K | 25.4 | Very low | 27.8 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | 43.4 | 111.5 | 71.2 | -69.4 | -170.1 | 174.9 | -176 | 0 | 115.5 | |||||
| 860 | N | 31.1 | Very low | 28.1 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -175 | 165.2 | 114.3 | -91.6 | -22.7 | 0 | 0 | 0 | 114.8 | |||||
| 861 | L | 29.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -82.2 | -175.4 | -175.1 | -100.1 | 70.5 | 0 | 0 | 0 | 112.7 | I863 | L861-I863 HydrophobicContact CD2-CD1 4.37Š| ||
| 862 | P | 33.8 | Very low | 28.3 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -137.6 | 161.5 | 12.1 | 33 | -10.6 | 0 | 0 | 0 | 119.7 | ||||
| 863 | I | 25.9 | Very low | 28.3 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 68% | 0.677 | 78% | 0.784 | S | S | * | * | trans | -10.3 | 136.4 | 138 | -55.4 | 153.9 | 0 | 0 | 0 | 116.7 | L861 | L861-I863 HydrophobicContact CD2-CD1 4.37Š| ||
| 864 | L | 27.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 93% | 0.927 | 79% | 0.788 | S | S | * | * | trans | -148.3 | 135.9 | 135.3 | -155.7 | 70.4 | 0 | 0 | 0 | 112 | ||||
| 865 | S | 25.5 | Very low | 28.7 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -129.7 | 135.4 | 172.3 | 52.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 866 | K | 27.3 | Very low | 28.8 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 177.2 | 175.1 | 161 | -108 | 168.3 | -176.5 | -175.4 | 0 | 111.1 | ||||
| 867 | L | 30.3 | Very low | 29 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | 77 | 121.8 | 177.2 | -45.5 | 168.3 | 0 | 0 | 0 | 113.7 | ||||
| 868 | D | 32.9 | Very low | 29.1 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | cis | -152.7 | 161.5 | -10 | -114.9 | -24.1 | 0 | 0 | 0 | 113.7 | ||||
| 869 | S | 27 | Very low | 29 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -96.2 | 150.6 | 174 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 870 | I | 29.5 | Very low | 29.1 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | trans | -156 | 143.1 | 145 | -100.7 | 144.9 | 0 | 0 | 0 | 107.7 | ||||
| 871 | A | 26.9 | Very low | 28.7 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -137.8 | 145.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 872 | T | 29.7 | Very low | 28.7 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -155.9 | 113.7 | 158.3 | 29.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 873 | S | 29.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | cis | 81.3 | 91.8 | 40.9 | 84.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 874 | S | 31.8 | Very low | 28.4 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -150.6 | 126.8 | 148.5 | 56.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 875 | S | 30.5 | Very low | 28.5 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -123.3 | 155 | -173.7 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 876 | S | 31.3 | Very low | 28.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -153.2 | 136.7 | 157.1 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 877 | S | 28.3 | Very low | 28.7 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -139.8 | 148.6 | -167.8 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 878 | S | 30 | Very low | 28.6 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -145.7 | 127.8 | 160.9 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 879 | S | 24.8 | Very low | 28.7 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -111.2 | 150 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 880 | C | 26.9 | Very low | 29 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -152.1 | 112.4 | 154 | 56 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 881 | E | 23.1 | Very low | 29.2 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -74.6 | 155 | 162.2 | -61.2 | 170.7 | 106.1 | 0 | 0 | 109.8 | ||||
| 882 | S | 30 | Very low | 29.8 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -157.7 | 143.2 | 157.6 | -85 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 883 | N | 27.3 | Very low | 30.4 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -92 | 164.1 | -174.9 | -74.1 | -77.8 | 0 | 0 | 0 | 112.5 | ||||
| 884 | N | 25.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | 36.5 | 118.3 | 152.3 | -68.7 | -18.1 | 0 | 0 | 0 | 118.9 | ||||
| 885 | N | 28.9 | Very low | 33.1 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | -163.8 | 161 | 95.9 | -99.5 | -42.2 | 0 | 0 | 0 | 113.1 | |||||
| 886 | Q | 26.7 | Very low | 34.5 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 136 | 172.4 | -64.8 | 174.1 | -30.6 | 0 | 0 | 110.4 | ||||
| 887 | N | 30.8 | Very low | 36 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -146.3 | 130.3 | 154.1 | -158.3 | -7.6 | 0 | 0 | 0 | 110.9 | N889 | N887-N889 PolarHBondContact O-N 3.34Š| ||
| 888 | V | 29.1 | Very low | 38 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 72% | 0.72 | S | S | * | * | trans | -90.3 | 86.8 | -173.9 | -178 | 0 | 0 | 0 | 0 | 109 | K890 | V888-K890 PolarHBondContact O-N 3.02Š| ||
| 889 | N | 33.9 | Very low | 39.8 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | -69 | 103.2 | 177.4 | -83.8 | -35.2 | 0 | 0 | 0 | 111 | N887 K891 | N887-N889 PolarHBondContact O-N 3.34Å; N889-K891 PolarHBondContact O-N 3.43Å; N889-K891 VanDerWaalsContact O-N 3.14Å | ||
| 890 | K | 33.3 | Very low | 41.7 | Very low | 192 Ų | 192 | 124.6 Ų | 124.6 | 84% | 0.835 | 66% | 0.656 | S | S | * | * | trans | -54.8 | 115.9 | 169.6 | -68.7 | 179.6 | 177.9 | 179.4 | 0 | 109.3 | V888 L892 | V888-K890 PolarHBondContact O-N 3.02Å; K890-L892 PolarHBondContact O-N 3.4Å | ||
| 891 | K | 34 | Very low | 43.5 | Very low | 198 Ų | 198 | 120.3 Ų | 120.3 | 86% | 0.861 | 63% | 0.627 | S | S | * | * | trans | -63.6 | 106 | 171.8 | -173.7 | 179.6 | -177.8 | -176.6 | 0 | 108.4 | N889 I893 | N889-K891 PolarHBondContact O-N 3.43Å; N889-K891 VanDerWaalsContact O-N 3.14Å; K891-I893 PolarHBondContact O-N 3.47Å | ||
| 892 | L | 39.6 | Very low | 45.7 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | trans | -58.4 | 123.8 | 171.9 | -110.3 | 76.6 | 0 | 0 | 0 | 108.4 | K890 E894 | K890-L892 PolarHBondContact O-N 3.4Å; L892-E894 PolarHBondContact O-N 3.45Å | ||
| 893 | I | 41.9 | Very low | 47 | Very low | 160 Ų | 160 | 116.4 Ų | 116.4 | 82% | 0.821 | 59% | 0.591 | S | S | * | * | trans | -79.2 | 107.7 | 172 | -62.2 | 173.8 | 0 | 0 | 0 | 106.2 | K891 | K891-I893 PolarHBondContact O-N 3.47Š| ||
| 894 | E | 56.2 | Low | 48.7 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | trans | -70.6 | 140.1 | 172.5 | -171.7 | 164 | -127.9 | 0 | 0 | 109.9 | L892 V899 R902 | L892-E894 PolarHBondContact O-N 3.45Å; E894-V899 HydrophobicContact CG-CG2 4.24Å; E894-R902 IonicContact OE1-CZ 3.26Å; E894-R902 VanDerWaalsContact OE1-CZ 3.26Å; E894-R902 IonicContact OE1-NH1 2.98Å; E894-R902 PolarHBondContact OE1-NH1 3.45Å; E894-R902 IonicContact OE1-NH2 2.68Å; E894-R902 PolarHBondContact OE1-NH2 2.89Å; E894-R902 IonicContact OE2-CZ 3.72Å; E894-R902 IonicContact OE2-NH1 2.76Å; E894-R902 PolarHBondContact OE2-NH1 2.98Å; E894-R902 IonicContact OE2-NH2 3.88Å | ||
| 895 | D | 63.1 | Low | 49.6 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | trans | -60.3 | 123.6 | -176 | 173.5 | 12.6 | 0 | 0 | 0 | 111.1 | F897 A898 V899 | D895-F897 PolarHBondContact O-N 2.97Å; D895-F897 VanDerWaalsContact O-N 3.15Å; D895-F897 PolarHBondContact OD1-N 3.1Å; D895-A898 HydrophobicContact CB-CB 4.1Å; D895-A898 WeakPolarHBondContact O-CA 3.19Å; D895-A898 WeakPolarHBondContact O-CB 3.16Å; D895-A898 PolarHBondContact O-N 3.49Å; D895-V899 PolarHBondContact O-N 2.89Å; D895-V899 VanDerWaalsContact O-N 3.08Å | ||
| 896 | P | 60.4 | Low | 50.7 | Low | 54 Ų | 54 | 102.4 Ų | 102.4 | 35% | 0.351 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57 | -28.6 | 176.4 | 22.9 | -33.9 | 0 | 0 | 0 | 113.2 | A261 V899 I900 | A261-P896 HydrophobicContact CB-CB 4.23Å; P896-V899 PolarHBondContact O-N 3.26Å; P896-I900 WeakPolarHBondContact O-CB 3.34Å; P896-I900 VanDerWaalsContact O-CG1 3.22Å; P896-I900 WeakPolarHBondContact O-CG1 3.33Å; P896-I900 PolarHBondContact O-N 2.91Å |
| 897 | F | 63 | Low | 51.6 | Low | 106 Ų | 106 | 96.3 Ų | 96.3 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70 | -33 | 173.4 | -71.3 | -77.5 | 0 | 0 | 0 | 112.6 | Y265 D895 S901 | Y265-F897 HydrophobicContact CD2-CZ 4.23Å; Y265-F897 HydrophobicContact CE2-CZ 4.45Å; D895-F897 PolarHBondContact O-N 2.97Å; D895-F897 VanDerWaalsContact O-N 3.15Å; D895-F897 PolarHBondContact OD1-N 3.1Å; F897-S901 WeakPolarHBondContact O-CB 3.36Å; F897-S901 PolarHBondContact O-N 3.48Å; F897-S901 PolarHBondContact O-OG 3.29Å |
| 898 | A | 69.7 | Low | 52.2 | Low | 32 Ų | 32 | 95.5 Ų | 95.5 | 26% | 0.264 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D895 S901 R902 | D895-A898 HydrophobicContact CB-CB 4.1Å; D895-A898 WeakPolarHBondContact O-CA 3.19Å; D895-A898 WeakPolarHBondContact O-CB 3.16Å; D895-A898 PolarHBondContact O-N 3.49Å; A898-S901 PolarHBondContact O-N 3.17Å; A898-R902 WeakPolarHBondContact O-CG 3.35Å; A898-R902 PolarHBondContact O-N 3.48Å |
| 899 | V | 66.5 | Low | 52.8 | Low | 33 Ų | 33 | 94.6 Ų | 94.6 | 20% | 0.2 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | I257 E894 D895 P896 S901 R902 L903 | I257-V899 HydrophobicContact CG2-CG1 4.01Å; E894-V899 HydrophobicContact CG-CG2 4.24Å; D895-V899 PolarHBondContact O-N 2.89Å; D895-V899 VanDerWaalsContact O-N 3.08Å; P896-V899 PolarHBondContact O-N 3.26Å; V899-S901 VanDerWaalsContact C-N 3.3Å; V899-S901 PolarHBondContact O-N 3.43Å; V899-R902 PolarHBondContact O-N 2.69Å; V899-L903 HydrophobicContact CG1-CD1 3.86Å; V899-L903 HydrophobicContact CG1-CG 4.48Å; V899-L903 PolarHBondContact O-N 3.02Å |
| 900 | I | 64.9 | Low | 53.3 | Low | 17 Ų | 17 | 93.9 Ų | 93.9 | 9% | 0.087 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -55.6 | -47 | 173.1 | -71.4 | 164.8 | 0 | 0 | 0 | 110.1 | A261 Y262 P896 R902 L903 T904 | A261-I900 HydrophobicContact CB-CD1 3.83Å; A261-I900 HydrophobicContact CB-CG1 4.31Å; Y262-I900 HydrophobicContact CE2-CD1 4.36Å; P896-I900 WeakPolarHBondContact O-CB 3.34Å; P896-I900 VanDerWaalsContact O-CG1 3.22Å; P896-I900 WeakPolarHBondContact O-CG1 3.33Å; P896-I900 PolarHBondContact O-N 2.91Å; I900-R902 PolarHBondContact O-N 3.45Å; I900-L903 PolarHBondContact O-N 2.59Å; I900-T904 HydrophobicContact CG2-CG2 3.86Å; I900-T904 WeakPolarHBondContact O-CB 3.28Å; I900-T904 WeakPolarHBondContact O-CG2 3.46Å; I900-T904 PolarHBondContact O-N 3.14Å; I900-T904 PolarHBondContact O-OG1 3.38Å |
| 901 | S | 66.3 | Low | 53.9 | Low | 34 Ų | 34 | 91.8 Ų | 91.8 | 24% | 0.238 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.8 | -26.4 | -176.7 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | F897 A898 V899 S907 | F897-S901 WeakPolarHBondContact O-CB 3.36Å; F897-S901 PolarHBondContact O-N 3.48Å; F897-S901 PolarHBondContact O-OG 3.29Å; A898-S901 PolarHBondContact O-N 3.17Å; V899-S901 VanDerWaalsContact C-N 3.3Å; V899-S901 PolarHBondContact O-N 3.43Å; S901-S907 WeakPolarHBondContact O-CB 3.24Å; S901-S907 PolarHBondContact O-N 3.39Å; S901-S907 VanDerWaalsContact O-N 3.14Å |
| 902 | R | 68.6 | Low | 54.3 | Low | 153 Ų | 153 | 87.9 Ų | 87.9 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -77.7 | -53.9 | 171 | -67.3 | 171.3 | -166.1 | 157.3 | 8.4 | 111.3 | E894 A898 V899 I900 T904 G905 | E894-R902 IonicContact OE1-CZ 3.26Å; E894-R902 VanDerWaalsContact OE1-CZ 3.26Å; E894-R902 IonicContact OE1-NH1 2.98Å; E894-R902 PolarHBondContact OE1-NH1 3.45Å; E894-R902 IonicContact OE1-NH2 2.68Å; E894-R902 PolarHBondContact OE1-NH2 2.89Å; E894-R902 IonicContact OE2-CZ 3.72Å; E894-R902 IonicContact OE2-NH1 2.76Å; E894-R902 PolarHBondContact OE2-NH1 2.98Å; E894-R902 IonicContact OE2-NH2 3.88Å; A898-R902 WeakPolarHBondContact O-CG 3.35Å; A898-R902 PolarHBondContact O-N 3.48Å; V899-R902 PolarHBondContact O-N 2.69Å; I900-R902 PolarHBondContact O-N 3.45Å; R902-T904 PolarHBondContact O-N 2.82Å; R902-G905 PolarHBondContact O-N 3.27Å |
| 903 | L | 57.1 | Low | 54.3 | Low | 63 Ų | 63 | 86 Ų | 86 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | -172.4 | -70.2 | 175.7 | 0 | 0 | 0 | 113.9 | E254 V258 V899 I900 | E254-L903 HydrophobicContact CB-CD1 4.04Å; E254-L903 HydrophobicContact CB-CD2 3.84Å; E254-L903 HydrophobicContact CG-CD1 4.45Å; E254-L903 HydrophobicContact CG-CD2 3.75Å; V258-L903 HydrophobicContact CG2-CB 4.3Å; V258-L903 HydrophobicContact CG2-CD1 3.73Å; V899-L903 HydrophobicContact CG1-CD1 3.86Å; V899-L903 HydrophobicContact CG1-CG 4.48Å; V899-L903 PolarHBondContact O-N 3.02Å; I900-L903 PolarHBondContact O-N 2.59Å |
| 904 | T | 63.2 | Low | 54.1 | Low | 61 Ų | 61 | 84 Ų | 84 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.7 | -177.9 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | I900 R902 L906 | I900-T904 HydrophobicContact CG2-CG2 3.86Å; I900-T904 WeakPolarHBondContact O-CB 3.28Å; I900-T904 WeakPolarHBondContact O-CG2 3.46Å; I900-T904 PolarHBondContact O-N 3.14Å; I900-T904 PolarHBondContact O-OG1 3.38Å; R902-T904 PolarHBondContact O-N 2.82Å; T904-L906 HydrophobicContact CG2-CD1 4.49Å; T904-L906 PolarHBondContact O-N 2.89Å; T904-L906 VanDerWaalsContact O-N 3.11Å; T904-L906 WeakPolarHBondContact OG1-CB 3.47Å; T904-L906 WeakPolarHBondContact OG1-CD1 3.09Å; T904-L906 WeakPolarHBondContact OG1-CG 3.31Å; T904-L906 PolarHBondContact OG1-N 3.45Å |
| 905 | G | 45.2 | Very low | 53 | Low | 44 Ų | 44 | 81.3 Ų | 81.3 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 67.9 | -1.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115 | R902 S907 N908 | R902-G905 PolarHBondContact O-N 3.27Å; G905-S907 PolarHBondContact O-N 3.05Å; G905-N908 PolarHBondContact O-N 2.85Å |
| 906 | L | 51.6 | Low | 51.7 | Low | 49 Ų | 49 | 85.4 Ų | 85.4 | 26% | 0.257 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.2 | -18.4 | -175.8 | -72 | 175.6 | 0 | 0 | 0 | 114.1 | T904 N908 L909 M910 | T904-L906 HydrophobicContact CG2-CD1 4.49Å; T904-L906 PolarHBondContact O-N 2.89Å; T904-L906 VanDerWaalsContact O-N 3.11Å; T904-L906 WeakPolarHBondContact OG1-CB 3.47Å; T904-L906 WeakPolarHBondContact OG1-CD1 3.09Å; T904-L906 WeakPolarHBondContact OG1-CG 3.31Å; T904-L906 PolarHBondContact OG1-N 3.45Å; L906-N908 PolarHBondContact O-N 3.35Å; L906-L909 HydrophobicContact CD2-CB 3.95Å; L906-L909 HydrophobicContact CD2-CD2 3.63Å; L906-L909 HydrophobicContact CD2-CG 4.39Å; L906-L909 PolarHBondContact O-N 3.13Å; L906-M910 HydrophobicContact CB-CG 4.46Å; L906-M910 PolarHBondContact O-N 3.24Å |
| 907 | S | 44.8 | Very low | 50.4 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 43% | 0.427 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -52.2 | -23.7 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 114.4 | S901 G905 K911 | S901-S907 WeakPolarHBondContact O-CB 3.24Å; S901-S907 PolarHBondContact O-N 3.39Å; S901-S907 VanDerWaalsContact O-N 3.14Å; G905-S907 PolarHBondContact O-N 3.05Å; S907-K911 WeakPolarHBondContact O-CD 3.1Å; S907-K911 WeakPolarHBondContact O-CE 3.34Å; S907-K911 PolarHBondContact O-NZ 3.36Å |
| 908 | N | 44.8 | Very low | 48.9 | Very low | 121 Ų | 121 | 84.7 Ų | 84.7 | 65% | 0.647 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -99.3 | -23.1 | 172.5 | -72.7 | -22.4 | 0 | 0 | 0 | 113.8 | G905 L906 | G905-N908 PolarHBondContact O-N 2.85Å; L906-N908 PolarHBondContact O-N 3.35Å |
| 909 | L | 40.5 | Very low | 47 | Very low | 110 Ų | 110 | 88.9 Ų | 88.9 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -83.6 | -40.7 | -178.9 | -162.1 | 67.1 | 0 | 0 | 0 | 112.3 | L906 K911 N912 | L906-L909 HydrophobicContact CD2-CB 3.95Å; L906-L909 HydrophobicContact CD2-CD2 3.63Å; L906-L909 HydrophobicContact CD2-CG 4.39Å; L906-L909 PolarHBondContact O-N 3.13Å; L909-K911 PolarHBondContact O-N 2.83Å; L909-K911 VanDerWaalsContact O-N 3.12Å; L909-N912 PolarHBondContact O-N 3.22Å |
| 910 | M | 44 | Very low | 45.4 | Very low | 132 Ų | 132 | 94.7 Ų | 94.7 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -67 | -11.3 | 179.9 | -70.4 | -173.8 | 69.9 | 0 | 0 | 114.3 | L906 N912 | L906-M910 HydrophobicContact CB-CG 4.46Å; L906-M910 PolarHBondContact O-N 3.24Å; M910-N912 VanDerWaalsContact C-N 3.34Å |
| 911 | K | 45.6 | Very low | 43.8 | Very low | 148 Ų | 148 | 99.4 Ų | 99.4 | 64% | 0.643 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -80.8 | -10.9 | 176.3 | -71.9 | 175.7 | -178.8 | 132.3 | 0 | 114.1 | S907 L909 | S907-K911 WeakPolarHBondContact O-CD 3.1Å; S907-K911 WeakPolarHBondContact O-CE 3.34Å; S907-K911 PolarHBondContact O-NZ 3.36Å; L909-K911 PolarHBondContact O-N 2.83Å; L909-K911 VanDerWaalsContact O-N 3.12Å |
| 912 | N | 42.4 | Very low | 41.9 | Very low | 116 Ų | 116 | 105.5 Ų | 105.5 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -114.4 | 13.5 | -173.9 | -72.2 | -45.2 | 0 | 0 | 0 | 114.2 | L909 M910 P914 | L909-N912 PolarHBondContact O-N 3.22Å; M910-N912 VanDerWaalsContact C-N 3.34Å; N912-P914 WeakPolarHBondContact O-CD 3.09Å |
| 913 | I | 40.1 | Very low | 40 | Very low | 121 Ų | 121 | 104.2 Ų | 104.2 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | trans | -106 | 101.8 | 174.8 | -56.4 | 178.1 | 0 | 0 | 0 | 109.2 | A915 | I913-A915 PolarHBondContact O-N 3.34Š| ||
| 914 | P | 37.8 | Very low | 38.6 | Very low | 117 Ų | 117 | 107.9 Ų | 107.9 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | trans | -73.6 | 110.2 | 160.4 | 30.9 | -29.7 | 0 | 0 | 0 | 107.5 | N912 | N912-P914 WeakPolarHBondContact O-CD 3.09Š| ||
| 915 | A | 34.5 | Very low | 37.1 | Very low | 50 Ų | 50 | 111.6 Ų | 111.6 | 41% | 0.413 | 64% | 0.64 | S | S | . | * | trans | -79.5 | 178 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | I913 N1382 | I913-A915 PolarHBondContact O-N 3.34Å; A915-N1382 VanDerWaalsContact C-ND2 3.29Å; A915-N1382 VanDerWaalsContact CB-ND2 3.32Å; A915-N1382 WeakPolarHBondContact CB-ND2 3.41Å; A915-N1382 WeakPolarHBondContact CB-OD1 3.31Å; A915-N1382 PolarHBondContact N-OD1 2.93Å; A915-N1382 VanDerWaalsContact N-OD1 3.15Å; A915-N1382 WeakPolarHBondContact O-CB 3.25Å; A915-N1382 PolarHBondContact O-ND2 3.15Å; A915-N1382 PolarHBondContact O-OD1 3.31Å | ||
| 916 | Q | 35.1 | Very low | 36.2 | Very low | 172 Ų | 172 | 114.3 Ų | 114.3 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -149 | 141.8 | 155.9 | -98.8 | -173.2 | 2.5 | 0 | 0 | 107.5 | N1382 | Q916-N1382 HydrophobicContact CG-CB 4.29Š| ||
| 917 | S | 31.9 | Very low | 35.3 | Very low | 41 Ų | 41 | 117.5 Ų | 117.5 | 29% | 0.287 | 68% | 0.675 | S | S | . | * | trans | -99 | 139 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | P1381 | S917-P1381 VanDerWaalsContact OG-CD 3.26Å; S917-P1381 WeakPolarHBondContact OG-CD 3.45Å; S917-P1381 WeakPolarHBondContact OG-CG 3.17Å | ||
| 918 | N | 32.9 | Very low | 34.6 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 55% | 0.551 | 69% | 0.693 | S | S | * | * | -171.2 | 142.1 | 96.2 | -88.9 | -40.9 | 0 | 0 | 0 | 110.6 | |||||
| 919 | P | 30.3 | Very low | 34 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | trans | -87.9 | 127.4 | -179.1 | 33.3 | -32 | 0 | 0 | 0 | 111.6 | ||||
| 920 | I | 32.3 | Very low | 33.5 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 80% | 0.795 | 70% | 0.701 | S | S | * | * | trans | -132.8 | 126 | 167.6 | -67.8 | -174.7 | 0 | 0 | 0 | 110.5 | ||||
| 921 | T | 31.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | -2.5 | 128 | 167.9 | 57.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 922 | L | 25.3 | Very low | 32.2 | Very low | 161 Ų | 161 | 118.1 Ų | 118.1 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | 28.3 | 117.4 | 124.6 | -59 | 171.5 | 0 | 0 | 0 | 118.7 | |||||
| 923 | S | 29.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | trans | -164.3 | 147.4 | 130.9 | -85.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 924 | V | 26.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | trans | -94.5 | 121.3 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 925 | T | 32 | Very low | 30.9 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | trans | -171.3 | 144.8 | 140 | 7.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 926 | S | 25.8 | Very low | 30.7 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -112.5 | 144.5 | 162.6 | 174.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 927 | P | 33.4 | Very low | 30.3 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -138.4 | 137.1 | 131.4 | 35.2 | -22.9 | 0 | 0 | 0 | 113.9 | ||||
| 928 | V | 30.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -81.2 | 142.8 | 161.9 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 929 | P | 32 | Very low | 30 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | -146.9 | 147.5 | 125.7 | 38.5 | -24.6 | 0 | 0 | 0 | 115 | |||||
| 930 | S | 28.8 | Very low | 30.1 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | 46.5 | 144.7 | 137.2 | 73.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 931 | S | 32.8 | Very low | 30.1 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | cis | -161 | 158.6 | 30.8 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 932 | N | 29.6 | Very low | 30 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -73 | 156.6 | 154.2 | -66 | -24.3 | 0 | 0 | 0 | 110.2 | ||||
| 933 | P | 37.4 | Very low | 30.1 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | -118.4 | 155.5 | 99.6 | -9.7 | 30.3 | 0 | 0 | 0 | 113.4 | |||||
| 934 | V | 28.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | cis | 71.8 | 129.3 | 37.7 | 165 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 935 | L | 27.2 | Very low | 30.3 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | cis | -169.4 | -166.6 | -5.5 | -171.6 | 67.1 | 0 | 0 | 0 | 107.5 | ||||
| 936 | E | 30.2 | Very low | 30.2 | Very low | 161 Ų | 161 | 122 Ų | 122 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | 78.6 | 116.4 | 158.6 | -60.1 | 172.4 | 171.4 | 0 | 0 | 115.6 | ||||
| 937 | S | 26.3 | Very low | 30.3 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | cis | 87.6 | 172.4 | 28.4 | 94 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 938 | V | 29.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | trans | 97.2 | 85.2 | 172.8 | -171.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 939 | H | 30.5 | Very low | 30 | Very low | 157 Ų | 157 | 122.1 Ų | 122.1 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | 85.4 | 154 | 119.8 | -91.1 | -101 | 0 | 0 | 0 | 125.8 | |||||
| 940 | D | 31 | Very low | 30 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | trans | 79.3 | 139.7 | 137.6 | -76 | -9.9 | 0 | 0 | 0 | 123.6 | ||||
| 941 | T | 31.9 | Very low | 30.2 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 64% | 0.638 | 72% | 0.724 | S | S | * | * | cis | -160.2 | 159.6 | -26.2 | -14.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 942 | T | 29.7 | Very low | 30.1 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | 67.6 | 131.4 | 148.3 | 40.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 943 | S | 27.5 | Very low | 30 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 67.8 | 138.6 | 140.9 | -51.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 944 | T | 32.8 | Very low | 29.5 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | cis | -163.3 | 109 | 46.9 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 945 | T | 28.9 | Very low | 29.5 | Very low | 112 Ų | 112 | 121.8 Ų | 121.8 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | 91.9 | 139.3 | 93 | -58.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 946 | I | 29 | Very low | 29.4 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | 70.3 | 135 | 172.4 | -77.7 | 159 | 0 | 0 | 0 | 116.1 | ||||
| 947 | T | 28.9 | Very low | 29.3 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | cis | 167.7 | 144.9 | -43.3 | 36.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 948 | T | 27.9 | Very low | 29.3 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | cis | -163.5 | 179 | 10.3 | 3.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 949 | T | 28.9 | Very low | 29 | Very low | 111 Ų | 111 | 122 Ų | 122 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | cis | -153.6 | 146.2 | 3.2 | 25.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 950 | T | 32.2 | Very low | 28.8 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | 55.4 | 146.2 | 63 | 65.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 951 | P | 33.9 | Very low | 28.6 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 72% | 0.721 | 71% | 0.708 | S | S | * | * | cis | -101.8 | 165 | 4.5 | 22.2 | -0.5 | 0 | 0 | 0 | 112.5 | ||||
| 952 | T | 29.5 | Very low | 28.3 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | 53.1 | 140.8 | 61.2 | 50.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 953 | T | 27.2 | Very low | 28.2 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | cis | -161 | 164.1 | 9.5 | -6.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 954 | A | 27.3 | Very low | 28.1 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | 70.8 | 158.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 955 | T | 28.8 | Very low | 27.9 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 76% | 0.761 | 71% | 0.705 | S | S | * | * | trans | -47.4 | 150.3 | 171.4 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 956 | D | 26.1 | Very low | 28 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 51% | 0.508 | 71% | 0.709 | S | S | . | * | -169.9 | -174.6 | 73.6 | -132.6 | -46.5 | 0 | 0 | 0 | 116.2 | L1255 | D956-L1255 HydrophobicContact CB-CD2 3.77Å; D956-L1255 WeakPolarHBondContact OD2-CD2 2.96Å | |||
| 957 | L | 27.4 | Very low | 28.1 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | trans | -24.3 | 142.8 | 174.3 | -72.6 | 152.1 | 0 | 0 | 0 | 122.1 | ||||
| 958 | C | 25.6 | Very low | 28.3 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | 70 | 123.4 | 132.7 | -71.6 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 959 | W | 24.3 | Very low | 28.4 | Very low | 229 Ų | 229 | 128.1 Ų | 128.1 | 87% | 0.867 | 71% | 0.706 | S | S | * | * | 81.8 | 100.5 | 128.1 | -67.8 | 23.5 | 0 | 0 | 0 | 121.3 | |||||
| 960 | K | 25.8 | Very low | 28.3 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | 80.1 | 130.8 | 107 | -146.7 | -167 | -179.6 | 177.6 | 0 | 120.9 | |||||
| 961 | T | 26.6 | Very low | 28.1 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | trans | 81.2 | 133.3 | 146 | 26.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 962 | N | 25.9 | Very low | 27.8 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | 94.7 | 108.5 | 129.7 | -76.6 | -4.5 | 0 | 0 | 0 | 123.8 | |||||
| 963 | H | 27.1 | Very low | 27.7 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | 83.5 | 136.3 | 116.5 | -90.5 | -57.5 | 0 | 0 | 0 | 123.9 | |||||
| 964 | L | 26.5 | Very low | 28 | Very low | 135 Ų | 135 | 128 Ų | 128 | 71% | 0.707 | 70% | 0.704 | S | S | * | * | trans | 72.8 | 154.8 | 144.7 | -61.7 | 165.4 | 0 | 0 | 0 | 116.7 | ||||
| 965 | M | 27.5 | Very low | 28 | Very low | 142 Ų | 142 | 130 Ų | 130 | 70% | 0.7 | 70% | 0.702 | S | S | * | * | cis | -153 | -169.9 | 1.5 | -143.3 | 149 | 179.2 | 0 | 0 | 111.8 | ||||
| 966 | N | 31.1 | Very low | 28.2 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | 78.3 | 95.1 | 170.2 | -46.8 | -27.5 | 0 | 0 | 0 | 113.7 | ||||
| 967 | D | 30.8 | Very low | 28.2 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | cis | 61.1 | 132.9 | 36.8 | -137.6 | 48.2 | 0 | 0 | 0 | 111.3 | ||||
| 968 | P | 33.7 | Very low | 28.4 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | -152.3 | 170.5 | 80.3 | 39.8 | -20.4 | 0 | 0 | 0 | 118 | |||||
| 969 | L | 29.7 | Very low | 28.4 | Very low | 141 Ų | 141 | 143 Ų | 143 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 83.5 | 131 | 160 | -42.7 | -176.2 | 0 | 0 | 0 | 117.2 | ||||
| 970 | L | 27.5 | Very low | 28.6 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | cis | -161.4 | 159.3 | -6.5 | -119.4 | 175.9 | 0 | 0 | 0 | 111.7 | ||||
| 971 | L | 28.2 | Very low | 28.5 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 68.8 | 99.9 | 164.4 | -59 | 164 | 0 | 0 | 0 | 116.1 | ||||
| 972 | S | 26.7 | Very low | 28.4 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | 80.2 | 145.7 | 64.2 | 76.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 973 | S | 28.3 | Very low | 28.3 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -161.6 | 169.3 | 3.6 | -152.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 974 | S | 32.1 | Very low | 28.4 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | cis | -145.8 | 146.4 | 1 | -33.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 975 | N | 28.1 | Very low | 28.3 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | 57.5 | 114 | 69.2 | -64.3 | 8.1 | 0 | 0 | 0 | 116.3 | |||||
| 976 | N | 32.6 | Very low | 28.2 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | 166.2 | 95.8 | 124.3 | -78.4 | -15.1 | 0 | 0 | 0 | 107.3 | |||||
| 977 | D | 27.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | 51.5 | 118.2 | 86.7 | -81.1 | -45.2 | 0 | 0 | 0 | 115 | |||||
| 978 | F | 30.8 | Very low | 27.7 | Very low | 209 Ų | 209 | 134.5 Ų | 134.5 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | -170.3 | 149.2 | 119.9 | -107.5 | -70.1 | 0 | 0 | 0 | 112.3 | |||||
| 979 | K | 26.7 | Very low | 27.2 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -68 | 139.5 | 166.6 | -68.1 | 175 | 176.7 | 175.3 | 0 | 110.4 | ||||
| 980 | S | 27.3 | Very low | 27.1 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -153.1 | 144.6 | 138.7 | -160 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 981 | I | 23.9 | Very low | 27 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -69.7 | 139.3 | 153.7 | -63.4 | 158 | 0 | 0 | 0 | 107.1 | ||||
| 982 | V | 25 | Very low | 27.1 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -174.3 | 145 | 149.4 | 132.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 983 | C | 23.7 | Very low | 27 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -82.2 | 143 | 171 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 984 | V | 28 | Very low | 26.9 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | trans | -120.6 | 63.8 | 152.6 | -168.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 985 | Q | 26.4 | Very low | 26.6 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | trans | -82.6 | 159.3 | 151 | 166.8 | 59.8 | 14.6 | 0 | 0 | 107.4 | ||||
| 986 | E | 24.3 | Very low | 26.5 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | 63.8 | 114 | 176.6 | -91.9 | 111.1 | -124 | 0 | 0 | 115.8 | ||||
| 987 | A | 25.5 | Very low | 26.2 | Very low | 85 Ų | 85 | 135.8 Ų | 135.8 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | 91.8 | 166.8 | 99.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 988 | I | 25 | Very low | 26.2 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | cis | -137.4 | 122.9 | 31.6 | -70.8 | 169.1 | 0 | 0 | 0 | 111.1 | ||||
| 989 | T | 24.4 | Very low | 26.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | 35.2 | 119.2 | 128 | -39.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 990 | T | 27.9 | Very low | 26.1 | Very low | 115 Ų | 115 | 129 Ų | 129 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 26 | 117.5 | 137.4 | -43.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 991 | N | 25 | Very low | 26.2 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | -153.3 | 116.5 | 127.4 | -97.8 | -41.8 | 0 | 0 | 0 | 111.3 | |||||
| 992 | A | 29.7 | Very low | 26.5 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -84.1 | 137.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 993 | I | 24.6 | Very low | 26.8 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -144.7 | 131.6 | 156.6 | -100.8 | 149.8 | 0 | 0 | 0 | 107.8 | ||||
| 994 | I | 27.1 | Very low | 27.3 | Very low | 156 Ų | 156 | 127 Ų | 127 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | -83.3 | 121.7 | 170.7 | -62.4 | 164 | 0 | 0 | 0 | 106.9 | T996 | I994-T996 HydrophobicContact CG2-CG2 4.26Š| ||
| 995 | T | 25.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | -128 | 93.8 | 163.2 | -53.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 996 | T | 25.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -70.9 | 123.4 | 164.7 | 46.6 | 0 | 0 | 0 | 0 | 110.2 | I994 | I994-T996 HydrophobicContact CG2-CG2 4.26Š| ||
| 997 | T | 28.1 | Very low | 28.1 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | -122.5 | 94.9 | 161.2 | 25.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 998 | T | 25.4 | Very low | 28.5 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | -72.4 | 129.2 | 173 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 999 | T | 29.4 | Very low | 28.7 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -140.4 | 81.8 | 152.3 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1000 | N | 26.3 | Very low | 29.1 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 49.2 | 148.5 | 135.1 | -62.5 | -9 | 0 | 0 | 0 | 123.5 | ||||
| 1001 | A | 30.6 | Very low | 29.2 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | 81 | 132.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1002 | S | 30.1 | Very low | 29.4 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -169.6 | 136.3 | -15.5 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1003 | N | 30.8 | Very low | 29.4 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 65.6 | 147.5 | 151.8 | -54.8 | -7.9 | 0 | 0 | 0 | 117.1 | ||||
| 1004 | N | 33.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | cis | -160.2 | 143.8 | 0.9 | -122.5 | -3.4 | 0 | 0 | 0 | 111.7 | ||||
| 1005 | S | 32.3 | Very low | 29.8 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 157.1 | 159.7 | 69.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1006 | Y | 32.2 | Very low | 30 | Very low | 214 Ų | 214 | 141.7 Ų | 141.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | cis | -171.5 | 160.2 | -14.5 | -108.2 | -174.6 | 0 | 0 | 0 | 107 | ||||
| 1007 | I | 31 | Very low | 30.1 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | cis | -154.4 | 151.7 | -18 | -155 | 165.9 | 0 | 0 | 0 | 107.3 | ||||
| 1008 | P | 34.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | trans | -129.6 | 179.7 | -150.3 | 45.1 | -32.8 | 0 | 0 | 0 | 118.4 | ||||
| 1009 | C | 28.7 | Very low | 30.4 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 72.4 | 129.4 | 148.9 | -73.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1010 | V | 33.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -133.6 | 112.8 | 140 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1011 | K | 29.2 | Very low | 30.8 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | trans | -126.3 | 135.9 | 156.9 | -86.3 | -168.8 | 174.5 | -174.2 | 0 | 107.2 | ||||
| 1012 | R | 29.5 | Very low | 30.9 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -102.5 | 106.8 | -174.8 | -163 | 179.1 | -166 | -177.7 | 6.5 | 111.3 | ||||
| 1013 | S | 30.3 | Very low | 31.1 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -109.2 | 170.1 | 159.6 | -164.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1014 | R | 30.6 | Very low | 31.2 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -118.6 | 164.4 | 178 | -71.8 | -168.5 | -177.5 | -166.8 | 3.4 | 111.5 | ||||
| 1015 | F | 28.3 | Very low | 31.2 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 72.5 | 145.2 | -178.5 | -55.8 | -83.2 | 0 | 0 | 0 | 113.2 | ||||
| 1016 | S | 29.7 | Very low | 31.3 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | -147.7 | 157.7 | 21.1 | -133.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1017 | D | 28.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 65.9 | 160.4 | 146.4 | -55.1 | -43.5 | 0 | 0 | 0 | 123.4 | ||||
| 1018 | A | 29.6 | Very low | 31.2 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -117.8 | 178.9 | -157.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1019 | I | 30.4 | Very low | 31.1 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -179.6 | 131.2 | 131.7 | -95.2 | 155.7 | 0 | 0 | 0 | 111.9 | ||||
| 1020 | N | 29.7 | Very low | 31.4 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 58.6 | 162 | 163.5 | -64.7 | -0.1 | 0 | 0 | 0 | 118 | ||||
| 1021 | V | 32.8 | Very low | 31.1 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | cis | -134.5 | 124.7 | 20 | 171.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1022 | E | 32.8 | Very low | 31 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | 43.6 | 143.8 | 142.8 | -60.2 | -170.2 | 176.1 | 0 | 0 | 126.9 | ||||
| 1023 | N | 34.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | trans | 88.2 | 99.2 | 137.8 | -69.9 | -24.7 | 0 | 0 | 0 | 123.3 | ||||
| 1024 | N | 34.2 | Very low | 30.6 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 63% | 0.631 | 72% | 0.722 | S | S | * | * | 89 | 97.7 | 118 | -61.3 | -18.9 | 0 | 0 | 0 | 122.4 | |||||
| 1025 | N | 32.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | 100.4 | 134.9 | 113.2 | -69 | -8.7 | 0 | 0 | 0 | 123 | |||||
| 1026 | H | 35.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 123.3 Ų | 123.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | 87.3 | 91.7 | 141.4 | -85.8 | -59.7 | 0 | 0 | 0 | 123.6 | ||||
| 1027 | T | 28.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | 82.7 | 145.5 | 124 | -4.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1028 | T | 32 | Very low | 30 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | trans | 62.7 | 118.4 | 155.3 | 29.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1029 | V | 31 | Very low | 29.8 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | cis | 65.6 | 124.9 | 33.5 | -166.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1030 | P | 36.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 122 Ų | 122 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | cis | -140.7 | -174.5 | -20.5 | 41 | -23.6 | 0 | 0 | 0 | 116 | ||||
| 1031 | S | 27.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | 82.5 | 155.4 | 139.9 | 78.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1032 | S | 26.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | 86.1 | 113.8 | 157.4 | 74 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1033 | S | 26 | Very low | 29.6 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | trans | 56.7 | 123.2 | 131.2 | 62.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1034 | T | 26.3 | Very low | 29.3 | Very low | 114 Ų | 114 | 121 Ų | 121 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | 72.9 | 124.5 | 130.6 | 54.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1035 | N | 26.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 80.5 | 137.2 | 133.2 | -65.2 | -7.3 | 0 | 0 | 0 | 121.7 | ||||
| 1036 | N | 25.8 | Very low | 28.9 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | 82.9 | 119.9 | 137.7 | -77.2 | -1.7 | 0 | 0 | 0 | 121.8 | ||||
| 1037 | V | 25.9 | Very low | 28.6 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | 86.3 | 118.7 | 119.5 | 166.5 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1038 | L | 25.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 119.6 Ų | 119.6 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | trans | 61.5 | 160.3 | 154.8 | -87.5 | 36 | 0 | 0 | 0 | 117.2 | ||||
| 1039 | S | 25.4 | Very low | 28.4 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 57% | 0.566 | 73% | 0.727 | S | S | * | * | cis | -173.8 | 177.2 | -30.8 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1040 | T | 28.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | 66.3 | 158.2 | 158.1 | 45.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1041 | T | 32.4 | Very low | 28.4 | Very low | 134 Ų | 134 | 121 Ų | 121 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | cis | -126.6 | 161.4 | 22.2 | 38 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1042 | N | 28 | Very low | 28.3 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | -79.6 | 159.2 | 178.7 | -43.9 | -59.1 | 0 | 0 | 0 | 112 | ||||
| 1043 | V | 32.9 | Very low | 28.3 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 93% | 0.927 | 73% | 0.729 | S | S | * | * | trans | -125.1 | 107.5 | 139.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1044 | T | 28.7 | Very low | 28.5 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | trans | -81.8 | 154 | 177.9 | -45.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1045 | I | 30.8 | Very low | 28.4 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | trans | -171.1 | 106.5 | 137.7 | -99.7 | 150.8 | 0 | 0 | 0 | 108.3 | ||||
| 1046 | L | 28.5 | Very low | 28.5 | Very low | 140 Ų | 140 | 122 Ų | 122 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | 61.2 | 132.8 | 107.6 | -56.3 | 174.2 | 0 | 0 | 0 | 114.5 | |||||
| 1047 | S | 27.5 | Very low | 28.4 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | cis | -163.1 | 166.6 | 3.2 | -108.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1048 | C | 25.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | trans | -3.8 | 148.5 | 150.4 | -43.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1049 | T | 31.6 | Very low | 28.3 | Very low | 134 Ų | 134 | 120 Ų | 120 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | -160.5 | 147.2 | 52 | 46 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1050 | T | 30.6 | Very low | 28.2 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -76 | -178.2 | 155.4 | 46.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1051 | P | 36.3 | Very low | 28.1 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -113.8 | -134.6 | 1.1 | 32.1 | -9.3 | 0 | 0 | 0 | 112.1 | ||||
| 1052 | T | 26.5 | Very low | 27.8 | Very low | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | cis | -159.6 | 175.8 | 20.5 | -25.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1053 | A | 26.6 | Very low | 28 | Very low | 78 Ų | 78 | 120.1 Ų | 120.1 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | trans | -52.1 | 169.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1054 | T | 29.8 | Very low | 27.8 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | cis | -158.6 | 148.6 | 46.6 | -46.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1055 | T | 24 | Very low | 28 | Very low | 117 Ų | 117 | 118 Ų | 118 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | -51.8 | 132 | 168.4 | -46 | 0 | 0 | 0 | 0 | 116 | ||||
| 1056 | T | 27.9 | Very low | 28.1 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -177 | 124.3 | 133.7 | 31.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1057 | T | 24.2 | Very low | 28.1 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | 58.9 | 152.3 | 58.7 | 66.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1058 | I | 24.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 120.4 Ų | 120.4 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | trans | 88.8 | 89.4 | 175.1 | -50.6 | 174.3 | 0 | 0 | 0 | 116.3 | ||||
| 1059 | S | 23.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 53.6 | 151.9 | 119.6 | -47.5 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1060 | S | 24.6 | Very low | 28.1 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 69.8 | 157.4 | 158 | 15.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1061 | S | 25.5 | Very low | 27.9 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | cis | -155.1 | 149.9 | -6.7 | 38.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1062 | S | 25.8 | Very low | 27.5 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -45.9 | 130.4 | 163.1 | 50.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1063 | T | 32.5 | Very low | 27.7 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -147.9 | 133.1 | 139.4 | 45.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1064 | S | 28.4 | Very low | 27.8 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | 73.7 | 80.4 | 16.8 | -161.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 1065 | S | 34.1 | Very low | 28 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -166 | 144.9 | 152.7 | -70.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1066 | D | 31.2 | Very low | 28.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | cis | -161 | 166.8 | -25.4 | -116.3 | -45.1 | 0 | 0 | 0 | 110.4 | ||||
| 1067 | L | 28.5 | Very low | 28.5 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 17 | 131.2 | 150.8 | -56.5 | 168.2 | 0 | 0 | 0 | 118.5 | ||||
| 1068 | L | 33.3 | Very low | 28.6 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | -151.6 | 170.5 | 66.9 | -90.8 | 170.2 | 0 | 0 | 0 | 115 | |||||
| 1069 | R | 24.2 | Very low | 28.9 | Very low | 211 Ų | 211 | 132.4 Ų | 132.4 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -143 | 116.5 | -156.3 | 169.1 | -166.9 | 174.4 | -162.8 | 1.5 | 112.8 | ||||
| 1070 | C | 28.8 | Very low | 29.2 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -158.9 | 119.7 | 153.8 | -86.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1071 | S | 25.7 | Very low | 29.5 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 56% | 0.559 | 77% | 0.77 | S | S | * | * | cis | 66.5 | 129.7 | 25.3 | -51.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1072 | I | 28.3 | Very low | 29.6 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 74.9 | 134.9 | 173.3 | -55.2 | 156 | 0 | 0 | 0 | 111.1 | ||||
| 1073 | D | 30.7 | Very low | 29.8 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | cis | -137.9 | 166.2 | 30.8 | -155.6 | 3.3 | 0 | 0 | 0 | 115.2 | K1075 | D1073-K1075 IonicContact OD2-NZ 3.33Å; D1073-K1075 PolarHBondContact OD2-NZ 3.05Å | ||
| 1074 | K | 28.6 | Very low | 29.5 | Very low | 194 Ų | 194 | 136 Ų | 136 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -103.4 | 126.5 | 168.7 | -70.8 | -179.9 | 178.7 | 178.6 | 0 | 110.6 | ||||
| 1075 | K | 32.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 136 Ų | 136 | 74% | 0.735 | 77% | 0.767 | S | S | * | * | trans | -147.6 | 108.3 | 155.9 | -93.6 | 128.5 | -171.7 | 155.7 | 0 | 108.1 | D1073 | D1073-K1075 IonicContact OD2-NZ 3.33Å; D1073-K1075 PolarHBondContact OD2-NZ 3.05Å | ||
| 1076 | S | 29.2 | Very low | 29.7 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | 75.7 | 98.2 | 65.8 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1077 | L | 33.7 | Very low | 29.5 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -156.8 | 117.1 | 141.5 | -111.8 | 159.5 | 0 | 0 | 0 | 108.4 | ||||
| 1078 | S | 26.2 | Very low | 29.6 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -124.8 | 129.5 | -172.3 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1079 | S | 31.8 | Very low | 29.4 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -147.4 | 108.2 | 164 | 52.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1080 | S | 28.6 | Very low | 29.7 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | 57.5 | 128 | 83.7 | 71.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1081 | V | 31.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -130.4 | 158.8 | 35.2 | 174.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1082 | S | 26.9 | Very low | 29.9 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -136.6 | 118 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1083 | E | 30.9 | Very low | 30.1 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -141.6 | 125.5 | 163.9 | -80.6 | 175.2 | 179.5 | 0 | 0 | 105.8 | ||||
| 1084 | T | 26.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | cis | 70.5 | 76.1 | 12.1 | 7.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1085 | S | 32.8 | Very low | 30.2 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -142.1 | 119.5 | 142.4 | -81.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1086 | I | 32.8 | Very low | 30.2 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | 67.2 | 92.4 | 74.1 | -63.9 | 166.9 | 0 | 0 | 0 | 108.4 | |||||
| 1087 | N | 27.4 | Very low | 30.1 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | 73.3 | 143.1 | 80.4 | -86.7 | -33.2 | 0 | 0 | 0 | 113.9 | |||||
| 1088 | K | 30.4 | Very low | 30 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | 75.1 | 152.5 | 176 | -58.3 | 176 | -179.6 | 178 | 0 | 115.2 | ||||
| 1089 | A | 29.5 | Very low | 30.1 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | cis | -173.4 | 163.8 | -25.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1090 | A | 31.1 | Very low | 30 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | 67.5 | 159.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1091 | H | 31 | Very low | 30.1 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | cis | -138.7 | -169.4 | -8.4 | -147.7 | -114.5 | 0 | 0 | 0 | 110.5 | ||||
| 1092 | C | 26.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 139 Ų | 139 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | -50.3 | 167.9 | 162.2 | -50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1093 | E | 32.5 | Very low | 30.4 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | cis | -153.5 | 132.6 | 48.8 | -75.1 | 177.7 | 174.6 | 0 | 0 | 109.4 | ||||
| 1094 | N | 30.6 | Very low | 30.4 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 60% | 0.599 | 74% | 0.736 | S | S | * | * | 89.4 | 136.6 | 89.6 | -64.3 | -8.8 | 0 | 0 | 0 | 113.3 | |||||
| 1095 | E | 31 | Very low | 30.8 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | 63.6 | 152.5 | 152.5 | -68.3 | 159.4 | -175 | 0 | 0 | 117.5 | ||||
| 1096 | E | 33.7 | Very low | 30.9 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | cis | -144.7 | 170 | -4 | -137.6 | 179 | 168.8 | 0 | 0 | 110.4 | ||||
| 1097 | Q | 26.8 | Very low | 30.8 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -81.8 | 153.6 | 166.8 | -68 | -159.6 | -6.9 | 0 | 0 | 110.3 | ||||
| 1098 | P | 31.8 | Very low | 31 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | -144.7 | 161.8 | 92.2 | 38.1 | -23.2 | 0 | 0 | 0 | 115.5 | |||||
| 1099 | K | 27.9 | Very low | 31 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -70.1 | 151.3 | 155.9 | -54.8 | 166.6 | -177.1 | 170.9 | 0 | 108.9 | ||||
| 1100 | F | 31.1 | Very low | 31.2 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.873 | 71% | 0.711 | S | S | * | * | -165.2 | 157.2 | 115.4 | -117.2 | -80.1 | 0 | 0 | 0 | 110.6 | |||||
| 1101 | S | 30.3 | Very low | 31.2 | Very low | 81 Ų | 81 | 133.4 Ų | 133.4 | 57% | 0.566 | 69% | 0.687 | S | S | * | * | trans | -72.3 | 145.9 | 157.7 | 53.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1102 | D | 31.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | 173.4 | 171.4 | 95.3 | -107.5 | -64.7 | 0 | 0 | 0 | 113.9 | |||||
| 1103 | L | 32.7 | Very low | 31.9 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | 50.2 | 110.9 | 159.5 | -89.5 | 77.3 | 0 | 0 | 0 | 120.9 | ||||
| 1104 | D | 31.1 | Very low | 32 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | 59.5 | 121 | 101.2 | -142 | 25 | 0 | 0 | 0 | 120.1 | |||||
| 1105 | K | 33.1 | Very low | 32.3 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 67% | 0.665 | 69% | 0.685 | S | S | * | * | trans | 83.1 | 133.4 | 141.4 | -82.3 | 170.3 | -174.8 | 78.8 | 0 | 123.5 | ||||
| 1106 | I | 34.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | 82 | 105.5 | 139.3 | -65.5 | 164.2 | 0 | 0 | 0 | 118.7 | ||||
| 1107 | N | 31.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | 45.5 | 115.2 | 133.3 | -52.7 | -3.8 | 0 | 0 | 0 | 121.4 | ||||
| 1108 | S | 31.3 | Very low | 33.1 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | 40.4 | 102.8 | 116.5 | 178.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 1109 | M | 31.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 122 Ų | 122 | 52% | 0.517 | 68% | 0.679 | S | S | . | * | trans | -173.3 | 118.4 | 143 | -105.5 | 169.8 | -164 | 0 | 0 | 109.7 | A706 Y707 | A706-M1109 WeakPolarHBondContact O-CE 3.37Å; Y707-M1109 WeakPolarHBondContact O-CE 3.39Å | ||
| 1110 | N | 34.7 | Very low | 34 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | 164.2 | 127.4 | 113.1 | -84.8 | -42 | 0 | 0 | 0 | 112.2 | E704 | E704-N1110 PolarHBondContact OE1-N 3.32Š| |||
| 1111 | S | 30.5 | Very low | 34.2 | Very low | 37 Ų | 37 | 112.3 Ų | 112.3 | 26% | 0.259 | 69% | 0.685 | S | S | . | * | trans | -58.5 | 157.3 | 163.3 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | E704 L705 | E704-S1111 PolarHBondContact OE1-N 2.84Å; E704-S1111 WeakPolarHBondContact OE2-CA 3.48Å; E704-S1111 PolarHBondContact OE2-N 3.15Å; L705-S1111 WeakPolarHBondContact CD2-OG 3.43Å | ||
| 1112 | S | 34.5 | Very low | 34.4 | Very low | 94 Ų | 94 | 111.7 Ų | 111.7 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | -174.6 | 135.6 | 111.8 | -111 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1113 | N | 36.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 113.4 Ų | 113.4 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | 72.6 | 125.4 | 141.9 | -61.4 | 36.8 | 0 | 0 | 0 | 117.2 | ||||
| 1114 | D | 34.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | 70.9 | 137.9 | 71.1 | -48.3 | -38.1 | 0 | 0 | 0 | 111.9 | |||||
| 1115 | S | 37.9 | Very low | 35.3 | Very low | 89 Ų | 89 | 112.4 Ų | 112.4 | 62% | 0.622 | 71% | 0.706 | S | S | * | * | cis | -162.5 | 159.2 | 9.4 | -136.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1116 | D | 33.6 | Very low | 35.3 | Very low | 143 Ų | 143 | 110.5 Ų | 110.5 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | trans | 65.3 | 163.3 | 141.7 | -71.6 | -54.7 | 0 | 0 | 0 | 124 | ||||
| 1117 | S | 39.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 111 Ų | 111 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | trans | 73.9 | 109.9 | 167.8 | -46.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1118 | S | 35.1 | Very low | 35.4 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | cis | 66.3 | 144.2 | 17.9 | -144.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1119 | P | 42.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 109.5 Ų | 109.5 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | cis | -136.7 | 174.5 | -15.5 | 36.6 | -18.1 | 0 | 0 | 0 | 116.1 | ||||
| 1120 | G | 35.4 | Very low | 35.7 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | 89.3 | 128.6 | 122.6 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1121 | G | 35.5 | Very low | 35.6 | Very low | 91 Ų | 91 | 114 Ų | 114 | 94% | 0.938 | 70% | 0.699 | S | S | * | * | trans | 76.6 | 150.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1122 | G | 34 | Very low | 35.6 | Very low | 67 Ų | 67 | 118.5 Ų | 118.5 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | cis | -141.4 | 179.9 | -14.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1123 | D | 39 | Very low | 35.4 | Very low | 167 Ų | 167 | 118.8 Ų | 118.8 | 89% | 0.893 | 72% | 0.715 | S | S | * | * | cis | -150.3 | 162.4 | 25.1 | -74.9 | -44.5 | 0 | 0 | 0 | 113.6 | ||||
| 1124 | T | 33.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 118 Ų | 118 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -62.2 | 165.7 | 163.7 | 39.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1125 | P | 41.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | cis | -157.9 | -177.2 | 45.1 | 45.3 | -23 | 0 | 0 | 0 | 121.2 | ||||
| 1126 | T | 34.6 | Very low | 34.1 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | 69.9 | 115.8 | 158.8 | 42.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1127 | L | 32.6 | Very low | 33.7 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | 68.1 | 136.6 | 55.2 | -56 | 170.6 | 0 | 0 | 0 | 111.1 | |||||
| 1128 | D | 34.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 54% | 0.535 | 68% | 0.681 | S | S | . | * | cis | -152.5 | 146.5 | 10.6 | -116.1 | -10.1 | 0 | 0 | 0 | 110.6 | ||||
| 1129 | E | 37.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | 61.6 | 154.7 | 93.9 | -82.9 | -171.6 | 130.7 | 0 | 0 | 115.2 | |||||
| 1130 | R | 32.5 | Very low | 32 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | cis | -160.7 | 165.8 | 22.2 | -138.7 | 169 | -158 | 115 | 14.8 | 112.6 | ||||
| 1131 | Q | 31.3 | Very low | 31.7 | Very low | 141 Ų | 141 | 114.6 Ų | 114.6 | 66% | 0.659 | 66% | 0.663 | S | S | * | * | trans | 74.4 | 149.7 | 149.1 | -126.5 | 79.1 | 40.2 | 0 | 0 | 121 | ||||
| 1132 | N | 30.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 65% | 0.647 | S | S | * | * | trans | 68.5 | 121.2 | 164.2 | -42.9 | -31.2 | 0 | 0 | 0 | 116.4 | ||||
| 1133 | D | 29.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 54% | 0.54 | 63% | 0.632 | S | S | . | * | cis | -173.3 | -165.3 | -4.6 | -88.8 | -34.9 | 0 | 0 | 0 | 105.9 | V682 | V682-D1133 HydrophobicContact CB-CB 3.65Å; V682-D1133 VanDerWaalsContact CG1-C 3.46Å; V682-D1133 HydrophobicContact CG1-CB 4.49Å; V682-D1133 WeakPolarHBondContact CG1-O 3.36Å; V682-D1133 HydrophobicContact CG2-CB 3.56Å | ||
| 1134 | L | 27.8 | Very low | 30.8 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | cis | -174.1 | -44.4 | -41.4 | -87 | 171.8 | 0 | 0 | 0 | 113.5 | V682 V683 | V682-L1134 HydrophobicContact CB-CB 4.12Å; V683-L1134 CarbonylContact O-C 3.26Å; V683-L1134 VanDerWaalsContact O-C 3.26Å | ||
| 1135 | L | 27.1 | Very low | 30.7 | Very low | 70 Ų | 70 | 115.9 Ų | 115.9 | 37% | 0.366 | 61% | 0.614 | S | S | . | * | trans | -72.1 | 157.5 | 174.5 | -73.1 | -170.1 | 0 | 0 | 0 | 107.8 | F681 V682 V683 | F681-L1135 HydrophobicContact CB-CD1 4.13Å; F681-L1135 WeakPolarHBondContact O-CB 3.37Å; F681-L1135 VanDerWaalsContact O-CD1 3.25Å; F681-L1135 WeakPolarHBondContact O-CD1 3.37Å; F681-L1135 WeakPolarHBondContact O-CG 3.45Å; V682-L1135 VanDerWaalsContact CA-CG 3.42Å; V682-L1135 VanDerWaalsContact CA-N 3.29Å; V682-L1135 HydrophobicContact CG1-CB 4.29Å; V683-L1135 HydrophobicContact CB-CD2 3.64Å; V683-L1135 HydrophobicContact CB-CG 4.42Å; V683-L1135 HydrophobicContact CG2-CD2 4.06Å; V683-L1135 WeakPolarHBondContact O-CA 3.34Å; V683-L1135 WeakPolarHBondContact O-CD2 3.36Å; V683-L1135 PolarHBondContact O-N 2.88Å | ||
| 1136 | L | 27 | Very low | 30 | Very low | 130 Ų | 130 | 115.8 Ų | 115.8 | 68% | 0.681 | 61% | 0.607 | S | S | * | * | cis | -159.1 | 168.2 | -15.1 | -113.8 | 179 | 0 | 0 | 0 | 108.1 | ||||
| 1137 | S | 24.9 | Very low | 29.7 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | -12.5 | 143.7 | 128.8 | -158 | 0 | 0 | 0 | 0 | 117 | |||||
| 1138 | G | 27.8 | Very low | 29.4 | Very low | 60 Ų | 60 | 112.7 Ų | 112.7 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | cis | -172.4 | -166.2 | 3.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1139 | N | 26.6 | Very low | 29 | Very low | 133 Ų | 133 | 117 Ų | 117 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | 54.2 | 111.5 | 93.7 | -71 | -14.5 | 0 | 0 | 0 | 114 | |||||
| 1140 | N | 27.2 | Very low | 28.5 | Very low | 138 Ų | 138 | 118.9 Ų | 118.9 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | trans | 72.7 | 146 | 146 | -53.1 | -12.7 | 0 | 0 | 0 | 115.7 | ||||
| 1141 | D | 29 | Very low | 28.4 | Very low | 98 Ų | 98 | 115.5 Ų | 115.5 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | cis | -145.1 | 161.7 | 4.4 | -124.8 | -6.9 | 0 | 0 | 0 | 112.1 | ||||
| 1142 | K | 31 | Very low | 28.2 | Very low | 140 Ų | 140 | 118 Ų | 118 | 61% | 0.609 | 63% | 0.627 | S | S | * | * | trans | 23.7 | 123.7 | 136.5 | -60.1 | 171.2 | -169.5 | 80.6 | 0 | 116.1 | ||||
| 1143 | D | 31 | Very low | 28.1 | Very low | 71 Ų | 71 | 115.3 Ų | 115.3 | 38% | 0.38 | 63% | 0.63 | S | S | . | * | -161.2 | 157.7 | 53.8 | -103.1 | -49.2 | 0 | 0 | 0 | 120.1 | T1237 A1238 | D1143-T1237 WeakPolarHBondContact CB-OG1 3.32Å; D1143-T1237 WeakPolarHBondContact OD2-CA 3.21Å; D1143-T1237 WeakPolarHBondContact OD2-CB 3.33Å; D1143-T1237 PolarHBondContact OD2-N 2.65Å; D1143-T1237 PolarHBondContact OD2-OG1 2.87Å; D1143-A1238 WeakPolarHBondContact OD1-CB 3.45Å | |||
| 1144 | R | 28.3 | Very low | 28 | Very low | 162 Ų | 162 | 115.5 Ų | 115.5 | 61% | 0.611 | 64% | 0.635 | S | S | * | * | trans | -86.6 | 166.1 | 161.3 | -90.8 | -165.5 | 172.9 | -150.6 | 4.4 | 109.8 | L1146 | R1144-L1146 HydrophobicContact CG-CB 4Å; R1144-L1146 HydrophobicContact CG-CD1 4.07Å | ||
| 1145 | P | 32.8 | Very low | 28.3 | Very low | 106 Ų | 106 | 116.2 Ų | 116.2 | 69% | 0.688 | 65% | 0.646 | S | S | * | * | cis | -122.4 | 160.3 | 27.6 | 16.9 | 7.7 | 0 | 0 | 0 | 114.6 | ||||
| 1146 | L | 26 | Very low | 28.3 | Very low | 104 Ų | 104 | 117 Ų | 117 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | cis | 56.6 | 65.4 | 8.3 | -71.4 | 177.1 | 0 | 0 | 0 | 117.1 | R1144 | R1144-L1146 HydrophobicContact CG-CB 4Å; R1144-L1146 HydrophobicContact CG-CD1 4.07Å | ||
| 1147 | I | 29.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 116 Ų | 116 | 73% | 0.728 | 66% | 0.661 | S | S | * | * | -122.1 | 95.9 | 127.1 | -57.7 | 177.4 | 0 | 0 | 0 | 104 | |||||
| 1148 | S | 24.8 | Very low | 28.4 | Very low | 52 Ų | 52 | 116.5 Ų | 116.5 | 36% | 0.364 | 67% | 0.665 | S | S | . | * | cis | 61.6 | 100.2 | 31.4 | 92.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1149 | F | 27 | Very low | 28.5 | Very low | 191 Ų | 191 | 120.8 Ų | 120.8 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | 24.1 | 121.8 | 144.2 | -62.2 | -86.2 | 0 | 0 | 0 | 118.2 | ||||
| 1150 | N | 27.4 | Very low | 28.5 | Very low | 160 Ų | 160 | 118 Ų | 118 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | -129.8 | 153.1 | 129.7 | -106.8 | -16.1 | 0 | 0 | 0 | 108.7 | |||||
| 1151 | P | 28.9 | Very low | 28.4 | Very low | 100 Ų | 100 | 116 Ų | 116 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | -125.2 | -165.3 | -126.2 | 29.5 | -8.9 | 0 | 0 | 0 | 113.4 | G1153 | P1151-G1153 PolarHBondContact O-N 2.98Š| |||
| 1152 | F | 27.5 | Very low | 28.3 | Very low | 194 Ų | 194 | 120.2 Ų | 120.2 | 85% | 0.851 | 67% | 0.672 | S | S | * | * | trans | -31.4 | 117.2 | 164.8 | -85.6 | -107.9 | 0 | 0 | 0 | 113.3 | ||||
| 1153 | G | 28.9 | Very low | 28.3 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | trans | -124.8 | 64.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P1151 | P1151-G1153 PolarHBondContact O-N 2.98Š| ||
| 1154 | T | 27.9 | Very low | 28 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 64% | 0.644 | 68% | 0.684 | S | S | * | * | trans | -63.7 | 134.7 | 168.6 | 46.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1155 | P | 33.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | -92.9 | 135.9 | 99.4 | 24 | -33.4 | 0 | 0 | 0 | 109.8 | |||||
| 1156 | S | 27.7 | Very low | 27.9 | Very low | 86 Ų | 86 | 120.6 Ų | 120.6 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | cis | 59.5 | 99.4 | 23.8 | -160.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1157 | S | 26.7 | Very low | 28 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | 64.7 | 148.9 | 144.9 | 57 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1158 | S | 27.7 | Very low | 27.8 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 70% | 0.696 | S | S | * | * | trans | 76.5 | 65.3 | 149 | -166 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1159 | L | 29 | Very low | 28.1 | Very low | 150 Ų | 150 | 125 Ų | 125 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -172.3 | 103.8 | 136.1 | -108.2 | 142.4 | 0 | 0 | 0 | 108.1 | D1161 | L1159-D1161 WeakPolarHBondContact CD2-O 3.21Š| ||
| 1160 | A | 26.8 | Very low | 28.2 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | cis | 64.8 | 96.4 | 8.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1161 | D | 26.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 51% | 0.513 | 72% | 0.717 | S | S | . | * | trans | 70.2 | 157.5 | 170 | -54.7 | -41.6 | 0 | 0 | 0 | 117.8 | Q724 L1159 | Q724-D1161 PolarHBondContact NE2-OD1 3.15Å; L1159-D1161 WeakPolarHBondContact CD2-O 3.21Å | ||
| 1162 | F | 27.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 119.2 Ų | 119.2 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 61.3 | 109.5 | -162.3 | -52.2 | -84.6 | 0 | 0 | 0 | 113.5 | ||
| 1163 | L | 29.8 | Very low | 28.5 | Very low | 151 Ų | 151 | 116.3 Ų | 116.3 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | cis | -132.5 | 111.2 | 11.9 | -70.2 | 166.8 | 0 | 0 | 0 | 111.7 | ||||
| 1164 | I | 26.2 | Very low | 28.6 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 46% | 0.456 | 72% | 0.717 | S | S | . | * | trans | -91 | 124.1 | 150 | -74.7 | -172.5 | 0 | 0 | 0 | 107.5 | Q724 N1166 | Q724-I1164 HydrophobicContact CG-CD1 4.16Å; I1164-N1166 HydrophobicContact CG2-CB 3.69Å | ||
| 1165 | P | 31.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -111.6 | 72.7 | 148.5 | -4.5 | 25.5 | 0 | 0 | 0 | 110.8 | S1167 | P1165-S1167 VanDerWaalsContact C-N 3.29Å; P1165-S1167 PolarHBondContact O-N 2.93Å | ||
| 1166 | N | 25.9 | Very low | 28.6 | Very low | 129 Ų | 129 | 125 Ų | 125 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 88.9 | 157.3 | -82.4 | -29.6 | 0 | 0 | 0 | 108.1 | I1164 | I1164-N1166 HydrophobicContact CG2-CB 3.69Š| ||
| 1167 | S | 28.2 | Very low | 28.7 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -170.5 | 127 | 141 | -152.8 | 0 | 0 | 0 | 0 | 112.9 | P1165 | P1165-S1167 VanDerWaalsContact C-N 3.29Å; P1165-S1167 PolarHBondContact O-N 2.93Å | ||
| 1168 | C | 25.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 129 Ų | 129 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | trans | 19.3 | 149.4 | 142.5 | -56.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1169 | H | 31.2 | Very low | 29.1 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 89% | 0.889 | 74% | 0.742 | S | S | * | * | trans | 73.3 | 116.8 | 174.4 | -44.1 | -79.1 | 0 | 0 | 0 | 114.5 | ||||
| 1170 | G | 28.6 | Very low | 29.3 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | cis | 112.5 | 80.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1171 | T | 31.4 | Very low | 29.7 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -149.7 | 111.1 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1172 | D | 29.8 | Very low | 29.8 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | 32.7 | 112.5 | 145.1 | -159.1 | 12.9 | 0 | 0 | 0 | 121.9 | K1174 | D1172-K1174 PolarHBondContact O-N 2.88Å; D1172-K1174 WeakPolarHBondContact OD1-CB 3.46Å; D1172-K1174 WeakPolarHBondContact OD1-CG 3.37Å | ||
| 1173 | P | 28.3 | Very low | 30 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -87.5 | 61.7 | 170.7 | 37.3 | -35 | 0 | 0 | 0 | 113 | ||
| 1174 | K | 31.9 | Very low | 30.1 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -132.1 | 36.3 | -177.1 | -77.9 | -171.5 | 172.6 | -180 | 0 | 116.6 | D1172 | D1172-K1174 PolarHBondContact O-N 2.88Å; D1172-K1174 WeakPolarHBondContact OD1-CB 3.46Å; D1172-K1174 WeakPolarHBondContact OD1-CG 3.37Å | ||
| 1175 | S | 31.2 | Very low | 30.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -147.8 | 42.2 | -178.3 | 71.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1176 | F | 30.4 | Very low | 30.2 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -140.3 | 19.8 | 172.7 | -102.5 | -70.2 | 0 | 0 | 0 | 117 | ||
| 1177 | L | 28.1 | Very low | 30.3 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | trans | -126.4 | 79.5 | 170.1 | -73.8 | 177.2 | 0 | 0 | 0 | 112 | ||||
| 1178 | S | 31.1 | Very low | 30.3 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -149.4 | 167.1 | 155.9 | 77.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1179 | N | 32.2 | Very low | 30.3 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 78.7 | 53.8 | 171.3 | -51.1 | -10.5 | 0 | 0 | 0 | 117.4 | ||||
| 1180 | I | 33.2 | Very low | 30.2 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -84.9 | 136.6 | 144 | -61.7 | 171 | 0 | 0 | 0 | 108.3 | ||||
| 1181 | P | 34.6 | Very low | 30.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -107.9 | 112.3 | 159.4 | 33.4 | -23.4 | 0 | 0 | 0 | 111.3 | ||||
| 1182 | H | 29.8 | Very low | 30.1 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -73.7 | 155.5 | 168.5 | -62.5 | -88.5 | 0 | 0 | 0 | 111.3 | ||||
| 1183 | S | 30.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 169.4 | 170.4 | 114.4 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1184 | I | 31.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 98.7 | 122.6 | 165.5 | -55.4 | 179.2 | 0 | 0 | 0 | 115.7 | ||||
| 1185 | I | 28.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -118.5 | 143.2 | -171.3 | -64.7 | 156.6 | 0 | 0 | 0 | 107.5 | ||||
| 1186 | S | 31.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 158.7 | 153 | 146.4 | -81.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1187 | Q | 27.4 | Very low | 30.6 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | -169.8 | 163.5 | -26.8 | -121.6 | -176.9 | 49.9 | 0 | 0 | 106.8 | ||||
| 1188 | T | 29.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | 62.3 | 156.8 | 165.4 | 54.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1189 | S | 25.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -171.8 | -174.3 | -32.1 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1190 | I | 29.6 | Very low | 30 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 79.6 | 75.4 | 159.7 | -58.8 | 155.7 | 0 | 0 | 0 | 117.3 | ||||
| 1191 | T | 26.8 | Very low | 29.9 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 67.5 | 153.3 | 128.3 | 54.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1192 | P | 31 | Very low | 29.4 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | trans | -124.2 | -175.6 | -168.6 | 44 | -28.8 | 0 | 0 | 0 | 115.5 | ||||
| 1193 | S | 30.6 | Very low | 29.4 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 73.9 | 167.2 | 158.3 | -60.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1194 | P | 34.6 | Very low | 29.5 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | -131 | 172.6 | 7.4 | 42.6 | -27 | 0 | 0 | 0 | 117.5 | ||||
| 1195 | I | 39.4 | Very low | 29.6 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 144.4 | 164 | -59.1 | 158 | 0 | 0 | 0 | 109.9 | ||||
| 1196 | P | 29.4 | Very low | 29.4 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | trans | -110.8 | 113.2 | 158.1 | 33.8 | -23.5 | 0 | 0 | 0 | 112.1 | ||||
| 1197 | S | 27.8 | Very low | 29.1 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -92 | -166.5 | 159.8 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1198 | L | 26.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 92.5 | 137.5 | 178.3 | -54.7 | 166.9 | 0 | 0 | 0 | 115 | ||||
| 1199 | T | 26.3 | Very low | 29.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | cis | 160.2 | 161.9 | -25.6 | 35.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1200 | S | 26 | Very low | 29.2 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 79.7 | 136.8 | 161 | -158.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1201 | G | 29.3 | Very low | 29 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | 171 | 50.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1203 | G1201-R1203 PolarHBondContact O-N 2.92Š| ||
| 1202 | Y | 25.8 | Very low | 29 | Very low | 216 Ų | 216 | 134.9 Ų | 134.9 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -46.8 | 128.6 | 179.8 | -57.7 | -101.9 | 0 | 0 | 0 | 115.7 | ||||
| 1203 | R | 28.6 | Very low | 28.8 | Very low | 238 Ų | 238 | 135.6 Ų | 135.6 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | 166.2 | 121.7 | 120.7 | -95.4 | -178.5 | 171.4 | -141.2 | -0.8 | 115.5 | G1201 | G1201-R1203 PolarHBondContact O-N 2.92Š| |||
| 1204 | L | 33.8 | Very low | 28.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -76.2 | 166.7 | 133.7 | -77.7 | 169.7 | 0 | 0 | 0 | 108.1 | ||||
| 1205 | P | 32.9 | Very low | 28.4 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 57% | 0.565 | 77% | 0.771 | S | S | * | * | cis | -157.5 | -174.6 | 36.9 | 46.7 | -25.7 | 0 | 0 | 0 | 120 | ||||
| 1206 | F | 25 | Very low | 28 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 73.4 | 133 | 145.1 | -73.3 | -49.9 | 0 | 0 | 0 | 123.7 | ||||
| 1207 | C | 25.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 72.2 | 155.4 | 152.1 | -63.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1208 | N | 28.2 | Very low | 28.1 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | cis | -144.1 | 166.4 | 7.9 | -148.1 | -6.8 | 0 | 0 | 0 | 113.9 | ||||
| 1209 | L | 27.7 | Very low | 28.2 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -94 | 130.1 | 178.2 | -176.4 | 79.4 | 0 | 0 | 0 | 111.9 | ||||
| 1210 | S | 28.5 | Very low | 28.8 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 172.1 | 161.7 | 157.7 | -84 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1211 | N | 25.6 | Very low | 29.1 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | -173 | 165.6 | -35.1 | -159.5 | 1.2 | 0 | 0 | 0 | 107.7 | ||||
| 1212 | S | 26.6 | Very low | 29.3 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | 76 | 116.9 | 152.9 | -50.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1213 | T | 25.9 | Very low | 29.8 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | 80.3 | 138.8 | 127.4 | 52.2 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1214 | S | 28.2 | Very low | 30 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 69.8 | 131.4 | 155.4 | 29 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1215 | I | 29.8 | Very low | 29.8 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 80% | 0.795 | 73% | 0.728 | S | S | * | * | cis | 71.2 | 132.3 | 27.6 | -52.3 | 178 | 0 | 0 | 0 | 112.4 | ||||
| 1216 | P | 31.2 | Very low | 29.7 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 74% | 0.74 | S | S | * | * | cis | -115.5 | 175.4 | 19.8 | 14.7 | 11.4 | 0 | 0 | 0 | 114.4 | ||||
| 1217 | V | 27.4 | Very low | 30.2 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | cis | 84.9 | 109.4 | 30.5 | -177.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1218 | V | 31.4 | Very low | 30.4 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | trans | -152.9 | 158.4 | 148.6 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1219 | N | 30 | Very low | 30.4 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -110.3 | 172.4 | -161.2 | -88.7 | 8.7 | 0 | 0 | 0 | 118.1 | ||||
| 1220 | P | 37.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -110.6 | 175.8 | -174.6 | 42.4 | -35.9 | 0 | 0 | 0 | 118.1 | ||||
| 1221 | M | 32.6 | Very low | 30.5 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 80% | 0.803 | 73% | 0.733 | S | S | * | * | trans | -166.3 | 167.9 | 175 | -81.8 | -161.9 | 171.3 | 0 | 0 | 110.7 | ||||
| 1222 | N | 33.5 | Very low | 30.9 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 42% | 0.417 | 73% | 0.728 | S | S | . | * | cis | -156.3 | 161.8 | -14.3 | -105.6 | 8.4 | 0 | 0 | 0 | 111.8 | V833 | V833-N1222 HydrophobicContact CG2-CB 4.04Å; V833-N1222 VanDerWaalsContact CG2-OD1 3.31Å; V833-N1222 WeakPolarHBondContact CG2-OD1 3.47Å | ||
| 1223 | I | 35.2 | Very low | 31.1 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 43% | 0.431 | 74% | 0.74 | S | S | . | * | trans | -144.3 | 162.9 | -179.9 | -49.8 | -172.7 | 0 | 0 | 0 | 116 | V833 E834 | V833-I1223 HydrophobicContact CB-CG2 4.34Å; V833-I1223 HydrophobicContact CG1-CB 4.16Å; V833-I1223 HydrophobicContact CG1-CG1 3.87Å; V833-I1223 HydrophobicContact CG1-CG2 3.8Å; V833-I1223 HydrophobicContact CG2-CG2 4.1Å; E834-I1223 HydrophobicContact CB-CD1 4.5Å | ||
| 1224 | P | 33.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -130.8 | -176.3 | 154.6 | 38.8 | -24.2 | 0 | 0 | 0 | 115.2 | ||||
| 1225 | S | 30.3 | Very low | 31.4 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | -146.1 | 174 | -177.4 | -41.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1226 | T | 30.5 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | 68.3 | 121.1 | 159.4 | 54.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1227 | Q | 34.4 | Very low | 31.2 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | -172.9 | 112.8 | 131.5 | -79.4 | -53.4 | -22.9 | 0 | 0 | 106.7 | ||||
| 1228 | L | 29.8 | Very low | 31.3 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | 84.1 | 124.4 | 74.1 | -108.1 | 168.1 | 0 | 0 | 0 | 117.7 | |||||
| 1229 | S | 27.7 | Very low | 31.3 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | trans | 81 | 100.4 | 146 | -169.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1230 | M | 26.5 | Very low | 31.3 | Very low | 171 Ų | 171 | 122.7 Ų | 122.7 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | 49.6 | 131.7 | 129.5 | -51 | -163.5 | -55.7 | 0 | 0 | 123.3 | |||||
| 1231 | I | 33.5 | Very low | 30.9 | Very low | 169 Ų | 169 | 124.3 Ų | 124.3 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | -168.7 | 146.9 | 127.3 | -101 | 154.4 | 0 | 0 | 0 | 109.1 | |||||
| 1232 | P | 32.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | trans | -92.3 | 161.5 | -160.5 | 35.3 | -38 | 0 | 0 | 0 | 116.3 | ||||
| 1233 | P | 31.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | trans | -78.9 | 152.6 | 177.3 | 33.5 | -35.9 | 0 | 0 | 0 | 113.2 | ||||
| 1234 | T | 32.3 | Very low | 30.6 | Very low | 139 Ų | 139 | 127 Ų | 127 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | trans | -118.8 | 141.9 | 172 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1235 | V | 27.2 | Very low | 30.5 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | -96.8 | 133.8 | -177.2 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1236 | L | 30.3 | Very low | 30.4 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -143.9 | 151.9 | 154.3 | -79.1 | -178.2 | 0 | 0 | 0 | 108.6 | ||||
| 1237 | T | 27.5 | Very low | 30.3 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 46% | 0.46 | 73% | 0.728 | S | S | . | * | trans | -152.4 | -175.2 | -158.1 | 6.3 | 0 | 0 | 0 | 0 | 112.2 | D1143 | D1143-T1237 WeakPolarHBondContact CB-OG1 3.32Å; D1143-T1237 WeakPolarHBondContact OD2-CA 3.21Å; D1143-T1237 WeakPolarHBondContact OD2-CB 3.33Å; D1143-T1237 PolarHBondContact OD2-N 2.65Å; D1143-T1237 PolarHBondContact OD2-OG1 2.87Å | ||
| 1238 | A | 29.4 | Very low | 30 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | trans | 63.4 | 158.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1143 | D1143-A1238 WeakPolarHBondContact OD1-CB 3.45Š| ||
| 1239 | N | 31 | Very low | 30 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | cis | -143.6 | 169.6 | 8.5 | -153.4 | -14.1 | 0 | 0 | 0 | 112 | ||||
| 1240 | N | 29.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 58% | 0.578 | 74% | 0.736 | S | S | * | * | trans | -58.1 | 158.6 | 170.8 | -48.8 | -89.7 | 0 | 0 | 0 | 110.7 | ||||
| 1241 | N | 29.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | cis | -167.2 | 164.9 | 41 | -146.6 | 26.7 | 0 | 0 | 0 | 110.3 | ||||
| 1242 | P | 33.1 | Very low | 30.1 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | trans | -96.8 | 164 | -173.9 | 38.2 | -34.8 | 0 | 0 | 0 | 115.4 | ||||
| 1243 | N | 30.8 | Very low | 30 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -175.4 | 121.6 | 151 | -88.1 | -37.1 | 0 | 0 | 0 | 107.2 | ||||
| 1244 | L | 31.7 | Very low | 30 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | 64.5 | 146.2 | 83.6 | -81.5 | 165.1 | 0 | 0 | 0 | 114.9 | I1246 | L1244-I1246 HydrophobicContact CD2-CD1 4.01Š| |||
| 1245 | P | 31.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | cis | -117.3 | 159.6 | -13.8 | 17 | 7.9 | 0 | 0 | 0 | 112.5 | ||||
| 1246 | I | 28.2 | Very low | 30 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 65% | 0.651 | 71% | 0.711 | S | S | * | * | 54 | 122.4 | 74.3 | -49.9 | 173.1 | 0 | 0 | 0 | 115.1 | L1244 | L1244-I1246 HydrophobicContact CD2-CD1 4.01Š| |||
| 1247 | S | 29.5 | Very low | 30 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -160.3 | 133 | 148.4 | -80.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1248 | N | 28 | Very low | 29.9 | Very low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -117.1 | 159.4 | -174.1 | -66.7 | -33.5 | 0 | 0 | 0 | 111.6 | ||||
| 1249 | S | 30.2 | Very low | 30 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -157.6 | 106.1 | 149.2 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1250 | Q | 30.3 | Very low | 29.7 | Very low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | 71.8 | 97.5 | 67.7 | -74.6 | -163.6 | -36 | 0 | 0 | 115.6 | |||||
| 1251 | V | 29.4 | Very low | 29.8 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 92% | 0.915 | 75% | 0.75 | S | S | * | * | trans | -146.9 | 142.5 | 142.4 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1252 | A | 29.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 69% | 0.686 | 75% | 0.745 | S | S | * | * | -179.1 | 109.6 | -57.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1253 | L | 31 | Very low | 29.3 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 95% | 0.948 | 75% | 0.749 | S | S | * | * | trans | -157.9 | 131.5 | 156.2 | -75.6 | -175.7 | 0 | 0 | 0 | 104.6 | ||||
| 1254 | G | 30.8 | Very low | 29.2 | Very low | 58 Ų | 58 | 134.5 Ų | 134.5 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | cis | 126.7 | 89.7 | 22.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1255 | L | 28.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 74% | 0.742 | S | S | * | * | 59.6 | 134.6 | 87.4 | -57.7 | 174.7 | 0 | 0 | 0 | 111.3 | D956 | D956-L1255 HydrophobicContact CB-CD2 3.77Å; D956-L1255 WeakPolarHBondContact OD2-CD2 2.96Å | |||
| 1256 | T | 29.7 | Very low | 29.1 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 49% | 0.491 | 74% | 0.738 | S | S | . | * | cis | -173.7 | 171.2 | 13.9 | 7.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1257 | H | 30.9 | Very low | 29.3 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 60.3 | 138.4 | 159.5 | -63.8 | -59.5 | 0 | 0 | 0 | 118.2 | ||||
| 1258 | S | 26.2 | Very low | 29.5 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | 67.8 | 75.2 | 46 | -59.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1259 | N | 31.3 | Very low | 29.5 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -159.8 | 129.9 | 150.3 | -81 | -43.2 | 0 | 0 | 0 | 104.4 | ||||
| 1260 | M | 24.9 | Very low | 29.6 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | cis | 62.1 | 62 | 27.7 | -163.5 | 170 | 158 | 0 | 0 | 114.6 | ||||
| 1261 | M | 30.7 | Very low | 29.5 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | -147.2 | 115.4 | 135.2 | -77.8 | -141.8 | 175.5 | 0 | 0 | 107.7 | ||||
| 1262 | F | 26.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | 68.4 | 112.8 | 96.9 | -83.2 | -79.8 | 0 | 0 | 0 | 114.4 | |||||
| 1263 | Y | 25.9 | Very low | 29.5 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 73% | 0.725 | 72% | 0.717 | S | S | * | * | trans | 38.7 | 134.6 | 142.7 | -72.1 | -105.8 | 0 | 0 | 0 | 118.9 | P1265 | Y1263-P1265 HydrophobicContact CD1-CG 4.33Š| ||
| 1264 | D | 29.3 | Very low | 29.7 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | -153.8 | 132.3 | 67.6 | -124.6 | -22.4 | 0 | 0 | 0 | 115.6 | I1266 | D1264-I1266 HydrophobicContact CB-CD1 3.92Å; D1264-I1266 HydrophobicContact CB-CG1 3.97Å; D1264-I1266 PolarHBondContact O-N 2.97Å | |||
| 1265 | P | 31.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | -90 | 68.9 | 176.2 | 36.5 | -34.6 | 0 | 0 | 0 | 112 | Y1263 T1267 | Y1263-P1265 HydrophobicContact CD1-CG 4.33Å; P1265-T1267 PolarHBondContact O-N 3.43Å; P1265-T1267 VanDerWaalsContact O-N 3.09Å | ||
| 1266 | I | 28.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -81.9 | 98.5 | -170.3 | -72.6 | 175.3 | 0 | 0 | 0 | 113.6 | D1264 | D1264-I1266 HydrophobicContact CB-CD1 3.92Å; D1264-I1266 HydrophobicContact CB-CG1 3.97Å; D1264-I1266 PolarHBondContact O-N 2.97Å | ||
| 1267 | T | 32.2 | Very low | 30.2 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 60% | 0.595 | 74% | 0.741 | S | S | * | * | trans | 61.7 | 110.1 | 147.9 | 60 | 0 | 0 | 0 | 0 | 120 | P1265 | P1265-T1267 PolarHBondContact O-N 3.43Å; P1265-T1267 VanDerWaalsContact O-N 3.09Å | ||
| 1268 | R | 34.2 | Very low | 30.3 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | -54 | 129.8 | 125.2 | -77.4 | 179.3 | 167.6 | -169.6 | -3.1 | 108.7 | |||||
| 1269 | M | 28.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 80% | 0.803 | 74% | 0.741 | S | S | * | * | trans | -131.6 | 143.8 | 152.5 | -89.2 | -73.8 | 174.2 | 0 | 0 | 108.3 | ||||
| 1270 | P | 32.1 | Very low | 30.8 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | trans | -133.6 | -135.3 | -137.9 | 26.8 | 0.2 | 0 | 0 | 0 | 111.4 | ||||
| 1271 | I | 28 | Very low | 31.1 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 78.6 | 79.6 | 153.9 | -66.4 | 166.5 | 0 | 0 | 0 | 114.7 | ||||
| 1272 | T | 28.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | 95 | -176.6 | 91.9 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1273 | P | 31.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | -136.5 | 142 | -77.4 | 40.1 | -23.1 | 0 | 0 | 0 | 116.3 | |||||
| 1274 | R | 33.8 | Very low | 31.4 | Very low | 246 Ų | 246 | 136.7 Ų | 136.7 | 93% | 0.928 | 74% | 0.742 | S | S | * | * | trans | 50.9 | -152.2 | 165.8 | -74.5 | -172.3 | 167.9 | -162.7 | -1.5 | 113.1 | ||||
| 1275 | P | 33.5 | Very low | 32 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | -97.2 | 172 | -76.4 | 24.2 | -8.6 | 0 | 0 | 0 | 110.6 | |||||
| 1276 | L | 29.4 | Very low | 32 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | -173.9 | 153.3 | 72.1 | -85.1 | 164.1 | 0 | 0 | 0 | 111.3 | |||||
| 1277 | V | 38.2 | Very low | 32.3 | Very low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -82.5 | 140.8 | 162.8 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1278 | P | 33.3 | Very low | 32.3 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | -116.2 | 149 | 119.3 | -11 | 29.5 | 0 | 0 | 0 | 113.2 | |||||
| 1279 | G | 27.6 | Very low | 32.3 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | trans | -84.4 | -163.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1280 | P | 39.2 | Very low | 32.9 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | trans | -89.7 | 163.5 | -164.1 | 36.3 | -37.4 | 0 | 0 | 0 | 114.3 | ||||
| 1281 | F | 30.6 | Very low | 33 | Very low | 211 Ų | 211 | 124.6 Ų | 124.6 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | trans | -130.6 | 129.4 | 149.7 | -91 | -83.2 | 0 | 0 | 0 | 110.2 | ||||
| 1282 | M | 27.7 | Very low | 33.3 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 76% | 0.764 | 68% | 0.676 | S | S | * | * | trans | -85.2 | 166.2 | 166.7 | -60.2 | -151.1 | -59.3 | 0 | 0 | 110.4 | ||||
| 1283 | I | 33.1 | Very low | 33.7 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 89% | 0.887 | 68% | 0.679 | S | S | * | * | -164.2 | 140.6 | 126 | -97.8 | 149.3 | 0 | 0 | 0 | 111.8 | |||||
| 1284 | S | 28.5 | Very low | 33.9 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | trans | -61.7 | 179.1 | -168.4 | -66.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1285 | P | 42.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | trans | -118.6 | -177 | -167.8 | 44.1 | -33.9 | 0 | 0 | 0 | 115.4 | ||||
| 1286 | Q | 31.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 56% | 0.556 | 69% | 0.689 | S | S | * | * | trans | -173 | 131.6 | 149.5 | -104.7 | 148.1 | 111.1 | 0 | 0 | 112.2 | T1321 | Q1286-T1321 PolarHBondContact OE1-OG1 2.97Š| ||
| 1287 | Q | 34.7 | Very low | 34.6 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 51% | 0.514 | 70% | 0.695 | S | S | . | * | 76.3 | 152.5 | 93 | -73.8 | -163.4 | 0.1 | 0 | 0 | 115.9 | |||||
| 1288 | T | 32.8 | Very low | 34.3 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 44% | 0.442 | 69% | 0.689 | S | S | . | * | cis | -157.7 | 131.9 | 9 | 4.7 | 0 | 0 | 0 | 0 | 109.9 | N1318 | T1288-N1318 WeakPolarHBondContact CG2-OD1 3.2Š| ||
| 1289 | R | 33.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 119 Ų | 119 | 51% | 0.506 | 69% | 0.687 | S | S | . | * | 76.9 | 157.4 | 103.7 | -75.5 | -125.9 | -108.1 | -178.6 | -170.7 | 118.6 | L1316 V1317 N1318 | R1289-L1316 PolarHBondContact NH2-O 2.98Å; R1289-L1316 VanDerWaalsContact NH2-O 3.1Å; R1289-V1317 PolarHBondContact NH1-O 3.32Å; R1289-V1317 VanDerWaalsContact NH1-O 3.16Å; R1289-V1317 PolarHBondContact NH2-O 3.48Å; R1289-N1318 WeakPolarHBondContact CB-OD1 3.49Å; R1289-N1318 VanDerWaalsContact NE-N 3.12Å; R1289-N1318 PolarHBondContact NH1-O 2.84Å | |||
| 1290 | P | 41 | Very low | 34.5 | Very low | 42 Ų | 42 | 123.1 Ų | 123.1 | 27% | 0.273 | 69% | 0.693 | S | S | . | * | trans | -145 | -160.9 | -143.3 | 37 | -12.3 | 0 | 0 | 0 | 116.9 | S1315 L1316 | P1290-S1315 VanDerWaalsContact CG-CB 3.49Å; P1290-S1315 WeakPolarHBondContact CG-OG 3.3Å; P1290-L1316 HydrophobicContact CG-CD1 4.15Å; P1290-L1316 HydrophobicContact CG-CG 4.38Å | ||
| 1291 | V | 34.5 | Very low | 34.1 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | -162.5 | 136.5 | 161 | 129.8 | 0 | 0 | 0 | 0 | 118 | L1316 V1317 | V1291-L1316 HydrophobicContact CB-CD2 4.37Å; V1291-L1316 HydrophobicContact CG2-CD2 3.72Å; V1291-L1316 HydrophobicContact CG2-CG 4.19Å; V1291-V1317 HydrophobicContact CG2-CG2 4.11Å | ||
| 1292 | A | 34.5 | Very low | 34 | Very low | 65 Ų | 65 | 123.1 Ų | 123.1 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | trans | 34.2 | 165.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | L1316 | A1292-L1316 HydrophobicContact CB-CD2 4.22Š| ||
| 1293 | T | 36.3 | Very low | 34.2 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | cis | -151.7 | 161.1 | 18.5 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1294 | V | 34.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 84% | 0.842 | 68% | 0.68 | S | S | * | * | trans | -140 | 132.3 | -176.6 | 176.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1295 | P | 40.3 | Very low | 33.9 | Very low | 124 Ų | 124 | 120 Ų | 120 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | trans | -129.4 | -165.5 | 152.7 | 37.2 | -22.1 | 0 | 0 | 0 | 113.4 | ||||
| 1296 | A | 33.8 | Very low | 33.1 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -160.1 | 166.4 | -153.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1297 | Q | 37.5 | Very low | 32.8 | Very low | 203 Ų | 203 | 125.7 Ų | 125.7 | 95% | 0.949 | 71% | 0.706 | S | S | * | * | trans | -168.9 | 175.5 | 144.1 | -111.2 | 179.8 | 20.7 | 0 | 0 | 113.4 | ||||
| 1298 | S | 32.3 | Very low | 32.4 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | -112 | 152.5 | -155.6 | 53 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1299 | N | 34.5 | Very low | 32 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | -178.5 | 168.9 | 111 | -98.6 | -62.7 | 0 | 0 | 0 | 114.9 | |||||
| 1300 | L | 30.3 | Very low | 31.7 | Very low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 146.8 | -170.9 | -55.7 | 100.3 | 0 | 0 | 0 | 115.1 | ||||
| 1301 | Q | 31.7 | Very low | 31 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | -179.2 | 143.6 | 107.9 | -160.1 | 71 | -18.5 | 0 | 0 | 111.1 | |||||
| 1302 | L | 28.5 | Very low | 30.6 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -80.2 | 155.5 | 168.4 | -95.7 | 84.2 | 0 | 0 | 0 | 110.6 | ||||
| 1303 | P | 30.9 | Very low | 30.2 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | -149.9 | 177.5 | 52.5 | 42.1 | -21 | 0 | 0 | 0 | 119.3 | |||||
| 1304 | T | 27.5 | Very low | 29.9 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | trans | -21.3 | 128.3 | 167.8 | 55.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1305 | T | 27.8 | Very low | 29.7 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | 168.7 | 161.2 | 99.9 | 41 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1306 | L | 25.9 | Very low | 29.1 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | 66 | 114.4 | 164.1 | -59.7 | 176.9 | 0 | 0 | 0 | 121.6 | ||||
| 1307 | F | 25.9 | Very low | 29 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | 54.6 | 150.5 | 134.8 | -79.1 | -94.9 | 0 | 0 | 0 | 123.6 | ||||
| 1308 | R | 25.4 | Very low | 28.7 | Very low | 248 Ų | 248 | 133.4 Ų | 133.4 | 94% | 0.936 | 70% | 0.7 | S | S | * | * | trans | 65 | 145.5 | -171.2 | -68 | 178.2 | 170.7 | 170.1 | -3.3 | 113.3 | ||||
| 1309 | G | 25.3 | Very low | 28.7 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | cis | 121.9 | 142.6 | 4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1310 | Q | 27.9 | Very low | 28.5 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 69% | 0.687 | S | S | * | * | trans | 73.7 | 107.6 | -168.8 | -54.9 | -177.5 | -42.5 | 0 | 0 | 112.5 | ||||
| 1311 | N | 26 | Very low | 28.5 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | 88.3 | 178.5 | 91.8 | -83.4 | -15.8 | 0 | 0 | 0 | 112.8 | |||||
| 1312 | W | 26.3 | Very low | 28.3 | Very low | 239 Ų | 239 | 124.8 Ų | 124.8 | 91% | 0.905 | 66% | 0.662 | S | S | * | * | trans | 70.6 | 85.6 | -163.9 | -54.6 | 88 | 0 | 0 | 0 | 112 | ||||
| 1313 | S | 26.6 | Very low | 28.4 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | cis | 60.3 | 96.7 | 16.4 | 83.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1314 | Q | 28.7 | Very low | 28.4 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 77% | 0.771 | 67% | 0.671 | S | S | * | * | trans | 153.5 | 150.7 | 134.1 | -72.9 | -112.2 | 37.2 | 0 | 0 | 109.8 | ||||
| 1315 | S | 30.1 | Very low | 28.5 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | cis | -177.7 | -143.3 | -23.5 | -167.8 | 0 | 0 | 0 | 0 | 107.6 | P1290 | P1290-S1315 VanDerWaalsContact CG-CB 3.49Å; P1290-S1315 WeakPolarHBondContact CG-OG 3.3Å | ||
| 1316 | L | 27.9 | Very low | 28.6 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 36% | 0.361 | 68% | 0.677 | S | S | . | * | trans | 84.5 | 150.5 | 168.3 | -74.2 | 77.5 | 0 | 0 | 0 | 117.6 | R1289 P1290 V1291 A1292 | R1289-L1316 PolarHBondContact NH2-O 2.98Å; R1289-L1316 VanDerWaalsContact NH2-O 3.1Å; P1290-L1316 HydrophobicContact CG-CD1 4.15Å; P1290-L1316 HydrophobicContact CG-CG 4.38Å; V1291-L1316 HydrophobicContact CB-CD2 4.37Å; V1291-L1316 HydrophobicContact CG2-CD2 3.72Å; V1291-L1316 HydrophobicContact CG2-CG 4.19Å; A1292-L1316 HydrophobicContact CB-CD2 4.22Å | ||
| 1317 | V | 32.6 | Very low | 28.8 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 44% | 0.442 | 67% | 0.672 | S | S | . | * | cis | -125.5 | 149.1 | -41.4 | -162.2 | 0 | 0 | 0 | 0 | 108.2 | R1289 V1291 | R1289-V1317 PolarHBondContact NH1-O 3.32Å; R1289-V1317 VanDerWaalsContact NH1-O 3.16Å; R1289-V1317 PolarHBondContact NH2-O 3.48Å; V1291-V1317 HydrophobicContact CG2-CG2 4.11Å | ||
| 1318 | N | 30.8 | Very low | 29 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 39% | 0.385 | 67% | 0.668 | S | S | . | * | trans | 14.3 | 148.4 | 168.4 | -69.3 | -29 | 0 | 0 | 0 | 123 | T1288 R1289 | T1288-N1318 WeakPolarHBondContact CG2-OD1 3.2Å; R1289-N1318 WeakPolarHBondContact CB-OD1 3.49Å; R1289-N1318 VanDerWaalsContact NE-N 3.12Å; R1289-N1318 PolarHBondContact NH1-O 2.84Å | ||
| 1319 | Q | 32.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 60% | 0.598 | 66% | 0.659 | S | S | * | * | cis | -158.2 | 169.5 | 14.1 | -133.1 | 149.3 | 24.1 | 0 | 0 | 112 | ||||
| 1320 | T | 30.1 | Very low | 29.9 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 55% | 0.546 | 66% | 0.66 | S | S | . | * | trans | 25.1 | 133.9 | 148 | 50 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1321 | T | 30.1 | Very low | 30.3 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 45% | 0.454 | 65% | 0.654 | S | S | . | * | cis | -166 | 149.7 | 6.1 | -84.5 | 0 | 0 | 0 | 0 | 112.7 | Q1286 | Q1286-T1321 PolarHBondContact OE1-OG1 2.97Š| ||
| 1322 | S | 27.1 | Very low | 30.9 | Very low | 87 Ų | 87 | 128 Ų | 128 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | trans | 69 | 158.6 | 159.8 | 77.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 1323 | L | 30.2 | Very low | 31.8 | Very low | 168 Ų | 168 | 120.2 Ų | 120.2 | 88% | 0.88 | 64% | 0.644 | S | S | * | * | trans | 66.4 | 163 | 173 | -68.7 | 173 | 0 | 0 | 0 | 119.2 | ||||
| 1324 | Q | 30.7 | Very low | 32.6 | Very low | 185 Ų | 185 | 123.3 Ų | 123.3 | 86% | 0.864 | 65% | 0.653 | S | S | * | * | trans | -130.1 | 153.7 | -142 | -171.9 | 165.7 | -70 | 0 | 0 | 113.4 | ||||
| 1325 | R | 30.3 | Very low | 33.1 | Very low | 231 Ų | 231 | 121.7 Ų | 121.7 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -61.3 | 154.1 | 177.5 | -88.6 | -174.8 | 178.2 | -172.9 | -0.7 | 113 | ||
| 1326 | P | 31 | Very low | 33.4 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -76 | 137.7 | -147.5 | 27.6 | -36.2 | 0 | 0 | 0 | 113.6 | ||
| 1327 | P | 29 | Very low | 34 | Very low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 156.7 | 161.7 | 33.5 | -33.8 | 0 | 0 | 0 | 110.4 | N1329 | P1327-N1329 PolarHBondContact O-N 3.17Š|
| 1328 | S | 31.1 | Very low | 34.7 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -68.2 | 120.6 | 165.1 | 50 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1329 | N | 33.4 | Very low | 36.2 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | -169.4 | -26.3 | 153.4 | -96.4 | -16.9 | 0 | 0 | 0 | 114.4 | P1327 F1331 | P1327-N1329 PolarHBondContact O-N 3.17Å; N1329-F1331 VanDerWaalsContact C-N 3.26Å; N1329-F1331 PolarHBondContact O-N 3.19Å | ||
| 1330 | D | 35 | Very low | 37.4 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 11.5 | -161.3 | -53.9 | -38.7 | 0 | 0 | 0 | 117.7 | ||
| 1331 | F | 36.2 | Very low | 39.1 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -31.7 | 174.4 | -167.5 | -99.8 | 0 | 0 | 0 | 112.9 | N1329 | N1329-F1331 VanDerWaalsContact C-N 3.26Å; N1329-F1331 PolarHBondContact O-N 3.19Å |
| 1332 | W | 39.9 | Very low | 41.3 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -25.8 | 179.3 | -71.6 | 108.6 | 0 | 0 | 0 | 113.1 | L1334 S1336 | W1332-L1334 VanDerWaalsContact C-N 3.29Å; W1332-L1334 PolarHBondContact O-N 2.67Å; W1332-S1336 PolarHBondContact O-OG 2.66Å |
| 1333 | A | 44.2 | Very low | 43.5 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -26.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1334 | L | 42.7 | Very low | 45.6 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -1.8 | -175.6 | -137.6 | 84 | 0 | 0 | 0 | 114.7 | W1332 | W1332-L1334 VanDerWaalsContact C-N 3.29Å; W1332-L1334 PolarHBondContact O-N 2.67Å |
| 1335 | M | 39 | Very low | 47.9 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -112.1 | -0.4 | -177.7 | -72.5 | -69.1 | -63.6 | 0 | 0 | 113.5 | ||
| 1336 | S | 37.6 | Very low | 50.1 | Low | 93 Ų | 93 | 122.4 Ų | 122.4 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | -90.4 | 7.9 | -175 | -58.9 | 0 | 0 | 0 | 0 | 114.6 | W1332 V1338 | W1332-S1336 PolarHBondContact O-OG 2.66Å; S1336-V1338 PolarHBondContact O-N 2.76Å | ||
| 1337 | T | 39.4 | Very low | 52.1 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -80.4 | 54.9 | 171.1 | 35.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1338 | V | 49.1 | Very low | 54.2 | Low | 114 Ų | 114 | 122.5 Ų | 122.5 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | -112.8 | 122.1 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | S1336 | S1336-V1338 PolarHBondContact O-N 2.76Š| ||
| 1339 | P | 61.7 | Low | 55.7 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142 | 179.7 | 27.1 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 1340 | P | 58.7 | Low | 56.4 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62 | 148.2 | 174.6 | 27.6 | -34.4 | 0 | 0 | 0 | 110.3 | ||
| 1341 | P | 65.4 | Low | 57.2 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.9 | 173.1 | 27.8 | -34.4 | 0 | 0 | 0 | 110.3 | ||
| 1342 | P | 76.1 | Confident | 58.2 | Low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 143.2 | 177.3 | 27 | -34.4 | 0 | 0 | 0 | 110.5 | ||
| 1343 | P | 73.6 | Confident | 58.6 | Low | 115 Ų | 115 | 121.6 Ų | 121.6 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.9 | 179.7 | 26.5 | -34.6 | 0 | 0 | 0 | 111.1 | ||
| 1344 | P | 73.3 | Confident | 58.5 | Low | 116 Ų | 116 | 124 Ų | 124 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 145.7 | 175.8 | 26.9 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 1345 | P | 79.5 | Confident | 58.5 | Low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.2 | 177 | 27.1 | -34.3 | 0 | 0 | 0 | 110.2 | ||
| 1346 | P | 75.7 | Confident | 58.6 | Low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.7 | -178 | 25.2 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 1347 | P | 73.7 | Confident | 58.8 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 142 | 178 | 25.6 | -33.8 | 0 | 0 | 0 | 110.3 | ||
| 1348 | P | 72.4 | Confident | 59 | Low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 140.7 | 178 | 26.2 | -34.2 | 0 | 0 | 0 | 109.9 | Q1350 | P1348-Q1350 PolarHBondContact O-N 3.11Š|
| 1349 | P | 64.1 | Low | 58.9 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -60.9 | 110.5 | -172.8 | 23.8 | -33.9 | 0 | 0 | 0 | 110.5 | Q1351 | P1349-Q1351 PolarHBondContact O-N 3.05Š| ||
| 1350 | Q | 47.8 | Very low | 57.7 | Low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.4 | 176.8 | -66.6 | -170 | 8.1 | 0 | 0 | 109 | P1348 | P1348-Q1350 PolarHBondContact O-N 3.11Š|
| 1351 | Q | 51.7 | Low | 56.4 | Low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 145.7 | 173.8 | -67.5 | 179 | -51 | 0 | 0 | 109.6 | P1349 | P1349-Q1351 PolarHBondContact O-N 3.05Š|
| 1352 | P | 57.1 | Low | 55 | Low | 105 Ų | 105 | 130.9 Ų | 130.9 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143.1 | -179.4 | 24.3 | -34.7 | 0 | 0 | 0 | 110.7 | T1354 | P1352-T1354 PolarHBondContact O-N 3.32Š|
| 1353 | P | 47.1 | Very low | 53.1 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 99.4 | -173.7 | 25.5 | -34.4 | 0 | 0 | 0 | 110.3 | L1355 | P1353-L1355 PolarHBondContact O-N 3.15Š| ||
| 1354 | T | 42.6 | Very low | 51.1 | Low | 127 Ų | 127 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -66.3 | 118.2 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 107.6 | P1352 P1356 | P1352-T1354 PolarHBondContact O-N 3.32Å; T1354-P1356 WeakPolarHBondContact O-CD 3.43Å | ||
| 1355 | L | 42.5 | Very low | 49.2 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -53 | 128.5 | -178 | -77.8 | 91.1 | 0 | 0 | 0 | 110.1 | P1353 Q1357 | P1353-L1355 PolarHBondContact O-N 3.15Å; L1355-Q1357 VanDerWaalsContact C-N 3.33Å; L1355-Q1357 PolarHBondContact O-N 3.48Å | ||
| 1356 | P | 41.3 | Very low | 47 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 98.2 | 163.5 | -18.6 | 32 | 0 | 0 | 0 | 108.3 | T1354 | T1354-P1356 WeakPolarHBondContact O-CD 3.43Š| ||
| 1357 | Q | 41.6 | Very low | 45.1 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -59.8 | 140 | 170 | -71.7 | -172.6 | -12.3 | 0 | 0 | 108.7 | L1355 | L1355-Q1357 VanDerWaalsContact C-N 3.33Å; L1355-Q1357 PolarHBondContact O-N 3.48Å | ||
| 1358 | P | 43.9 | Very low | 43.3 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -61.6 | 134.4 | 176.9 | 26.7 | -34 | 0 | 0 | 0 | 109.2 | T1360 | P1358-T1360 PolarHBondContact O-N 2.92Š| ||
| 1359 | P | 46.7 | Very low | 41.5 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -61.4 | 113.8 | -179.7 | 24 | -33 | 0 | 0 | 0 | 109.9 | L1361 | P1359-L1361 PolarHBondContact O-N 3.47Š| ||
| 1360 | T | 37.2 | Very low | 40.2 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -69.2 | 117.6 | -172 | 8.3 | 0 | 0 | 0 | 0 | 111.3 | P1358 S1362 | P1358-T1360 PolarHBondContact O-N 2.92Å; T1360-S1362 PolarHBondContact O-N 3.47Å | ||
| 1361 | L | 31.8 | Very low | 39.4 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 96% | 0.958 | 78% | 0.782 | S | S | * | * | trans | -58.1 | 122.9 | 175.1 | -76.1 | 164.3 | 0 | 0 | 0 | 111 | P1359 | P1359-L1361 PolarHBondContact O-N 3.47Š| ||
| 1362 | S | 34.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -137.4 | 150.8 | 169.9 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | T1360 | T1360-S1362 PolarHBondContact O-N 3.47Š| ||
| 1363 | P | 36.7 | Very low | 37.5 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | -118.9 | 157.8 | -124.2 | 40.3 | -34.4 | 0 | 0 | 0 | 117.6 | |||||
| 1364 | F | 31.3 | Very low | 36.9 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 39.2 | 117.4 | 144.6 | -86.5 | -98.6 | 0 | 0 | 0 | 121.1 | Q1366 | F1364-Q1366 HydrophobicContact CD1-CG 4.35Š| ||
| 1365 | N | 34.1 | Very low | 36.5 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | -157.9 | 109 | 112.1 | -102.3 | -32.6 | 0 | 0 | 0 | 109.2 | |||||
| 1366 | Q | 32.2 | Very low | 36.1 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | 85.5 | 134.5 | 84.1 | -81.4 | -161.3 | 27.3 | 0 | 0 | 114.3 | F1364 | F1364-Q1366 HydrophobicContact CD1-CG 4.35Š| |||
| 1367 | T | 35.7 | Very low | 35.5 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | 85 | 125.7 | -172.6 | 67.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1368 | Q | 36.7 | Very low | 35.2 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | cis | -146.6 | 132 | -6.4 | -105.6 | 179.7 | 26.5 | 0 | 0 | 113 | ||||
| 1369 | I | 35.4 | Very low | 34.4 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 67% | 0.672 | 77% | 0.774 | S | S | * | * | trans | 64.3 | 126 | 134.7 | -59.6 | 169.6 | 0 | 0 | 0 | 121 | ||||
| 1370 | R | 35.5 | Very low | 33.8 | Very low | 225 Ų | 225 | 139 Ų | 139 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | trans | 61.7 | 104.6 | 162.7 | -71.2 | 167.6 | -174.9 | -89.4 | 1.2 | 116.2 | ||||
| 1371 | Q | 31.5 | Very low | 33.6 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | cis | 62.9 | 147.9 | 22.1 | -91.3 | -150 | -3.4 | 0 | 0 | 115.9 | ||||
| 1372 | P | 39.1 | Very low | 33.5 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | cis | -152.3 | -175.8 | -39 | 40.5 | -20.6 | 0 | 0 | 0 | 116.7 | ||||
| 1373 | L | 29.9 | Very low | 33.4 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | 85.4 | 156 | 133.6 | -146.2 | 69.4 | 0 | 0 | 0 | 122.9 | ||||
| 1374 | V | 35.3 | Very low | 33.2 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | 90.7 | 124.2 | 157.5 | -167.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1375 | G | 33.5 | Very low | 33.2 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 71% | 0.71 | S | S | * | * | trans | 87.9 | 140.3 | 163 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1376 | G | 33.5 | Very low | 32.8 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | cis | 134.4 | 120.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1377 | M | 29.8 | Very low | 32.8 | Very low | 180 Ų | 180 | 134 Ų | 134 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | trans | 65.8 | 137.4 | 161.2 | -68.7 | -176.9 | 74.7 | 0 | 0 | 120.2 | ||||
| 1378 | V | 34.2 | Very low | 32.3 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | 79.5 | 135.3 | 144.5 | 169.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1379 | F | 28.1 | Very low | 32.2 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -32.6 | 132.5 | 164 | -64.8 | -110.1 | 0 | 0 | 0 | 115.8 | ||||
| 1380 | N | 34.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 130 Ų | 130 | 57% | 0.567 | 72% | 0.72 | S | S | * | * | trans | -159.1 | 88.8 | 133.5 | -172.1 | 24.7 | 0 | 0 | 0 | 112.1 | N1382 | N1380-N1382 PolarHBondContact O-N 3.46Š| ||
| 1381 | P | 32.7 | Very low | 31.8 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 44% | 0.442 | 72% | 0.715 | S | S | . | * | trans | -65.1 | 129.4 | 152.7 | 30.8 | -32.9 | 0 | 0 | 0 | 108.6 | S917 | S917-P1381 VanDerWaalsContact OG-CD 3.26Å; S917-P1381 WeakPolarHBondContact OG-CD 3.45Å; S917-P1381 WeakPolarHBondContact OG-CG 3.17Å | ||
| 1382 | N | 28.8 | Very low | 32 | Very low | 58 Ų | 58 | 121.3 Ų | 121.3 | 31% | 0.31 | 71% | 0.708 | S | S | . | * | trans | 93.5 | 66.8 | 178.2 | -49.6 | -79.4 | 0 | 0 | 0 | 117.6 | A915 Q916 N1380 | A915-N1382 VanDerWaalsContact C-ND2 3.29Å; A915-N1382 VanDerWaalsContact CB-ND2 3.32Å; A915-N1382 WeakPolarHBondContact CB-ND2 3.41Å; A915-N1382 WeakPolarHBondContact CB-OD1 3.31Å; A915-N1382 PolarHBondContact N-OD1 2.93Å; A915-N1382 VanDerWaalsContact N-OD1 3.15Å; A915-N1382 WeakPolarHBondContact O-CB 3.25Å; A915-N1382 PolarHBondContact O-ND2 3.15Å; A915-N1382 PolarHBondContact O-OD1 3.31Å; Q916-N1382 HydrophobicContact CG-CB 4.29Å; N1380-N1382 PolarHBondContact O-N 3.46Å | ||
| 1383 | S | 34.1 | Very low | 31.8 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 52% | 0.517 | 72% | 0.715 | S | S | . | * | -135 | 164.2 | 115.1 | -162.7 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 1384 | W | 31.4 | Very low | 32.1 | Very low | 233 Ų | 233 | 126.1 Ų | 126.1 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | cis | -136 | 126.7 | 21.8 | -68.8 | 52.3 | 0 | 0 | 0 | 108.1 | ||||
| 1385 | M | 31.8 | Very low | 32.1 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | 55.4 | 116.8 | 95.7 | -67.9 | -167 | 72.3 | 0 | 0 | 116.7 | |||||
| 1386 | F | 26.1 | Very low | 32.3 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -18 | 139.4 | 152.4 | -69.1 | -103 | 0 | 0 | 0 | 117.3 | ||||
| 1387 | S | 31.4 | Very low | 32.6 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 73% | 0.728 | S | S | * | * | -158.4 | 141.4 | 127 | -83.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1388 | S | 26 | Very low | 32.8 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | trans | -83.1 | 162.7 | -174.5 | -39.3 | 0 | 0 | 0 | 0 | 112.8 | T1390 | S1388-T1390 PolarHBondContact O-N 3.37Š| ||
| 1389 | P | 33.1 | Very low | 32.7 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -71.2 | 76.9 | 153.7 | 32.4 | -33.6 | 0 | 0 | 0 | 109.7 | S1391 | P1389-S1391 PolarHBondContact O-N 3.48Š| ||
| 1390 | T | 28.3 | Very low | 33 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 72% | 0.723 | S | S | * | * | trans | -72 | 108.7 | 170.7 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | S1388 | S1388-T1390 PolarHBondContact O-N 3.37Š| ||
| 1391 | S | 35.3 | Very low | 32.9 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -138.4 | 76.1 | 167 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | P1389 | P1389-S1391 PolarHBondContact O-N 3.48Š| ||
| 1392 | T | 35.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | 64.6 | 70.2 | 95.7 | 63.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1393 | N | 36.2 | Very low | 33.2 | Very low | 143 Ų | 143 | 151 Ų | 151 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | -164.7 | 121.6 | 116 | -89.9 | -45.1 | 0 | 0 | 0 | 107.8 | |||||
| 1394 | R | 35.2 | Very low | 33.1 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | 77.1 | 119.8 | 68.5 | -94.9 | -169.1 | 173.9 | 156.7 | -0.4 | 114.7 | |||||
| 1395 | D | 36.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 60% | 0.599 | 79% | 0.792 | S | S | * | * | trans | 73.9 | 105.9 | 144.1 | -53.6 | -21.4 | 0 | 0 | 0 | 120.4 | ||||
| 1396 | K | 37.6 | Very low | 33.4 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 82.1 | 135.9 | 156.3 | -52.8 | 135.8 | -173.1 | 166.7 | 0 | 115 | ||||
| 1397 | K | 40 | Very low | 34 | Very low | 272 Ų | 272 | 147.4 Ų | 147.4 | 100% | 1.183 | 79% | 0.794 | S | S | * | * | cis | -143.4 | 0 | 5.8 | -175.1 | -178.8 | 176.2 | -174.8 | 0 | 111.1 |
Retrieved 1,397 of 1,397 residues in 882.8 ms
(Link to these results)