| 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 | 50.9 | Low | 80.9 | Confident | 202 Ų | 202 | 92.5 Ų | 92.5 | 100% | 0.995 | 46% | 0.464 | S | S | * | . | 0 | -20.6 | 0 | -81.4 | 176.7 | -82.1 | 0 | 0 | 112.1 | S3 A4 | M1-S3 PolarHBondContact O-N 2.63Å; M1-A4 PolarHBondContact O-N 2.7Å; M1-A4 VanDerWaalsContact O-N 3.08Å | |||
| 2 | E | 56.7 | Low | 82 | Confident | 137 Ų | 137 | 85.6 Ų | 85.6 | 64% | 0.64 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | 16.6 | -87.7 | 155.3 | -76.7 | 51.8 | -106.6 | 0 | 0 | 114.8 | A4 R5 E6 | E2-A4 CarbonylContact O-C 3.53Å; E2-A4 PolarHBondContact O-N 2.66Å; E2-R5 CarbonylContact O-C 3.41Å; E2-R5 WeakPolarHBondContact O-CA 3.33Å; E2-R5 WeakPolarHBondContact O-CB 3.42Å; E2-R5 PolarHBondContact O-N 3.05Å; E2-E6 WeakPolarHBondContact O-CB 3.26Å; E2-E6 PolarHBondContact O-N 2.87Å |
| 3 | S | 72.6 | Confident | 82.9 | Confident | 81 Ų | 81 | 84.7 Ų | 84.7 | 57% | 0.566 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -53.1 | -21.7 | -170.5 | -176 | 0 | 0 | 0 | 0 | 116.1 | M1 K7 | M1-S3 PolarHBondContact O-N 2.63Å; S3-K7 WeakPolarHBondContact O-CB 3.47Å; S3-K7 PolarHBondContact O-N 3.35Å |
| 4 | A | 80.6 | Confident | 83.5 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 60% | 0.595 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -79.6 | -46 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 E2 R8 | M1-A4 PolarHBondContact O-N 2.7Å; M1-A4 VanDerWaalsContact O-N 3.08Å; E2-A4 CarbonylContact O-C 3.53Å; E2-A4 PolarHBondContact O-N 2.66Å; A4-R8 PolarHBondContact O-N 3.23Å |
| 5 | R | 84.9 | Confident | 84.1 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 177.1 | -168.9 | -176.7 | -175.9 | 170.6 | 4.3 | 111.5 | E2 R8 K9 E45 D52 | E2-R5 CarbonylContact O-C 3.41Å; E2-R5 WeakPolarHBondContact O-CA 3.33Å; E2-R5 WeakPolarHBondContact O-CB 3.42Å; E2-R5 PolarHBondContact O-N 3.05Å; R5-R8 WeakPolarHBondContact O-CB 3.49Å; R5-R8 PolarHBondContact O-N 3.18Å; R5-R8 VanDerWaalsContact O-N 3.12Å; R5-K9 WeakPolarHBondContact O-CG 3.28Å; R5-K9 PolarHBondContact O-N 3.34Å; R5-E45 WeakPolarHBondContact CG-OE1 3.17Å; R5-E45 WeakPolarHBondContact CG-OE2 3.33Å; R5-E45 IonicContact CZ-OE1 2.68Å; R5-E45 IonicContact NE-OE1 2.65Å; R5-E45 PolarHBondContact NE-OE1 2.87Å; R5-E45 IonicContact NE-OE2 2.86Å; R5-E45 IonicContact NH2-OE1 2.77Å; R5-E45 PolarHBondContact NH2-OE1 3.28Å; R5-D52 IonicContact CZ-OD2 3.02Å; R5-D52 IonicContact NH1-OD1 3.71Å; R5-D52 IonicContact NH1-OD2 3.47Å; R5-D52 PolarHBondContact NH1-OD2 3.42Å; R5-D52 IonicContact NH2-OD2 3.67Å; R5-D52 PolarHBondContact NH2-OD2 3.27Å |
| 6 | E | 87.9 | Confident | 84.7 | Confident | 117 Ų | 117 | 80.4 Ų | 80.4 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.5 | -170.9 | 168.2 | -135.7 | 0 | 0 | 111.3 | E2 R8 K9 E10 | E2-E6 WeakPolarHBondContact O-CB 3.26Å; E2-E6 PolarHBondContact O-N 2.87Å; E6-R8 VanDerWaalsContact C-N 3.33Å; E6-R8 PolarHBondContact O-N 3.44Å; E6-K9 PolarHBondContact O-N 2.8Å; E6-E10 PolarHBondContact O-N 3.06Å |
| 7 | K | 89.5 | Confident | 85.1 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 170.3 | 176.4 | -179.4 | 177.2 | -71.6 | 0 | 112.5 | S3 E10 E11 | S3-K7 WeakPolarHBondContact O-CB 3.47Å; S3-K7 PolarHBondContact O-N 3.35Å; K7-E10 WeakPolarHBondContact O-CB 3.2Å; K7-E10 PolarHBondContact O-N 3.22Å; K7-E11 WeakPolarHBondContact CE-OE1 3.48Å; K7-E11 IonicContact NZ-OE1 3.83Å; K7-E11 PolarHBondContact NZ-OE1 3.01Å; K7-E11 IonicContact NZ-OE2 3.98Å; K7-E11 PolarHBondContact NZ-OE2 3.23Å; K7-E11 WeakPolarHBondContact O-CB 3.49Å; K7-E11 WeakPolarHBondContact O-CG 3.39Å; K7-E11 PolarHBondContact O-N 2.95Å |
| 8 | R | 91.6 | Very high | 85.4 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 18% | 0.177 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.8 | -163.2 | -162.8 | -69.6 | 132.8 | -13 | 110.7 | A4 R5 E6 E10 E11 I12 N41 E44 E45 | A4-R8 PolarHBondContact O-N 3.23Å; R5-R8 WeakPolarHBondContact O-CB 3.49Å; R5-R8 PolarHBondContact O-N 3.18Å; R5-R8 VanDerWaalsContact O-N 3.12Å; E6-R8 VanDerWaalsContact C-N 3.33Å; E6-R8 PolarHBondContact O-N 3.44Å; R8-E10 PolarHBondContact O-N 3.45Å; R8-E11 PolarHBondContact O-N 3.5Å; R8-E11 VanDerWaalsContact O-N 3.16Å; R8-I12 HydrophobicContact CG-CD1 4.06Å; R8-I12 VanDerWaalsContact O-CG1 3.28Å; R8-I12 WeakPolarHBondContact O-CG1 3.29Å; R8-I12 PolarHBondContact O-N 3.38Å; R8-N41 WeakPolarHBondContact CD-O 3.49Å; R8-N41 HydrophobicContact CG-CB 4.1Å; R8-E44 IonicContact CZ-OE2 2.79Å; R8-E44 IonicContact NE-OE2 2.69Å; R8-E44 PolarHBondContact NE-OE2 3.41Å; R8-E44 IonicContact NH2-OE2 2.87Å; R8-E44 PolarHBondContact NH2-OE2 3.07Å; R8-E45 IonicContact CZ-OE2 3.72Å; R8-E45 IonicContact NH1-OE2 3.36Å; R8-E45 PolarHBondContact NH1-OE2 3.39Å |
| 9 | K | 90.6 | Very high | 85.6 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.3 | -69.8 | -178.2 | -179.2 | -172.3 | 0 | 112.2 | R5 E6 E11 S13 E45 | R5-K9 WeakPolarHBondContact O-CG 3.28Å; R5-K9 PolarHBondContact O-N 3.34Å; E6-K9 PolarHBondContact O-N 2.8Å; K9-E11 VanDerWaalsContact C-N 3.34Å; K9-E11 PolarHBondContact O-N 2.81Å; K9-S13 WeakPolarHBondContact O-CB 3.19Å; K9-S13 PolarHBondContact O-N 2.72Å; K9-S13 PolarHBondContact O-OG 2.92Å; K9-E45 WeakPolarHBondContact CE-OE1 3.17Å; K9-E45 HydrophobicContact CG-CG 4.41Å; K9-E45 IonicContact NZ-OE1 3.54Å |
| 10 | E | 92.4 | Very high | 85.7 | Confident | 104 Ų | 104 | 78.8 Ų | 78.8 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 172.1 | -72.2 | 179.2 | -159.3 | 0 | 0 | 112.8 | E6 K7 R8 R14 | E6-E10 PolarHBondContact O-N 3.06Å; K7-E10 WeakPolarHBondContact O-CB 3.2Å; K7-E10 PolarHBondContact O-N 3.22Å; R8-E10 PolarHBondContact O-N 3.45Å; E10-R14 VanDerWaalsContact O-CB 3.23Å; E10-R14 WeakPolarHBondContact O-CB 3.21Å; E10-R14 PolarHBondContact O-N 3.07Å; E10-R14 IonicContact OE2-NH2 3.14Å; E10-R14 PolarHBondContact OE2-NH2 3.09Å |
| 11 | E | 92.1 | Very high | 85.9 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | -178.9 | -77.2 | 174 | 158.8 | 0 | 0 | 112.5 | K7 R8 K9 A15 | K7-E11 WeakPolarHBondContact CE-OE1 3.48Å; K7-E11 IonicContact NZ-OE1 3.83Å; K7-E11 PolarHBondContact NZ-OE1 3.01Å; K7-E11 IonicContact NZ-OE2 3.98Å; K7-E11 PolarHBondContact NZ-OE2 3.23Å; K7-E11 WeakPolarHBondContact O-CB 3.49Å; K7-E11 WeakPolarHBondContact O-CG 3.39Å; K7-E11 PolarHBondContact O-N 2.95Å; R8-E11 PolarHBondContact O-N 3.5Å; R8-E11 VanDerWaalsContact O-N 3.16Å; K9-E11 VanDerWaalsContact C-N 3.34Å; K9-E11 PolarHBondContact O-N 2.81Å; E11-A15 VanDerWaalsContact O-CB 3.27Å; E11-A15 WeakPolarHBondContact O-CB 3.46Å; E11-A15 PolarHBondContact O-N 3.08Å |
| 12 | I | 93.8 | Very high | 87.4 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -56.1 | 169.4 | -68.3 | 162.7 | 0 | 0 | 0 | 109.8 | R8 R14 A15 L16 L38 N41 L42 E45 | R8-I12 HydrophobicContact CG-CD1 4.06Å; R8-I12 VanDerWaalsContact O-CG1 3.28Å; R8-I12 WeakPolarHBondContact O-CG1 3.29Å; R8-I12 PolarHBondContact O-N 3.38Å; I12-R14 VanDerWaalsContact C-N 3.29Å; I12-R14 PolarHBondContact O-N 3.19Å; I12-A15 PolarHBondContact O-N 3.23Å; I12-L16 HydrophobicContact CG2-CD1 3.66Å; I12-L16 HydrophobicContact CG2-CG 4.15Å; I12-L16 WeakPolarHBondContact O-CG 3.27Å; I12-L16 PolarHBondContact O-N 3.36Å; I12-L38 HydrophobicContact CB-CD1 4.43Å; I12-L38 HydrophobicContact CG1-CD1 4.37Å; I12-L38 HydrophobicContact CG2-CD1 4.31Å; I12-N41 HydrophobicContact CD1-CB 4.11Å; I12-N41 HydrophobicContact CG1-CB 3.71Å; I12-L42 HydrophobicContact CD1-CD2 4.32Å; I12-L42 HydrophobicContact CG1-CD2 4.45Å; I12-L42 HydrophobicContact CG1-CG 4.48Å; I12-L42 HydrophobicContact CG2-CD2 3.59Å; I12-L42 HydrophobicContact CG2-CG 4.21Å; I12-E45 HydrophobicContact CD1-CB 3.85Å; I12-E45 HydrophobicContact CD1-CG 4.2Å |
| 13 | S | 93.7 | Very high | 88.7 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | -178.3 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | K9 A17 | K9-S13 WeakPolarHBondContact O-CB 3.19Å; K9-S13 PolarHBondContact O-N 2.72Å; K9-S13 PolarHBondContact O-OG 2.92Å; S13-A17 VanDerWaalsContact O-CB 3.25Å; S13-A17 WeakPolarHBondContact O-CB 3.37Å; S13-A17 PolarHBondContact O-N 2.93Å |
| 14 | R | 92.3 | Very high | 89.1 | Confident | 142 Ų | 142 | 73 Ų | 73 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 177 | -169.7 | -175.8 | -57.5 | 104 | 3.6 | 112.5 | E10 I12 F18 | E10-R14 VanDerWaalsContact O-CB 3.23Å; E10-R14 WeakPolarHBondContact O-CB 3.21Å; E10-R14 PolarHBondContact O-N 3.07Å; E10-R14 IonicContact OE2-NH2 3.14Å; E10-R14 PolarHBondContact OE2-NH2 3.09Å; I12-R14 VanDerWaalsContact C-N 3.29Å; I12-R14 PolarHBondContact O-N 3.19Å; R14-F18 PolarHBondContact O-N 2.84Å |
| 15 | A | 92.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -77.6 | -39.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E11 I12 F18 I19 F34 L38 | E11-A15 VanDerWaalsContact O-CB 3.27Å; E11-A15 WeakPolarHBondContact O-CB 3.46Å; E11-A15 PolarHBondContact O-N 3.08Å; I12-A15 PolarHBondContact O-N 3.23Å; A15-F18 WeakPolarHBondContact O-CB 3.36Å; A15-F18 PolarHBondContact O-N 3.18Å; A15-I19 PolarHBondContact O-N 3.39Å; A15-F34 HydrophobicContact CB-CE2 3.71Å; A15-F34 HydrophobicContact CB-CZ 3.73Å; A15-L38 HydrophobicContact CB-CD1 3.77Å; A15-L38 HydrophobicContact CB-CD2 3.87Å; A15-L38 HydrophobicContact CB-CG 4.26Å |
| 16 | L | 92.6 | Very high | 89.2 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 170.6 | -68.3 | 173.7 | 0 | 0 | 0 | 111.1 | I12 F18 I19 Q20 L38 E64 I68 | I12-L16 HydrophobicContact CG2-CD1 3.66Å; I12-L16 HydrophobicContact CG2-CG 4.15Å; I12-L16 WeakPolarHBondContact O-CG 3.27Å; I12-L16 PolarHBondContact O-N 3.36Å; L16-F18 PolarHBondContact O-N 2.72Å; L16-I19 PolarHBondContact O-N 2.81Å; L16-Q20 WeakPolarHBondContact O-CB 3.48Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.24Å; L16-Q20 PolarHBondContact O-N 2.89Å; L16-L38 HydrophobicContact CD2-CD2 4.25Å; L16-E64 HydrophobicContact CD2-CG 4.15Å; L16-I68 HydrophobicContact CD2-CD1 3.58Å |
| 17 | A | 91.9 | Very high | 89 | Confident | 58 Ų | 58 | 74.4 Ų | 74.4 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -24.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S13 | S13-A17 VanDerWaalsContact O-CB 3.25Å; S13-A17 WeakPolarHBondContact O-CB 3.37Å; S13-A17 PolarHBondContact O-N 2.93Å |
| 18 | F | 91.4 | Very high | 88.5 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 20% | 0.197 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75 | -47.4 | 171.7 | 174.9 | -92.4 | 0 | 0 | 0 | 111.9 | R14 A15 L16 Q20 S21 L23 Y25 Y31 F34 | R14-F18 PolarHBondContact O-N 2.84Å; A15-F18 WeakPolarHBondContact O-CB 3.36Å; A15-F18 PolarHBondContact O-N 3.18Å; L16-F18 PolarHBondContact O-N 2.72Å; F18-Q20 PolarHBondContact O-N 3.48Å; F18-S21 WeakPolarHBondContact O-CA 3.34Å; F18-S21 WeakPolarHBondContact O-CB 3.47Å; F18-S21 PolarHBondContact O-N 2.73Å; F18-S21 PolarHBondContact O-OG 3.38Å; F18-L23 HydrophobicContact CE2-CB 4.07Å; F18-L23 VanDerWaalsContact CZ-O 3.23Å; F18-L23 WeakPolarHBondContact CZ-O 3.44Å; F18-Y25 HydrophobicContact CD1-CD2 4.36Å; F18-Y25 AromaticContact CE1-CD2 3.65Å; F18-Y25 HydrophobicContact CE1-CD2 3.65Å; F18-Y25 HydrophobicContact CE1-CG 4.35Å; F18-Y25 AromaticContact CZ-CD2 3.76Å; F18-Y25 HydrophobicContact CZ-CD2 3.76Å; F18-Y25 HydrophobicContact CZ-CG 4.3Å; F18-Y31 HydrophobicContact CE1-CE2 4.32Å; F18-F34 HydrophobicContact CB-CZ 4.32Å; F18-F34 AromaticContact CD1-CE1 3.78Å; F18-F34 HydrophobicContact CD1-CE1 3.78Å; F18-F34 AromaticContact CD1-CZ 3.65Å; F18-F34 HydrophobicContact CD1-CZ 3.65Å; F18-F34 HydrophobicContact CE1-CE1 4.29Å; F18-F34 HydrophobicContact CG-CZ 4.3Å |
| 19 | I | 88.8 | Confident | 87.9 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 19% | 0.185 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 177.8 | -65.7 | 174 | 0 | 0 | 0 | 111.3 | A15 L16 S21 F34 L35 L38 I68 Y71 | A15-I19 PolarHBondContact O-N 3.39Å; L16-I19 PolarHBondContact O-N 2.81Å; I19-S21 PolarHBondContact O-N 3.49Å; I19-F34 HydrophobicContact CD1-CE1 4.09Å; I19-F34 HydrophobicContact CG1-CE1 3.88Å; I19-F34 HydrophobicContact CG1-CZ 4.31Å; I19-L35 HydrophobicContact CD1-CD2 3.56Å; I19-L35 HydrophobicContact CG1-CD2 4.2Å; I19-L38 HydrophobicContact CD1-CD2 3.41Å; I19-L38 VanDerWaalsContact CD1-CD2 3.41Å; I19-I68 HydrophobicContact CD1-CG2 4.28Å; I19-Y71 HydrophobicContact CG2-CD1 4.2Å; I19-Y71 HydrophobicContact CG2-CE1 3.97Å |
| 20 | Q | 88.1 | Confident | 87.7 | Confident | 149 Ų | 149 | 75.2 Ų | 75.2 | 70% | 0.696 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 0.6 | 174.1 | -66.6 | 170.8 | 4.4 | 0 | 0 | 113.6 | L16 F18 | L16-Q20 WeakPolarHBondContact O-CB 3.48Å; L16-Q20 VanDerWaalsContact O-CG 3.31Å; L16-Q20 WeakPolarHBondContact O-CG 3.24Å; L16-Q20 PolarHBondContact O-N 2.89Å; F18-Q20 PolarHBondContact O-N 3.48Å |
| 21 | S | 89.7 | Confident | 87.5 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 25% | 0.245 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -105.5 | 147.3 | 179.5 | 82.8 | 0 | 0 | 0 | 0 | 111.9 | F18 I19 L23 | F18-S21 WeakPolarHBondContact O-CA 3.34Å; F18-S21 WeakPolarHBondContact O-CB 3.47Å; F18-S21 PolarHBondContact O-N 2.73Å; F18-S21 PolarHBondContact O-OG 3.38Å; I19-S21 PolarHBondContact O-N 3.49Å; S21-L23 PolarHBondContact O-N 2.83Å |
| 22 | P | 82.4 | Confident | 87.4 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 86% | 0.864 | 43% | 0.426 | S | S | * | . | trans | -79.6 | 27.4 | 178.4 | 36 | -38.3 | 0 | 0 | 0 | 112.9 | ||||
| 23 | L | 83.9 | Confident | 87.2 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 61% | 0.613 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 126.8 | -175.3 | -62.3 | 178.2 | 0 | 0 | 0 | 110.5 | F18 S21 | F18-L23 HydrophobicContact CE2-CB 4.07Å; F18-L23 VanDerWaalsContact CZ-O 3.23Å; F18-L23 WeakPolarHBondContact CZ-O 3.44Å; S21-L23 PolarHBondContact O-N 2.83Å |
| 24 | A | 80.9 | Confident | 87.1 | Confident | 94 Ų | 94 | 74 Ų | 74 | 78% | 0.777 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 138.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 25 | Y | 84.8 | Confident | 87.1 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 26% | 0.255 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -70 | 130.6 | 179.6 | -172.7 | -103.5 | 0 | 0 | 0 | 110.8 | F18 D27 Y31 F34 | F18-Y25 HydrophobicContact CD1-CD2 4.36Å; F18-Y25 AromaticContact CE1-CD2 3.65Å; F18-Y25 HydrophobicContact CE1-CD2 3.65Å; F18-Y25 HydrophobicContact CE1-CG 4.35Å; F18-Y25 AromaticContact CZ-CD2 3.76Å; F18-Y25 HydrophobicContact CZ-CD2 3.76Å; F18-Y25 HydrophobicContact CZ-CG 4.3Å; Y25-D27 WeakPolarHBondContact CD1-O 3.4Å; Y25-D27 HydrophobicContact CE1-CB 4.21Å; Y25-D27 WeakPolarHBondContact CE1-O 3.34Å; Y25-D27 PolarHBondContact O-N 3.16Å; Y25-D27 VanDerWaalsContact O-N 3.12Å; Y25-Y31 AromaticContact CD1-CD2 3.75Å; Y25-Y31 HydrophobicContact CD1-CD2 3.75Å; Y25-Y31 HydrophobicContact CD1-CG 4.07Å; Y25-Y31 AromaticContact CD2-CD2 3.93Å; Y25-Y31 HydrophobicContact CD2-CD2 3.93Å; Y25-Y31 HydrophobicContact CD2-CE2 4.41Å; Y25-Y31 HydrophobicContact CE1-CD2 4.37Å; Y25-Y31 AromaticContact CG-CD2 3.49Å; Y25-Y31 HydrophobicContact CG-CD2 3.49Å; Y25-Y31 VanDerWaalsContact CG-CD2 3.49Å; Y25-Y31 HydrophobicContact CG-CE2 4.21Å; Y25-Y31 HydrophobicContact CG-CG 4.19Å; Y25-F34 HydrophobicContact CD2-CD1 4.47Å; Y25-F34 HydrophobicContact CD2-CG 4.43Å; Y25-F34 HydrophobicContact CE1-CB 4.46Å; Y25-F34 HydrophobicContact CE2-CB 3.97Å; Y25-F34 HydrophobicContact CE2-CD1 4.19Å; Y25-F34 AromaticContact CE2-CD2 3.85Å; Y25-F34 HydrophobicContact CE2-CD2 3.85Å; Y25-F34 HydrophobicContact CE2-CE2 4.42Å; Y25-F34 AromaticContact CE2-CG 3.73Å; Y25-F34 HydrophobicContact CE2-CG 3.73Å |
| 26 | P | 82.1 | Confident | 87.1 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 78% | 0.779 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -65.3 | -18 | -168.7 | -26.3 | 35.7 | 0 | 0 | 0 | 116.8 | ||
| 27 | D | 84.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 72 Ų | 72 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | trans | -134.5 | 91.4 | 179.7 | 174.9 | 11.1 | 0 | 0 | 0 | 110 | Y25 A29 G30 Y31 | Y25-D27 WeakPolarHBondContact CD1-O 3.4Å; Y25-D27 HydrophobicContact CE1-CB 4.21Å; Y25-D27 WeakPolarHBondContact CE1-O 3.34Å; Y25-D27 PolarHBondContact O-N 3.16Å; Y25-D27 VanDerWaalsContact O-N 3.12Å; D27-A29 PolarHBondContact O-N 3.27Å; D27-A29 VanDerWaalsContact O-N 3.08Å; D27-A29 PolarHBondContact OD1-N 3.21Å; D27-G30 PolarHBondContact O-N 3.21Å; D27-G30 PolarHBondContact OD1-N 3.32Å; D27-Y31 PolarHBondContact O-N 3.42Å | ||
| 28 | P | 78.7 | Confident | 87.2 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -55.3 | -28.4 | -177.4 | -28.9 | 36.5 | 0 | 0 | 0 | 114.6 | Y31 | P28-Y31 PolarHBondContact O-N 3.14Š|
| 29 | A | 79.4 | Confident | 87.4 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 73% | 0.727 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -72 | -34.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D27 Y31 | D27-A29 PolarHBondContact O-N 3.27Å; D27-A29 VanDerWaalsContact O-N 3.08Å; D27-A29 PolarHBondContact OD1-N 3.21Å; A29-Y31 VanDerWaalsContact C-N 3.34Å |
| 30 | G | 86.4 | Confident | 87.7 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -84.7 | 5.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D27 F34 | D27-G30 PolarHBondContact O-N 3.21Å; D27-G30 PolarHBondContact OD1-N 3.32Å; G30-F34 WeakPolarHBondContact O-CB 3.5Å; G30-F34 PolarHBondContact O-N 3.31Å |
| 31 | Y | 88.4 | Confident | 88 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 14% | 0.137 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75.4 | -38.4 | -175.8 | -171.3 | -132.2 | 0 | 0 | 0 | 112.8 | F18 Y25 D27 P28 A29 D33 F34 L35 Y71 I77 | F18-Y31 HydrophobicContact CE1-CE2 4.32Å; Y25-Y31 AromaticContact CD1-CD2 3.75Å; Y25-Y31 HydrophobicContact CD1-CD2 3.75Å; Y25-Y31 HydrophobicContact CD1-CG 4.07Å; Y25-Y31 AromaticContact CD2-CD2 3.93Å; Y25-Y31 HydrophobicContact CD2-CD2 3.93Å; Y25-Y31 HydrophobicContact CD2-CE2 4.41Å; Y25-Y31 HydrophobicContact CE1-CD2 4.37Å; Y25-Y31 AromaticContact CG-CD2 3.49Å; Y25-Y31 HydrophobicContact CG-CD2 3.49Å; Y25-Y31 VanDerWaalsContact CG-CD2 3.49Å; Y25-Y31 HydrophobicContact CG-CE2 4.21Å; Y25-Y31 HydrophobicContact CG-CG 4.19Å; D27-Y31 PolarHBondContact O-N 3.42Å; P28-Y31 PolarHBondContact O-N 3.14Å; A29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-D33 VanDerWaalsContact C-N 3.35Å; Y31-D33 PolarHBondContact O-N 3.24Å; Y31-F34 AromaticContact CD2-CD1 3.88Å; Y31-F34 HydrophobicContact CD2-CD1 3.88Å; Y31-F34 AromaticContact CE2-CD1 3.83Å; Y31-F34 HydrophobicContact CE2-CD1 3.83Å; Y31-F34 HydrophobicContact CE2-CE1 4.19Å; Y31-F34 WeakPolarHBondContact O-CB 3.28Å; Y31-F34 PolarHBondContact O-N 3.41Å; Y31-F34 VanDerWaalsContact O-N 3.17Å; Y31-L35 HydrophobicContact CD1-CD1 4.47Å; Y31-L35 HydrophobicContact CD2-CG 4.48Å; Y31-L35 HydrophobicContact CE1-CD1 3.97Å; Y31-L35 HydrophobicContact CE2-CD1 4.38Å; Y31-L35 HydrophobicContact CE2-CD2 4.14Å; Y31-L35 HydrophobicContact CE2-CG 4.11Å; Y31-L35 PolarHBondContact O-N 3.41Å; Y31-Y71 PolarHBondContact OH-OH 3.2Å; Y31-I77 HydrophobicContact CD1-CD1 3.43Å; Y31-I77 VanDerWaalsContact CD1-CD1 3.43Å; Y31-I77 HydrophobicContact CE1-CD1 3.66Å; Y31-I77 HydrophobicContact CG-CD1 4.4Å |
| 32 | Q | 88.7 | Confident | 88.2 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 172 | 177.6 | 169.8 | 24.1 | 0 | 0 | 111.8 | F34 L35 T36 I77 Q78 | Q32-F34 VanDerWaalsContact C-N 3.31Å; Q32-F34 PolarHBondContact O-N 3.22Å; Q32-L35 PolarHBondContact O-N 3.33Å; Q32-T36 VanDerWaalsContact O-CB 3.27Å; Q32-T36 WeakPolarHBondContact O-CB 3.46Å; Q32-T36 PolarHBondContact O-N 3.03Å; Q32-T36 PolarHBondContact O-OG1 3.5Å; Q32-I77 HydrophobicContact CB-CG2 3.94Å; Q32-I77 HydrophobicContact CG-CG2 3.75Å; Q32-Q78 PolarHBondContact NE2-O 2.77Å |
| 33 | D | 89.7 | Confident | 88.8 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 174.4 | -80.5 | -13.7 | 0 | 0 | 0 | 112.1 | Y31 R37 | Y31-D33 VanDerWaalsContact C-N 3.35Å; Y31-D33 PolarHBondContact O-N 3.24Å; D33-R37 WeakPolarHBondContact O-CB 3.45Å; D33-R37 PolarHBondContact O-N 2.69Å |
| 34 | F | 92.9 | Very high | 89.3 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -51 | 175.9 | 166.4 | -95.4 | 0 | 0 | 0 | 112 | A15 F18 I19 Y25 G30 Y31 Q32 R37 L38 | A15-F34 HydrophobicContact CB-CE2 3.71Å; A15-F34 HydrophobicContact CB-CZ 3.73Å; F18-F34 HydrophobicContact CB-CZ 4.32Å; F18-F34 AromaticContact CD1-CE1 3.78Å; F18-F34 HydrophobicContact CD1-CE1 3.78Å; F18-F34 AromaticContact CD1-CZ 3.65Å; F18-F34 HydrophobicContact CD1-CZ 3.65Å; F18-F34 HydrophobicContact CE1-CE1 4.29Å; F18-F34 HydrophobicContact CG-CZ 4.3Å; I19-F34 HydrophobicContact CD1-CE1 4.09Å; I19-F34 HydrophobicContact CG1-CE1 3.88Å; I19-F34 HydrophobicContact CG1-CZ 4.31Å; Y25-F34 HydrophobicContact CD2-CD1 4.47Å; Y25-F34 HydrophobicContact CD2-CG 4.43Å; Y25-F34 HydrophobicContact CE1-CB 4.46Å; Y25-F34 HydrophobicContact CE2-CB 3.97Å; Y25-F34 HydrophobicContact CE2-CD1 4.19Å; Y25-F34 AromaticContact CE2-CD2 3.85Å; Y25-F34 HydrophobicContact CE2-CD2 3.85Å; Y25-F34 HydrophobicContact CE2-CE2 4.42Å; Y25-F34 AromaticContact CE2-CG 3.73Å; Y25-F34 HydrophobicContact CE2-CG 3.73Å; G30-F34 WeakPolarHBondContact O-CB 3.5Å; G30-F34 PolarHBondContact O-N 3.31Å; Y31-F34 AromaticContact CD2-CD1 3.88Å; Y31-F34 HydrophobicContact CD2-CD1 3.88Å; Y31-F34 AromaticContact CE2-CD1 3.83Å; Y31-F34 HydrophobicContact CE2-CD1 3.83Å; Y31-F34 HydrophobicContact CE2-CE1 4.19Å; Y31-F34 WeakPolarHBondContact O-CB 3.28Å; Y31-F34 PolarHBondContact O-N 3.41Å; Y31-F34 VanDerWaalsContact O-N 3.17Å; Q32-F34 VanDerWaalsContact C-N 3.31Å; Q32-F34 PolarHBondContact O-N 3.22Å; F34-R37 PolarHBondContact O-N 3.18Å; F34-L38 PolarHBondContact O-N 2.96Å |
| 35 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -48.6 | 178.3 | -66.1 | -178.8 | 0 | 0 | 0 | 111.1 | I19 Y31 Q32 R37 L38 V39 A72 I77 I79 | I19-L35 HydrophobicContact CD1-CD2 3.56Å; I19-L35 HydrophobicContact CG1-CD2 4.2Å; Y31-L35 HydrophobicContact CD1-CD1 4.47Å; Y31-L35 HydrophobicContact CD2-CG 4.48Å; Y31-L35 HydrophobicContact CE1-CD1 3.97Å; Y31-L35 HydrophobicContact CE2-CD1 4.38Å; Y31-L35 HydrophobicContact CE2-CD2 4.14Å; Y31-L35 HydrophobicContact CE2-CG 4.11Å; Y31-L35 PolarHBondContact O-N 3.41Å; Q32-L35 PolarHBondContact O-N 3.33Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 2.71Å; L35-L38 WeakPolarHBondContact O-CB 3.29Å; L35-L38 PolarHBondContact O-N 3.49Å; L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 2.83Å; L35-A72 HydrophobicContact CD1-CB 3.84Å; L35-I77 HydrophobicContact CD1-CD1 3.76Å; L35-I77 HydrophobicContact CD1-CG2 4.35Å; L35-I79 HydrophobicContact CB-CD1 4.33Å |
| 36 | T | 92.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.8 | -46 | 178 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | Q32 L38 V39 C40 P80 L83 L237 | Q32-T36 VanDerWaalsContact O-CB 3.27Å; Q32-T36 WeakPolarHBondContact O-CB 3.46Å; Q32-T36 PolarHBondContact O-N 3.03Å; Q32-T36 PolarHBondContact O-OG1 3.5Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.78Å; T36-V39 PolarHBondContact O-N 3.49Å; T36-C40 PolarHBondContact O-N 2.86Å; T36-C40 PolarHBondContact O-SG 3.49Å; T36-P80 HydrophobicContact CG2-CG 4.27Å; T36-L83 HydrophobicContact CG2-CD2 4.33Å; T36-L237 HydrophobicContact CG2-CD2 3.96Å |
| 37 | R | 93.2 | Very high | 91 | Very high | 139 Ų | 139 | 37.6 Ų | 37.6 | 53% | 0.525 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -29.8 | 177.9 | -175.3 | 174.7 | 58.4 | 149.4 | -1.4 | 113.4 | D33 F34 L35 N41 | D33-R37 WeakPolarHBondContact O-CB 3.45Å; D33-R37 PolarHBondContact O-N 2.69Å; F34-R37 PolarHBondContact O-N 3.18Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 2.71Å; R37-N41 WeakPolarHBondContact O-CB 3.37Å; R37-N41 VanDerWaalsContact O-CG 3.31Å; R37-N41 PolarHBondContact O-N 2.82Å; R37-N41 PolarHBondContact O-ND2 2.98Å |
| 38 | L | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68 | -47.1 | 172.8 | 177.8 | 55 | 0 | 0 | 0 | 111.2 | I12 A15 L16 I19 F34 L35 T36 C40 N41 L42 I68 | I12-L38 HydrophobicContact CB-CD1 4.43Å; I12-L38 HydrophobicContact CG1-CD1 4.37Å; I12-L38 HydrophobicContact CG2-CD1 4.31Å; A15-L38 HydrophobicContact CB-CD1 3.77Å; A15-L38 HydrophobicContact CB-CD2 3.87Å; A15-L38 HydrophobicContact CB-CG 4.26Å; L16-L38 HydrophobicContact CD2-CD2 4.25Å; I19-L38 HydrophobicContact CD1-CD2 3.41Å; I19-L38 VanDerWaalsContact CD1-CD2 3.41Å; F34-L38 PolarHBondContact O-N 2.96Å; L35-L38 WeakPolarHBondContact O-CB 3.29Å; L35-L38 PolarHBondContact O-N 3.49Å; T36-L38 VanDerWaalsContact C-N 3.33Å; T36-L38 PolarHBondContact O-N 2.78Å; L38-C40 VanDerWaalsContact C-N 3.3Å; L38-C40 PolarHBondContact O-N 3.25Å; L38-N41 PolarHBondContact O-N 3.4Å; L38-L42 HydrophobicContact CD1-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CG 4.24Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 WeakPolarHBondContact O-CG 3.28Å; L38-L42 PolarHBondContact O-N 3.01Å; L38-I68 HydrophobicContact CD2-CD1 3.87Å; L38-I68 HydrophobicContact CD2-CG2 4.37Å; L38-I68 HydrophobicContact CG-CD1 4.16Å |
| 39 | V | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 175 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | L35 T36 L42 L43 A65 I68 I79 L83 L87 | L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 2.83Å; T36-V39 PolarHBondContact O-N 3.49Å; V39-L42 PolarHBondContact O-N 3.44Å; V39-L43 PolarHBondContact O-N 2.94Å; V39-A65 HydrophobicContact CG1-CB 4.19Å; V39-I68 HydrophobicContact CG2-CB 4.25Å; V39-I68 HydrophobicContact CG2-CG2 3.75Å; V39-I79 HydrophobicContact CG1-CG2 4.35Å; V39-I79 HydrophobicContact CG2-CD1 4.49Å; V39-L83 HydrophobicContact CB-CD2 4.06Å; V39-L83 HydrophobicContact CG1-CD1 4.07Å; V39-L83 HydrophobicContact CG1-CD2 3.65Å; V39-L83 HydrophobicContact CG1-CG 3.73Å; V39-L87 HydrophobicContact CG1-CD1 3.66Å |
| 40 | C | 94 | Very high | 92.9 | Very high | 15 Ų | 15 | 26 Ų | 26 | 10% | 0.101 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 171.8 | -69 | 0 | 0 | 0 | 0 | 112.9 | T36 L38 L42 L43 E44 L233 | T36-C40 PolarHBondContact O-N 2.86Å; T36-C40 PolarHBondContact O-SG 3.49Å; L38-C40 VanDerWaalsContact C-N 3.3Å; L38-C40 PolarHBondContact O-N 3.25Å; C40-L42 VanDerWaalsContact C-N 3.29Å; C40-L42 PolarHBondContact O-N 3.04Å; C40-L43 PolarHBondContact O-N 2.87Å; C40-E44 PolarHBondContact O-N 2.99Å; C40-L233 HydrophobicContact CB-CD1 4.47Å; C40-L233 HydrophobicContact CB-CD2 3.75Å; C40-L233 HydrophobicContact CB-CG 4.3Å |
| 41 | N | 94.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 30 Ų | 30 | 13% | 0.134 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 179.7 | -80.3 | -21.8 | 0 | 0 | 0 | 112 | R8 I12 R37 L38 E45 | R8-N41 WeakPolarHBondContact CD-O 3.49Å; R8-N41 HydrophobicContact CG-CB 4.1Å; I12-N41 HydrophobicContact CD1-CB 4.11Å; I12-N41 HydrophobicContact CG1-CB 3.71Å; R37-N41 WeakPolarHBondContact O-CB 3.37Å; R37-N41 VanDerWaalsContact O-CG 3.31Å; R37-N41 PolarHBondContact O-N 2.82Å; R37-N41 PolarHBondContact O-ND2 2.98Å; L38-N41 PolarHBondContact O-N 3.4Å; N41-E45 WeakPolarHBondContact O-CB 3.24Å; N41-E45 PolarHBondContact O-N 3.17Å |
| 42 | L | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -39.6 | 177.1 | -74.7 | 163.4 | 0 | 0 | 0 | 112.2 | I12 L38 V39 C40 E45 G46 L61 E64 A65 I68 | I12-L42 HydrophobicContact CD1-CD2 4.32Å; I12-L42 HydrophobicContact CG1-CD2 4.45Å; I12-L42 HydrophobicContact CG1-CG 4.48Å; I12-L42 HydrophobicContact CG2-CD2 3.59Å; I12-L42 HydrophobicContact CG2-CG 4.21Å; L38-L42 HydrophobicContact CD1-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CG 4.24Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 WeakPolarHBondContact O-CG 3.28Å; L38-L42 PolarHBondContact O-N 3.01Å; V39-L42 PolarHBondContact O-N 3.44Å; C40-L42 VanDerWaalsContact C-N 3.29Å; C40-L42 PolarHBondContact O-N 3.04Å; L42-E45 PolarHBondContact O-N 2.98Å; L42-G46 PolarHBondContact O-N 2.76Å; L42-L61 HydrophobicContact CD2-CD2 3.75Å; L42-E64 HydrophobicContact CD1-CG 4.35Å; L42-A65 HydrophobicContact CB-CB 3.75Å; L42-A65 HydrophobicContact CD1-CB 4.2Å; L42-I68 HydrophobicContact CD1-CD1 3.39Å |
| 43 | L | 94.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.9 | -50 | 171 | 175 | 64.8 | 0 | 0 | 0 | 111.1 | V39 C40 E45 G46 N47 F62 L83 L87 L233 | V39-L43 PolarHBondContact O-N 2.94Å; C40-L43 PolarHBondContact O-N 2.87Å; L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 2.69Å; L43-G46 PolarHBondContact O-N 3.44Å; L43-N47 WeakPolarHBondContact O-CB 3.33Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-OD1 2.94Å; L43-F62 HydrophobicContact CD1-CD1 4.21Å; L43-F62 HydrophobicContact CD1-CE1 3.91Å; L43-L83 HydrophobicContact CB-CD1 4.25Å; L43-L83 HydrophobicContact CD2-CD1 3.5Å; L43-L83 VanDerWaalsContact CD2-CD1 3.5Å; L43-L83 HydrophobicContact CG-CD1 4.48Å; L43-L87 HydrophobicContact CB-CD2 4.02Å; L43-L87 HydrophobicContact CD1-CD2 3.91Å; L43-L87 HydrophobicContact CD1-CG 4.35Å; L43-L233 HydrophobicContact CD2-CD1 4.21Å; L43-L233 HydrophobicContact CD2-CD2 4.17Å |
| 44 | E | 94.4 | Very high | 93.9 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.2 | -35.4 | 179 | -72.6 | -174.7 | -168.4 | 0 | 0 | 113.3 | R8 C40 A48 L233 | R8-E44 IonicContact CZ-OE2 2.79Å; R8-E44 IonicContact NE-OE2 2.69Å; R8-E44 PolarHBondContact NE-OE2 3.41Å; R8-E44 IonicContact NH2-OE2 2.87Å; R8-E44 PolarHBondContact NH2-OE2 3.07Å; C40-E44 PolarHBondContact O-N 2.99Å; E44-A48 PolarHBondContact O-N 3.44Å; E44-L233 HydrophobicContact CG-CD2 3.99Å |
| 45 | E | 94.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -78.3 | -41.2 | 178.8 | -165 | 57.8 | -148.6 | 0 | 0 | 111.6 | R5 R8 K9 I12 N41 L42 L43 N47 A48 F49 L61 | R5-E45 WeakPolarHBondContact CG-OE1 3.17Å; R5-E45 WeakPolarHBondContact CG-OE2 3.33Å; R5-E45 IonicContact CZ-OE1 2.68Å; R5-E45 IonicContact NE-OE1 2.65Å; R5-E45 PolarHBondContact NE-OE1 2.87Å; R5-E45 IonicContact NE-OE2 2.86Å; R5-E45 IonicContact NH2-OE1 2.77Å; R5-E45 PolarHBondContact NH2-OE1 3.28Å; R8-E45 IonicContact CZ-OE2 3.72Å; R8-E45 IonicContact NH1-OE2 3.36Å; R8-E45 PolarHBondContact NH1-OE2 3.39Å; K9-E45 WeakPolarHBondContact CE-OE1 3.17Å; K9-E45 HydrophobicContact CG-CG 4.41Å; K9-E45 IonicContact NZ-OE1 3.54Å; I12-E45 HydrophobicContact CD1-CB 3.85Å; I12-E45 HydrophobicContact CD1-CG 4.2Å; N41-E45 WeakPolarHBondContact O-CB 3.24Å; N41-E45 PolarHBondContact O-N 3.17Å; L42-E45 PolarHBondContact O-N 2.98Å; L43-E45 VanDerWaalsContact C-N 3.29Å; L43-E45 PolarHBondContact O-N 2.69Å; E45-N47 VanDerWaalsContact C-N 3.32Å; E45-N47 PolarHBondContact O-N 3.42Å; E45-A48 WeakPolarHBondContact O-CA 3.44Å; E45-A48 WeakPolarHBondContact O-CB 3.2Å; E45-A48 PolarHBondContact O-N 3.35Å; E45-F49 HydrophobicContact CG-CD2 4.14Å; E45-F49 HydrophobicContact CG-CE2 3.94Å; E45-F49 VanDerWaalsContact O-CD2 3.3Å; E45-F49 WeakPolarHBondContact O-CD2 3.36Å; E45-F49 PolarHBondContact O-N 2.87Å; E45-F49 WeakPolarHBondContact OE1-CE2 3.21Å; E45-L61 HydrophobicContact CB-CD1 4.3Å; E45-L61 HydrophobicContact CG-CD1 4.01Å |
| 46 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | L42 L43 A48 F49 F50 A58 F62 | L42-G46 PolarHBondContact O-N 2.76Å; L43-G46 PolarHBondContact O-N 3.44Å; G46-A48 VanDerWaalsContact C-N 3.29Å; G46-A48 PolarHBondContact O-N 3.08Å; G46-F49 PolarHBondContact O-N 2.9Å; G46-F50 WeakPolarHBondContact O-CB 3.36Å; G46-F50 PolarHBondContact O-N 3.02Å; G46-A58 WeakPolarHBondContact O-CB 3.14Å; G46-F62 VanDerWaalsContact C-CE1 3.5Å; G46-F62 VanDerWaalsContact C-CZ 3.41Å |
| 47 | N | 94.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 173.2 | -67.2 | -2.5 | 0 | 0 | 0 | 112.5 | L43 E45 F50 R51 F62 N90 V228 D230 | L43-N47 WeakPolarHBondContact O-CB 3.33Å; L43-N47 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-OD1 2.94Å; E45-N47 VanDerWaalsContact C-N 3.32Å; E45-N47 PolarHBondContact O-N 3.42Å; N47-F50 PolarHBondContact O-N 3.19Å; N47-R51 PolarHBondContact O-N 3.31Å; N47-R51 PolarHBondContact O-NH1 2.79Å; N47-F62 WeakPolarHBondContact OD1-CE1 3.41Å; N47-F62 VanDerWaalsContact OD1-CZ 3.24Å; N47-F62 WeakPolarHBondContact OD1-CZ 3.35Å; N47-N90 PolarHBondContact ND2-ND2 2.73Å; N47-N90 PolarHBondContact OD1-ND2 3.24Å; N47-V228 HydrophobicContact CB-CG1 4.24Å; N47-D230 WeakPolarHBondContact CB-OD1 3.3Å; N47-D230 PolarHBondContact ND2-OD1 2.77Å |
| 48 | A | 93.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 7% | 0.074 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | E44 E45 G46 R51 D52 | E44-A48 PolarHBondContact O-N 3.44Å; E45-A48 WeakPolarHBondContact O-CA 3.44Å; E45-A48 WeakPolarHBondContact O-CB 3.2Å; E45-A48 PolarHBondContact O-N 3.35Å; G46-A48 VanDerWaalsContact C-N 3.29Å; G46-A48 PolarHBondContact O-N 3.08Å; A48-R51 WeakPolarHBondContact O-CB 3.34Å; A48-R51 PolarHBondContact O-N 3.06Å; A48-D52 PolarHBondContact O-N 2.89Å |
| 49 | F | 94.3 | Very high | 94.5 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 10% | 0.096 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 172.7 | -79.8 | -79.7 | 0 | 0 | 0 | 112.7 | E45 G46 R51 D52 Q53 Q54 E57 A58 L61 | E45-F49 HydrophobicContact CG-CD2 4.14Å; E45-F49 HydrophobicContact CG-CE2 3.94Å; E45-F49 VanDerWaalsContact O-CD2 3.3Å; E45-F49 WeakPolarHBondContact O-CD2 3.36Å; E45-F49 PolarHBondContact O-N 2.87Å; E45-F49 WeakPolarHBondContact OE1-CE2 3.21Å; G46-F49 PolarHBondContact O-N 2.9Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 3.4Å; F49-D52 CarbonylContact O-C 3.04Å; F49-D52 PolarHBondContact O-N 3.45Å; F49-D52 VanDerWaalsContact O-N 3.14Å; F49-Q53 PolarHBondContact O-N 3.47Å; F49-Q54 HydrophobicContact CB-CB 4.45Å; F49-Q54 HydrophobicContact CD1-CB 3.98Å; F49-Q54 VanDerWaalsContact CD1-OE1 3.24Å; F49-Q54 PolarHBondContact O-N 2.76Å; F49-E57 HydrophobicContact CB-CB 4.3Å; F49-E57 HydrophobicContact CD1-CB 3.77Å; F49-E57 HydrophobicContact CD1-CG 4.48Å; F49-E57 HydrophobicContact CE1-CB 4.17Å; F49-E57 HydrophobicContact CE1-CG 4.48Å; F49-E57 HydrophobicContact CG-CB 4.02Å; F49-A58 HydrophobicContact CB-CB 4.18Å; F49-L61 HydrophobicContact CD2-CD1 3.34Å; F49-L61 HydrophobicContact CE2-CD1 3.63Å; F49-L61 HydrophobicContact CG-CD1 4.32Å |
| 50 | F | 93.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -33.4 | 171.9 | -169.8 | -110.6 | 0 | 0 | 0 | 111.1 | G46 N47 Q53 W55 A58 A93 A94 V228 | G46-F50 WeakPolarHBondContact O-CB 3.36Å; G46-F50 PolarHBondContact O-N 3.02Å; N47-F50 PolarHBondContact O-N 3.19Å; F50-Q53 PolarHBondContact O-N 2.85Å; F50-W55 HydrophobicContact CD1-CZ3 4.47Å; F50-W55 AromaticContact CD2-CE3 3.26Å; F50-W55 HydrophobicContact CD2-CE3 3.26Å; F50-W55 AromaticContact CD2-CZ3 3.38Å; F50-W55 HydrophobicContact CD2-CZ3 3.38Å; F50-W55 HydrophobicContact CE1-CZ3 4.47Å; F50-W55 AromaticContact CE2-CE3 3.42Å; F50-W55 HydrophobicContact CE2-CE3 3.42Å; F50-W55 VanDerWaalsContact CE2-CE3 3.42Å; F50-W55 HydrophobicContact CE2-CH2 4.39Å; F50-W55 AromaticContact CE2-CZ3 3.3Å; F50-W55 HydrophobicContact CE2-CZ3 3.3Å; F50-W55 HydrophobicContact CG-CE3 4.12Å; F50-W55 AromaticContact CG-CZ3 3.93Å; F50-W55 HydrophobicContact CG-CZ3 3.93Å; F50-W55 HydrophobicContact CZ-CE3 4.43Å; F50-W55 AromaticContact CZ-CZ3 3.9Å; F50-W55 HydrophobicContact CZ-CZ3 3.9Å; F50-W55 WeakPolarHBondContact O-CZ3 3.32Å; F50-A58 HydrophobicContact CB-CB 3.87Å; F50-A93 HydrophobicContact CE1-CB 4.31Å; F50-A93 HydrophobicContact CE2-CB 4.3Å; F50-A93 HydrophobicContact CZ-CB 3.77Å; F50-A94 HydrophobicContact CD2-CB 3.84Å; F50-A94 HydrophobicContact CE2-CB 4Å; F50-V228 HydrophobicContact CB-CG2 4.49Å; F50-V228 HydrophobicContact CD1-CB 3.86Å; F50-V228 HydrophobicContact CD1-CG1 3.61Å; F50-V228 HydrophobicContact CD1-CG2 3.25Å; F50-V228 HydrophobicContact CE1-CB 4.25Å; F50-V228 HydrophobicContact CE1-CG1 4.32Å; F50-V228 HydrophobicContact CE1-CG2 3.65Å; F50-V228 HydrophobicContact CG-CG2 4.16Å |
| 51 | R | 93.5 | Very high | 94.7 | Very high | 96 Ų | 96 | 44 Ų | 44 | 36% | 0.362 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.2 | -34.9 | 170.4 | -80.2 | -174.6 | -67.3 | -83.5 | 19.9 | 113.7 | N47 A48 F49 Q53 V228 D230 | N47-R51 PolarHBondContact O-N 3.31Å; N47-R51 PolarHBondContact O-NH1 2.79Å; A48-R51 WeakPolarHBondContact O-CB 3.34Å; A48-R51 PolarHBondContact O-N 3.06Å; F49-R51 VanDerWaalsContact C-N 3.29Å; F49-R51 PolarHBondContact O-N 3.4Å; R51-Q53 PolarHBondContact O-N 3.02Å; R51-V228 HydrophobicContact CB-CG2 4.19Å; R51-V228 HydrophobicContact CG-CB 3.46Å; R51-V228 VanDerWaalsContact CG-CB 3.46Å; R51-V228 HydrophobicContact CG-CG1 3.84Å; R51-V228 HydrophobicContact CG-CG2 3.38Å; R51-D230 IonicContact CZ-OD1 3.59Å; R51-D230 IonicContact CZ-OD2 3.68Å; R51-D230 IonicContact NH1-OD1 3.63Å; R51-D230 PolarHBondContact NH1-OD1 3.24Å; R51-D230 IonicContact NH1-OD2 2.67Å; R51-D230 PolarHBondContact NH1-OD2 3.45Å; R51-D230 IonicContact NH2-OD1 2.86Å; R51-D230 IonicContact NH2-OD2 2.71Å; R51-D230 PolarHBondContact NH2-OD2 3.24Å |
| 52 | D | 92.6 | Very high | 94.8 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 41% | 0.406 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 5.1 | 176.8 | -58.6 | -32.9 | 0 | 0 | 0 | 112.9 | R5 A48 F49 Q54 | R5-D52 IonicContact CZ-OD2 3.02Å; R5-D52 IonicContact NH1-OD1 3.71Å; R5-D52 IonicContact NH1-OD2 3.47Å; R5-D52 PolarHBondContact NH1-OD2 3.42Å; R5-D52 IonicContact NH2-OD2 3.67Å; R5-D52 PolarHBondContact NH2-OD2 3.27Å; A48-D52 PolarHBondContact O-N 2.89Å; F49-D52 CarbonylContact O-C 3.04Å; F49-D52 PolarHBondContact O-N 3.45Å; F49-D52 VanDerWaalsContact O-N 3.14Å; D52-Q54 HydrophobicContact CB-CG 4.33Å; D52-Q54 PolarHBondContact O-N 3.47Å |
| 53 | Q | 92.6 | Very high | 94.9 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 53% | 0.533 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 19.9 | -175 | -55.5 | 170.1 | 30.7 | 0 | 0 | 113.9 | F49 F50 R51 W55 L226 | F49-Q53 PolarHBondContact O-N 3.47Å; F50-Q53 PolarHBondContact O-N 2.85Å; R51-Q53 PolarHBondContact O-N 3.02Å; Q53-W55 HydrophobicContact CB-CH2 4.3Å; Q53-W55 HydrophobicContact CB-CZ2 3.94Å; Q53-W55 HydrophobicContact CG-CH2 4.14Å; Q53-W55 HydrophobicContact CG-CZ2 4.05Å; Q53-W55 PolarHBondContact O-N 2.93Å; Q53-L226 HydrophobicContact CG-CD1 3.88Å; Q53-L226 HydrophobicContact CG-CD2 3.99Å; Q53-L226 VanDerWaalsContact NE2-CD1 3.3Å |
| 54 | Q | 94.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 47 Ų | 47 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | trans | -95.6 | 70.9 | 178.4 | -66.9 | -174.4 | -11.3 | 0 | 0 | 109.1 | F49 D52 E56 E57 A58 | F49-Q54 HydrophobicContact CB-CB 4.45Å; F49-Q54 HydrophobicContact CD1-CB 3.98Å; F49-Q54 VanDerWaalsContact CD1-OE1 3.24Å; F49-Q54 PolarHBondContact O-N 2.76Å; D52-Q54 HydrophobicContact CB-CG 4.33Å; D52-Q54 PolarHBondContact O-N 3.47Å; Q54-E56 VanDerWaalsContact C-N 3.33Å; Q54-E56 PolarHBondContact O-N 3.32Å; Q54-E57 HydrophobicContact CB-CB 4.46Å; Q54-E57 PolarHBondContact O-N 2.71Å; Q54-A58 PolarHBondContact O-N 2.78Å; Q54-A58 VanDerWaalsContact O-N 3.09Å | ||
| 55 | W | 94.4 | Very high | 95 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 19% | 0.186 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | -169.9 | -42.9 | 124.1 | 0 | 0 | 0 | 112.7 | F50 Q53 E57 A58 V59 M98 L226 | F50-W55 HydrophobicContact CD1-CZ3 4.47Å; F50-W55 AromaticContact CD2-CE3 3.26Å; F50-W55 HydrophobicContact CD2-CE3 3.26Å; F50-W55 AromaticContact CD2-CZ3 3.38Å; F50-W55 HydrophobicContact CD2-CZ3 3.38Å; F50-W55 HydrophobicContact CE1-CZ3 4.47Å; F50-W55 AromaticContact CE2-CE3 3.42Å; F50-W55 HydrophobicContact CE2-CE3 3.42Å; F50-W55 VanDerWaalsContact CE2-CE3 3.42Å; F50-W55 HydrophobicContact CE2-CH2 4.39Å; F50-W55 AromaticContact CE2-CZ3 3.3Å; F50-W55 HydrophobicContact CE2-CZ3 3.3Å; F50-W55 HydrophobicContact CG-CE3 4.12Å; F50-W55 AromaticContact CG-CZ3 3.93Å; F50-W55 HydrophobicContact CG-CZ3 3.93Å; F50-W55 HydrophobicContact CZ-CE3 4.43Å; F50-W55 AromaticContact CZ-CZ3 3.9Å; F50-W55 HydrophobicContact CZ-CZ3 3.9Å; F50-W55 WeakPolarHBondContact O-CZ3 3.32Å; Q53-W55 HydrophobicContact CB-CH2 4.3Å; Q53-W55 HydrophobicContact CB-CZ2 3.94Å; Q53-W55 HydrophobicContact CG-CH2 4.14Å; Q53-W55 HydrophobicContact CG-CZ2 4.05Å; Q53-W55 PolarHBondContact O-N 2.93Å; W55-E57 PolarHBondContact O-N 3.08Å; W55-A58 WeakPolarHBondContact O-CB 3.35Å; W55-A58 PolarHBondContact O-N 2.97Å; W55-V59 WeakPolarHBondContact O-CG2 3.46Å; W55-V59 PolarHBondContact O-N 2.89Å; W55-M98 HydrophobicContact CB-CG 3.54Å; W55-M98 HydrophobicContact CB-SD 3.99Å; W55-M98 HydrophobicContact CG-CG 4.21Å; W55-L226 HydrophobicContact CH2-CD2 4.04Å; W55-L226 HydrophobicContact CH2-CG 4.44Å |
| 56 | E | 95.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.6 | -65.1 | 69.2 | -158.3 | 0 | 0 | 111.6 | Q54 V59 R60 M98 | Q54-E56 VanDerWaalsContact C-N 3.33Å; Q54-E56 PolarHBondContact O-N 3.32Å; E56-V59 PolarHBondContact O-N 3.31Å; E56-R60 WeakPolarHBondContact O-CB 3.5Å; E56-R60 PolarHBondContact O-N 3.12Å; E56-M98 HydrophobicContact CG-CE 3.73Å; E56-M98 WeakPolarHBondContact OE1-CE 3.4Å |
| 57 | E | 94.7 | Very high | 95.1 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.8 | -32.5 | 178.4 | -75.1 | -66.5 | 114.3 | 0 | 0 | 111.8 | F49 Q54 W55 R60 L61 | F49-E57 HydrophobicContact CB-CB 4.3Å; F49-E57 HydrophobicContact CD1-CB 3.77Å; F49-E57 HydrophobicContact CD1-CG 4.48Å; F49-E57 HydrophobicContact CE1-CB 4.17Å; F49-E57 HydrophobicContact CE1-CG 4.48Å; F49-E57 HydrophobicContact CG-CB 4.02Å; Q54-E57 HydrophobicContact CB-CB 4.46Å; Q54-E57 PolarHBondContact O-N 2.71Å; W55-E57 PolarHBondContact O-N 3.08Å; E57-R60 PolarHBondContact O-N 3.37Å; E57-R60 IonicContact OE1-CZ 3.84Å; E57-R60 IonicContact OE1-NE 2.8Å; E57-R60 PolarHBondContact OE1-NE 2.87Å; E57-R60 IonicContact OE1-NH2 2.65Å; E57-R60 IonicContact OE2-CZ 2.74Å; E57-R60 IonicContact OE2-NE 2.6Å; E57-R60 PolarHBondContact OE2-NE 3.33Å; E57-R60 VanDerWaalsContact OE2-NE 3.16Å; E57-R60 IonicContact OE2-NH2 2.74Å; E57-R60 PolarHBondContact OE2-NH2 3.18Å; E57-L61 WeakPolarHBondContact O-CG 3.16Å; E57-L61 PolarHBondContact O-N 3.07Å |
| 58 | A | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -50 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G46 F49 F50 Q54 W55 R60 L61 F62 | G46-A58 WeakPolarHBondContact O-CB 3.14Å; F49-A58 HydrophobicContact CB-CB 4.18Å; F50-A58 HydrophobicContact CB-CB 3.87Å; Q54-A58 PolarHBondContact O-N 2.78Å; Q54-A58 VanDerWaalsContact O-N 3.09Å; W55-A58 WeakPolarHBondContact O-CB 3.35Å; W55-A58 PolarHBondContact O-N 2.97Å; A58-R60 VanDerWaalsContact C-N 3.28Å; A58-R60 PolarHBondContact O-N 3.28Å; A58-L61 PolarHBondContact O-N 3.17Å; A58-F62 HydrophobicContact CB-CD2 4.45Å; A58-F62 HydrophobicContact CB-CE2 3.88Å; A58-F62 HydrophobicContact CB-CZ 4.33Å; A58-F62 WeakPolarHBondContact O-CD2 3.38Å; A58-F62 VanDerWaalsContact O-CG 3.24Å; A58-F62 WeakPolarHBondContact O-CG 3.33Å; A58-F62 PolarHBondContact O-N 3.5Å |
| 59 | V | 97.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.4 | -43.7 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | W55 E56 L61 T63 R91 A94 Y95 M98 | W55-V59 WeakPolarHBondContact O-CG2 3.46Å; W55-V59 PolarHBondContact O-N 2.89Å; E56-V59 PolarHBondContact O-N 3.31Å; V59-L61 PolarHBondContact O-N 3.33Å; V59-T63 VanDerWaalsContact O-CB 3.26Å; V59-T63 WeakPolarHBondContact O-CB 3.43Å; V59-T63 PolarHBondContact O-N 3.05Å; V59-T63 PolarHBondContact O-OG1 3.33Å; V59-R91 HydrophobicContact CG1-CG 4.35Å; V59-R91 HydrophobicContact CG2-CG 4.33Å; V59-A94 HydrophobicContact CG2-CB 3.53Å; V59-Y95 HydrophobicContact CB-CE1 4.43Å; V59-Y95 HydrophobicContact CG1-CD1 4.47Å; V59-Y95 HydrophobicContact CG1-CE1 3.58Å; V59-Y95 HydrophobicContact CG2-CD1 3.96Å; V59-Y95 HydrophobicContact CG2-CE1 3.89Å; V59-M98 HydrophobicContact CG2-SD 3.9Å |
| 60 | R | 96.5 | Very high | 95 | Very high | 131 Ų | 131 | 51 Ų | 51 | 49% | 0.494 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 178.7 | -167 | 179 | 66 | 68.9 | 2.2 | 111.9 | E56 E57 A58 E64 | E56-R60 WeakPolarHBondContact O-CB 3.5Å; E56-R60 PolarHBondContact O-N 3.12Å; E57-R60 PolarHBondContact O-N 3.37Å; E57-R60 IonicContact OE1-CZ 3.84Å; E57-R60 IonicContact OE1-NE 2.8Å; E57-R60 PolarHBondContact OE1-NE 2.87Å; E57-R60 IonicContact OE1-NH2 2.65Å; E57-R60 IonicContact OE2-CZ 2.74Å; E57-R60 IonicContact OE2-NE 2.6Å; E57-R60 PolarHBondContact OE2-NE 3.33Å; E57-R60 VanDerWaalsContact OE2-NE 3.16Å; E57-R60 IonicContact OE2-NH2 2.74Å; E57-R60 PolarHBondContact OE2-NH2 3.18Å; A58-R60 VanDerWaalsContact C-N 3.28Å; A58-R60 PolarHBondContact O-N 3.28Å; R60-E64 PolarHBondContact O-N 3.04Å |
| 61 | L | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.5 | -38.4 | -179.6 | -69.5 | 167.9 | 0 | 0 | 0 | 113.3 | L42 E45 F49 E57 A58 V59 T63 E64 A65 | L42-L61 HydrophobicContact CD2-CD2 3.75Å; E45-L61 HydrophobicContact CB-CD1 4.3Å; E45-L61 HydrophobicContact CG-CD1 4.01Å; F49-L61 HydrophobicContact CD2-CD1 3.34Å; F49-L61 HydrophobicContact CE2-CD1 3.63Å; F49-L61 HydrophobicContact CG-CD1 4.32Å; E57-L61 WeakPolarHBondContact O-CG 3.16Å; E57-L61 PolarHBondContact O-N 3.07Å; A58-L61 PolarHBondContact O-N 3.17Å; V59-L61 PolarHBondContact O-N 3.33Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-E64 PolarHBondContact O-N 3.39Å; L61-A65 PolarHBondContact O-N 3.21Å |
| 62 | F | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 173.1 | -58.1 | -39.2 | 0 | 0 | 0 | 111.8 | L43 G46 N47 A58 A65 L66 L87 N90 R91 A94 | L43-F62 HydrophobicContact CD1-CD1 4.21Å; L43-F62 HydrophobicContact CD1-CE1 3.91Å; G46-F62 VanDerWaalsContact C-CE1 3.5Å; G46-F62 VanDerWaalsContact C-CZ 3.41Å; N47-F62 WeakPolarHBondContact OD1-CE1 3.41Å; N47-F62 VanDerWaalsContact OD1-CZ 3.24Å; N47-F62 WeakPolarHBondContact OD1-CZ 3.35Å; A58-F62 HydrophobicContact CB-CD2 4.45Å; A58-F62 HydrophobicContact CB-CE2 3.88Å; A58-F62 HydrophobicContact CB-CZ 4.33Å; A58-F62 WeakPolarHBondContact O-CD2 3.38Å; A58-F62 VanDerWaalsContact O-CG 3.24Å; A58-F62 WeakPolarHBondContact O-CG 3.33Å; A58-F62 PolarHBondContact O-N 3.5Å; F62-A65 PolarHBondContact O-N 2.89Å; F62-L66 WeakPolarHBondContact O-CG 2.98Å; F62-L66 PolarHBondContact O-N 2.92Å; F62-L87 HydrophobicContact CB-CD2 4.22Å; F62-L87 HydrophobicContact CD1-CD2 3.95Å; F62-L87 HydrophobicContact CG-CD2 4.49Å; F62-N90 HydrophobicContact CE1-CB 4.22Å; F62-N90 HydrophobicContact CE2-CB 3.94Å; F62-N90 WeakPolarHBondContact CE2-O 3.21Å; F62-N90 HydrophobicContact CZ-CB 3.77Å; F62-R91 HydrophobicContact CB-CB 3.89Å; F62-R91 HydrophobicContact CB-CG 4.17Å; F62-R91 HydrophobicContact CD2-CB 3.86Å; F62-R91 HydrophobicContact CD2-CG 4.32Å; F62-R91 HydrophobicContact CG-CB 4.26Å; F62-A94 HydrophobicContact CE2-CB 4.48Å |
| 63 | T | 96.7 | Very high | 94.7 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 23% | 0.233 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.2 | -57 | 0 | 0 | 0 | 0 | 111.3 | V59 L61 A65 L66 N67 R91 | V59-T63 VanDerWaalsContact O-CB 3.26Å; V59-T63 WeakPolarHBondContact O-CB 3.43Å; V59-T63 PolarHBondContact O-N 3.05Å; V59-T63 PolarHBondContact O-OG1 3.33Å; L61-T63 VanDerWaalsContact C-N 3.33Å; T63-A65 VanDerWaalsContact C-N 3.34Å; T63-A65 PolarHBondContact O-N 3.06Å; T63-L66 PolarHBondContact O-N 3.22Å; T63-N67 PolarHBondContact O-N 2.97Å; T63-N67 PolarHBondContact O-ND2 2.99Å; T63-N67 PolarHBondContact O-OD1 3.28Å; T63-R91 WeakPolarHBondContact OG1-CD 3.49Å; T63-R91 PolarHBondContact OG1-NH1 3.43Å |
| 64 | E | 95.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.271 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.8 | -169.7 | 70.5 | 163.4 | 0 | 0 | 112.4 | L16 L42 R60 L61 L66 N67 I68 | L16-E64 HydrophobicContact CD2-CG 4.15Å; L42-E64 HydrophobicContact CD1-CG 4.35Å; R60-E64 PolarHBondContact O-N 3.04Å; L61-E64 PolarHBondContact O-N 3.39Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3.44Å; E64-N67 WeakPolarHBondContact O-CB 3.17Å; E64-N67 PolarHBondContact O-N 3.17Å; E64-N67 PolarHBondContact OE2-ND2 2.68Å; E64-N67 VanDerWaalsContact OE2-ND2 3.15Å; E64-I68 HydrophobicContact CG-CD1 4.06Å; E64-I68 VanDerWaalsContact O-CD1 3.31Å; E64-I68 WeakPolarHBondContact O-CD1 3.47Å; E64-I68 VanDerWaalsContact O-CG1 3.29Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 3.34Å |
| 65 | A | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | V39 L42 L61 F62 T63 S69 L87 | V39-A65 HydrophobicContact CG1-CB 4.19Å; L42-A65 HydrophobicContact CB-CB 3.75Å; L42-A65 HydrophobicContact CD1-CB 4.2Å; L61-A65 PolarHBondContact O-N 3.21Å; F62-A65 PolarHBondContact O-N 2.89Å; T63-A65 VanDerWaalsContact C-N 3.34Å; T63-A65 PolarHBondContact O-N 3.06Å; A65-S69 PolarHBondContact O-N 3.25Å; A65-S69 VanDerWaalsContact O-N 3.11Å; A65-S69 PolarHBondContact O-OG 3.48Å; A65-L87 HydrophobicContact CB-CD1 3.77Å; A65-L87 HydrophobicContact CB-CD2 3.49Å; A65-L87 VanDerWaalsContact CB-CD2 3.49Å; A65-L87 HydrophobicContact CB-CG 4.31Å |
| 66 | L | 95.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 174.3 | -71.1 | 167.4 | 0 | 0 | 0 | 111.3 | F62 T63 E64 I68 S69 T70 L84 L87 Y88 | F62-L66 WeakPolarHBondContact O-CG 2.98Å; F62-L66 PolarHBondContact O-N 2.92Å; T63-L66 PolarHBondContact O-N 3.22Å; E64-L66 VanDerWaalsContact C-N 3.33Å; E64-L66 PolarHBondContact O-N 3.44Å; L66-I68 VanDerWaalsContact C-N 3.28Å; L66-I68 PolarHBondContact O-N 2.81Å; L66-S69 WeakPolarHBondContact O-CA 3.44Å; L66-S69 WeakPolarHBondContact O-CB 3.28Å; L66-S69 PolarHBondContact O-N 3.19Å; L66-T70 PolarHBondContact O-N 2.9Å; L66-T70 PolarHBondContact O-OG1 3.13Å; L66-L84 HydrophobicContact CD2-CD2 3.99Å; L66-L87 HydrophobicContact CD1-CB 4.48Å; L66-L87 HydrophobicContact CD2-CB 3.9Å; L66-L87 HydrophobicContact CD2-CD1 4.04Å; L66-L87 HydrophobicContact CG-CB 4.09Å; L66-L87 HydrophobicContact CG-CD1 4.26Å; L66-Y88 HydrophobicContact CD1-CD1 3.86Å; L66-Y88 HydrophobicContact CD1-CE1 3.69Å; L66-Y88 HydrophobicContact CD2-CD1 4.36Å; L66-Y88 HydrophobicContact CD2-CD2 4.2Å; L66-Y88 HydrophobicContact CD2-CE1 3.98Å; L66-Y88 HydrophobicContact CD2-CE2 3.79Å; L66-Y88 HydrophobicContact CD2-CG 4.45Å; L66-Y88 HydrophobicContact CG-CE1 4.48Å |
| 67 | N | 94.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.1 | -45.3 | 173.7 | -65.1 | -21.4 | 0 | 0 | 0 | 111.5 | T63 E64 S69 T70 Y71 | T63-N67 PolarHBondContact O-N 2.97Å; T63-N67 PolarHBondContact O-ND2 2.99Å; T63-N67 PolarHBondContact O-OD1 3.28Å; E64-N67 WeakPolarHBondContact O-CB 3.17Å; E64-N67 PolarHBondContact O-N 3.17Å; E64-N67 PolarHBondContact OE2-ND2 2.68Å; E64-N67 VanDerWaalsContact OE2-ND2 3.15Å; N67-S69 VanDerWaalsContact C-N 3.29Å; N67-S69 PolarHBondContact O-N 3.45Å; N67-T70 PolarHBondContact O-N 3.34Å; N67-Y71 WeakPolarHBondContact O-CB 3.47Å; N67-Y71 PolarHBondContact O-N 2.91Å |
| 68 | I | 93.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.2 | -29.2 | 177.8 | -67.9 | 158.2 | 0 | 0 | 0 | 111.8 | L16 I19 L38 V39 L42 E64 L66 A72 | L16-I68 HydrophobicContact CD2-CD1 3.58Å; I19-I68 HydrophobicContact CD1-CG2 4.28Å; L38-I68 HydrophobicContact CD2-CD1 3.87Å; L38-I68 HydrophobicContact CD2-CG2 4.37Å; L38-I68 HydrophobicContact CG-CD1 4.16Å; V39-I68 HydrophobicContact CG2-CB 4.25Å; V39-I68 HydrophobicContact CG2-CG2 3.75Å; L42-I68 HydrophobicContact CD1-CD1 3.39Å; E64-I68 HydrophobicContact CG-CD1 4.06Å; E64-I68 VanDerWaalsContact O-CD1 3.31Å; E64-I68 WeakPolarHBondContact O-CD1 3.47Å; E64-I68 VanDerWaalsContact O-CG1 3.29Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 3.34Å; L66-I68 VanDerWaalsContact C-N 3.28Å; L66-I68 PolarHBondContact O-N 2.81Å; I68-A72 WeakPolarHBondContact O-CB 3.45Å; I68-A72 PolarHBondContact O-N 2.92Å |
| 69 | S | 93.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -42.8 | 175.3 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | A65 L66 N67 Y71 A72 E73 | A65-S69 PolarHBondContact O-N 3.25Å; A65-S69 VanDerWaalsContact O-N 3.11Å; A65-S69 PolarHBondContact O-OG 3.48Å; L66-S69 WeakPolarHBondContact O-CA 3.44Å; L66-S69 WeakPolarHBondContact O-CB 3.28Å; L66-S69 PolarHBondContact O-N 3.19Å; N67-S69 VanDerWaalsContact C-N 3.29Å; N67-S69 PolarHBondContact O-N 3.45Å; S69-Y71 VanDerWaalsContact C-N 3.3Å; S69-Y71 PolarHBondContact O-N 2.92Å; S69-A72 WeakPolarHBondContact O-CB 3.43Å; S69-A72 PolarHBondContact O-N 2.85Å; S69-A72 VanDerWaalsContact O-N 3.16Å; S69-E73 WeakPolarHBondContact O-CG 3.39Å; S69-E73 PolarHBondContact O-N 3.21Å |
| 70 | T | 93.7 | Very high | 92.6 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 53% | 0.534 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 171.8 | -55 | 0 | 0 | 0 | 0 | 112.2 | L66 N67 G74 | L66-T70 PolarHBondContact O-N 2.9Å; L66-T70 PolarHBondContact O-OG1 3.13Å; N67-T70 PolarHBondContact O-N 3.34Å; T70-G74 PolarHBondContact O-N 3.48Å |
| 71 | Y | 91.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -45 | 169.4 | 171.1 | -100.7 | 0 | 0 | 0 | 111.8 | I19 Y31 N67 S69 E73 G74 E75 | I19-Y71 HydrophobicContact CG2-CD1 4.2Å; I19-Y71 HydrophobicContact CG2-CE1 3.97Å; Y31-Y71 PolarHBondContact OH-OH 3.2Å; N67-Y71 WeakPolarHBondContact O-CB 3.47Å; N67-Y71 PolarHBondContact O-N 2.91Å; S69-Y71 VanDerWaalsContact C-N 3.3Å; S69-Y71 PolarHBondContact O-N 2.92Å; Y71-E73 PolarHBondContact O-N 3.03Å; Y71-G74 PolarHBondContact O-N 2.99Å; Y71-G74 VanDerWaalsContact O-N 3.14Å; Y71-E75 HydrophobicContact CE1-CG 4.22Å; Y71-E75 HydrophobicContact CE2-CG 4.22Å; Y71-E75 PolarHBondContact O-N 2.86Å; Y71-E75 PolarHBondContact OH-OE1 2.94Å |
| 72 | A | 91.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 I68 S69 G74 E75 E76 I77 I79 | L35-A72 HydrophobicContact CD1-CB 3.84Å; I68-A72 WeakPolarHBondContact O-CB 3.45Å; I68-A72 PolarHBondContact O-N 2.92Å; S69-A72 WeakPolarHBondContact O-CB 3.43Å; S69-A72 PolarHBondContact O-N 2.85Å; S69-A72 VanDerWaalsContact O-N 3.16Å; A72-G74 VanDerWaalsContact C-N 3.26Å; A72-G74 PolarHBondContact O-N 3.36Å; A72-E75 CarbonylContact O-C 3.56Å; A72-E75 PolarHBondContact O-N 3.47Å; A72-E76 PolarHBondContact O-N 2.72Å; A72-I77 CarbonylContact C-O 3.13Å; A72-I77 VanDerWaalsContact C-O 3.28Å; A72-I77 HydrophobicContact CB-CB 4.16Å; A72-I77 HydrophobicContact CB-CG2 4.26Å; A72-I77 WeakPolarHBondContact O-CA 3.34Å; A72-I77 WeakPolarHBondContact O-CB 3.4Å; A72-I77 PolarHBondContact O-N 3.29Å; A72-I79 HydrophobicContact CB-CD1 3.94Å; A72-I79 HydrophobicContact CB-CG1 3.82Å |
| 73 | E | 89.4 | Confident | 91.7 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -36.8 | 173.9 | -72.6 | 168.6 | 179.4 | 0 | 0 | 112.4 | S69 Y71 E75 E76 | S69-E73 WeakPolarHBondContact O-CG 3.39Å; S69-E73 PolarHBondContact O-N 3.21Å; Y71-E73 PolarHBondContact O-N 3.03Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 3.45Å; E73-E76 PolarHBondContact O-N 2.85Å |
| 74 | G | 88.7 | Confident | 91.5 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.6 | -23.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T70 Y71 A72 E76 | T70-G74 PolarHBondContact O-N 3.48Å; Y71-G74 PolarHBondContact O-N 2.99Å; Y71-G74 VanDerWaalsContact O-N 3.14Å; A72-G74 VanDerWaalsContact C-N 3.26Å; A72-G74 PolarHBondContact O-N 3.36Å; G74-E76 VanDerWaalsContact C-N 3.33Å |
| 75 | E | 87 | Confident | 91.5 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 16.6 | 173 | -61.1 | -79 | 155.8 | 0 | 0 | 111.8 | Y71 A72 E73 I77 | Y71-E75 HydrophobicContact CE1-CG 4.22Å; Y71-E75 HydrophobicContact CE2-CG 4.22Å; Y71-E75 PolarHBondContact O-N 2.86Å; Y71-E75 PolarHBondContact OH-OE1 2.94Å; A72-E75 CarbonylContact O-C 3.56Å; A72-E75 PolarHBondContact O-N 3.47Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 3.45Å; E75-I77 HydrophobicContact CB-CD1 4.18Å; E75-I77 HydrophobicContact CB-CG1 4.44Å; E75-I77 PolarHBondContact O-N 2.91Å |
| 76 | E | 88 | Confident | 91.4 | Very high | 181 Ų | 181 | 56.4 Ų | 56.4 | 85% | 0.846 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 13.1 | -174.2 | -55.4 | -171.5 | 166.7 | 0 | 0 | 115.3 | A72 E73 G74 | A72-E76 PolarHBondContact O-N 2.72Å; E73-E76 PolarHBondContact O-N 2.85Å; G74-E76 VanDerWaalsContact C-N 3.33Å |
| 77 | I | 87.6 | Confident | 91.5 | Very high | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -92.5 | 112.8 | -176.8 | -65.2 | 167.8 | 0 | 0 | 0 | 111.1 | Y31 Q32 L35 A72 E75 I79 | Y31-I77 HydrophobicContact CD1-CD1 3.43Å; Y31-I77 VanDerWaalsContact CD1-CD1 3.43Å; Y31-I77 HydrophobicContact CE1-CD1 3.66Å; Y31-I77 HydrophobicContact CG-CD1 4.4Å; Q32-I77 HydrophobicContact CB-CG2 3.94Å; Q32-I77 HydrophobicContact CG-CG2 3.75Å; L35-I77 HydrophobicContact CD1-CD1 3.76Å; L35-I77 HydrophobicContact CD1-CG2 4.35Å; A72-I77 CarbonylContact C-O 3.13Å; A72-I77 VanDerWaalsContact C-O 3.28Å; A72-I77 HydrophobicContact CB-CB 4.16Å; A72-I77 HydrophobicContact CB-CG2 4.26Å; A72-I77 WeakPolarHBondContact O-CA 3.34Å; A72-I77 WeakPolarHBondContact O-CB 3.4Å; A72-I77 PolarHBondContact O-N 3.29Å; E75-I77 HydrophobicContact CB-CD1 4.18Å; E75-I77 HydrophobicContact CB-CG1 4.44Å; E75-I77 PolarHBondContact O-N 2.91Å; I77-I79 PolarHBondContact O-N 3.1Å | ||
| 78 | Q | 87.1 | Confident | 91.6 | Very high | 160 Ų | 160 | 54 Ų | 54 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 116.6 | 177.7 | -63.9 | -176.5 | 0.6 | 0 | 0 | 111.9 | Q32 | Q32-Q78 PolarHBondContact NE2-O 2.77Š|
| 79 | I | 91.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -80 | 139.8 | 166.8 | -58.8 | -57.9 | 0 | 0 | 0 | 109.1 | L35 V39 A72 I77 Q81 L83 L84 | L35-I79 HydrophobicContact CB-CD1 4.33Å; V39-I79 HydrophobicContact CG1-CG2 4.35Å; V39-I79 HydrophobicContact CG2-CD1 4.49Å; A72-I79 HydrophobicContact CB-CD1 3.94Å; A72-I79 HydrophobicContact CB-CG1 3.82Å; I77-I79 PolarHBondContact O-N 3.1Å; I79-Q81 PolarHBondContact O-N 3.27Å; I79-L83 HydrophobicContact CG2-CD2 4.04Å; I79-L83 HydrophobicContact CG2-CG 4.3Å; I79-L84 HydrophobicContact CG2-CG 4.44Å |
| 80 | P | 91.6 | Very high | 91.8 | Very high | 37 Ų | 37 | 54 Ų | 54 | 24% | 0.24 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -58 | 129.5 | -177.5 | -27.8 | 36 | 0 | 0 | 0 | 114 | T36 A82 L83 L84 L236 | T36-P80 HydrophobicContact CG2-CG 4.27Å; P80-A82 PolarHBondContact O-N 2.88Å; P80-A82 VanDerWaalsContact O-N 3.12Å; P80-L83 HydrophobicContact CB-CB 4.41Å; P80-L83 WeakPolarHBondContact O-CA 3.39Å; P80-L83 WeakPolarHBondContact O-CB 3.49Å; P80-L83 PolarHBondContact O-N 3.47Å; P80-L84 PolarHBondContact O-N 2.79Å; P80-L236 HydrophobicContact CB-CD1 4.17Å |
| 81 | Q | 89.6 | Confident | 92 | Very high | 127 Ų | 127 | 51.5 Ų | 51.5 | 59% | 0.593 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -55.6 | -33 | -178.8 | -71.3 | 179.3 | -32.6 | 0 | 0 | 114 | I79 L83 L84 E85 V114 | I79-Q81 PolarHBondContact O-N 3.27Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-L83 PolarHBondContact O-N 3.13Å; Q81-L84 PolarHBondContact O-N 3.06Å; Q81-E85 WeakPolarHBondContact O-CB 3.42Å; Q81-E85 PolarHBondContact O-N 3.45Å; Q81-V114 HydrophobicContact CB-CG1 3.74Å; Q81-V114 HydrophobicContact CG-CG1 4.07Å; Q81-V114 WeakPolarHBondContact O-CG1 3.49Å |
| 82 | A | 89.5 | Confident | 92.3 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.2 | -24.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | P80 S86 L236 | P80-A82 PolarHBondContact O-N 2.88Å; P80-A82 VanDerWaalsContact O-N 3.12Å; A82-S86 WeakPolarHBondContact O-CB 3.48Å; A82-S86 PolarHBondContact O-N 3.47Å; A82-S86 VanDerWaalsContact O-N 3.11Å; A82-S86 PolarHBondContact O-OG 3.31Å; A82-L236 HydrophobicContact CB-CD1 3.99Å; A82-L236 HydrophobicContact CB-CD2 4.31Å |
| 83 | L | 92 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.3 | -42.3 | 172.7 | 175.3 | 48.1 | 0 | 0 | 0 | 110.2 | T36 V39 L43 I79 P80 Q81 S86 L87 L233 | T36-L83 HydrophobicContact CG2-CD2 4.33Å; V39-L83 HydrophobicContact CB-CD2 4.06Å; V39-L83 HydrophobicContact CG1-CD1 4.07Å; V39-L83 HydrophobicContact CG1-CD2 3.65Å; V39-L83 HydrophobicContact CG1-CG 3.73Å; L43-L83 HydrophobicContact CB-CD1 4.25Å; L43-L83 HydrophobicContact CD2-CD1 3.5Å; L43-L83 VanDerWaalsContact CD2-CD1 3.5Å; L43-L83 HydrophobicContact CG-CD1 4.48Å; I79-L83 HydrophobicContact CG2-CD2 4.04Å; I79-L83 HydrophobicContact CG2-CG 4.3Å; P80-L83 HydrophobicContact CB-CB 4.41Å; P80-L83 WeakPolarHBondContact O-CA 3.39Å; P80-L83 WeakPolarHBondContact O-CB 3.49Å; P80-L83 PolarHBondContact O-N 3.47Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-L83 PolarHBondContact O-N 3.13Å; L83-S86 PolarHBondContact O-N 3.16Å; L83-L87 HydrophobicContact CD1-CD1 4.38Å; L83-L87 HydrophobicContact CD1-CG 4.45Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 2.98Å; L83-L233 HydrophobicContact CD1-CD1 3.8Å; L83-L233 HydrophobicContact CD2-CD1 4.46Å |
| 84 | L | 93.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -48.2 | 170.8 | -67.5 | 174.1 | 0 | 0 | 0 | 112 | L66 I79 P80 Q81 S86 L87 Y88 V114 | L66-L84 HydrophobicContact CD2-CD2 3.99Å; I79-L84 HydrophobicContact CG2-CG 4.44Å; P80-L84 PolarHBondContact O-N 2.79Å; Q81-L84 PolarHBondContact O-N 3.06Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 2.92Å; L84-L87 PolarHBondContact O-N 2.91Å; L84-Y88 WeakPolarHBondContact O-CD2 3.45Å; L84-Y88 PolarHBondContact O-N 3.42Å; L84-V114 HydrophobicContact CB-CG1 4.03Å; L84-V114 HydrophobicContact CB-CG2 4.47Å |
| 85 | E | 94.9 | Very high | 93.3 | Very high | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.7 | -44.9 | 174.9 | -173.9 | -88.9 | 173 | 0 | 0 | 111.5 | Q81 L87 V89 C115 S118 R120 | Q81-E85 WeakPolarHBondContact O-CB 3.42Å; Q81-E85 PolarHBondContact O-N 3.45Å; E85-L87 PolarHBondContact O-N 3.47Å; E85-V89 HydrophobicContact CG-CG2 4.48Å; E85-V89 VanDerWaalsContact O-CB 3.26Å; E85-V89 WeakPolarHBondContact O-CB 3.42Å; E85-V89 VanDerWaalsContact O-CG2 3.23Å; E85-V89 WeakPolarHBondContact O-CG2 3.5Å; E85-V89 PolarHBondContact O-N 2.76Å; E85-C115 HydrophobicContact CB-CB 4.44Å; E85-C115 HydrophobicContact CG-CB 4.05Å; E85-S118 WeakPolarHBondContact OE1-CB 3.21Å; E85-S118 PolarHBondContact OE1-OG 2.91Å; E85-R120 IonicContact OE1-NH1 3.33Å; E85-R120 IonicContact OE2-CZ 3.16Å; E85-R120 IonicContact OE2-NH1 2.94Å; E85-R120 PolarHBondContact OE2-NH1 2.98Å |
| 86 | S | 95.3 | Very high | 93.7 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 178.2 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | A82 L83 L84 N90 R120 | A82-S86 WeakPolarHBondContact O-CB 3.48Å; A82-S86 PolarHBondContact O-N 3.47Å; A82-S86 VanDerWaalsContact O-N 3.11Å; A82-S86 PolarHBondContact O-OG 3.31Å; L83-S86 PolarHBondContact O-N 3.16Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 2.92Å; S86-N90 WeakPolarHBondContact O-CB 3.45Å; S86-N90 PolarHBondContact O-N 3.1Å; S86-N90 PolarHBondContact O-OD1 3.41Å; S86-R120 PolarHBondContact OG-NH1 3.32Å |
| 87 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -51.9 | 175.4 | -78.6 | 166.4 | 0 | 0 | 0 | 111.6 | V39 L43 F62 A65 L66 L83 L84 E85 N90 R91 | V39-L87 HydrophobicContact CG1-CD1 3.66Å; L43-L87 HydrophobicContact CB-CD2 4.02Å; L43-L87 HydrophobicContact CD1-CD2 3.91Å; L43-L87 HydrophobicContact CD1-CG 4.35Å; F62-L87 HydrophobicContact CB-CD2 4.22Å; F62-L87 HydrophobicContact CD1-CD2 3.95Å; F62-L87 HydrophobicContact CG-CD2 4.49Å; A65-L87 HydrophobicContact CB-CD1 3.77Å; A65-L87 HydrophobicContact CB-CD2 3.49Å; A65-L87 VanDerWaalsContact CB-CD2 3.49Å; A65-L87 HydrophobicContact CB-CG 4.31Å; L66-L87 HydrophobicContact CD1-CB 4.48Å; L66-L87 HydrophobicContact CD2-CB 3.9Å; L66-L87 HydrophobicContact CD2-CD1 4.04Å; L66-L87 HydrophobicContact CG-CB 4.09Å; L66-L87 HydrophobicContact CG-CD1 4.26Å; L83-L87 HydrophobicContact CD1-CD1 4.38Å; L83-L87 HydrophobicContact CD1-CG 4.45Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 2.98Å; L84-L87 PolarHBondContact O-N 2.91Å; E85-L87 PolarHBondContact O-N 3.47Å; L87-N90 PolarHBondContact O-N 2.84Å; L87-R91 WeakPolarHBondContact O-CB 3.47Å; L87-R91 PolarHBondContact O-N 3.46Å |
| 88 | Y | 97.5 | Very high | 94.3 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 18% | 0.18 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 177.7 | -74.4 | -61.7 | 0 | 0 | 0 | 111.9 | L66 L84 N90 R91 A92 D107 S110 V114 | L66-Y88 HydrophobicContact CD1-CD1 3.86Å; L66-Y88 HydrophobicContact CD1-CE1 3.69Å; L66-Y88 HydrophobicContact CD2-CD1 4.36Å; L66-Y88 HydrophobicContact CD2-CD2 4.2Å; L66-Y88 HydrophobicContact CD2-CE1 3.98Å; L66-Y88 HydrophobicContact CD2-CE2 3.79Å; L66-Y88 HydrophobicContact CD2-CG 4.45Å; L66-Y88 HydrophobicContact CG-CE1 4.48Å; L84-Y88 WeakPolarHBondContact O-CD2 3.45Å; L84-Y88 PolarHBondContact O-N 3.42Å; Y88-N90 PolarHBondContact O-N 2.93Å; Y88-R91 PolarHBondContact O-N 3.19Å; Y88-A92 VanDerWaalsContact O-CB 3.3Å; Y88-A92 WeakPolarHBondContact O-CB 3.39Å; Y88-A92 PolarHBondContact O-N 3.27Å; Y88-D107 WeakPolarHBondContact CB-O 3.46Å; Y88-S110 VanDerWaalsContact CE1-CB 3.49Å; Y88-V114 HydrophobicContact CE2-CG2 4.21Å |
| 89 | V | 97 | Very high | 94.6 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.8 | 164.8 | 0 | 0 | 0 | 0 | 112.6 | E85 A93 A111 R120 A121 R124 | E85-V89 HydrophobicContact CG-CG2 4.48Å; E85-V89 VanDerWaalsContact O-CB 3.26Å; E85-V89 WeakPolarHBondContact O-CB 3.42Å; E85-V89 VanDerWaalsContact O-CG2 3.23Å; E85-V89 WeakPolarHBondContact O-CG2 3.5Å; E85-V89 PolarHBondContact O-N 2.76Å; V89-A93 WeakPolarHBondContact O-CB 3.44Å; V89-A93 PolarHBondContact O-N 3.12Å; V89-A93 VanDerWaalsContact O-N 3.09Å; V89-A111 HydrophobicContact CG2-CB 4.02Å; V89-R120 HydrophobicContact CG1-CB 3.88Å; V89-R120 HydrophobicContact CG2-CB 4.01Å; V89-A121 HydrophobicContact CG2-CB 3.92Å; V89-R124 HydrophobicContact CG1-CG 4.28Å |
| 90 | N | 96.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79.5 | -30.7 | -179.5 | -70.1 | 6.7 | 0 | 0 | 0 | 111.7 | N47 F62 S86 L87 Y88 A93 A94 R120 | N47-N90 PolarHBondContact ND2-ND2 2.73Å; N47-N90 PolarHBondContact OD1-ND2 3.24Å; F62-N90 HydrophobicContact CE1-CB 4.22Å; F62-N90 HydrophobicContact CE2-CB 3.94Å; F62-N90 WeakPolarHBondContact CE2-O 3.21Å; F62-N90 HydrophobicContact CZ-CB 3.77Å; S86-N90 WeakPolarHBondContact O-CB 3.45Å; S86-N90 PolarHBondContact O-N 3.1Å; S86-N90 PolarHBondContact O-OD1 3.41Å; L87-N90 PolarHBondContact O-N 2.84Å; Y88-N90 PolarHBondContact O-N 2.93Å; N90-A93 PolarHBondContact O-N 3.46Å; N90-A94 PolarHBondContact O-N 2.99Å; N90-R120 PolarHBondContact OD1-NH2 3.07Å |
| 91 | R | 97.6 | Very high | 95 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 170.6 | -165.8 | 174.8 | 70.4 | 176.4 | -2.7 | 112.1 | V59 F62 T63 L87 Y88 A93 A94 Y95 D107 | V59-R91 HydrophobicContact CG1-CG 4.35Å; V59-R91 HydrophobicContact CG2-CG 4.33Å; F62-R91 HydrophobicContact CB-CB 3.89Å; F62-R91 HydrophobicContact CB-CG 4.17Å; F62-R91 HydrophobicContact CD2-CB 3.86Å; F62-R91 HydrophobicContact CD2-CG 4.32Å; F62-R91 HydrophobicContact CG-CB 4.26Å; T63-R91 WeakPolarHBondContact OG1-CD 3.49Å; T63-R91 PolarHBondContact OG1-NH1 3.43Å; L87-R91 WeakPolarHBondContact O-CB 3.47Å; L87-R91 PolarHBondContact O-N 3.46Å; Y88-R91 PolarHBondContact O-N 3.19Å; R91-A93 VanDerWaalsContact C-N 3.28Å; R91-A93 PolarHBondContact O-N 2.9Å; R91-A94 WeakPolarHBondContact O-CB 3.43Å; R91-A94 PolarHBondContact O-N 3.21Å; R91-A94 VanDerWaalsContact O-N 3.08Å; R91-Y95 HydrophobicContact CG-CD2 4.09Å; R91-Y95 HydrophobicContact CG-CE2 3.69Å; R91-Y95 WeakPolarHBondContact O-CD2 3.46Å; R91-Y95 PolarHBondContact O-N 3.1Å; R91-D107 WeakPolarHBondContact CB-OD2 3.32Å; R91-D107 WeakPolarHBondContact CG-OD2 3.43Å; R91-D107 IonicContact CZ-OD1 2.7Å; R91-D107 VanDerWaalsContact CZ-OD1 3.3Å; R91-D107 IonicContact CZ-OD2 2.77Å; R91-D107 IonicContact NE-OD1 2.7Å; R91-D107 PolarHBondContact NE-OD1 2.89Å; R91-D107 VanDerWaalsContact NE-OD1 3.13Å; R91-D107 IonicContact NE-OD2 2.75Å; R91-D107 PolarHBondContact NE-OD2 3.4Å; R91-D107 IonicContact NH2-OD1 2.88Å; R91-D107 PolarHBondContact NH2-OD1 2.99Å; R91-D107 IonicContact NH2-OD2 2.73Å |
| 92 | A | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.7 | -39.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y88 Y95 H96 G104 D107 R124 | Y88-A92 VanDerWaalsContact O-CB 3.3Å; Y88-A92 WeakPolarHBondContact O-CB 3.39Å; Y88-A92 PolarHBondContact O-N 3.27Å; A92-Y95 PolarHBondContact O-N 3.4Å; A92-H96 WeakPolarHBondContact O-CB 3.43Å; A92-H96 PolarHBondContact O-N 3.5Å; A92-G104 WeakPolarHBondContact CB-O 3.41Å; A92-D107 HydrophobicContact CB-CB 3.77Å; A92-D107 PolarHBondContact N-OD2 2.84Å; A92-R124 HydrophobicContact CB-CB 4.38Å |
| 93 | A | 96.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F50 V89 N90 R91 H96 S97 | F50-A93 HydrophobicContact CE1-CB 4.31Å; F50-A93 HydrophobicContact CE2-CB 4.3Å; F50-A93 HydrophobicContact CZ-CB 3.77Å; V89-A93 WeakPolarHBondContact O-CB 3.44Å; V89-A93 PolarHBondContact O-N 3.12Å; V89-A93 VanDerWaalsContact O-N 3.09Å; N90-A93 PolarHBondContact O-N 3.46Å; R91-A93 VanDerWaalsContact C-N 3.28Å; R91-A93 PolarHBondContact O-N 2.9Å; A93-H96 PolarHBondContact O-N 3.22Å; A93-S97 PolarHBondContact O-N 2.87Å; A93-S97 VanDerWaalsContact O-N 3.08Å; A93-S97 PolarHBondContact O-OG 3.02Å |
| 94 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F50 V59 F62 N90 R91 H96 S97 M98 | F50-A94 HydrophobicContact CD2-CB 3.84Å; F50-A94 HydrophobicContact CE2-CB 4Å; V59-A94 HydrophobicContact CG2-CB 3.53Å; F62-A94 HydrophobicContact CE2-CB 4.48Å; N90-A94 PolarHBondContact O-N 2.99Å; R91-A94 WeakPolarHBondContact O-CB 3.43Å; R91-A94 PolarHBondContact O-N 3.21Å; R91-A94 VanDerWaalsContact O-N 3.08Å; A94-H96 VanDerWaalsContact C-N 3.35Å; A94-H96 PolarHBondContact O-N 3.47Å; A94-S97 PolarHBondContact O-N 2.86Å; A94-M98 VanDerWaalsContact O-CG 3.31Å; A94-M98 WeakPolarHBondContact O-CG 3.19Å; A94-M98 PolarHBondContact O-N 2.73Å |
| 95 | Y | 97.3 | Very high | 96 | Very high | 35 Ų | 35 | 30 Ų | 30 | 14% | 0.137 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 173.4 | -73.3 | -42.3 | 0 | 0 | 0 | 112.6 | V59 R91 A92 S97 M98 G99 K100 E103 D107 | V59-Y95 HydrophobicContact CB-CE1 4.43Å; V59-Y95 HydrophobicContact CG1-CD1 4.47Å; V59-Y95 HydrophobicContact CG1-CE1 3.58Å; V59-Y95 HydrophobicContact CG2-CD1 3.96Å; V59-Y95 HydrophobicContact CG2-CE1 3.89Å; R91-Y95 HydrophobicContact CG-CD2 4.09Å; R91-Y95 HydrophobicContact CG-CE2 3.69Å; R91-Y95 WeakPolarHBondContact O-CD2 3.46Å; R91-Y95 PolarHBondContact O-N 3.1Å; A92-Y95 PolarHBondContact O-N 3.4Å; Y95-S97 PolarHBondContact O-N 2.77Å; Y95-M98 CarbonylContact O-C 3.18Å; Y95-M98 PolarHBondContact O-N 3Å; Y95-M98 VanDerWaalsContact O-N 3.11Å; Y95-G99 PolarHBondContact O-N 3.41Å; Y95-K100 WeakPolarHBondContact CB-O 3.31Å; Y95-K100 HydrophobicContact CD1-CB 3.86Å; Y95-K100 HydrophobicContact CD1-CD 3.76Å; Y95-K100 HydrophobicContact CD1-CG 4.48Å; Y95-K100 HydrophobicContact CE1-CD 4.11Å; Y95-K100 HydrophobicContact CG-CB 4.22Å; Y95-K100 WeakPolarHBondContact O-CA 3.5Å; Y95-K100 WeakPolarHBondContact O-CB 3.36Å; Y95-K100 PolarHBondContact O-N 3.19Å; Y95-E103 HydrophobicContact CD1-CB 4.19Å; Y95-E103 HydrophobicContact CD2-CB 3.7Å; Y95-E103 HydrophobicContact CE1-CB 4.29Å; Y95-E103 HydrophobicContact CE2-CB 3.8Å; Y95-E103 HydrophobicContact CG-CB 3.92Å; Y95-D107 WeakPolarHBondContact CD2-OD2 3.38Å; Y95-D107 WeakPolarHBondContact CE2-OD2 3.48Å |
| 96 | H | 95.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 22% | 0.222 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 172.4 | -178.2 | -72.1 | 0 | 0 | 0 | 112.3 | A92 A93 A94 M98 G99 | A92-H96 WeakPolarHBondContact O-CB 3.43Å; A92-H96 PolarHBondContact O-N 3.5Å; A93-H96 PolarHBondContact O-N 3.22Å; A94-H96 VanDerWaalsContact C-N 3.35Å; A94-H96 PolarHBondContact O-N 3.47Å; H96-M98 PolarHBondContact O-N 3.02Å; H96-G99 PolarHBondContact O-N 2.89Å; H96-G99 VanDerWaalsContact O-N 3.16Å |
| 97 | S | 94.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 35 Ų | 35 | 36% | 0.357 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.2 | -25.9 | 175.4 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | A93 A94 Y95 | A93-S97 PolarHBondContact O-N 2.87Å; A93-S97 VanDerWaalsContact O-N 3.08Å; A93-S97 PolarHBondContact O-OG 3.02Å; A94-S97 PolarHBondContact O-N 2.86Å; Y95-S97 PolarHBondContact O-N 2.77Å |
| 98 | M | 93.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 35 Ų | 35 | 28% | 0.281 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.5 | 176.4 | -65.7 | 174 | 72.2 | 0 | 0 | 114.1 | W55 E56 V59 A94 Y95 H96 K100 | W55-M98 HydrophobicContact CB-CG 3.54Å; W55-M98 HydrophobicContact CB-SD 3.99Å; W55-M98 HydrophobicContact CG-CG 4.21Å; E56-M98 HydrophobicContact CG-CE 3.73Å; E56-M98 WeakPolarHBondContact OE1-CE 3.4Å; V59-M98 HydrophobicContact CG2-SD 3.9Å; A94-M98 VanDerWaalsContact O-CG 3.31Å; A94-M98 WeakPolarHBondContact O-CG 3.19Å; A94-M98 PolarHBondContact O-N 2.73Å; Y95-M98 CarbonylContact O-C 3.18Å; Y95-M98 PolarHBondContact O-N 3Å; Y95-M98 VanDerWaalsContact O-N 3.11Å; H96-M98 PolarHBondContact O-N 3.02Å; M98-K100 HydrophobicContact CB-CB 4.41Å; M98-K100 HydrophobicContact CB-CD 4.26Å; M98-K100 HydrophobicContact CB-CG 4.29Å; M98-K100 HydrophobicContact CE-CD 3.94Å; M98-K100 PolarHBondContact O-N 2.89Å; M98-K100 HydrophobicContact SD-CD 4.36Å |
| 99 | G | 93.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 10.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y95 H96 Y101 | Y95-G99 PolarHBondContact O-N 3.41Å; H96-G99 PolarHBondContact O-N 2.89Å; H96-G99 VanDerWaalsContact O-N 3.16Å; G99-Y101 WeakPolarHBondContact O-CD2 3.49Å; G99-Y101 PolarHBondContact O-N 2.6Å |
| 100 | K | 95.6 | Very high | 96 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | trans | -84.5 | 57.8 | 178.5 | -80.3 | 177.1 | 159.5 | -82.7 | 0 | 111.3 | Y95 M98 P102 E103 G104 | Y95-K100 WeakPolarHBondContact CB-O 3.31Å; Y95-K100 HydrophobicContact CD1-CB 3.86Å; Y95-K100 HydrophobicContact CD1-CD 3.76Å; Y95-K100 HydrophobicContact CD1-CG 4.48Å; Y95-K100 HydrophobicContact CE1-CD 4.11Å; Y95-K100 HydrophobicContact CG-CB 4.22Å; Y95-K100 WeakPolarHBondContact O-CA 3.5Å; Y95-K100 WeakPolarHBondContact O-CB 3.36Å; Y95-K100 PolarHBondContact O-N 3.19Å; M98-K100 HydrophobicContact CB-CB 4.41Å; M98-K100 HydrophobicContact CB-CD 4.26Å; M98-K100 HydrophobicContact CB-CG 4.29Å; M98-K100 HydrophobicContact CE-CD 3.94Å; M98-K100 PolarHBondContact O-N 2.89Å; M98-K100 HydrophobicContact SD-CD 4.36Å; K100-P102 VanDerWaalsContact C-CD 3.46Å; K100-E103 WeakPolarHBondContact CB-OE2 3.28Å; K100-E103 WeakPolarHBondContact CD-OE1 3.27Å; K100-E103 WeakPolarHBondContact CG-OE1 3.5Å; K100-E103 IonicContact NZ-OE1 3.68Å; K100-E103 PolarHBondContact NZ-OE1 2.86Å; K100-E103 PolarHBondContact O-N 3.4Å; K100-G104 PolarHBondContact O-N 3.37Å; K100-G104 VanDerWaalsContact O-N 3.07Å | ||
| 101 | Y | 95.9 | Very high | 96 | Very high | 63 Ų | 63 | 37 Ų | 37 | 25% | 0.247 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.5 | -37 | -172.7 | -51 | -60.2 | 0 | 0 | 0 | 115.7 | G99 G104 V105 C128 E131 | G99-Y101 WeakPolarHBondContact O-CD2 3.49Å; G99-Y101 PolarHBondContact O-N 2.6Å; Y101-G104 PolarHBondContact O-N 2.95Å; Y101-V105 WeakPolarHBondContact O-CG2 3.39Å; Y101-V105 PolarHBondContact O-N 3.46Å; Y101-V105 VanDerWaalsContact O-N 3.09Å; Y101-C128 WeakPolarHBondContact O-CB 3.46Å; Y101-E131 HydrophobicContact CD1-CB 3.85Å; Y101-E131 HydrophobicContact CD1-CG 4.3Å; Y101-E131 HydrophobicContact CD2-CB 3.89Å; Y101-E131 HydrophobicContact CE1-CB 3.66Å; Y101-E131 HydrophobicContact CE1-CG 3.81Å; Y101-E131 HydrophobicContact CE2-CB 3.7Å; Y101-E131 HydrophobicContact CG-CB 3.96Å |
| 102 | P | 96.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 42% | 0.416 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.2 | -42.4 | 179.2 | 25 | -27.7 | 0 | 0 | 0 | 111.8 | K100 G104 V105 E106 | K100-P102 VanDerWaalsContact C-CD 3.46Å; P102-G104 PolarHBondContact O-N 3.06Å; P102-V105 WeakPolarHBondContact O-CB 3.43Å; P102-V105 PolarHBondContact O-N 3.35Å; P102-E106 PolarHBondContact O-N 3.09Å |
| 103 | E | 96.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -35.1 | 173.5 | -55.6 | 101.7 | 124.2 | 0 | 0 | 111.6 | Y95 K100 V105 E106 D107 | Y95-E103 HydrophobicContact CD1-CB 4.19Å; Y95-E103 HydrophobicContact CD2-CB 3.7Å; Y95-E103 HydrophobicContact CE1-CB 4.29Å; Y95-E103 HydrophobicContact CE2-CB 3.8Å; Y95-E103 HydrophobicContact CG-CB 3.92Å; K100-E103 WeakPolarHBondContact CB-OE2 3.28Å; K100-E103 WeakPolarHBondContact CD-OE1 3.27Å; K100-E103 WeakPolarHBondContact CG-OE1 3.5Å; K100-E103 IonicContact NZ-OE1 3.68Å; K100-E103 PolarHBondContact NZ-OE1 2.86Å; K100-E103 PolarHBondContact O-N 3.4Å; E103-V105 VanDerWaalsContact C-N 3.32Å; E103-V105 PolarHBondContact O-N 2.99Å; E103-E106 PolarHBondContact O-N 2.91Å; E103-D107 PolarHBondContact O-N 3.11Å |
| 104 | G | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -27 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A92 K100 Y101 P102 S108 | A92-G104 WeakPolarHBondContact CB-O 3.41Å; K100-G104 PolarHBondContact O-N 3.37Å; K100-G104 VanDerWaalsContact O-N 3.07Å; Y101-G104 PolarHBondContact O-N 2.95Å; P102-G104 PolarHBondContact O-N 3.06Å; G104-S108 WeakPolarHBondContact O-CB 3.47Å; G104-S108 PolarHBondContact O-N 3.16Å; G104-S108 PolarHBondContact O-OG 3.23Å |
| 105 | V | 96.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.3 | -44.9 | 171.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | Y101 P102 E103 D107 S108 D109 K125 C128 L129 L132 | Y101-V105 WeakPolarHBondContact O-CG2 3.39Å; Y101-V105 PolarHBondContact O-N 3.46Å; Y101-V105 VanDerWaalsContact O-N 3.09Å; P102-V105 WeakPolarHBondContact O-CB 3.43Å; P102-V105 PolarHBondContact O-N 3.35Å; E103-V105 VanDerWaalsContact C-N 3.32Å; E103-V105 PolarHBondContact O-N 2.99Å; V105-D107 PolarHBondContact O-N 3.02Å; V105-S108 PolarHBondContact O-N 3.19Å; V105-S108 VanDerWaalsContact O-N 3.09Å; V105-D109 PolarHBondContact O-N 3.44Å; V105-K125 HydrophobicContact CG1-CD 4.25Å; V105-K125 HydrophobicContact CG1-CG 4.37Å; V105-C128 HydrophobicContact CG2-CB 3.62Å; V105-L129 HydrophobicContact CG1-CD2 4.34Å; V105-L129 HydrophobicContact CG2-CD2 3.91Å; V105-L129 HydrophobicContact CG2-CG 3.97Å; V105-L132 HydrophobicContact CG2-CD1 4.03Å |
| 106 | E | 96.8 | Very high | 94.3 | Very high | 130 Ų | 130 | 51 Ų | 51 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 178.1 | -68.4 | 175 | 178.4 | 0 | 0 | 111.7 | P102 E103 S108 D109 S110 | P102-E106 PolarHBondContact O-N 3.09Å; E103-E106 PolarHBondContact O-N 2.91Å; E106-S108 PolarHBondContact O-N 3.26Å; E106-D109 PolarHBondContact O-N 2.92Å; E106-S110 WeakPolarHBondContact O-CB 3.42Å; E106-S110 PolarHBondContact O-N 3.34Å; E106-S110 PolarHBondContact O-OG 3Å |
| 107 | D | 96.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 172.6 | -90.4 | -10.4 | 0 | 0 | 0 | 112.3 | Y88 R91 A92 Y95 E103 V105 D109 S110 A111 | Y88-D107 WeakPolarHBondContact CB-O 3.46Å; R91-D107 WeakPolarHBondContact CB-OD2 3.32Å; R91-D107 WeakPolarHBondContact CG-OD2 3.43Å; R91-D107 IonicContact CZ-OD1 2.7Å; R91-D107 VanDerWaalsContact CZ-OD1 3.3Å; R91-D107 IonicContact CZ-OD2 2.77Å; R91-D107 IonicContact NE-OD1 2.7Å; R91-D107 PolarHBondContact NE-OD1 2.89Å; R91-D107 VanDerWaalsContact NE-OD1 3.13Å; R91-D107 IonicContact NE-OD2 2.75Å; R91-D107 PolarHBondContact NE-OD2 3.4Å; R91-D107 IonicContact NH2-OD1 2.88Å; R91-D107 PolarHBondContact NH2-OD1 2.99Å; R91-D107 IonicContact NH2-OD2 2.73Å; A92-D107 HydrophobicContact CB-CB 3.77Å; A92-D107 PolarHBondContact N-OD2 2.84Å; Y95-D107 WeakPolarHBondContact CD2-OD2 3.38Å; Y95-D107 WeakPolarHBondContact CE2-OD2 3.48Å; E103-D107 PolarHBondContact O-N 3.11Å; V105-D107 PolarHBondContact O-N 3.02Å; D107-D109 VanDerWaalsContact C-N 3.35Å; D107-D109 PolarHBondContact O-N 2.95Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 2.86Å; D107-A111 PolarHBondContact O-N 3.45Å |
| 108 | S | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -33.4 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | G104 V105 E106 L112 K125 | G104-S108 WeakPolarHBondContact O-CB 3.47Å; G104-S108 PolarHBondContact O-N 3.16Å; G104-S108 PolarHBondContact O-OG 3.23Å; V105-S108 PolarHBondContact O-N 3.19Å; V105-S108 VanDerWaalsContact O-N 3.09Å; E106-S108 PolarHBondContact O-N 3.26Å; S108-L112 VanDerWaalsContact O-CG 3.31Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 3.09Å; S108-K125 PolarHBondContact OG-N 2.8Å |
| 109 | D | 96 | Very high | 93.1 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.7 | -35.6 | 170.8 | -79 | -39.7 | 0 | 0 | 0 | 112.4 | V105 E106 D107 A111 L112 A113 K125 | V105-D109 PolarHBondContact O-N 3.44Å; E106-D109 PolarHBondContact O-N 2.92Å; D107-D109 VanDerWaalsContact C-N 3.35Å; D107-D109 PolarHBondContact O-N 2.95Å; D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 2.93Å; D109-L112 CarbonylContact O-C 3.22Å; D109-L112 PolarHBondContact O-N 3.38Å; D109-L112 VanDerWaalsContact O-N 3.08Å; D109-A113 PolarHBondContact O-N 3.38Å; D109-K125 WeakPolarHBondContact OD1-CD 3.36Å; D109-K125 IonicContact OD1-NZ 2.99Å; D109-K125 PolarHBondContact OD1-NZ 2.92Å; D109-K125 IonicContact OD2-NZ 2.91Å; D109-K125 PolarHBondContact OD2-NZ 2.68Å |
| 110 | S | 95.7 | Very high | 93 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | Y88 E106 D107 L112 A113 V114 | Y88-S110 VanDerWaalsContact CE1-CB 3.49Å; E106-S110 WeakPolarHBondContact O-CB 3.42Å; E106-S110 PolarHBondContact O-N 3.34Å; E106-S110 PolarHBondContact O-OG 3Å; D107-S110 WeakPolarHBondContact O-CB 3.47Å; D107-S110 PolarHBondContact O-N 2.86Å; S110-L112 VanDerWaalsContact C-N 3.28Å; S110-L112 PolarHBondContact O-N 3.07Å; S110-A113 PolarHBondContact O-N 3.08Å; S110-V114 WeakPolarHBondContact O-CG2 3.37Å; S110-V114 PolarHBondContact O-N 3.08Å; S110-V114 VanDerWaalsContact O-N 3.16Å |
| 111 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -33.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | V89 D107 D109 C115 A121 | V89-A111 HydrophobicContact CG2-CB 4.02Å; D107-A111 PolarHBondContact O-N 3.45Å; D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 2.93Å; A111-C115 PolarHBondContact O-N 3.04Å; A111-A121 HydrophobicContact CB-CB 3.59Å |
| 112 | L | 93.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.12 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -78.7 | -30.8 | 177.8 | -69.9 | 167.5 | 0 | 0 | 0 | 112.9 | S108 D109 S110 V114 C115 E116 A121 L122 | S108-L112 VanDerWaalsContact O-CG 3.31Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 3.09Å; D109-L112 CarbonylContact O-C 3.22Å; D109-L112 PolarHBondContact O-N 3.38Å; D109-L112 VanDerWaalsContact O-N 3.08Å; S110-L112 VanDerWaalsContact C-N 3.28Å; S110-L112 PolarHBondContact O-N 3.07Å; L112-V114 VanDerWaalsContact C-N 3.28Å; L112-V114 PolarHBondContact O-N 3.48Å; L112-C115 CarbonylContact O-C 3.57Å; L112-C115 PolarHBondContact O-N 3.31Å; L112-E116 WeakPolarHBondContact O-CA 3.44Å; L112-E116 PolarHBondContact O-N 2.87Å; L112-A121 HydrophobicContact CD1-CB 4.44Å; L112-A121 HydrophobicContact CD2-CB 3.92Å; L112-A121 HydrophobicContact CG-CB 3.78Å; L112-L122 HydrophobicContact CD1-CD2 3.9Å; L112-L122 HydrophobicContact CD1-CG 4.13Å; L112-L122 HydrophobicContact CD2-CD2 4.42Å; L112-L122 HydrophobicContact CD2-CG 3.9Å |
| 113 | A | 93.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 47 Ų | 47 | 74% | 0.736 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.7 | -33.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | D109 S110 | D109-A113 PolarHBondContact O-N 3.38Å; S110-A113 PolarHBondContact O-N 3.08Å |
| 114 | V | 89.8 | Confident | 92.7 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -78.2 | -33.2 | 173.1 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | Q81 L84 Y88 S110 L112 | Q81-V114 HydrophobicContact CB-CG1 3.74Å; Q81-V114 HydrophobicContact CG-CG1 4.07Å; Q81-V114 WeakPolarHBondContact O-CG1 3.49Å; L84-V114 HydrophobicContact CB-CG1 4.03Å; L84-V114 HydrophobicContact CB-CG2 4.47Å; Y88-V114 HydrophobicContact CE2-CG2 4.21Å; S110-V114 WeakPolarHBondContact O-CG2 3.37Å; S110-V114 PolarHBondContact O-N 3.08Å; S110-V114 VanDerWaalsContact O-N 3.16Å; L112-V114 VanDerWaalsContact C-N 3.28Å; L112-V114 PolarHBondContact O-N 3.48Å |
| 115 | C | 88.9 | Confident | 92.7 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | trans | -148.2 | 84.9 | -175.2 | -82.3 | 0 | 0 | 0 | 0 | 111.7 | E85 A111 L112 G117 S118 | E85-C115 HydrophobicContact CB-CB 4.44Å; E85-C115 HydrophobicContact CG-CB 4.05Å; A111-C115 PolarHBondContact O-N 3.04Å; L112-C115 CarbonylContact O-C 3.57Å; L112-C115 PolarHBondContact O-N 3.31Å; C115-G117 PolarHBondContact O-N 3.38Å; C115-S118 PolarHBondContact O-N 3.35Å | ||
| 116 | E | 83.1 | Confident | 92.6 | Very high | 182 Ų | 182 | 47.7 Ų | 47.7 | 85% | 0.85 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -27.3 | -173.3 | -60 | -176.4 | 146.4 | 0 | 0 | 114.9 | L112 | L112-E116 WeakPolarHBondContact O-CA 3.44Å; L112-E116 PolarHBondContact O-N 2.87Å |
| 117 | G | 80.8 | Confident | 92.6 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | C115 R119 | C115-G117 PolarHBondContact O-N 3.38Å; G117-R119 PolarHBondContact O-N 3.37Å |
| 118 | S | 89.4 | Confident | 92.6 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | trans | -68.6 | 104.4 | -175.9 | 178.3 | 0 | 0 | 0 | 0 | 112.6 | E85 C115 R120 A121 L122 | E85-S118 WeakPolarHBondContact OE1-CB 3.21Å; E85-S118 PolarHBondContact OE1-OG 2.91Å; C115-S118 PolarHBondContact O-N 3.35Å; S118-R120 PolarHBondContact O-N 3.28Å; S118-R120 PolarHBondContact OG-N 3.11Å; S118-A121 PolarHBondContact O-N 3.46Å; S118-A121 PolarHBondContact OG-N 3.01Å; S118-A121 VanDerWaalsContact OG-N 3.07Å; S118-L122 WeakPolarHBondContact O-CB 3.32Å; S118-L122 PolarHBondContact O-N 3.12Å | ||
| 119 | R | 89.7 | Confident | 92.6 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -26.7 | 167.9 | -60.6 | -174 | -59.8 | 107.9 | 3.9 | 112.6 | G117 Y123 D152 | G117-R119 PolarHBondContact O-N 3.37Å; R119-Y123 VanDerWaalsContact O-CB 3.25Å; R119-Y123 WeakPolarHBondContact O-CB 3.42Å; R119-Y123 PolarHBondContact O-N 3.03Å; R119-Y123 VanDerWaalsContact O-N 3.15Å; R119-D152 IonicContact NH1-OD2 3.86Å; R119-D152 PolarHBondContact NH1-OD2 3.05Å |
| 120 | R | 91.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 41.3 Ų | 41.3 | 30% | 0.302 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.4 | -50.4 | 176.9 | -62.2 | 169.6 | 66.8 | -164.8 | 6.7 | 109.6 | E85 S86 V89 N90 S118 Y123 R124 | E85-R120 IonicContact OE1-NH1 3.33Å; E85-R120 IonicContact OE2-CZ 3.16Å; E85-R120 IonicContact OE2-NH1 2.94Å; E85-R120 PolarHBondContact OE2-NH1 2.98Å; S86-R120 PolarHBondContact OG-NH1 3.32Å; V89-R120 HydrophobicContact CG1-CB 3.88Å; V89-R120 HydrophobicContact CG2-CB 4.01Å; N90-R120 PolarHBondContact OD1-NH2 3.07Å; S118-R120 PolarHBondContact O-N 3.28Å; S118-R120 PolarHBondContact OG-N 3.11Å; R120-Y123 PolarHBondContact O-N 3.32Å; R120-R124 WeakPolarHBondContact O-CG 3.47Å; R120-R124 PolarHBondContact O-N 3.35Å |
| 121 | A | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -47.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V89 A111 L112 S118 Y123 R124 K125 | V89-A121 HydrophobicContact CG2-CB 3.92Å; A111-A121 HydrophobicContact CB-CB 3.59Å; L112-A121 HydrophobicContact CD1-CB 4.44Å; L112-A121 HydrophobicContact CD2-CB 3.92Å; L112-A121 HydrophobicContact CG-CB 3.78Å; S118-A121 PolarHBondContact O-N 3.46Å; S118-A121 PolarHBondContact OG-N 3.01Å; S118-A121 VanDerWaalsContact OG-N 3.07Å; A121-Y123 VanDerWaalsContact C-N 3.26Å; A121-Y123 PolarHBondContact O-N 3.36Å; A121-R124 PolarHBondContact O-N 3.22Å; A121-K125 WeakPolarHBondContact O-CB 3.48Å; A121-K125 PolarHBondContact O-N 3.01Å |
| 122 | L | 94.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.1 | -38.5 | 174.8 | -78.4 | 166.7 | 0 | 0 | 0 | 112.8 | L112 S118 A126 C141 I144 C145 | L112-L122 HydrophobicContact CD1-CD2 3.9Å; L112-L122 HydrophobicContact CD1-CG 4.13Å; L112-L122 HydrophobicContact CD2-CD2 4.42Å; L112-L122 HydrophobicContact CD2-CG 3.9Å; S118-L122 WeakPolarHBondContact O-CB 3.32Å; S118-L122 PolarHBondContact O-N 3.12Å; L122-A126 WeakPolarHBondContact O-CB 3.5Å; L122-A126 PolarHBondContact O-N 3.03Å; L122-C141 HydrophobicContact CD2-CB 4.41Å; L122-I144 HydrophobicContact CD1-CB 4.13Å; L122-I144 HydrophobicContact CD1-CG2 3.55Å; L122-I144 HydrophobicContact CD2-CB 4.48Å; L122-I144 HydrophobicContact CD2-CD1 4.36Å; L122-I144 HydrophobicContact CD2-CG2 4.44Å; L122-C145 WeakPolarHBondContact CB-SG 3.49Å |
| 123 | Y | 94.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 47.9 Ų | 47.9 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.3 | -41.4 | 176.9 | -178.8 | -120.7 | 0 | 0 | 0 | 112.7 | R119 R120 A121 A126 L127 Q154 V155 L158 | R119-Y123 VanDerWaalsContact O-CB 3.25Å; R119-Y123 WeakPolarHBondContact O-CB 3.42Å; R119-Y123 PolarHBondContact O-N 3.03Å; R119-Y123 VanDerWaalsContact O-N 3.15Å; R120-Y123 PolarHBondContact O-N 3.32Å; A121-Y123 VanDerWaalsContact C-N 3.26Å; A121-Y123 PolarHBondContact O-N 3.36Å; Y123-A126 PolarHBondContact O-N 3.2Å; Y123-L127 HydrophobicContact CD1-CD1 4.22Å; Y123-L127 HydrophobicContact CE1-CD1 3.82Å; Y123-L127 HydrophobicContact CE2-CD1 4.36Å; Y123-L127 HydrophobicContact CE2-CD2 4.47Å; Y123-L127 HydrophobicContact CE2-CG 4.31Å; Y123-L127 WeakPolarHBondContact O-CG 3.46Å; Y123-L127 PolarHBondContact O-N 3.31Å; Y123-Q154 HydrophobicContact CE2-CB 4.35Å; Y123-Q154 PolarHBondContact OH-OE1 3.04Å; Y123-V155 HydrophobicContact CD2-CG2 3.94Å; Y123-V155 HydrophobicContact CE2-CG2 4.35Å; Y123-L158 HydrophobicContact CD2-CD2 3.97Å; Y123-L158 HydrophobicContact CE2-CD2 3.65Å |
| 124 | R | 94.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 19% | 0.192 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 173.5 | -68.7 | -56 | -174.1 | -152.5 | 3.5 | 112.2 | V89 A92 R120 A121 L127 C128 | V89-R124 HydrophobicContact CG1-CG 4.28Å; A92-R124 HydrophobicContact CB-CB 4.38Å; R120-R124 WeakPolarHBondContact O-CG 3.47Å; R120-R124 PolarHBondContact O-N 3.35Å; A121-R124 PolarHBondContact O-N 3.22Å; R124-L127 PolarHBondContact O-N 3.11Å; R124-C128 PolarHBondContact O-N 3.04Å; R124-C128 PolarHBondContact O-SG 3.47Å |
| 125 | K | 96.1 | Very high | 92.7 | Very high | 32 Ų | 32 | 49.1 Ų | 49.1 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 170.9 | -179.5 | 155.4 | 170.6 | 166.3 | 0 | 111.5 | V105 S108 D109 A121 L127 C128 L129 | V105-K125 HydrophobicContact CG1-CD 4.25Å; V105-K125 HydrophobicContact CG1-CG 4.37Å; S108-K125 PolarHBondContact OG-N 2.8Å; D109-K125 WeakPolarHBondContact OD1-CD 3.36Å; D109-K125 IonicContact OD1-NZ 2.99Å; D109-K125 PolarHBondContact OD1-NZ 2.92Å; D109-K125 IonicContact OD2-NZ 2.91Å; D109-K125 PolarHBondContact OD2-NZ 2.68Å; A121-K125 WeakPolarHBondContact O-CB 3.48Å; A121-K125 PolarHBondContact O-N 3.01Å; K125-L127 VanDerWaalsContact C-N 3.31Å; K125-L127 PolarHBondContact O-N 3.34Å; K125-C128 PolarHBondContact O-N 2.93Å; K125-L129 HydrophobicContact CD-CD1 4.28Å; K125-L129 HydrophobicContact CG-CD1 3.52Å; K125-L129 HydrophobicContact CG-CG 4.06Å; K125-L129 VanDerWaalsContact O-CB 3.32Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 WeakPolarHBondContact O-CG 3.37Å; K125-L129 PolarHBondContact O-N 3.39Å |
| 126 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L122 Y123 K130 A138 C141 T142 L158 | L122-A126 WeakPolarHBondContact O-CB 3.5Å; L122-A126 PolarHBondContact O-N 3.03Å; Y123-A126 PolarHBondContact O-N 3.2Å; A126-K130 WeakPolarHBondContact O-CB 3.43Å; A126-K130 PolarHBondContact O-N 3.44Å; A126-A138 WeakPolarHBondContact O-CB 3.46Å; A126-C141 HydrophobicContact CB-CB 3.95Å; A126-T142 HydrophobicContact CB-CG2 3.81Å; A126-L158 HydrophobicContact CB-CD2 3.97Å |
| 127 | L | 95.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.6 | -50.9 | 174 | -70.1 | 169.7 | 0 | 0 | 0 | 111.8 | Y123 R124 K125 L129 K130 E131 L158 | Y123-L127 HydrophobicContact CD1-CD1 4.22Å; Y123-L127 HydrophobicContact CE1-CD1 3.82Å; Y123-L127 HydrophobicContact CE2-CD1 4.36Å; Y123-L127 HydrophobicContact CE2-CD2 4.47Å; Y123-L127 HydrophobicContact CE2-CG 4.31Å; Y123-L127 WeakPolarHBondContact O-CG 3.46Å; Y123-L127 PolarHBondContact O-N 3.31Å; R124-L127 PolarHBondContact O-N 3.11Å; K125-L127 VanDerWaalsContact C-N 3.31Å; K125-L127 PolarHBondContact O-N 3.34Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 3.18Å; L127-K130 WeakPolarHBondContact O-CB 3.27Å; L127-K130 PolarHBondContact O-N 3.49Å; L127-K130 VanDerWaalsContact O-N 3.12Å; L127-E131 PolarHBondContact O-N 2.74Å; L127-L158 HydrophobicContact CD2-CD1 4.2Å; L127-L158 HydrophobicContact CD2-CD2 3.88Å; L127-L158 HydrophobicContact CG-CD2 4.21Å |
| 128 | C | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | Y101 V105 R124 K125 E131 L132 | Y101-C128 WeakPolarHBondContact O-CB 3.46Å; V105-C128 HydrophobicContact CG2-CB 3.62Å; R124-C128 PolarHBondContact O-N 3.04Å; R124-C128 PolarHBondContact O-SG 3.47Å; K125-C128 PolarHBondContact O-N 2.93Å; C128-E131 PolarHBondContact O-N 2.97Å; C128-L132 WeakPolarHBondContact O-CB 3.15Å; C128-L132 VanDerWaalsContact O-CG 3.31Å; C128-L132 WeakPolarHBondContact O-CG 3.5Å; C128-L132 PolarHBondContact O-N 3.11Å; C128-L132 VanDerWaalsContact O-N 3.09Å |
| 129 | L | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -31.8 | 174.9 | -70.3 | 171.7 | 0 | 0 | 0 | 113.2 | V105 K125 L127 G133 K134 E137 A138 | V105-L129 HydrophobicContact CG1-CD2 4.34Å; V105-L129 HydrophobicContact CG2-CD2 3.91Å; V105-L129 HydrophobicContact CG2-CG 3.97Å; K125-L129 HydrophobicContact CD-CD1 4.28Å; K125-L129 HydrophobicContact CG-CD1 3.52Å; K125-L129 HydrophobicContact CG-CG 4.06Å; K125-L129 VanDerWaalsContact O-CB 3.32Å; K125-L129 WeakPolarHBondContact O-CB 3.46Å; K125-L129 WeakPolarHBondContact O-CG 3.37Å; K125-L129 PolarHBondContact O-N 3.39Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 3.18Å; L129-G133 PolarHBondContact O-N 3.08Å; L129-K134 HydrophobicContact CB-CB 4.26Å; L129-K134 HydrophobicContact CD2-CB 3.98Å; L129-K134 HydrophobicContact CD2-CD 3.65Å; L129-K134 HydrophobicContact CD2-CG 4.48Å; L129-K134 CarbonylContact O-C 3.58Å; L129-K134 WeakPolarHBondContact O-CA 3.31Å; L129-K134 WeakPolarHBondContact O-CB 3.47Å; L129-K134 PolarHBondContact O-N 3.18Å; L129-E137 HydrophobicContact CD1-CB 3.77Å; L129-E137 HydrophobicContact CD2-CB 4.29Å; L129-A138 HydrophobicContact CB-CB 3.69Å |
| 130 | K | 95.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -51 | 173.9 | 175.3 | -169.4 | 159.6 | -175.4 | 0 | 110.5 | A126 L127 L132 G133 L158 E161 L162 | A126-K130 WeakPolarHBondContact O-CB 3.43Å; A126-K130 PolarHBondContact O-N 3.44Å; L127-K130 WeakPolarHBondContact O-CB 3.27Å; L127-K130 PolarHBondContact O-N 3.49Å; L127-K130 VanDerWaalsContact O-N 3.12Å; K130-L132 VanDerWaalsContact C-N 3.27Å; K130-L132 PolarHBondContact O-N 3.29Å; K130-G133 PolarHBondContact O-N 3.25Å; K130-L158 HydrophobicContact CD-CD1 3.7Å; K130-E161 WeakPolarHBondContact CE-OE1 3.4Å; K130-E161 WeakPolarHBondContact CE-OE2 3.37Å; K130-E161 IonicContact NZ-OE1 3.84Å; K130-E161 PolarHBondContact NZ-OE1 2.85Å; K130-E161 IonicContact NZ-OE2 3.12Å; K130-E161 PolarHBondContact NZ-OE2 3.35Å; K130-L162 HydrophobicContact CB-CD2 4.11Å; K130-L162 HydrophobicContact CG-CD2 4.05Å |
| 131 | E | 94.8 | Very high | 94.6 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.9 | -23.6 | -177.5 | -53.4 | -50.3 | 127.8 | 0 | 0 | 112.2 | Y101 L127 C128 G133 | Y101-E131 HydrophobicContact CD1-CB 3.85Å; Y101-E131 HydrophobicContact CD1-CG 4.3Å; Y101-E131 HydrophobicContact CD2-CB 3.89Å; Y101-E131 HydrophobicContact CE1-CB 3.66Å; Y101-E131 HydrophobicContact CE1-CG 3.81Å; Y101-E131 HydrophobicContact CE2-CB 3.7Å; Y101-E131 HydrophobicContact CG-CB 3.96Å; L127-E131 PolarHBondContact O-N 2.74Å; C128-E131 PolarHBondContact O-N 2.97Å; E131-G133 PolarHBondContact O-N 3.1Å |
| 132 | L | 94.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 37% | 0.372 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 0.6 | 166.3 | -72.3 | 169.9 | 0 | 0 | 0 | 114.6 | V105 C128 K130 K134 | V105-L132 HydrophobicContact CG2-CD1 4.03Å; C128-L132 WeakPolarHBondContact O-CB 3.15Å; C128-L132 VanDerWaalsContact O-CG 3.31Å; C128-L132 WeakPolarHBondContact O-CG 3.5Å; C128-L132 PolarHBondContact O-N 3.11Å; C128-L132 VanDerWaalsContact O-N 3.09Å; K130-L132 VanDerWaalsContact C-N 3.27Å; K130-L132 PolarHBondContact O-N 3.29Å; L132-K134 HydrophobicContact CB-CD 4.41Å; L132-K134 HydrophobicContact CB-CG 4.46Å; L132-K134 PolarHBondContact O-N 2.87Å |
| 133 | G | 92.4 | Very high | 94.3 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 4.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L129 K130 E131 H135 | L129-G133 PolarHBondContact O-N 3.08Å; K130-G133 PolarHBondContact O-N 3.25Å; E131-G133 PolarHBondContact O-N 3.1Å; G133-H135 PolarHBondContact O-CD2 3.35Å; G133-H135 PolarHBondContact O-N 3.05Å |
| 134 | K | 95 | Very high | 94 | Very high | 93 Ų | 93 | 47 Ų | 47 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | trans | -79.8 | 50.2 | 178.6 | -74.7 | 173.8 | 149.9 | -112.4 | 0 | 111.3 | L129 L132 K136 E137 A138 | L129-K134 HydrophobicContact CB-CB 4.26Å; L129-K134 HydrophobicContact CD2-CB 3.98Å; L129-K134 HydrophobicContact CD2-CD 3.65Å; L129-K134 HydrophobicContact CD2-CG 4.48Å; L129-K134 CarbonylContact O-C 3.58Å; L129-K134 WeakPolarHBondContact O-CA 3.31Å; L129-K134 WeakPolarHBondContact O-CB 3.47Å; L129-K134 PolarHBondContact O-N 3.18Å; L132-K134 HydrophobicContact CB-CD 4.41Å; L132-K134 HydrophobicContact CB-CG 4.46Å; L132-K134 PolarHBondContact O-N 2.87Å; K134-K136 PolarHBondContact O-N 2.77Å; K134-E137 HydrophobicContact CB-CB 4.43Å; K134-E137 IonicContact NZ-OE1 3.98Å; K134-E137 PolarHBondContact NZ-OE1 3.08Å; K134-E137 IonicContact NZ-OE2 3.83Å; K134-E137 PolarHBondContact NZ-OE2 3.31Å; K134-E137 PolarHBondContact O-N 2.99Å; K134-E137 VanDerWaalsContact O-N 3.08Å; K134-A138 PolarHBondContact O-N 3.27Å | ||
| 135 | H | 93.9 | Very high | 93.7 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 25% | 0.25 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.6 | -30.5 | -169 | -55.6 | -60.4 | 0 | 0 | 0 | 114.2 | G133 Y139 L162 Q165 L166 | G133-H135 PolarHBondContact O-CD2 3.35Å; G133-H135 PolarHBondContact O-N 3.05Å; H135-Y139 VanDerWaalsContact O-CB 3.27Å; H135-Y139 WeakPolarHBondContact O-CB 3.39Å; H135-Y139 PolarHBondContact O-N 3.18Å; H135-L162 HydrophobicContact CB-CD2 4.03Å; H135-Q165 PolarHBondContact CE1-OE1 2.89Å; H135-Q165 PolarHBondContact ND1-OE1 3.44Å; H135-L166 HydrophobicContact CB-CD2 3.92Å; H135-L166 HydrophobicContact CB-CG 4.07Å |
| 136 | K | 92.7 | Very high | 93.3 | Very high | 142 Ų | 142 | 45 Ų | 45 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -68.5 | -53.1 | 176.2 | -172.9 | -173 | 172.7 | -168.4 | 0 | 112.1 | K134 A138 Y139 D140 L166 | K134-K136 PolarHBondContact O-N 2.77Å; K136-A138 VanDerWaalsContact C-N 3.26Å; K136-A138 PolarHBondContact O-N 3.26Å; K136-Y139 WeakPolarHBondContact O-CB 3.12Å; K136-Y139 PolarHBondContact O-N 2.9Å; K136-Y139 VanDerWaalsContact O-N 3.11Å; K136-D140 VanDerWaalsContact O-CG 3.31Å; K136-D140 PolarHBondContact O-N 3.39Å; K136-L166 HydrophobicContact CB-CD2 4.24Å |
| 137 | E | 93.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 177.4 | -62.4 | 169.4 | -141.8 | 0 | 0 | 110.4 | L129 K134 D140 C141 | L129-E137 HydrophobicContact CD1-CB 3.77Å; L129-E137 HydrophobicContact CD2-CB 4.29Å; K134-E137 HydrophobicContact CB-CB 4.43Å; K134-E137 IonicContact NZ-OE1 3.98Å; K134-E137 PolarHBondContact NZ-OE1 3.08Å; K134-E137 IonicContact NZ-OE2 3.83Å; K134-E137 PolarHBondContact NZ-OE2 3.31Å; K134-E137 PolarHBondContact O-N 2.99Å; K134-E137 VanDerWaalsContact O-N 3.08Å; E137-D140 PolarHBondContact O-N 2.95Å; E137-C141 PolarHBondContact O-N 3.24Å; E137-C141 PolarHBondContact O-SG 3.47Å |
| 138 | A | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A126 L129 K134 K136 C141 T142 L162 | A126-A138 WeakPolarHBondContact O-CB 3.46Å; L129-A138 HydrophobicContact CB-CB 3.69Å; K134-A138 PolarHBondContact O-N 3.27Å; K136-A138 VanDerWaalsContact C-N 3.26Å; K136-A138 PolarHBondContact O-N 3.26Å; A138-C141 PolarHBondContact O-N 3.47Å; A138-T142 WeakPolarHBondContact O-CG2 3.49Å; A138-T142 PolarHBondContact O-N 2.9Å; A138-L162 HydrophobicContact CB-CD1 3.72Å; A138-L162 HydrophobicContact CB-CD2 3.78Å; A138-L162 HydrophobicContact CB-CG 4.42Å |
| 139 | Y | 94.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 56.6 Ų | 56.6 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 178.7 | -178.3 | -103.2 | 0 | 0 | 0 | 110.8 | H135 K136 C141 T142 T143 S159 L162 A163 L166 M168 | H135-Y139 VanDerWaalsContact O-CB 3.27Å; H135-Y139 WeakPolarHBondContact O-CB 3.39Å; H135-Y139 PolarHBondContact O-N 3.18Å; K136-Y139 WeakPolarHBondContact O-CB 3.12Å; K136-Y139 PolarHBondContact O-N 2.9Å; K136-Y139 VanDerWaalsContact O-N 3.11Å; Y139-C141 VanDerWaalsContact C-N 3.31Å; Y139-C141 PolarHBondContact O-N 2.74Å; Y139-T142 CarbonylContact O-C 3.52Å; Y139-T142 WeakPolarHBondContact O-CA 3.4Å; Y139-T142 PolarHBondContact O-N 3.49Å; Y139-T142 PolarHBondContact O-OG1 2.65Å; Y139-T143 HydrophobicContact CD1-CG2 3.93Å; Y139-T143 HydrophobicContact CE1-CG2 3.53Å; Y139-T143 HydrophobicContact CE2-CG2 4.38Å; Y139-T143 WeakPolarHBondContact O-CG2 3.47Å; Y139-T143 PolarHBondContact O-N 2.63Å; Y139-S159 WeakPolarHBondContact CE2-O 3.18Å; Y139-L162 HydrophobicContact CD2-CB 4.1Å; Y139-A163 HydrophobicContact CD2-CB 4.35Å; Y139-A163 HydrophobicContact CE2-CB 3.86Å; Y139-L166 HydrophobicContact CG-CD1 4.1Å; Y139-M168 HydrophobicContact CD1-SD 4.3Å; Y139-M168 HydrophobicContact CE1-CE 4.03Å; Y139-M168 HydrophobicContact CE1-SD 4.12Å |
| 140 | D | 93.2 | Very high | 90.7 | Very high | 73 Ų | 73 | 61 Ų | 61 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.4 | -46 | 178 | -66.4 | -27 | 0 | 0 | 0 | 110.4 | K136 E137 T142 T143 I144 | K136-D140 VanDerWaalsContact O-CG 3.31Å; K136-D140 PolarHBondContact O-N 3.39Å; E137-D140 PolarHBondContact O-N 2.95Å; D140-T142 PolarHBondContact O-N 3.2Å; D140-T143 PolarHBondContact O-N 3.44Å; D140-T143 VanDerWaalsContact O-N 3.12Å; D140-T143 PolarHBondContact O-OG1 3.09Å; D140-I144 WeakPolarHBondContact O-CG1 3.47Å; D140-I144 PolarHBondContact O-N 2.89Å |
| 141 | C | 92.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 171.9 | -68 | 0 | 0 | 0 | 0 | 113.4 | L122 A126 E137 A138 Y139 T143 I144 C145 | L122-C141 HydrophobicContact CD2-CB 4.41Å; A126-C141 HydrophobicContact CB-CB 3.95Å; E137-C141 PolarHBondContact O-N 3.24Å; E137-C141 PolarHBondContact O-SG 3.47Å; A138-C141 PolarHBondContact O-N 3.47Å; Y139-C141 VanDerWaalsContact C-N 3.31Å; Y139-C141 PolarHBondContact O-N 2.74Å; C141-T143 VanDerWaalsContact C-N 3.34Å; C141-T143 PolarHBondContact O-N 3.2Å; C141-I144 PolarHBondContact O-N 2.75Å; C141-C145 PolarHBondContact O-N 2.89Å |
| 142 | T | 92.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 174.6 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | A126 A138 Y139 D140 I144 C145 L146 V155 L158 S159 L162 | A126-T142 HydrophobicContact CB-CG2 3.81Å; A138-T142 WeakPolarHBondContact O-CG2 3.49Å; A138-T142 PolarHBondContact O-N 2.9Å; Y139-T142 CarbonylContact O-C 3.52Å; Y139-T142 WeakPolarHBondContact O-CA 3.4Å; Y139-T142 PolarHBondContact O-N 3.49Å; Y139-T142 PolarHBondContact O-OG1 2.65Å; D140-T142 PolarHBondContact O-N 3.2Å; T142-I144 VanDerWaalsContact C-N 3.34Å; T142-I144 PolarHBondContact O-N 3.12Å; T142-C145 PolarHBondContact O-N 3.13Å; T142-L146 WeakPolarHBondContact O-CG 3.28Å; T142-L146 PolarHBondContact O-N 3.4Å; T142-V155 HydrophobicContact CG2-CG1 4.2Å; T142-L158 HydrophobicContact CG2-CB 4.39Å; T142-L158 HydrophobicContact CG2-CD2 3.79Å; T142-L158 HydrophobicContact CG2-CG 3.9Å; T142-S159 VanDerWaalsContact OG1-CB 3.31Å; T142-S159 WeakPolarHBondContact OG1-CB 3.21Å; T142-L162 HydrophobicContact CG2-CD1 3.89Å |
| 143 | T | 90.3 | Very high | 89.1 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.3 | 70 | 0 | 0 | 0 | 0 | 111.9 | Y139 D140 C141 L146 L147 | Y139-T143 HydrophobicContact CD1-CG2 3.93Å; Y139-T143 HydrophobicContact CE1-CG2 3.53Å; Y139-T143 HydrophobicContact CE2-CG2 4.38Å; Y139-T143 WeakPolarHBondContact O-CG2 3.47Å; Y139-T143 PolarHBondContact O-N 2.63Å; D140-T143 PolarHBondContact O-N 3.44Å; D140-T143 VanDerWaalsContact O-N 3.12Å; D140-T143 PolarHBondContact O-OG1 3.09Å; C141-T143 VanDerWaalsContact C-N 3.34Å; C141-T143 PolarHBondContact O-N 3.2Å; T143-L146 PolarHBondContact O-N 3.45Å; T143-L147 VanDerWaalsContact O-CG 3.32Å; T143-L147 WeakPolarHBondContact O-CG 3.5Å; T143-L147 PolarHBondContact O-N 2.98Å |
| 144 | I | 89.5 | Confident | 88.9 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 42% | 0.415 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.6 | -59.4 | 167 | 0 | 0 | 0 | 110.4 | L122 D140 C141 T142 L146 L147 S148 | L122-I144 HydrophobicContact CD1-CB 4.13Å; L122-I144 HydrophobicContact CD1-CG2 3.55Å; L122-I144 HydrophobicContact CD2-CB 4.48Å; L122-I144 HydrophobicContact CD2-CD1 4.36Å; L122-I144 HydrophobicContact CD2-CG2 4.44Å; D140-I144 WeakPolarHBondContact O-CG1 3.47Å; D140-I144 PolarHBondContact O-N 2.89Å; C141-I144 PolarHBondContact O-N 2.75Å; T142-I144 VanDerWaalsContact C-N 3.34Å; T142-I144 PolarHBondContact O-N 3.12Å; I144-L146 VanDerWaalsContact C-N 3.33Å; I144-L146 PolarHBondContact O-N 3.41Å; I144-L147 PolarHBondContact O-N 2.73Å; I144-S148 PolarHBondContact O-N 2.9Å; I144-S148 VanDerWaalsContact O-N 3.15Å; I144-S148 PolarHBondContact O-OG 2.66Å |
| 145 | C | 87.4 | Confident | 88.6 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 172.8 | -86.6 | 0 | 0 | 0 | 0 | 112.9 | L122 C141 T142 S148 N149 V155 | L122-C145 WeakPolarHBondContact CB-SG 3.49Å; C141-C145 PolarHBondContact O-N 2.89Å; T142-C145 PolarHBondContact O-N 3.13Å; C145-S148 PolarHBondContact O-N 3.09Å; C145-N149 PolarHBondContact O-N 3.25Å; C145-V155 HydrophobicContact CB-CG1 3.63Å; C145-V155 HydrophobicContact CB-CG2 4.21Å |
| 146 | L | 87.7 | Confident | 88.5 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.199 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.3 | -28.8 | 179.1 | -68.2 | 174.3 | 0 | 0 | 0 | 113.4 | T142 T143 I144 S148 N149 P150 V155 I156 | T142-L146 WeakPolarHBondContact O-CG 3.28Å; T142-L146 PolarHBondContact O-N 3.4Å; T143-L146 PolarHBondContact O-N 3.45Å; I144-L146 VanDerWaalsContact C-N 3.33Å; I144-L146 PolarHBondContact O-N 3.41Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-N149 CarbonylContact O-C 3.5Å; L146-P150 WeakPolarHBondContact O-CA 3.42Å; L146-P150 WeakPolarHBondContact O-CD 3.36Å; L146-P150 VanDerWaalsContact O-CG 3.27Å; L146-P150 WeakPolarHBondContact O-CG 3.45Å; L146-P150 VanDerWaalsContact O-N 3.1Å; L146-V155 HydrophobicContact CD1-CG1 4.37Å; L146-V155 HydrophobicContact CD2-CB 3.95Å; L146-V155 HydrophobicContact CD2-CG1 3.86Å; L146-V155 HydrophobicContact CG-CB 4.37Å; L146-V155 HydrophobicContact CG-CG1 3.71Å; L146-I156 HydrophobicContact CD2-CG1 3.58Å |
| 147 | L | 86.6 | Confident | 88.4 | Confident | 143 Ų | 143 | 57 Ų | 57 | 75% | 0.749 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.4 | -35.8 | 170.2 | -72.7 | 168.6 | 0 | 0 | 0 | 111.3 | T143 I144 | T143-L147 VanDerWaalsContact O-CG 3.32Å; T143-L147 WeakPolarHBondContact O-CG 3.5Å; T143-L147 PolarHBondContact O-N 2.98Å; I144-L147 PolarHBondContact O-N 2.73Å |
| 148 | S | 82.3 | Confident | 88.3 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78.4 | -36.9 | 175.1 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | I144 C145 L146 | I144-S148 PolarHBondContact O-N 2.9Å; I144-S148 VanDerWaalsContact O-N 3.15Å; I144-S148 PolarHBondContact O-OG 2.66Å; C145-S148 PolarHBondContact O-N 3.09Å; L146-S148 VanDerWaalsContact C-N 3.3Å |
| 149 | N | 79.9 | Confident | 88.3 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | trans | -143.1 | 91.9 | 176.4 | -177.1 | 12.1 | 0 | 0 | 0 | 112.3 | C145 L146 Q151 D152 | C145-N149 PolarHBondContact O-N 3.25Å; L146-N149 CarbonylContact O-C 3.5Å; N149-Q151 PolarHBondContact O-N 2.85Å; N149-Q151 PolarHBondContact OD1-N 2.69Å; N149-D152 PolarHBondContact O-N 3.37Å | ||
| 150 | P | 81.3 | Confident | 88.1 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 4.6 | -178.3 | -21.4 | 31.3 | 0 | 0 | 0 | 116.5 | L146 | L146-P150 WeakPolarHBondContact O-CA 3.42Å; L146-P150 WeakPolarHBondContact O-CD 3.36Å; L146-P150 VanDerWaalsContact O-CG 3.27Å; L146-P150 WeakPolarHBondContact O-CG 3.45Å; L146-P150 VanDerWaalsContact O-N 3.1Å |
| 151 | Q | 78.9 | Confident | 88.1 | Confident | 118 Ų | 118 | 56 Ų | 56 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 1.2 | -176.2 | -70.3 | 177.8 | 83.8 | 0 | 0 | 113.7 | N149 K153 P214 | N149-Q151 PolarHBondContact O-N 2.85Å; N149-Q151 PolarHBondContact OD1-N 2.69Å; Q151-K153 PolarHBondContact O-N 3.48Å; Q151-K153 VanDerWaalsContact O-N 3.09Å; Q151-P214 HydrophobicContact CG-CG 3.93Å; Q151-P214 VanDerWaalsContact OE1-CG 3.22Å |
| 152 | D | 84.1 | Confident | 88.1 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | trans | -74.6 | 100.7 | -176.4 | -157.1 | -45.9 | 0 | 0 | 0 | 111.5 | R119 N149 Q154 V155 I156 | R119-D152 IonicContact NH1-OD2 3.86Å; R119-D152 PolarHBondContact NH1-OD2 3.05Å; N149-D152 PolarHBondContact O-N 3.37Å; D152-Q154 VanDerWaalsContact C-N 3.27Å; D152-Q154 PolarHBondContact O-N 3.46Å; D152-Q154 PolarHBondContact OD1-N 2.9Å; D152-V155 HydrophobicContact CB-CB 4.19Å; D152-V155 HydrophobicContact CB-CG2 3.94Å; D152-V155 PolarHBondContact O-N 2.95Å; D152-I156 VanDerWaalsContact O-CG1 3.26Å; D152-I156 WeakPolarHBondContact O-CG1 3.4Å; D152-I156 PolarHBondContact O-N 3.22Å | ||
| 153 | K | 88.4 | Confident | 88.1 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -34.2 | -171.7 | -58.7 | -179.2 | -164.1 | 165 | 0 | 113.4 | Q151 I156 E157 H218 | Q151-K153 PolarHBondContact O-N 3.48Å; Q151-K153 VanDerWaalsContact O-N 3.09Å; K153-I156 PolarHBondContact O-N 3.37Å; K153-E157 WeakPolarHBondContact O-CB 3.36Å; K153-E157 WeakPolarHBondContact O-CG 3.49Å; K153-E157 PolarHBondContact O-N 3.33Å; K153-H218 PolarHBondContact NZ-CD2 3.34Å; K153-H218 PolarHBondContact NZ-CE1 2.96Å; K153-H218 VanDerWaalsContact NZ-CE1 3.3Å; K153-H218 PolarHBondContact NZ-NE2 3.31Å |
| 154 | Q | 87.9 | Confident | 88.1 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 180 | -67.5 | -172.8 | 0 | 0 | 0 | 110.2 | Y123 D152 E157 L158 | Y123-Q154 HydrophobicContact CE2-CB 4.35Å; Y123-Q154 PolarHBondContact OH-OE1 3.04Å; D152-Q154 VanDerWaalsContact C-N 3.27Å; D152-Q154 PolarHBondContact O-N 3.46Å; D152-Q154 PolarHBondContact OD1-N 2.9Å; Q154-E157 PolarHBondContact O-N 2.7Å; Q154-L158 WeakPolarHBondContact O-CB 3.46Å; Q154-L158 PolarHBondContact O-N 2.91Å |
| 155 | V | 90.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 174.8 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | Y123 T142 C145 L146 D152 S159 | Y123-V155 HydrophobicContact CD2-CG2 3.94Å; Y123-V155 HydrophobicContact CE2-CG2 4.35Å; T142-V155 HydrophobicContact CG2-CG1 4.2Å; C145-V155 HydrophobicContact CB-CG1 3.63Å; C145-V155 HydrophobicContact CB-CG2 4.21Å; L146-V155 HydrophobicContact CD1-CG1 4.37Å; L146-V155 HydrophobicContact CD2-CB 3.95Å; L146-V155 HydrophobicContact CD2-CG1 3.86Å; L146-V155 HydrophobicContact CG-CB 4.37Å; L146-V155 HydrophobicContact CG-CG1 3.71Å; D152-V155 HydrophobicContact CB-CB 4.19Å; D152-V155 HydrophobicContact CB-CG2 3.94Å; D152-V155 PolarHBondContact O-N 2.95Å; V155-S159 VanDerWaalsContact O-CB 3.24Å; V155-S159 WeakPolarHBondContact O-CB 3.35Å; V155-S159 PolarHBondContact O-N 2.86Å; V155-S159 PolarHBondContact O-OG 3.48Å |
| 156 | I | 90.6 | Very high | 88.3 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 174.9 | -68.7 | 167.4 | 0 | 0 | 0 | 110.3 | L146 D152 K153 S159 Q160 | L146-I156 HydrophobicContact CD2-CG1 3.58Å; D152-I156 VanDerWaalsContact O-CG1 3.26Å; D152-I156 WeakPolarHBondContact O-CG1 3.4Å; D152-I156 PolarHBondContact O-N 3.22Å; K153-I156 PolarHBondContact O-N 3.37Å; I156-S159 PolarHBondContact O-N 3.08Å; I156-S159 PolarHBondContact O-OG 2.92Å; I156-Q160 VanDerWaalsContact CG2-NE2 3.29Å; I156-Q160 WeakPolarHBondContact O-CG 3.37Å; I156-Q160 PolarHBondContact O-N 2.84Å |
| 157 | E | 91.6 | Very high | 88.3 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 179.5 | -74.9 | -180 | -155 | 0 | 0 | 111.7 | K153 Q154 S159 Q160 E161 Q219 V220 | K153-E157 WeakPolarHBondContact O-CB 3.36Å; K153-E157 WeakPolarHBondContact O-CG 3.49Å; K153-E157 PolarHBondContact O-N 3.33Å; Q154-E157 PolarHBondContact O-N 2.7Å; E157-S159 PolarHBondContact O-N 3.34Å; E157-Q160 PolarHBondContact O-N 2.99Å; E157-E161 PolarHBondContact O-N 2.79Å; E157-Q219 VanDerWaalsContact OE1-CB 3.28Å; E157-Q219 WeakPolarHBondContact OE1-CB 3.43Å; E157-Q219 WeakPolarHBondContact OE1-CG 3.31Å; E157-Q219 PolarHBondContact OE1-NE2 2.7Å; E157-V220 WeakPolarHBondContact OE2-CG2 3.44Å |
| 158 | L | 91.8 | Very high | 88.2 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176 | -177.4 | 62 | 0 | 0 | 0 | 111.9 | Y123 A126 L127 K130 T142 Q154 Q160 E161 L162 | Y123-L158 HydrophobicContact CD2-CD2 3.97Å; Y123-L158 HydrophobicContact CE2-CD2 3.65Å; A126-L158 HydrophobicContact CB-CD2 3.97Å; L127-L158 HydrophobicContact CD2-CD1 4.2Å; L127-L158 HydrophobicContact CD2-CD2 3.88Å; L127-L158 HydrophobicContact CG-CD2 4.21Å; K130-L158 HydrophobicContact CD-CD1 3.7Å; T142-L158 HydrophobicContact CG2-CB 4.39Å; T142-L158 HydrophobicContact CG2-CD2 3.79Å; T142-L158 HydrophobicContact CG2-CG 3.9Å; Q154-L158 WeakPolarHBondContact O-CB 3.46Å; Q154-L158 PolarHBondContact O-N 2.91Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.48Å; L158-E161 PolarHBondContact O-N 2.82Å; L158-L162 HydrophobicContact CD1-CD1 4.07Å; L158-L162 HydrophobicContact CD1-CG 4.33Å; L158-L162 HydrophobicContact CG-CD1 3.85Å; L158-L162 WeakPolarHBondContact O-CB 3.15Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.18Å; L158-L162 PolarHBondContact O-N 3.34Å |
| 159 | S | 93.4 | Very high | 87.9 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -31.9 | 177.3 | 75.9 | 0 | 0 | 0 | 0 | 112.9 | Y139 T142 V155 I156 E157 A163 | Y139-S159 WeakPolarHBondContact CE2-O 3.18Å; T142-S159 VanDerWaalsContact OG1-CB 3.31Å; T142-S159 WeakPolarHBondContact OG1-CB 3.21Å; V155-S159 VanDerWaalsContact O-CB 3.24Å; V155-S159 WeakPolarHBondContact O-CB 3.35Å; V155-S159 PolarHBondContact O-N 2.86Å; V155-S159 PolarHBondContact O-OG 3.48Å; I156-S159 PolarHBondContact O-N 3.08Å; I156-S159 PolarHBondContact O-OG 2.92Å; E157-S159 PolarHBondContact O-N 3.34Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 3.46Å |
| 160 | Q | 91 | Very high | 87.3 | Confident | 92 Ų | 92 | 67.1 Ų | 67.1 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.1 | -37.2 | 176.8 | -72.3 | 175.9 | 16.8 | 0 | 0 | 111.6 | I156 E157 L158 S164 I170 | I156-Q160 VanDerWaalsContact CG2-NE2 3.29Å; I156-Q160 WeakPolarHBondContact O-CG 3.37Å; I156-Q160 PolarHBondContact O-N 2.84Å; E157-Q160 PolarHBondContact O-N 2.99Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.48Å; Q160-S164 WeakPolarHBondContact O-CB 3.21Å; Q160-S164 PolarHBondContact O-N 3.16Å; Q160-S164 PolarHBondContact O-OG 3.27Å; Q160-I170 HydrophobicContact CB-CD1 4.34Å; Q160-I170 HydrophobicContact CG-CD1 4.49Å |
| 161 | E | 92.8 | Very high | 86.4 | Confident | 81 Ų | 81 | 73.4 Ų | 73.4 | 38% | 0.379 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -51.9 | 171.6 | -173.5 | -178.8 | -165.3 | 0 | 0 | 110.6 | K130 E157 L158 S164 Q165 | K130-E161 WeakPolarHBondContact CE-OE1 3.4Å; K130-E161 WeakPolarHBondContact CE-OE2 3.37Å; K130-E161 IonicContact NZ-OE1 3.84Å; K130-E161 PolarHBondContact NZ-OE1 2.85Å; K130-E161 IonicContact NZ-OE2 3.12Å; K130-E161 PolarHBondContact NZ-OE2 3.35Å; E157-E161 PolarHBondContact O-N 2.79Å; L158-E161 PolarHBondContact O-N 2.82Å; E161-S164 WeakPolarHBondContact O-CB 3.35Å; E161-S164 PolarHBondContact O-N 2.94Å; E161-S164 VanDerWaalsContact O-N 3.11Å; E161-Q165 WeakPolarHBondContact O-CG 3.47Å; E161-Q165 PolarHBondContact O-N 3.34Å |
| 162 | L | 92.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.4 | -69.9 | 166.9 | 0 | 0 | 0 | 112.4 | K130 H135 A138 Y139 T142 L158 S164 Q165 L166 | K130-L162 HydrophobicContact CB-CD2 4.11Å; K130-L162 HydrophobicContact CG-CD2 4.05Å; H135-L162 HydrophobicContact CB-CD2 4.03Å; A138-L162 HydrophobicContact CB-CD1 3.72Å; A138-L162 HydrophobicContact CB-CD2 3.78Å; A138-L162 HydrophobicContact CB-CG 4.42Å; Y139-L162 HydrophobicContact CD2-CB 4.1Å; T142-L162 HydrophobicContact CG2-CD1 3.89Å; L158-L162 HydrophobicContact CD1-CD1 4.07Å; L158-L162 HydrophobicContact CD1-CG 4.33Å; L158-L162 HydrophobicContact CG-CD1 3.85Å; L158-L162 WeakPolarHBondContact O-CB 3.15Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.18Å; L158-L162 PolarHBondContact O-N 3.34Å; L162-S164 VanDerWaalsContact C-N 3.25Å; L162-S164 PolarHBondContact O-N 2.95Å; L162-Q165 PolarHBondContact O-N 3.44Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.42Å; L162-L166 PolarHBondContact O-N 3.27Å |
| 163 | A | 91.4 | Very high | 84.2 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 4% | 0.041 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y139 S159 G167 M168 I170 | Y139-A163 HydrophobicContact CD2-CB 4.35Å; Y139-A163 HydrophobicContact CE2-CB 3.86Å; S159-A163 WeakPolarHBondContact O-CB 3.26Å; S159-A163 PolarHBondContact O-N 3.46Å; A163-G167 PolarHBondContact O-N 3.3Å; A163-M168 HydrophobicContact CB-CB 4.29Å; A163-M168 WeakPolarHBondContact O-CB 3.3Å; A163-M168 PolarHBondContact O-N 2.98Å; A163-I170 HydrophobicContact CB-CD1 4.22Å; A163-I170 HydrophobicContact CB-CG1 4.02Å |
| 164 | S | 90.3 | Very high | 82.6 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Q160 E161 L162 L166 G167 | Q160-S164 WeakPolarHBondContact O-CB 3.21Å; Q160-S164 PolarHBondContact O-N 3.16Å; Q160-S164 PolarHBondContact O-OG 3.27Å; E161-S164 WeakPolarHBondContact O-CB 3.35Å; E161-S164 PolarHBondContact O-N 2.94Å; E161-S164 VanDerWaalsContact O-N 3.11Å; L162-S164 VanDerWaalsContact C-N 3.25Å; L162-S164 PolarHBondContact O-N 2.95Å; S164-L166 VanDerWaalsContact C-N 3.29Å; S164-L166 PolarHBondContact O-N 3.49Å; S164-G167 PolarHBondContact O-N 3.37Å; S164-G167 VanDerWaalsContact O-N 3.1Å |
| 165 | Q | 90.3 | Very high | 80.5 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 174.3 | -71.5 | 170.1 | -20.8 | 0 | 0 | 112.1 | H135 E161 L162 G167 | H135-Q165 PolarHBondContact CE1-OE1 2.89Å; H135-Q165 PolarHBondContact ND1-OE1 3.44Å; E161-Q165 WeakPolarHBondContact O-CG 3.47Å; E161-Q165 PolarHBondContact O-N 3.34Å; L162-Q165 PolarHBondContact O-N 3.44Å; Q165-G167 VanDerWaalsContact C-N 3.27Å; Q165-G167 PolarHBondContact O-N 3.32Å |
| 166 | L | 91.1 | Very high | 78.3 | Confident | 64 Ų | 64 | 87.9 Ų | 87.9 | 34% | 0.335 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.7 | 174.7 | -67.3 | 169.7 | 0 | 0 | 0 | 114.2 | H135 K136 Y139 L162 S164 M168 | H135-L166 HydrophobicContact CB-CD2 3.92Å; H135-L166 HydrophobicContact CB-CG 4.07Å; K136-L166 HydrophobicContact CB-CD2 4.24Å; Y139-L166 HydrophobicContact CG-CD1 4.1Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.42Å; L162-L166 PolarHBondContact O-N 3.27Å; S164-L166 VanDerWaalsContact C-N 3.29Å; S164-L166 PolarHBondContact O-N 3.49Å; L166-M168 HydrophobicContact CB-CG 3.75Å; L166-M168 HydrophobicContact CB-SD 3.95Å; L166-M168 HydrophobicContact CD1-SD 3.86Å; L166-M168 PolarHBondContact O-N 3.04Å |
| 167 | G | 87.1 | Confident | 75.7 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 67% | 0.67 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 17 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A163 S164 Q165 | A163-G167 PolarHBondContact O-N 3.3Å; S164-G167 PolarHBondContact O-N 3.37Å; S164-G167 VanDerWaalsContact O-N 3.1Å; Q165-G167 VanDerWaalsContact C-N 3.27Å; Q165-G167 PolarHBondContact O-N 3.32Å |
| 168 | M | 85.4 | Confident | 73.3 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | trans | -76.1 | 130.9 | -174.8 | -62.3 | 179 | 77.2 | 0 | 0 | 110.9 | Y139 A163 L166 I170 | Y139-M168 HydrophobicContact CD1-SD 4.3Å; Y139-M168 HydrophobicContact CE1-CE 4.03Å; Y139-M168 HydrophobicContact CE1-SD 4.12Å; A163-M168 HydrophobicContact CB-CB 4.29Å; A163-M168 WeakPolarHBondContact O-CB 3.3Å; A163-M168 PolarHBondContact O-N 2.98Å; L166-M168 HydrophobicContact CB-CG 3.75Å; L166-M168 HydrophobicContact CB-SD 3.95Å; L166-M168 HydrophobicContact CD1-SD 3.86Å; L166-M168 PolarHBondContact O-N 3.04Å; M168-I170 PolarHBondContact O-N 3.45Å | ||
| 169 | K | 75.9 | Confident | 70.6 | Confident | 196 Ų | 196 | 99.4 Ų | 99.4 | 85% | 0.852 | 52% | 0.521 | S | S | * | . | trans | -69.2 | 93.5 | 179.1 | -66.9 | -175.1 | 179.4 | -178.6 | 0 | 110.8 | R171 | K169-R171 PolarHBondContact O-N 2.9Š| ||
| 170 | I | 66.6 | Low | 68 | Low | 96 Ų | 96 | 105.7 Ų | 105.7 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | trans | -58 | 104.4 | 177.3 | -56.7 | 178.2 | 0 | 0 | 0 | 109.7 | Q160 A163 M168 | Q160-I170 HydrophobicContact CB-CD1 4.34Å; Q160-I170 HydrophobicContact CG-CD1 4.49Å; A163-I170 HydrophobicContact CB-CD1 4.22Å; A163-I170 HydrophobicContact CB-CG1 4.02Å; M168-I170 PolarHBondContact O-N 3.45Å | ||
| 171 | R | 63.6 | Low | 65.4 | Low | 227 Ų | 227 | 108.7 Ų | 108.7 | 86% | 0.857 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 131.2 | 176 | -64.3 | -177.1 | -179.6 | -176.7 | -0.6 | 109.5 | K169 | K169-R171 PolarHBondContact O-N 2.9Š|
| 172 | K | 61.9 | Low | 62.3 | Low | 196 Ų | 196 | 115.9 Ų | 115.9 | 85% | 0.852 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.2 | 168.3 | -68.3 | 177.6 | -179.3 | 172.7 | 0 | 108.7 | Y174 | K172-Y174 PolarHBondContact O-N 3.41Š|
| 173 | P | 55.3 | Low | 59.4 | Low | 108 Ų | 108 | 123.7 Ų | 123.7 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 136.2 | 178.2 | -26.6 | 34.8 | 0 | 0 | 0 | 111.4 | T175 | P173-T175 PolarHBondContact O-N 2.85Š|
| 174 | Y | 53.3 | Low | 56.5 | Low | 194 Ų | 194 | 126.9 Ų | 126.9 | 76% | 0.761 | 67% | 0.674 | S | S | * | * | trans | -66.3 | 109.4 | 178.6 | 174.7 | -109.4 | 0 | 0 | 0 | 110.3 | K172 P176 | K172-Y174 PolarHBondContact O-N 3.41Å; Y174-P176 HydrophobicContact CD1-CG 4.44Å; Y174-P176 HydrophobicContact CE1-CB 3.71Å; Y174-P176 HydrophobicContact CE1-CG 3.95Å; Y174-P176 WeakPolarHBondContact O-CD 3.42Å | ||
| 175 | T | 44.6 | Very low | 53.7 | Low | 100 Ų | 100 | 129.3 Ų | 129.3 | 61% | 0.613 | 69% | 0.686 | S | S | * | * | trans | -102.7 | 94.6 | 177.1 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | P173 R213 | P173-T175 PolarHBondContact O-N 2.85Å; T175-R213 VanDerWaalsContact C-NH2 3.27Å; T175-R213 VanDerWaalsContact CA-NH2 3.31Å; T175-R213 VanDerWaalsContact CB-NH2 3.32Å | ||
| 176 | P | 43 | Very low | 50.7 | Low | 51 Ų | 51 | 132.7 Ų | 132.7 | 33% | 0.331 | 71% | 0.707 | S | S | . | * | trans | -60 | 139.6 | -179.5 | 17.9 | -27.7 | 0 | 0 | 0 | 111.4 | Y174 R213 | Y174-P176 HydrophobicContact CD1-CG 4.44Å; Y174-P176 HydrophobicContact CE1-CB 3.71Å; Y174-P176 HydrophobicContact CE1-CG 3.95Å; Y174-P176 WeakPolarHBondContact O-CD 3.42Å; P176-R213 PolarHBondContact O-NH1 3.29Å; P176-R213 VanDerWaalsContact O-NH1 3.17Å; P176-R213 PolarHBondContact O-NH2 2.68Å | ||
| 177 | P | 37.1 | Very low | 47.6 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | trans | -70.4 | 138.4 | 178.9 | 29.4 | -34.6 | 0 | 0 | 0 | 111 | N179 | P177-N179 PolarHBondContact O-N 3.09Å; P177-N179 VanDerWaalsContact O-N 3.12Å | ||
| 178 | S | 39.7 | Very low | 45.1 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -78.2 | 92.2 | 173.2 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | V180 | S178-V180 PolarHBondContact O-N 3.38Š| ||
| 179 | N | 36.4 | Very low | 42.3 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -60.3 | 133.2 | -177.1 | -80.7 | -16 | 0 | 0 | 0 | 112.7 | P177 I181 | P177-N179 PolarHBondContact O-N 3.09Å; P177-N179 VanDerWaalsContact O-N 3.12Å; N179-I181 PolarHBondContact O-N 3.31Å | ||
| 180 | V | 39.1 | Very low | 40.1 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 87% | 0.873 | 74% | 0.74 | S | S | * | * | trans | -79.8 | 112.4 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | S178 | S178-V180 PolarHBondContact O-N 3.38Š| ||
| 181 | I | 35.5 | Very low | 38.2 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 131.3 | 170.9 | -62.4 | -178.8 | 0 | 0 | 0 | 109.5 | N179 | N179-I181 PolarHBondContact O-N 3.31Š|
| 182 | R | 29 | Very low | 36.3 | Very low | 233 Ų | 233 | 132.6 Ų | 132.6 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 134.7 | 179.7 | -177.6 | 179.7 | 179.4 | -179.1 | -0.4 | 109.1 | ||
| 183 | N | 31.6 | Very low | 34.6 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60 | 143.6 | -174.5 | -71.6 | -10 | 0 | 0 | 0 | 113.7 | ||
| 184 | G | 28.9 | Very low | 33.2 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -161.4 | 32.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 185 | V | 32.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 42.5 | 125.5 | 150.1 | -175.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 186 | N | 26.7 | Very low | 31.3 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 115.6 | 133.9 | 157.3 | -71.5 | -26.1 | 0 | 0 | 0 | 119.2 | ||||
| 187 | H | 27.1 | Very low | 30.4 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -104.4 | 159.6 | 158.7 | -109.8 | -61.9 | 0 | 0 | 0 | 107.6 | ||||
| 188 | P | 34.1 | Very low | 30 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -130.5 | -166 | 56 | 12.8 | 13.7 | 0 | 0 | 0 | 111.8 | |||||
| 189 | S | 25.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | cis | 161.9 | 123.9 | -30.8 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 190 | A | 30.7 | Very low | 28.8 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | trans | 73.5 | 141.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 191 | D | 25.8 | Very low | 28.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 82.7 | 128.2 | 145.7 | -60.6 | -22.4 | 0 | 0 | 0 | 126 | ||||
| 192 | A | 24.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 67.1 | 149.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 193 | A | 25.9 | Very low | 28.2 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | cis | -165.8 | 146.3 | -23.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 194 | V | 25.6 | Very low | 28.3 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 34.2 | 118.4 | 144.4 | -175.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 195 | V | 25.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | -142.5 | 137.1 | 121.4 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 196 | F | 32.5 | Very low | 28.5 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | trans | -155.9 | 130.5 | 176 | -142 | -70.2 | 0 | 0 | 0 | 110.8 | S198 | F196-S198 WeakPolarHBondContact CD1-OG 3.24Š| ||
| 197 | C | 24.7 | Very low | 28.4 | Very low | 128 Ų | 128 | 125 Ų | 125 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -164.9 | 146.4 | 162.7 | -98.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 198 | S | 29.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | cis | 149.8 | 104.2 | -42.6 | -77.7 | 0 | 0 | 0 | 0 | 111 | F196 | F196-S198 WeakPolarHBondContact CD1-OG 3.24Š| ||
| 199 | A | 25.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -165.5 | 132.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 200 | A | 25.1 | Very low | 29.5 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | cis | -148.1 | 171.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 201 | K | 31.7 | Very low | 29.3 | Very low | 175 Ų | 175 | 122.4 Ų | 122.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -131.9 | 165.7 | 170.2 | -60.8 | -168.3 | -179.1 | -178.7 | 0 | 109.4 | A203 | K201-A203 HydrophobicContact CB-CB 4.01Å; K201-A203 HydrophobicContact CD-CB 4.01Å | ||
| 202 | P | 32.3 | Very low | 29.4 | Very low | 128 Ų | 128 | 118.1 Ų | 118.1 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | -115 | 151.8 | 70.8 | -3.3 | 25.3 | 0 | 0 | 0 | 112.7 | |||||
| 203 | A | 27 | Very low | 29.3 | Very low | 64 Ų | 64 | 121 Ų | 121 | 53% | 0.529 | 77% | 0.769 | S | S | . | * | cis | 75.6 | 129.9 | 18 | 0 | 0 | 0 | 0 | 0 | 114.7 | K201 | K201-A203 HydrophobicContact CB-CB 4.01Å; K201-A203 HydrophobicContact CD-CB 4.01Å | ||
| 204 | V | 32.7 | Very low | 29.5 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | cis | -170.3 | 178.5 | 0.8 | -107.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 205 | P | 40.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -125.3 | -141.6 | -19 | 36 | -14.2 | 0 | 0 | 0 | 109.3 | ||||
| 206 | F | 25.2 | Very low | 29.4 | Very low | 188 Ų | 188 | 117.7 Ų | 117.7 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | cis | -151.2 | 140 | -17.3 | -130.7 | -45.9 | 0 | 0 | 0 | 108.9 | ||||
| 207 | T | 25.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 111.7 Ų | 111.7 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | trans | -148.6 | 177.8 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 208 | P | 42.6 | Very low | 29.5 | Very low | 117 Ų | 117 | 112.7 Ų | 112.7 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | -120.2 | -110.2 | -94.1 | 24.8 | 1 | 0 | 0 | 0 | 116.4 | |||||
| 209 | P | 43.1 | Very low | 29.6 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | -123.4 | 178.1 | -129.5 | 38.8 | -19.8 | 0 | 0 | 0 | 116.5 | |||||
| 210 | G | 24.2 | Very low | 29.8 | Very low | 76 Ų | 76 | 111.8 Ų | 111.8 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | -136.4 | 149 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 211 | A | 26.7 | Very low | 29.8 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 91% | 0.909 | 69% | 0.693 | S | S | * | * | trans | -68.6 | 168.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 212 | G | 26 | Very low | 29.5 | Very low | 67 Ų | 67 | 110.4 Ų | 110.4 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | cis | 126.2 | 124.5 | -2.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 213 | R | 24.4 | Very low | 29.5 | Very low | 160 Ų | 160 | 109.4 Ų | 109.4 | 60% | 0.604 | 68% | 0.682 | S | S | * | * | trans | 170.6 | 136.8 | 163.4 | -105.1 | 160.7 | 144.7 | 178.6 | -10 | 110 | T175 P176 | T175-R213 VanDerWaalsContact C-NH2 3.27Å; T175-R213 VanDerWaalsContact CA-NH2 3.31Å; T175-R213 VanDerWaalsContact CB-NH2 3.32Å; P176-R213 PolarHBondContact O-NH1 3.29Å; P176-R213 VanDerWaalsContact O-NH1 3.17Å; P176-R213 PolarHBondContact O-NH2 2.68Å | ||
| 214 | P | 28.6 | Very low | 29.4 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 59% | 0.591 | 70% | 0.7 | S | S | * | * | -135.7 | -148.9 | 116.5 | 39.4 | -28.8 | 0 | 0 | 0 | 111.9 | Q151 | Q151-P214 HydrophobicContact CG-CG 3.93Å; Q151-P214 VanDerWaalsContact OE1-CG 3.22Å | |||
| 215 | A | 24.7 | Very low | 29.5 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -127.3 | 159.2 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 216 | V | 24.5 | Very low | 29.3 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -88.9 | 134.7 | 164 | 177.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 217 | A | 29.6 | Very low | 29.7 | Very low | 53 Ų | 53 | 113.8 Ų | 113.8 | 44% | 0.438 | 68% | 0.683 | S | S | . | * | cis | 98.6 | 105.8 | 11.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 218 | H | 29.6 | Very low | 30.4 | Very low | 150 Ų | 150 | 109 Ų | 109 | 69% | 0.694 | 65% | 0.654 | S | S | * | * | trans | 55.6 | -152.4 | 155.6 | -62.6 | -118.3 | 0 | 0 | 0 | 114.7 | K153 | K153-H218 PolarHBondContact NZ-CD2 3.34Å; K153-H218 PolarHBondContact NZ-CE1 2.96Å; K153-H218 VanDerWaalsContact NZ-CE1 3.3Å; K153-H218 PolarHBondContact NZ-NE2 3.31Å | ||
| 219 | Q | 31.1 | Very low | 30.4 | Very low | 90 Ų | 90 | 108 Ų | 108 | 42% | 0.421 | 64% | 0.64 | S | S | . | * | cis | -154.8 | 172.8 | -9.5 | -140.7 | 137.1 | -107.3 | 0 | 0 | 107.4 | E157 | E157-Q219 VanDerWaalsContact OE1-CB 3.28Å; E157-Q219 WeakPolarHBondContact OE1-CB 3.43Å; E157-Q219 WeakPolarHBondContact OE1-CG 3.31Å; E157-Q219 PolarHBondContact OE1-NE2 2.7Å | ||
| 220 | V | 30.8 | Very low | 30 | Very low | 91 Ų | 91 | 105.2 Ų | 105.2 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | cis | -115 | -118.7 | -1.3 | -156.5 | 0 | 0 | 0 | 0 | 108.4 | E157 | E157-V220 WeakPolarHBondContact OE2-CG2 3.44Š| ||
| 221 | K | 25.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 109 Ų | 109 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | cis | -150.7 | 165.8 | -18.4 | -136 | 137.5 | -167.2 | 168 | 0 | 106.1 | V223 | K221-V223 HydrophobicContact CG-CG2 4.06Š| ||
| 222 | A | 23.8 | Very low | 30.9 | Very low | 85 Ų | 85 | 110.1 Ų | 110.1 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | cis | -132.5 | 136 | 7.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 223 | V | 33 | Very low | 31.6 | Very low | 107 Ų | 107 | 108.6 Ų | 108.6 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | 88.2 | 107.6 | 88.3 | 174 | 0 | 0 | 0 | 0 | 112.9 | K221 | K221-V223 HydrophobicContact CG-CG2 4.06Š| |||
| 224 | E | 25 | Very low | 32.1 | Very low | 194 Ų | 194 | 108.6 Ų | 108.6 | 91% | 0.907 | 60% | 0.6 | S | S | * | * | trans | -156.6 | 120 | 156.5 | -102.3 | 175.3 | 179.1 | 0 | 0 | 105.1 | ||||
| 225 | D | 34.7 | Very low | 32.5 | Very low | 150 Ų | 150 | 107.9 Ų | 107.9 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -104.2 | 92.1 | -172.7 | -80.7 | -61 | 0 | 0 | 0 | 111.6 | ||||
| 226 | L | 37 | Very low | 33.2 | Very low | 87 Ų | 87 | 107 Ų | 107 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | trans | -166.6 | 81.9 | 171.2 | -117.8 | 146.9 | 0 | 0 | 0 | 113.1 | Q53 W55 | Q53-L226 HydrophobicContact CG-CD1 3.88Å; Q53-L226 HydrophobicContact CG-CD2 3.99Å; Q53-L226 VanDerWaalsContact NE2-CD1 3.3Å; W55-L226 HydrophobicContact CH2-CD2 4.04Å; W55-L226 HydrophobicContact CH2-CG 4.44Å | ||
| 227 | E | 34.1 | Very low | 33.7 | Very low | 146 Ų | 146 | 106.4 Ų | 106.4 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | trans | -124.6 | 120.1 | 167.8 | -71.5 | -165.3 | 150.4 | 0 | 0 | 112.5 | M229 | E227-M229 HydrophobicContact CB-CE 3.81Š| ||
| 228 | V | 39.3 | Very low | 33.8 | Very low | 26 Ų | 26 | 111.9 Ų | 111.9 | 16% | 0.158 | 59% | 0.594 | C | S | . | * | trans | -97.3 | 122.6 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | N47 F50 R51 D230 | N47-V228 HydrophobicContact CB-CG1 4.24Å; F50-V228 HydrophobicContact CB-CG2 4.49Å; F50-V228 HydrophobicContact CD1-CB 3.86Å; F50-V228 HydrophobicContact CD1-CG1 3.61Å; F50-V228 HydrophobicContact CD1-CG2 3.25Å; F50-V228 HydrophobicContact CE1-CB 4.25Å; F50-V228 HydrophobicContact CE1-CG1 4.32Å; F50-V228 HydrophobicContact CE1-CG2 3.65Å; F50-V228 HydrophobicContact CG-CG2 4.16Å; R51-V228 HydrophobicContact CB-CG2 4.19Å; R51-V228 HydrophobicContact CG-CB 3.46Å; R51-V228 VanDerWaalsContact CG-CB 3.46Å; R51-V228 HydrophobicContact CG-CG1 3.84Å; R51-V228 HydrophobicContact CG-CG2 3.38Å; V228-D230 PolarHBondContact O-N 3.28Å; V228-D230 VanDerWaalsContact O-N 3.08Å | ||
| 229 | M | 43.3 | Very low | 33.8 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 47% | 0.468 | 59% | 0.592 | S | S | . | * | trans | -88.1 | 76.6 | -173.6 | -56.7 | -60.5 | 172.7 | 0 | 0 | 111.4 | E227 | E227-M229 HydrophobicContact CB-CE 3.81Š| ||
| 230 | D | 34.6 | Very low | 33.5 | Very low | 64 Ų | 64 | 112.8 Ų | 112.8 | 34% | 0.342 | 61% | 0.606 | S | S | . | * | trans | -79.2 | 112.7 | 156.8 | -88.8 | 20.2 | 0 | 0 | 0 | 109 | N47 R51 V228 | N47-D230 WeakPolarHBondContact CB-OD1 3.3Å; N47-D230 PolarHBondContact ND2-OD1 2.77Å; R51-D230 IonicContact CZ-OD1 3.59Å; R51-D230 IonicContact CZ-OD2 3.68Å; R51-D230 IonicContact NH1-OD1 3.63Å; R51-D230 PolarHBondContact NH1-OD1 3.24Å; R51-D230 IonicContact NH1-OD2 2.67Å; R51-D230 PolarHBondContact NH1-OD2 3.45Å; R51-D230 IonicContact NH2-OD1 2.86Å; R51-D230 IonicContact NH2-OD2 2.71Å; R51-D230 PolarHBondContact NH2-OD2 3.24Å; V228-D230 PolarHBondContact O-N 3.28Å; V228-D230 VanDerWaalsContact O-N 3.08Å | ||
| 231 | D | 33.2 | Very low | 33.5 | Very low | 156 Ų | 156 | 114.3 Ų | 114.3 | 83% | 0.834 | 62% | 0.618 | S | S | * | * | trans | 166.7 | 92.3 | 144.7 | -95.9 | -17.5 | 0 | 0 | 0 | 109.8 | ||||
| 232 | D | 36.9 | Very low | 33.6 | Very low | 133 Ų | 133 | 113.6 Ų | 113.6 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | trans | -168.8 | 10.4 | 156.5 | -110 | -23.3 | 0 | 0 | 0 | 115.8 | ||||
| 233 | L | 40.8 | Very low | 33.7 | Very low | 36 Ų | 36 | 112.9 Ų | 112.9 | 19% | 0.188 | 63% | 0.628 | C | S | . | * | G | 310 helix | trans | -83.7 | -27.7 | -169.7 | -164.9 | 54.9 | 0 | 0 | 0 | 114.9 | C40 L43 E44 L83 S235 | C40-L233 HydrophobicContact CB-CD1 4.47Å; C40-L233 HydrophobicContact CB-CD2 3.75Å; C40-L233 HydrophobicContact CB-CG 4.3Å; L43-L233 HydrophobicContact CD2-CD1 4.21Å; L43-L233 HydrophobicContact CD2-CD2 4.17Å; E44-L233 HydrophobicContact CG-CD2 3.99Å; L83-L233 HydrophobicContact CD1-CD1 3.8Å; L83-L233 HydrophobicContact CD2-CD1 4.46Å; L233-S235 PolarHBondContact O-N 3.25Å |
| 234 | D | 33.6 | Very low | 33.4 | Very low | 160 Ų | 160 | 117 Ų | 117 | 86% | 0.856 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -74.2 | 6.8 | -169.4 | -131.8 | 24.4 | 0 | 0 | 0 | 114.2 | ||
| 235 | S | 38.1 | Very low | 33.4 | Very low | 76 Ų | 76 | 114.1 Ų | 114.1 | 53% | 0.531 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -115.9 | 2.8 | -170.3 | -163.7 | 0 | 0 | 0 | 0 | 115.3 | L233 | L233-S235 PolarHBondContact O-N 3.25Š|
| 236 | L | 39.3 | Very low | 33.1 | Very low | 68 Ų | 68 | 112.6 Ų | 112.6 | 36% | 0.356 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -106.4 | -6.6 | -168 | -64.9 | 172.8 | 0 | 0 | 0 | 115.7 | P80 A82 | P80-L236 HydrophobicContact CB-CD1 4.17Å; A82-L236 HydrophobicContact CB-CD1 3.99Å; A82-L236 HydrophobicContact CB-CD2 4.31Å |
| 237 | L | 34.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 57% | 0.571 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -100.8 | -0.7 | -175.1 | -67.8 | 173.7 | 0 | 0 | 0 | 115.2 | T36 S239 | T36-L237 HydrophobicContact CG2-CD2 3.96Å; L237-S239 PolarHBondContact O-N 2.57Å |
| 238 | D | 32 | Very low | 32.2 | Very low | 167 Ų | 167 | 115.5 Ų | 115.5 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -97.4 | 26.7 | -170.8 | -115.5 | 6.7 | 0 | 0 | 0 | 113 | ||
| 239 | S | 29.2 | Very low | 31.6 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | trans | -134.3 | 50 | -164.2 | -69 | 0 | 0 | 0 | 0 | 117.3 | L237 | L237-S239 PolarHBondContact O-N 2.57Š| ||
| 240 | F | 25.5 | Very low | 30.8 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | trans | -130.1 | 127.2 | 160 | -76.3 | -70 | 0 | 0 | 0 | 112.1 | ||||
| 241 | P | 30 | Very low | 31 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 119.2 | -178.6 | 32.9 | -32.1 | 0 | 0 | 0 | 112.5 | G243 | P241-G243 PolarHBondContact O-N 3.48Š|
| 242 | T | 27.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 124 Ų | 124 | 89% | 0.89 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123 | 167.1 | -40.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 243 | G | 25.9 | Very low | 30.2 | Very low | 70 Ų | 70 | 123.3 Ų | 123.3 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 159.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P241 | P241-G243 PolarHBondContact O-N 3.48Š|
| 244 | Q | 27.9 | Very low | 29.4 | Very low | 194 Ų | 194 | 128.1 Ų | 128.1 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | trans | -134.1 | 150.1 | 167.5 | -76.8 | -164.3 | -39.5 | 0 | 0 | 111.8 | ||||
| 245 | V | 23.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | -87.5 | 137.2 | -174 | 179.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 246 | P | 28.9 | Very low | 29.4 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -93.5 | 146.9 | 169.4 | 35.7 | -31.8 | 0 | 0 | 0 | 112.5 | ||||
| 247 | S | 25 | Very low | 29 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -141.9 | 127.1 | 169.1 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 248 | E | 27.4 | Very low | 28.7 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | 54.9 | 140.1 | 145.7 | -60.8 | -174.9 | 156.7 | 0 | 0 | 121.3 | ||||
| 249 | A | 26.3 | Very low | 28.5 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 63% | 0.628 | 76% | 0.759 | S | S | * | * | cis | -169.3 | 144.1 | -10.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 250 | L | 26.1 | Very low | 28.5 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | 66.4 | 168.2 | 141.4 | -70.2 | 173.9 | 0 | 0 | 0 | 121.1 | ||||
| 251 | P | 40.1 | Very low | 28.5 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | cis | -135.4 | 163.5 | -5.7 | 17 | 8.6 | 0 | 0 | 0 | 119.1 | ||||
| 252 | F | 25.4 | Very low | 28.3 | Very low | 192 Ų | 192 | 125.2 Ų | 125.2 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | 62.4 | 150.5 | 148.7 | -65.9 | -52.7 | 0 | 0 | 0 | 121.2 | ||||
| 253 | S | 26.3 | Very low | 29.3 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | -134.9 | 163.1 | 14.4 | -59.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 254 | D | 24.5 | Very low | 29.3 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -142.9 | 167.3 | 174.2 | -176.4 | 51.3 | 0 | 0 | 0 | 109.4 | G256 | D254-G256 PolarHBondContact OD2-N 2.84Š| ||
| 255 | P | 43.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | -151.8 | 126.3 | 111.9 | 34.8 | -15.3 | 0 | 0 | 0 | 118.9 | |||||
| 256 | G | 28 | Very low | 30.2 | Very low | 50 Ų | 50 | 127 Ų | 127 | 52% | 0.515 | 76% | 0.761 | S | S | . | * | trans | 97.3 | 166.8 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | D254 | D254-G256 PolarHBondContact OD2-N 2.84Š| ||
| 257 | H | 30.7 | Very low | 30.1 | Very low | 177 Ų | 177 | 126 Ų | 126 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | cis | -152.4 | 135.8 | -2 | -90.5 | -64.8 | 0 | 0 | 0 | 108.7 | ||||
| 258 | A | 28.2 | Very low | 30.9 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | 68.8 | 127.1 | 80.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 259 | A | 29.6 | Very low | 31.3 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | cis | -159.4 | -175.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 260 | T | 27.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | cis | -156.4 | -164.6 | 10.8 | -22.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 261 | S | 26.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | cis | -164.7 | 176.2 | 0.9 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 262 | T | 26.2 | Very low | 32 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -146 | -169.6 | 178 | 59.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 263 | P | 46.8 | Very low | 32.4 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | cis | -138.3 | -177.6 | -4.3 | 43.6 | -26.2 | 0 | 0 | 0 | 115.9 | ||||
| 264 | F | 26.1 | Very low | 33 | Very low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | -179.8 | -178.9 | 125.5 | -109.4 | -78.7 | 0 | 0 | 0 | 113.1 | |||||
| 265 | L | 29.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | -109.9 | 164.7 | -159.5 | -71.3 | 169.2 | 0 | 0 | 0 | 116.3 | ||||
| 266 | P | 41.6 | Very low | 32.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -116.6 | 168.5 | -172.2 | 42.9 | -33.9 | 0 | 0 | 0 | 117 | ||||
| 267 | A | 27.4 | Very low | 32.6 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -174.4 | 169.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 268 | P | 40.5 | Very low | 32.5 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | cis | -130.2 | -174.6 | -39.8 | 39.1 | -22.6 | 0 | 0 | 0 | 113.3 | ||||
| 269 | S | 36.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -91.8 | 162.5 | -177.7 | -32.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 270 | P | 42.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -113.4 | -176.4 | 155.5 | 36.9 | -25.9 | 0 | 0 | 0 | 113.7 | ||||
| 271 | Q | 30.9 | Very low | 32.4 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -122.4 | 170.7 | -156.8 | -63.3 | 175.3 | -21.4 | 0 | 0 | 116.2 | ||||
| 272 | L | 34.7 | Very low | 32.5 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -98 | 154.9 | 173.5 | -71.9 | 167.6 | 0 | 0 | 0 | 113.6 | ||||
| 273 | P | 32.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -120.6 | 170.5 | 151.1 | 34.8 | -21 | 0 | 0 | 0 | 113.3 | ||||
| 274 | P | 39.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -122.9 | 170.3 | -147.1 | 42.7 | -33.2 | 0 | 0 | 0 | 118.2 | ||||
| 275 | A | 28.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -137.2 | 139.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 276 | F | 29.2 | Very low | 31.4 | Very low | 201 Ų | 201 | 135.4 Ų | 135.4 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | cis | 78.6 | 111.7 | 42.5 | -92 | -80.8 | 0 | 0 | 0 | 115.9 | ||||
| 277 | F | 29.5 | Very low | 30.6 | Very low | 202 Ų | 202 | 136.5 Ų | 136.5 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | -87.6 | 151 | 174 | -70 | -98.3 | 0 | 0 | 0 | 112.2 | ||||
| 278 | S | 27.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -159.2 | 138.3 | 142 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 279 | S | 28.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -86.9 | 169 | 172.7 | 35.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 280 | S | 28.1 | Very low | 29.3 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -160.2 | 148.2 | 164.4 | -85.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 281 | I | 26.8 | Very low | 28.8 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -123.3 | 122.3 | 168.1 | -79.7 | 175.4 | 0 | 0 | 0 | 107.7 | ||||
| 282 | S | 29.4 | Very low | 28.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | trans | 41.4 | 125.1 | 161.3 | 70 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 283 | Q | 28.5 | Very low | 28.6 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 178.3 | 137.7 | 91.8 | -92 | -167.3 | 8.6 | 0 | 0 | 114.9 | |||||
| 284 | L | 26 | Very low | 28.6 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 60.9 | 117.5 | 142.8 | -61.7 | 172.3 | 0 | 0 | 0 | 123.7 | ||||
| 285 | N | 25.9 | Very low | 28.3 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 85.3 | 142.5 | 131 | -67.6 | -4.9 | 0 | 0 | 0 | 123.8 | ||||
| 286 | S | 24.1 | Very low | 28.4 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 89.2 | 105.8 | 161.5 | -159 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 287 | L | 24.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 21.8 | 141.9 | 112 | -56.1 | 172.6 | 0 | 0 | 0 | 117.7 | |||||
| 288 | D | 26.2 | Very low | 28.9 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | cis | -165.8 | 173.2 | 17.3 | -138.9 | -33.4 | 0 | 0 | 0 | 114.1 | ||||
| 289 | L | 25.6 | Very low | 29.2 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | 65.6 | 151.4 | 156.8 | -60.7 | 149.7 | 0 | 0 | 0 | 121 | ||||
| 290 | F | 25.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | cis | -173.6 | 168.9 | -39.7 | -132.5 | -84.8 | 0 | 0 | 0 | 109.9 | ||||
| 291 | T | 32.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | trans | 71.3 | 152.7 | 168.7 | 70.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 292 | N | 31.4 | Very low | 29.8 | Very low | 143 Ų | 143 | 123.4 Ų | 123.4 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | cis | -166.3 | 164 | -25.8 | -99.8 | 8.1 | 0 | 0 | 0 | 106.1 | ||||
| 293 | G | 30.8 | Very low | 29.9 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | cis | -147.8 | -118.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 294 | D | 32.3 | Very low | 30 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | cis | 175.7 | 141.7 | -26.2 | -112.7 | -56 | 0 | 0 | 0 | 107.2 | ||||
| 295 | H | 33 | Very low | 30.1 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 80% | 0.801 | 74% | 0.735 | S | S | * | * | cis | -106.1 | -137.6 | -8.4 | -49.1 | -53.7 | 0 | 0 | 0 | 109.5 | ||||
| 296 | G | 31.2 | Very low | 30.2 | Very low | 67 Ų | 67 | 122.5 Ų | 122.5 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | cis | 103.4 | 141.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 297 | T | 35.5 | Very low | 30.5 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | cis | -156.8 | 169.7 | 2.3 | 49 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 298 | T | 33.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | cis | -150.3 | 135.3 | 32.4 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 299 | A | 32.9 | Very low | 30.5 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | 66.6 | 140.9 | 98.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 300 | A | 31.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | cis | -156.6 | 177.4 | 5.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 301 | A | 34.2 | Very low | 30.6 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -165.1 | 148.4 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 302 | L | 31.4 | Very low | 30.1 | Very low | 150 Ų | 150 | 119.7 Ų | 119.7 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | 60.8 | 151 | 138.6 | -54.8 | 174.7 | 0 | 0 | 0 | 118.8 | ||||
| 303 | D | 31.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | cis | -169.5 | 172.9 | 5.5 | -120.1 | -6.2 | 0 | 0 | 0 | 108.8 | ||||
| 304 | I | 30.2 | Very low | 29.6 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | cis | -159.5 | 151.9 | 0.1 | -140 | 168.6 | 0 | 0 | 0 | 109.9 | ||||
| 305 | L | 27.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 120.5 Ų | 120.5 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | trans | 53.7 | 164.5 | 161.6 | -60.7 | 168.9 | 0 | 0 | 0 | 121.1 | ||||
| 306 | D | 29.3 | Very low | 28.7 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | cis | 138.8 | 147.9 | -23.8 | -167.5 | 31.5 | 0 | 0 | 0 | 114 | ||||
| 307 | D | 29.4 | Very low | 28.4 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | trans | 64.5 | 135.9 | 156.9 | -106 | -2.7 | 0 | 0 | 0 | 127 | ||||
| 308 | L | 26.1 | Very low | 27.7 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | 68.4 | 116.5 | 140.7 | -64.9 | 171.7 | 0 | 0 | 0 | 126.6 | ||||
| 309 | Y | 25.5 | Very low | 27.2 | Very low | 199 Ų | 199 | 120.9 Ų | 120.9 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | 65.8 | 132.1 | 123.2 | -90.7 | -119.5 | 0 | 0 | 0 | 125.1 | |||||
| 310 | T | 25.4 | Very low | 26.8 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | 62.1 | 106.5 | 144.8 | 49.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 311 | A | 27.2 | Very low | 26.5 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | -153 | 146.5 | 107.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 312 | G | 23.2 | Very low | 26.1 | Very low | 60 Ų | 60 | 126.2 Ų | 126.2 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | cis | 120.1 | 110.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 313 | N | 27 | Very low | 25.8 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 95% | 0.952 | 74% | 0.74 | S | S | * | * | trans | 88.2 | 138.2 | -170.1 | -51.7 | -18.9 | 0 | 0 | 0 | 113.8 | ||||
| 314 | G | 24.5 | Very low | 25.6 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | cis | -158.2 | 163.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 315 | S | 23 | Very low | 25.5 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | 54.2 | 122.3 | 51.3 | -57 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 316 | E | 23.4 | Very low | 25.4 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | cis | -152.9 | 149 | 7.3 | -106.5 | 158.5 | 164.7 | 0 | 0 | 108.8 | ||||
| 317 | A | 23.4 | Very low | 25.3 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | 60.3 | 134.7 | 104.6 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 318 | D | 21.8 | Very low | 25.3 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | trans | 61.2 | 159.6 | 156 | -63.7 | -12.3 | 0 | 0 | 0 | 120 | ||||
| 319 | A | 23.1 | Very low | 25.3 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | cis | -163.2 | 160.7 | -31.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 320 | S | 23.9 | Very low | 25.5 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 34 | 111 | 151.8 | 61.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 321 | T | 26.6 | Very low | 25.8 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | -177.3 | 132.1 | 113 | 32.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 322 | L | 24.4 | Very low | 26 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | cis | 86.6 | 135.5 | 49 | -148.9 | 166.7 | 0 | 0 | 0 | 111.7 | ||||
| 323 | D | 26.6 | Very low | 26.4 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 82.4 | 141.8 | -170 | -60.7 | -19.5 | 0 | 0 | 0 | 116 | ||||
| 324 | N | 26.6 | Very low | 26.6 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | cis | -163.2 | 158.7 | -24.1 | -103.3 | -35.6 | 0 | 0 | 0 | 110.4 | ||||
| 325 | L | 27.6 | Very low | 26.9 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 19.5 | 142.4 | 138 | -53.2 | 175.4 | 0 | 0 | 0 | 119.7 | ||||
| 326 | D | 26.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | cis | -149.5 | 173.4 | 16.5 | -94.8 | -44.4 | 0 | 0 | 0 | 110 | ||||
| 327 | G | 26.9 | Very low | 27.7 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | cis | -169 | -167.3 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 328 | L | 28.5 | Very low | 27.9 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -85 | -176.2 | -168.3 | -54.9 | 171 | 0 | 0 | 0 | 112.5 | ||||
| 329 | D | 25.8 | Very low | 28.3 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -176 | 176.1 | 43 | -115.9 | -25.6 | 0 | 0 | 0 | 108.2 | ||||
| 330 | S | 29.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | -164.2 | -176.1 | -25.2 | -126.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 331 | L | 33.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -92.4 | 149.6 | -178.1 | -74.6 | 168.2 | 0 | 0 | 0 | 115.6 | ||||
| 332 | D | 30.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | 52.7 | 100.9 | 148.2 | -61.5 | -31.5 | 0 | 0 | 0 | 123.3 | ||||
| 333 | I | 32.3 | Very low | 29.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 65.6 | 108.1 | 119 | -62.3 | 163.9 | 0 | 0 | 0 | 120.1 | |||||
| 334 | L | 31.2 | Very low | 29.7 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | trans | 55.2 | 139.2 | 143.3 | -56 | 173.9 | 0 | 0 | 0 | 119.2 | ||||
| 335 | D | 29.4 | Very low | 29.7 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | cis | -149.4 | -168.2 | 43.8 | -129.8 | -19.3 | 0 | 0 | 0 | 113.7 | ||||
| 336 | D | 32.5 | Very low | 29.8 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -103.5 | 177.4 | -156.7 | -152.1 | -14.3 | 0 | 0 | 0 | 116.9 | ||||
| 337 | I | 30.4 | Very low | 30 | Very low | 136 Ų | 136 | 129 Ų | 129 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | trans | 96.8 | 113 | 153.2 | -68.6 | 166 | 0 | 0 | 0 | 122.3 | ||||
| 338 | L | 28.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | 77.5 | 142.2 | 144.8 | -79.1 | 172.7 | 0 | 0 | 0 | 125.5 | ||||
| 339 | H | 29.6 | Very low | 30.1 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -73 | 154 | 153.3 | -56 | -90.6 | 0 | 0 | 0 | 110.1 | ||||
| 340 | L | 26.5 | Very low | 30.9 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -147.8 | 144.3 | 31.6 | -74.5 | 160.2 | 0 | 0 | 0 | 112.5 | ||||
| 341 | T | 27.6 | Very low | 30.9 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 10.9 | 160.1 | 144.5 | 64.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 342 | P | 50.7 | Low | 30.6 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | cis | -143.8 | 168.8 | -44.6 | 41.1 | -24.3 | 0 | 0 | 0 | 114.9 | ||||
| 343 | N | 23.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 160.3 | 131.2 | 126.1 | -88.1 | -26.9 | 0 | 0 | 0 | 118.2 | |||||
| 344 | A | 26.7 | Very low | 30.6 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | 63.5 | 120.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 345 | A | 26.5 | Very low | 30.4 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 72.7 | 148.3 | 135 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 346 | A | 28.9 | Very low | 30.2 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | cis | -172.6 | 157.5 | -21.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 347 | A | 32 | Very low | 29.8 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | 64.1 | 151.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 348 | E | 27.5 | Very low | 29.6 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | cis | -170 | 157.2 | -23.5 | -125.1 | -174.8 | -169.6 | 0 | 0 | 113.2 | ||||
| 349 | E | 28.8 | Very low | 29.5 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | trans | 60.5 | 170.7 | 142.6 | -75.1 | -107.1 | 120.5 | 0 | 0 | 122.6 | K351 | E349-K351 WeakPolarHBondContact OE1-CE 3.42Å; E349-K351 IonicContact OE1-NZ 2.7Å; E349-K351 PolarHBondContact OE1-NZ 3.49Å; E349-K351 IonicContact OE2-NZ 2.63Å; E349-K351 PolarHBondContact OE2-NZ 3.45Å | ||
| 350 | P | 43.4 | Very low | 29.2 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | -153.3 | 178.4 | -53.4 | 47.2 | -30.3 | 0 | 0 | 0 | 119.8 | |||||
| 351 | K | 28.5 | Very low | 29 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 153.5 | 143.6 | -69.3 | 148.8 | -154.5 | 159.4 | 0 | 119.6 | E349 | E349-K351 WeakPolarHBondContact OE1-CE 3.42Å; E349-K351 IonicContact OE1-NZ 2.7Å; E349-K351 PolarHBondContact OE1-NZ 3.49Å; E349-K351 IonicContact OE2-NZ 2.63Å; E349-K351 PolarHBondContact OE2-NZ 3.45Å | ||
| 352 | T | 26.9 | Very low | 28.8 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | cis | -158.1 | 172 | 0.3 | 2 | 0 | 0 | 0 | 0 | 113 | ||||
| 353 | K | 28 | Very low | 27.7 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -98.1 | -178.1 | 170.3 | -82.3 | -177.3 | 178.9 | 178.2 | 0 | 111.5 | ||||
| 354 | P | 35.8 | Very low | 28 | Very low | 135 Ų | 135 | 141 Ų | 141 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | cis | -144.6 | -163.5 | 18.8 | 45.1 | -23.6 | 0 | 0 | 0 | 117.1 | ||||
| 355 | G | 26.1 | Very low | 27.9 | Very low | 79 Ų | 79 | 146.7 Ų | 146.7 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 154.5 | 152.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 356 | E | 25.7 | Very low | 27.9 | Very low | 209 Ų | 209 | 148 Ų | 148 | 98% | 0.977 | 79% | 0.787 | S | S | * | * | trans | -118 | 167.8 | -179.4 | -60.7 | -178.9 | 98.4 | 0 | 0 | 113.7 | ||||
| 357 | G | 25.4 | Very low | 27.7 | Very low | 74 Ų | 74 | 151.5 Ų | 151.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 127.7 | 80.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 358 | R | 26.1 | Very low | 27.5 | Very low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | 55 | 115.5 | 144.6 | -69.4 | -177.7 | 172 | -175.1 | -0.5 | 123 | ||||
| 359 | K | 24.6 | Very low | 27.5 | Very low | 180 Ų | 180 | 150 Ų | 150 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 80.8 | 132.9 | 130.1 | -67.4 | -171.1 | 175 | -170.2 | 0 | 122.8 | ||||
| 360 | T | 23.6 | Very low | 27.3 | Very low | 127 Ų | 127 | 148 Ų | 148 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 60.7 | 108.2 | 148.1 | 50.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 361 | L | 23.4 | Very low | 26.5 | Very low | 176 Ų | 176 | 149 Ų | 149 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | -163.8 | -177.7 | 116.3 | -133.6 | 107.5 | 0 | 0 | 0 | 112.8 | |||||
| 362 | D | 23 | Very low | 26.5 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -90 | 137 | -167.7 | -89.2 | -68.8 | 0 | 0 | 0 | 117.9 | ||||
| 363 | R | 26.7 | Very low | 26.4 | Very low | 225 Ų | 225 | 143.8 Ų | 143.8 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | trans | 24.4 | 109.9 | 130 | -159.6 | 175.2 | -171.2 | 177.2 | 2.6 | 121.3 | ||||
| 364 | V | 30.8 | Very low | 26.3 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | trans | 61.4 | 128 | 138.9 | -179.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 365 | W | 24.7 | Very low | 25.9 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -142.7 | 164 | 157 | -114.8 | 74.2 | 0 | 0 | 0 | 112.3 | ||||
| 366 | N | 26.3 | Very low | 25.8 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | trans | 111.3 | 121.6 | 179.7 | -68.9 | 11.4 | 0 | 0 | 0 | 112.7 | ||||
| 367 | E | 24.4 | Very low | 25.8 | Very low | 161 Ų | 161 | 137 Ų | 137 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -140.1 | 128.1 | 7.3 | -106.8 | 156.2 | -164.8 | 0 | 0 | 109.8 | ||||
| 368 | V | 27.6 | Very low | 25.7 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | 75.8 | 122.8 | 96.3 | 166.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 369 | V | 27.7 | Very low | 26.5 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | -160.6 | 164.3 | 7.2 | 99.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 370 | A | 25.7 | Very low | 26.6 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 60.5 | 122.7 | 167 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 371 | A | 26.2 | Very low | 26.7 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | 84.9 | 133.1 | 53.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 372 | G | 27 | Very low | 26.9 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -178.9 | 172.2 | -4.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 373 | S | 26.1 | Very low | 27 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 45.5 | 109.2 | 159.8 | 61.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 374 | V | 26.3 | Very low | 27 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | 56.8 | 129.9 | 117.5 | 176.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 375 | A | 27.3 | Very low | 27.5 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 96.1 | 144.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 376 | D | 24 | Very low | 27.7 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 85.6 | 147.3 | 149.9 | -103.8 | -51.3 | 0 | 0 | 0 | 125.5 | ||||
| 377 | A | 24.6 | Very low | 27.7 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 48.9 | 133.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 378 | K | 24.4 | Very low | 27.7 | Very low | 197 Ų | 197 | 124.1 Ų | 124.1 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 177.1 | 150.2 | -103 | 179.5 | -179 | 174.9 | 0 | 112.2 | ||||
| 379 | P | 41.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -139.5 | 177.2 | -14.1 | 29.7 | -7.2 | 0 | 0 | 0 | 115.5 | ||||
| 380 | Q | 26.9 | Very low | 27.8 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | 154.6 | 147.9 | 118.4 | -78.7 | -154.8 | 27.9 | 0 | 0 | 115 | |||||
| 381 | N | 26.8 | Very low | 27.9 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 21.9 | 141.1 | 152.5 | -55.4 | -27.9 | 0 | 0 | 0 | 121.3 | ||||
| 382 | G | 26.6 | Very low | 28 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | cis | -164 | -177.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 383 | H | 25.7 | Very low | 28.2 | Very low | 191 Ų | 191 | 132 Ų | 132 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | cis | -157.8 | 167.2 | 32.8 | -163.7 | -82.7 | 0 | 0 | 0 | 110.1 | ||||
| 384 | V | 26.6 | Very low | 28.2 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -115.8 | 165.9 | -179.8 | -135.5 | 0 | 0 | 0 | 0 | 111 | K386 | V384-K386 HydrophobicContact CG1-CB 4.03Š| ||
| 385 | P | 40.1 | Very low | 28.2 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -135.1 | 150.2 | 70.7 | 24.4 | -2.6 | 0 | 0 | 0 | 113.9 | |||||
| 386 | K | 30.1 | Very low | 28.1 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | cis | 96.5 | 125 | 26.5 | -165.3 | -178.5 | -171.3 | -179.4 | 0 | 114.5 | V384 | V384-K386 HydrophobicContact CG1-CB 4.03Š| ||
| 387 | V | 26.1 | Very low | 28.3 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | 138 | 146.4 | 153.6 | 159.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 388 | A | 25.5 | Very low | 28.6 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -176.1 | 161.8 | -47.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 389 | A | 29.3 | Very low | 28.7 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | cis | -173.3 | 163.5 | -31.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 390 | N | 27.6 | Very low | 28.1 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | 70 | 166.2 | 167.5 | -54.1 | -15.2 | 0 | 0 | 0 | 115.8 | ||||
| 391 | A | 28.2 | Very low | 28.2 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | cis | -144.2 | 178.1 | 12.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 392 | T | 27.8 | Very low | 28.1 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -109.8 | 160 | -175.2 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 393 | K | 29.6 | Very low | 28.3 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | 141.5 | 127.3 | 158.1 | -81.5 | 163.9 | -176.3 | -172.7 | 0 | 108.8 | ||||
| 394 | Q | 27.7 | Very low | 28.5 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | 89.9 | 126.8 | 19.7 | -144.9 | -156.4 | -2.8 | 0 | 0 | 115.9 | ||||
| 395 | L | 26.3 | Very low | 29.1 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | trans | 88.3 | 105.7 | 163.8 | -51.3 | -179 | 0 | 0 | 0 | 121 | ||||
| 396 | D | 25.6 | Very low | 28.5 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 74.5 | 138 | 115.4 | -55.8 | -3 | 0 | 0 | 0 | 125.6 | |||||
| 397 | S | 27.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 75.4 | 146.3 | 136.9 | -172.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 398 | L | 30 | Very low | 28.6 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | cis | -164.3 | 170.4 | -24.6 | -104.1 | 174.8 | 0 | 0 | 0 | 107.3 | ||||
| 399 | D | 27.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 61.9 | 167 | 158.3 | -64.8 | -13.2 | 0 | 0 | 0 | 119.6 | ||||
| 400 | A | 28.7 | Very low | 28.6 | Very low | 81 Ų | 81 | 139.8 Ų | 139.8 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -166.9 | 163.8 | -39.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 401 | L | 28.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | 65.4 | 114 | 157 | -67.1 | 169.1 | 0 | 0 | 0 | 122.9 | ||||
| 402 | D | 25.9 | Very low | 29.5 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | 61.7 | 141.8 | 120.9 | -74.5 | -4.5 | 0 | 0 | 0 | 127.6 | |||||
| 403 | S | 29.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 97.8 | 148.2 | 140.6 | -74.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 404 | F | 30.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -95.1 | 164.9 | -173.8 | -64.9 | -95.7 | 0 | 0 | 0 | 113.7 | ||||
| 405 | P | 39.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | -135.9 | 166.6 | 98 | 17.5 | 4.3 | 0 | 0 | 0 | 113.1 | |||||
| 406 | A | 27.8 | Very low | 30.2 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | 111.8 | 149.8 | 9.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 407 | V | 30.4 | Very low | 30.4 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 79.8 | 144.8 | 172.5 | 177 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 408 | E | 27.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 65% | 0.654 | 78% | 0.782 | S | S | * | * | cis | -132.9 | -93.6 | 8 | -152.3 | -155.6 | 132.8 | 0 | 0 | 117.9 | ||||
| 409 | R | 28.1 | Very low | 30.3 | Very low | 209 Ų | 209 | 129.6 Ų | 129.6 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | trans | -151.9 | 178.8 | -157.3 | -75.8 | 179 | -166.1 | 125.4 | -8 | 112 | ||||
| 410 | V | 26.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | cis | -160.3 | 158.5 | 43.1 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 411 | G | 26.2 | Very low | 30.2 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -131.4 | -157.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 412 | P | 49.7 | Very low | 30.1 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | cis | -137.9 | -163 | -0.4 | 44.5 | -25.9 | 0 | 0 | 0 | 114.1 | ||||
| 413 | A | 26.6 | Very low | 30 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 147.5 | 155.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 414 | L | 30.2 | Very low | 29.9 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -132.5 | 153.6 | 178.2 | -71.8 | 169.7 | 0 | 0 | 0 | 110.4 | ||||
| 415 | P | 41.3 | Very low | 29.7 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | -150.1 | -174.6 | 88.8 | 38.9 | -19.6 | 0 | 0 | 0 | 114.4 | |||||
| 416 | G | 27.7 | Very low | 29 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | cis | 151.1 | 123.5 | -16.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 417 | V | 28.8 | Very low | 29 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | 79.8 | 139.7 | 148.2 | 179.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 418 | S | 27.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 76 | 155 | 158.9 | -79.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 419 | V | 29.2 | Very low | 28.7 | Very low | 136 Ų | 136 | 120.4 Ų | 120.4 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | cis | -171.5 | 144.3 | -38.1 | 122.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 420 | G | 25.9 | Very low | 28.5 | Very low | 78 Ų | 78 | 119.5 Ų | 119.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 73.5 | 160.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 421 | G | 27 | Very low | 28.4 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | 178.9 | 144.3 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 422 | T | 27.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 118.9 Ų | 118.9 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | 45.3 | 132.3 | 154.7 | 56.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 423 | S | 23.7 | Very low | 27.2 | Very low | 103 Ų | 103 | 120 Ų | 120 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 125.2 | 104.2 | 124.6 | -159.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 424 | L | 26.6 | Very low | 27.1 | Very low | 149 Ų | 149 | 119 Ų | 119 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 55.3 | 141.3 | 132.9 | -71 | 169 | 0 | 0 | 0 | 125.7 | ||||
| 425 | D | 26.3 | Very low | 26.8 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | 95.3 | 106.7 | 137.1 | -86.1 | -52.5 | 0 | 0 | 0 | 124.8 | ||||
| 426 | S | 25.9 | Very low | 25.9 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | 62.2 | 113.4 | 119.1 | -65.4 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 427 | L | 26.4 | Very low | 25.6 | Very low | 173 Ų | 173 | 124.2 Ų | 124.2 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | 60.2 | 157.5 | 133 | -48.9 | 177.8 | 0 | 0 | 0 | 118.8 | ||||
| 428 | S | 26.2 | Very low | 25.4 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | cis | -153.6 | 174.4 | 11.8 | 72.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 429 | D | 25.2 | Very low | 25.4 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | trans | 70 | 126.2 | 140.6 | -59.4 | -28.6 | 0 | 0 | 0 | 126 | ||||
| 430 | F | 23.9 | Very low | 25.2 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | 38.9 | 144.1 | 121.9 | -72.9 | -76.8 | 0 | 0 | 0 | 121.9 | |||||
| 431 | S | 25.4 | Very low | 25.1 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | cis | -169.9 | 174.3 | 3 | -165.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 432 | S | 25.3 | Very low | 25 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | 88.2 | 113.1 | 138.5 | -63.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 433 | N | 24.5 | Very low | 24.9 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | 60.2 | 132.3 | 129 | -63.1 | 0.3 | 0 | 0 | 0 | 123.4 | |||||
| 434 | G | 24.7 | Very low | 24.9 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 177.4 | 103.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 435 | F | 23.8 | Very low | 25 | Very low | 202 Ų | 202 | 127.7 Ų | 127.7 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | trans | -53.9 | 165.4 | 165.1 | -72.9 | -90.5 | 0 | 0 | 0 | 113.6 | ||||
| 436 | S | 23 | Very low | 24.8 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -175.6 | 158.5 | 1.3 | 37.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 437 | E | 21.8 | Very low | 24.8 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 54.7 | 151.3 | 145.7 | -73.1 | -167.1 | 115.9 | 0 | 0 | 121.6 | ||||
| 438 | S | 24.4 | Very low | 24.5 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -169.3 | -162.6 | -12.9 | -175.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 439 | V | 26.6 | Very low | 25.1 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | 83.6 | 79 | 161.7 | -160.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 440 | R | 25 | Very low | 25.2 | Very low | 230 Ų | 230 | 130.9 Ų | 130.9 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | 47.2 | 145.8 | 118.6 | -72.6 | -171.9 | 173.1 | -163.9 | -0.7 | 124.3 | |||||
| 441 | S | 25 | Very low | 25.2 | Very low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 83.1 | 133.8 | 152.6 | -56.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 442 | G | 24.4 | Very low | 25.4 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | 161.8 | 139.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 443 | S | 24.9 | Very low | 25.3 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | 66.2 | 150.8 | 170 | -55.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 444 | S | 24.5 | Very low | 25.6 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | cis | -164.8 | 149.9 | -15.5 | -108.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 445 | V | 26.9 | Very low | 25.6 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 54.6 | 108.8 | 145.2 | 176.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 446 | T | 23.6 | Very low | 25.8 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | -169.3 | 153.2 | 78.6 | 4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 447 | K | 24.4 | Very low | 26 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | 56 | 112.1 | 148.2 | -69.3 | 177.3 | 179.2 | 179.8 | 0 | 121.7 | ||||
| 448 | S | 21.3 | Very low | 26.2 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -69.3 | -178.2 | 157.6 | -35.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 449 | P | 39.1 | Very low | 26.4 | Very low | 91 Ų | 91 | 148.2 Ų | 148.2 | 59% | 0.591 | 81% | 0.808 | S | S | * | * | cis | -142.6 | 169.2 | 11.6 | 42.6 | -23 | 0 | 0 | 0 | 119.8 | ||||
| 450 | N | 26.1 | Very low | 26.4 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | 54.7 | 110.5 | 147.7 | -64 | -5 | 0 | 0 | 0 | 121.3 | ||||
| 451 | K | 24.1 | Very low | 26.9 | Very low | 212 Ų | 212 | 142.2 Ų | 142.2 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | -136.2 | 147.2 | 111.5 | -113.8 | 175.8 | -174.5 | 177 | 0 | 111.3 | |||||
| 452 | L | 29.8 | Very low | 27.7 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -75.7 | 139.3 | -172.6 | -177.7 | 71 | 0 | 0 | 0 | 111.3 | ||||
| 453 | N | 22.7 | Very low | 28.8 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -135.6 | 137.7 | 166.5 | -116 | -16.5 | 0 | 0 | 0 | 110.9 | ||||
| 454 | K | 31.8 | Very low | 30.5 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 138.3 | 174.7 | -75 | 177.4 | 174.2 | 176.4 | 0 | 110 | ||||
| 455 | V | 24.5 | Very low | 32.9 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | trans | -122 | 157.6 | 154.6 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 456 | K | 28.9 | Very low | 35.3 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -111.9 | 99.8 | -163.4 | 175.9 | -171.5 | 177.2 | -173.6 | 0 | 109 | ||||
| 457 | D | 27.1 | Very low | 38.2 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 129.3 | 179.5 | -71.7 | -43.2 | 0 | 0 | 0 | 111.8 | ||
| 458 | T | 24.6 | Very low | 40.9 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 81% | 0.81 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 150.2 | 175.7 | -36.5 | 0 | 0 | 0 | 0 | 110.1 | N460 | T458-N460 PolarHBondContact O-N 3.2Š|
| 459 | H | 28.6 | Very low | 43.7 | Very low | 192 Ų | 192 | 122.6 Ų | 122.6 | 89% | 0.889 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 123.1 | -169.6 | -70.5 | -86.2 | 0 | 0 | 0 | 114.7 | ||
| 460 | N | 27.3 | Very low | 45.9 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 78% | 0.781 | 67% | 0.672 | S | S | * | * | trans | -107.8 | 160.4 | 145.2 | -136.4 | -14.2 | 0 | 0 | 0 | 108.1 | T458 T462 | T458-N460 PolarHBondContact O-N 3.2Å; N460-T462 PolarHBondContact O-N 3.31Å | ||
| 461 | G | 34.4 | Very low | 48.8 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 86% | 0.856 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -69.4 | 31.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 462 | T | 42.8 | Very low | 51.8 | Low | 110 Ų | 110 | 106.4 Ų | 106.4 | 68% | 0.675 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 125.8 | 178.1 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | N460 | N460-T462 PolarHBondContact O-N 3.31Š|
| 463 | V | 47.6 | Very low | 54.5 | Low | 84 Ų | 84 | 100.5 Ų | 100.5 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 125.8 | 171.3 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | N465 | V463-N465 PolarHBondContact O-N 2.78Š|
| 464 | P | 61.2 | Low | 57.5 | Low | 103 Ų | 103 | 95.6 Ų | 95.6 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -62 | 136.6 | -179.1 | 25.2 | -34 | 0 | 0 | 0 | 110.3 | P466 | P464-P466 WeakPolarHBondContact O-CD 3.48Å; P464-P466 VanDerWaalsContact O-N 3.11Å |
| 465 | N | 73.2 | Confident | 60 | Low | 35 Ų | 35 | 87.9 Ų | 87.9 | 19% | 0.187 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 117.6 | -179.5 | 166 | 3.9 | 0 | 0 | 0 | 110.1 | V463 L467 S468 F473 L575 L580 | V463-N465 PolarHBondContact O-N 2.78Å; N465-L467 PolarHBondContact O-N 3.19Å; N465-L467 VanDerWaalsContact O-N 3.13Å; N465-L467 PolarHBondContact OD1-N 2.89Å; N465-S468 WeakPolarHBondContact O-CB 3.28Å; N465-S468 PolarHBondContact O-N 2.89Å; N465-S468 PolarHBondContact O-OG 2.86Å; N465-S468 PolarHBondContact OD1-N 2.99Å; N465-F473 VanDerWaalsContact ND2-CE2 3.34Å; N465-F473 WeakPolarHBondContact ND2-CE2 3.1Å; N465-L575 HydrophobicContact CB-CD1 4.15Å; N465-L575 VanDerWaalsContact OD1-CD1 3.31Å; N465-L575 WeakPolarHBondContact OD1-CD1 3.35Å; N465-L580 WeakPolarHBondContact ND2-CD2 3.45Å |
| 466 | P | 78.6 | Confident | 62.9 | Low | 50 Ų | 50 | 81.3 Ų | 81.3 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.9 | -174.1 | 26.5 | -36.1 | 0 | 0 | 0 | 113.7 | P464 E569 R574 | P464-P466 WeakPolarHBondContact O-CD 3.48Å; P464-P466 VanDerWaalsContact O-N 3.11Å; P466-E569 HydrophobicContact CG-CB 4.16Å; P466-E569 HydrophobicContact CG-CG 4.06Å; P466-R574 VanDerWaalsContact CD-O 3.25Å; P466-R574 WeakPolarHBondContact CD-O 3.33Å; P466-R574 HydrophobicContact CG-CB 4.1Å |
| 467 | L | 84.1 | Confident | 65.5 | Low | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.094 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1.2 | 175.8 | -58.5 | -179.4 | 0 | 0 | 0 | 112.8 | N465 S469 T470 H471 F473 D565 V566 E569 L575 | N465-L467 PolarHBondContact O-N 3.19Å; N465-L467 VanDerWaalsContact O-N 3.13Å; N465-L467 PolarHBondContact OD1-N 2.89Å; L467-S469 PolarHBondContact O-N 3.03Å; L467-T470 PolarHBondContact O-N 3.16Å; L467-T470 PolarHBondContact O-OG1 3.38Å; L467-H471 HydrophobicContact CB-CB 4.24Å; L467-H471 WeakPolarHBondContact O-CB 3.07Å; L467-H471 PolarHBondContact O-N 3.26Å; L467-F473 HydrophobicContact CB-CE2 3.98Å; L467-F473 HydrophobicContact CB-CZ 3.88Å; L467-F473 HydrophobicContact CD1-CZ 4.03Å; L467-D565 HydrophobicContact CD1-CB 4.46Å; L467-V566 HydrophobicContact CD1-CG2 3.98Å; L467-E569 HydrophobicContact CD1-CG 4.34Å; L467-E569 HydrophobicContact CD2-CG 4.18Å; L467-E569 HydrophobicContact CG-CG 4.17Å; L467-L575 HydrophobicContact CD1-CD2 3.96Å |
| 468 | S | 81.3 | Confident | 68 | Low | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.8 | -175.5 | 60.5 | 0 | 0 | 0 | 0 | 115 | N465 K511 | N465-S468 WeakPolarHBondContact O-CB 3.28Å; N465-S468 PolarHBondContact O-N 2.89Å; N465-S468 PolarHBondContact O-OG 2.86Å; N465-S468 PolarHBondContact OD1-N 2.99Å; S468-K511 PolarHBondContact O-NZ 2.84Å |
| 469 | S | 80.3 | Confident | 70.6 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 64% | 0.643 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -28.8 | 173.6 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | L467 | L467-S469 PolarHBondContact O-N 3.03Š|
| 470 | T | 84.3 | Confident | 73.1 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -23.3 | -169.8 | 47.3 | 0 | 0 | 0 | 0 | 114.1 | L467 K511 | L467-T470 PolarHBondContact O-N 3.16Å; L467-T470 PolarHBondContact O-OG1 3.38Å; T470-K511 PolarHBondContact O-N 3.33Å |
| 471 | H | 87.5 | Confident | 75.7 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 3% | 0.032 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.4 | -171.5 | -65.8 | 87.8 | 0 | 0 | 0 | 112.4 | L467 F473 R509 R510 K511 L562 D565 | L467-H471 HydrophobicContact CB-CB 4.24Å; L467-H471 WeakPolarHBondContact O-CB 3.07Å; L467-H471 PolarHBondContact O-N 3.26Å; H471-F473 HydrophobicContact CB-CE2 3.71Å; H471-F473 HydrophobicContact CB-CZ 3.8Å; H471-R509 WeakPolarHBondContact CA-O 3.35Å; H471-R510 PolarHBondContact NE2-NE 3.19Å; H471-K511 VanDerWaalsContact O-CE 3.26Å; H471-K511 WeakPolarHBondContact O-CE 3.34Å; H471-L562 VanDerWaalsContact CD2-CD2 3.44Å; H471-L562 WeakPolarHBondContact CD2-CD2 3.2Å; H471-L562 WeakPolarHBondContact NE2-CD2 3.41Å; H471-D565 IonicContact CE1-OD2 2.78Å; H471-D565 IonicContact NE2-OD2 3.58Å; H471-D565 PolarHBondContact NE2-OD2 3.06Å |
| 472 | D | 86.9 | Confident | 77.6 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 146.2 | 163.1 | -81.9 | -23.1 | 0 | 0 | 0 | 109.5 | C508 R509 K511 W518 | D472-C508 WeakPolarHBondContact O-CA 3.44Å; D472-R509 HydrophobicContact CB-CG 3.76Å; D472-R509 PolarHBondContact N-O 2.92Å; D472-R509 PolarHBondContact O-N 2.67Å; D472-R509 VanDerWaalsContact O-N 3.15Å; D472-R509 IonicContact OD2-CZ 3.29Å; D472-R509 VanDerWaalsContact OD2-CZ 3.29Å; D472-R509 IonicContact OD2-NE 2.95Å; D472-R509 PolarHBondContact OD2-NE 3.46Å; D472-R509 IonicContact OD2-NH2 2.75Å; D472-R509 PolarHBondContact OD2-NH2 2.86Å; D472-K511 WeakPolarHBondContact OD1-CE 3.4Å; D472-K511 IonicContact OD1-NZ 3.73Å; D472-W518 HydrophobicContact CB-CH2 3.78Å; D472-W518 HydrophobicContact CB-CZ3 4.1Å |
| 473 | F | 87.4 | Confident | 79 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.6 | 176.4 | -63.5 | -82.8 | 0 | 0 | 0 | 110.1 | N465 L467 H471 L506 L507 C508 V566 L580 | N465-F473 VanDerWaalsContact ND2-CE2 3.34Å; N465-F473 WeakPolarHBondContact ND2-CE2 3.1Å; L467-F473 HydrophobicContact CB-CE2 3.98Å; L467-F473 HydrophobicContact CB-CZ 3.88Å; L467-F473 HydrophobicContact CD1-CZ 4.03Å; H471-F473 HydrophobicContact CB-CE2 3.71Å; H471-F473 HydrophobicContact CB-CZ 3.8Å; F473-L506 HydrophobicContact CB-CD1 4.42Å; F473-L506 HydrophobicContact CD1-CD1 4.15Å; F473-L506 HydrophobicContact CD1-CD2 4.42Å; F473-L506 HydrophobicContact CD1-CG 4.48Å; F473-L507 WeakPolarHBondContact CA-O 3.5Å; F473-C508 HydrophobicContact CD1-CB 4.16Å; F473-C508 HydrophobicContact CE1-CB 4.15Å; F473-C508 VanDerWaalsContact CE1-SG 3.52Å; F473-V566 HydrophobicContact CE1-CG2 3.72Å; F473-V566 HydrophobicContact CZ-CG2 4.18Å; F473-L580 HydrophobicContact CB-CD2 4.44Å; F473-L580 HydrophobicContact CD1-CD1 3.85Å; F473-L580 HydrophobicContact CD2-CD2 4.15Å; F473-L580 HydrophobicContact CE1-CD1 3.96Å; F473-L580 HydrophobicContact CG-CD1 4.23Å; F473-L580 HydrophobicContact CG-CD2 4.12Å; F473-L580 HydrophobicContact CZ-CD1 4.47Å |
| 474 | L | 85.3 | Confident | 79.6 | Confident | 52 Ų | 52 | 50 Ų | 50 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 122.3 | 177.8 | -177.2 | 69.2 | 0 | 0 | 0 | 110.9 | H493 L507 W518 | L474-H493 WeakPolarHBondContact CD2-NE2 3.31Å; L474-L507 HydrophobicContact CB-CB 4.34Å; L474-L507 HydrophobicContact CD2-CD1 4.48Å; L474-L507 PolarHBondContact N-O 3.02Å; L474-L507 WeakPolarHBondContact O-CB 3.49Å; L474-L507 PolarHBondContact O-N 3.15Å; L474-W518 HydrophobicContact CB-CD2 4.38Å; L474-W518 HydrophobicContact CB-CE3 3.94Å; L474-W518 HydrophobicContact CB-CH2 3.57Å; L474-W518 HydrophobicContact CB-CZ2 4.06Å; L474-W518 HydrophobicContact CB-CZ3 3.51Å; L474-W518 HydrophobicContact CD2-CD2 4.17Å; L474-W518 HydrophobicContact CD2-CH2 4.37Å; L474-W518 HydrophobicContact CD2-CZ2 4Å |
| 475 | P | 84.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 26% | 0.26 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.1 | 169.3 | 25.7 | -31.9 | 0 | 0 | 0 | 111.9 | R503 L581 | P475-R503 HydrophobicContact CB-CB 3.89Å; P475-R503 HydrophobicContact CB-CG 4.01Å; P475-L581 HydrophobicContact CB-CD2 4.31Å; P475-L581 WeakPolarHBondContact CB-O 3.43Å |
| 476 | A | 84.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | C480 F481 R503 D504 V505 L507 | A476-C480 HydrophobicContact CB-CB 3.94Å; A476-F481 HydrophobicContact CB-CB 4.33Å; A476-R503 CarbonylContact O-C 3.48Å; A476-R503 VanDerWaalsContact O-C 3.3Å; A476-R503 WeakPolarHBondContact O-CA 3.34Å; A476-D504 PolarHBondContact O-N 3.08Å; A476-V505 HydrophobicContact CB-CB 4.2Å; A476-V505 HydrophobicContact CB-CG1 4.48Å; A476-V505 PolarHBondContact N-O 3.37Å; A476-V505 PolarHBondContact O-N 2.91Å; A476-L507 HydrophobicContact CB-CD1 3.6Å; A476-L507 HydrophobicContact CB-CD2 4.43Å; A476-L507 HydrophobicContact CB-CG 3.76Å |
| 477 | C | 83.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | trans | -133.9 | 177.4 | 160.5 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | L479 C480 F481 H499 K502 D504 | C477-L479 PolarHBondContact O-N 3.2Å; C477-L479 PolarHBondContact SG-N 3.42Å; C477-C480 PolarHBondContact N-SG 2.87Å; C477-C480 VanDerWaalsContact N-SG 3.37Å; C477-C480 PolarHBondContact O-N 3.35Å; C477-F481 PolarHBondContact O-N 3.45Å; C477-H499 PolarHBondContact SG-NE2 3.15Å; C477-K502 HydrophobicContact CB-CB 4.01Å; C477-D504 WeakPolarHBondContact CA-OD1 3.37Å; C477-D504 WeakPolarHBondContact CB-OD1 3.18Å | ||
| 478 | S | 80.6 | Confident | 76.6 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.4 | 177.7 | 55.1 | 0 | 0 | 0 | 0 | 114.7 | P482 | S478-P482 WeakPolarHBondContact O-CA 3.33Š|
| 479 | L | 78.9 | Confident | 75.7 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -36.8 | 172.5 | -56 | 177.7 | 0 | 0 | 0 | 112.7 | C477 F481 P482 L497 | C477-L479 PolarHBondContact O-N 3.2Å; C477-L479 PolarHBondContact SG-N 3.42Å; L479-F481 VanDerWaalsContact C-N 3.27Å; L479-F481 PolarHBondContact O-N 2.89Å; L479-P482 WeakPolarHBondContact O-CD 3.41Å; L479-L497 HydrophobicContact CB-CD2 3.99Å; L479-L497 WeakPolarHBondContact O-CD2 3.32Å |
| 480 | C | 81.1 | Confident | 74.6 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.095 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -30.1 | 172.1 | -46.9 | 0 | 0 | 0 | 0 | 112.3 | A476 C477 P482 K494 H499 C501 | A476-C480 HydrophobicContact CB-CB 3.94Å; C477-C480 PolarHBondContact N-SG 2.87Å; C477-C480 VanDerWaalsContact N-SG 3.37Å; C477-C480 PolarHBondContact O-N 3.35Å; C480-P482 VanDerWaalsContact C-CD 3.46Å; C480-K494 PolarHBondContact O-N 2.87Å; C480-H499 PolarHBondContact SG-CE1 3.33Å; C480-C501 PolarHBondContact SG-SG 3.2Å |
| 481 | F | 80.9 | Confident | 73.9 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -135.5 | 58.7 | -168 | -159.8 | -107.1 | 0 | 0 | 0 | 111.3 | A476 C477 L479 F491 H493 L507 W518 R520 | A476-F481 HydrophobicContact CB-CB 4.33Å; C477-F481 PolarHBondContact O-N 3.45Å; L479-F481 VanDerWaalsContact C-N 3.27Å; L479-F481 PolarHBondContact O-N 2.89Å; F481-F491 HydrophobicContact CD1-CB 3.63Å; F481-F491 AromaticContact CD1-CD1 3.67Å; F481-F491 HydrophobicContact CD1-CD1 3.67Å; F481-F491 HydrophobicContact CD1-CD2 4.32Å; F481-F491 HydrophobicContact CD1-CE1 4.39Å; F481-F491 AromaticContact CD1-CG 3.65Å; F481-F491 HydrophobicContact CD1-CG 3.65Å; F481-F491 HydrophobicContact CD2-CB 4.33Å; F481-F491 HydrophobicContact CE1-CB 3.14Å; F481-F491 AromaticContact CE1-CD1 3.71Å; F481-F491 HydrophobicContact CE1-CD1 3.71Å; F481-F491 AromaticContact CE1-CD2 3.52Å; F481-F491 HydrophobicContact CE1-CD2 3.52Å; F481-F491 HydrophobicContact CE1-CE1 4.45Å; F481-F491 HydrophobicContact CE1-CE2 4.27Å; F481-F491 AromaticContact CE1-CG 3.2Å; F481-F491 HydrophobicContact CE1-CG 3.2Å; F481-F491 HydrophobicContact CE2-CB 3.93Å; F481-F491 HydrophobicContact CG-CB 4.21Å; F481-F491 HydrophobicContact CZ-CB 3.31Å; F481-F491 HydrophobicContact CZ-CD2 4.16Å; F481-F491 AromaticContact CZ-CG 3.89Å; F481-F491 HydrophobicContact CZ-CG 3.89Å; F481-H493 HydrophobicContact CD2-CB 3.86Å; F481-H493 HydrophobicContact CE2-CB 4.08Å; F481-L507 HydrophobicContact CB-CD1 4.41Å; F481-L507 HydrophobicContact CD1-CD2 3.65Å; F481-L507 HydrophobicContact CD2-CD1 3.52Å; F481-L507 HydrophobicContact CD2-CD2 3.85Å; F481-L507 HydrophobicContact CD2-CG 4.37Å; F481-L507 HydrophobicContact CE1-CD2 3.62Å; F481-L507 HydrophobicContact CE2-CD1 3.85Å; F481-L507 HydrophobicContact CE2-CD2 3.84Å; F481-L507 HydrophobicContact CG-CD1 4Å; F481-L507 HydrophobicContact CG-CD2 3.76Å; F481-L507 HydrophobicContact CZ-CD2 3.71Å; F481-W518 HydrophobicContact CE2-CB 4.26Å; F481-W518 WeakPolarHBondContact CE2-O 3.22Å; F481-W518 WeakPolarHBondContact CZ-O 3.33Å; F481-R520 HydrophobicContact CD1-CB 4.36Å; F481-R520 HydrophobicContact CE1-CB 3.67Å; F481-R520 HydrophobicContact CZ-CB 4.43Å |
| 482 | P | 75.1 | Confident | 73.1 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 26% | 0.26 | 30% | 0.295 | S | S | . | . | trans | -63.7 | 146.7 | 178.1 | 27.4 | -37.4 | 0 | 0 | 0 | 111.9 | S478 L479 C480 G484 F491 V492 K494 | S478-P482 WeakPolarHBondContact O-CA 3.33Å; L479-P482 WeakPolarHBondContact O-CD 3.41Å; C480-P482 VanDerWaalsContact C-CD 3.46Å; P482-G484 PolarHBondContact O-N 2.82Å; P482-F491 WeakPolarHBondContact O-CA 3.47Å; P482-V492 VanDerWaalsContact CD-O 3.31Å; P482-V492 WeakPolarHBondContact CD-O 3.49Å; P482-V492 PolarHBondContact O-N 2.95Å; P482-K494 HydrophobicContact CG-CD 4.16Å | ||
| 483 | R | 73.3 | Confident | 72.6 | Confident | 141 Ų | 141 | 51.3 Ų | 51.3 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 122.8 | 172 | -165.5 | -179.5 | -177 | 172.2 | -2.2 | 109.3 | G485 P486 S487 S490 F491 | R483-G485 WeakPolarHBondContact CG-O 3.35Å; R483-G485 PolarHBondContact NE-O 3.18Å; R483-P486 PolarHBondContact NH2-O 3.31Å; R483-S487 PolarHBondContact NE-O 3.33Å; R483-S487 PolarHBondContact NH2-O 2.86Å; R483-S490 CarbonylContact C-O 3.57Å; R483-S490 WeakPolarHBondContact CA-O 3.46Å; R483-S490 WeakPolarHBondContact CG-O 3.46Å; R483-F491 HydrophobicContact CB-CD1 4Å; R483-F491 HydrophobicContact CB-CE1 3.92Å; R483-F491 HydrophobicContact CG-CD1 4.36Å; R483-F491 HydrophobicContact CG-CE1 4.16Å |
| 484 | G | 58.5 | Low | 72 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | trans | -97.8 | 4.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P482 S490 | P482-G484 PolarHBondContact O-N 2.82Å; G484-S490 PolarHBondContact N-O 3.46Å | ||
| 485 | G | 62.5 | Low | 71.1 | Confident | 27 Ų | 27 | 56.4 Ų | 56.4 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -178.2 | -176.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R483 S490 | R483-G485 WeakPolarHBondContact CG-O 3.35Å; R483-G485 PolarHBondContact NE-O 3.18Å; G485-S490 WeakPolarHBondContact CA-OG 3.4Å; G485-S490 PolarHBondContact N-OG 3.26Å; G485-S490 PolarHBondContact O-OG 2.96Å; G485-S490 VanDerWaalsContact O-OG 3.13Å |
| 486 | P | 56.3 | Low | 70.4 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 77% | 0.766 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -75.6 | -24.4 | -176.4 | 30.3 | -35.1 | 0 | 0 | 0 | 113.7 | R483 | R483-P486 PolarHBondContact NH2-O 3.31Š|
| 487 | S | 57.1 | Low | 70.1 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -66.6 | 162 | 177.4 | 81.4 | 0 | 0 | 0 | 0 | 111.3 | R483 Y489 S490 A546 | R483-S487 PolarHBondContact NE-O 3.33Å; R483-S487 PolarHBondContact NH2-O 2.86Å; S487-Y489 PolarHBondContact O-N 3.28Å; S487-Y489 PolarHBondContact OG-N 3.33Å; S487-S490 PolarHBondContact O-OG 3.3Å; S487-S490 WeakPolarHBondContact OG-CB 3.38Å; S487-S490 PolarHBondContact OG-N 3.41Å; S487-S490 PolarHBondContact OG-OG 3.15Å; S487-A546 WeakPolarHBondContact CA-O 3.48Å; S487-A546 WeakPolarHBondContact CB-O 3.39Å |
| 488 | V | 59.1 | Low | 69.6 | Low | 26 Ų | 26 | 71 Ų | 71 | 16% | 0.158 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -79.7 | -6.5 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | F491 L540 G547 V548 Y559 | V488-F491 WeakPolarHBondContact O-CE2 3.26Å; V488-L540 HydrophobicContact CB-CD1 4.39Å; V488-G547 WeakPolarHBondContact CB-O 3.39Å; V488-G547 WeakPolarHBondContact CG2-O 3.45Å; V488-G547 PolarHBondContact N-O 2.88Å; V488-V548 HydrophobicContact CG2-CG1 4.47Å; V488-Y559 HydrophobicContact CG1-CD2 4.01Å; V488-Y559 HydrophobicContact CG1-CE2 3.56Å |
| 489 | Y | 61.4 | Low | 69.6 | Low | 95 Ų | 95 | 69.7 Ų | 69.7 | 37% | 0.373 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -111.8 | -18.6 | 178.3 | -71.3 | -55.7 | 0 | 0 | 0 | 115.7 | S487 F491 L540 Y559 | S487-Y489 PolarHBondContact O-N 3.28Å; S487-Y489 PolarHBondContact OG-N 3.33Å; Y489-F491 WeakPolarHBondContact O-CD2 3.25Å; Y489-F491 PolarHBondContact O-N 3.4Å; Y489-L540 HydrophobicContact CE2-CD1 4.47Å; Y489-L540 HydrophobicContact CE2-CD2 3.57Å; Y489-L540 HydrophobicContact CE2-CG 4.05Å; Y489-L540 WeakPolarHBondContact OH-CD2 3.3Å; Y489-Y559 WeakPolarHBondContact OH-CB 3.43Å; Y489-Y559 PolarHBondContact OH-O 3Å |
| 490 | S | 57.9 | Low | 69.4 | Low | 33 Ų | 33 | 72.8 Ų | 72.8 | 23% | 0.231 | 41% | 0.406 | C | S | . | . | trans | -65.3 | 95.2 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | R483 G484 G485 S487 | R483-S490 CarbonylContact C-O 3.57Å; R483-S490 WeakPolarHBondContact CA-O 3.46Å; R483-S490 WeakPolarHBondContact CG-O 3.46Å; G484-S490 PolarHBondContact N-O 3.46Å; G485-S490 WeakPolarHBondContact CA-OG 3.4Å; G485-S490 PolarHBondContact N-OG 3.26Å; G485-S490 PolarHBondContact O-OG 2.96Å; G485-S490 VanDerWaalsContact O-OG 3.13Å; S487-S490 PolarHBondContact O-OG 3.3Å; S487-S490 WeakPolarHBondContact OG-CB 3.38Å; S487-S490 PolarHBondContact OG-N 3.41Å; S487-S490 PolarHBondContact OG-OG 3.15Å | ||
| 491 | F | 69 | Low | 69.2 | Low | 50 Ų | 50 | 74.1 Ų | 74.1 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | 143.9 | 174.4 | -66.3 | -81 | 0 | 0 | 0 | 108.8 | F481 P482 R483 V488 Y489 R520 | F481-F491 HydrophobicContact CD1-CB 3.63Å; F481-F491 AromaticContact CD1-CD1 3.67Å; F481-F491 HydrophobicContact CD1-CD1 3.67Å; F481-F491 HydrophobicContact CD1-CD2 4.32Å; F481-F491 HydrophobicContact CD1-CE1 4.39Å; F481-F491 AromaticContact CD1-CG 3.65Å; F481-F491 HydrophobicContact CD1-CG 3.65Å; F481-F491 HydrophobicContact CD2-CB 4.33Å; F481-F491 HydrophobicContact CE1-CB 3.14Å; F481-F491 AromaticContact CE1-CD1 3.71Å; F481-F491 HydrophobicContact CE1-CD1 3.71Å; F481-F491 AromaticContact CE1-CD2 3.52Å; F481-F491 HydrophobicContact CE1-CD2 3.52Å; F481-F491 HydrophobicContact CE1-CE1 4.45Å; F481-F491 HydrophobicContact CE1-CE2 4.27Å; F481-F491 AromaticContact CE1-CG 3.2Å; F481-F491 HydrophobicContact CE1-CG 3.2Å; F481-F491 HydrophobicContact CE2-CB 3.93Å; F481-F491 HydrophobicContact CG-CB 4.21Å; F481-F491 HydrophobicContact CZ-CB 3.31Å; F481-F491 HydrophobicContact CZ-CD2 4.16Å; F481-F491 AromaticContact CZ-CG 3.89Å; F481-F491 HydrophobicContact CZ-CG 3.89Å; P482-F491 WeakPolarHBondContact O-CA 3.47Å; R483-F491 HydrophobicContact CB-CD1 4Å; R483-F491 HydrophobicContact CB-CE1 3.92Å; R483-F491 HydrophobicContact CG-CD1 4.36Å; R483-F491 HydrophobicContact CG-CE1 4.16Å; V488-F491 WeakPolarHBondContact O-CE2 3.26Å; Y489-F491 WeakPolarHBondContact O-CD2 3.25Å; Y489-F491 PolarHBondContact O-N 3.4Å; F491-R520 HydrophobicContact CE2-CB 4.48Å |
| 492 | V | 71.8 | Confident | 69 | Low | 76 Ų | 76 | 81.1 Ų | 81.1 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | trans | -117.2 | 113.8 | 179.8 | -179 | 0 | 0 | 0 | 0 | 108.7 | P482 K494 | P482-V492 VanDerWaalsContact CD-O 3.31Å; P482-V492 WeakPolarHBondContact CD-O 3.49Å; P482-V492 PolarHBondContact O-N 2.95Å; V492-K494 HydrophobicContact CG1-CG 4.28Å; V492-K494 PolarHBondContact O-N 3.2Å | ||
| 493 | H | 75.1 | Confident | 69.3 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 25% | 0.245 | 46% | 0.455 | C | S | . | . | trans | -71.6 | 124.1 | 173.4 | -173.4 | -123 | 0 | 0 | 0 | 110.4 | L474 F481 P495 W518 | L474-H493 WeakPolarHBondContact CD2-NE2 3.31Å; F481-H493 HydrophobicContact CD2-CB 3.86Å; F481-H493 HydrophobicContact CE2-CB 4.08Å; H493-P495 VanDerWaalsContact O-CD 3.3Å; H493-P495 WeakPolarHBondContact O-CD 3.46Å; H493-W518 AromaticContact ND1-CD1 3.76Å | ||
| 494 | K | 76.1 | Confident | 69.7 | Low | 110 Ų | 110 | 82.5 Ų | 82.5 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | trans | -116 | 79.3 | -179.6 | -64.8 | -171.7 | 178.9 | -173.7 | 0 | 109.7 | C480 P482 V492 D496 L497 | C480-K494 PolarHBondContact O-N 2.87Å; P482-K494 HydrophobicContact CG-CD 4.16Å; V492-K494 HydrophobicContact CG1-CG 4.28Å; V492-K494 PolarHBondContact O-N 3.2Å; K494-D496 VanDerWaalsContact C-N 3.26Å; K494-D496 PolarHBondContact O-N 3.4Å; K494-L497 HydrophobicContact CB-CB 4.33Å; K494-L497 PolarHBondContact O-N 3.43Å | ||
| 495 | P | 65.5 | Low | 70.9 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.9 | -174 | 23.8 | -32.1 | 0 | 0 | 0 | 113.1 | H493 L497 | H493-P495 VanDerWaalsContact O-CD 3.3Å; H493-P495 WeakPolarHBondContact O-CD 3.46Å; P495-L497 VanDerWaalsContact C-N 3.27Å; P495-L497 PolarHBondContact O-N 3.02Å |
| 496 | D | 71.4 | Confident | 72.1 | Confident | 147 Ų | 147 | 79.4 Ų | 79.4 | 79% | 0.786 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.9 | -174.9 | -47.1 | -72.3 | 0 | 0 | 0 | 114.1 | K494 V498 | K494-D496 VanDerWaalsContact C-N 3.26Å; K494-D496 PolarHBondContact O-N 3.4Å; D496-V498 PolarHBondContact O-N 3.41Å |
| 497 | L | 77.6 | Confident | 73.5 | Confident | 80 Ų | 80 | 73.8 Ų | 73.8 | 42% | 0.419 | 38% | 0.38 | S | S | . | . | trans | -74.8 | 97.2 | -179.5 | -173.7 | 70.6 | 0 | 0 | 0 | 111.1 | L479 K494 P495 H499 | L479-L497 HydrophobicContact CB-CD2 3.99Å; L479-L497 WeakPolarHBondContact O-CD2 3.32Å; K494-L497 HydrophobicContact CB-CB 4.33Å; K494-L497 PolarHBondContact O-N 3.43Å; P495-L497 VanDerWaalsContact C-N 3.27Å; P495-L497 PolarHBondContact O-N 3.02Å; L497-H499 PolarHBondContact O-N 3.03Å; L497-H499 VanDerWaalsContact O-N 3.12Å; L497-H499 PolarHBondContact O-ND1 2.87Å | ||
| 498 | V | 73.4 | Confident | 75 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 73% | 0.727 | 37% | 0.373 | S | S | * | . | trans | -68.9 | 106.6 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | D496 | D496-V498 PolarHBondContact O-N 3.41Š| ||
| 499 | H | 78.9 | Confident | 76.3 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 26% | 0.255 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -158.6 | 168.5 | 174.8 | 68.9 | -69.4 | 0 | 0 | 0 | 111.4 | C477 C480 L497 C501 | C477-H499 PolarHBondContact SG-NE2 3.15Å; C480-H499 PolarHBondContact SG-CE1 3.33Å; L497-H499 PolarHBondContact O-N 3.03Å; L497-H499 VanDerWaalsContact O-N 3.12Å; L497-H499 PolarHBondContact O-ND1 2.87Å; H499-C501 PolarHBondContact CD2-N 3.36Å; H499-C501 WeakPolarHBondContact NE2-CA 3.48Å; H499-C501 PolarHBondContact O-N 3.39Å |
| 500 | N | 75.3 | Confident | 77.5 | Confident | 165 Ų | 165 | 75.9 Ų | 75.9 | 88% | 0.882 | 38% | 0.381 | S | S | * | . | trans | -75.8 | 85.5 | 171.6 | -69.4 | -8.1 | 0 | 0 | 0 | 110.2 | K502 | N500-K502 PolarHBondContact O-N 3.42Š| ||
| 501 | C | 77.3 | Confident | 78.7 | Confident | 41 Ų | 41 | 79.6 Ų | 79.6 | 28% | 0.277 | 39% | 0.393 | S | S | . | . | trans | -63 | 129.8 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | C480 H499 R503 | C480-C501 PolarHBondContact SG-SG 3.2Å; H499-C501 PolarHBondContact CD2-N 3.36Å; H499-C501 WeakPolarHBondContact NE2-CA 3.48Å; H499-C501 PolarHBondContact O-N 3.39Å; C501-R503 VanDerWaalsContact C-N 3.35Å; C501-R503 PolarHBondContact SG-N 3.01Å; C501-R503 VanDerWaalsContact SG-N 3.37Å | ||
| 502 | K | 75.8 | Confident | 78.6 | Confident | 159 Ų | 159 | 81.3 Ų | 81.3 | 69% | 0.691 | 42% | 0.417 | S | S | * | . | trans | -74.6 | -17.9 | 179 | -68.9 | -175.2 | 177.1 | -178.3 | 0 | 115 | C477 N500 D504 | C477-K502 HydrophobicContact CB-CB 4.01Å; N500-K502 PolarHBondContact O-N 3.42Å; K502-D504 HydrophobicContact CB-CB 4.37Å; K502-D504 PolarHBondContact O-N 3.09Å | ||
| 503 | R | 81.9 | Confident | 77.9 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | trans | 54.6 | 35.3 | -176.1 | -54.3 | -174.8 | -172.5 | 164 | 1.2 | 113.6 | P475 A476 C501 L581 G582 | P475-R503 HydrophobicContact CB-CB 3.89Å; P475-R503 HydrophobicContact CB-CG 4.01Å; A476-R503 CarbonylContact O-C 3.48Å; A476-R503 VanDerWaalsContact O-C 3.3Å; A476-R503 WeakPolarHBondContact O-CA 3.34Å; C501-R503 VanDerWaalsContact C-N 3.35Å; C501-R503 PolarHBondContact SG-N 3.01Å; C501-R503 VanDerWaalsContact SG-N 3.37Å; R503-L581 WeakPolarHBondContact CB-O 3.4Å; R503-L581 WeakPolarHBondContact CD-O 3.44Å; R503-L581 WeakPolarHBondContact O-CD2 3.36Å; R503-G582 PolarHBondContact NH1-O 3.24Å | ||
| 504 | D | 81.3 | Confident | 76.7 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | trans | -93.9 | -5.3 | -177.8 | 54.1 | -3.6 | 0 | 0 | 0 | 113.9 | A476 C477 K502 | A476-D504 PolarHBondContact O-N 3.08Å; C477-D504 WeakPolarHBondContact CA-OD1 3.37Å; C477-D504 WeakPolarHBondContact CB-OD1 3.18Å; K502-D504 HydrophobicContact CB-CB 4.37Å; K502-D504 PolarHBondContact O-N 3.09Å | ||
| 505 | V | 84.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 82.7 Ų | 82.7 | 10% | 0.103 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 110 | A476 L507 R520 | A476-V505 HydrophobicContact CB-CB 4.2Å; A476-V505 HydrophobicContact CB-CG1 4.48Å; A476-V505 PolarHBondContact N-O 3.37Å; A476-V505 PolarHBondContact O-N 2.91Å; V505-L507 HydrophobicContact CG1-CD2 3.84Å; V505-R520 HydrophobicContact CG1-CG 3.92Å |
| 506 | L | 87.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.01 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.9 | 172.1 | -174.4 | 64.2 | 0 | 0 | 0 | 109.8 | F473 V521 V566 R577 L580 L581 | F473-L506 HydrophobicContact CB-CD1 4.42Å; F473-L506 HydrophobicContact CD1-CD1 4.15Å; F473-L506 HydrophobicContact CD1-CD2 4.42Å; F473-L506 HydrophobicContact CD1-CG 4.48Å; L506-V521 HydrophobicContact CD2-CB 4.41Å; L506-V521 HydrophobicContact CD2-CG1 4.42Å; L506-V521 PolarHBondContact O-N 3.14Å; L506-V566 HydrophobicContact CD2-CG1 4.46Å; L506-R577 HydrophobicContact CD2-CG 4.34Å; L506-L580 HydrophobicContact CD1-CB 3.93Å; L506-L580 HydrophobicContact CD1-CD1 4.31Å; L506-L580 HydrophobicContact CD2-CD1 3.93Å; L506-L581 HydrophobicContact CB-CD2 3.88Å; L506-L581 HydrophobicContact CD1-CD2 4.02Å |
| 507 | L | 86.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.8 | 168.1 | -51.2 | -178.4 | 0 | 0 | 0 | 109.8 | F473 L474 A476 F481 V505 W518 T519 R520 | F473-L507 WeakPolarHBondContact CA-O 3.5Å; L474-L507 HydrophobicContact CB-CB 4.34Å; L474-L507 HydrophobicContact CD2-CD1 4.48Å; L474-L507 PolarHBondContact N-O 3.02Å; L474-L507 WeakPolarHBondContact O-CB 3.49Å; L474-L507 PolarHBondContact O-N 3.15Å; A476-L507 HydrophobicContact CB-CD1 3.6Å; A476-L507 HydrophobicContact CB-CD2 4.43Å; A476-L507 HydrophobicContact CB-CG 3.76Å; F481-L507 HydrophobicContact CB-CD1 4.41Å; F481-L507 HydrophobicContact CD1-CD2 3.65Å; F481-L507 HydrophobicContact CD2-CD1 3.52Å; F481-L507 HydrophobicContact CD2-CD2 3.85Å; F481-L507 HydrophobicContact CD2-CG 4.37Å; F481-L507 HydrophobicContact CE1-CD2 3.62Å; F481-L507 HydrophobicContact CE2-CD1 3.85Å; F481-L507 HydrophobicContact CE2-CD2 3.84Å; F481-L507 HydrophobicContact CG-CD1 4Å; F481-L507 HydrophobicContact CG-CD2 3.76Å; F481-L507 HydrophobicContact CZ-CD2 3.71Å; V505-L507 HydrophobicContact CG1-CD2 3.84Å; L507-W518 HydrophobicContact CB-CB 4.27Å; L507-W518 HydrophobicContact CB-CD2 4.44Å; L507-W518 HydrophobicContact CB-CE3 3.82Å; L507-W518 HydrophobicContact CD1-CB 4.04Å; L507-W518 HydrophobicContact CD1-CG 4.49Å; L507-T519 CarbonylContact C-O 3.57Å; L507-T519 WeakPolarHBondContact CA-O 3.5Å; L507-R520 HydrophobicContact CD2-CB 4.03Å |
| 508 | C | 88 | Confident | 76.1 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.7 | 178.8 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | D472 F473 T519 V521 | D472-C508 WeakPolarHBondContact O-CA 3.44Å; F473-C508 HydrophobicContact CD1-CB 4.16Å; F473-C508 HydrophobicContact CE1-CB 4.15Å; F473-C508 VanDerWaalsContact CE1-SG 3.52Å; C508-T519 PolarHBondContact N-O 3.46Å; C508-T519 PolarHBondContact O-N 3.09Å; C508-V521 HydrophobicContact CB-CG2 3.5Å; C508-V521 VanDerWaalsContact CB-CG2 3.5Å |
| 509 | R | 87 | Confident | 76.7 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 162.4 | 168.3 | 65.3 | 179.9 | -170.2 | 173.8 | 4.5 | 109.8 | H471 D472 S516 W518 | H471-R509 WeakPolarHBondContact CA-O 3.35Å; D472-R509 HydrophobicContact CB-CG 3.76Å; D472-R509 PolarHBondContact N-O 2.92Å; D472-R509 PolarHBondContact O-N 2.67Å; D472-R509 VanDerWaalsContact O-N 3.15Å; D472-R509 IonicContact OD2-CZ 3.29Å; D472-R509 VanDerWaalsContact OD2-CZ 3.29Å; D472-R509 IonicContact OD2-NE 2.95Å; D472-R509 PolarHBondContact OD2-NE 3.46Å; D472-R509 IonicContact OD2-NH2 2.75Å; D472-R509 PolarHBondContact OD2-NH2 2.86Å; R509-S516 PolarHBondContact NH1-O 3.25Å; R509-W518 HydrophobicContact CB-CE3 4.43Å; R509-W518 HydrophobicContact CG-CD2 4.49Å; R509-W518 HydrophobicContact CG-CE3 4.04Å; R509-W518 HydrophobicContact CG-CH2 4.21Å; R509-W518 HydrophobicContact CG-CZ3 3.9Å |
| 510 | R | 85.8 | Confident | 77 | Confident | 117 Ų | 117 | 76 Ų | 76 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 148.6 | 173.3 | -65.6 | -165.8 | 163.3 | 174 | -5.8 | 111.2 | H471 Q561 L562 D565 | H471-R510 PolarHBondContact NE2-NE 3.19Å; R510-Q561 VanDerWaalsContact NH2-CG 3.33Å; R510-L562 HydrophobicContact CG-CD2 3.85Å; R510-D565 IonicContact CZ-OD2 3.71Å; R510-D565 IonicContact NE-OD2 2.83Å; R510-D565 IonicContact NH2-OD1 2.67Å; R510-D565 IonicContact NH2-OD2 3.13Å; R510-D565 PolarHBondContact NH2-OD2 3.05Å |
| 511 | K | 83.6 | Confident | 77.6 | Confident | 111 Ų | 111 | 68.3 Ų | 68.3 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -80.1 | -21.2 | 173.8 | -73.3 | -179.9 | 166.8 | 179.2 | 0 | 113.5 | S468 T470 H471 D472 | S468-K511 PolarHBondContact O-NZ 2.84Å; T470-K511 PolarHBondContact O-N 3.33Å; H471-K511 VanDerWaalsContact O-CE 3.26Å; H471-K511 WeakPolarHBondContact O-CE 3.34Å; D472-K511 WeakPolarHBondContact OD1-CE 3.4Å; D472-K511 IonicContact OD1-NZ 3.73Å |
| 512 | A | 66.9 | Low | 78.2 | Confident | 86 Ų | 86 | 67 Ų | 67 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -123.2 | 118.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 513 | G | 57.2 | Low | 78.6 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 63% | 0.629 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 153.9 | 154.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 514 | S | 50.5 | Low | 78.7 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 90% | 0.902 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -78.6 | -22.6 | -178.6 | 43.1 | 0 | 0 | 0 | 0 | 114.1 | S516 | S514-S516 PolarHBondContact O-N 3.2Š|
| 515 | S | 56.9 | Low | 78.6 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | trans | -78 | 107.9 | 175 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | D517 | S515-D517 PolarHBondContact O-N 3.45Š| ||
| 516 | S | 62.7 | Low | 77.5 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 58% | 0.58 | 38% | 0.375 | S | S | * | . | trans | -79.3 | -4.5 | 176.6 | -70.8 | 0 | 0 | 0 | 0 | 114 | R509 S514 | R509-S516 PolarHBondContact NH1-O 3.25Å; S514-S516 PolarHBondContact O-N 3.2Å | ||
| 517 | D | 74.4 | Confident | 75.9 | Confident | 116 Ų | 116 | 70.8 Ų | 70.8 | 62% | 0.62 | 42% | 0.415 | S | S | * | . | trans | -75.5 | 136.5 | -163.7 | -56.5 | -60.9 | 0 | 0 | 0 | 114.4 | S515 T519 | S515-D517 PolarHBondContact O-N 3.45Å; D517-T519 PolarHBondContact O-N 3.41Å | ||
| 518 | W | 83.3 | Confident | 74.1 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 21% | 0.205 | 43% | 0.429 | C | S | . | . | trans | -76.7 | 117.3 | 176.9 | -72.8 | 104.6 | 0 | 0 | 0 | 110.9 | D472 L474 F481 H493 L507 R509 | D472-W518 HydrophobicContact CB-CH2 3.78Å; D472-W518 HydrophobicContact CB-CZ3 4.1Å; L474-W518 HydrophobicContact CB-CD2 4.38Å; L474-W518 HydrophobicContact CB-CE3 3.94Å; L474-W518 HydrophobicContact CB-CH2 3.57Å; L474-W518 HydrophobicContact CB-CZ2 4.06Å; L474-W518 HydrophobicContact CB-CZ3 3.51Å; L474-W518 HydrophobicContact CD2-CD2 4.17Å; L474-W518 HydrophobicContact CD2-CH2 4.37Å; L474-W518 HydrophobicContact CD2-CZ2 4Å; F481-W518 HydrophobicContact CE2-CB 4.26Å; F481-W518 WeakPolarHBondContact CE2-O 3.22Å; F481-W518 WeakPolarHBondContact CZ-O 3.33Å; H493-W518 AromaticContact ND1-CD1 3.76Å; L507-W518 HydrophobicContact CB-CB 4.27Å; L507-W518 HydrophobicContact CB-CD2 4.44Å; L507-W518 HydrophobicContact CB-CE3 3.82Å; L507-W518 HydrophobicContact CD1-CB 4.04Å; L507-W518 HydrophobicContact CD1-CG 4.49Å; R509-W518 HydrophobicContact CB-CE3 4.43Å; R509-W518 HydrophobicContact CG-CD2 4.49Å; R509-W518 HydrophobicContact CG-CE3 4.04Å; R509-W518 HydrophobicContact CG-CH2 4.21Å; R509-W518 HydrophobicContact CG-CZ3 3.9Å | ||
| 519 | T | 85.1 | Confident | 72.1 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.3 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | L507 C508 D517 V521 N560 L562 | L507-T519 CarbonylContact C-O 3.57Å; L507-T519 WeakPolarHBondContact CA-O 3.5Å; C508-T519 PolarHBondContact N-O 3.46Å; C508-T519 PolarHBondContact O-N 3.09Å; D517-T519 PolarHBondContact O-N 3.41Å; T519-V521 PolarHBondContact O-N 2.86Å; T519-N560 WeakPolarHBondContact CG2-ND2 3.49Å; T519-L562 HydrophobicContact CG2-CD1 4.08Å |
| 520 | R | 86.1 | Confident | 70.7 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 25% | 0.245 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.7 | 173.4 | 175.5 | 174.2 | -179 | -141.7 | 1.7 | 110.7 | F481 F491 V505 L507 E553 | F481-R520 HydrophobicContact CD1-CB 4.36Å; F481-R520 HydrophobicContact CE1-CB 3.67Å; F481-R520 HydrophobicContact CZ-CB 4.43Å; F491-R520 HydrophobicContact CE2-CB 4.48Å; V505-R520 HydrophobicContact CG1-CG 3.92Å; L507-R520 HydrophobicContact CD2-CB 4.03Å; R520-E553 IonicContact CZ-OE1 2.72Å; R520-E553 IonicContact NH1-OE1 3.56Å; R520-E553 PolarHBondContact NH1-OE1 2.59Å; R520-E553 IonicContact NH2-OE1 2.69Å; R520-E553 PolarHBondContact NH2-OE1 3.36Å |
| 521 | V | 88.6 | Confident | 69.3 | Low | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.012 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.3 | 169.2 | 177 | 0 | 0 | 0 | 0 | 107.3 | L506 C508 T519 L562 E563 V566 R577 | L506-V521 HydrophobicContact CD2-CB 4.41Å; L506-V521 HydrophobicContact CD2-CG1 4.42Å; L506-V521 PolarHBondContact O-N 3.14Å; C508-V521 HydrophobicContact CB-CG2 3.5Å; C508-V521 VanDerWaalsContact CB-CG2 3.5Å; T519-V521 PolarHBondContact O-N 2.86Å; V521-L562 HydrophobicContact CG2-CB 4.36Å; V521-E563 HydrophobicContact CB-CG 4.35Å; V521-E563 HydrophobicContact CG1-CG 4.05Å; V521-E563 HydrophobicContact CG2-CG 4.48Å; V521-V566 HydrophobicContact CG1-CB 3.98Å; V521-V566 HydrophobicContact CG1-CG1 3.94Å; V521-V566 HydrophobicContact CG1-CG2 4.31Å; V521-R577 PolarHBondContact O-NH2 3.27Å |
| 522 | R | 88.9 | Confident | 68.4 | Low | 15 Ų | 15 | 73.7 Ų | 73.7 | 6% | 0.057 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 160 | 174.3 | -65.8 | 171.8 | -61.9 | 141.4 | 1.4 | 111.8 | C555 F557 E563 W567 R577 | R522-C555 PolarHBondContact NH1-O 2.95Å; R522-F557 PolarHBondContact NH2-O 2.94Å; R522-E563 VanDerWaalsContact CB-OE1 3.24Å; R522-E563 WeakPolarHBondContact CB-OE1 3.29Å; R522-E563 WeakPolarHBondContact CG-OE1 3.4Å; R522-E563 IonicContact CZ-OE1 3.78Å; R522-E563 IonicContact CZ-OE2 3.4Å; R522-E563 PolarHBondContact N-OE1 3Å; R522-E563 IonicContact NE-OE1 2.72Å; R522-E563 PolarHBondContact NE-OE1 3.28Å; R522-E563 IonicContact NE-OE2 3.52Å; R522-E563 PolarHBondContact NE-OE2 3.24Å; R522-E563 IonicContact NH2-OE1 3.98Å; R522-E563 IonicContact NH2-OE2 2.74Å; R522-E563 PolarHBondContact NH2-OE2 2.98Å; R522-W567 HydrophobicContact CB-CZ2 4.25Å; R522-W567 PolarHBondContact O-NE1 3.37Å; R522-R577 PolarHBondContact O-NH1 3.42Å; R522-R577 VanDerWaalsContact O-NH1 3.08Å; R522-R577 PolarHBondContact O-NH2 2.94Å |
| 523 | P | 84.9 | Confident | 68.8 | Low | 85 Ų | 85 | 80.4 Ų | 80.4 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 152.6 | 168.6 | -20.6 | 33.8 | 0 | 0 | 0 | 112.1 | ||
| 524 | L | 83.2 | Confident | 70.1 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 127.5 | 172.6 | 179.9 | 67.2 | 0 | 0 | 0 | 110.9 | A526 F534 W567 | L524-A526 PolarHBondContact O-N 2.97Å; L524-F534 HydrophobicContact CD1-CE1 3.72Å; L524-F534 HydrophobicContact CD1-CZ 3.44Å; L524-F534 VanDerWaalsContact CD1-CZ 3.44Å; L524-W567 HydrophobicContact CD1-CB 4.05Å; L524-W567 HydrophobicContact CD1-CD2 4.23Å; L524-W567 HydrophobicContact CD1-CE3 4.47Å; L524-W567 HydrophobicContact CD1-CG 4.06Å |
| 525 | P | 79.9 | Confident | 71.8 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 17% | 0.169 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 123.9 | -177 | -26.2 | 36 | 0 | 0 | 0 | 113.9 | Q527 S528 T556 W567 | P525-Q527 PolarHBondContact O-N 3.2Å; P525-S528 VanDerWaalsContact O-CB 3.25Å; P525-S528 WeakPolarHBondContact O-CB 3.26Å; P525-S528 PolarHBondContact O-N 3.38Å; P525-T556 HydrophobicContact CB-CG2 4.22Å; P525-W567 HydrophobicContact CG-CH2 3.72Å; P525-W567 HydrophobicContact CG-CZ2 4.15Å; P525-W567 HydrophobicContact CG-CZ3 4.18Å |
| 526 | A | 59.6 | Low | 73.3 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 93% | 0.926 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | L524 | L524-A526 PolarHBondContact O-N 2.97Š|
| 527 | Q | 54.7 | Low | 74.5 | Confident | 183 Ų | 183 | 71.7 Ų | 71.7 | 86% | 0.855 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 13.5 | 177.6 | -70.5 | 179.3 | -33 | 0 | 0 | 113.3 | P525 A529 | P525-Q527 PolarHBondContact O-N 3.2Å; Q527-A529 VanDerWaalsContact C-N 3.28Å; Q527-A529 PolarHBondContact O-N 2.72Å |
| 528 | S | 49.4 | Very low | 74.9 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | trans | -71.8 | 73.6 | 179.6 | 179 | 0 | 0 | 0 | 0 | 113.2 | P525 F530 | P525-S528 VanDerWaalsContact O-CB 3.25Å; P525-S528 WeakPolarHBondContact O-CB 3.26Å; P525-S528 PolarHBondContact O-N 3.38Å; S528-F530 PolarHBondContact O-N 2.66Å | ||
| 529 | A | 46.4 | Very low | 74.7 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | trans | -72.1 | 9 | 163 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q527 Y531 | Q527-A529 VanDerWaalsContact C-N 3.28Å; Q527-A529 PolarHBondContact O-N 2.72Å; A529-Y531 WeakPolarHBondContact O-CD2 3.33Å; A529-Y531 WeakPolarHBondContact O-CE2 3.11Å | ||
| 530 | F | 57.1 | Low | 74.4 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 45% | 0.447 | 37% | 0.371 | S | S | . | . | trans | -83.9 | 118 | -177.6 | 171 | -106.3 | 0 | 0 | 0 | 111.7 | S528 G532 R533 R571 | S528-F530 PolarHBondContact O-N 2.66Å; F530-G532 WeakPolarHBondContact CE1-O 3.47Å; F530-R533 VanDerWaalsContact CE1-O 3.26Å; F530-R533 WeakPolarHBondContact CE1-O 3.23Å; F530-R533 WeakPolarHBondContact CZ-O 3.25Å; F530-R571 PolarHBondContact O-NH1 3.02Å; F530-R571 PolarHBondContact O-NH2 3.18Å | ||
| 531 | Y | 55.8 | Low | 74 | Confident | 115 Ų | 115 | 74.2 Ų | 74.2 | 45% | 0.451 | 39% | 0.391 | S | S | . | . | trans | -94.7 | -4.3 | -175.4 | -53.8 | -63.5 | 0 | 0 | 0 | 114.7 | A529 R571 L671 | A529-Y531 WeakPolarHBondContact O-CD2 3.33Å; A529-Y531 WeakPolarHBondContact O-CE2 3.11Å; Y531-R571 PolarHBondContact O-NH1 3.23Å; Y531-L671 HydrophobicContact CD1-CD1 4.23Å; Y531-L671 HydrophobicContact CE1-CD1 3.51Å | ||
| 532 | G | 65.1 | Low | 73.3 | Confident | 27 Ų | 27 | 79.6 Ų | 79.6 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -72.9 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | F530 R571 | F530-G532 WeakPolarHBondContact CE1-O 3.47Å; G532-R571 PolarHBondContact O-NH1 2.95Å; G532-R571 PolarHBondContact O-NH2 3.5Å |
| 533 | R | 74.3 | Confident | 72.2 | Confident | 227 Ų | 227 | 80.5 Ų | 80.5 | 86% | 0.857 | 43% | 0.428 | S | S | * | . | trans | -60.8 | 137.7 | 169.3 | -64.8 | 178.7 | -178.4 | 158.8 | 2.4 | 108.8 | F530 | F530-R533 VanDerWaalsContact CE1-O 3.26Å; F530-R533 WeakPolarHBondContact CE1-O 3.23Å; F530-R533 WeakPolarHBondContact CZ-O 3.25Å | ||
| 534 | F | 85.1 | Confident | 71.2 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 7% | 0.07 | 43% | 0.427 | C | S | . | . | trans | -64.2 | 137.8 | 171.3 | -64.3 | -79.4 | 0 | 0 | 0 | 109.5 | L524 I564 W567 R571 | L524-F534 HydrophobicContact CD1-CE1 3.72Å; L524-F534 HydrophobicContact CD1-CZ 3.44Å; L524-F534 VanDerWaalsContact CD1-CZ 3.44Å; F534-I564 HydrophobicContact CB-CG1 4.11Å; F534-I564 HydrophobicContact CB-CG2 4.26Å; F534-W567 AromaticContact CD1-CE3 3.66Å; F534-W567 HydrophobicContact CD1-CE3 3.66Å; F534-W567 HydrophobicContact CD1-CZ3 4.3Å; F534-W567 HydrophobicContact CD2-CB 4.06Å; F534-W567 HydrophobicContact CE1-CB 4.23Å; F534-W567 AromaticContact CE1-CE3 3.74Å; F534-W567 HydrophobicContact CE1-CE3 3.74Å; F534-W567 HydrophobicContact CE1-CZ3 4.47Å; F534-W567 VanDerWaalsContact CE2-C 3.49Å; F534-W567 HydrophobicContact CE2-CB 3.68Å; F534-W567 WeakPolarHBondContact CE2-O 3.24Å; F534-W567 HydrophobicContact CG-CB 4.48Å; F534-W567 HydrophobicContact CG-CE3 4.28Å; F534-W567 HydrophobicContact CZ-CB 3.76Å; F534-W567 HydrophobicContact CZ-CE3 4.42Å; F534-R571 HydrophobicContact CE2-CB 4.25Å; F534-R571 HydrophobicContact CZ-CB 4.41Å; F534-R571 VanDerWaalsContact CZ-NE 3.29Å | ||
| 535 | V | 86.5 | Confident | 70 | Confident | 74 Ų | 74 | 84.2 Ų | 84.2 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | trans | -124 | 158.1 | 178.8 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | F557 A558 | V535-F557 HydrophobicContact CG2-CD1 3.74Å; V535-F557 HydrophobicContact CG2-CE1 3.94Å; V535-A558 PolarHBondContact O-N 3.16Å | ||
| 536 | L | 88.1 | Confident | 69.1 | Low | 72 Ų | 72 | 85.8 Ų | 85.8 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 147.2 | -179.9 | -62 | 175.3 | 0 | 0 | 0 | 111.5 | R538 A558 N560 I564 | L536-R538 PolarHBondContact O-N 3.28Å; L536-R538 VanDerWaalsContact O-N 3.09Å; L536-A558 CarbonylContact C-O 3.59Å; L536-A558 VanDerWaalsContact CA-O 3.31Å; L536-A558 WeakPolarHBondContact CA-O 3.24Å; L536-N560 VanDerWaalsContact CD2-C 3.46Å; L536-I564 HydrophobicContact CD2-CD1 3.61Å; L536-I564 HydrophobicContact CD2-CG1 4.37Å; L536-I564 HydrophobicContact CG-CD1 3.92Å |
| 537 | C | 87.4 | Confident | 69.4 | Low | 4 Ų | 4 | 80.8 Ų | 80.8 | 3% | 0.027 | 43% | 0.43 | C | S | . | . | trans | -68.1 | 106.8 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | E539 L540 L541 C555 F557 A558 Y559 | C537-E539 PolarHBondContact O-N 3.25Å; C537-L540 HydrophobicContact CB-CB 3.97Å; C537-L540 WeakPolarHBondContact O-CB 3.47Å; C537-L540 PolarHBondContact O-N 2.86Å; C537-L541 PolarHBondContact O-N 3.13Å; C537-L541 VanDerWaalsContact O-N 3.08Å; C537-C555 VanDerWaalsContact SG-SG 3.6Å; C537-F557 HydrophobicContact CB-CB 3.86Å; C537-A558 PolarHBondContact N-O 3.36Å; C537-Y559 HydrophobicContact CB-CD1 3.63Å; C537-Y559 HydrophobicContact CB-CE1 3.83Å | ||
| 538 | R | 83.3 | Confident | 70.2 | Confident | 133 Ų | 133 | 75.4 Ų | 75.4 | 50% | 0.502 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.6 | -30.4 | -177 | -167.8 | 174 | 178.4 | -142.7 | -5 | 113.5 | L536 N542 | L536-R538 PolarHBondContact O-N 3.28Å; L536-R538 VanDerWaalsContact O-N 3.09Å; R538-N542 VanDerWaalsContact O-CB 3.24Å; R538-N542 WeakPolarHBondContact O-CB 3.44Å; R538-N542 PolarHBondContact O-N 3.14Å; R538-N542 PolarHBondContact O-OD1 3.4Å; R538-N542 VanDerWaalsContact O-OD1 3.08Å |
| 539 | E | 79.1 | Confident | 71.8 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 23% | 0.229 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 172.9 | -62.8 | -173.4 | 174.9 | 0 | 0 | 112.1 | C537 N542 S543 C549 K550 Y551 | C537-E539 PolarHBondContact O-N 3.25Å; E539-N542 PolarHBondContact O-N 2.85Å; E539-S543 VanDerWaalsContact O-CB 3.28Å; E539-S543 WeakPolarHBondContact O-CB 3.44Å; E539-S543 PolarHBondContact O-N 3.21Å; E539-C549 HydrophobicContact CB-CB 4.48Å; E539-K550 VanDerWaalsContact OE1-CD 3.26Å; E539-K550 WeakPolarHBondContact OE1-CD 3.21Å; E539-K550 WeakPolarHBondContact OE1-CE 3.34Å; E539-K550 IonicContact OE1-NZ 2.66Å; E539-K550 PolarHBondContact OE1-NZ 2.74Å; E539-K550 VanDerWaalsContact OE2-CG 3.3Å; E539-K550 WeakPolarHBondContact OE2-CG 3.45Å; E539-K550 PolarHBondContact OE2-N 2.92Å; E539-Y551 VanDerWaalsContact OE1-CE2 3.29Å; E539-Y551 WeakPolarHBondContact OE1-CE2 3.26Å |
| 540 | L | 78.9 | Confident | 73.3 | Confident | 14 Ų | 14 | 77.4 Ų | 77.4 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | -179.8 | -160.1 | 68.4 | 0 | 0 | 0 | 110.5 | V488 Y489 C537 S543 G547 C549 Y559 | V488-L540 HydrophobicContact CB-CD1 4.39Å; Y489-L540 HydrophobicContact CE2-CD1 4.47Å; Y489-L540 HydrophobicContact CE2-CD2 3.57Å; Y489-L540 HydrophobicContact CE2-CG 4.05Å; Y489-L540 WeakPolarHBondContact OH-CD2 3.3Å; C537-L540 HydrophobicContact CB-CB 3.97Å; C537-L540 WeakPolarHBondContact O-CB 3.47Å; C537-L540 PolarHBondContact O-N 2.86Å; L540-S543 PolarHBondContact O-N 3Å; L540-S543 PolarHBondContact O-OG 2.85Å; L540-G547 VanDerWaalsContact CD1-C 3.45Å; L540-G547 WeakPolarHBondContact CD1-O 3.47Å; L540-C549 HydrophobicContact CD1-CB 4.2Å; L540-Y559 HydrophobicContact CD2-CD1 3.66Å; L540-Y559 HydrophobicContact CD2-CD2 4.24Å; L540-Y559 HydrophobicContact CD2-CE1 4.26Å; L540-Y559 HydrophobicContact CD2-CG 3.58Å |
| 541 | L | 76.9 | Confident | 74.3 | Confident | 127 Ų | 127 | 78.8 Ų | 78.8 | 67% | 0.665 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 174.3 | -171.1 | 67.4 | 0 | 0 | 0 | 112.4 | C537 S543 | C537-L541 PolarHBondContact O-N 3.13Å; C537-L541 VanDerWaalsContact O-N 3.08Å; L541-S543 VanDerWaalsContact C-N 3.3Å; L541-S543 PolarHBondContact O-N 3.06Å |
| 542 | N | 74.9 | Confident | 75.5 | Confident | 115 Ų | 115 | 74.5 Ų | 74.5 | 62% | 0.615 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -72.3 | -19.6 | 177.4 | -72.1 | 18.1 | 0 | 0 | 0 | 113.2 | R538 E539 G544 | R538-N542 VanDerWaalsContact O-CB 3.24Å; R538-N542 WeakPolarHBondContact O-CB 3.44Å; R538-N542 PolarHBondContact O-N 3.14Å; R538-N542 PolarHBondContact O-OD1 3.4Å; R538-N542 VanDerWaalsContact O-OD1 3.08Å; E539-N542 PolarHBondContact O-N 2.85Å; N542-G544 VanDerWaalsContact C-N 3.29Å; N542-G544 PolarHBondContact O-N 3.08Å |
| 543 | S | 65.4 | Low | 76 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 24% | 0.238 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -5.7 | -175.2 | 71.5 | 0 | 0 | 0 | 0 | 115.1 | E539 L540 L541 A546 G547 V548 | E539-S543 VanDerWaalsContact O-CB 3.28Å; E539-S543 WeakPolarHBondContact O-CB 3.44Å; E539-S543 PolarHBondContact O-N 3.21Å; L540-S543 PolarHBondContact O-N 3Å; L540-S543 PolarHBondContact O-OG 2.85Å; L541-S543 VanDerWaalsContact C-N 3.3Å; L541-S543 PolarHBondContact O-N 3.06Å; S543-A546 WeakPolarHBondContact O-CB 3.4Å; S543-A546 PolarHBondContact O-N 3.45Å; S543-G547 VanDerWaalsContact OG-CA 3.28Å; S543-G547 WeakPolarHBondContact OG-CA 3.26Å; S543-G547 PolarHBondContact OG-N 3.47Å; S543-V548 PolarHBondContact OG-N 3.43Å; S543-V548 VanDerWaalsContact OG-N 3.08Å |
| 544 | G | 64.9 | Low | 76.2 | Confident | 51 Ų | 51 | 77.8 Ų | 77.8 | 53% | 0.526 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | 53.6 | -140.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N542 A546 G547 | N542-G544 VanDerWaalsContact C-N 3.29Å; N542-G544 PolarHBondContact O-N 3.08Å; G544-A546 PolarHBondContact O-N 2.89Å; G544-A546 VanDerWaalsContact O-N 3.11Å; G544-G547 PolarHBondContact O-N 3.25Å |
| 545 | D | 56.1 | Low | 76.2 | Confident | 173 Ų | 173 | 77.1 Ų | 77.1 | 93% | 0.925 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.4 | -177 | -55.6 | -53.9 | 0 | 0 | 0 | 114.3 | G547 | D545-G547 VanDerWaalsContact C-N 3.29Å; D545-G547 PolarHBondContact O-N 2.88Å |
| 546 | A | 61.9 | Low | 76.1 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 49% | 0.488 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -66.1 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S487 S543 G544 V548 | S487-A546 WeakPolarHBondContact CA-O 3.48Å; S487-A546 WeakPolarHBondContact CB-O 3.39Å; S543-A546 WeakPolarHBondContact O-CB 3.4Å; S543-A546 PolarHBondContact O-N 3.45Å; G544-A546 PolarHBondContact O-N 2.89Å; G544-A546 VanDerWaalsContact O-N 3.11Å; A546-V548 HydrophobicContact CB-CG2 4.4Å; A546-V548 WeakPolarHBondContact O-CG2 3.41Å; A546-V548 PolarHBondContact O-N 2.87Å |
| 547 | G | 65.1 | Low | 76.1 | Confident | 6 Ų | 6 | 78.8 Ų | 78.8 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | trans | 53.7 | 47.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | V488 L540 S543 G544 D545 | V488-G547 WeakPolarHBondContact CB-O 3.39Å; V488-G547 WeakPolarHBondContact CG2-O 3.45Å; V488-G547 PolarHBondContact N-O 2.88Å; L540-G547 VanDerWaalsContact CD1-C 3.45Å; L540-G547 WeakPolarHBondContact CD1-O 3.47Å; S543-G547 VanDerWaalsContact OG-CA 3.28Å; S543-G547 WeakPolarHBondContact OG-CA 3.26Å; S543-G547 PolarHBondContact OG-N 3.47Å; G544-G547 PolarHBondContact O-N 3.25Å; D545-G547 VanDerWaalsContact C-N 3.29Å; D545-G547 PolarHBondContact O-N 2.88Å | ||
| 548 | V | 73.1 | Confident | 76.1 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | trans | -122.2 | 121.7 | -177.9 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | V488 S543 A546 | V488-V548 HydrophobicContact CG2-CG1 4.47Å; S543-V548 PolarHBondContact OG-N 3.43Å; S543-V548 VanDerWaalsContact OG-N 3.08Å; A546-V548 HydrophobicContact CB-CG2 4.4Å; A546-V548 WeakPolarHBondContact O-CG2 3.41Å; A546-V548 PolarHBondContact O-N 2.87Å | ||
| 549 | C | 81.6 | Confident | 76.2 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | trans | -98.7 | 134 | 167.2 | 165.9 | 0 | 0 | 0 | 0 | 109.8 | E539 L540 Y551 G552 Y559 | E539-C549 HydrophobicContact CB-CB 4.48Å; L540-C549 HydrophobicContact CD1-CB 4.2Å; C549-Y551 PolarHBondContact O-N 2.82Å; C549-G552 PolarHBondContact O-N 2.94Å; C549-G552 VanDerWaalsContact O-N 3.09Å; C549-Y559 HydrophobicContact CB-CE1 3.98Å; C549-Y559 WeakPolarHBondContact CB-OH 3.35Å; C549-Y559 PolarHBondContact SG-OH 2.96Å | ||
| 550 | K | 78.1 | Confident | 76.5 | Confident | 153 Ų | 153 | 71.7 Ų | 71.7 | 67% | 0.665 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.6 | -172.9 | 84 | -156.5 | -176.7 | -142.2 | 0 | 113.5 | E539 | E539-K550 VanDerWaalsContact OE1-CD 3.26Å; E539-K550 WeakPolarHBondContact OE1-CD 3.21Å; E539-K550 WeakPolarHBondContact OE1-CE 3.34Å; E539-K550 IonicContact OE1-NZ 2.66Å; E539-K550 PolarHBondContact OE1-NZ 2.74Å; E539-K550 VanDerWaalsContact OE2-CG 3.3Å; E539-K550 WeakPolarHBondContact OE2-CG 3.45Å; E539-K550 PolarHBondContact OE2-N 2.92Å |
| 551 | Y | 78.4 | Confident | 76.8 | Confident | 130 Ų | 130 | 75 Ų | 75 | 51% | 0.51 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -11.4 | 175.8 | -58.7 | -77 | 0 | 0 | 0 | 113.9 | E539 C549 E553 K554 | E539-Y551 VanDerWaalsContact OE1-CE2 3.29Å; E539-Y551 WeakPolarHBondContact OE1-CE2 3.26Å; C549-Y551 PolarHBondContact O-N 2.82Å; Y551-E553 PolarHBondContact O-N 2.85Å; Y551-K554 WeakPolarHBondContact O-CB 3.5Å; Y551-K554 PolarHBondContact O-N 2.93Å |
| 552 | G | 80.8 | Confident | 77.4 | Confident | 26 Ų | 26 | 69.9 Ų | 69.9 | 27% | 0.268 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | 53.1 | -135.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C549 K554 C555 Y559 | C549-G552 PolarHBondContact O-N 2.94Å; C549-G552 VanDerWaalsContact O-N 3.09Å; G552-K554 PolarHBondContact O-N 3.45Å; G552-K554 VanDerWaalsContact O-N 3.1Å; G552-C555 PolarHBondContact O-N 3.4Å; G552-Y559 PolarHBondContact O-OH 3.11Å |
| 553 | E | 76.4 | Confident | 78.1 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -64.8 | -15.1 | 179.7 | -60.1 | -159.7 | 134.8 | 0 | 0 | 114 | R520 Y551 | R520-E553 IonicContact CZ-OE1 2.72Å; R520-E553 IonicContact NH1-OE1 3.56Å; R520-E553 PolarHBondContact NH1-OE1 2.59Å; R520-E553 IonicContact NH2-OE1 2.69Å; R520-E553 PolarHBondContact NH2-OE1 3.36Å; Y551-E553 PolarHBondContact O-N 2.85Å |
| 554 | K | 78.8 | Confident | 79.2 | Confident | 188 Ų | 188 | 63.8 Ų | 63.8 | 82% | 0.817 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -84.7 | -1.7 | 177.4 | -57.5 | -178.3 | -179.1 | 178.2 | 0 | 113.9 | Y551 G552 T556 | Y551-K554 WeakPolarHBondContact O-CB 3.5Å; Y551-K554 PolarHBondContact O-N 2.93Å; G552-K554 PolarHBondContact O-N 3.45Å; G552-K554 VanDerWaalsContact O-N 3.1Å; K554-T556 PolarHBondContact O-N 3.41Å |
| 555 | C | 84.9 | Confident | 80.3 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | trans | -65.9 | 125.8 | -180 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | R522 C537 G552 Y559 | R522-C555 PolarHBondContact NH1-O 2.95Å; C537-C555 VanDerWaalsContact SG-SG 3.6Å; G552-C555 PolarHBondContact O-N 3.4Å; C555-Y559 HydrophobicContact CB-CE1 3.64Å; C555-Y559 WeakPolarHBondContact CB-OH 3.27Å | ||
| 556 | T | 84.8 | Confident | 81.8 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | trans | -79 | -16.6 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 114.2 | P525 K554 | P525-T556 HydrophobicContact CB-CG2 4.22Å; K554-T556 PolarHBondContact O-N 3.41Å | ||
| 557 | F | 87.7 | Confident | 83.1 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 45% | 0.447 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -81.5 | 150.3 | 174.9 | -63.5 | -80.4 | 0 | 0 | 0 | 111 | R522 V535 C537 | R522-F557 PolarHBondContact NH2-O 2.94Å; V535-F557 HydrophobicContact CG2-CD1 3.74Å; V535-F557 HydrophobicContact CG2-CE1 3.94Å; C537-F557 HydrophobicContact CB-CB 3.86Å |
| 558 | A | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -71.9 | 146 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V535 L536 C537 E563 I564 W567 | V535-A558 PolarHBondContact O-N 3.16Å; L536-A558 CarbonylContact C-O 3.59Å; L536-A558 VanDerWaalsContact CA-O 3.31Å; L536-A558 WeakPolarHBondContact CA-O 3.24Å; C537-A558 PolarHBondContact N-O 3.36Å; A558-E563 HydrophobicContact CB-CB 3.97Å; A558-I564 HydrophobicContact CB-CD1 4.29Å; A558-I564 HydrophobicContact CB-CG1 3.42Å; A558-I564 VanDerWaalsContact CB-CG1 3.42Å; A558-W567 HydrophobicContact CB-CE3 4Å; A558-W567 HydrophobicContact CB-CZ3 3.88Å |
| 559 | Y | 85.5 | Confident | 84.6 | Confident | 15 Ų | 15 | 50.5 Ų | 50.5 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -87.9 | -41.8 | -178.8 | -73.4 | -13.6 | 0 | 0 | 0 | 111.6 | V488 Y489 C537 L540 C549 G552 C555 E563 | V488-Y559 HydrophobicContact CG1-CD2 4.01Å; V488-Y559 HydrophobicContact CG1-CE2 3.56Å; Y489-Y559 WeakPolarHBondContact OH-CB 3.43Å; Y489-Y559 PolarHBondContact OH-O 3Å; C537-Y559 HydrophobicContact CB-CD1 3.63Å; C537-Y559 HydrophobicContact CB-CE1 3.83Å; L540-Y559 HydrophobicContact CD2-CD1 3.66Å; L540-Y559 HydrophobicContact CD2-CD2 4.24Å; L540-Y559 HydrophobicContact CD2-CE1 4.26Å; L540-Y559 HydrophobicContact CD2-CG 3.58Å; C549-Y559 HydrophobicContact CB-CE1 3.98Å; C549-Y559 WeakPolarHBondContact CB-OH 3.35Å; C549-Y559 PolarHBondContact SG-OH 2.96Å; G552-Y559 PolarHBondContact O-OH 3.11Å; C555-Y559 HydrophobicContact CB-CE1 3.64Å; C555-Y559 WeakPolarHBondContact CB-OH 3.27Å; Y559-E563 WeakPolarHBondContact CB-OE2 3.44Å; Y559-E563 PolarHBondContact N-OE2 3.49Å |
| 560 | N | 84.3 | Confident | 84.7 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -134.6 | 172.3 | 179.3 | 52.6 | 52 | 0 | 0 | 0 | 110.8 | T519 L536 L562 E563 I564 | T519-N560 WeakPolarHBondContact CG2-ND2 3.49Å; L536-N560 VanDerWaalsContact CD2-C 3.46Å; N560-L562 PolarHBondContact O-N 3.33Å; N560-L562 WeakPolarHBondContact OD1-CB 3.44Å; N560-L562 PolarHBondContact OD1-N 2.91Å; N560-L562 VanDerWaalsContact OD1-N 3.17Å; N560-E563 PolarHBondContact O-N 2.95Å; N560-E563 PolarHBondContact OD1-N 2.91Å; N560-I564 PolarHBondContact O-N 3.32Å |
| 561 | Q | 86.1 | Confident | 84.8 | Confident | 82 Ų | 82 | 46 Ų | 46 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -28.1 | 178.2 | -169.9 | 59.7 | 41.2 | 0 | 0 | 112.9 | R510 I564 D565 | R510-Q561 VanDerWaalsContact NH2-CG 3.33Å; Q561-I564 WeakPolarHBondContact O-CB 3.45Å; Q561-I564 PolarHBondContact O-N 3.46Å; Q561-D565 PolarHBondContact NE2-OD1 2.91Å; Q561-D565 WeakPolarHBondContact O-CB 3.41Å; Q561-D565 PolarHBondContact O-N 2.98Å |
| 562 | L | 88.2 | Confident | 84.6 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | 177.3 | -59.7 | 168 | 0 | 0 | 0 | 111.8 | H471 R510 T519 V521 N560 V566 | H471-L562 VanDerWaalsContact CD2-CD2 3.44Å; H471-L562 WeakPolarHBondContact CD2-CD2 3.2Å; H471-L562 WeakPolarHBondContact NE2-CD2 3.41Å; R510-L562 HydrophobicContact CG-CD2 3.85Å; T519-L562 HydrophobicContact CG2-CD1 4.08Å; V521-L562 HydrophobicContact CG2-CB 4.36Å; N560-L562 PolarHBondContact O-N 3.33Å; N560-L562 WeakPolarHBondContact OD1-CB 3.44Å; N560-L562 PolarHBondContact OD1-N 2.91Å; N560-L562 VanDerWaalsContact OD1-N 3.17Å; L562-V566 WeakPolarHBondContact O-CB 3.42Å; L562-V566 VanDerWaalsContact O-CG2 3.28Å; L562-V566 WeakPolarHBondContact O-CG2 3.34Å; L562-V566 PolarHBondContact O-N 3.33Å |
| 563 | E | 90.2 | Very high | 84 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 169.7 | -74.1 | -168.3 | 155.3 | 0 | 0 | 111.7 | V521 R522 A558 Y559 N560 W567 | V521-E563 HydrophobicContact CB-CG 4.35Å; V521-E563 HydrophobicContact CG1-CG 4.05Å; V521-E563 HydrophobicContact CG2-CG 4.48Å; R522-E563 VanDerWaalsContact CB-OE1 3.24Å; R522-E563 WeakPolarHBondContact CB-OE1 3.29Å; R522-E563 WeakPolarHBondContact CG-OE1 3.4Å; R522-E563 IonicContact CZ-OE1 3.78Å; R522-E563 IonicContact CZ-OE2 3.4Å; R522-E563 PolarHBondContact N-OE1 3Å; R522-E563 IonicContact NE-OE1 2.72Å; R522-E563 PolarHBondContact NE-OE1 3.28Å; R522-E563 IonicContact NE-OE2 3.52Å; R522-E563 PolarHBondContact NE-OE2 3.24Å; R522-E563 IonicContact NH2-OE1 3.98Å; R522-E563 IonicContact NH2-OE2 2.74Å; R522-E563 PolarHBondContact NH2-OE2 2.98Å; A558-E563 HydrophobicContact CB-CB 3.97Å; Y559-E563 WeakPolarHBondContact CB-OE2 3.44Å; Y559-E563 PolarHBondContact N-OE2 3.49Å; N560-E563 PolarHBondContact O-N 2.95Å; N560-E563 PolarHBondContact OD1-N 2.91Å; E563-W567 WeakPolarHBondContact O-CB 3.32Å; E563-W567 PolarHBondContact O-N 2.85Å |
| 564 | I | 88.1 | Confident | 83.8 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 174.6 | -66.5 | 177.8 | 0 | 0 | 0 | 110.8 | F534 L536 A558 N560 Q561 T568 | F534-I564 HydrophobicContact CB-CG1 4.11Å; F534-I564 HydrophobicContact CB-CG2 4.26Å; L536-I564 HydrophobicContact CD2-CD1 3.61Å; L536-I564 HydrophobicContact CD2-CG1 4.37Å; L536-I564 HydrophobicContact CG-CD1 3.92Å; A558-I564 HydrophobicContact CB-CD1 4.29Å; A558-I564 HydrophobicContact CB-CG1 3.42Å; A558-I564 VanDerWaalsContact CB-CG1 3.42Å; N560-I564 PolarHBondContact O-N 3.32Å; Q561-I564 WeakPolarHBondContact O-CB 3.45Å; Q561-I564 PolarHBondContact O-N 3.46Å; I564-T568 WeakPolarHBondContact O-CB 3.32Å; I564-T568 PolarHBondContact O-N 2.79Å; I564-T568 PolarHBondContact O-OG1 3Å |
| 565 | D | 88.3 | Confident | 83.9 | Confident | 30 Ų | 30 | 34 Ų | 34 | 16% | 0.16 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | -176.8 | -65.3 | -14.8 | 0 | 0 | 0 | 110.8 | L467 H471 R510 Q561 E569 | L467-D565 HydrophobicContact CD1-CB 4.46Å; H471-D565 IonicContact CE1-OD2 2.78Å; H471-D565 IonicContact NE2-OD2 3.58Å; H471-D565 PolarHBondContact NE2-OD2 3.06Å; R510-D565 IonicContact CZ-OD2 3.71Å; R510-D565 IonicContact NE-OD2 2.83Å; R510-D565 IonicContact NH2-OD1 2.67Å; R510-D565 IonicContact NH2-OD2 3.13Å; R510-D565 PolarHBondContact NH2-OD2 3.05Å; Q561-D565 PolarHBondContact NE2-OD1 2.91Å; Q561-D565 WeakPolarHBondContact O-CB 3.41Å; Q561-D565 PolarHBondContact O-N 2.98Å; D565-E569 PolarHBondContact O-N 3.11Å |
| 566 | V | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.8 | -50.7 | 179 | 174.6 | 0 | 0 | 0 | 0 | 112 | L467 F473 L506 V521 L562 T568 E569 E570 L575 | L467-V566 HydrophobicContact CD1-CG2 3.98Å; F473-V566 HydrophobicContact CE1-CG2 3.72Å; F473-V566 HydrophobicContact CZ-CG2 4.18Å; L506-V566 HydrophobicContact CD2-CG1 4.46Å; V521-V566 HydrophobicContact CG1-CB 3.98Å; V521-V566 HydrophobicContact CG1-CG1 3.94Å; V521-V566 HydrophobicContact CG1-CG2 4.31Å; L562-V566 WeakPolarHBondContact O-CB 3.42Å; L562-V566 VanDerWaalsContact O-CG2 3.28Å; L562-V566 WeakPolarHBondContact O-CG2 3.34Å; L562-V566 PolarHBondContact O-N 3.33Å; V566-T568 PolarHBondContact O-N 3.17Å; V566-E569 PolarHBondContact O-N 2.53Å; V566-E569 VanDerWaalsContact O-N 3.07Å; V566-E570 HydrophobicContact CG1-CG 4.08Å; V566-E570 WeakPolarHBondContact O-CG 3.4Å; V566-E570 PolarHBondContact O-N 3.45Å; V566-L575 HydrophobicContact CG1-CD2 4.11Å |
| 567 | W | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -30.6 | 179.9 | -70.2 | -3.1 | 0 | 0 | 0 | 112.2 | R522 L524 P525 F534 A558 E563 R571 | R522-W567 HydrophobicContact CB-CZ2 4.25Å; R522-W567 PolarHBondContact O-NE1 3.37Å; L524-W567 HydrophobicContact CD1-CB 4.05Å; L524-W567 HydrophobicContact CD1-CD2 4.23Å; L524-W567 HydrophobicContact CD1-CE3 4.47Å; L524-W567 HydrophobicContact CD1-CG 4.06Å; P525-W567 HydrophobicContact CG-CH2 3.72Å; P525-W567 HydrophobicContact CG-CZ2 4.15Å; P525-W567 HydrophobicContact CG-CZ3 4.18Å; F534-W567 AromaticContact CD1-CE3 3.66Å; F534-W567 HydrophobicContact CD1-CE3 3.66Å; F534-W567 HydrophobicContact CD1-CZ3 4.3Å; F534-W567 HydrophobicContact CD2-CB 4.06Å; F534-W567 HydrophobicContact CE1-CB 4.23Å; F534-W567 AromaticContact CE1-CE3 3.74Å; F534-W567 HydrophobicContact CE1-CE3 3.74Å; F534-W567 HydrophobicContact CE1-CZ3 4.47Å; F534-W567 VanDerWaalsContact CE2-C 3.49Å; F534-W567 HydrophobicContact CE2-CB 3.68Å; F534-W567 WeakPolarHBondContact CE2-O 3.24Å; F534-W567 HydrophobicContact CG-CB 4.48Å; F534-W567 HydrophobicContact CG-CE3 4.28Å; F534-W567 HydrophobicContact CZ-CB 3.76Å; F534-W567 HydrophobicContact CZ-CE3 4.42Å; A558-W567 HydrophobicContact CB-CE3 4Å; A558-W567 HydrophobicContact CB-CZ3 3.88Å; E563-W567 WeakPolarHBondContact O-CB 3.32Å; E563-W567 PolarHBondContact O-N 2.85Å; W567-R571 WeakPolarHBondContact O-CB 3.46Å; W567-R571 PolarHBondContact O-N 2.98Å |
| 568 | T | 85.6 | Confident | 82.7 | Confident | 38 Ų | 38 | 33.9 Ų | 33.9 | 23% | 0.233 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.9 | -67 | 0 | 0 | 0 | 0 | 111.9 | I564 V566 K572 | I564-T568 WeakPolarHBondContact O-CB 3.32Å; I564-T568 PolarHBondContact O-N 2.79Å; I564-T568 PolarHBondContact O-OG1 3Å; V566-T568 PolarHBondContact O-N 3.17Å; T568-K572 HydrophobicContact CG2-CD 4.39Å; T568-K572 VanDerWaalsContact CG2-CE 3.46Å; T568-K572 VanDerWaalsContact CG2-NZ 3.31Å; T568-K572 WeakPolarHBondContact O-CD 3.27Å; T568-K572 VanDerWaalsContact O-CG 3.23Å; T568-K572 WeakPolarHBondContact O-CG 3.37Å; T568-K572 PolarHBondContact O-N 3.33Å |
| 569 | E | 84.3 | Confident | 82.1 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -82.4 | -30.4 | 180 | -63 | -56.6 | 127.7 | 0 | 0 | 113.2 | P466 L467 D565 V566 K572 G573 R574 L575 | P466-E569 HydrophobicContact CG-CB 4.16Å; P466-E569 HydrophobicContact CG-CG 4.06Å; L467-E569 HydrophobicContact CD1-CG 4.34Å; L467-E569 HydrophobicContact CD2-CG 4.18Å; L467-E569 HydrophobicContact CG-CG 4.17Å; D565-E569 PolarHBondContact O-N 3.11Å; V566-E569 PolarHBondContact O-N 2.53Å; V566-E569 VanDerWaalsContact O-N 3.07Å; E569-K572 WeakPolarHBondContact OE1-CD 3.31Å; E569-K572 IonicContact OE1-NZ 3.5Å; E569-K572 PolarHBondContact OE1-NZ 3.11Å; E569-G573 PolarHBondContact O-N 3.07Å; E569-R574 PolarHBondContact O-N 2.87Å; E569-R574 IonicContact OE1-CZ 3.68Å; E569-R574 IonicContact OE1-NH2 2.73Å; E569-R574 PolarHBondContact OE1-NH2 2.94Å; E569-R574 IonicContact OE2-CZ 3.5Å; E569-R574 IonicContact OE2-NE 3.16Å; E569-R574 PolarHBondContact OE2-NE 3.33Å; E569-R574 IonicContact OE2-NH2 2.71Å; E569-R574 PolarHBondContact OE2-NH2 3.4Å; E569-L575 HydrophobicContact CB-CB 3.75Å; E569-L575 HydrophobicContact CB-CD2 4.09Å; E569-L575 PolarHBondContact O-N 3.2Å |
| 570 | E | 84.6 | Confident | 81.7 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 166.4 | -71.4 | -178 | 146.1 | 0 | 0 | 111 | V566 K572 G573 R577 | V566-E570 HydrophobicContact CG1-CG 4.08Å; V566-E570 WeakPolarHBondContact O-CG 3.4Å; V566-E570 PolarHBondContact O-N 3.45Å; E570-K572 VanDerWaalsContact C-N 3.32Å; E570-K572 PolarHBondContact O-N 3.48Å; E570-G573 PolarHBondContact O-N 2.68Å; E570-R577 VanDerWaalsContact CD-NH1 3.31Å; E570-R577 VanDerWaalsContact OE1-CB 3.3Å; E570-R577 WeakPolarHBondContact OE1-CB 3.22Å; E570-R577 VanDerWaalsContact OE1-CD 3.26Å; E570-R577 WeakPolarHBondContact OE1-CD 3.31Å; E570-R577 VanDerWaalsContact OE1-CG 3.24Å; E570-R577 WeakPolarHBondContact OE1-CG 3.37Å; E570-R577 IonicContact OE1-CZ 2.68Å; E570-R577 IonicContact OE1-NE 3.96Å; E570-R577 IonicContact OE1-NH1 2.64Å; E570-R577 PolarHBondContact OE1-NH1 2.85Å; E570-R577 IonicContact OE2-NH1 3.5Å; E570-R577 PolarHBondContact OE2-NH1 3.42Å |
| 571 | R | 79.3 | Confident | 81.5 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 177.9 | -173.4 | -165.5 | -72.2 | -174.2 | 2.1 | 111.2 | F530 Y531 G532 F534 W567 G573 R699 | F530-R571 PolarHBondContact O-NH1 3.02Å; F530-R571 PolarHBondContact O-NH2 3.18Å; Y531-R571 PolarHBondContact O-NH1 3.23Å; G532-R571 PolarHBondContact O-NH1 2.95Å; G532-R571 PolarHBondContact O-NH2 3.5Å; F534-R571 HydrophobicContact CE2-CB 4.25Å; F534-R571 HydrophobicContact CZ-CB 4.41Å; F534-R571 VanDerWaalsContact CZ-NE 3.29Å; W567-R571 WeakPolarHBondContact O-CB 3.46Å; W567-R571 PolarHBondContact O-N 2.98Å; R571-G573 PolarHBondContact O-N 3.18Å; R571-R699 PolarHBondContact O-NH2 2.84Å |
| 572 | K | 73.6 | Confident | 80.2 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 29% | 0.291 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.4 | 178.3 | -66.9 | 167.1 | -168.6 | 171.1 | 0 | 114.1 | T568 E569 E570 R574 | T568-K572 HydrophobicContact CG2-CD 4.39Å; T568-K572 VanDerWaalsContact CG2-CE 3.46Å; T568-K572 VanDerWaalsContact CG2-NZ 3.31Å; T568-K572 WeakPolarHBondContact O-CD 3.27Å; T568-K572 VanDerWaalsContact O-CG 3.23Å; T568-K572 WeakPolarHBondContact O-CG 3.37Å; T568-K572 PolarHBondContact O-N 3.33Å; E569-K572 WeakPolarHBondContact OE1-CD 3.31Å; E569-K572 IonicContact OE1-NZ 3.5Å; E569-K572 PolarHBondContact OE1-NZ 3.11Å; E570-K572 VanDerWaalsContact C-N 3.32Å; E570-K572 PolarHBondContact O-N 3.48Å; K572-R574 HydrophobicContact CB-CG 4Å; K572-R574 PolarHBondContact O-N 3.4Å |
| 573 | G | 69.1 | Low | 78.4 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 19% | 0.186 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 27.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E569 E570 R571 | E569-G573 PolarHBondContact O-N 3.07Å; E570-G573 PolarHBondContact O-N 2.68Å; R571-G573 PolarHBondContact O-N 3.18Å |
| 574 | R | 73.3 | Confident | 76.2 | Confident | 126 Ų | 126 | 43 Ų | 43 | 48% | 0.475 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -99.3 | -12.4 | 175.3 | -59.2 | -163.1 | -58.1 | -170.5 | 6.6 | 112.6 | P466 E569 K572 | P466-R574 VanDerWaalsContact CD-O 3.25Å; P466-R574 WeakPolarHBondContact CD-O 3.33Å; P466-R574 HydrophobicContact CG-CB 4.1Å; E569-R574 PolarHBondContact O-N 2.87Å; E569-R574 IonicContact OE1-CZ 3.68Å; E569-R574 IonicContact OE1-NH2 2.73Å; E569-R574 PolarHBondContact OE1-NH2 2.94Å; E569-R574 IonicContact OE2-CZ 3.5Å; E569-R574 IonicContact OE2-NE 3.16Å; E569-R574 PolarHBondContact OE2-NE 3.33Å; E569-R574 IonicContact OE2-NH2 2.71Å; E569-R574 PolarHBondContact OE2-NH2 3.4Å; K572-R574 HydrophobicContact CB-CG 4Å; K572-R574 PolarHBondContact O-N 3.4Å |
| 575 | L | 79.8 | Confident | 74.1 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | trans | -130.5 | 121.7 | 176.4 | -173.1 | 57.6 | 0 | 0 | 0 | 109.1 | N465 L467 V566 E569 L580 | N465-L575 HydrophobicContact CB-CD1 4.15Å; N465-L575 VanDerWaalsContact OD1-CD1 3.31Å; N465-L575 WeakPolarHBondContact OD1-CD1 3.35Å; L467-L575 HydrophobicContact CD1-CD2 3.96Å; V566-L575 HydrophobicContact CG1-CD2 4.11Å; E569-L575 HydrophobicContact CB-CB 3.75Å; E569-L575 HydrophobicContact CB-CD2 4.09Å; E569-L575 PolarHBondContact O-N 3.2Å; L575-L580 HydrophobicContact CD1-CD1 3.9Å; L575-L580 HydrophobicContact CD1-CD2 4.06Å; L575-L580 HydrophobicContact CD1-CG 4.08Å; L575-L580 HydrophobicContact CD2-CD1 4.12Å; L575-L580 HydrophobicContact CG-CD1 4.07Å | ||
| 576 | D | 77.3 | Confident | 72.3 | Confident | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | trans | -94.6 | 131.4 | 167.8 | 165.4 | 44.2 | 0 | 0 | 0 | 110 | H578 S579 | D576-H578 IonicContact OD1-CD2 2.61Å; D576-H578 PolarHBondContact OD1-CD2 3.17Å; D576-H578 IonicContact OD1-CG 3.47Å; D576-H578 PolarHBondContact OD1-N 2.97Å; D576-H578 PolarHBondContact OD2-N 3.12Å; D576-S579 VanDerWaalsContact OD2-CB 3.26Å; D576-S579 WeakPolarHBondContact OD2-CB 3.38Å; D576-S579 PolarHBondContact OD2-N 2.82Å; D576-S579 PolarHBondContact OD2-OG 3.26Å | ||
| 577 | R | 81.8 | Confident | 70.7 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.4 | -34.3 | 179.6 | -156.9 | -178.8 | -169.9 | 93.6 | 2.2 | 113.2 | L506 V521 R522 E570 L580 L581 | L506-R577 HydrophobicContact CD2-CG 4.34Å; V521-R577 PolarHBondContact O-NH2 3.27Å; R522-R577 PolarHBondContact O-NH1 3.42Å; R522-R577 VanDerWaalsContact O-NH1 3.08Å; R522-R577 PolarHBondContact O-NH2 2.94Å; E570-R577 VanDerWaalsContact CD-NH1 3.31Å; E570-R577 VanDerWaalsContact OE1-CB 3.3Å; E570-R577 WeakPolarHBondContact OE1-CB 3.22Å; E570-R577 VanDerWaalsContact OE1-CD 3.26Å; E570-R577 WeakPolarHBondContact OE1-CD 3.31Å; E570-R577 VanDerWaalsContact OE1-CG 3.24Å; E570-R577 WeakPolarHBondContact OE1-CG 3.37Å; E570-R577 IonicContact OE1-CZ 2.68Å; E570-R577 IonicContact OE1-NE 3.96Å; E570-R577 IonicContact OE1-NH1 2.64Å; E570-R577 PolarHBondContact OE1-NH1 2.85Å; E570-R577 IonicContact OE2-NH1 3.5Å; E570-R577 PolarHBondContact OE2-NH1 3.42Å; R577-L580 PolarHBondContact O-N 2.78Å; R577-L581 WeakPolarHBondContact O-CG 3.35Å; R577-L581 PolarHBondContact O-N 2.9Å; R577-L581 VanDerWaalsContact O-N 3.16Å |
| 578 | H | 73.8 | Confident | 69.3 | Low | 100 Ų | 100 | 60.9 Ų | 60.9 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | -176.3 | -65.7 | -81.2 | 0 | 0 | 0 | 110.7 | D576 L580 L581 A585 | D576-H578 IonicContact OD1-CD2 2.61Å; D576-H578 PolarHBondContact OD1-CD2 3.17Å; D576-H578 IonicContact OD1-CG 3.47Å; D576-H578 PolarHBondContact OD1-N 2.97Å; D576-H578 PolarHBondContact OD2-N 3.12Å; H578-L580 VanDerWaalsContact C-N 3.3Å; H578-L580 PolarHBondContact O-N 3.42Å; H578-L581 PolarHBondContact O-N 3.38Å; H578-L581 VanDerWaalsContact O-N 3.11Å; H578-A585 HydrophobicContact CB-CB 4.26Å |
| 579 | S | 73.9 | Confident | 69 | Low | 78 Ų | 78 | 62.7 Ų | 62.7 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.9 | -39.1 | 170.6 | -61 | 0 | 0 | 0 | 0 | 113.1 | D576 | D576-S579 VanDerWaalsContact OD2-CB 3.26Å; D576-S579 WeakPolarHBondContact OD2-CB 3.38Å; D576-S579 PolarHBondContact OD2-N 2.82Å; D576-S579 PolarHBondContact OD2-OG 3.26Å |
| 580 | L | 78.3 | Confident | 68.7 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.5 | -30.6 | 176 | -65.9 | -177.4 | 0 | 0 | 0 | 113.7 | N465 F473 L506 L575 R577 H578 G582 | N465-L580 WeakPolarHBondContact ND2-CD2 3.45Å; F473-L580 HydrophobicContact CB-CD2 4.44Å; F473-L580 HydrophobicContact CD1-CD1 3.85Å; F473-L580 HydrophobicContact CD2-CD2 4.15Å; F473-L580 HydrophobicContact CE1-CD1 3.96Å; F473-L580 HydrophobicContact CG-CD1 4.23Å; F473-L580 HydrophobicContact CG-CD2 4.12Å; F473-L580 HydrophobicContact CZ-CD1 4.47Å; L506-L580 HydrophobicContact CD1-CB 3.93Å; L506-L580 HydrophobicContact CD1-CD1 4.31Å; L506-L580 HydrophobicContact CD2-CD1 3.93Å; L575-L580 HydrophobicContact CD1-CD1 3.9Å; L575-L580 HydrophobicContact CD1-CD2 4.06Å; L575-L580 HydrophobicContact CD1-CG 4.08Å; L575-L580 HydrophobicContact CD2-CD1 4.12Å; L575-L580 HydrophobicContact CG-CD1 4.07Å; R577-L580 PolarHBondContact O-N 2.78Å; H578-L580 VanDerWaalsContact C-N 3.3Å; H578-L580 PolarHBondContact O-N 3.42Å; L580-G582 PolarHBondContact O-N 2.95Å |
| 581 | L | 78.9 | Confident | 68.7 | Low | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6.6 | -177.8 | -71.2 | 175 | 0 | 0 | 0 | 113 | P475 R503 L506 R577 H578 S583 | P475-L581 HydrophobicContact CB-CD2 4.31Å; P475-L581 WeakPolarHBondContact CB-O 3.43Å; R503-L581 WeakPolarHBondContact CB-O 3.4Å; R503-L581 WeakPolarHBondContact CD-O 3.44Å; R503-L581 WeakPolarHBondContact O-CD2 3.36Å; L506-L581 HydrophobicContact CB-CD2 3.88Å; L506-L581 HydrophobicContact CD1-CD2 4.02Å; R577-L581 WeakPolarHBondContact O-CG 3.35Å; R577-L581 PolarHBondContact O-N 2.9Å; R577-L581 VanDerWaalsContact O-N 3.16Å; H578-L581 PolarHBondContact O-N 3.38Å; H578-L581 VanDerWaalsContact O-N 3.11Å; L581-S583 PolarHBondContact O-N 3.34Å; L581-S583 VanDerWaalsContact O-N 3.12Å |
| 582 | G | 59 | Low | 68.9 | Low | 38 Ų | 38 | 66.1 Ų | 66.1 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 19.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R503 L580 | R503-G582 PolarHBondContact NH1-O 3.24Å; L580-G582 PolarHBondContact O-N 2.95Å |
| 583 | S | 50.6 | Low | 69.5 | Low | 56 Ų | 56 | 63.5 Ų | 63.5 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79.1 | 132 | 155 | -63.3 | 0 | 0 | 0 | 0 | 106.6 | L581 A585 | L581-S583 PolarHBondContact O-N 3.34Å; L581-S583 VanDerWaalsContact O-N 3.12Å; S583-A585 PolarHBondContact O-N 3.04Å |
| 584 | S | 43.2 | Very low | 70.4 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 83% | 0.825 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 120 | 159.5 | -174.1 | 0 | 0 | 0 | 0 | 106.5 | ||
| 585 | A | 45.2 | Very low | 71.1 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 130.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | H578 S583 Q587 | H578-A585 HydrophobicContact CB-CB 4.26Å; S583-A585 PolarHBondContact O-N 3.04Å; A585-Q587 PolarHBondContact O-N 2.74Å |
| 586 | P | 49.1 | Very low | 71.3 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 119.7 | 169 | 25.4 | -31.8 | 0 | 0 | 0 | 105.6 | L588 | P586-L588 VanDerWaalsContact C-N 3.27Å; P586-L588 HydrophobicContact CG-CD2 4.42Å; P586-L588 PolarHBondContact O-N 2.72Å |
| 587 | Q | 55.2 | Low | 71.8 | Confident | 191 Ų | 191 | 61 Ų | 61 | 89% | 0.893 | 36% | 0.362 | S | S | * | . | trans | -54.8 | 98.9 | 174.1 | -81.5 | -97.3 | -4 | 0 | 0 | 106 | A585 D589 | A585-Q587 PolarHBondContact O-N 2.74Å; Q587-D589 PolarHBondContact O-N 3.48Å | ||
| 588 | L | 59.5 | Low | 72.2 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | trans | -65.8 | 110.9 | -169.9 | -75 | 177.7 | 0 | 0 | 0 | 106.3 | P586 P590 T704 | P586-L588 VanDerWaalsContact C-N 3.27Å; P586-L588 HydrophobicContact CG-CD2 4.42Å; P586-L588 PolarHBondContact O-N 2.72Å; L588-P590 WeakPolarHBondContact O-CD 2.82Å; L588-P590 VanDerWaalsContact O-N 3.07Å; L588-T704 HydrophobicContact CB-CG2 4.45Å; L588-T704 WeakPolarHBondContact O-CG2 3.13Å | ||
| 589 | D | 78.5 | Confident | 72.7 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | trans | -51.4 | 121.5 | -179.3 | 163.3 | 30.4 | 0 | 0 | 0 | 107.6 | Q587 V591 S592 S593 | Q587-D589 PolarHBondContact O-N 3.48Å; D589-V591 PolarHBondContact O-N 3.05Å; D589-V591 VanDerWaalsContact O-N 3.12Å; D589-V591 WeakPolarHBondContact OD1-CB 3.35Å; D589-V591 PolarHBondContact OD1-N 2.86Å; D589-V591 WeakPolarHBondContact OD2-CB 3.47Å; D589-S592 PolarHBondContact O-N 3.45Å; D589-S592 PolarHBondContact O-OG 3.22Å; D589-S592 PolarHBondContact OD2-N 3.08Å; D589-S593 WeakPolarHBondContact O-CB 3.47Å; D589-S593 PolarHBondContact O-N 2.94Å; D589-S593 PolarHBondContact O-OG 2.9Å | ||
| 590 | P | 79.4 | Confident | 73.2 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -53.3 | -35 | 179 | -19.9 | 24.7 | 0 | 0 | 0 | 111.3 | L588 I594 I706 | L588-P590 WeakPolarHBondContact O-CD 2.82Å; L588-P590 VanDerWaalsContact O-N 3.07Å; P590-I594 VanDerWaalsContact O-CD1 3.27Å; P590-I594 WeakPolarHBondContact O-CD1 3.46Å; P590-I594 VanDerWaalsContact O-CG1 3.28Å; P590-I594 WeakPolarHBondContact O-CG1 3.47Å; P590-I594 PolarHBondContact O-N 3.17Å; P590-I706 HydrophobicContact CB-CB 4.18Å; P590-I706 HydrophobicContact CB-CD1 3.43Å; P590-I706 VanDerWaalsContact CB-CD1 3.43Å; P590-I706 HydrophobicContact CB-CG1 4.34Å |
| 591 | V | 84.1 | Confident | 73.5 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.4 | -50.1 | -179 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | D589 S593 I594 I595 V714 | D589-V591 PolarHBondContact O-N 3.05Å; D589-V591 VanDerWaalsContact O-N 3.12Å; D589-V591 WeakPolarHBondContact OD1-CB 3.35Å; D589-V591 PolarHBondContact OD1-N 2.86Å; D589-V591 WeakPolarHBondContact OD2-CB 3.47Å; V591-S593 VanDerWaalsContact C-N 3.34Å; V591-S593 PolarHBondContact O-N 3.3Å; V591-I594 PolarHBondContact O-N 3.32Å; V591-I595 HydrophobicContact CG1-CD1 3.89Å; V591-I595 WeakPolarHBondContact O-CB 3.08Å; V591-I595 VanDerWaalsContact O-CG1 3.29Å; V591-I595 WeakPolarHBondContact O-CG1 3.5Å; V591-I595 PolarHBondContact O-N 2.95Å; V591-V714 HydrophobicContact CB-CG2 4.42Å; V591-V714 HydrophobicContact CG1-CG1 3.89Å; V591-V714 HydrophobicContact CG1-CG2 4.16Å; V591-V714 HydrophobicContact CG2-CG2 4.03Å |
| 592 | S | 84 | Confident | 73.8 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 174.9 | 81.1 | 0 | 0 | 0 | 0 | 111.8 | D589 I594 I595 D596 | D589-S592 PolarHBondContact O-N 3.45Å; D589-S592 PolarHBondContact O-OG 3.22Å; D589-S592 PolarHBondContact OD2-N 3.08Å; S592-I594 VanDerWaalsContact C-N 3.28Å; S592-I594 PolarHBondContact O-N 3.31Å; S592-I595 CarbonylContact O-C 3.3Å; S592-I595 WeakPolarHBondContact O-CA 3.34Å; S592-I595 WeakPolarHBondContact O-CB 3.45Å; S592-I595 PolarHBondContact O-N 3.1Å; S592-D596 VanDerWaalsContact O-CG 3.28Å; S592-D596 PolarHBondContact O-N 3.24Å |
| 593 | S | 85.7 | Confident | 75.2 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -38.3 | -179.5 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | D589 V591 L597 | D589-S593 WeakPolarHBondContact O-CB 3.47Å; D589-S593 PolarHBondContact O-N 2.94Å; D589-S593 PolarHBondContact O-OG 2.9Å; V591-S593 VanDerWaalsContact C-N 3.34Å; V591-S593 PolarHBondContact O-N 3.3Å; S593-L597 WeakPolarHBondContact O-CG 3.41Å; S593-L597 PolarHBondContact O-N 2.77Å |
| 594 | I | 88.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.1 | -42.8 | 173.5 | -66.7 | 158.3 | 0 | 0 | 0 | 110.8 | P590 V591 S592 D596 L597 L598 V700 I706 I711 V714 | P590-I594 VanDerWaalsContact O-CD1 3.27Å; P590-I594 WeakPolarHBondContact O-CD1 3.46Å; P590-I594 VanDerWaalsContact O-CG1 3.28Å; P590-I594 WeakPolarHBondContact O-CG1 3.47Å; P590-I594 PolarHBondContact O-N 3.17Å; V591-I594 PolarHBondContact O-N 3.32Å; S592-I594 VanDerWaalsContact C-N 3.28Å; S592-I594 PolarHBondContact O-N 3.31Å; I594-D596 VanDerWaalsContact C-N 3.26Å; I594-D596 PolarHBondContact O-N 3.33Å; I594-L597 PolarHBondContact O-N 2.99Å; I594-L597 VanDerWaalsContact O-N 3.12Å; I594-L598 HydrophobicContact CG2-CD1 3.85Å; I594-L598 HydrophobicContact CG2-CG 4.15Å; I594-L598 VanDerWaalsContact O-CG 3.28Å; I594-L598 WeakPolarHBondContact O-CG 3.19Å; I594-L598 PolarHBondContact O-N 2.85Å; I594-V700 HydrophobicContact CG1-CG1 4.39Å; I594-I706 HydrophobicContact CD1-CD1 3.44Å; I594-I706 VanDerWaalsContact CD1-CD1 3.44Å; I594-I706 HydrophobicContact CD1-CG1 4.34Å; I594-I706 HydrophobicContact CD1-CG2 4.46Å; I594-I711 HydrophobicContact CD1-CB 4.29Å; I594-I711 HydrophobicContact CD1-CG1 3.76Å; I594-I711 HydrophobicContact CG1-CG1 4.24Å; I594-V714 HydrophobicContact CB-CB 4.49Å; I594-V714 HydrophobicContact CB-CG1 3.85Å; I594-V714 HydrophobicContact CD1-CB 4.05Å; I594-V714 HydrophobicContact CD1-CG1 4.23Å; I594-V714 HydrophobicContact CD1-CG2 4.11Å; I594-V714 HydrophobicContact CG2-CB 4.15Å; I594-V714 HydrophobicContact CG2-CG1 3.67Å |
| 595 | I | 87.1 | Confident | 79.6 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 22% | 0.221 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.6 | -40.1 | 178.4 | -74.5 | 170.1 | 0 | 0 | 0 | 111.4 | V591 S592 L598 Q599 V714 F718 | V591-I595 HydrophobicContact CG1-CD1 3.89Å; V591-I595 WeakPolarHBondContact O-CB 3.08Å; V591-I595 VanDerWaalsContact O-CG1 3.29Å; V591-I595 WeakPolarHBondContact O-CG1 3.5Å; V591-I595 PolarHBondContact O-N 2.95Å; S592-I595 CarbonylContact O-C 3.3Å; S592-I595 WeakPolarHBondContact O-CA 3.34Å; S592-I595 WeakPolarHBondContact O-CB 3.45Å; S592-I595 PolarHBondContact O-N 3.1Å; I595-L598 PolarHBondContact O-N 2.75Å; I595-Q599 WeakPolarHBondContact O-CG 3.33Å; I595-Q599 PolarHBondContact O-N 2.74Å; I595-V714 HydrophobicContact CG1-CG1 4.22Å; I595-F718 HydrophobicContact CD1-CD2 4.3Å; I595-F718 HydrophobicContact CG1-CD2 3.91Å; I595-F718 HydrophobicContact CG1-CE2 4.47Å; I595-F718 HydrophobicContact CG1-CG 4.33Å; I595-F718 HydrophobicContact CG2-CD2 4.04Å; I595-F718 HydrophobicContact CG2-CE2 3.73Å; I595-F718 HydrophobicContact CG2-CZ 4.32Å |
| 596 | D | 85.2 | Confident | 81.9 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.9 | -63.9 | -25.4 | 0 | 0 | 0 | 111.4 | S592 I594 Q599 E600 | S592-D596 VanDerWaalsContact O-CG 3.28Å; S592-D596 PolarHBondContact O-N 3.24Å; I594-D596 VanDerWaalsContact C-N 3.26Å; I594-D596 PolarHBondContact O-N 3.33Å; D596-Q599 PolarHBondContact O-N 3.15Å; D596-E600 VanDerWaalsContact O-CB 3.32Å; D596-E600 WeakPolarHBondContact O-CB 3.4Å; D596-E600 PolarHBondContact O-N 2.84Å |
| 597 | L | 87.6 | Confident | 84 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 173.8 | -65.3 | -177.6 | 0 | 0 | 0 | 113.1 | S593 I594 Q599 H601 K696 V700 | S593-L597 WeakPolarHBondContact O-CG 3.41Å; S593-L597 PolarHBondContact O-N 2.77Å; I594-L597 PolarHBondContact O-N 2.99Å; I594-L597 VanDerWaalsContact O-N 3.12Å; L597-Q599 VanDerWaalsContact C-N 3.34Å; L597-H601 PolarHBondContact O-CD2 2.96Å; L597-H601 PolarHBondContact O-N 2.83Å; L597-K696 HydrophobicContact CD1-CB 4.26Å; L597-K696 HydrophobicContact CD2-CB 3.7Å; L597-K696 HydrophobicContact CD2-CD 3.84Å; L597-K696 HydrophobicContact CD2-CG 4.25Å; L597-V700 HydrophobicContact CD1-CG2 3.78Å; L597-V700 HydrophobicContact CG-CG2 4.5Å |
| 598 | L | 88.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.7 | -64.8 | 168.5 | 0 | 0 | 0 | 111.4 | I594 I595 K602 G603 F605 F648 S715 F718 Y719 | I594-L598 HydrophobicContact CG2-CD1 3.85Å; I594-L598 HydrophobicContact CG2-CG 4.15Å; I594-L598 VanDerWaalsContact O-CG 3.28Å; I594-L598 WeakPolarHBondContact O-CG 3.19Å; I594-L598 PolarHBondContact O-N 2.85Å; I595-L598 PolarHBondContact O-N 2.75Å; L598-K602 WeakPolarHBondContact O-CA 2.99Å; L598-K602 PolarHBondContact O-N 3Å; L598-K602 VanDerWaalsContact O-N 3.1Å; L598-G603 WeakPolarHBondContact CD2-O 3.32Å; L598-G603 PolarHBondContact O-N 2.71Å; L598-F605 HydrophobicContact CD2-CD2 3.88Å; L598-F605 HydrophobicContact CD2-CE2 4.23Å; L598-F648 HydrophobicContact CD2-CE2 4.18Å; L598-S715 VanDerWaalsContact CD2-OG 3.29Å; L598-S715 WeakPolarHBondContact CD2-OG 3.48Å; L598-F718 HydrophobicContact CB-CD1 3.87Å; L598-F718 HydrophobicContact CB-CE1 3.83Å; L598-F718 HydrophobicContact CD1-CB 3.91Å; L598-F718 HydrophobicContact CD1-CD1 3.67Å; L598-F718 HydrophobicContact CD1-CE1 4.45Å; L598-F718 HydrophobicContact CD1-CG 3.96Å; L598-F718 HydrophobicContact CG-CD1 4.37Å; L598-Y719 HydrophobicContact CD2-CE2 4.43Å |
| 599 | Q | 85.2 | Confident | 87.4 | Confident | 110 Ų | 110 | 42.6 Ų | 42.6 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -71.5 | -46.4 | 176.2 | -71.8 | -177.7 | 45.3 | 0 | 0 | 112.2 | I595 D596 L597 K602 F718 | I595-Q599 WeakPolarHBondContact O-CG 3.33Å; I595-Q599 PolarHBondContact O-N 2.74Å; D596-Q599 PolarHBondContact O-N 3.15Å; L597-Q599 VanDerWaalsContact C-N 3.34Å; Q599-K602 WeakPolarHBondContact O-CG 3.47Å; Q599-F718 HydrophobicContact CG-CE1 4.3Å; Q599-F718 HydrophobicContact CG-CE2 4.44Å; Q599-F718 HydrophobicContact CG-CZ 3.62Å |
| 600 | E | 85.4 | Confident | 88 | Confident | 107 Ų | 107 | 41.9 Ų | 41.9 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.7 | -49.6 | -178.8 | -171.4 | -169.5 | -166 | 0 | 0 | 111.7 | D596 K696 | D596-E600 VanDerWaalsContact O-CB 3.32Å; D596-E600 WeakPolarHBondContact O-CB 3.4Å; D596-E600 PolarHBondContact O-N 2.84Å; E600-K696 IonicContact OE1-NZ 3.66Å; E600-K696 PolarHBondContact OE1-NZ 3.14Å; E600-K696 IonicContact OE2-NZ 3.48Å; E600-K696 PolarHBondContact OE2-NZ 3.46Å |
| 601 | H | 83.7 | Confident | 88.5 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 20% | 0.199 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 3.3 | -175.4 | -63.1 | -78.4 | 0 | 0 | 0 | 114 | L597 G603 F648 I693 | L597-H601 PolarHBondContact O-CD2 2.96Å; L597-H601 PolarHBondContact O-N 2.83Å; H601-G603 VanDerWaalsContact C-N 3.27Å; H601-G603 PolarHBondContact O-N 2.83Å; H601-G603 VanDerWaalsContact O-N 3.17Å; H601-F648 HydrophobicContact CB-CE1 3.73Å; H601-F648 HydrophobicContact CB-CZ 3.66Å; H601-I693 HydrophobicContact CB-CD1 4.43Å; H601-I693 HydrophobicContact CB-CG1 4.24Å |
| 602 | K | 85.8 | Confident | 88.8 | Confident | 161 Ų | 161 | 41 Ų | 41 | 70% | 0.7 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 45.6 | 174.2 | -58.8 | -179 | -177.7 | 177.2 | 0 | 113.5 | L598 Q599 | L598-K602 WeakPolarHBondContact O-CA 2.99Å; L598-K602 PolarHBondContact O-N 3Å; L598-K602 VanDerWaalsContact O-N 3.1Å; Q599-K602 WeakPolarHBondContact O-CG 3.47Å |
| 603 | G | 88.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L598 H601 F648 V649 Y719 | L598-G603 WeakPolarHBondContact CD2-O 3.32Å; L598-G603 PolarHBondContact O-N 2.71Å; H601-G603 VanDerWaalsContact C-N 3.27Å; H601-G603 PolarHBondContact O-N 2.83Å; H601-G603 VanDerWaalsContact O-N 3.17Å; G603-F648 VanDerWaalsContact CA-CZ 3.43Å; G603-V649 CarbonylContact C-O 3.58Å; G603-V649 WeakPolarHBondContact CA-O 3.29Å; G603-Y719 WeakPolarHBondContact CA-OH 3.39Å; G603-Y719 PolarHBondContact N-OH 2.73Å; G603-Y719 WeakPolarHBondContact O-CE2 3.49Å; G603-Y719 PolarHBondContact O-OH 3.2Å |
| 604 | M | 91.2 | Very high | 89.2 | Confident | 27 Ų | 27 | 41.3 Ų | 41.3 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.9 | -175.9 | 70.3 | -176 | -56.7 | 0 | 0 | 112.8 | I606 F648 V649 R651 S715 Y719 | M604-I606 HydrophobicContact CE-CG2 4.03Å; M604-I606 HydrophobicContact CG-CG2 4.25Å; M604-I606 HydrophobicContact SD-CG2 4.42Å; M604-F648 WeakPolarHBondContact O-CA 3.46Å; M604-V649 HydrophobicContact CG-CB 4.12Å; M604-V649 HydrophobicContact CG-CG2 4.42Å; M604-V649 PolarHBondContact N-O 3.3Å; M604-V649 PolarHBondContact O-N 2.99Å; M604-R651 PolarHBondContact SD-NH1 2.94Å; M604-R651 PolarHBondContact SD-NH2 3.19Å; M604-S715 WeakPolarHBondContact CA-OG 3.38Å; M604-S715 WeakPolarHBondContact CB-OG 3.35Å; M604-Y719 HydrophobicContact CB-CD2 3.82Å; M604-Y719 HydrophobicContact CB-CE2 3.58Å |
| 605 | F | 94.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.2 | 170.4 | -68.8 | -81.7 | 0 | 0 | 0 | 111 | L598 L646 F648 V660 I693 T697 I711 V712 S715 | L598-F605 HydrophobicContact CD2-CD2 3.88Å; L598-F605 HydrophobicContact CD2-CE2 4.23Å; F605-L646 HydrophobicContact CB-CD1 4.09Å; F605-L646 HydrophobicContact CD1-CD1 4.14Å; F605-L646 HydrophobicContact CD1-CD2 3.91Å; F605-L646 HydrophobicContact CD1-CG 4.06Å; F605-L646 HydrophobicContact CE1-CD2 4.29Å; F605-F648 HydrophobicContact CD1-CB 4.3Å; F605-F648 AromaticContact CD1-CD2 3.77Å; F605-F648 HydrophobicContact CD1-CD2 3.77Å; F605-F648 AromaticContact CD2-CD2 3.89Å; F605-F648 HydrophobicContact CD2-CD2 3.89Å; F605-F648 HydrophobicContact CD2-CE2 4.09Å; F605-F648 HydrophobicContact CE1-CB 4.26Å; F605-F648 AromaticContact CE1-CD2 3.64Å; F605-F648 HydrophobicContact CE1-CD2 3.64Å; F605-F648 HydrophobicContact CE1-CE2 4.47Å; F605-F648 HydrophobicContact CE1-CG 4.4Å; F605-F648 AromaticContact CE2-CD2 3.75Å; F605-F648 HydrophobicContact CE2-CD2 3.75Å; F605-F648 AromaticContact CE2-CE2 3.81Å; F605-F648 HydrophobicContact CE2-CE2 3.81Å; F605-F648 AromaticContact CG-CD2 3.89Å; F605-F648 HydrophobicContact CG-CD2 3.89Å; F605-F648 AromaticContact CZ-CD2 3.62Å; F605-F648 HydrophobicContact CZ-CD2 3.62Å; F605-F648 HydrophobicContact CZ-CE2 4.02Å; F605-V660 HydrophobicContact CE1-CG2 4.36Å; F605-I693 HydrophobicContact CE1-CG2 4.43Å; F605-I693 HydrophobicContact CZ-CG2 4.41Å; F605-T697 HydrophobicContact CE1-CG2 4.23Å; F605-T697 HydrophobicContact CZ-CG2 4.33Å; F605-T697 WeakPolarHBondContact CZ-OG1 3.46Å; F605-I711 HydrophobicContact CB-CG2 3.94Å; F605-I711 HydrophobicContact CD1-CG2 3.89Å; F605-I711 HydrophobicContact CD2-CG2 3.54Å; F605-I711 HydrophobicContact CE1-CG2 4.25Å; F605-I711 HydrophobicContact CE2-CG2 3.96Å; F605-I711 HydrophobicContact CG-CG2 3.52Å; F605-I711 HydrophobicContact CZ-CG2 4.29Å; F605-V712 HydrophobicContact CB-CG2 4.25Å; F605-S715 PolarHBondContact N-OG 2.9Å |
| 606 | I | 93.1 | Very high | 88.9 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.128 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.7 | 172.1 | 66.4 | 171.6 | 0 | 0 | 0 | 110.6 | M604 L608 A647 V649 Y657 | M604-I606 HydrophobicContact CE-CG2 4.03Å; M604-I606 HydrophobicContact CG-CG2 4.25Å; M604-I606 HydrophobicContact SD-CG2 4.42Å; I606-L608 HydrophobicContact CD1-CD2 3.73Å; I606-L608 HydrophobicContact CD1-CG 4.06Å; I606-L608 HydrophobicContact CG1-CD2 4.44Å; I606-L608 HydrophobicContact CG1-CG 4.31Å; I606-A647 PolarHBondContact N-O 3.36Å; I606-A647 PolarHBondContact O-N 2.88Å; I606-V649 HydrophobicContact CD1-CG2 3.65Å; I606-V649 HydrophobicContact CG1-CG2 3.72Å; I606-V649 HydrophobicContact CG2-CG2 4.48Å; I606-Y657 HydrophobicContact CD1-CD1 4.49Å; I606-Y657 HydrophobicContact CD1-CE1 4.01Å |
| 607 | F | 94.8 | Very high | 88.7 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.2 | 162.6 | -69.6 | -66.6 | 0 | 0 | 0 | 111.6 | F640 K644 C645 L646 L708 D709 V712 | F607-F640 HydrophobicContact CB-CE1 3.95Å; F607-F640 HydrophobicContact CB-CZ 3.81Å; F607-K644 HydrophobicContact CB-CB 4.38Å; F607-K644 HydrophobicContact CD1-CB 4.01Å; F607-K644 HydrophobicContact CD1-CD 3.99Å; F607-K644 HydrophobicContact CD1-CG 4.11Å; F607-K644 HydrophobicContact CD2-CD 4.5Å; F607-K644 HydrophobicContact CE1-CD 4.02Å; F607-K644 HydrophobicContact CE1-CG 4.31Å; F607-K644 HydrophobicContact CG-CB 4.37Å; F607-K644 HydrophobicContact CG-CD 4.25Å; F607-K644 HydrophobicContact CZ-CD 4.28Å; F607-C645 WeakPolarHBondContact CA-O 3.48Å; F607-L646 HydrophobicContact CD1-CD1 4.49Å; F607-L646 HydrophobicContact CE1-CB 4.37Å; F607-L646 HydrophobicContact CE1-CD1 4.3Å; F607-L708 HydrophobicContact CE1-CB 4.24Å; F607-L708 HydrophobicContact CZ-CB 4.12Å; F607-D709 HydrophobicContact CE2-CB 4.48Å; F607-D709 WeakPolarHBondContact CE2-OD1 3.09Å; F607-D709 HydrophobicContact CZ-CB 4.46Å; F607-D709 WeakPolarHBondContact CZ-OD1 3.49Å; F607-V712 HydrophobicContact CD2-CB 4.31Å; F607-V712 HydrophobicContact CD2-CG1 4.27Å; F607-V712 HydrophobicContact CD2-CG2 3.88Å; F607-V712 HydrophobicContact CE2-CB 4Å; F607-V712 HydrophobicContact CE2-CG1 4.41Å; F607-V712 HydrophobicContact CE2-CG2 3.67Å; F607-V712 HydrophobicContact CG-CG2 4.42Å; F607-V712 HydrophobicContact CZ-CG2 4.03Å |
| 608 | L | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 161.5 | 169.3 | -66 | 178.3 | 0 | 0 | 0 | 109.4 | I606 Q610 Y613 I620 S621 K622 K644 C645 A647 Y657 | I606-L608 HydrophobicContact CD1-CD2 3.73Å; I606-L608 HydrophobicContact CD1-CG 4.06Å; I606-L608 HydrophobicContact CG1-CD2 4.44Å; I606-L608 HydrophobicContact CG1-CG 4.31Å; L608-Q610 PolarHBondContact O-N 3.34Å; L608-Y613 HydrophobicContact CD1-CD2 3.82Å; L608-Y613 HydrophobicContact CD1-CE2 4.29Å; L608-I620 HydrophobicContact CD1-CD1 4.28Å; L608-I620 HydrophobicContact CD1-CG2 4.01Å; L608-I620 HydrophobicContact CD2-CG2 3.89Å; L608-S621 WeakPolarHBondContact CA-O 3.47Å; L608-S621 WeakPolarHBondContact CD2-O 3.47Å; L608-K622 HydrophobicContact CD2-CG 3.73Å; L608-K644 WeakPolarHBondContact O-CA 3.22Å; L608-C645 PolarHBondContact N-O 3Å; L608-C645 PolarHBondContact O-N 3.34Å; L608-C645 PolarHBondContact O-SG 3.42Å; L608-A647 HydrophobicContact CD1-CB 3.71Å; L608-A647 HydrophobicContact CG-CB 4.11Å; L608-Y657 HydrophobicContact CD1-CD1 3.95Å |
| 609 | C | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 125.4 | 170.5 | 176 | 0 | 0 | 0 | 0 | 110 | C612 Y613 S621 C631 F640 N643 | C609-C612 HydrophobicContact CB-CB 4.14Å; C609-Y613 WeakPolarHBondContact O-CB 3.33Å; C609-Y613 PolarHBondContact O-N 3.35Å; C609-S621 PolarHBondContact N-O 3.18Å; C609-C631 HydrophobicContact CB-CB 3.62Å; C609-F640 HydrophobicContact CB-CD2 4.18Å; C609-F640 HydrophobicContact CB-CE2 4.25Å; C609-N643 CarbonylContact C-O 3.28Å; C609-N643 WeakPolarHBondContact CA-O 3.36Å |
| 610 | Q | 91.2 | Very high | 88.8 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -51.3 | -174.3 | -178.4 | 161 | -26.1 | 0 | 0 | 112.4 | L608 C612 Y613 D614 N643 C645 D684 | L608-Q610 PolarHBondContact O-N 3.34Å; Q610-C612 PolarHBondContact O-N 3.46Å; Q610-Y613 CarbonylContact O-C 3.52Å; Q610-Y613 WeakPolarHBondContact O-CA 3.49Å; Q610-Y613 PolarHBondContact O-N 2.83Å; Q610-D614 WeakPolarHBondContact CG-OD2 3.5Å; Q610-D614 PolarHBondContact NE2-OD2 2.92Å; Q610-D614 PolarHBondContact O-N 2.89Å; Q610-N643 PolarHBondContact N-O 2.96Å; Q610-C645 HydrophobicContact CB-CB 3.93Å; Q610-C645 HydrophobicContact CG-CB 4.2Å; Q610-D684 PolarHBondContact NE2-OD2 2.95Å |
| 611 | E | 89.2 | Confident | 89.1 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.6 | -38.1 | 180 | -66.7 | 160.7 | 141.7 | 0 | 0 | 111.8 | S615 H638 N643 | E611-S615 WeakPolarHBondContact O-CB 3.45Å; E611-S615 PolarHBondContact O-N 3.29Å; E611-H638 WeakPolarHBondContact OE2-CB 3.45Å; E611-H638 IonicContact OE2-CD2 3.47Å; E611-H638 PolarHBondContact OE2-CD2 2.91Å; E611-H638 IonicContact OE2-CG 3.86Å; E611-H638 IonicContact OE2-ND1 2.68Å; E611-H638 IonicContact OE2-NE2 2.85Å; E611-N643 PolarHBondContact OE1-ND2 3.23Å; E611-N643 VanDerWaalsContact OE1-ND2 3.1Å; E611-N643 PolarHBondContact OE2-ND2 3.02Å |
| 612 | C | 90.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.6 | -35.9 | 172.4 | -65 | 0 | 0 | 0 | 0 | 112.6 | C609 Q610 S615 I619 H638 | C609-C612 HydrophobicContact CB-CB 4.14Å; Q610-C612 PolarHBondContact O-N 3.46Å; C612-S615 PolarHBondContact O-OG 3.39Å; C612-I619 CarbonylContact C-O 3.49Å; C612-I619 HydrophobicContact CB-CB 4.11Å; C612-I619 HydrophobicContact CB-CG2 4.32Å; C612-I619 VanDerWaalsContact CB-O 3.29Å; C612-I619 WeakPolarHBondContact CB-O 3.44Å; C612-I619 CarbonylContact O-C 3.52Å; C612-I619 WeakPolarHBondContact O-CA 3.34Å; C612-I619 PolarHBondContact O-N 3.33Å; C612-H638 PolarHBondContact SG-ND1 3.12Å |
| 613 | Y | 90.9 | Very high | 89.5 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.4 | -32.7 | 179.3 | -174.2 | -83.3 | 0 | 0 | 0 | 112.7 | L608 C609 Q610 R618 I620 Y657 K659 | L608-Y613 HydrophobicContact CD1-CD2 3.82Å; L608-Y613 HydrophobicContact CD1-CE2 4.29Å; C609-Y613 WeakPolarHBondContact O-CB 3.33Å; C609-Y613 PolarHBondContact O-N 3.35Å; Q610-Y613 CarbonylContact O-C 3.52Å; Q610-Y613 WeakPolarHBondContact O-CA 3.49Å; Q610-Y613 PolarHBondContact O-N 2.83Å; Y613-R618 VanDerWaalsContact CE1-CZ 3.42Å; Y613-R618 VanDerWaalsContact CE1-NH2 3.32Å; Y613-R618 WeakPolarHBondContact O-CG 3.42Å; Y613-R618 PolarHBondContact O-NE 2.85Å; Y613-I620 HydrophobicContact CD2-CD1 3.75Å; Y613-I620 HydrophobicContact CE2-CD1 3.92Å; Y613-Y657 PolarHBondContact OH-O 2.96Å; Y613-Y657 VanDerWaalsContact OH-O 3.13Å; Y613-K659 HydrophobicContact CD1-CB 4.33Å; Y613-K659 HydrophobicContact CD1-CD 4.01Å; Y613-K659 HydrophobicContact CD1-CG 4.38Å; Y613-K659 HydrophobicContact CE1-CB 3.64Å; Y613-K659 HydrophobicContact CE1-CD 4.01Å; Y613-K659 HydrophobicContact CE1-CG 4.17Å; Y613-K659 PolarHBondContact OH-N 3.5Å |
| 614 | D | 87.8 | Confident | 89.2 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -91.5 | -10.7 | -179 | -61.6 | -29.8 | 0 | 0 | 0 | 112.9 | Q610 K659 | Q610-D614 WeakPolarHBondContact CG-OD2 3.5Å; Q610-D614 PolarHBondContact NE2-OD2 2.92Å; Q610-D614 PolarHBondContact O-N 2.89Å; D614-K659 IonicContact OD1-NZ 2.59Å; D614-K659 PolarHBondContact OD1-NZ 3.37Å; D614-K659 IonicContact OD2-NZ 3.94Å; D614-K659 PolarHBondContact OD2-NZ 3Å |
| 615 | S | 86.3 | Confident | 88.6 | Confident | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -58.2 | 154.8 | 173.7 | 70.2 | 0 | 0 | 0 | 0 | 112.2 | E611 C612 P617 R618 | E611-S615 WeakPolarHBondContact O-CB 3.45Å; E611-S615 PolarHBondContact O-N 3.29Å; C612-S615 PolarHBondContact O-OG 3.39Å; S615-P617 VanDerWaalsContact C-C 3.44Å; S615-P617 CarbonylContact C-O 3.59Å; S615-P617 WeakPolarHBondContact CB-O 3.46Å; S615-P617 CarbonylContact O-C 3.48Å; S615-P617 PolarHBondContact OG-O 2.95Å; S615-R618 WeakPolarHBondContact O-CA 3.27Å; S615-R618 PolarHBondContact O-N 3.15Å |
| 616 | K | 83.6 | Confident | 87.8 | Confident | 164 Ų | 164 | 62.8 Ų | 62.8 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -125.6 | 98.5 | -178.5 | -68.9 | 164.7 | -173.7 | 168.4 | 0 | 107.1 | E683 | K616-E683 IonicContact NZ-OE1 3.42Å; K616-E683 PolarHBondContact NZ-OE1 3.23Å; K616-E683 IonicContact NZ-OE2 2.86Å |
| 617 | P | 79.8 | Confident | 87.2 | Confident | 113 Ų | 113 | 64.2 Ų | 64.2 | 73% | 0.734 | 33% | 0.332 | S | S | * | . | S | Bend | cis | -73 | 156.8 | 6.7 | 32.2 | -37.2 | 0 | 0 | 0 | 114.6 | S615 | S615-P617 VanDerWaalsContact C-C 3.44Å; S615-P617 CarbonylContact C-O 3.59Å; S615-P617 WeakPolarHBondContact CB-O 3.46Å; S615-P617 CarbonylContact O-C 3.48Å; S615-P617 PolarHBondContact OG-O 2.95Å |
| 618 | R | 86.2 | Confident | 86.5 | Confident | 143 Ų | 143 | 69.8 Ų | 69.8 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | trans | -74.7 | 132.4 | -178.1 | 166.5 | 174.5 | -69.1 | 149.3 | 6.6 | 112.3 | Y613 S615 I620 | Y613-R618 VanDerWaalsContact CE1-CZ 3.42Å; Y613-R618 VanDerWaalsContact CE1-NH2 3.32Å; Y613-R618 WeakPolarHBondContact O-CG 3.42Å; Y613-R618 PolarHBondContact O-NE 2.85Å; S615-R618 WeakPolarHBondContact O-CA 3.27Å; S615-R618 PolarHBondContact O-N 3.15Å; R618-I620 HydrophobicContact CG-CD1 4.08Å | ||
| 619 | I | 88.3 | Confident | 86.2 | Confident | 64 Ų | 64 | 72.3 Ų | 72.3 | 33% | 0.328 | 38% | 0.379 | S | S | . | . | trans | -117.2 | 116 | 179.5 | -59.8 | 175.7 | 0 | 0 | 0 | 110.3 | C612 S621 | C612-I619 CarbonylContact C-O 3.49Å; C612-I619 HydrophobicContact CB-CB 4.11Å; C612-I619 HydrophobicContact CB-CG2 4.32Å; C612-I619 VanDerWaalsContact CB-O 3.29Å; C612-I619 WeakPolarHBondContact CB-O 3.44Å; C612-I619 CarbonylContact O-C 3.52Å; C612-I619 WeakPolarHBondContact O-CA 3.34Å; C612-I619 PolarHBondContact O-N 3.33Å; I619-S621 VanDerWaalsContact C-N 3.33Å; I619-S621 PolarHBondContact O-N 2.97Å | ||
| 620 | I | 90.4 | Very high | 86 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 31% | 0.308 | 39% | 0.391 | S | S | . | . | trans | -79.5 | 81.4 | 177.5 | -55.3 | -58.9 | 0 | 0 | 0 | 110.4 | L608 Y613 R618 Y657 | L608-I620 HydrophobicContact CD1-CD1 4.28Å; L608-I620 HydrophobicContact CD1-CG2 4.01Å; L608-I620 HydrophobicContact CD2-CG2 3.89Å; Y613-I620 HydrophobicContact CD2-CD1 3.75Å; Y613-I620 HydrophobicContact CE2-CD1 3.92Å; R618-I620 HydrophobicContact CG-CD1 4.08Å; I620-Y657 HydrophobicContact CD1-CD2 4.07Å; I620-Y657 HydrophobicContact CD1-CG 4.04Å; I620-Y657 HydrophobicContact CG1-CD2 4.06Å; I620-Y657 HydrophobicContact CG1-CE2 4.26Å; I620-Y657 HydrophobicContact CG1-CG 4.47Å; I620-Y657 HydrophobicContact CG2-CD1 4.19Å; I620-Y657 HydrophobicContact CG2-CD2 4.34Å; I620-Y657 HydrophobicContact CG2-CE1 3.88Å; I620-Y657 HydrophobicContact CG2-CE2 4.02Å; I620-Y657 HydrophobicContact CG2-CG 4.43Å | ||
| 621 | S | 90.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | trans | -94.6 | 129.2 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | L608 C609 I619 C631 S632 N633 | L608-S621 WeakPolarHBondContact CA-O 3.47Å; L608-S621 WeakPolarHBondContact CD2-O 3.47Å; C609-S621 PolarHBondContact N-O 3.18Å; I619-S621 VanDerWaalsContact C-N 3.33Å; I619-S621 PolarHBondContact O-N 2.97Å; S621-C631 WeakPolarHBondContact OG-CB 3.25Å; S621-C631 PolarHBondContact OG-SG 3.31Å; S621-S632 PolarHBondContact OG-N 3.37Å; S621-S632 PolarHBondContact OG-OG 2.93Å; S621-N633 PolarHBondContact OG-N 3.35Å; S621-N633 VanDerWaalsContact OG-N 3.12Å | ||
| 622 | K | 90.4 | Very high | 85.7 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | trans | -94.9 | -171.4 | 173.2 | -68.6 | 177 | 179.6 | 177.5 | 0 | 110.1 | L608 C631 S632 F640 | L608-K622 HydrophobicContact CD2-CG 3.73Å; K622-C631 CarbonylContact O-C 3.21Å; K622-C631 VanDerWaalsContact O-CA 3.31Å; K622-C631 WeakPolarHBondContact O-CA 3.23Å; K622-S632 PolarHBondContact N-OG 3.46Å; K622-S632 PolarHBondContact O-N 3.46Å; K622-S632 PolarHBondContact O-OG 3.4Å; K622-F640 WeakPolarHBondContact O-CD2 3.28Å; K622-F640 WeakPolarHBondContact O-CE2 3.37Å | ||
| 623 | R | 87.8 | Confident | 85.4 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 32% | 0.321 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -69.4 | 139 | 164.5 | -167.5 | -175 | -67.4 | -86.8 | 7.6 | 108.9 | Q628 F640 D641 | R623-Q628 VanDerWaalsContact CD-O 3.28Å; R623-Q628 WeakPolarHBondContact CD-O 3.5Å; R623-Q628 WeakPolarHBondContact CG-O 3.43Å; R623-Q628 PolarHBondContact NH1-O 3.3Å; R623-F640 HydrophobicContact CB-CD1 3.91Å; R623-F640 HydrophobicContact CB-CD2 4.08Å; R623-F640 HydrophobicContact CB-CE1 3.94Å; R623-F640 HydrophobicContact CB-CE2 4.12Å; R623-F640 HydrophobicContact CB-CG 3.97Å; R623-F640 HydrophobicContact CB-CZ 4.04Å; R623-F640 HydrophobicContact CG-CB 4.41Å; R623-F640 HydrophobicContact CG-CD1 4.01Å; R623-F640 HydrophobicContact CG-CE1 4.48Å; R623-F640 HydrophobicContact CG-CG 4.06Å; R623-F640 VanDerWaalsContact CZ-CD1 3.42Å; R623-D641 IonicContact CZ-OD1 3.58Å; R623-D641 IonicContact CZ-OD2 3.36Å; R623-D641 VanDerWaalsContact NH1-CG 3.33Å; R623-D641 IonicContact NH1-OD1 3.83Å; R623-D641 PolarHBondContact NH1-OD1 3.17Å; R623-D641 IonicContact NH1-OD2 2.74Å; R623-D641 PolarHBondContact NH1-OD2 2.86Å; R623-D641 IonicContact NH2-OD1 2.69Å; R623-D641 PolarHBondContact NH2-OD1 3.04Å; R623-D641 IonicContact NH2-OD2 2.7Å |
| 624 | S | 83.3 | Confident | 84.6 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | trans | -70.4 | 140.7 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | V626 S627 I630 | S624-V626 VanDerWaalsContact C-N 3.35Å; S624-V626 PolarHBondContact OG-N 3.04Å; S624-S627 WeakPolarHBondContact CB-O 3.38Å; S624-I630 WeakPolarHBondContact CB-O 3.42Å; S624-I630 PolarHBondContact N-O 3.22Å | ||
| 625 | V | 78.6 | Confident | 84 | Confident | 144 Ų | 144 | 82.1 Ų | 82.1 | 87% | 0.873 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -75.4 | -28.4 | 175 | -175.3 | 0 | 0 | 0 | 0 | 111 | ||
| 626 | V | 76.9 | Confident | 83.3 | Confident | 144 Ų | 144 | 81.7 Ų | 81.7 | 87% | 0.873 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -83.5 | -32.4 | -175.4 | -176 | 0 | 0 | 0 | 0 | 112.1 | S624 | S624-V626 VanDerWaalsContact C-N 3.35Å; S624-V626 PolarHBondContact OG-N 3.04Å |
| 627 | S | 79.8 | Confident | 83.1 | Confident | 55 Ų | 55 | 83.6 Ų | 83.6 | 39% | 0.385 | 44% | 0.442 | S | S | . | . | trans | -146.8 | 112 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | S624 A629 I630 | S624-S627 WeakPolarHBondContact CB-O 3.38Å; S627-A629 PolarHBondContact O-N 3.33Å; S627-A629 VanDerWaalsContact O-N 3.14Å; S627-I630 WeakPolarHBondContact O-CG1 3.48Å; S627-I630 PolarHBondContact O-N 3.14Å | ||
| 628 | Q | 80.9 | Confident | 83.4 | Confident | 144 Ų | 144 | 80.5 Ų | 80.5 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.4 | -171 | -66.4 | -178.3 | 6.1 | 0 | 0 | 113.3 | R623 I630 | R623-Q628 VanDerWaalsContact CD-O 3.28Å; R623-Q628 WeakPolarHBondContact CD-O 3.5Å; R623-Q628 WeakPolarHBondContact CG-O 3.43Å; R623-Q628 PolarHBondContact NH1-O 3.3Å; Q628-I630 VanDerWaalsContact C-N 3.32Å; Q628-I630 PolarHBondContact O-N 3.23Å |
| 629 | A | 85.3 | Confident | 83.6 | Confident | 54 Ų | 54 | 77.8 Ų | 77.8 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S627 N639 F640 | S627-A629 PolarHBondContact O-N 3.33Å; S627-A629 VanDerWaalsContact O-N 3.14Å; A629-N639 WeakPolarHBondContact O-CA 3.46Å; A629-F640 PolarHBondContact O-N 3.03Å |
| 630 | I | 89.1 | Confident | 83.6 | Confident | 46 Ų | 46 | 75 Ų | 75 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 156.1 | -175.7 | 60.4 | 171.5 | 0 | 0 | 0 | 112.8 | S624 S627 Q628 H638 | S624-I630 WeakPolarHBondContact CB-O 3.42Å; S624-I630 PolarHBondContact N-O 3.22Å; S627-I630 WeakPolarHBondContact O-CG1 3.48Å; S627-I630 PolarHBondContact O-N 3.14Å; Q628-I630 VanDerWaalsContact C-N 3.32Å; Q628-I630 PolarHBondContact O-N 3.23Å; I630-H638 WeakPolarHBondContact CA-O 3.35Å |
| 631 | C | 88.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.014 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -70.4 | 160.6 | 172.9 | 84.9 | 0 | 0 | 0 | 0 | 112 | C609 S621 K622 N633 A636 H638 F640 | C609-C631 HydrophobicContact CB-CB 3.62Å; S621-C631 WeakPolarHBondContact OG-CB 3.25Å; S621-C631 PolarHBondContact OG-SG 3.31Å; K622-C631 CarbonylContact O-C 3.21Å; K622-C631 VanDerWaalsContact O-CA 3.31Å; K622-C631 WeakPolarHBondContact O-CA 3.23Å; C631-N633 PolarHBondContact O-N 3Å; C631-A636 PolarHBondContact SG-O 3.31Å; C631-A636 VanDerWaalsContact SG-O 3.38Å; C631-H638 HydrophobicContact CB-CB 4.49Å; C631-H638 PolarHBondContact N-O 3.26Å; C631-F640 HydrophobicContact CB-CD2 3.99Å |
| 632 | S | 85.8 | Confident | 83.2 | Confident | 54 Ų | 54 | 79 Ų | 79 | 38% | 0.378 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -81.9 | 12.2 | -179.6 | 74.9 | 0 | 0 | 0 | 0 | 114.4 | S621 K622 | S621-S632 PolarHBondContact OG-N 3.37Å; S621-S632 PolarHBondContact OG-OG 2.93Å; K622-S632 PolarHBondContact N-OG 3.46Å; K622-S632 PolarHBondContact O-N 3.46Å; K622-S632 PolarHBondContact O-OG 3.4Å |
| 633 | N | 83.4 | Confident | 83.1 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | trans | -77.1 | 135 | 171.9 | -171.7 | -0 | 0 | 0 | 0 | 109 | S621 C631 D635 | S621-N633 PolarHBondContact OG-N 3.35Å; S621-N633 VanDerWaalsContact OG-N 3.12Å; C631-N633 PolarHBondContact O-N 3Å; N633-D635 PolarHBondContact OD1-N 2.7Å; N633-D635 VanDerWaalsContact OD1-N 3.11Å | ||
| 634 | L | 74.9 | Confident | 83.3 | Confident | 142 Ų | 142 | 76.4 Ų | 76.4 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -81.8 | -31.7 | 179.8 | -62.6 | 177 | 0 | 0 | 0 | 111.5 | ||
| 635 | D | 74.1 | Confident | 83.7 | Confident | 150 Ų | 150 | 75.7 Ų | 75.7 | 80% | 0.802 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -87.3 | -23.4 | -171.8 | -51.7 | -50.6 | 0 | 0 | 0 | 112.6 | N633 | N633-D635 PolarHBondContact OD1-N 2.7Å; N633-D635 VanDerWaalsContact OD1-N 3.11Å |
| 636 | A | 72.9 | Confident | 84.5 | Confident | 30 Ų | 30 | 69 Ų | 69 | 25% | 0.248 | 38% | 0.379 | C | S | . | . | trans | -141.9 | 122.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | C631 H638 | C631-A636 PolarHBondContact SG-O 3.31Å; C631-A636 VanDerWaalsContact SG-O 3.38Å; A636-H638 VanDerWaalsContact CB-CE1 3.48Å; A636-H638 WeakPolarHBondContact CB-CE1 3.45Å; A636-H638 PolarHBondContact O-N 2.93Å | ||
| 637 | R | 78.9 | Confident | 85.3 | Confident | 203 Ų | 203 | 62.1 Ų | 62.1 | 77% | 0.766 | 34% | 0.337 | S | S | * | . | trans | -96.7 | 57.9 | -172.1 | -64.8 | -172.7 | 179.6 | -168.2 | 1 | 113.3 | ||||
| 638 | H | 86.4 | Confident | 85.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | trans | -61 | 142.2 | 177.2 | -51.4 | 132.2 | 0 | 0 | 0 | 112.5 | E611 C612 I630 C631 A636 F640 | E611-H638 WeakPolarHBondContact OE2-CB 3.45Å; E611-H638 IonicContact OE2-CD2 3.47Å; E611-H638 PolarHBondContact OE2-CD2 2.91Å; E611-H638 IonicContact OE2-CG 3.86Å; E611-H638 IonicContact OE2-ND1 2.68Å; E611-H638 IonicContact OE2-NE2 2.85Å; C612-H638 PolarHBondContact SG-ND1 3.12Å; I630-H638 WeakPolarHBondContact CA-O 3.35Å; C631-H638 HydrophobicContact CB-CB 4.49Å; C631-H638 PolarHBondContact N-O 3.26Å; A636-H638 VanDerWaalsContact CB-CE1 3.48Å; A636-H638 WeakPolarHBondContact CB-CE1 3.45Å; A636-H638 PolarHBondContact O-N 2.93Å; H638-F640 PolarHBondContact O-N 3.36Å | ||
| 639 | N | 89.1 | Confident | 86.4 | Confident | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 118.9 | 171 | 178.1 | -31.7 | 0 | 0 | 0 | 108.9 | A629 D641 A642 N643 | A629-N639 WeakPolarHBondContact O-CA 3.46Å; N639-D641 PolarHBondContact OD1-N 3.19Å; N639-D641 VanDerWaalsContact OD1-N 3.07Å; N639-A642 HydrophobicContact CB-CB 4.18Å; N639-A642 PolarHBondContact OD1-N 3.06Å; N639-N643 WeakPolarHBondContact O-CB 3.43Å; N639-N643 PolarHBondContact O-N 3.45Å; N639-N643 VanDerWaalsContact O-N 3.15Å |
| 640 | F | 89.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -36 | -171.3 | -170.5 | -89.1 | 0 | 0 | 0 | 113.2 | F607 C609 K622 R623 A629 C631 H638 N643 K644 | F607-F640 HydrophobicContact CB-CE1 3.95Å; F607-F640 HydrophobicContact CB-CZ 3.81Å; C609-F640 HydrophobicContact CB-CD2 4.18Å; C609-F640 HydrophobicContact CB-CE2 4.25Å; K622-F640 WeakPolarHBondContact O-CD2 3.28Å; K622-F640 WeakPolarHBondContact O-CE2 3.37Å; R623-F640 HydrophobicContact CB-CD1 3.91Å; R623-F640 HydrophobicContact CB-CD2 4.08Å; R623-F640 HydrophobicContact CB-CE1 3.94Å; R623-F640 HydrophobicContact CB-CE2 4.12Å; R623-F640 HydrophobicContact CB-CG 3.97Å; R623-F640 HydrophobicContact CB-CZ 4.04Å; R623-F640 HydrophobicContact CG-CB 4.41Å; R623-F640 HydrophobicContact CG-CD1 4.01Å; R623-F640 HydrophobicContact CG-CE1 4.48Å; R623-F640 HydrophobicContact CG-CG 4.06Å; R623-F640 VanDerWaalsContact CZ-CD1 3.42Å; A629-F640 PolarHBondContact O-N 3.03Å; C631-F640 HydrophobicContact CB-CD2 3.99Å; H638-F640 PolarHBondContact O-N 3.36Å; F640-N643 CarbonylContact O-C 3.59Å; F640-K644 HydrophobicContact CE1-CB 4.23Å; F640-K644 VanDerWaalsContact O-CB 3.31Å; F640-K644 WeakPolarHBondContact O-CB 3.48Å; F640-K644 PolarHBondContact O-N 3.4Å; F640-K644 VanDerWaalsContact O-N 3.17Å |
| 641 | D | 85.6 | Confident | 85.5 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -31.7 | -175.9 | -74 | -63.2 | 0 | 0 | 0 | 113.3 | R623 N639 | R623-D641 IonicContact CZ-OD1 3.58Å; R623-D641 IonicContact CZ-OD2 3.36Å; R623-D641 VanDerWaalsContact NH1-CG 3.33Å; R623-D641 IonicContact NH1-OD1 3.83Å; R623-D641 PolarHBondContact NH1-OD1 3.17Å; R623-D641 IonicContact NH1-OD2 2.74Å; R623-D641 PolarHBondContact NH1-OD2 2.86Å; R623-D641 IonicContact NH2-OD1 2.69Å; R623-D641 PolarHBondContact NH2-OD1 3.04Å; R623-D641 IonicContact NH2-OD2 2.7Å; N639-D641 PolarHBondContact OD1-N 3.19Å; N639-D641 VanDerWaalsContact OD1-N 3.07Å |
| 642 | A | 86.6 | Confident | 84.4 | Confident | 69 Ų | 69 | 59.3 Ų | 59.3 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -46.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N639 | N639-A642 HydrophobicContact CB-CB 4.18Å; N639-A642 PolarHBondContact OD1-N 3.06Å |
| 643 | N | 88 | Confident | 82.7 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 44.6 | -169 | -58 | -19.2 | 0 | 0 | 0 | 111.5 | C609 Q610 E611 N639 F640 | C609-N643 CarbonylContact C-O 3.28Å; C609-N643 WeakPolarHBondContact CA-O 3.36Å; Q610-N643 PolarHBondContact N-O 2.96Å; E611-N643 PolarHBondContact OE1-ND2 3.23Å; E611-N643 VanDerWaalsContact OE1-ND2 3.1Å; E611-N643 PolarHBondContact OE2-ND2 3.02Å; N639-N643 WeakPolarHBondContact O-CB 3.43Å; N639-N643 PolarHBondContact O-N 3.45Å; N639-N643 VanDerWaalsContact O-N 3.15Å; F640-N643 CarbonylContact O-C 3.59Å |
| 644 | K | 91.6 | Very high | 81.8 | Confident | 59 Ų | 59 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.1 | 174.2 | 64.7 | -177.6 | -168.9 | 177.2 | 0 | 112.2 | F607 L608 F640 D709 | F607-K644 HydrophobicContact CB-CB 4.38Å; F607-K644 HydrophobicContact CD1-CB 4.01Å; F607-K644 HydrophobicContact CD1-CD 3.99Å; F607-K644 HydrophobicContact CD1-CG 4.11Å; F607-K644 HydrophobicContact CD2-CD 4.5Å; F607-K644 HydrophobicContact CE1-CD 4.02Å; F607-K644 HydrophobicContact CE1-CG 4.31Å; F607-K644 HydrophobicContact CG-CB 4.37Å; F607-K644 HydrophobicContact CG-CD 4.25Å; F607-K644 HydrophobicContact CZ-CD 4.28Å; L608-K644 WeakPolarHBondContact O-CA 3.22Å; F640-K644 HydrophobicContact CE1-CB 4.23Å; F640-K644 VanDerWaalsContact O-CB 3.31Å; F640-K644 WeakPolarHBondContact O-CB 3.48Å; F640-K644 PolarHBondContact O-N 3.4Å; F640-K644 VanDerWaalsContact O-N 3.17Å; K644-D709 IonicContact NZ-OD1 3.17Å; K644-D709 PolarHBondContact NZ-OD1 3.02Å; K644-D709 IonicContact NZ-OD2 3.6Å; K644-D709 PolarHBondContact NZ-OD2 3.5Å |
| 645 | C | 92.5 | Very high | 82.1 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 145.7 | 164.7 | 65.2 | 0 | 0 | 0 | 0 | 111 | F607 L608 Q610 K659 | F607-C645 WeakPolarHBondContact CA-O 3.48Å; L608-C645 PolarHBondContact N-O 3Å; L608-C645 PolarHBondContact O-N 3.34Å; L608-C645 PolarHBondContact O-SG 3.42Å; Q610-C645 HydrophobicContact CB-CB 3.93Å; Q610-C645 HydrophobicContact CG-CB 4.2Å; C645-K659 HydrophobicContact CB-CG 4.42Å |
| 646 | L | 94.6 | Very high | 82.6 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 135.5 | 170.9 | -176.1 | 68.8 | 0 | 0 | 0 | 109.6 | F605 F607 V660 L708 I711 V712 | F605-L646 HydrophobicContact CB-CD1 4.09Å; F605-L646 HydrophobicContact CD1-CD1 4.14Å; F605-L646 HydrophobicContact CD1-CD2 3.91Å; F605-L646 HydrophobicContact CD1-CG 4.06Å; F605-L646 HydrophobicContact CE1-CD2 4.29Å; F607-L646 HydrophobicContact CD1-CD1 4.49Å; F607-L646 HydrophobicContact CE1-CB 4.37Å; F607-L646 HydrophobicContact CE1-CD1 4.3Å; L646-V660 WeakPolarHBondContact CB-O 3.38Å; L646-V660 HydrophobicContact CD2-CB 4.18Å; L646-V660 HydrophobicContact CD2-CG1 3.97Å; L646-V660 HydrophobicContact CG-CB 4.28Å; L646-V660 PolarHBondContact O-N 3.16Å; L646-L708 HydrophobicContact CD2-CD2 3.67Å; L646-I711 HydrophobicContact CD2-CG2 4.35Å; L646-V712 HydrophobicContact CD1-CG2 3.34Å |
| 647 | A | 93.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I606 L608 R658 | I606-A647 PolarHBondContact N-O 3.36Å; I606-A647 PolarHBondContact O-N 2.88Å; L608-A647 HydrophobicContact CD1-CB 3.71Å; L608-A647 HydrophobicContact CG-CB 4.11Å; A647-R658 CarbonylContact C-O 3.33Å; A647-R658 VanDerWaalsContact CA-O 3.32Å; A647-R658 WeakPolarHBondContact CA-O 3.37Å |
| 648 | F | 93.5 | Very high | 83.8 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134 | 170.2 | -167.2 | -97.6 | 0 | 0 | 0 | 110.3 | L598 H601 G603 M604 F605 M650 R658 V660 I693 | L598-F648 HydrophobicContact CD2-CE2 4.18Å; H601-F648 HydrophobicContact CB-CE1 3.73Å; H601-F648 HydrophobicContact CB-CZ 3.66Å; G603-F648 VanDerWaalsContact CA-CZ 3.43Å; M604-F648 WeakPolarHBondContact O-CA 3.46Å; F605-F648 HydrophobicContact CD1-CB 4.3Å; F605-F648 AromaticContact CD1-CD2 3.77Å; F605-F648 HydrophobicContact CD1-CD2 3.77Å; F605-F648 AromaticContact CD2-CD2 3.89Å; F605-F648 HydrophobicContact CD2-CD2 3.89Å; F605-F648 HydrophobicContact CD2-CE2 4.09Å; F605-F648 HydrophobicContact CE1-CB 4.26Å; F605-F648 AromaticContact CE1-CD2 3.64Å; F605-F648 HydrophobicContact CE1-CD2 3.64Å; F605-F648 HydrophobicContact CE1-CE2 4.47Å; F605-F648 HydrophobicContact CE1-CG 4.4Å; F605-F648 AromaticContact CE2-CD2 3.75Å; F605-F648 HydrophobicContact CE2-CD2 3.75Å; F605-F648 AromaticContact CE2-CE2 3.81Å; F605-F648 HydrophobicContact CE2-CE2 3.81Å; F605-F648 AromaticContact CG-CD2 3.89Å; F605-F648 HydrophobicContact CG-CD2 3.89Å; F605-F648 AromaticContact CZ-CD2 3.62Å; F605-F648 HydrophobicContact CZ-CD2 3.62Å; F605-F648 HydrophobicContact CZ-CE2 4.02Å; F648-M650 HydrophobicContact CD1-CG 3.83Å; F648-M650 HydrophobicContact CE1-CG 3.65Å; F648-R658 PolarHBondContact N-O 2.85Å; F648-R658 PolarHBondContact O-N 2.94Å; F648-V660 HydrophobicContact CB-CG2 4.31Å; F648-I693 HydrophobicContact CB-CG2 3.79Å; F648-I693 HydrophobicContact CD1-CD1 3.67Å; F648-I693 HydrophobicContact CD1-CG1 4.35Å; F648-I693 HydrophobicContact CD1-CG2 4.02Å; F648-I693 HydrophobicContact CD2-CG2 3.96Å; F648-I693 HydrophobicContact CE1-CD1 3.93Å; F648-I693 HydrophobicContact CE1-CG1 4.45Å; F648-I693 HydrophobicContact CG-CD1 4.43Å; F648-I693 HydrophobicContact CG-CG2 3.67Å |
| 649 | V | 91.7 | Very high | 84.1 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 106.6 | -175.7 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | G603 M604 I606 I655 Y657 | G603-V649 CarbonylContact C-O 3.58Å; G603-V649 WeakPolarHBondContact CA-O 3.29Å; M604-V649 HydrophobicContact CG-CB 4.12Å; M604-V649 HydrophobicContact CG-CG2 4.42Å; M604-V649 PolarHBondContact N-O 3.3Å; M604-V649 PolarHBondContact O-N 2.99Å; I606-V649 HydrophobicContact CD1-CG2 3.65Å; I606-V649 HydrophobicContact CG1-CG2 3.72Å; I606-V649 HydrophobicContact CG2-CG2 4.48Å; V649-I655 HydrophobicContact CG1-CG2 3.55Å; V649-Y657 HydrophobicContact CB-CD1 4.43Å; V649-Y657 HydrophobicContact CB-CE1 4.35Å; V649-Y657 HydrophobicContact CG1-CD1 4.17Å; V649-Y657 HydrophobicContact CG1-CE1 3.81Å; V649-Y657 HydrophobicContact CG2-CD1 3.66Å; V649-Y657 HydrophobicContact CG2-CE1 3.61Å |
| 650 | M | 85.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.3 | 170.2 | -66.9 | 174 | -64.8 | 0 | 0 | 109.2 | F648 N656 R658 I693 | F648-M650 HydrophobicContact CD1-CG 3.83Å; F648-M650 HydrophobicContact CE1-CG 3.65Å; M650-N656 HydrophobicContact CB-CB 4.44Å; M650-N656 HydrophobicContact CE-CB 3.89Å; M650-N656 PolarHBondContact N-O 3.26Å; M650-N656 PolarHBondContact O-N 3.06Å; M650-N656 VanDerWaalsContact O-N 3.09Å; M650-R658 HydrophobicContact CE-CG 4.3Å; M650-I693 HydrophobicContact CE-CD1 4.43Å; M650-I693 HydrophobicContact SD-CD1 3.88Å |
| 651 | R | 68.9 | Low | 84.4 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 93.5 | 171.2 | -67.6 | -173.4 | -177.2 | 87.5 | -7.5 | 108.9 | M604 | M604-R651 PolarHBondContact SD-NH1 2.94Å; M604-R651 PolarHBondContact SD-NH2 3.19Å |
| 652 | T | 65.4 | Low | 84.5 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 60% | 0.595 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -112.3 | -142.8 | 169.6 | 64.4 | 0 | 0 | 0 | 0 | 108.4 | N654 | T652-N654 PolarHBondContact N-O 2.89Å; T652-N654 PolarHBondContact O-N 3.46Å; T652-N654 PolarHBondContact OG1-O 3.44Å |
| 653 | H | 50.6 | Low | 84.6 | Confident | 181 Ų | 181 | 55 Ų | 55 | 84% | 0.838 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -63.3 | -18 | 170.6 | -55.9 | -77.6 | 0 | 0 | 0 | 113.1 | ||
| 654 | N | 63.6 | Low | 84.4 | Confident | 119 Ų | 119 | 55.5 Ų | 55.5 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -133 | 157 | 172 | -76.9 | -51.1 | 0 | 0 | 0 | 110.1 | T652 N656 | T652-N654 PolarHBondContact N-O 2.89Å; T652-N654 PolarHBondContact O-N 3.46Å; T652-N654 PolarHBondContact OG1-O 3.44Å; N654-N656 PolarHBondContact O-N 3.06Å |
| 655 | I | 81.5 | Confident | 83.8 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 106.3 | 173.2 | -46.3 | -179.9 | 0 | 0 | 0 | 109.4 | V649 Y657 Y820 | V649-I655 HydrophobicContact CG1-CG2 3.55Å; I655-Y657 HydrophobicContact CB-CE2 4.2Å; I655-Y657 HydrophobicContact CG2-CD2 4.17Å; I655-Y657 HydrophobicContact CG2-CE2 3.47Å; I655-Y657 VanDerWaalsContact CG2-CE2 3.47Å; I655-Y820 HydrophobicContact CD1-CE1 4.25Å; I655-Y820 WeakPolarHBondContact CD1-OH 3.33Å; I655-Y820 VanDerWaalsContact CG1-OH 3.29Å; I655-Y820 WeakPolarHBondContact CG1-OH 3.41Å |
| 656 | N | 84 | Confident | 83.2 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.6 | -179.7 | -75.9 | -38.5 | 0 | 0 | 0 | 111 | M650 N654 | M650-N656 HydrophobicContact CB-CB 4.44Å; M650-N656 HydrophobicContact CE-CB 3.89Å; M650-N656 PolarHBondContact N-O 3.26Å; M650-N656 PolarHBondContact O-N 3.06Å; M650-N656 VanDerWaalsContact O-N 3.09Å; N654-N656 PolarHBondContact O-N 3.06Å |
| 657 | Y | 89.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 121.6 | 174.4 | -63.5 | -89.9 | 0 | 0 | 0 | 110 | I606 L608 Y613 I620 V649 I655 | I606-Y657 HydrophobicContact CD1-CD1 4.49Å; I606-Y657 HydrophobicContact CD1-CE1 4.01Å; L608-Y657 HydrophobicContact CD1-CD1 3.95Å; Y613-Y657 PolarHBondContact OH-O 2.96Å; Y613-Y657 VanDerWaalsContact OH-O 3.13Å; I620-Y657 HydrophobicContact CD1-CD2 4.07Å; I620-Y657 HydrophobicContact CD1-CG 4.04Å; I620-Y657 HydrophobicContact CG1-CD2 4.06Å; I620-Y657 HydrophobicContact CG1-CE2 4.26Å; I620-Y657 HydrophobicContact CG1-CG 4.47Å; I620-Y657 HydrophobicContact CG2-CD1 4.19Å; I620-Y657 HydrophobicContact CG2-CD2 4.34Å; I620-Y657 HydrophobicContact CG2-CE1 3.88Å; I620-Y657 HydrophobicContact CG2-CE2 4.02Å; I620-Y657 HydrophobicContact CG2-CG 4.43Å; V649-Y657 HydrophobicContact CB-CD1 4.43Å; V649-Y657 HydrophobicContact CB-CE1 4.35Å; V649-Y657 HydrophobicContact CG1-CD1 4.17Å; V649-Y657 HydrophobicContact CG1-CE1 3.81Å; V649-Y657 HydrophobicContact CG2-CD1 3.66Å; V649-Y657 HydrophobicContact CG2-CE1 3.61Å; I655-Y657 HydrophobicContact CB-CE2 4.2Å; I655-Y657 HydrophobicContact CG2-CD2 4.17Å; I655-Y657 HydrophobicContact CG2-CE2 3.47Å; I655-Y657 VanDerWaalsContact CG2-CE2 3.47Å |
| 658 | R | 89.5 | Confident | 82 | Confident | 116 Ų | 116 | 68.1 Ų | 68.1 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.7 | 173.2 | -71.1 | -177 | 170.2 | 170.2 | -5.1 | 109.9 | A647 F648 M650 | A647-R658 CarbonylContact C-O 3.33Å; A647-R658 VanDerWaalsContact CA-O 3.32Å; A647-R658 WeakPolarHBondContact CA-O 3.37Å; F648-R658 PolarHBondContact N-O 2.85Å; F648-R658 PolarHBondContact O-N 2.94Å; M650-R658 HydrophobicContact CE-CG 4.3Å |
| 659 | K | 91.8 | Very high | 81.5 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 12% | 0.122 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 140.6 | 170.6 | -158.4 | 176.6 | -175 | -175.9 | 0 | 109.6 | Y613 D614 C645 R661 D684 | Y613-K659 HydrophobicContact CD1-CB 4.33Å; Y613-K659 HydrophobicContact CD1-CD 4.01Å; Y613-K659 HydrophobicContact CD1-CG 4.38Å; Y613-K659 HydrophobicContact CE1-CB 3.64Å; Y613-K659 HydrophobicContact CE1-CD 4.01Å; Y613-K659 HydrophobicContact CE1-CG 4.17Å; Y613-K659 PolarHBondContact OH-N 3.5Å; D614-K659 IonicContact OD1-NZ 2.59Å; D614-K659 PolarHBondContact OD1-NZ 3.37Å; D614-K659 IonicContact OD2-NZ 3.94Å; D614-K659 PolarHBondContact OD2-NZ 3Å; C645-K659 HydrophobicContact CB-CG 4.42Å; K659-R661 HydrophobicContact CD-CG 4.47Å; K659-D684 WeakPolarHBondContact CE-OD1 3.29Å; K659-D684 IonicContact NZ-OD1 3.65Å; K659-D684 PolarHBondContact NZ-OD1 2.95Å; K659-D684 IonicContact NZ-OD2 3.36Å; K659-D684 PolarHBondContact NZ-OD2 3.47Å |
| 660 | V | 93.7 | Very high | 80.9 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 104.7 | 173 | 173.9 | 0 | 0 | 0 | 0 | 105.7 | F605 L646 F648 I693 E694 T697 | F605-V660 HydrophobicContact CE1-CG2 4.36Å; L646-V660 WeakPolarHBondContact CB-O 3.38Å; L646-V660 HydrophobicContact CD2-CB 4.18Å; L646-V660 HydrophobicContact CD2-CG1 3.97Å; L646-V660 HydrophobicContact CG-CB 4.28Å; L646-V660 PolarHBondContact O-N 3.16Å; F648-V660 HydrophobicContact CB-CG2 4.31Å; V660-I693 HydrophobicContact CG2-CG2 4.3Å; V660-E694 HydrophobicContact CG1-CB 4.42Å; V660-E694 HydrophobicContact CG1-CG 4.22Å; V660-E694 HydrophobicContact CG2-CB 4.36Å; V660-T697 HydrophobicContact CG1-CG2 3.9Å |
| 661 | R | 91.2 | Very high | 80.8 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 5% | 0.053 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 156 | -176.7 | -63.5 | 165.2 | -63.8 | 145.8 | 1.1 | 110.3 | K659 F663 D684 C686 F688 E694 W698 | K659-R661 HydrophobicContact CD-CG 4.47Å; R661-F663 PolarHBondContact O-N 2.94Å; R661-D684 VanDerWaalsContact CD-OD1 3.26Å; R661-D684 WeakPolarHBondContact CD-OD1 3.46Å; R661-D684 PolarHBondContact NH1-O 2.82Å; R661-C686 PolarHBondContact NH1-O 3.45Å; R661-F688 PolarHBondContact NH2-O 2.74Å; R661-E694 WeakPolarHBondContact CB-OE1 3.4Å; R661-E694 WeakPolarHBondContact CG-OE1 3.47Å; R661-E694 IonicContact CZ-OE1 3.85Å; R661-E694 IonicContact CZ-OE2 2.94Å; R661-E694 PolarHBondContact N-OE1 3Å; R661-E694 IonicContact NE-OE1 3.54Å; R661-E694 PolarHBondContact NE-OE1 2.91Å; R661-E694 IonicContact NE-OE2 2.74Å; R661-E694 IonicContact NH2-OE1 3.81Å; R661-E694 IonicContact NH2-OE2 2.86Å; R661-E694 PolarHBondContact NH2-OE2 3.5Å; R661-W698 HydrophobicContact CB-CZ2 4.47Å; R661-W698 PolarHBondContact O-NE1 3.25Å |
| 662 | P | 86.9 | Confident | 81.5 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 135.9 | 176.3 | -21.7 | 32.6 | 0 | 0 | 0 | 111.7 | L708 | P662-L708 HydrophobicContact CB-CD1 4.11Å; P662-L708 HydrophobicContact CG-CD1 3.99Å |
| 663 | F | 88.8 | Confident | 82.1 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 131.4 | 167.5 | 176 | -112.5 | 0 | 0 | 0 | 110.3 | R661 C667 L669 W698 Q701 R702 | R661-F663 PolarHBondContact O-N 2.94Å; F663-C667 HydrophobicContact CD2-CB 3.82Å; F663-C667 HydrophobicContact CE2-CB 3.86Å; F663-L669 HydrophobicContact CD2-CD2 4.43Å; F663-L669 HydrophobicContact CE2-CD2 4.02Å; F663-W698 HydrophobicContact CB-CB 4.25Å; F663-W698 HydrophobicContact CB-CG 4.02Å; F663-W698 HydrophobicContact CD2-CB 3.74Å; F663-W698 HydrophobicContact CD2-CD2 4.25Å; F663-W698 AromaticContact CD2-CG 3.89Å; F663-W698 HydrophobicContact CD2-CG 3.89Å; F663-W698 HydrophobicContact CG-CB 4.25Å; F663-W698 HydrophobicContact CG-CG 4.38Å; F663-Q701 HydrophobicContact CB-CB 4.13Å; F663-Q701 HydrophobicContact CD1-CB 4.32Å; F663-Q701 HydrophobicContact CG-CB 4.48Å; F663-R702 HydrophobicContact CD1-CB 4.44Å; F663-R702 HydrophobicContact CE1-CB 3.78Å; F663-R702 HydrophobicContact CE1-CG 4.11Å; F663-R702 HydrophobicContact CZ-CB 3.9Å; F663-R702 HydrophobicContact CZ-CG 4.01Å |
| 664 | S | 84.2 | Confident | 83.3 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | trans | -125 | 160 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | V666 C667 | S664-V666 PolarHBondContact O-N 3.35Å; S664-V666 VanDerWaalsContact O-N 3.15Å; S664-C667 PolarHBondContact N-SG 2.87Å; S664-C667 VanDerWaalsContact N-SG 3.38Å; S664-C667 WeakPolarHBondContact O-CB 3.31Å; S664-C667 PolarHBondContact O-N 3.21Å | ||
| 665 | V | 78.8 | Confident | 84 | Confident | 140 Ų | 140 | 61.4 Ų | 61.4 | 85% | 0.848 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.7 | -178.6 | -169.7 | 0 | 0 | 0 | 0 | 112 | C667 | V665-C667 VanDerWaalsContact C-N 3.31Š|
| 666 | V | 79.6 | Confident | 83.3 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 62% | 0.618 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -5.3 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | S664 | S664-V666 PolarHBondContact O-N 3.35Å; S664-V666 VanDerWaalsContact O-N 3.15Å |
| 667 | C | 83.7 | Confident | 81.9 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 10% | 0.095 | 33% | 0.33 | C | S | . | . | trans | -79.9 | 121.8 | -179.4 | -65 | 0 | 0 | 0 | 0 | 111.7 | F663 S664 V665 V687 W698 | F663-C667 HydrophobicContact CD2-CB 3.82Å; F663-C667 HydrophobicContact CE2-CB 3.86Å; S664-C667 PolarHBondContact N-SG 2.87Å; S664-C667 VanDerWaalsContact N-SG 3.38Å; S664-C667 WeakPolarHBondContact O-CB 3.31Å; S664-C667 PolarHBondContact O-N 3.21Å; V665-C667 VanDerWaalsContact C-N 3.31Å; C667-V687 CarbonylContact C-O 3.6Å; C667-V687 WeakPolarHBondContact CA-O 3.27Å; C667-W698 HydrophobicContact CB-CD2 4.44Å; C667-W698 HydrophobicContact CB-CE3 3.9Å; C667-W698 HydrophobicContact CB-CH2 4.12Å; C667-W698 HydrophobicContact CB-CZ3 3.72Å | ||
| 668 | N | 80.3 | Confident | 80.8 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 130.6 | 171.5 | -72.8 | -33.3 | 0 | 0 | 0 | 110.2 | D670 V687 F688 | N668-D670 PolarHBondContact O-N 3.12Å; N668-V687 PolarHBondContact N-O 2.94Å; N668-F688 HydrophobicContact CB-CD1 3.6Å; N668-F688 HydrophobicContact CB-CE1 3.56Å; N668-F688 HydrophobicContact CB-CG 4.38Å; N668-F688 HydrophobicContact CB-CZ 4.32Å; N668-F688 WeakPolarHBondContact ND2-CE1 3.1Å; N668-F688 VanDerWaalsContact ND2-CZ 3.28Å; N668-F688 WeakPolarHBondContact ND2-CZ 3.2Å |
| 669 | L | 82.4 | Confident | 79.9 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 48.9 | 178.3 | -65.8 | -177 | 0 | 0 | 0 | 113 | F663 L695 W698 R699 R702 | F663-L669 HydrophobicContact CD2-CD2 4.43Å; F663-L669 HydrophobicContact CE2-CD2 4.02Å; L669-L695 HydrophobicContact CB-CD1 4.04Å; L669-L695 HydrophobicContact CD2-CD1 4.26Å; L669-L695 WeakPolarHBondContact O-CD1 3.35Å; L669-W698 HydrophobicContact CD2-CB 3.65Å; L669-W698 HydrophobicContact CD2-CE3 4.44Å; L669-R699 HydrophobicContact CD1-CG 4.04Å; L669-R699 HydrophobicContact CD2-CG 4.18Å; L669-R699 PolarHBondContact O-NH2 3.4Å; L669-R702 VanDerWaalsContact CD1-CD 3.41Å |
| 670 | D | 79.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 28% | 0.278 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 166.4 | 173.6 | -156.5 | -4.7 | 0 | 0 | 0 | 110.3 | N668 F688 A689 | N668-D670 PolarHBondContact O-N 3.12Å; D670-F688 HydrophobicContact CB-CD1 4.3Å; D670-A689 PolarHBondContact O-N 2.86Å |
| 671 | L | 82.2 | Confident | 78.7 | Confident | 19 Ų | 19 | 76.8 Ų | 76.8 | 10% | 0.099 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 141.4 | -173.8 | -69.3 | 163 | 0 | 0 | 0 | 113 | Y531 R673 I676 A689 S691 V692 L695 | Y531-L671 HydrophobicContact CD1-CD1 4.23Å; Y531-L671 HydrophobicContact CE1-CD1 3.51Å; L671-R673 PolarHBondContact O-N 2.83Å; L671-I676 HydrophobicContact CB-CD1 3.81Å; L671-I676 HydrophobicContact CD1-CD1 4.07Å; L671-I676 HydrophobicContact CG-CD1 4.34Å; L671-A689 CarbonylContact C-O 3.49Å; L671-A689 WeakPolarHBondContact CA-O 3.37Å; L671-A689 HydrophobicContact CD2-CB 4.11Å; L671-S691 VanDerWaalsContact CD2-C 3.47Å; L671-S691 WeakPolarHBondContact CD2-O 3.28Å; L671-V692 HydrophobicContact CD1-CG2 4.2Å; L671-L695 HydrophobicContact CD1-CD2 4.42Å; L671-L695 HydrophobicContact CD2-CB 4.13Å; L671-L695 HydrophobicContact CD2-CD2 4.2Å; L671-L695 HydrophobicContact CG-CD2 3.9Å |
| 672 | C | 84.4 | Confident | 78.2 | Confident | 10 Ų | 10 | 84.2 Ų | 84.2 | 7% | 0.068 | 42% | 0.422 | C | S | . | . | trans | -74.1 | 109 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 110 | Q674 A675 I676 F688 A689 | C672-Q674 VanDerWaalsContact C-N 3.3Å; C672-Q674 PolarHBondContact O-N 2.68Å; C672-A675 HydrophobicContact CB-CB 3.66Å; C672-A675 WeakPolarHBondContact O-CB 3.46Å; C672-A675 PolarHBondContact O-N 2.82Å; C672-A675 VanDerWaalsContact O-N 3.14Å; C672-A675 PolarHBondContact SG-N 2.67Å; C672-I676 PolarHBondContact O-N 3.08Å; C672-F688 HydrophobicContact CB-CB 3.72Å; C672-A689 PolarHBondContact N-O 3.06Å | ||
| 673 | R | 77.8 | Confident | 78 | Confident | 182 Ų | 182 | 84.9 Ų | 84.9 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -54 | -44.6 | 177.9 | -65.2 | -179.5 | 175.8 | -169.5 | -5.2 | 112.5 | L671 A675 I676 R677 | L671-R673 PolarHBondContact O-N 2.83Å; R673-A675 PolarHBondContact O-N 2.88Å; R673-I676 PolarHBondContact O-N 3.05Å; R673-R677 PolarHBondContact O-N 3.07Å; R673-R677 VanDerWaalsContact O-N 3.15Å |
| 674 | Q | 75.2 | Confident | 77.7 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 178.9 | -53.7 | -55.2 | 54.1 | 0 | 0 | 112.2 | C672 I676 R677 Y678 G679 | C672-Q674 VanDerWaalsContact C-N 3.3Å; C672-Q674 PolarHBondContact O-N 2.68Å; Q674-I676 PolarHBondContact O-N 3.4Å; Q674-R677 PolarHBondContact O-N 2.79Å; Q674-Y678 CarbonylContact O-C 3.56Å; Q674-Y678 PolarHBondContact O-N 3.44Å; Q674-G679 CarbonylContact C-O 3.53Å; Q674-G679 CarbonylContact O-C 3.59Å; Q674-G679 PolarHBondContact O-N 3.2Å |
| 675 | A | 78.8 | Confident | 77.7 | Confident | 24 Ų | 24 | 89.5 Ų | 89.5 | 20% | 0.198 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.9 | -28.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C672 R673 C680 H690 | C672-A675 HydrophobicContact CB-CB 3.66Å; C672-A675 WeakPolarHBondContact O-CB 3.46Å; C672-A675 PolarHBondContact O-N 2.82Å; C672-A675 VanDerWaalsContact O-N 3.14Å; C672-A675 PolarHBondContact SG-N 2.67Å; R673-A675 PolarHBondContact O-N 2.88Å; A675-C680 HydrophobicContact CB-CB 3.89Å; A675-H690 HydrophobicContact CB-CB 3.86Å; A675-H690 VanDerWaalsContact CB-CD2 3.45Å; A675-H690 WeakPolarHBondContact CB-CD2 3.5Å |
| 676 | I | 67.1 | Low | 78.2 | Confident | 85 Ų | 85 | 83.2 Ų | 83.2 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -82.3 | -39.7 | -179.6 | -69 | 173.2 | 0 | 0 | 0 | 112 | L671 C672 R673 Q674 | L671-I676 HydrophobicContact CB-CD1 3.81Å; L671-I676 HydrophobicContact CD1-CD1 4.07Å; L671-I676 HydrophobicContact CG-CD1 4.34Å; C672-I676 PolarHBondContact O-N 3.08Å; R673-I676 PolarHBondContact O-N 3.05Å; Q674-I676 PolarHBondContact O-N 3.4Å |
| 677 | R | 54.8 | Low | 78.5 | Confident | 167 Ų | 167 | 80.6 Ų | 80.6 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -91.8 | -49.4 | -177.6 | -74.5 | -171.2 | 170.9 | -177.3 | -3.7 | 114.5 | R673 Q674 | R673-R677 PolarHBondContact O-N 3.07Å; R673-R677 VanDerWaalsContact O-N 3.15Å; Q674-R677 PolarHBondContact O-N 2.79Å |
| 678 | Y | 65.1 | Low | 78.7 | Confident | 159 Ų | 159 | 83.3 Ų | 83.3 | 62% | 0.624 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -1.4 | -163.9 | -51.2 | -64.4 | 0 | 0 | 0 | 114.4 | Q674 | Q674-Y678 CarbonylContact O-C 3.56Å; Q674-Y678 PolarHBondContact O-N 3.44Å |
| 679 | G | 70.6 | Confident | 79 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | trans | 81.5 | 150.7 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q674 | Q674-G679 CarbonylContact C-O 3.53Å; Q674-G679 CarbonylContact O-C 3.59Å; Q674-G679 PolarHBondContact O-N 3.2Å | ||
| 680 | C | 82.4 | Confident | 79.3 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | trans | -100.6 | 110.1 | -177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | A675 R682 E683 C686 H690 | A675-C680 HydrophobicContact CB-CB 3.89Å; C680-R682 PolarHBondContact O-N 3.07Å; C680-R682 VanDerWaalsContact O-N 3.09Å; C680-E683 PolarHBondContact O-N 3.37Å; C680-C686 VanDerWaalsContact SG-SG 3.67Å; C680-H690 VanDerWaalsContact CB-CE1 3.42Å; C680-H690 WeakPolarHBondContact CB-CE1 3.36Å; C680-H690 VanDerWaalsContact CB-NE2 3.35Å; C680-H690 WeakPolarHBondContact CB-NE2 3.49Å; C680-H690 PolarHBondContact SG-NE2 3.45Å | ||
| 681 | Q | 79.3 | Confident | 79.7 | Confident | 198 Ų | 198 | 80 Ų | 80 | 93% | 0.925 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20.2 | 176.4 | -65.5 | 176.2 | -9.8 | 0 | 0 | 114.1 | E683 | Q681-E683 VanDerWaalsContact C-N 3.26Å; Q681-E683 PolarHBondContact O-N 2.89Å |
| 682 | R | 80.3 | Confident | 79.9 | Confident | 170 Ų | 170 | 81.7 Ų | 81.7 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.6 | 176.6 | -58.8 | -176.7 | -176.4 | -174.4 | 0.7 | 113.1 | C680 D684 N685 C686 | C680-R682 PolarHBondContact O-N 3.07Å; C680-R682 VanDerWaalsContact O-N 3.09Å; R682-D684 PolarHBondContact O-N 3.46Å; R682-N685 WeakPolarHBondContact O-CB 3.23Å; R682-N685 PolarHBondContact O-N 3.35Å; R682-C686 HydrophobicContact CB-CB 4.08Å |
| 683 | E | 82.2 | Confident | 80.1 | Confident | 101 Ų | 101 | 81.5 Ų | 81.5 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | 40.5 | -119.8 | -177.4 | -62.6 | -170.4 | 162.9 | 0 | 0 | 111.7 | K616 C680 Q681 N685 H690 | K616-E683 IonicContact NZ-OE1 3.42Å; K616-E683 PolarHBondContact NZ-OE1 3.23Å; K616-E683 IonicContact NZ-OE2 2.86Å; C680-E683 PolarHBondContact O-N 3.37Å; Q681-E683 VanDerWaalsContact C-N 3.26Å; Q681-E683 PolarHBondContact O-N 2.89Å; E683-N685 VanDerWaalsContact C-N 3.29Å; E683-N685 PolarHBondContact O-N 2.88Å; E683-H690 PolarHBondContact O-CE1 3.4Å |
| 684 | D | 83.6 | Confident | 80.8 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -65.6 | -29.1 | -177.8 | -81.4 | -3.7 | 0 | 0 | 0 | 114 | Q610 K659 R661 R682 C686 | Q610-D684 PolarHBondContact NE2-OD2 2.95Å; K659-D684 WeakPolarHBondContact CE-OD1 3.29Å; K659-D684 IonicContact NZ-OD1 3.65Å; K659-D684 PolarHBondContact NZ-OD1 2.95Å; K659-D684 IonicContact NZ-OD2 3.36Å; K659-D684 PolarHBondContact NZ-OD2 3.47Å; R661-D684 VanDerWaalsContact CD-OD1 3.26Å; R661-D684 WeakPolarHBondContact CD-OD1 3.46Å; R661-D684 PolarHBondContact NH1-O 2.82Å; R682-D684 PolarHBondContact O-N 3.46Å; D684-C686 PolarHBondContact O-N 2.95Å; D684-C686 VanDerWaalsContact O-N 3.08Å |
| 685 | N | 83.9 | Confident | 81.4 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 78% | 0.775 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -73.4 | 3.9 | -176.1 | -59.9 | -51.6 | 0 | 0 | 0 | 114.4 | R682 E683 V687 | R682-N685 WeakPolarHBondContact O-CB 3.23Å; R682-N685 PolarHBondContact O-N 3.35Å; E683-N685 VanDerWaalsContact C-N 3.29Å; E683-N685 PolarHBondContact O-N 2.88Å; N685-V687 PolarHBondContact O-N 3.25Å |
| 686 | C | 87.8 | Confident | 81.8 | Confident | 7 Ų | 7 | 70 Ų | 70 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | trans | -78.6 | 119.5 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | R661 C680 R682 D684 F688 H690 | R661-C686 PolarHBondContact NH1-O 3.45Å; C680-C686 VanDerWaalsContact SG-SG 3.67Å; R682-C686 HydrophobicContact CB-CB 4.08Å; D684-C686 PolarHBondContact O-N 2.95Å; D684-C686 VanDerWaalsContact O-N 3.08Å; C686-F688 PolarHBondContact O-N 3.32Å; C686-F688 VanDerWaalsContact O-N 3.1Å; C686-H690 WeakPolarHBondContact CB-NE2 3.42Å; C686-H690 PolarHBondContact SG-NE2 3.02Å; C686-H690 VanDerWaalsContact SG-NE2 3.37Å | ||
| 687 | V | 87.8 | Confident | 82.9 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -66.7 | -8.4 | 177.2 | -60.9 | 0 | 0 | 0 | 0 | 114.9 | C667 N668 N685 | C667-V687 CarbonylContact C-O 3.6Å; C667-V687 WeakPolarHBondContact CA-O 3.27Å; N668-V687 PolarHBondContact N-O 2.94Å; N685-V687 PolarHBondContact O-N 3.25Å |
| 688 | F | 87.6 | Confident | 84.6 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.8 | 179.2 | -64 | -84.7 | 0 | 0 | 0 | 111.4 | R661 N668 D670 C672 C686 H690 | R661-F688 PolarHBondContact NH2-O 2.74Å; N668-F688 HydrophobicContact CB-CD1 3.6Å; N668-F688 HydrophobicContact CB-CE1 3.56Å; N668-F688 HydrophobicContact CB-CG 4.38Å; N668-F688 HydrophobicContact CB-CZ 4.32Å; N668-F688 WeakPolarHBondContact ND2-CE1 3.1Å; N668-F688 VanDerWaalsContact ND2-CZ 3.28Å; N668-F688 WeakPolarHBondContact ND2-CZ 3.2Å; D670-F688 HydrophobicContact CB-CD1 4.3Å; C672-F688 HydrophobicContact CB-CB 3.72Å; C686-F688 PolarHBondContact O-N 3.32Å; C686-F688 VanDerWaalsContact O-N 3.1Å; F688-H690 PolarHBondContact O-CD2 3.46Å |
| 689 | A | 86.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D670 L671 C672 E694 L695 W698 | D670-A689 PolarHBondContact O-N 2.86Å; L671-A689 CarbonylContact C-O 3.49Å; L671-A689 WeakPolarHBondContact CA-O 3.37Å; L671-A689 HydrophobicContact CD2-CB 4.11Å; C672-A689 PolarHBondContact N-O 3.06Å; A689-E694 WeakPolarHBondContact CA-OE2 3.5Å; A689-E694 HydrophobicContact CB-CB 4.48Å; A689-E694 HydrophobicContact CB-CG 4.37Å; A689-L695 HydrophobicContact CB-CB 3.66Å; A689-L695 HydrophobicContact CB-CD1 4.42Å; A689-W698 HydrophobicContact CB-CE3 3.96Å; A689-W698 HydrophobicContact CB-CH2 4.26Å; A689-W698 HydrophobicContact CB-CZ3 3.79Å |
| 690 | H | 88.4 | Confident | 86.3 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -86.1 | -8.4 | -179.9 | -69.1 | -175.5 | 0 | 0 | 0 | 113.2 | A675 C680 E683 C686 F688 E694 | A675-H690 HydrophobicContact CB-CB 3.86Å; A675-H690 VanDerWaalsContact CB-CD2 3.45Å; A675-H690 WeakPolarHBondContact CB-CD2 3.5Å; C680-H690 VanDerWaalsContact CB-CE1 3.42Å; C680-H690 WeakPolarHBondContact CB-CE1 3.36Å; C680-H690 VanDerWaalsContact CB-NE2 3.35Å; C680-H690 WeakPolarHBondContact CB-NE2 3.49Å; C680-H690 PolarHBondContact SG-NE2 3.45Å; E683-H690 PolarHBondContact O-CE1 3.4Å; C686-H690 WeakPolarHBondContact CB-NE2 3.42Å; C686-H690 PolarHBondContact SG-NE2 3.02Å; C686-H690 VanDerWaalsContact SG-NE2 3.37Å; F688-H690 PolarHBondContact O-CD2 3.46Å; H690-E694 PolarHBondContact N-OE2 2.86Å |
| 691 | S | 88 | Confident | 86.6 | Confident | 13 Ų | 13 | 53 Ų | 53 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -152.6 | 158.5 | 171.7 | 73.4 | 0 | 0 | 0 | 0 | 112.6 | L671 I693 E694 L695 | L671-S691 VanDerWaalsContact CD2-C 3.47Å; L671-S691 WeakPolarHBondContact CD2-O 3.28Å; S691-I693 PolarHBondContact O-N 3Å; S691-E694 PolarHBondContact O-N 3.38Å; S691-E694 VanDerWaalsContact O-N 3.15Å; S691-E694 WeakPolarHBondContact OG-CB 3.48Å; S691-E694 PolarHBondContact OG-N 3.42Å; S691-E694 VanDerWaalsContact OG-N 3.15Å; S691-L695 PolarHBondContact O-N 3.16Å |
| 692 | V | 85.9 | Confident | 86.8 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 32% | 0.321 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -35.9 | 175.4 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | L671 K696 | L671-V692 HydrophobicContact CD1-CG2 4.2Å; V692-K696 HydrophobicContact CG1-CD 4.18Å; V692-K696 WeakPolarHBondContact O-CB 3.46Å; V692-K696 WeakPolarHBondContact O-CG 3.13Å; V692-K696 PolarHBondContact O-N 3.11Å |
| 693 | I | 89.3 | Confident | 86.6 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.4 | -42.8 | 178 | -66.1 | 150.8 | 0 | 0 | 0 | 110.7 | H601 F605 F648 M650 V660 S691 K696 T697 | H601-I693 HydrophobicContact CB-CD1 4.43Å; H601-I693 HydrophobicContact CB-CG1 4.24Å; F605-I693 HydrophobicContact CE1-CG2 4.43Å; F605-I693 HydrophobicContact CZ-CG2 4.41Å; F648-I693 HydrophobicContact CB-CG2 3.79Å; F648-I693 HydrophobicContact CD1-CD1 3.67Å; F648-I693 HydrophobicContact CD1-CG1 4.35Å; F648-I693 HydrophobicContact CD1-CG2 4.02Å; F648-I693 HydrophobicContact CD2-CG2 3.96Å; F648-I693 HydrophobicContact CE1-CD1 3.93Å; F648-I693 HydrophobicContact CE1-CG1 4.45Å; F648-I693 HydrophobicContact CG-CD1 4.43Å; F648-I693 HydrophobicContact CG-CG2 3.67Å; M650-I693 HydrophobicContact CE-CD1 4.43Å; M650-I693 HydrophobicContact SD-CD1 3.88Å; V660-I693 HydrophobicContact CG2-CG2 4.3Å; S691-I693 PolarHBondContact O-N 3Å; I693-K696 PolarHBondContact O-N 3.3Å; I693-T697 WeakPolarHBondContact O-CB 3.5Å; I693-T697 PolarHBondContact O-N 3.5Å; I693-T697 PolarHBondContact O-OG1 3.42Å |
| 694 | E | 91.5 | Very high | 86.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 174.4 | -177.1 | 176 | -114.1 | 0 | 0 | 110.7 | V660 R661 A689 H690 S691 K696 T697 W698 | V660-E694 HydrophobicContact CG1-CB 4.42Å; V660-E694 HydrophobicContact CG1-CG 4.22Å; V660-E694 HydrophobicContact CG2-CB 4.36Å; R661-E694 WeakPolarHBondContact CB-OE1 3.4Å; R661-E694 WeakPolarHBondContact CG-OE1 3.47Å; R661-E694 IonicContact CZ-OE1 3.85Å; R661-E694 IonicContact CZ-OE2 2.94Å; R661-E694 PolarHBondContact N-OE1 3Å; R661-E694 IonicContact NE-OE1 3.54Å; R661-E694 PolarHBondContact NE-OE1 2.91Å; R661-E694 IonicContact NE-OE2 2.74Å; R661-E694 IonicContact NH2-OE1 3.81Å; R661-E694 IonicContact NH2-OE2 2.86Å; R661-E694 PolarHBondContact NH2-OE2 3.5Å; A689-E694 WeakPolarHBondContact CA-OE2 3.5Å; A689-E694 HydrophobicContact CB-CB 4.48Å; A689-E694 HydrophobicContact CB-CG 4.37Å; H690-E694 PolarHBondContact N-OE2 2.86Å; S691-E694 PolarHBondContact O-N 3.38Å; S691-E694 VanDerWaalsContact O-N 3.15Å; S691-E694 WeakPolarHBondContact OG-CB 3.48Å; S691-E694 PolarHBondContact OG-N 3.42Å; S691-E694 VanDerWaalsContact OG-N 3.15Å; E694-K696 PolarHBondContact O-N 3.05Å; E694-T697 PolarHBondContact O-N 3Å; E694-W698 HydrophobicContact CG-CD2 4.23Å; E694-W698 HydrophobicContact CG-CZ2 3.85Å; E694-W698 PolarHBondContact O-N 3.11Å |
| 695 | L | 88.1 | Confident | 86.5 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.9 | 175.4 | 56 | 0 | 0 | 0 | 112.4 | L669 L671 A689 S691 T697 W698 R699 | L669-L695 HydrophobicContact CB-CD1 4.04Å; L669-L695 HydrophobicContact CD2-CD1 4.26Å; L669-L695 WeakPolarHBondContact O-CD1 3.35Å; L671-L695 HydrophobicContact CD1-CD2 4.42Å; L671-L695 HydrophobicContact CD2-CB 4.13Å; L671-L695 HydrophobicContact CD2-CD2 4.2Å; L671-L695 HydrophobicContact CG-CD2 3.9Å; A689-L695 HydrophobicContact CB-CB 3.66Å; A689-L695 HydrophobicContact CB-CD1 4.42Å; S691-L695 PolarHBondContact O-N 3.16Å; L695-T697 VanDerWaalsContact C-N 3.35Å; L695-W698 PolarHBondContact O-N 3.31Å; L695-R699 HydrophobicContact CD1-CG 4.44Å; L695-R699 WeakPolarHBondContact O-CG 3.35Å; L695-R699 PolarHBondContact O-N 2.9Å |
| 696 | K | 87.9 | Confident | 86.7 | Confident | 60 Ų | 60 | 36.3 Ų | 36.3 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.1 | -36.3 | 178.4 | -77.6 | -179.2 | 172.3 | -174.4 | 0 | 112.2 | L597 E600 V692 I693 E694 R699 V700 | L597-K696 HydrophobicContact CD1-CB 4.26Å; L597-K696 HydrophobicContact CD2-CB 3.7Å; L597-K696 HydrophobicContact CD2-CD 3.84Å; L597-K696 HydrophobicContact CD2-CG 4.25Å; E600-K696 IonicContact OE1-NZ 3.66Å; E600-K696 PolarHBondContact OE1-NZ 3.14Å; E600-K696 IonicContact OE2-NZ 3.48Å; E600-K696 PolarHBondContact OE2-NZ 3.46Å; V692-K696 HydrophobicContact CG1-CD 4.18Å; V692-K696 WeakPolarHBondContact O-CB 3.46Å; V692-K696 WeakPolarHBondContact O-CG 3.13Å; V692-K696 PolarHBondContact O-N 3.11Å; I693-K696 PolarHBondContact O-N 3.3Å; E694-K696 PolarHBondContact O-N 3.05Å; K696-R699 WeakPolarHBondContact O-CB 3.22Å; K696-R699 PolarHBondContact O-N 2.94Å; K696-V700 PolarHBondContact O-N 2.78Å |
| 697 | T | 89.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 173.6 | -51 | 0 | 0 | 0 | 0 | 110.5 | F605 V660 I693 E694 L695 R699 V700 Q701 I711 | F605-T697 HydrophobicContact CE1-CG2 4.23Å; F605-T697 HydrophobicContact CZ-CG2 4.33Å; F605-T697 WeakPolarHBondContact CZ-OG1 3.46Å; V660-T697 HydrophobicContact CG1-CG2 3.9Å; I693-T697 WeakPolarHBondContact O-CB 3.5Å; I693-T697 PolarHBondContact O-N 3.5Å; I693-T697 PolarHBondContact O-OG1 3.42Å; E694-T697 PolarHBondContact O-N 3Å; L695-T697 VanDerWaalsContact C-N 3.35Å; T697-R699 VanDerWaalsContact C-N 3.27Å; T697-R699 PolarHBondContact O-N 3.46Å; T697-V700 PolarHBondContact O-N 3.4Å; T697-V700 VanDerWaalsContact O-N 3.11Å; T697-Q701 HydrophobicContact CG2-CG 4.44Å; T697-Q701 WeakPolarHBondContact O-CG 3.39Å; T697-Q701 PolarHBondContact O-N 3.47Å; T697-I711 HydrophobicContact CG2-CD1 3.87Å |
| 698 | W | 90.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -38 | 175 | -68.5 | -1.5 | 0 | 0 | 0 | 112.6 | R661 F663 C667 L669 A689 E694 L695 Q701 R702 | R661-W698 HydrophobicContact CB-CZ2 4.47Å; R661-W698 PolarHBondContact O-NE1 3.25Å; F663-W698 HydrophobicContact CB-CB 4.25Å; F663-W698 HydrophobicContact CB-CG 4.02Å; F663-W698 HydrophobicContact CD2-CB 3.74Å; F663-W698 HydrophobicContact CD2-CD2 4.25Å; F663-W698 AromaticContact CD2-CG 3.89Å; F663-W698 HydrophobicContact CD2-CG 3.89Å; F663-W698 HydrophobicContact CG-CB 4.25Å; F663-W698 HydrophobicContact CG-CG 4.38Å; C667-W698 HydrophobicContact CB-CD2 4.44Å; C667-W698 HydrophobicContact CB-CE3 3.9Å; C667-W698 HydrophobicContact CB-CH2 4.12Å; C667-W698 HydrophobicContact CB-CZ3 3.72Å; L669-W698 HydrophobicContact CD2-CB 3.65Å; L669-W698 HydrophobicContact CD2-CE3 4.44Å; A689-W698 HydrophobicContact CB-CE3 3.96Å; A689-W698 HydrophobicContact CB-CH2 4.26Å; A689-W698 HydrophobicContact CB-CZ3 3.79Å; E694-W698 HydrophobicContact CG-CD2 4.23Å; E694-W698 HydrophobicContact CG-CZ2 3.85Å; E694-W698 PolarHBondContact O-N 3.11Å; L695-W698 PolarHBondContact O-N 3.31Å; W698-Q701 PolarHBondContact O-N 3.17Å; W698-R702 WeakPolarHBondContact O-CB 3.35Å; W698-R702 PolarHBondContact O-N 3.47Å |
| 699 | R | 85.9 | Confident | 86.9 | Confident | 74 Ų | 74 | 37.7 Ų | 37.7 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -49.3 | 172.7 | -74 | 172.5 | -172.1 | -144.5 | -5.9 | 111.4 | R571 L669 L695 K696 T697 Q701 R702 H703 | R571-R699 PolarHBondContact O-NH2 2.84Å; L669-R699 HydrophobicContact CD1-CG 4.04Å; L669-R699 HydrophobicContact CD2-CG 4.18Å; L669-R699 PolarHBondContact O-NH2 3.4Å; L695-R699 HydrophobicContact CD1-CG 4.44Å; L695-R699 WeakPolarHBondContact O-CG 3.35Å; L695-R699 PolarHBondContact O-N 2.9Å; K696-R699 WeakPolarHBondContact O-CB 3.22Å; K696-R699 PolarHBondContact O-N 2.94Å; T697-R699 VanDerWaalsContact C-N 3.27Å; T697-R699 PolarHBondContact O-N 3.46Å; R699-Q701 PolarHBondContact O-N 3Å; R699-R702 PolarHBondContact O-N 3.23Å; R699-H703 PolarHBondContact O-N 3.25Å; R699-H703 VanDerWaalsContact O-N 3.13Å; R699-H703 PolarHBondContact O-ND1 3.2Å |
| 700 | V | 85.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | I594 L597 K696 T697 R702 H703 T704 I706 | I594-V700 HydrophobicContact CG1-CG1 4.39Å; L597-V700 HydrophobicContact CD1-CG2 3.78Å; L597-V700 HydrophobicContact CG-CG2 4.5Å; K696-V700 PolarHBondContact O-N 2.78Å; T697-V700 PolarHBondContact O-N 3.4Å; T697-V700 VanDerWaalsContact O-N 3.11Å; V700-R702 VanDerWaalsContact C-N 3.32Å; V700-R702 PolarHBondContact O-N 3.46Å; V700-H703 PolarHBondContact O-N 3.05Å; V700-T704 HydrophobicContact CG1-CG2 4.3Å; V700-T704 PolarHBondContact O-N 2.98Å; V700-T704 PolarHBondContact O-OG1 3.47Å; V700-I706 HydrophobicContact CG1-CG2 4.03Å |
| 701 | Q | 87.6 | Confident | 87.2 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 178 | -66.8 | -163.4 | -83.4 | 0 | 0 | 113.2 | F663 T697 W698 R699 G705 I706 I711 | F663-Q701 HydrophobicContact CB-CB 4.13Å; F663-Q701 HydrophobicContact CD1-CB 4.32Å; F663-Q701 HydrophobicContact CG-CB 4.48Å; T697-Q701 HydrophobicContact CG2-CG 4.44Å; T697-Q701 WeakPolarHBondContact O-CG 3.39Å; T697-Q701 PolarHBondContact O-N 3.47Å; W698-Q701 PolarHBondContact O-N 3.17Å; R699-Q701 PolarHBondContact O-N 3Å; Q701-G705 VanDerWaalsContact O-CA 3.27Å; Q701-G705 WeakPolarHBondContact O-CA 3.24Å; Q701-G705 PolarHBondContact O-N 2.75Å; Q701-I706 HydrophobicContact CG-CG2 4.3Å; Q701-I706 WeakPolarHBondContact CG-O 3.23Å; Q701-I706 PolarHBondContact NE2-O 2.9Å; Q701-I711 HydrophobicContact CG-CD1 3.82Å |
| 702 | R | 83.6 | Confident | 87.5 | Confident | 94 Ų | 94 | 38.5 Ų | 38.5 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.5 | -174.3 | -177.9 | 178 | 138 | -7.6 | 113.5 | F663 L669 W698 R699 V700 | F663-R702 HydrophobicContact CD1-CB 4.44Å; F663-R702 HydrophobicContact CE1-CB 3.78Å; F663-R702 HydrophobicContact CE1-CG 4.11Å; F663-R702 HydrophobicContact CZ-CB 3.9Å; F663-R702 HydrophobicContact CZ-CG 4.01Å; L669-R702 VanDerWaalsContact CD1-CD 3.41Å; W698-R702 WeakPolarHBondContact O-CB 3.35Å; W698-R702 PolarHBondContact O-N 3.47Å; R699-R702 PolarHBondContact O-N 3.23Å; V700-R702 VanDerWaalsContact C-N 3.32Å; V700-R702 PolarHBondContact O-N 3.46Å |
| 703 | H | 76.1 | Confident | 87.7 | Confident | 109 Ų | 109 | 40.4 Ų | 40.4 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -86.5 | -24.5 | -176.2 | -64.8 | 89.3 | 0 | 0 | 0 | 113.3 | R699 V700 | R699-H703 PolarHBondContact O-N 3.25Å; R699-H703 VanDerWaalsContact O-N 3.13Å; R699-H703 PolarHBondContact O-ND1 3.2Å; V700-H703 PolarHBondContact O-N 3.05Å |
| 704 | T | 81.7 | Confident | 87.8 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 20% | 0.202 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -119.6 | -7.8 | -173.3 | 72.7 | 0 | 0 | 0 | 0 | 114.6 | L588 V700 I706 | L588-T704 HydrophobicContact CB-CG2 4.45Å; L588-T704 WeakPolarHBondContact O-CG2 3.13Å; V700-T704 HydrophobicContact CG1-CG2 4.3Å; V700-T704 PolarHBondContact O-N 2.98Å; V700-T704 PolarHBondContact O-OG1 3.47Å; T704-I706 PolarHBondContact O-N 3.46Å; T704-I706 WeakPolarHBondContact OG1-CG2 3.5Å |
| 705 | G | 82.6 | Confident | 87.9 | Confident | 66 Ų | 66 | 40.4 Ų | 40.4 | 68% | 0.68 | 21% | 0.212 | S | C | * | . | trans | 69.5 | 8.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q701 | Q701-G705 VanDerWaalsContact O-CA 3.27Å; Q701-G705 WeakPolarHBondContact O-CA 3.24Å; Q701-G705 PolarHBondContact O-N 2.75Å | ||
| 706 | I | 87.9 | Confident | 87.9 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | trans | -69.3 | 136.2 | -168.6 | -167.4 | 153.6 | 0 | 0 | 0 | 113.9 | P590 I594 V700 Q701 T704 E710 I711 | P590-I706 HydrophobicContact CB-CB 4.18Å; P590-I706 HydrophobicContact CB-CD1 3.43Å; P590-I706 VanDerWaalsContact CB-CD1 3.43Å; P590-I706 HydrophobicContact CB-CG1 4.34Å; I594-I706 HydrophobicContact CD1-CD1 3.44Å; I594-I706 VanDerWaalsContact CD1-CD1 3.44Å; I594-I706 HydrophobicContact CD1-CG1 4.34Å; I594-I706 HydrophobicContact CD1-CG2 4.46Å; V700-I706 HydrophobicContact CG1-CG2 4.03Å; Q701-I706 HydrophobicContact CG-CG2 4.3Å; Q701-I706 WeakPolarHBondContact CG-O 3.23Å; Q701-I706 PolarHBondContact NE2-O 2.9Å; T704-I706 PolarHBondContact O-N 3.46Å; T704-I706 WeakPolarHBondContact OG1-CG2 3.5Å; I706-E710 HydrophobicContact CD1-CB 3.76Å; I706-E710 HydrophobicContact CG1-CB 3.64Å; I706-I711 HydrophobicContact CG1-CG1 4.34Å; I706-I711 HydrophobicContact CG2-CD1 4.1Å; I706-I711 HydrophobicContact CG2-CG1 3.98Å | ||
| 707 | S | 88.8 | Confident | 87.9 | Confident | 59 Ų | 59 | 49 Ų | 49 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | trans | -76.6 | 156.2 | 178.5 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | D709 E710 I711 | S707-D709 PolarHBondContact O-N 3.49Å; S707-E710 PolarHBondContact O-N 2.64Å; S707-E710 PolarHBondContact OG-N 2.66Å; S707-I711 WeakPolarHBondContact O-CG1 3.07Å; S707-I711 PolarHBondContact O-N 3.41Å | ||
| 708 | L | 89.8 | Confident | 87.9 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 177.5 | -56.3 | 172.6 | 0 | 0 | 0 | 111.8 | F607 L646 P662 I711 V712 | F607-L708 HydrophobicContact CE1-CB 4.24Å; F607-L708 HydrophobicContact CZ-CB 4.12Å; L646-L708 HydrophobicContact CD2-CD2 3.67Å; P662-L708 HydrophobicContact CB-CD1 4.11Å; P662-L708 HydrophobicContact CG-CD1 3.99Å; L708-I711 HydrophobicContact CD2-CD1 4.39Å; L708-I711 PolarHBondContact O-N 2.96Å; L708-V712 PolarHBondContact O-N 3.17Å; L708-V712 VanDerWaalsContact O-N 3.15Å |
| 709 | D | 88.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | 177.2 | -72.7 | -80.1 | 0 | 0 | 0 | 112.6 | F607 K644 S707 V712 K713 | F607-D709 HydrophobicContact CE2-CB 4.48Å; F607-D709 WeakPolarHBondContact CE2-OD1 3.09Å; F607-D709 HydrophobicContact CZ-CB 4.46Å; F607-D709 WeakPolarHBondContact CZ-OD1 3.49Å; K644-D709 IonicContact NZ-OD1 3.17Å; K644-D709 PolarHBondContact NZ-OD1 3.02Å; K644-D709 IonicContact NZ-OD2 3.6Å; K644-D709 PolarHBondContact NZ-OD2 3.5Å; S707-D709 PolarHBondContact O-N 3.49Å; D709-V712 PolarHBondContact O-N 2.87Å; D709-K713 WeakPolarHBondContact O-CD 3.29Å; D709-K713 VanDerWaalsContact O-CG 3.26Å; D709-K713 WeakPolarHBondContact O-CG 3.12Å; D709-K713 PolarHBondContact O-N 3.48Å |
| 710 | E | 90.5 | Very high | 87.6 | Confident | 66 Ų | 66 | 53 Ų | 53 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71 | -34.8 | 171.7 | -68.7 | -52.1 | 138.4 | 0 | 0 | 112.3 | I706 S707 V712 K713 V714 | I706-E710 HydrophobicContact CD1-CB 3.76Å; I706-E710 HydrophobicContact CG1-CB 3.64Å; S707-E710 PolarHBondContact O-N 2.64Å; S707-E710 PolarHBondContact OG-N 2.66Å; E710-V712 VanDerWaalsContact C-N 3.31Å; E710-V712 PolarHBondContact O-N 2.98Å; E710-K713 VanDerWaalsContact CD-CD 3.45Å; E710-K713 PolarHBondContact O-N 3.13Å; E710-K713 WeakPolarHBondContact OE1-CD 3.43Å; E710-K713 WeakPolarHBondContact OE1-CE 3.36Å; E710-K713 IonicContact OE1-NZ 2.66Å; E710-K713 PolarHBondContact OE1-NZ 3.48Å; E710-K713 VanDerWaalsContact OE2-CD 3.27Å; E710-K713 WeakPolarHBondContact OE2-CD 3.43Å; E710-V714 WeakPolarHBondContact O-CB 3.47Å; E710-V714 WeakPolarHBondContact O-CG2 3.24Å; E710-V714 PolarHBondContact O-N 2.65Å |
| 711 | I | 92.2 | Very high | 87.6 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 171.6 | -70.7 | 161.7 | 0 | 0 | 0 | 111.1 | I594 F605 L646 T697 Q701 I706 S707 L708 S715 | I594-I711 HydrophobicContact CD1-CB 4.29Å; I594-I711 HydrophobicContact CD1-CG1 3.76Å; I594-I711 HydrophobicContact CG1-CG1 4.24Å; F605-I711 HydrophobicContact CB-CG2 3.94Å; F605-I711 HydrophobicContact CD1-CG2 3.89Å; F605-I711 HydrophobicContact CD2-CG2 3.54Å; F605-I711 HydrophobicContact CE1-CG2 4.25Å; F605-I711 HydrophobicContact CE2-CG2 3.96Å; F605-I711 HydrophobicContact CG-CG2 3.52Å; F605-I711 HydrophobicContact CZ-CG2 4.29Å; L646-I711 HydrophobicContact CD2-CG2 4.35Å; T697-I711 HydrophobicContact CG2-CD1 3.87Å; Q701-I711 HydrophobicContact CG-CD1 3.82Å; I706-I711 HydrophobicContact CG1-CG1 4.34Å; I706-I711 HydrophobicContact CG2-CD1 4.1Å; I706-I711 HydrophobicContact CG2-CG1 3.98Å; S707-I711 WeakPolarHBondContact O-CG1 3.07Å; S707-I711 PolarHBondContact O-N 3.41Å; L708-I711 HydrophobicContact CD2-CD1 4.39Å; L708-I711 PolarHBondContact O-N 2.96Å; I711-S715 WeakPolarHBondContact O-CB 3.3Å; I711-S715 PolarHBondContact O-N 3.24Å |
| 712 | V | 92.5 | Very high | 87.2 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | F605 F607 L646 L708 D709 E710 V714 S715 M716 | F605-V712 HydrophobicContact CB-CG2 4.25Å; F607-V712 HydrophobicContact CD2-CB 4.31Å; F607-V712 HydrophobicContact CD2-CG1 4.27Å; F607-V712 HydrophobicContact CD2-CG2 3.88Å; F607-V712 HydrophobicContact CE2-CB 4Å; F607-V712 HydrophobicContact CE2-CG1 4.41Å; F607-V712 HydrophobicContact CE2-CG2 3.67Å; F607-V712 HydrophobicContact CG-CG2 4.42Å; F607-V712 HydrophobicContact CZ-CG2 4.03Å; L646-V712 HydrophobicContact CD1-CG2 3.34Å; L708-V712 PolarHBondContact O-N 3.17Å; L708-V712 VanDerWaalsContact O-N 3.15Å; D709-V712 PolarHBondContact O-N 2.87Å; E710-V712 VanDerWaalsContact C-N 3.31Å; E710-V712 PolarHBondContact O-N 2.98Å; V712-V714 PolarHBondContact O-N 2.79Å; V712-S715 PolarHBondContact O-N 2.96Å; V712-M716 HydrophobicContact CG1-CG 4.3Å; V712-M716 HydrophobicContact CG1-SD 3.97Å; V712-M716 WeakPolarHBondContact O-CG 3.45Å; V712-M716 PolarHBondContact O-N 3.04Å |
| 713 | K | 91.2 | Very high | 86.9 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 40% | 0.404 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 176.8 | -73.2 | 159.9 | 178.2 | 168 | 0 | 112.4 | D709 E710 R717 | D709-K713 WeakPolarHBondContact O-CD 3.29Å; D709-K713 VanDerWaalsContact O-CG 3.26Å; D709-K713 WeakPolarHBondContact O-CG 3.12Å; D709-K713 PolarHBondContact O-N 3.48Å; E710-K713 VanDerWaalsContact CD-CD 3.45Å; E710-K713 PolarHBondContact O-N 3.13Å; E710-K713 WeakPolarHBondContact OE1-CD 3.43Å; E710-K713 WeakPolarHBondContact OE1-CE 3.36Å; E710-K713 IonicContact OE1-NZ 2.66Å; E710-K713 PolarHBondContact OE1-NZ 3.48Å; E710-K713 VanDerWaalsContact OE2-CD 3.27Å; E710-K713 WeakPolarHBondContact OE2-CD 3.43Å; K713-R717 WeakPolarHBondContact O-CB 3.26Å; K713-R717 WeakPolarHBondContact O-CD 3.2Å; K713-R717 VanDerWaalsContact O-CG 3.25Å; K713-R717 WeakPolarHBondContact O-CG 3.29Å; K713-R717 PolarHBondContact O-N 3.08Å; K713-R717 VanDerWaalsContact O-N 3.09Å |
| 714 | V | 90.9 | Very high | 87 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.4 | V591 I594 I595 E710 V712 M716 R717 F718 | V591-V714 HydrophobicContact CB-CG2 4.42Å; V591-V714 HydrophobicContact CG1-CG1 3.89Å; V591-V714 HydrophobicContact CG1-CG2 4.16Å; V591-V714 HydrophobicContact CG2-CG2 4.03Å; I594-V714 HydrophobicContact CB-CB 4.49Å; I594-V714 HydrophobicContact CB-CG1 3.85Å; I594-V714 HydrophobicContact CD1-CB 4.05Å; I594-V714 HydrophobicContact CD1-CG1 4.23Å; I594-V714 HydrophobicContact CD1-CG2 4.11Å; I594-V714 HydrophobicContact CG2-CB 4.15Å; I594-V714 HydrophobicContact CG2-CG1 3.67Å; I595-V714 HydrophobicContact CG1-CG1 4.22Å; E710-V714 WeakPolarHBondContact O-CB 3.47Å; E710-V714 WeakPolarHBondContact O-CG2 3.24Å; E710-V714 PolarHBondContact O-N 2.65Å; V712-V714 PolarHBondContact O-N 2.79Å; V714-M716 PolarHBondContact O-N 2.89Å; V714-R717 PolarHBondContact O-N 3.45Å; V714-F718 WeakPolarHBondContact O-CB 3.21Å; V714-F718 PolarHBondContact O-N 3.31Å |
| 715 | S | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 113.8 | L598 M604 F605 I711 V712 Y719 | L598-S715 VanDerWaalsContact CD2-OG 3.29Å; L598-S715 WeakPolarHBondContact CD2-OG 3.48Å; M604-S715 WeakPolarHBondContact CA-OG 3.38Å; M604-S715 WeakPolarHBondContact CB-OG 3.35Å; F605-S715 PolarHBondContact N-OG 2.9Å; I711-S715 WeakPolarHBondContact O-CB 3.3Å; I711-S715 PolarHBondContact O-N 3.24Å; V712-S715 PolarHBondContact O-N 2.96Å; S715-Y719 WeakPolarHBondContact O-CD2 3.35Å; S715-Y719 PolarHBondContact O-N 3.38Å |
| 716 | M | 88.7 | Confident | 86.1 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -54.3 | 175.7 | -70.1 | 177.2 | 67.4 | 0 | 0 | 110.3 | V712 V714 F718 Y719 D720 | V712-M716 HydrophobicContact CG1-CG 4.3Å; V712-M716 HydrophobicContact CG1-SD 3.97Å; V712-M716 WeakPolarHBondContact O-CG 3.45Å; V712-M716 PolarHBondContact O-N 3.04Å; V714-M716 PolarHBondContact O-N 2.89Å; M716-F718 PolarHBondContact O-N 3.15Å; M716-F718 VanDerWaalsContact O-N 3.13Å; M716-Y719 PolarHBondContact O-N 2.87Å; M716-D720 PolarHBondContact O-N 3.41Å |
| 717 | R | 88.8 | Confident | 85.2 | Confident | 159 Ų | 159 | 68.9 Ų | 68.9 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -53.9 | -37.3 | 178.9 | -71.3 | 169.4 | -179.8 | 166.2 | 1.2 | 113.2 | K713 V714 K721 | K713-R717 WeakPolarHBondContact O-CB 3.26Å; K713-R717 WeakPolarHBondContact O-CD 3.2Å; K713-R717 VanDerWaalsContact O-CG 3.25Å; K713-R717 WeakPolarHBondContact O-CG 3.29Å; K713-R717 PolarHBondContact O-N 3.08Å; K713-R717 VanDerWaalsContact O-N 3.09Å; V714-R717 PolarHBondContact O-N 3.45Å; R717-K721 WeakPolarHBondContact O-CB 3.47Å; R717-K721 PolarHBondContact O-N 3.42Å; R717-K721 VanDerWaalsContact O-N 3.08Å |
| 718 | F | 89 | Confident | 84.3 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.1 | 179.5 | -110.8 | 0 | 0 | 0 | 112.4 | I595 L598 Q599 V714 M716 K721 Q722 | I595-F718 HydrophobicContact CD1-CD2 4.3Å; I595-F718 HydrophobicContact CG1-CD2 3.91Å; I595-F718 HydrophobicContact CG1-CE2 4.47Å; I595-F718 HydrophobicContact CG1-CG 4.33Å; I595-F718 HydrophobicContact CG2-CD2 4.04Å; I595-F718 HydrophobicContact CG2-CE2 3.73Å; I595-F718 HydrophobicContact CG2-CZ 4.32Å; L598-F718 HydrophobicContact CB-CD1 3.87Å; L598-F718 HydrophobicContact CB-CE1 3.83Å; L598-F718 HydrophobicContact CD1-CB 3.91Å; L598-F718 HydrophobicContact CD1-CD1 3.67Å; L598-F718 HydrophobicContact CD1-CE1 4.45Å; L598-F718 HydrophobicContact CD1-CG 3.96Å; L598-F718 HydrophobicContact CG-CD1 4.37Å; Q599-F718 HydrophobicContact CG-CE1 4.3Å; Q599-F718 HydrophobicContact CG-CE2 4.44Å; Q599-F718 HydrophobicContact CG-CZ 3.62Å; V714-F718 WeakPolarHBondContact O-CB 3.21Å; V714-F718 PolarHBondContact O-N 3.31Å; M716-F718 PolarHBondContact O-N 3.15Å; M716-F718 VanDerWaalsContact O-N 3.13Å; F718-K721 PolarHBondContact O-N 3.27Å; F718-Q722 PolarHBondContact O-N 3.45Å |
| 719 | Y | 83.9 | Confident | 82.6 | Confident | 46 Ų | 46 | 76 Ų | 76 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.1 | -41.1 | 178.1 | -90 | -90.9 | 0 | 0 | 0 | 112.6 | L598 G603 M604 S715 M716 K721 Q722 E723 | L598-Y719 HydrophobicContact CD2-CE2 4.43Å; G603-Y719 WeakPolarHBondContact CA-OH 3.39Å; G603-Y719 PolarHBondContact N-OH 2.73Å; G603-Y719 WeakPolarHBondContact O-CE2 3.49Å; G603-Y719 PolarHBondContact O-OH 3.2Å; M604-Y719 HydrophobicContact CB-CD2 3.82Å; M604-Y719 HydrophobicContact CB-CE2 3.58Å; S715-Y719 WeakPolarHBondContact O-CD2 3.35Å; S715-Y719 PolarHBondContact O-N 3.38Å; M716-Y719 PolarHBondContact O-N 2.87Å; Y719-K721 VanDerWaalsContact C-N 3.26Å; Y719-K721 PolarHBondContact O-N 3.06Å; Y719-Q722 PolarHBondContact O-N 3.14Å; Y719-Q722 VanDerWaalsContact O-N 3.16Å; Y719-E723 PolarHBondContact O-N 2.81Å |
| 720 | D | 85.3 | Confident | 80.9 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 174.3 | -61.8 | -31.4 | 0 | 0 | 0 | 111 | M716 E723 Q724 | M716-D720 PolarHBondContact O-N 3.41Å; D720-E723 PolarHBondContact O-N 3.33Å; D720-Q724 WeakPolarHBondContact O-CB 3.42Å; D720-Q724 VanDerWaalsContact O-CG 3.3Å; D720-Q724 WeakPolarHBondContact O-CG 3.17Å; D720-Q724 PolarHBondContact O-N 2.67Å |
| 721 | K | 85.8 | Confident | 79.2 | Confident | 136 Ų | 136 | 82.7 Ų | 82.7 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.2 | -36.4 | 177.1 | -170.1 | 176.2 | -177.9 | -178.4 | 0 | 112.5 | R717 F718 Y719 N725 | R717-K721 WeakPolarHBondContact O-CB 3.47Å; R717-K721 PolarHBondContact O-N 3.42Å; R717-K721 VanDerWaalsContact O-N 3.08Å; F718-K721 PolarHBondContact O-N 3.27Å; Y719-K721 VanDerWaalsContact C-N 3.26Å; Y719-K721 PolarHBondContact O-N 3.06Å; K721-N725 WeakPolarHBondContact O-CB 3.46Å; K721-N725 VanDerWaalsContact O-CG 3.24Å; K721-N725 PolarHBondContact O-N 3.31Å |
| 722 | Q | 79.7 | Confident | 77.1 | Confident | 86 Ų | 86 | 90.6 Ų | 90.6 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 170 | -83.8 | -163.8 | 36.7 | 0 | 0 | 111.1 | F718 Y719 Q724 N725 S726 | F718-Q722 PolarHBondContact O-N 3.45Å; Y719-Q722 PolarHBondContact O-N 3.14Å; Y719-Q722 VanDerWaalsContact O-N 3.16Å; Q722-Q724 VanDerWaalsContact C-N 3.34Å; Q722-Q724 PolarHBondContact O-N 3.49Å; Q722-N725 PolarHBondContact O-N 3.12Å; Q722-N725 VanDerWaalsContact O-N 3.12Å; Q722-S726 PolarHBondContact O-N 2.96Å; Q722-S726 PolarHBondContact O-OG 3.08Å |
| 723 | E | 77.1 | Confident | 75.1 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 178.9 | -81 | -157.3 | -158.9 | 0 | 0 | 112.6 | Y719 D720 N725 S726 K727 | Y719-E723 PolarHBondContact O-N 2.81Å; D720-E723 PolarHBondContact O-N 3.33Å; E723-N725 VanDerWaalsContact C-N 3.33Å; E723-S726 PolarHBondContact O-N 3.07Å; E723-K727 WeakPolarHBondContact O-CB 3.4Å; E723-K727 VanDerWaalsContact O-CD 3.32Å; E723-K727 WeakPolarHBondContact O-CD 3.26Å; E723-K727 WeakPolarHBondContact O-CG 3.45Å; E723-K727 PolarHBondContact O-N 2.9Å; E723-K727 IonicContact OE2-NZ 3.5Å; E723-K727 PolarHBondContact OE2-NZ 2.89Å |
| 724 | Q | 77.6 | Confident | 73 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | -73.1 | 178.8 | 27.3 | 0 | 0 | 112.3 | D720 Q722 K728 | D720-Q724 WeakPolarHBondContact O-CB 3.42Å; D720-Q724 VanDerWaalsContact O-CG 3.3Å; D720-Q724 WeakPolarHBondContact O-CG 3.17Å; D720-Q724 PolarHBondContact O-N 2.67Å; Q722-Q724 VanDerWaalsContact C-N 3.34Å; Q722-Q724 PolarHBondContact O-N 3.49Å; Q724-K728 WeakPolarHBondContact O-CB 3.37Å; Q724-K728 VanDerWaalsContact O-CG 3.3Å; Q724-K728 WeakPolarHBondContact O-CG 3.42Å; Q724-K728 PolarHBondContact O-N 2.92Å |
| 725 | N | 76.6 | Confident | 70.8 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 175.3 | -76.2 | -3.6 | 0 | 0 | 0 | 111.4 | K721 Q722 E723 K727 K728 E729 | K721-N725 WeakPolarHBondContact O-CB 3.46Å; K721-N725 VanDerWaalsContact O-CG 3.24Å; K721-N725 PolarHBondContact O-N 3.31Å; Q722-N725 PolarHBondContact O-N 3.12Å; Q722-N725 VanDerWaalsContact O-N 3.12Å; E723-N725 VanDerWaalsContact C-N 3.33Å; N725-K727 VanDerWaalsContact C-N 3.27Å; N725-K727 PolarHBondContact O-N 3.46Å; N725-K728 CarbonylContact O-C 3.55Å; N725-K728 PolarHBondContact O-N 3.26Å; N725-K728 VanDerWaalsContact O-N 3.14Å; N725-E729 WeakPolarHBondContact O-CG 3.28Å; N725-E729 PolarHBondContact O-N 2.75Å |
| 726 | S | 69.1 | Low | 68.2 | Low | 62 Ų | 62 | 112.9 Ų | 112.9 | 43% | 0.434 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | Q722 E723 K730 | Q722-S726 PolarHBondContact O-N 2.96Å; Q722-S726 PolarHBondContact O-OG 3.08Å; E723-S726 PolarHBondContact O-N 3.07Å; S726-K730 WeakPolarHBondContact O-CG 3.22Å; S726-K730 PolarHBondContact O-N 3.15Å |
| 727 | K | 69.6 | Low | 65.6 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.1 | -49.8 | 171.7 | -70.1 | 159.7 | -166.2 | 166.6 | 0 | 110.3 | E723 N725 E729 K730 E731 | E723-K727 WeakPolarHBondContact O-CB 3.4Å; E723-K727 VanDerWaalsContact O-CD 3.32Å; E723-K727 WeakPolarHBondContact O-CD 3.26Å; E723-K727 WeakPolarHBondContact O-CG 3.45Å; E723-K727 PolarHBondContact O-N 2.9Å; E723-K727 IonicContact OE2-NZ 3.5Å; E723-K727 PolarHBondContact OE2-NZ 2.89Å; N725-K727 VanDerWaalsContact C-N 3.27Å; N725-K727 PolarHBondContact O-N 3.46Å; K727-E729 PolarHBondContact O-N 3.25Å; K727-K730 PolarHBondContact O-N 3.09Å; K727-E731 WeakPolarHBondContact O-CG 3.42Å; K727-E731 PolarHBondContact O-N 3.41Å |
| 728 | K | 69.2 | Low | 62.9 | Low | 113 Ų | 113 | 107.7 Ų | 107.7 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -31.1 | 177.4 | -74.2 | 168.9 | -179.7 | 169 | 0 | 114.7 | Q724 N725 K732 | Q724-K728 WeakPolarHBondContact O-CB 3.37Å; Q724-K728 VanDerWaalsContact O-CG 3.3Å; Q724-K728 WeakPolarHBondContact O-CG 3.42Å; Q724-K728 PolarHBondContact O-N 2.92Å; N725-K728 CarbonylContact O-C 3.55Å; N725-K728 PolarHBondContact O-N 3.26Å; N725-K728 VanDerWaalsContact O-N 3.14Å; K728-K732 WeakPolarHBondContact O-CB 3.06Å; K728-K732 PolarHBondContact O-N 3.21Å |
| 729 | E | 54.8 | Low | 60.1 | Low | 131 Ų | 131 | 110.4 Ų | 110.4 | 61% | 0.612 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.9 | -37.2 | 174.6 | -75 | -169.6 | 144.5 | 0 | 0 | 112.1 | N725 K727 K732 R733 | N725-E729 WeakPolarHBondContact O-CG 3.28Å; N725-E729 PolarHBondContact O-N 2.75Å; K727-E729 PolarHBondContact O-N 3.25Å; E729-K732 PolarHBondContact O-N 3.21Å; E729-R733 WeakPolarHBondContact O-CG 3.22Å; E729-R733 PolarHBondContact O-N 3.31Å |
| 730 | K | 54.1 | Low | 57.6 | Low | 153 Ų | 153 | 112.1 Ų | 112.1 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.1 | -45.3 | 169.7 | -74.2 | -175.9 | 175 | -168.1 | 0 | 111 | S726 K727 R733 L734 | S726-K730 WeakPolarHBondContact O-CG 3.22Å; S726-K730 PolarHBondContact O-N 3.15Å; K727-K730 PolarHBondContact O-N 3.09Å; K730-R733 PolarHBondContact O-N 2.98Å; K730-L734 WeakPolarHBondContact O-CG 3.28Å; K730-L734 PolarHBondContact O-N 2.99Å; K730-L734 VanDerWaalsContact O-N 3.09Å |
| 731 | E | 53.5 | Low | 55 | Low | 115 Ų | 115 | 112.1 Ų | 112.1 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -60.2 | -44.6 | 174.2 | -70.3 | 171.6 | 151.7 | 0 | 0 | 112.3 | K727 R733 L734 S735 | K727-E731 WeakPolarHBondContact O-CG 3.42Å; K727-E731 PolarHBondContact O-N 3.41Å; E731-R733 PolarHBondContact O-N 3.47Å; E731-L734 CarbonylContact O-C 3.55Å; E731-L734 PolarHBondContact O-N 3.09Å; E731-L734 VanDerWaalsContact O-N 3.12Å; E731-S735 WeakPolarHBondContact O-CB 3.39Å; E731-S735 PolarHBondContact O-N 2.94Å; E731-S735 PolarHBondContact O-OG 3.16Å |
| 732 | K | 49.4 | Very low | 52.5 | Low | 169 Ų | 169 | 115.6 Ų | 115.6 | 74% | 0.735 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.6 | -39.7 | 176 | -89.8 | -172.8 | 167.9 | -173.5 | 0 | 113.1 | K728 E729 L734 S735 | K728-K732 WeakPolarHBondContact O-CB 3.06Å; K728-K732 PolarHBondContact O-N 3.21Å; E729-K732 PolarHBondContact O-N 3.21Å; K732-L734 PolarHBondContact O-N 3.24Å; K732-S735 PolarHBondContact O-N 3.41Å |
| 733 | R | 49.2 | Very low | 50.1 | Low | 224 Ų | 224 | 120 Ų | 120 | 85% | 0.845 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65 | -28.5 | 173.9 | -74.9 | -176.1 | 180 | -158.6 | 0.9 | 112.6 | E729 K730 E731 | E729-R733 WeakPolarHBondContact O-CG 3.22Å; E729-R733 PolarHBondContact O-N 3.31Å; K730-R733 PolarHBondContact O-N 2.98Å; E731-R733 PolarHBondContact O-N 3.47Å |
| 734 | L | 47.6 | Very low | 48.1 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -85.5 | -14.8 | 175.5 | -68.6 | 166 | 0 | 0 | 0 | 113.8 | K730 E731 K732 | K730-L734 WeakPolarHBondContact O-CG 3.28Å; K730-L734 PolarHBondContact O-N 2.99Å; K730-L734 VanDerWaalsContact O-N 3.09Å; E731-L734 CarbonylContact O-C 3.55Å; E731-L734 PolarHBondContact O-N 3.09Å; E731-L734 VanDerWaalsContact O-N 3.12Å; K732-L734 PolarHBondContact O-N 3.24Å |
| 735 | S | 44.1 | Very low | 45.6 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -95.3 | 3.3 | -174.6 | -57.2 | 0 | 0 | 0 | 0 | 114.6 | E731 K732 G737 | E731-S735 WeakPolarHBondContact O-CB 3.39Å; E731-S735 PolarHBondContact O-N 2.94Å; E731-S735 PolarHBondContact O-OG 3.16Å; K732-S735 PolarHBondContact O-N 3.41Å; S735-G737 VanDerWaalsContact C-N 3.3Å; S735-G737 PolarHBondContact O-N 3.12Å |
| 736 | S | 39.9 | Very low | 43.3 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -92.5 | 54.4 | 176.9 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 737 | G | 34 | Very low | 41.3 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -179.3 | 102.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S735 | S735-G737 VanDerWaalsContact C-N 3.3Å; S735-G737 PolarHBondContact O-N 3.12Å |
| 738 | G | 31.9 | Very low | 39.7 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | 78.7 | 153.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 739 | G | 30.6 | Very low | 37.8 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -148.7 | 171 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 740 | G | 30.8 | Very low | 36.8 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 122.7 | 145.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 741 | G | 30.6 | Very low | 36 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 97.2 | 81.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 742 | K | 33.6 | Very low | 35.8 | Very low | 210 Ų | 210 | 123.7 Ų | 123.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -81.5 | 121.9 | 158.5 | -85.4 | -179.8 | 176.7 | 171.6 | 0 | 109.5 | ||||
| 743 | L | 29.9 | Very low | 36.5 | Very low | 177 Ų | 177 | 118 Ų | 118 | 93% | 0.927 | 78% | 0.781 | S | S | * | * | trans | -130.9 | 136.7 | 154.3 | -80.4 | 172.5 | 0 | 0 | 0 | 109.4 | ||||
| 744 | K | 33.3 | Very low | 37.3 | Very low | 219 Ų | 219 | 112.5 Ų | 112.5 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | trans | -92.6 | 126 | 170.6 | -83.7 | -176.5 | 171.4 | -177 | 0 | 108.5 | ||||
| 745 | G | 25.6 | Very low | 38.8 | Very low | 78 Ų | 78 | 106.6 Ų | 106.6 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -156.5 | 141.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 746 | S | 27.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 109.1 Ų | 109.1 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -93.2 | 162 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 747 | S | 26.8 | Very low | 42.8 | Very low | 110 Ų | 110 | 105.2 Ų | 105.2 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | 107.6 | 150.2 | 157.5 | -52.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 748 | N | 36.8 | Very low | 45.3 | Very low | 173 Ų | 173 | 105.3 Ų | 105.3 | 93% | 0.925 | 69% | 0.688 | S | S | * | * | trans | -57.4 | 128.7 | -163.1 | -60.1 | -16.3 | 0 | 0 | 0 | 116 | ||||
| 749 | A | 28.7 | Very low | 48.2 | Very low | 104 Ų | 104 | 101.6 Ų | 101.6 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | trans | -148.5 | 150.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 750 | G | 34.2 | Very low | 50.9 | Low | 55 Ų | 55 | 97.6 Ų | 97.6 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | cis | 126.1 | 100.6 | 21.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | T752 | G750-T752 PolarHBondContact O-N 3.28Š| ||
| 751 | A | 37.9 | Very low | 53.6 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 59% | 0.587 | 57% | 0.566 | S | S | * | * | trans | -66.8 | 118.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 752 | T | 49.4 | Very low | 56.2 | Low | 137 Ų | 137 | 90.7 Ų | 90.7 | 84% | 0.84 | 53% | 0.532 | S | S | * | . | trans | -73.5 | 131.6 | -174.9 | 43.1 | 0 | 0 | 0 | 0 | 112.4 | G750 N754 | G750-T752 PolarHBondContact O-N 3.28Å; T752-N754 PolarHBondContact O-N 3.21Å | ||
| 753 | L | 63.1 | Low | 58.6 | Low | 49 Ų | 49 | 83.1 Ų | 83.1 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | trans | -69.5 | 114.4 | 172.4 | -84 | 169.5 | 0 | 0 | 0 | 110.7 | M755 M757 M850 Y853 | L753-M755 PolarHBondContact O-N 3.47Å; L753-M755 VanDerWaalsContact O-N 3.11Å; L753-M757 HydrophobicContact CD1-CE 4.12Å; L753-M757 HydrophobicContact CD1-SD 4.5Å; L753-M850 HydrophobicContact CD1-SD 4.15Å; L753-M850 HydrophobicContact CD2-SD 4.12Å; L753-Y853 HydrophobicContact CD1-CD1 3.67Å; L753-Y853 HydrophobicContact CD1-CD2 4.04Å; L753-Y853 HydrophobicContact CD1-CE1 3.62Å; L753-Y853 HydrophobicContact CD1-CE2 3.99Å; L753-Y853 HydrophobicContact CD1-CG 3.88Å; L753-Y853 HydrophobicContact CD2-CD1 4.2Å; L753-Y853 HydrophobicContact CD2-CD2 3.95Å; L753-Y853 HydrophobicContact CD2-CG 3.68Å; L753-Y853 HydrophobicContact CG-CD1 4.03Å; L753-Y853 HydrophobicContact CG-CD2 3.56Å; L753-Y853 HydrophobicContact CG-CE1 4.26Å; L753-Y853 HydrophobicContact CG-CE2 3.8Å; L753-Y853 HydrophobicContact CG-CG 3.68Å | ||
| 754 | N | 66.6 | Low | 61.2 | Low | 110 Ų | 110 | 74.8 Ų | 74.8 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | trans | -82 | 37.2 | 167.1 | -171.5 | 17.9 | 0 | 0 | 0 | 112.1 | T752 S800 | T752-N754 PolarHBondContact O-N 3.21Å; N754-S800 PolarHBondContact ND2-OG 3.43Å; N754-S800 PolarHBondContact O-OG 3.08Å; N754-S800 PolarHBondContact OD1-OG 3.27Å; N754-S800 VanDerWaalsContact OD1-OG 3.05Å | ||
| 755 | M | 79 | Confident | 63.6 | Low | 21 Ų | 21 | 67.6 Ų | 67.6 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 145 | -178.1 | -55.4 | -159.9 | -175.9 | 0 | 0 | 110.8 | L753 V797 E846 E849 | L753-M755 PolarHBondContact O-N 3.47Å; L753-M755 VanDerWaalsContact O-N 3.11Å; M755-V797 HydrophobicContact CB-CG1 3.66Å; M755-V797 HydrophobicContact CG-CG1 4.22Å; M755-V797 HydrophobicContact SD-CG1 3.54Å; M755-V797 VanDerWaalsContact SD-CG1 3.54Å; M755-E846 HydrophobicContact SD-CB 4.2Å; M755-E846 HydrophobicContact SD-CG 4.21Å; M755-E849 HydrophobicContact CE-CB 3.64Å; M755-E849 HydrophobicContact CE-CG 4.12Å; M755-E849 VanDerWaalsContact CE-OE2 3.31Å; M755-E849 WeakPolarHBondContact CE-OE2 3.42Å |
| 756 | K | 81.5 | Confident | 66.2 | Low | 145 Ų | 145 | 72.7 Ų | 72.7 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.3 | 172.3 | -61.8 | -164.8 | 177.7 | -167.4 | 0 | 109.2 | V797 R798 W805 | K756-V797 CarbonylContact O-C 3.48Å; K756-V797 WeakPolarHBondContact O-CA 3.32Å; K756-R798 PolarHBondContact N-O 3.5Å; K756-R798 PolarHBondContact O-N 3.05Å; K756-W805 HydrophobicContact CB-CH2 4.34Å; K756-W805 WeakPolarHBondContact O-CZ3 3.41Å |
| 757 | M | 86.9 | Confident | 68.6 | Low | 35 Ų | 35 | 71.6 Ų | 71.6 | 17% | 0.172 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.5 | 178.4 | 52.9 | 169.8 | 163.1 | 0 | 0 | 111.9 | L753 L795 L796 V797 M850 W869 L872 | L753-M757 HydrophobicContact CD1-CE 4.12Å; L753-M757 HydrophobicContact CD1-SD 4.5Å; M757-L795 HydrophobicContact CB-CD1 4.19Å; M757-L796 WeakPolarHBondContact CA-O 3.35Å; M757-V797 HydrophobicContact CB-CG2 4.32Å; M757-M850 HydrophobicContact SD-CE 4.2Å; M757-W869 PolarHBondContact O-NE1 3.25Å; M757-L872 HydrophobicContact CE-CD1 3.45Å; M757-L872 VanDerWaalsContact CE-CD1 3.45Å |
| 758 | K | 87.3 | Confident | 71 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 30% | 0.3 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.9 | 173.3 | -75.7 | -167.5 | 171.1 | -159.1 | 0 | 110.1 | E772 L796 W805 | K758-E772 WeakPolarHBondContact CD-OE1 3.49Å; K758-E772 VanDerWaalsContact NZ-CD 3.33Å; K758-E772 IonicContact NZ-OE1 2.72Å; K758-E772 PolarHBondContact NZ-OE1 2.97Å; K758-E772 IonicContact NZ-OE2 2.82Å; K758-E772 PolarHBondContact NZ-OE2 3.41Å; K758-L796 PolarHBondContact N-O 3.47Å; K758-L796 PolarHBondContact O-N 2.63Å; K758-W805 HydrophobicContact CB-CH2 4.15Å; K758-W805 HydrophobicContact CB-CZ3 4.11Å; K758-W805 HydrophobicContact CD-CH2 3.87Å; K758-W805 HydrophobicContact CD-CZ2 4.07Å; K758-W805 HydrophobicContact CG-CH2 3.73Å; K758-W805 HydrophobicContact CG-CZ2 4.43Å; K758-W805 HydrophobicContact CG-CZ3 4.18Å |
| 759 | F | 90.9 | Very high | 73.1 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.3 | 165.6 | -81.3 | -93.1 | 0 | 0 | 0 | 110.7 | W788 R793 V794 L795 V865 Y866 W869 | F759-W788 HydrophobicContact CB-CZ2 4.26Å; F759-R793 HydrophobicContact CD1-CB 4.19Å; F759-V794 WeakPolarHBondContact CA-O 3.46Å; F759-V794 WeakPolarHBondContact CD1-O 3.31Å; F759-L795 HydrophobicContact CD1-CB 4.44Å; F759-L795 HydrophobicContact CD2-CD1 4.27Å; F759-L795 HydrophobicContact CE1-CB 3.96Å; F759-L795 HydrophobicContact CE2-CD1 3.83Å; F759-L795 HydrophobicContact CZ-CB 4.14Å; F759-L795 HydrophobicContact CZ-CD1 3.97Å; F759-L795 HydrophobicContact CZ-CG 4.5Å; F759-V865 HydrophobicContact CE2-CG1 4.24Å; F759-V865 HydrophobicContact CZ-CB 4.35Å; F759-V865 HydrophobicContact CZ-CG1 4.13Å; F759-Y866 HydrophobicContact CB-CD2 4.19Å; F759-Y866 HydrophobicContact CB-CE2 4.23Å; F759-Y866 AromaticContact CD1-CD2 3.83Å; F759-Y866 HydrophobicContact CD1-CD2 3.83Å; F759-Y866 AromaticContact CD2-CD2 3.78Å; F759-Y866 HydrophobicContact CD2-CD2 3.78Å; F759-Y866 HydrophobicContact CE1-CD2 4.07Å; F759-Y866 HydrophobicContact CE2-CD2 4.04Å; F759-Y866 AromaticContact CG-CD2 3.66Å; F759-Y866 HydrophobicContact CG-CD2 3.66Å; F759-Y866 HydrophobicContact CG-CE2 4.19Å; F759-Y866 HydrophobicContact CZ-CD2 4.17Å; F759-W869 HydrophobicContact CB-CE3 4.33Å; F759-W869 HydrophobicContact CB-CH2 4.43Å; F759-W869 HydrophobicContact CB-CZ3 4.24Å; F759-W869 HydrophobicContact CD2-CB 4Å; F759-W869 AromaticContact CD2-CD2 3.7Å; F759-W869 HydrophobicContact CD2-CD2 3.7Å; F759-W869 AromaticContact CD2-CE3 3.8Å; F759-W869 HydrophobicContact CD2-CE3 3.8Å; F759-W869 AromaticContact CD2-CG 3.77Å; F759-W869 HydrophobicContact CD2-CG 3.77Å; F759-W869 HydrophobicContact CE2-CB 3.85Å; F759-W869 HydrophobicContact CE2-CD2 4.46Å; F759-W869 HydrophobicContact CE2-CG 4.13Å; F759-W869 HydrophobicContact CG-CE3 4.44Å |
| 760 | A | 88.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 162.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S762 I770 S771 V794 L796 | A760-S762 PolarHBondContact O-N 2.7Å; A760-I770 HydrophobicContact CB-CG2 4.18Å; A760-S771 CarbonylContact C-O 3.59Å; A760-S771 VanDerWaalsContact CA-O 3.25Å; A760-S771 WeakPolarHBondContact CA-O 3.47Å; A760-V794 HydrophobicContact CB-CG2 4.23Å; A760-V794 PolarHBondContact N-O 3.05Å; A760-V794 WeakPolarHBondContact O-CG2 3.37Å; A760-V794 PolarHBondContact O-N 3.1Å; A760-L796 HydrophobicContact CB-CD1 3.66Å; A760-L796 HydrophobicContact CB-CG 4.09Å |
| 761 | C | 87.6 | Confident | 78 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.9 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 111 | Q763 C764 W765 S771 C780 W788 R792 | C761-Q763 VanDerWaalsContact C-N 3.27Å; C761-Q763 PolarHBondContact O-N 3.02Å; C761-C764 HydrophobicContact CB-CB 4.09Å; C761-C764 PolarHBondContact O-N 3.49Å; C761-W765 WeakPolarHBondContact O-CB 3.32Å; C761-W765 PolarHBondContact O-N 2.77Å; C761-S771 PolarHBondContact N-O 3.32Å; C761-C780 HydrophobicContact CB-CB 3.82Å; C761-W788 HydrophobicContact CB-CZ3 3.94Å; C761-R792 CarbonylContact C-O 3.57Å; C761-R792 WeakPolarHBondContact CA-O 3.47Å |
| 762 | S | 84.1 | Confident | 80.2 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -32.1 | -180 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | A760 R766 R792 | A760-S762 PolarHBondContact O-N 2.7Å; S762-R766 WeakPolarHBondContact O-CG 3.42Å; S762-R766 PolarHBondContact O-N 2.77Å; S762-R792 PolarHBondContact N-O 3.07Å; S762-R792 WeakPolarHBondContact OG-CA 3.41Å; S762-R792 PolarHBondContact OG-O 3.17Å |
| 763 | Q | 84 | Confident | 81.8 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -62 | 175.6 | -175.2 | 53 | 47.9 | 0 | 0 | 110 | C761 W765 R766 D767 | C761-Q763 VanDerWaalsContact C-N 3.27Å; C761-Q763 PolarHBondContact O-N 3.02Å; Q763-W765 PolarHBondContact O-N 3.2Å; Q763-R766 WeakPolarHBondContact O-CA 3.2Å; Q763-R766 WeakPolarHBondContact O-CB 3.48Å; Q763-R766 PolarHBondContact O-N 2.91Å; Q763-D767 VanDerWaalsContact C-OD2 3.31Å; Q763-D767 WeakPolarHBondContact CG-OD2 3.36Å; Q763-D767 VanDerWaalsContact NE2-CG 3.32Å; Q763-D767 PolarHBondContact NE2-OD1 3.22Å; Q763-D767 PolarHBondContact NE2-OD2 3.26Å; Q763-D767 VanDerWaalsContact O-CG 3.24Å; Q763-D767 PolarHBondContact O-N 3.18Å; Q763-D767 VanDerWaalsContact O-N 3.11Å |
| 764 | C | 85 | Confident | 82.8 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.2 | -37.6 | 179.4 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | C761 D767 G768 L769 H786 | C761-C764 HydrophobicContact CB-CB 4.09Å; C761-C764 PolarHBondContact O-N 3.49Å; C764-D767 CarbonylContact O-C 3.05Å; C764-D767 WeakPolarHBondContact O-CA 3.37Å; C764-D767 WeakPolarHBondContact O-CB 3.39Å; C764-D767 PolarHBondContact O-N 3.46Å; C764-D767 VanDerWaalsContact O-N 3.1Å; C764-G768 PolarHBondContact O-N 2.93Å; C764-G768 VanDerWaalsContact O-N 3.08Å; C764-L769 CarbonylContact C-O 3.42Å; C764-L769 HydrophobicContact CB-CB 4.24Å; C764-L769 WeakPolarHBondContact CB-O 3.35Å; C764-L769 WeakPolarHBondContact O-CA 3.45Å; C764-L769 PolarHBondContact O-N 3.12Å; C764-L769 VanDerWaalsContact O-O 3.06Å; C764-H786 PolarHBondContact SG-ND1 3.14Å |
| 765 | W | 83.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -33.4 | 177.3 | 178.8 | -105.4 | 0 | 0 | 0 | 114.1 | C761 Q763 G768 L769 I770 V794 L796 W805 N807 | C761-W765 WeakPolarHBondContact O-CB 3.32Å; C761-W765 PolarHBondContact O-N 2.77Å; Q763-W765 PolarHBondContact O-N 3.2Å; W765-G768 PolarHBondContact O-N 3.34Å; W765-L769 PolarHBondContact N-O 3.45Å; W765-I770 HydrophobicContact CE3-CG1 3.81Å; W765-I770 HydrophobicContact CZ3-CD1 3.95Å; W765-I770 HydrophobicContact CZ3-CG1 3.65Å; W765-V794 HydrophobicContact CB-CG2 4.07Å; W765-V794 HydrophobicContact CG-CG2 4.25Å; W765-L796 HydrophobicContact CD2-CD1 4.17Å; W765-L796 HydrophobicContact CD2-CD2 3.8Å; W765-L796 HydrophobicContact CE3-CD1 3.68Å; W765-L796 HydrophobicContact CE3-CD2 4.11Å; W765-L796 HydrophobicContact CG-CD2 4.29Å; W765-L796 HydrophobicContact CH2-CD1 4.44Å; W765-L796 HydrophobicContact CH2-CD2 4.24Å; W765-L796 HydrophobicContact CZ2-CD2 3.96Å; W765-L796 HydrophobicContact CZ3-CD1 3.84Å; W765-L796 HydrophobicContact CZ3-CD2 4.32Å; W765-W805 HydrophobicContact CH2-CB 4.17Å; W765-W805 HydrophobicContact CZ3-CB 4.43Å; W765-N807 HydrophobicContact CZ2-CB 4.45Å |
| 766 | R | 80.1 | Confident | 83.1 | Confident | 185 Ų | 185 | 62.9 Ų | 62.9 | 70% | 0.698 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.8 | -35.5 | 168.1 | -72.3 | -171.9 | -69.2 | -164.4 | 1.2 | 111 | S762 Q763 G768 | S762-R766 WeakPolarHBondContact O-CG 3.42Å; S762-R766 PolarHBondContact O-N 2.77Å; Q763-R766 WeakPolarHBondContact O-CA 3.2Å; Q763-R766 WeakPolarHBondContact O-CB 3.48Å; Q763-R766 PolarHBondContact O-N 2.91Å; R766-G768 PolarHBondContact O-N 3.11Å |
| 767 | D | 77.1 | Confident | 83 | Confident | 92 Ų | 92 | 59.4 Ų | 59.4 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 10.8 | 177.4 | -42.5 | -37.4 | 0 | 0 | 0 | 112.5 | Q763 C764 L769 | Q763-D767 VanDerWaalsContact C-OD2 3.31Å; Q763-D767 WeakPolarHBondContact CG-OD2 3.36Å; Q763-D767 VanDerWaalsContact NE2-CG 3.32Å; Q763-D767 PolarHBondContact NE2-OD1 3.22Å; Q763-D767 PolarHBondContact NE2-OD2 3.26Å; Q763-D767 VanDerWaalsContact O-CG 3.24Å; Q763-D767 PolarHBondContact O-N 3.18Å; Q763-D767 VanDerWaalsContact O-N 3.11Å; C764-D767 CarbonylContact O-C 3.05Å; C764-D767 WeakPolarHBondContact O-CA 3.37Å; C764-D767 WeakPolarHBondContact O-CB 3.39Å; C764-D767 PolarHBondContact O-N 3.46Å; C764-D767 VanDerWaalsContact O-N 3.1Å; D767-L769 VanDerWaalsContact C-N 3.32Å; D767-L769 PolarHBondContact O-N 3.13Å |
| 768 | G | 78.3 | Confident | 82.8 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | C764 W765 R766 | C764-G768 PolarHBondContact O-N 2.93Å; C764-G768 VanDerWaalsContact O-N 3.08Å; W765-G768 PolarHBondContact O-N 3.34Å; R766-G768 PolarHBondContact O-N 3.11Å |
| 769 | L | 79.6 | Confident | 82.6 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 60% | 0.597 | 34% | 0.339 | S | S | * | . | trans | -104.5 | 123.9 | -172.7 | -62.3 | 177 | 0 | 0 | 0 | 112.9 | C764 W765 D767 S771 | C764-L769 CarbonylContact C-O 3.42Å; C764-L769 HydrophobicContact CB-CB 4.24Å; C764-L769 WeakPolarHBondContact CB-O 3.35Å; C764-L769 WeakPolarHBondContact O-CA 3.45Å; C764-L769 PolarHBondContact O-N 3.12Å; C764-L769 VanDerWaalsContact O-O 3.06Å; W765-L769 PolarHBondContact N-O 3.45Å; D767-L769 VanDerWaalsContact C-N 3.32Å; D767-L769 PolarHBondContact O-N 3.13Å; L769-S771 PolarHBondContact O-N 3.37Å | ||
| 770 | I | 83.1 | Confident | 82.4 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 36% | 0.359 | 34% | 0.338 | S | S | . | . | trans | -81 | 99.3 | 172.8 | -57.6 | 177.4 | 0 | 0 | 0 | 109.2 | A760 W765 L796 W805 | A760-I770 HydrophobicContact CB-CG2 4.18Å; W765-I770 HydrophobicContact CE3-CG1 3.81Å; W765-I770 HydrophobicContact CZ3-CD1 3.95Å; W765-I770 HydrophobicContact CZ3-CG1 3.65Å; I770-L796 HydrophobicContact CD1-CD1 4.09Å; I770-L796 HydrophobicContact CG1-CD1 3.91Å; I770-L796 HydrophobicContact CG2-CD1 4Å; I770-W805 HydrophobicContact CD1-CB 4.01Å; I770-W805 HydrophobicContact CD1-CD2 4.37Å; I770-W805 HydrophobicContact CD1-CG 3.63Å | ||
| 771 | S | 83.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 4% | 0.035 | 36% | 0.364 | C | S | . | . | trans | -108.8 | 118.2 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | A760 C761 L769 C780 T781 A782 | A760-S771 CarbonylContact C-O 3.59Å; A760-S771 VanDerWaalsContact CA-O 3.25Å; A760-S771 WeakPolarHBondContact CA-O 3.47Å; C761-S771 PolarHBondContact N-O 3.32Å; L769-S771 PolarHBondContact O-N 3.37Å; S771-C780 WeakPolarHBondContact OG-CB 3.06Å; S771-T781 PolarHBondContact OG-N 3.09Å; S771-T781 VanDerWaalsContact OG-N 3.09Å; S771-T781 PolarHBondContact OG-OG1 2.76Å; S771-A782 PolarHBondContact OG-N 2.92Å | ||
| 772 | E | 84.1 | Confident | 81.7 | Confident | 68 Ų | 68 | 72 Ų | 72 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 169.7 | 174 | -82.8 | 170.5 | -122.3 | 0 | 0 | 112 | K758 C780 T781 | K758-E772 WeakPolarHBondContact CD-OE1 3.49Å; K758-E772 VanDerWaalsContact NZ-CD 3.33Å; K758-E772 IonicContact NZ-OE1 2.72Å; K758-E772 PolarHBondContact NZ-OE1 2.97Å; K758-E772 IonicContact NZ-OE2 2.82Å; K758-E772 PolarHBondContact NZ-OE2 3.41Å; E772-C780 WeakPolarHBondContact O-CA 3.42Å; E772-T781 PolarHBondContact N-OG1 3.19Å; E772-T781 WeakPolarHBondContact O-CG2 3.42Å; E772-T781 PolarHBondContact O-N 3.01Å; E772-T781 PolarHBondContact O-OG1 2.83Å |
| 773 | P | 84.4 | Confident | 81.3 | Confident | 22 Ų | 22 | 81.2 Ų | 81.2 | 14% | 0.143 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 148.5 | 173.8 | 26.9 | -31.1 | 0 | 0 | 0 | 112.6 | L777 W788 W869 | P773-L777 HydrophobicContact CB-CD2 3.72Å; P773-L777 HydrophobicContact CG-CD2 3.85Å; P773-W788 HydrophobicContact CB-CD2 3.87Å; P773-W788 HydrophobicContact CB-CE3 4.19Å; P773-W788 HydrophobicContact CB-CG 4.4Å; P773-W788 HydrophobicContact CB-CH2 4.08Å; P773-W788 HydrophobicContact CB-CZ2 3.75Å; P773-W788 HydrophobicContact CB-CZ3 4.28Å; P773-W788 VanDerWaalsContact CD-CH2 3.49Å; P773-W788 HydrophobicContact CG-CH2 4.19Å; P773-W788 HydrophobicContact CG-CZ2 3.79Å; P773-W869 HydrophobicContact CG-CH2 4.14Å |
| 774 | D | 83.3 | Confident | 80.8 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.251 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 158.2 | 164.2 | -166.9 | -9.3 | 0 | 0 | 0 | 110.6 | G776 L777 Y779 R785 | D774-G776 PolarHBondContact O-N 2.88Å; D774-L777 PolarHBondContact O-N 3.35Å; D774-Y779 VanDerWaalsContact CB-O 3.26Å; D774-Y779 WeakPolarHBondContact CB-O 3.48Å; D774-Y779 PolarHBondContact N-O 3.08Å; D774-R785 IonicContact OD2-CZ 2.71Å; D774-R785 IonicContact OD2-NH2 2.78Å; D774-R785 PolarHBondContact OD2-NH2 3.3Å |
| 775 | K | 77.1 | Confident | 80.6 | Confident | 208 Ų | 208 | 88.6 Ų | 88.6 | 90% | 0.904 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.5 | -177.6 | -65.8 | 178 | -178.7 | 175 | 0 | 113.1 | ||
| 776 | G | 75.1 | Confident | 80.5 | Confident | 54 Ų | 54 | 87.2 Ų | 87.2 | 56% | 0.557 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D774 K778 | D774-G776 PolarHBondContact O-N 2.88Å; G776-K778 PolarHBondContact O-N 3.45Å |
| 777 | L | 79.8 | Confident | 80.7 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 54.4 | 14.7 | -177.5 | -54.4 | -177.6 | 0 | 0 | 0 | 116.3 | P773 D774 W788 L870 | P773-L777 HydrophobicContact CB-CD2 3.72Å; P773-L777 HydrophobicContact CG-CD2 3.85Å; D774-L777 PolarHBondContact O-N 3.35Å; L777-W788 WeakPolarHBondContact O-CB 3.37Å; L777-L870 HydrophobicContact CD1-CD1 4.19Å; L777-L870 HydrophobicContact CD1-CD2 4.13Å; L777-L870 HydrophobicContact CD2-CD2 4.47Å |
| 778 | K | 80.9 | Confident | 81 | Confident | 156 Ų | 156 | 76.3 Ų | 76.3 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -90 | -31.3 | 179.9 | -69.7 | -179.6 | -177.8 | -177 | 0 | 113.9 | G776 W788 | G776-K778 PolarHBondContact O-N 3.45Å; K778-W788 WeakPolarHBondContact O-CB 3.5Å; K778-W788 PolarHBondContact O-N 3.04Å |
| 779 | Y | 84.1 | Confident | 81.2 | Confident | 104 Ų | 104 | 76 Ų | 76 | 41% | 0.408 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -137.3 | 162.1 | -174.5 | -55.6 | -69.6 | 0 | 0 | 0 | 110.7 | D774 R785 H786 | D774-Y779 VanDerWaalsContact CB-O 3.26Å; D774-Y779 WeakPolarHBondContact CB-O 3.48Å; D774-Y779 PolarHBondContact N-O 3.08Å; Y779-R785 WeakPolarHBondContact CD1-O 3.41Å; Y779-H786 CarbonylContact C-O 3.6Å; Y779-H786 VanDerWaalsContact CA-O 3.28Å; Y779-H786 WeakPolarHBondContact CA-O 3.29Å |
| 780 | C | 86.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -81.9 | 160.4 | 167.7 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | C761 S771 E772 A782 H786 W788 | C761-C780 HydrophobicContact CB-CB 3.82Å; S771-C780 WeakPolarHBondContact OG-CB 3.06Å; E772-C780 WeakPolarHBondContact O-CA 3.42Å; C780-A782 VanDerWaalsContact C-N 3.32Å; C780-A782 PolarHBondContact O-N 3Å; C780-H786 PolarHBondContact N-O 2.92Å; C780-H786 PolarHBondContact SG-N 3.24Å; C780-W788 HydrophobicContact CB-CE3 3.85Å; C780-W788 HydrophobicContact CB-CZ3 3.89Å |
| 781 | T | 83.3 | Confident | 81.1 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -73.4 | -10 | 178.5 | 54.5 | 0 | 0 | 0 | 0 | 116 | S771 E772 | S771-T781 PolarHBondContact OG-N 3.09Å; S771-T781 VanDerWaalsContact OG-N 3.09Å; S771-T781 PolarHBondContact OG-OG1 2.76Å; E772-T781 PolarHBondContact N-OG1 3.19Å; E772-T781 WeakPolarHBondContact O-CG2 3.42Å; E772-T781 PolarHBondContact O-N 3.01Å; E772-T781 PolarHBondContact O-OG1 2.83Å |
| 782 | A | 78.5 | Confident | 81 | Confident | 23 Ų | 23 | 83.5 Ų | 83.5 | 19% | 0.19 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -65.8 | 155.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S771 C780 A784 R785 | S771-A782 PolarHBondContact OG-N 2.92Å; C780-A782 VanDerWaalsContact C-N 3.32Å; C780-A782 PolarHBondContact O-N 3Å; A782-A784 PolarHBondContact O-N 3.32Å; A782-A784 VanDerWaalsContact O-N 3.08Å; A782-R785 PolarHBondContact O-N 3.08Å |
| 783 | K | 76.3 | Confident | 81.2 | Confident | 216 Ų | 216 | 83 Ų | 83 | 94% | 0.939 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -38.4 | -179.7 | -69.2 | -170.4 | 175.3 | -171 | 0 | 113.3 | R785 | K783-R785 VanDerWaalsContact C-N 3.3Å; K783-R785 PolarHBondContact O-N 3.29Å |
| 784 | A | 72.4 | Confident | 81.4 | Confident | 71 Ų | 71 | 83 Ų | 83 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A782 H786 | A782-A784 PolarHBondContact O-N 3.32Å; A782-A784 VanDerWaalsContact O-N 3.08Å; A784-H786 VanDerWaalsContact C-N 3.31Å; A784-H786 PolarHBondContact O-N 2.77Å |
| 785 | R | 80.5 | Confident | 81.8 | Confident | 137 Ų | 137 | 80.8 Ų | 80.8 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | trans | 40.1 | 48.1 | 175.1 | -59.1 | -168 | 78.4 | -169.3 | 7.1 | 115.5 | D774 Y779 A782 K783 A787 | D774-R785 IonicContact OD2-CZ 2.71Å; D774-R785 IonicContact OD2-NH2 2.78Å; D774-R785 PolarHBondContact OD2-NH2 3.3Å; Y779-R785 WeakPolarHBondContact CD1-O 3.41Å; A782-R785 PolarHBondContact O-N 3.08Å; K783-R785 VanDerWaalsContact C-N 3.3Å; K783-R785 PolarHBondContact O-N 3.29Å; R785-A787 PolarHBondContact O-N 3.35Å | ||
| 786 | H | 82.6 | Confident | 82.4 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 18% | 0.181 | 36% | 0.357 | C | S | . | . | trans | -52.6 | 137.5 | 178.5 | -53.4 | 128.6 | 0 | 0 | 0 | 112.6 | C764 Y779 C780 A784 | C764-H786 PolarHBondContact SG-ND1 3.14Å; Y779-H786 CarbonylContact C-O 3.6Å; Y779-H786 VanDerWaalsContact CA-O 3.28Å; Y779-H786 WeakPolarHBondContact CA-O 3.29Å; C780-H786 PolarHBondContact N-O 2.92Å; C780-H786 PolarHBondContact SG-N 3.24Å; A784-H786 VanDerWaalsContact C-N 3.31Å; A784-H786 PolarHBondContact O-N 2.77Å | ||
| 787 | A | 83.5 | Confident | 83 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 136.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R785 T789 R792 | R785-A787 PolarHBondContact O-N 3.35Å; A787-T789 VanDerWaalsContact C-N 3.35Å; A787-T789 HydrophobicContact CB-CG2 4.28Å; A787-T789 PolarHBondContact O-N 3.03Å; A787-R792 WeakPolarHBondContact O-CD 3.31Å |
| 788 | W | 84.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | trans | -93.1 | 53.7 | -170.6 | -165.1 | -101.5 | 0 | 0 | 0 | 112.9 | F759 C761 P773 L777 K778 C780 R793 Y866 | F759-W788 HydrophobicContact CB-CZ2 4.26Å; C761-W788 HydrophobicContact CB-CZ3 3.94Å; P773-W788 HydrophobicContact CB-CD2 3.87Å; P773-W788 HydrophobicContact CB-CE3 4.19Å; P773-W788 HydrophobicContact CB-CG 4.4Å; P773-W788 HydrophobicContact CB-CH2 4.08Å; P773-W788 HydrophobicContact CB-CZ2 3.75Å; P773-W788 HydrophobicContact CB-CZ3 4.28Å; P773-W788 VanDerWaalsContact CD-CH2 3.49Å; P773-W788 HydrophobicContact CG-CH2 4.19Å; P773-W788 HydrophobicContact CG-CZ2 3.79Å; L777-W788 WeakPolarHBondContact O-CB 3.37Å; K778-W788 WeakPolarHBondContact O-CB 3.5Å; K778-W788 PolarHBondContact O-N 3.04Å; C780-W788 HydrophobicContact CB-CE3 3.85Å; C780-W788 HydrophobicContact CB-CZ3 3.89Å; W788-R793 HydrophobicContact CD2-CG 4.33Å; W788-R793 HydrophobicContact CZ2-CG 4.1Å; W788-R793 PolarHBondContact O-NE 3.17Å; W788-R793 PolarHBondContact O-NH2 3.02Å; W788-Y866 AromaticContact NE1-CE2 3.86Å; W788-Y866 AromaticContact NE1-CZ 3.69Å; W788-Y866 PolarHBondContact NE1-OH 3.16Å | ||
| 789 | T | 83.3 | Confident | 83.3 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | trans | -76.2 | 171 | -178.5 | 69.2 | 0 | 0 | 0 | 0 | 112.8 | A787 E791 R792 R793 | A787-T789 VanDerWaalsContact C-N 3.35Å; A787-T789 HydrophobicContact CB-CG2 4.28Å; A787-T789 PolarHBondContact O-N 3.03Å; T789-E791 VanDerWaalsContact C-N 3.34Å; T789-E791 WeakPolarHBondContact CB-OE2 3.49Å; T789-E791 PolarHBondContact O-N 3.37Å; T789-E791 PolarHBondContact OG1-OE2 3.43Å; T789-R792 PolarHBondContact O-N 3.09Å; T789-R792 WeakPolarHBondContact OG1-CD 3.33Å; T789-R792 WeakPolarHBondContact OG1-CG 3.5Å; T789-R793 WeakPolarHBondContact O-CG 3.36Å; T789-R793 PolarHBondContact O-NE 2.81Å | ||
| 790 | K | 81.5 | Confident | 82.7 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 39% | 0.391 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -62.7 | -39.5 | -177.2 | -176.1 | 170.7 | 178.3 | 165.8 | 0 | 112.2 | R792 D861 E863 | K790-R792 VanDerWaalsContact C-N 3.28Å; K790-R792 PolarHBondContact O-N 3.18Å; K790-D861 IonicContact NZ-OD1 3.19Å; K790-D861 IonicContact NZ-OD2 2.7Å; K790-D861 PolarHBondContact NZ-OD2 2.96Å; K790-E863 WeakPolarHBondContact CE-OE2 3.43Å; K790-E863 IonicContact NZ-OE2 2.73Å; K790-E863 PolarHBondContact NZ-OE2 3.18Å |
| 791 | E | 78.3 | Confident | 81.9 | Confident | 148 Ų | 148 | 67.5 Ų | 67.5 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -21.4 | 179.3 | -36.4 | 70.1 | -151.9 | 0 | 0 | 112.3 | T789 | T789-E791 VanDerWaalsContact C-N 3.34Å; T789-E791 WeakPolarHBondContact CB-OE2 3.49Å; T789-E791 PolarHBondContact O-N 3.37Å; T789-E791 PolarHBondContact OG1-OE2 3.43Å |
| 792 | R | 82.2 | Confident | 81 | Confident | 109 Ų | 109 | 71 Ų | 71 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.9 | -176.9 | -69.4 | 178.4 | -178.8 | -121.4 | 4.4 | 114 | C761 S762 A787 T789 K790 | C761-R792 CarbonylContact C-O 3.57Å; C761-R792 WeakPolarHBondContact CA-O 3.47Å; S762-R792 PolarHBondContact N-O 3.07Å; S762-R792 WeakPolarHBondContact OG-CA 3.41Å; S762-R792 PolarHBondContact OG-O 3.17Å; A787-R792 WeakPolarHBondContact O-CD 3.31Å; T789-R792 PolarHBondContact O-N 3.09Å; T789-R792 WeakPolarHBondContact OG1-CD 3.33Å; T789-R792 WeakPolarHBondContact OG1-CG 3.5Å; K790-R792 VanDerWaalsContact C-N 3.28Å; K790-R792 PolarHBondContact O-N 3.18Å |
| 793 | R | 87.4 | Confident | 80.7 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 22% | 0.223 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.2 | 177.5 | -65.9 | 164.6 | -160.7 | 165.4 | 8.6 | 110.5 | F759 W788 T789 E863 | F759-R793 HydrophobicContact CD1-CB 4.19Å; W788-R793 HydrophobicContact CD2-CG 4.33Å; W788-R793 HydrophobicContact CZ2-CG 4.1Å; W788-R793 PolarHBondContact O-NE 3.17Å; W788-R793 PolarHBondContact O-NH2 3.02Å; T789-R793 WeakPolarHBondContact O-CG 3.36Å; T789-R793 PolarHBondContact O-NE 2.81Å; R793-E863 IonicContact NH1-OE1 3.87Å |
| 794 | V | 89.2 | Confident | 81 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.6 | 167.9 | -73.7 | 0 | 0 | 0 | 0 | 111.1 | F759 A760 W765 L796 | F759-V794 WeakPolarHBondContact CA-O 3.46Å; F759-V794 WeakPolarHBondContact CD1-O 3.31Å; A760-V794 HydrophobicContact CB-CG2 4.23Å; A760-V794 PolarHBondContact N-O 3.05Å; A760-V794 WeakPolarHBondContact O-CG2 3.37Å; A760-V794 PolarHBondContact O-N 3.1Å; W765-V794 HydrophobicContact CB-CG2 4.07Å; W765-V794 HydrophobicContact CG-CG2 4.25Å; V794-L796 HydrophobicContact CG2-CD2 4.28Å |
| 795 | L | 90.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116.7 | 175.4 | 173.4 | 61 | 0 | 0 | 0 | 109.2 | M757 F759 V797 N807 V808 M850 M862 V865 | M757-L795 HydrophobicContact CB-CD1 4.19Å; F759-L795 HydrophobicContact CD1-CB 4.44Å; F759-L795 HydrophobicContact CD2-CD1 4.27Å; F759-L795 HydrophobicContact CE1-CB 3.96Å; F759-L795 HydrophobicContact CE2-CD1 3.83Å; F759-L795 HydrophobicContact CZ-CB 4.14Å; F759-L795 HydrophobicContact CZ-CD1 3.97Å; F759-L795 HydrophobicContact CZ-CG 4.5Å; L795-V797 HydrophobicContact CD1-CG2 4.22Å; L795-V797 HydrophobicContact CD2-CG2 4.45Å; L795-V797 HydrophobicContact CG-CG2 4.06Å; L795-N807 WeakPolarHBondContact O-CA 3.37Å; L795-N807 PolarHBondContact O-OD1 2.84Å; L795-V808 HydrophobicContact CB-CB 4.5Å; L795-V808 HydrophobicContact CD2-CB 4.01Å; L795-V808 HydrophobicContact CD2-CG1 4.02Å; L795-V808 HydrophobicContact CG-CB 4.15Å; L795-V808 PolarHBondContact O-N 2.97Å; L795-M850 HydrophobicContact CD2-CE 3.94Å; L795-M850 HydrophobicContact CD2-CG 4.09Å; L795-M862 HydrophobicContact CB-CE 3.53Å; L795-M862 HydrophobicContact CD2-CE 3.85Å; L795-M862 HydrophobicContact CG-CE 4.36Å; L795-V865 HydrophobicContact CD2-CG1 4.08Å |
| 796 | L | 89.3 | Confident | 82 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.2 | 173.3 | -55.4 | -174.6 | 0 | 0 | 0 | 109.7 | M757 K758 A760 W765 I770 V794 W805 V806 N807 | M757-L796 WeakPolarHBondContact CA-O 3.35Å; K758-L796 PolarHBondContact N-O 3.47Å; K758-L796 PolarHBondContact O-N 2.63Å; A760-L796 HydrophobicContact CB-CD1 3.66Å; A760-L796 HydrophobicContact CB-CG 4.09Å; W765-L796 HydrophobicContact CD2-CD1 4.17Å; W765-L796 HydrophobicContact CD2-CD2 3.8Å; W765-L796 HydrophobicContact CE3-CD1 3.68Å; W765-L796 HydrophobicContact CE3-CD2 4.11Å; W765-L796 HydrophobicContact CG-CD2 4.29Å; W765-L796 HydrophobicContact CH2-CD1 4.44Å; W765-L796 HydrophobicContact CH2-CD2 4.24Å; W765-L796 HydrophobicContact CZ2-CD2 3.96Å; W765-L796 HydrophobicContact CZ3-CD1 3.84Å; W765-L796 HydrophobicContact CZ3-CD2 4.32Å; I770-L796 HydrophobicContact CD1-CD1 4.09Å; I770-L796 HydrophobicContact CG1-CD1 3.91Å; I770-L796 HydrophobicContact CG2-CD1 4Å; V794-L796 HydrophobicContact CG2-CD2 4.28Å; L796-W805 HydrophobicContact CB-CD2 4.44Å; L796-W805 HydrophobicContact CB-CE3 3.75Å; L796-W805 HydrophobicContact CB-CZ3 4.43Å; L796-V806 WeakPolarHBondContact CA-O 3.43Å; L796-N807 HydrophobicContact CD2-CB 3.94Å |
| 797 | V | 88.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144.9 | 177.6 | -179 | 0 | 0 | 0 | 0 | 109.8 | M755 K756 M757 L795 V806 V808 M850 | M755-V797 HydrophobicContact CB-CG1 3.66Å; M755-V797 HydrophobicContact CG-CG1 4.22Å; M755-V797 HydrophobicContact SD-CG1 3.54Å; M755-V797 VanDerWaalsContact SD-CG1 3.54Å; K756-V797 CarbonylContact O-C 3.48Å; K756-V797 WeakPolarHBondContact O-CA 3.32Å; M757-V797 HydrophobicContact CB-CG2 4.32Å; L795-V797 HydrophobicContact CD1-CG2 4.22Å; L795-V797 HydrophobicContact CD2-CG2 4.45Å; L795-V797 HydrophobicContact CG-CG2 4.06Å; V797-V806 PolarHBondContact N-O 3.12Å; V797-V806 PolarHBondContact O-N 3.37Å; V797-V808 HydrophobicContact CB-CG2 3.88Å; V797-V808 HydrophobicContact CG2-CB 4.42Å; V797-V808 HydrophobicContact CG2-CG2 3.57Å; V797-M850 HydrophobicContact CG2-CB 4.35Å; V797-M850 HydrophobicContact CG2-CG 4.04Å; V797-M850 HydrophobicContact CG2-SD 4.36Å |
| 798 | R | 85 | Confident | 82.5 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 108.9 | -178.2 | -172.8 | 179.2 | 103.2 | 98.2 | 6.8 | 110 | K756 S803 W805 | K756-R798 PolarHBondContact N-O 3.5Å; K756-R798 PolarHBondContact O-N 3.05Å; R798-S803 VanDerWaalsContact CD-O 3.27Å; R798-S803 WeakPolarHBondContact CD-O 3.49Å; R798-S803 VanDerWaalsContact NH1-CA 3.33Å; R798-S803 VanDerWaalsContact NH1-CB 3.32Å; R798-S803 PolarHBondContact NH1-O 3.17Å; R798-S803 PolarHBondContact NH1-OG 3.39Å; R798-S803 VanDerWaalsContact NH1-OG 3.11Å; R798-W805 HydrophobicContact CB-CD2 3.88Å; R798-W805 HydrophobicContact CB-CE3 3.58Å; R798-W805 HydrophobicContact CB-CH2 4.13Å; R798-W805 HydrophobicContact CB-CZ2 4.41Å; R798-W805 HydrophobicContact CB-CZ3 3.71Å; R798-W805 HydrophobicContact CG-CD2 4.4Å |
| 799 | S | 81.3 | Confident | 82.7 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 145.3 | 169.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | E801 S803 | S799-E801 PolarHBondContact O-N 3.1Å; S799-E801 PolarHBondContact OG-N 3.25Å; S799-E801 VanDerWaalsContact OG-N 3.16Å; S799-S803 PolarHBondContact O-N 2.69Å; S799-S803 VanDerWaalsContact O-N 3.15Å |
| 800 | S | 73 | Confident | 82.7 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -30.3 | 171.7 | 41.7 | 0 | 0 | 0 | 0 | 112.4 | N754 | N754-S800 PolarHBondContact ND2-OG 3.43Å; N754-S800 PolarHBondContact O-OG 3.08Å; N754-S800 PolarHBondContact OD1-OG 3.27Å; N754-S800 VanDerWaalsContact OD1-OG 3.05Å |
| 801 | E | 68.3 | Low | 82.7 | Confident | 170 Ų | 170 | 62.5 Ų | 62.5 | 79% | 0.794 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -36.1 | -178 | -60.2 | 179.2 | 170.1 | 0 | 0 | 113.4 | S799 | S799-E801 PolarHBondContact O-N 3.1Å; S799-E801 PolarHBondContact OG-N 3.25Å; S799-E801 VanDerWaalsContact OG-N 3.16Å |
| 802 | R | 63.9 | Low | 82.7 | Confident | 161 Ų | 161 | 56.6 Ų | 56.6 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -15.5 | -170.2 | -82.2 | 174 | 165.3 | -179.2 | 0.1 | 115.3 | K804 E846 | R802-K804 PolarHBondContact O-N 3.32Å; R802-E846 WeakPolarHBondContact CD-OE1 3.43Å; R802-E846 IonicContact NH1-OE1 3.87Å; R802-E846 IonicContact NH1-OE2 3.15Å; R802-E846 PolarHBondContact NH1-OE2 3.2Å |
| 803 | S | 72.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | trans | 54.4 | -5.6 | 174.3 | -86.2 | 0 | 0 | 0 | 0 | 119 | R798 S799 | R798-S803 VanDerWaalsContact CD-O 3.27Å; R798-S803 WeakPolarHBondContact CD-O 3.49Å; R798-S803 VanDerWaalsContact NH1-CA 3.33Å; R798-S803 VanDerWaalsContact NH1-CB 3.32Å; R798-S803 PolarHBondContact NH1-O 3.17Å; R798-S803 PolarHBondContact NH1-OG 3.39Å; R798-S803 VanDerWaalsContact NH1-OG 3.11Å; S799-S803 PolarHBondContact O-N 2.69Å; S799-S803 VanDerWaalsContact O-N 3.15Å | ||
| 804 | K | 83.6 | Confident | 80.2 | Confident | 158 Ų | 158 | 59.5 Ų | 59.5 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -89.1 | 141.7 | 173.6 | -175.4 | 173.7 | -179.2 | 175.1 | 0 | 111 | R802 | R802-K804 PolarHBondContact O-N 3.32Š|
| 805 | W | 85.8 | Confident | 78.4 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | trans | -75.7 | 134 | 171.3 | -67.2 | 102 | 0 | 0 | 0 | 110.9 | K756 K758 W765 I770 L796 R798 | K756-W805 HydrophobicContact CB-CH2 4.34Å; K756-W805 WeakPolarHBondContact O-CZ3 3.41Å; K758-W805 HydrophobicContact CB-CH2 4.15Å; K758-W805 HydrophobicContact CB-CZ3 4.11Å; K758-W805 HydrophobicContact CD-CH2 3.87Å; K758-W805 HydrophobicContact CD-CZ2 4.07Å; K758-W805 HydrophobicContact CG-CH2 3.73Å; K758-W805 HydrophobicContact CG-CZ2 4.43Å; K758-W805 HydrophobicContact CG-CZ3 4.18Å; W765-W805 HydrophobicContact CH2-CB 4.17Å; W765-W805 HydrophobicContact CZ3-CB 4.43Å; I770-W805 HydrophobicContact CD1-CB 4.01Å; I770-W805 HydrophobicContact CD1-CD2 4.37Å; I770-W805 HydrophobicContact CD1-CG 3.63Å; L796-W805 HydrophobicContact CB-CD2 4.44Å; L796-W805 HydrophobicContact CB-CE3 3.75Å; L796-W805 HydrophobicContact CB-CZ3 4.43Å; R798-W805 HydrophobicContact CB-CD2 3.88Å; R798-W805 HydrophobicContact CB-CE3 3.58Å; R798-W805 HydrophobicContact CB-CH2 4.13Å; R798-W805 HydrophobicContact CB-CZ2 4.41Å; R798-W805 HydrophobicContact CB-CZ3 3.71Å; R798-W805 HydrophobicContact CG-CD2 4.4Å | ||
| 806 | V | 87.2 | Confident | 76.9 | Confident | 35 Ų | 35 | 75 Ų | 75 | 21% | 0.212 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.5 | 178.2 | -170 | 0 | 0 | 0 | 0 | 109.1 | L796 V797 S844 E846 | L796-V806 WeakPolarHBondContact CA-O 3.43Å; V797-V806 PolarHBondContact N-O 3.12Å; V797-V806 PolarHBondContact O-N 3.37Å; V806-S844 WeakPolarHBondContact CG1-OG 3.42Å; V806-E846 HydrophobicContact CB-CB 4.36Å; V806-E846 HydrophobicContact CG2-CB 4.47Å; V806-E846 HydrophobicContact CG2-CG 4.32Å |
| 807 | N | 88.9 | Confident | 75.7 | Confident | 53 Ų | 53 | 78.7 Ų | 78.7 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 132.3 | 175.6 | -173 | 8.2 | 0 | 0 | 0 | 110.1 | W765 L795 L796 | W765-N807 HydrophobicContact CZ2-CB 4.45Å; L795-N807 WeakPolarHBondContact O-CA 3.37Å; L795-N807 PolarHBondContact O-OD1 2.84Å; L796-N807 HydrophobicContact CD2-CB 3.94Å |
| 808 | V | 88.4 | Confident | 74.7 | Confident | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.3 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | L795 V797 E847 M850 M862 | L795-V808 HydrophobicContact CB-CB 4.5Å; L795-V808 HydrophobicContact CD2-CB 4.01Å; L795-V808 HydrophobicContact CD2-CG1 4.02Å; L795-V808 HydrophobicContact CG-CB 4.15Å; L795-V808 PolarHBondContact O-N 2.97Å; V797-V808 HydrophobicContact CB-CG2 3.88Å; V797-V808 HydrophobicContact CG2-CB 4.42Å; V797-V808 HydrophobicContact CG2-CG2 3.57Å; V808-E847 HydrophobicContact CG1-CG 4.25Å; V808-E847 HydrophobicContact CG2-CB 4.31Å; V808-M850 HydrophobicContact CG1-CB 3.95Å; V808-M850 HydrophobicContact CG1-CG 3.89Å; V808-M850 HydrophobicContact CG2-CB 4.12Å; V808-M850 HydrophobicContact CG2-CG 4.4Å; V808-M862 WeakPolarHBondContact O-CE 3.35Å |
| 809 | R | 89.1 | Confident | 73.8 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 17% | 0.166 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 163.3 | 178 | -65.7 | 171.8 | -66.3 | 142.1 | -0.7 | 111.5 | G837 C839 F841 E847 W851 | R809-G837 PolarHBondContact NH1-O 3.3Å; R809-C839 PolarHBondContact NH1-O 3.26Å; R809-F841 PolarHBondContact NH2-O 2.77Å; R809-E847 WeakPolarHBondContact CB-OE1 3.11Å; R809-E847 WeakPolarHBondContact CG-OE1 3.25Å; R809-E847 IonicContact CZ-OE1 3.9Å; R809-E847 IonicContact CZ-OE2 3.54Å; R809-E847 PolarHBondContact N-OE1 2.93Å; R809-E847 IonicContact NE-OE1 3.13Å; R809-E847 PolarHBondContact NE-OE1 3.42Å; R809-E847 IonicContact NE-OE2 3.76Å; R809-E847 PolarHBondContact NE-OE2 3.37Å; R809-E847 IonicContact NH2-OE1 2.72Å; R809-E847 IonicContact NH2-OE2 3.49Å; R809-E847 PolarHBondContact NH2-OE2 3.15Å; R809-W851 HydrophobicContact CB-CZ2 4.25Å; R809-W851 VanDerWaalsContact NH2-CH2 3.33Å; R809-W851 PolarHBondContact O-NE1 2.75Å |
| 810 | P | 83 | Confident | 73.2 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 157.4 | 167.9 | -22.3 | 32.2 | 0 | 0 | 0 | 112.7 | M862 | P810-M862 HydrophobicContact CB-CG 3.91Å; P810-M862 HydrophobicContact CB-SD 4.38Å; P810-M862 HydrophobicContact CG-CG 3.85Å |
| 811 | L | 81.1 | Confident | 73.6 | Confident | 4 Ų | 4 | 83.4 Ų | 83.4 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 132.1 | 172.4 | -109.6 | 71 | 0 | 0 | 0 | 110.2 | H813 F817 Y821 W851 M854 K855 Y860 | L811-H813 PolarHBondContact O-N 2.8Å; L811-H813 PolarHBondContact O-ND1 3.14Å; L811-F817 HydrophobicContact CD2-CD1 4.18Å; L811-F817 HydrophobicContact CD2-CE1 3.98Å; L811-Y821 WeakPolarHBondContact CD2-OH 3.38Å; L811-W851 HydrophobicContact CD1-CB 4.17Å; L811-W851 HydrophobicContact CD1-CG 4.09Å; L811-M854 HydrophobicContact CD1-CB 3.66Å; L811-M854 HydrophobicContact CD1-CE 3.51Å; L811-M854 HydrophobicContact CD1-CG 4.31Å; L811-M854 HydrophobicContact CD1-SD 3.72Å; L811-K855 HydrophobicContact CD2-CB 4.46Å; L811-Y860 HydrophobicContact CD2-CD1 4.35Å |
| 812 | P | 78.1 | Confident | 74.2 | Confident | 24 Ų | 24 | 78 Ų | 78 | 16% | 0.156 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 123.4 | 172.7 | -25.6 | 34.8 | 0 | 0 | 0 | 110.7 | A814 Y821 W851 | P812-A814 PolarHBondContact O-N 2.99Å; P812-A814 VanDerWaalsContact O-N 3.07Å; P812-Y821 HydrophobicContact CG-CE1 4.36Å; P812-W851 HydrophobicContact CG-CE3 4.41Å; P812-W851 HydrophobicContact CG-CH2 3.52Å; P812-W851 HydrophobicContact CG-CZ2 3.97Å; P812-W851 HydrophobicContact CG-CZ3 3.78Å |
| 813 | H | 60 | Low | 75.2 | Confident | 185 Ų | 185 | 72 Ų | 72 | 86% | 0.856 | 37% | 0.365 | S | S | * | . | trans | -67.8 | 107.9 | -179.4 | -84.8 | 47.1 | 0 | 0 | 0 | 110.6 | L811 | L811-H813 PolarHBondContact O-N 2.8Å; L811-H813 PolarHBondContact O-ND1 3.14Å | ||
| 814 | A | 56.7 | Low | 75.7 | Confident | 44 Ų | 44 | 69 Ų | 69 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -133.6 | 136.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P812 N816 | P812-A814 PolarHBondContact O-N 2.99Å; P812-A814 VanDerWaalsContact O-N 3.07Å; A814-N816 WeakPolarHBondContact CB-O 3.47Å; A814-N816 PolarHBondContact O-N 2.94Å; A814-N816 VanDerWaalsContact O-N 3.13Å | ||
| 815 | K | 51.5 | Low | 75.6 | Confident | 218 Ų | 218 | 64.4 Ų | 64.4 | 95% | 0.948 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -60.8 | -21.6 | 176.1 | -69 | -176.7 | 177.1 | 179.9 | 0 | 113.2 | ||
| 816 | N | 59 | Low | 75.3 | Confident | 129 Ų | 129 | 63.7 Ų | 63.7 | 69% | 0.69 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -134.3 | 118.2 | 170.1 | -70.4 | -52.4 | 0 | 0 | 0 | 108.1 | A814 | A814-N816 WeakPolarHBondContact CB-O 3.47Å; A814-N816 PolarHBondContact O-N 2.94Å; A814-N816 VanDerWaalsContact O-N 3.13Å |
| 817 | F | 65.5 | Low | 74.9 | Confident | 76 Ų | 76 | 64 Ų | 64 | 33% | 0.333 | 34% | 0.336 | S | S | . | . | trans | -70.9 | 133.9 | 176 | -63.6 | -69.9 | 0 | 0 | 0 | 110.9 | L811 Y821 K855 Y860 | L811-F817 HydrophobicContact CD2-CD1 4.18Å; L811-F817 HydrophobicContact CD2-CE1 3.98Å; F817-Y821 WeakPolarHBondContact CD1-OH 3.01Å; F817-K855 HydrophobicContact CB-CD 4.42Å; F817-Y860 HydrophobicContact CD2-CD1 4.19Å; F817-Y860 AromaticContact CD2-CE1 3.76Å; F817-Y860 HydrophobicContact CD2-CE1 3.76Å; F817-Y860 HydrophobicContact CE1-CD1 4.34Å; F817-Y860 AromaticContact CE2-CD1 3.41Å; F817-Y860 HydrophobicContact CE2-CD1 3.41Å; F817-Y860 VanDerWaalsContact CE2-CD1 3.41Å; F817-Y860 AromaticContact CE2-CE1 3.35Å; F817-Y860 HydrophobicContact CE2-CE1 3.35Å; F817-Y860 HydrophobicContact CE2-CG 4.37Å; F817-Y860 AromaticContact CZ-CD1 3.5Å; F817-Y860 HydrophobicContact CZ-CD1 3.5Å; F817-Y860 VanDerWaalsContact CZ-CD1 3.5Å; F817-Y860 AromaticContact CZ-CE1 3.94Å; F817-Y860 HydrophobicContact CZ-CE1 3.94Å; F817-Y860 HydrophobicContact CZ-CG 4.36Å | ||
| 818 | P | 67.7 | Low | 74.4 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | trans | -64.8 | 152.8 | -177.8 | 29.6 | -36.5 | 0 | 0 | 0 | 111 | Y820 Y821 K855 | P818-Y820 WeakPolarHBondContact CB-O 3.34Å; P818-Y820 PolarHBondContact O-N 3.21Å; P818-Y821 HydrophobicContact CG-CD1 3.84Å; P818-Y821 HydrophobicContact CG-CE1 3.63Å; P818-Y821 HydrophobicContact CG-CG 4.44Å; P818-K855 PolarHBondContact O-NZ 3.34Å | ||
| 819 | L | 66.1 | Low | 74 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -58.3 | -37.8 | -179.1 | -83.4 | 173 | 0 | 0 | 0 | 112 | K855 | L819-K855 PolarHBondContact O-NZ 3.22Š|
| 820 | Y | 69 | Low | 73.3 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -140.7 | 154.7 | 168.5 | 51.6 | -85.8 | 0 | 0 | 0 | 110.3 | I655 P818 D822 M852 | I655-Y820 HydrophobicContact CD1-CE1 4.25Å; I655-Y820 WeakPolarHBondContact CD1-OH 3.33Å; I655-Y820 VanDerWaalsContact CG1-OH 3.29Å; I655-Y820 WeakPolarHBondContact CG1-OH 3.41Å; P818-Y820 WeakPolarHBondContact CB-O 3.34Å; P818-Y820 PolarHBondContact O-N 3.21Å; Y820-D822 WeakPolarHBondContact CD2-OD2 3.32Å; Y820-D822 WeakPolarHBondContact CE2-OD2 3.08Å; Y820-M852 VanDerWaalsContact CA-SD 3.53Å |
| 821 | Y | 80.1 | Confident | 72.7 | Confident | 6 Ų | 6 | 83.5 Ų | 83.5 | 2% | 0.024 | 41% | 0.414 | C | S | . | . | trans | -89.1 | 142.2 | 170.4 | -67.4 | -80.5 | 0 | 0 | 0 | 110.3 | L811 P812 F817 P818 R848 W851 M852 K855 | L811-Y821 WeakPolarHBondContact CD2-OH 3.38Å; P812-Y821 HydrophobicContact CG-CE1 4.36Å; F817-Y821 WeakPolarHBondContact CD1-OH 3.01Å; P818-Y821 HydrophobicContact CG-CD1 3.84Å; P818-Y821 HydrophobicContact CG-CE1 3.63Å; P818-Y821 HydrophobicContact CG-CG 4.44Å; Y821-R848 PolarHBondContact O-NE 3.45Å; Y821-R848 VanDerWaalsContact O-NE 3.08Å; Y821-R848 PolarHBondContact O-NH1 2.78Å; Y821-R848 PolarHBondContact O-NH2 2.9Å; Y821-W851 HydrophobicContact CD1-CD2 4.49Å; Y821-W851 AromaticContact CD1-CE3 3.55Å; Y821-W851 HydrophobicContact CD1-CE3 3.55Å; Y821-W851 HydrophobicContact CD1-CZ3 4.01Å; Y821-W851 HydrophobicContact CD2-CB 3.61Å; Y821-W851 HydrophobicContact CD2-CE3 4.36Å; Y821-W851 HydrophobicContact CE1-CE3 4.11Å; Y821-W851 HydrophobicContact CE2-CB 3.82Å; Y821-W851 HydrophobicContact CG-CB 4.11Å; Y821-W851 AromaticContact CG-CE3 3.7Å; Y821-W851 HydrophobicContact CG-CE3 3.7Å; Y821-M852 HydrophobicContact CD2-CG 4.45Å; Y821-M852 HydrophobicContact CD2-SD 4.01Å; Y821-K855 HydrophobicContact CE2-CB 4.44Å; Y821-K855 HydrophobicContact CE2-CD 4.41Å | ||
| 822 | D | 81.6 | Confident | 72.2 | Confident | 57 Ų | 57 | 92.5 Ų | 92.5 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | trans | -111.4 | 160.8 | 176.6 | -77.7 | -47.4 | 0 | 0 | 0 | 113.6 | Y820 F841 A842 R848 | Y820-D822 WeakPolarHBondContact CD2-OD2 3.32Å; Y820-D822 WeakPolarHBondContact CE2-OD2 3.08Å; D822-F841 HydrophobicContact CB-CD1 4.35Å; D822-F841 WeakPolarHBondContact O-CA 3.46Å; D822-A842 PolarHBondContact O-N 3.24Å; D822-R848 IonicContact OD1-CZ 3.77Å; D822-R848 VanDerWaalsContact OD1-CZ 3.24Å; D822-R848 IonicContact OD1-NH1 3.81Å; D822-R848 PolarHBondContact OD1-NH1 3.06Å; D822-R848 IonicContact OD1-NH2 3.75Å; D822-R848 PolarHBondContact OD1-NH2 2.83Å | ||
| 823 | M | 83.9 | Confident | 72.2 | Confident | 34 Ų | 34 | 92.4 Ų | 92.4 | 17% | 0.167 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 140.2 | 178.6 | -69.6 | -62.1 | -57.9 | 0 | 0 | 110.6 | A825 L828 A842 S844 R848 | M823-A825 PolarHBondContact O-N 2.87Å; M823-L828 HydrophobicContact CB-CD1 3.91Å; M823-L828 HydrophobicContact CB-CD2 3.84Å; M823-L828 HydrophobicContact CB-CG 3.87Å; M823-L828 HydrophobicContact CE-CD2 4.46Å; M823-L828 HydrophobicContact CG-CD2 4.22Å; M823-A842 WeakPolarHBondContact CA-O 3.35Å; M823-A842 HydrophobicContact SD-CB 4.12Å; M823-S844 VanDerWaalsContact SD-C 3.57Å; M823-S844 VanDerWaalsContact SD-O 3.4Å; M823-R848 HydrophobicContact SD-CB 4.18Å |
| 824 | C | 82.9 | Confident | 72.8 | Confident | 6 Ų | 6 | 89.6 Ų | 89.6 | 4% | 0.041 | 44% | 0.444 | C | S | . | . | trans | -65 | 124.3 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | Q826 V827 L828 C833 F841 A842 | C824-Q826 VanDerWaalsContact C-N 3.31Å; C824-Q826 PolarHBondContact O-N 3.49Å; C824-V827 HydrophobicContact CB-CB 4.15Å; C824-V827 HydrophobicContact CB-CG2 3.88Å; C824-V827 PolarHBondContact O-N 3.33Å; C824-L828 PolarHBondContact O-N 3.24Å; C824-C833 VanDerWaalsContact SG-SG 3.66Å; C824-F841 HydrophobicContact CB-CB 3.79Å; C824-A842 PolarHBondContact N-O 3.29Å | ||
| 825 | A | 81.6 | Confident | 73.2 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.7 | -44.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M823 V827 L828 E829 | M823-A825 PolarHBondContact O-N 2.87Å; A825-V827 PolarHBondContact O-N 2.7Å; A825-L828 WeakPolarHBondContact O-CB 3.42Å; A825-L828 PolarHBondContact O-N 3.45Å; A825-L828 VanDerWaalsContact O-N 3.1Å; A825-E829 WeakPolarHBondContact O-CG 3.28Å; A825-E829 PolarHBondContact O-N 3.09Å |
| 826 | Q | 79.2 | Confident | 73.4 | Confident | 46 Ų | 46 | 90.6 Ų | 90.6 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.7 | -36.4 | 177.4 | -61.9 | -171.5 | -46.7 | 0 | 0 | 112.2 | C824 E829 K830 R831 N834 | C824-Q826 VanDerWaalsContact C-N 3.31Å; C824-Q826 PolarHBondContact O-N 3.49Å; Q826-E829 PolarHBondContact O-N 3.5Å; Q826-K830 PolarHBondContact O-N 3.11Å; Q826-R831 HydrophobicContact CB-CB 4.47Å; Q826-R831 CarbonylContact O-C 3.35Å; Q826-R831 WeakPolarHBondContact O-CA 3.45Å; Q826-R831 WeakPolarHBondContact O-CB 3.5Å; Q826-R831 PolarHBondContact O-N 3.24Å; Q826-R831 VanDerWaalsContact O-O 3.11Å; Q826-N834 PolarHBondContact NE2-ND2 2.88Å |
| 827 | V | 79.3 | Confident | 73.3 | Confident | 41 Ų | 41 | 86.9 Ų | 86.9 | 25% | 0.248 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -77 | -33.3 | 178.4 | -178 | 0 | 0 | 0 | 0 | 111.9 | C824 A825 E829 K830 C833 H843 | C824-V827 HydrophobicContact CB-CB 4.15Å; C824-V827 HydrophobicContact CB-CG2 3.88Å; C824-V827 PolarHBondContact O-N 3.33Å; A825-V827 PolarHBondContact O-N 2.7Å; V827-E829 VanDerWaalsContact C-N 3.31Å; V827-K830 PolarHBondContact O-N 2.96Å; V827-K830 VanDerWaalsContact O-N 3.08Å; V827-C833 HydrophobicContact CG2-CB 4.07Å; V827-H843 WeakPolarHBondContact CG1-O 3.29Å; V827-H843 HydrophobicContact CG2-CB 4.34Å |
| 828 | L | 79.4 | Confident | 73.2 | Confident | 111 Ų | 111 | 90.2 Ų | 90.2 | 58% | 0.581 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 170 | -68 | 175.5 | 0 | 0 | 0 | 111.6 | M823 C824 A825 K830 | M823-L828 HydrophobicContact CB-CD1 3.91Å; M823-L828 HydrophobicContact CB-CD2 3.84Å; M823-L828 HydrophobicContact CB-CG 3.87Å; M823-L828 HydrophobicContact CE-CD2 4.46Å; M823-L828 HydrophobicContact CG-CD2 4.22Å; C824-L828 PolarHBondContact O-N 3.24Å; A825-L828 WeakPolarHBondContact O-CB 3.42Å; A825-L828 PolarHBondContact O-N 3.45Å; A825-L828 VanDerWaalsContact O-N 3.1Å; L828-K830 PolarHBondContact O-N 3.12Å |
| 829 | E | 79.2 | Confident | 73.7 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 53% | 0.528 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 3.9 | 172.1 | -69.1 | 174.5 | -141.3 | 0 | 0 | 114 | A825 Q826 V827 R831 | A825-E829 WeakPolarHBondContact O-CG 3.28Å; A825-E829 PolarHBondContact O-N 3.09Å; Q826-E829 PolarHBondContact O-N 3.5Å; V827-E829 VanDerWaalsContact C-N 3.31Å; E829-R831 HydrophobicContact CB-CG 4.09Å; E829-R831 PolarHBondContact O-N 3.32Å; E829-R831 VanDerWaalsContact O-N 3.14Å; E829-R831 IonicContact OE2-CZ 2.63Å; E829-R831 IonicContact OE2-NE 2.66Å; E829-R831 PolarHBondContact OE2-NE 2.79Å; E829-R831 IonicContact OE2-NH2 3.3Å |
| 830 | K | 74.2 | Confident | 74.3 | Confident | 201 Ų | 201 | 85.5 Ų | 85.5 | 87% | 0.874 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 10.3 | -174 | -50.1 | 174.9 | -176.9 | 171.8 | 0 | 114.9 | Q826 V827 L828 | Q826-K830 PolarHBondContact O-N 3.11Å; V827-K830 PolarHBondContact O-N 2.96Å; V827-K830 VanDerWaalsContact O-N 3.08Å; L828-K830 PolarHBondContact O-N 3.12Å |
| 831 | R | 71.3 | Confident | 75.1 | Confident | 160 Ų | 160 | 87.9 Ų | 87.9 | 60% | 0.604 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 158 | 172.2 | -55 | -175.7 | -168 | -108.2 | -0.3 | 109.8 | Q826 E829 | Q826-R831 HydrophobicContact CB-CB 4.47Å; Q826-R831 CarbonylContact O-C 3.35Å; Q826-R831 WeakPolarHBondContact O-CA 3.45Å; Q826-R831 WeakPolarHBondContact O-CB 3.5Å; Q826-R831 PolarHBondContact O-N 3.24Å; Q826-R831 VanDerWaalsContact O-O 3.11Å; E829-R831 HydrophobicContact CB-CG 4.09Å; E829-R831 PolarHBondContact O-N 3.32Å; E829-R831 VanDerWaalsContact O-N 3.14Å; E829-R831 IonicContact OE2-CZ 2.63Å; E829-R831 IonicContact OE2-NE 2.66Å; E829-R831 PolarHBondContact OE2-NE 2.79Å; E829-R831 IonicContact OE2-NH2 3.3Å |
| 832 | K | 70.6 | Confident | 75.3 | Confident | 192 Ų | 192 | 87.6 Ų | 87.6 | 84% | 0.835 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 142.1 | 167.3 | -68.7 | -179.7 | -179.8 | 176 | 0 | 108.6 | ||
| 833 | C | 78.6 | Confident | 75.5 | Confident | 23 Ų | 23 | 87.7 Ų | 87.7 | 16% | 0.155 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 126.3 | 175 | -175.6 | 0 | 0 | 0 | 0 | 110 | C824 V827 Y835 C839 H843 | C824-C833 VanDerWaalsContact SG-SG 3.66Å; V827-C833 HydrophobicContact CG2-CB 4.07Å; C833-Y835 PolarHBondContact O-N 2.7Å; C833-C839 VanDerWaalsContact SG-SG 3.68Å; C833-H843 PolarHBondContact SG-NE2 3.41Å |
| 834 | N | 71.3 | Confident | 75.5 | Confident | 126 Ų | 126 | 86.7 Ų | 86.7 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -72.3 | -17.1 | -179.9 | -64.5 | -4.5 | 0 | 0 | 0 | 112.4 | Q826 T836 | Q826-N834 PolarHBondContact NE2-ND2 2.88Å; N834-T836 PolarHBondContact O-N 2.7Å |
| 835 | Y | 65.5 | Low | 75.6 | Confident | 152 Ų | 152 | 89.8 Ų | 89.8 | 60% | 0.596 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -88.6 | 82.2 | 177.7 | -61.8 | -82.8 | 0 | 0 | 0 | 110.8 | C833 G837 | C833-Y835 PolarHBondContact O-N 2.7Å; Y835-G837 PolarHBondContact O-N 2.75Å |
| 836 | T | 55.7 | Low | 75.8 | Confident | 130 Ų | 130 | 87.2 Ų | 87.2 | 80% | 0.798 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 118.9 | 173.8 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | N834 N838 | N834-T836 PolarHBondContact O-N 2.7Å; T836-N838 PolarHBondContact O-N 2.91Å |
| 837 | G | 57.5 | Low | 76.3 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 54% | 0.536 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -63.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R809 Y835 C839 | R809-G837 PolarHBondContact NH1-O 3.3Å; Y835-G837 PolarHBondContact O-N 2.75Å; G837-C839 VanDerWaalsContact C-N 3.3Å; G837-C839 PolarHBondContact O-N 2.82Å; G837-C839 VanDerWaalsContact O-N 3.13Å |
| 838 | N | 62.1 | Low | 76.6 | Confident | 146 Ų | 146 | 86 Ų | 86 | 78% | 0.781 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 20.4 | -161.4 | -66.6 | 2.8 | 0 | 0 | 0 | 115.6 | T836 S840 | T836-N838 PolarHBondContact O-N 2.91Å; N838-S840 PolarHBondContact O-N 2.98Å |
| 839 | C | 78.3 | Confident | 76.9 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.034 | 42% | 0.418 | C | S | . | . | trans | -73.4 | 116.9 | 175.9 | -161 | 0 | 0 | 0 | 0 | 111.5 | R809 C833 G837 F841 H843 | R809-C839 PolarHBondContact NH1-O 3.26Å; C833-C839 VanDerWaalsContact SG-SG 3.68Å; G837-C839 VanDerWaalsContact C-N 3.3Å; G837-C839 PolarHBondContact O-N 2.82Å; G837-C839 VanDerWaalsContact O-N 3.13Å; C839-F841 PolarHBondContact O-N 3.49Å; C839-F841 VanDerWaalsContact O-N 3.15Å; C839-H843 VanDerWaalsContact CB-NE2 3.26Å; C839-H843 WeakPolarHBondContact CB-NE2 3.35Å | ||
| 840 | S | 79.4 | Confident | 77.3 | Confident | 75 Ų | 75 | 79.4 Ų | 79.4 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -70.7 | -2.2 | 176.1 | -52.5 | 0 | 0 | 0 | 0 | 114.8 | N838 | N838-S840 PolarHBondContact O-N 2.98Š|
| 841 | F | 85.8 | Confident | 77.9 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 48% | 0.478 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -106.7 | 152 | 178 | -58.4 | -84 | 0 | 0 | 0 | 110.8 | R809 D822 C824 C839 | R809-F841 PolarHBondContact NH2-O 2.77Å; D822-F841 HydrophobicContact CB-CD1 4.35Å; D822-F841 WeakPolarHBondContact O-CA 3.46Å; C824-F841 HydrophobicContact CB-CB 3.79Å; C839-F841 PolarHBondContact O-N 3.49Å; C839-F841 VanDerWaalsContact O-N 3.15Å |
| 842 | A | 84.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 136.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D822 M823 C824 E847 R848 W851 | D822-A842 PolarHBondContact O-N 3.24Å; M823-A842 WeakPolarHBondContact CA-O 3.35Å; M823-A842 HydrophobicContact SD-CB 4.12Å; C824-A842 PolarHBondContact N-O 3.29Å; A842-E847 WeakPolarHBondContact CA-OE2 3.37Å; A842-E847 HydrophobicContact CB-CB 4.43Å; A842-E847 HydrophobicContact CB-CG 4.36Å; A842-R848 HydrophobicContact CB-CB 3.75Å; A842-W851 HydrophobicContact CB-CE3 4.22Å; A842-W851 HydrophobicContact CB-CZ3 4.13Å |
| 843 | H | 84.4 | Confident | 79.3 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -93.7 | -0.8 | 177.1 | -66.4 | -178.8 | 0 | 0 | 0 | 112.6 | V827 C833 C839 E847 | V827-H843 WeakPolarHBondContact CG1-O 3.29Å; V827-H843 HydrophobicContact CG2-CB 4.34Å; C833-H843 PolarHBondContact SG-NE2 3.41Å; C839-H843 VanDerWaalsContact CB-NE2 3.26Å; C839-H843 WeakPolarHBondContact CB-NE2 3.35Å; H843-E847 PolarHBondContact N-OE2 3.27Å |
| 844 | S | 85.3 | Confident | 79.6 | Confident | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -153.4 | 160.6 | 172.1 | 65.8 | 0 | 0 | 0 | 0 | 111 | V806 M823 E846 E847 R848 | V806-S844 WeakPolarHBondContact CG1-OG 3.42Å; M823-S844 VanDerWaalsContact SD-C 3.57Å; M823-S844 VanDerWaalsContact SD-O 3.4Å; S844-E846 WeakPolarHBondContact CB-OE2 3.3Å; S844-E846 PolarHBondContact O-N 3.38Å; S844-E847 PolarHBondContact O-N 2.79Å; S844-E847 WeakPolarHBondContact OG-CB 3.28Å; S844-E847 PolarHBondContact OG-N 3.41Å; S844-R848 PolarHBondContact O-N 3.47Å |
| 845 | Q | 83.6 | Confident | 80.2 | Confident | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 174.8 | -177.7 | 63.3 | 22.2 | 0 | 0 | 110.1 | R848 E849 | Q845-R848 WeakPolarHBondContact O-CB 3.38Å; Q845-R848 PolarHBondContact O-N 2.86Å; Q845-E849 WeakPolarHBondContact CG-OE1 3.26Å; Q845-E849 PolarHBondContact NE2-OE1 2.83Å; Q845-E849 WeakPolarHBondContact O-CB 3.49Å; Q845-E849 WeakPolarHBondContact O-CG 3.3Å; Q845-E849 PolarHBondContact O-N 3.25Å |
| 846 | E | 87.8 | Confident | 81 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.8 | -62.3 | 80.2 | 175.5 | 0 | 0 | 112 | M755 R802 V806 S844 M850 | M755-E846 HydrophobicContact SD-CB 4.2Å; M755-E846 HydrophobicContact SD-CG 4.21Å; R802-E846 WeakPolarHBondContact CD-OE1 3.43Å; R802-E846 IonicContact NH1-OE1 3.87Å; R802-E846 IonicContact NH1-OE2 3.15Å; R802-E846 PolarHBondContact NH1-OE2 3.2Å; V806-E846 HydrophobicContact CB-CB 4.36Å; V806-E846 HydrophobicContact CG2-CB 4.47Å; V806-E846 HydrophobicContact CG2-CG 4.32Å; S844-E846 WeakPolarHBondContact CB-OE2 3.3Å; S844-E846 PolarHBondContact O-N 3.38Å; E846-M850 VanDerWaalsContact O-CB 3.29Å; E846-M850 WeakPolarHBondContact O-CB 3.44Å; E846-M850 PolarHBondContact O-N 2.9Å |
| 847 | E | 87.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -42.4 | 172.6 | -177.7 | 172.8 | -114.8 | 0 | 0 | 111.4 | V808 R809 A842 H843 S844 E849 M850 W851 | V808-E847 HydrophobicContact CG1-CG 4.25Å; V808-E847 HydrophobicContact CG2-CB 4.31Å; R809-E847 WeakPolarHBondContact CB-OE1 3.11Å; R809-E847 WeakPolarHBondContact CG-OE1 3.25Å; R809-E847 IonicContact CZ-OE1 3.9Å; R809-E847 IonicContact CZ-OE2 3.54Å; R809-E847 PolarHBondContact N-OE1 2.93Å; R809-E847 IonicContact NE-OE1 3.13Å; R809-E847 PolarHBondContact NE-OE1 3.42Å; R809-E847 IonicContact NE-OE2 3.76Å; R809-E847 PolarHBondContact NE-OE2 3.37Å; R809-E847 IonicContact NH2-OE1 2.72Å; R809-E847 IonicContact NH2-OE2 3.49Å; R809-E847 PolarHBondContact NH2-OE2 3.15Å; A842-E847 WeakPolarHBondContact CA-OE2 3.37Å; A842-E847 HydrophobicContact CB-CB 4.43Å; A842-E847 HydrophobicContact CB-CG 4.36Å; H843-E847 PolarHBondContact N-OE2 3.27Å; S844-E847 PolarHBondContact O-N 2.79Å; S844-E847 WeakPolarHBondContact OG-CB 3.28Å; S844-E847 PolarHBondContact OG-N 3.41Å; E847-E849 PolarHBondContact O-N 2.95Å; E847-M850 PolarHBondContact O-N 2.69Å; E847-W851 HydrophobicContact CG-CD2 3.97Å; E847-W851 HydrophobicContact CG-CG 4.4Å; E847-W851 HydrophobicContact CG-CH2 4.46Å; E847-W851 HydrophobicContact CG-CZ2 3.88Å; E847-W851 WeakPolarHBondContact O-CB 3.45Å; E847-W851 VanDerWaalsContact O-CG 3.3Å; E847-W851 PolarHBondContact O-N 3.15Å |
| 848 | R | 87.1 | Confident | 83.3 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -50 | 174.1 | 178.9 | -179.4 | 177.9 | 126.5 | 18 | 111.2 | Y821 D822 M823 A842 S844 Q845 M852 | Y821-R848 PolarHBondContact O-NE 3.45Å; Y821-R848 VanDerWaalsContact O-NE 3.08Å; Y821-R848 PolarHBondContact O-NH1 2.78Å; Y821-R848 PolarHBondContact O-NH2 2.9Å; D822-R848 IonicContact OD1-CZ 3.77Å; D822-R848 VanDerWaalsContact OD1-CZ 3.24Å; D822-R848 IonicContact OD1-NH1 3.81Å; D822-R848 PolarHBondContact OD1-NH1 3.06Å; D822-R848 IonicContact OD1-NH2 3.75Å; D822-R848 PolarHBondContact OD1-NH2 2.83Å; M823-R848 HydrophobicContact SD-CB 4.18Å; A842-R848 HydrophobicContact CB-CB 3.75Å; S844-R848 PolarHBondContact O-N 3.47Å; Q845-R848 WeakPolarHBondContact O-CB 3.38Å; Q845-R848 PolarHBondContact O-N 2.86Å; R848-M852 VanDerWaalsContact O-CG 3.22Å; R848-M852 WeakPolarHBondContact O-CG 3.38Å; R848-M852 PolarHBondContact O-N 3.48Å |
| 849 | E | 84.7 | Confident | 84.3 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 39% | 0.393 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.3 | -35.7 | -177.9 | -73.4 | -176.2 | -135.4 | 0 | 0 | 112.6 | M755 Q845 E847 M852 Y853 | M755-E849 HydrophobicContact CE-CB 3.64Å; M755-E849 HydrophobicContact CE-CG 4.12Å; M755-E849 VanDerWaalsContact CE-OE2 3.31Å; M755-E849 WeakPolarHBondContact CE-OE2 3.42Å; Q845-E849 WeakPolarHBondContact CG-OE1 3.26Å; Q845-E849 PolarHBondContact NE2-OE1 2.83Å; Q845-E849 WeakPolarHBondContact O-CB 3.49Å; Q845-E849 WeakPolarHBondContact O-CG 3.3Å; Q845-E849 PolarHBondContact O-N 3.25Å; E847-E849 PolarHBondContact O-N 2.95Å; E849-M852 PolarHBondContact O-N 2.79Å; E849-Y853 PolarHBondContact O-N 2.79Å |
| 850 | M | 87.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -40.5 | 174.5 | -169.1 | 60.7 | -174.7 | 0 | 0 | 112.2 | L753 M757 L795 V797 V808 E846 E847 M852 Y853 M854 V865 | L753-M850 HydrophobicContact CD1-SD 4.15Å; L753-M850 HydrophobicContact CD2-SD 4.12Å; M757-M850 HydrophobicContact SD-CE 4.2Å; L795-M850 HydrophobicContact CD2-CE 3.94Å; L795-M850 HydrophobicContact CD2-CG 4.09Å; V797-M850 HydrophobicContact CG2-CB 4.35Å; V797-M850 HydrophobicContact CG2-CG 4.04Å; V797-M850 HydrophobicContact CG2-SD 4.36Å; V808-M850 HydrophobicContact CG1-CB 3.95Å; V808-M850 HydrophobicContact CG1-CG 3.89Å; V808-M850 HydrophobicContact CG2-CB 4.12Å; V808-M850 HydrophobicContact CG2-CG 4.4Å; E846-M850 VanDerWaalsContact O-CB 3.29Å; E846-M850 WeakPolarHBondContact O-CB 3.44Å; E846-M850 PolarHBondContact O-N 2.9Å; E847-M850 PolarHBondContact O-N 2.69Å; M850-M852 VanDerWaalsContact C-N 3.32Å; M850-M852 PolarHBondContact O-N 2.85Å; M850-Y853 HydrophobicContact CE-CD1 4.1Å; M850-Y853 PolarHBondContact O-N 3.27Å; M850-Y853 HydrophobicContact SD-CD1 4.07Å; M850-M854 HydrophobicContact CE-CG 4.09Å; M850-M854 HydrophobicContact CE-SD 4.5Å; M850-M854 HydrophobicContact CG-CG 4.43Å; M850-M854 HydrophobicContact CG-SD 4.19Å; M850-M854 WeakPolarHBondContact O-CB 3.37Å; M850-M854 VanDerWaalsContact O-CG 3.29Å; M850-M854 WeakPolarHBondContact O-CG 3.32Å; M850-M854 PolarHBondContact O-N 3.06Å; M850-V865 HydrophobicContact CE-CG1 3.7Å |
| 851 | W | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 172.9 | -73.5 | -6.2 | 0 | 0 | 0 | 112.5 | R809 L811 P812 Y821 A842 E847 K855 | R809-W851 HydrophobicContact CB-CZ2 4.25Å; R809-W851 VanDerWaalsContact NH2-CH2 3.33Å; R809-W851 PolarHBondContact O-NE1 2.75Å; L811-W851 HydrophobicContact CD1-CB 4.17Å; L811-W851 HydrophobicContact CD1-CG 4.09Å; P812-W851 HydrophobicContact CG-CE3 4.41Å; P812-W851 HydrophobicContact CG-CH2 3.52Å; P812-W851 HydrophobicContact CG-CZ2 3.97Å; P812-W851 HydrophobicContact CG-CZ3 3.78Å; Y821-W851 HydrophobicContact CD1-CD2 4.49Å; Y821-W851 AromaticContact CD1-CE3 3.55Å; Y821-W851 HydrophobicContact CD1-CE3 3.55Å; Y821-W851 HydrophobicContact CD1-CZ3 4.01Å; Y821-W851 HydrophobicContact CD2-CB 3.61Å; Y821-W851 HydrophobicContact CD2-CE3 4.36Å; Y821-W851 HydrophobicContact CE1-CE3 4.11Å; Y821-W851 HydrophobicContact CE2-CB 3.82Å; Y821-W851 HydrophobicContact CG-CB 4.11Å; Y821-W851 AromaticContact CG-CE3 3.7Å; Y821-W851 HydrophobicContact CG-CE3 3.7Å; A842-W851 HydrophobicContact CB-CE3 4.22Å; A842-W851 HydrophobicContact CB-CZ3 4.13Å; E847-W851 HydrophobicContact CG-CD2 3.97Å; E847-W851 HydrophobicContact CG-CG 4.4Å; E847-W851 HydrophobicContact CG-CH2 4.46Å; E847-W851 HydrophobicContact CG-CZ2 3.88Å; E847-W851 WeakPolarHBondContact O-CB 3.45Å; E847-W851 VanDerWaalsContact O-CG 3.3Å; E847-W851 PolarHBondContact O-N 3.15Å; W851-K855 WeakPolarHBondContact O-CB 3.48Å; W851-K855 PolarHBondContact O-N 3.11Å |
| 852 | M | 85.7 | Confident | 84.3 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 172.4 | -73.5 | -62.3 | -64.1 | 0 | 0 | 111.9 | Y820 Y821 R848 E849 M850 N856 | Y820-M852 VanDerWaalsContact CA-SD 3.53Å; Y821-M852 HydrophobicContact CD2-CG 4.45Å; Y821-M852 HydrophobicContact CD2-SD 4.01Å; R848-M852 VanDerWaalsContact O-CG 3.22Å; R848-M852 WeakPolarHBondContact O-CG 3.38Å; R848-M852 PolarHBondContact O-N 3.48Å; E849-M852 PolarHBondContact O-N 2.79Å; M850-M852 VanDerWaalsContact C-N 3.32Å; M850-M852 PolarHBondContact O-N 2.85Å; M852-N856 VanDerWaalsContact O-CB 3.24Å; M852-N856 WeakPolarHBondContact O-CB 3.22Å; M852-N856 PolarHBondContact O-N 2.72Å; M852-N856 PolarHBondContact O-ND2 3.36Å; M852-N856 PolarHBondContact O-OD1 2.86Å |
| 853 | Y | 84.9 | Confident | 84.3 | Confident | 40 Ų | 40 | 47.2 Ų | 47.2 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -48.9 | 175.5 | 173.3 | -94.8 | 0 | 0 | 0 | 111.9 | L753 E849 M850 K855 N856 N857 L859 | L753-Y853 HydrophobicContact CD1-CD1 3.67Å; L753-Y853 HydrophobicContact CD1-CD2 4.04Å; L753-Y853 HydrophobicContact CD1-CE1 3.62Å; L753-Y853 HydrophobicContact CD1-CE2 3.99Å; L753-Y853 HydrophobicContact CD1-CG 3.88Å; L753-Y853 HydrophobicContact CD2-CD1 4.2Å; L753-Y853 HydrophobicContact CD2-CD2 3.95Å; L753-Y853 HydrophobicContact CD2-CG 3.68Å; L753-Y853 HydrophobicContact CG-CD1 4.03Å; L753-Y853 HydrophobicContact CG-CD2 3.56Å; L753-Y853 HydrophobicContact CG-CE1 4.26Å; L753-Y853 HydrophobicContact CG-CE2 3.8Å; L753-Y853 HydrophobicContact CG-CG 3.68Å; E849-Y853 PolarHBondContact O-N 2.79Å; M850-Y853 HydrophobicContact CE-CD1 4.1Å; M850-Y853 PolarHBondContact O-N 3.27Å; M850-Y853 HydrophobicContact SD-CD1 4.07Å; Y853-K855 PolarHBondContact O-N 2.99Å; Y853-N856 PolarHBondContact O-N 3.33Å; Y853-N856 VanDerWaalsContact O-N 3.14Å; Y853-N857 WeakPolarHBondContact CD2-ND2 3.48Å; Y853-N857 WeakPolarHBondContact CE2-ND2 3.37Å; Y853-N857 PolarHBondContact O-N 2.68Å; Y853-N857 PolarHBondContact O-ND2 2.65Å; Y853-L859 HydrophobicContact CE1-CD1 4.09Å |
| 854 | M | 86 | Confident | 84.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.3 | -52.7 | 177.9 | -79.1 | 172.3 | 73.8 | 0 | 0 | 110.9 | L811 M850 N856 N857 E858 L859 M862 V865 | L811-M854 HydrophobicContact CD1-CB 3.66Å; L811-M854 HydrophobicContact CD1-CE 3.51Å; L811-M854 HydrophobicContact CD1-CG 4.31Å; L811-M854 HydrophobicContact CD1-SD 3.72Å; M850-M854 HydrophobicContact CE-CG 4.09Å; M850-M854 HydrophobicContact CE-SD 4.5Å; M850-M854 HydrophobicContact CG-CG 4.43Å; M850-M854 HydrophobicContact CG-SD 4.19Å; M850-M854 WeakPolarHBondContact O-CB 3.37Å; M850-M854 VanDerWaalsContact O-CG 3.29Å; M850-M854 WeakPolarHBondContact O-CG 3.32Å; M850-M854 PolarHBondContact O-N 3.06Å; M854-N856 PolarHBondContact O-N 3.49Å; M854-N857 CarbonylContact O-C 3.58Å; M854-N857 PolarHBondContact O-N 2.94Å; M854-E858 PolarHBondContact O-N 3.47Å; M854-E858 VanDerWaalsContact O-N 3.15Å; M854-L859 HydrophobicContact CB-CB 4.29Å; M854-L859 WeakPolarHBondContact CB-O 3.14Å; M854-L859 HydrophobicContact CG-CB 4.43Å; M854-L859 PolarHBondContact O-N 2.83Å; M854-M862 HydrophobicContact CE-SD 3.61Å; M854-M862 HydrophobicContact SD-SD 4.43Å; M854-V865 HydrophobicContact CE-CG2 3.62Å; M854-V865 HydrophobicContact CG-CG2 3.79Å; M854-V865 HydrophobicContact SD-CG2 4.03Å |
| 855 | K | 83 | Confident | 84.4 | Confident | 40 Ų | 40 | 48 Ų | 48 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 175.1 | -176.7 | -162.1 | 162.7 | -168.6 | 0 | 112.6 | L811 F817 P818 L819 Y821 W851 Y853 N857 E858 | L811-K855 HydrophobicContact CD2-CB 4.46Å; F817-K855 HydrophobicContact CB-CD 4.42Å; P818-K855 PolarHBondContact O-NZ 3.34Å; L819-K855 PolarHBondContact O-NZ 3.22Å; Y821-K855 HydrophobicContact CE2-CB 4.44Å; Y821-K855 HydrophobicContact CE2-CD 4.41Å; W851-K855 WeakPolarHBondContact O-CB 3.48Å; W851-K855 PolarHBondContact O-N 3.11Å; Y853-K855 PolarHBondContact O-N 2.99Å; K855-N857 PolarHBondContact O-N 3.45Å; K855-E858 PolarHBondContact O-N 3.2Å; K855-E858 VanDerWaalsContact O-N 3.16Å |
| 856 | N | 81.6 | Confident | 84.5 | Confident | 101 Ų | 101 | 45 Ų | 45 | 54% | 0.54 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.7 | -11.2 | -176.4 | -71 | -9.8 | 0 | 0 | 0 | 114.1 | M852 Y853 M854 | M852-N856 VanDerWaalsContact O-CB 3.24Å; M852-N856 WeakPolarHBondContact O-CB 3.22Å; M852-N856 PolarHBondContact O-N 2.72Å; M852-N856 PolarHBondContact O-ND2 3.36Å; M852-N856 PolarHBondContact O-OD1 2.86Å; Y853-N856 PolarHBondContact O-N 3.33Å; Y853-N856 VanDerWaalsContact O-N 3.14Å; M854-N856 PolarHBondContact O-N 3.49Å |
| 857 | N | 81 | Confident | 84.4 | Confident | 57 Ų | 57 | 49 Ų | 49 | 31% | 0.305 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 17.4 | 175.3 | -62.3 | -100.7 | 0 | 0 | 0 | 111.7 | Y853 M854 K855 L859 | Y853-N857 WeakPolarHBondContact CD2-ND2 3.48Å; Y853-N857 WeakPolarHBondContact CE2-ND2 3.37Å; Y853-N857 PolarHBondContact O-N 2.68Å; Y853-N857 PolarHBondContact O-ND2 2.65Å; M854-N857 CarbonylContact O-C 3.58Å; M854-N857 PolarHBondContact O-N 2.94Å; K855-N857 PolarHBondContact O-N 3.45Å; N857-L859 HydrophobicContact CB-CD1 4.31Å; N857-L859 HydrophobicContact CB-CG 4.2Å; N857-L859 PolarHBondContact O-N 2.88Å |
| 858 | E | 80.6 | Confident | 84.4 | Confident | 140 Ų | 140 | 52.1 Ų | 52.1 | 65% | 0.654 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 29.4 | 176.3 | -53.3 | -171.2 | 167.5 | 0 | 0 | 114.7 | M854 K855 Y860 | M854-E858 PolarHBondContact O-N 3.47Å; M854-E858 VanDerWaalsContact O-N 3.15Å; K855-E858 PolarHBondContact O-N 3.2Å; K855-E858 VanDerWaalsContact O-N 3.16Å; E858-Y860 HydrophobicContact CB-CE2 3.79Å; E858-Y860 HydrophobicContact CG-CE2 4.5Å; E858-Y860 VanDerWaalsContact O-CD2 3.22Å; E858-Y860 WeakPolarHBondContact O-CD2 3.23Å; E858-Y860 WeakPolarHBondContact O-CE2 3.43Å; E858-Y860 PolarHBondContact O-N 3.37Å |
| 859 | L | 83.6 | Confident | 84.4 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | trans | -91.5 | 95.8 | 175.7 | -51.9 | 176.2 | 0 | 0 | 0 | 109.3 | Y853 M854 N857 Q864 V865 M868 | Y853-L859 HydrophobicContact CE1-CD1 4.09Å; M854-L859 HydrophobicContact CB-CB 4.29Å; M854-L859 WeakPolarHBondContact CB-O 3.14Å; M854-L859 HydrophobicContact CG-CB 4.43Å; M854-L859 PolarHBondContact O-N 2.83Å; N857-L859 HydrophobicContact CB-CD1 4.31Å; N857-L859 HydrophobicContact CB-CG 4.2Å; N857-L859 PolarHBondContact O-N 2.88Å; L859-Q864 HydrophobicContact CD2-CB 3.99Å; L859-V865 HydrophobicContact CB-CG2 3.93Å; L859-V865 HydrophobicContact CD1-CG2 4.07Å; L859-M868 HydrophobicContact CD1-CE 4.28Å; L859-M868 HydrophobicContact CD2-CE 4.1Å | ||
| 860 | Y | 79.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 49.1 Ų | 49.1 | 38% | 0.376 | 24% | 0.236 | S | C | . | . | trans | -98.3 | -26.1 | -175.3 | -55.8 | -68 | 0 | 0 | 0 | 113.5 | L811 F817 E858 | L811-Y860 HydrophobicContact CD2-CD1 4.35Å; F817-Y860 HydrophobicContact CD2-CD1 4.19Å; F817-Y860 AromaticContact CD2-CE1 3.76Å; F817-Y860 HydrophobicContact CD2-CE1 3.76Å; F817-Y860 HydrophobicContact CE1-CD1 4.34Å; F817-Y860 AromaticContact CE2-CD1 3.41Å; F817-Y860 HydrophobicContact CE2-CD1 3.41Å; F817-Y860 VanDerWaalsContact CE2-CD1 3.41Å; F817-Y860 AromaticContact CE2-CE1 3.35Å; F817-Y860 HydrophobicContact CE2-CE1 3.35Å; F817-Y860 HydrophobicContact CE2-CG 4.37Å; F817-Y860 AromaticContact CZ-CD1 3.5Å; F817-Y860 HydrophobicContact CZ-CD1 3.5Å; F817-Y860 VanDerWaalsContact CZ-CD1 3.5Å; F817-Y860 AromaticContact CZ-CE1 3.94Å; F817-Y860 HydrophobicContact CZ-CE1 3.94Å; F817-Y860 HydrophobicContact CZ-CG 4.36Å; E858-Y860 HydrophobicContact CB-CE2 3.79Å; E858-Y860 HydrophobicContact CG-CE2 4.5Å; E858-Y860 VanDerWaalsContact O-CD2 3.22Å; E858-Y860 WeakPolarHBondContact O-CD2 3.23Å; E858-Y860 WeakPolarHBondContact O-CE2 3.43Å; E858-Y860 PolarHBondContact O-N 3.37Å | ||
| 861 | D | 80.8 | Confident | 84.1 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 33% | 0.326 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -104.3 | 143.2 | 171.1 | -171.9 | -7.1 | 0 | 0 | 0 | 111 | K790 E863 Q864 V865 | K790-D861 IonicContact NZ-OD1 3.19Å; K790-D861 IonicContact NZ-OD2 2.7Å; K790-D861 PolarHBondContact NZ-OD2 2.96Å; D861-E863 PolarHBondContact O-N 3.02Å; D861-E863 PolarHBondContact OD1-N 2.97Å; D861-Q864 HydrophobicContact CB-CG 4.28Å; D861-Q864 WeakPolarHBondContact O-CB 3.31Å; D861-Q864 PolarHBondContact O-N 3.13Å; D861-V865 PolarHBondContact O-N 3.49Å |
| 862 | M | 82.7 | Confident | 83.7 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -25.9 | 169.9 | -61.4 | -61.7 | -87.1 | 0 | 0 | 112.3 | L795 V808 P810 M854 V865 Y866 | L795-M862 HydrophobicContact CB-CE 3.53Å; L795-M862 HydrophobicContact CD2-CE 3.85Å; L795-M862 HydrophobicContact CG-CE 4.36Å; V808-M862 WeakPolarHBondContact O-CE 3.35Å; P810-M862 HydrophobicContact CB-CG 3.91Å; P810-M862 HydrophobicContact CB-SD 4.38Å; P810-M862 HydrophobicContact CG-CG 3.85Å; M854-M862 HydrophobicContact CE-SD 3.61Å; M854-M862 HydrophobicContact SD-SD 4.43Å; M862-V865 PolarHBondContact O-N 3.28Å; M862-Y866 WeakPolarHBondContact O-CB 3.33Å; M862-Y866 PolarHBondContact O-N 2.96Å |
| 863 | E | 85.4 | Confident | 83.1 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.8 | -34 | 172.9 | -169.5 | 143.5 | -115.5 | 0 | 0 | 112.9 | K790 R793 D861 Y866 N867 | K790-E863 WeakPolarHBondContact CE-OE2 3.43Å; K790-E863 IonicContact NZ-OE2 2.73Å; K790-E863 PolarHBondContact NZ-OE2 3.18Å; R793-E863 IonicContact NH1-OE1 3.87Å; D861-E863 PolarHBondContact O-N 3.02Å; D861-E863 PolarHBondContact OD1-N 2.97Å; E863-Y866 PolarHBondContact O-N 3.23Å; E863-N867 WeakPolarHBondContact O-CB 3.47Å; E863-N867 PolarHBondContact O-N 2.76Å; E863-N867 PolarHBondContact O-ND2 3.45Å |
| 864 | Q | 85.9 | Confident | 82.5 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 172.7 | -62.2 | 171.6 | -53.3 | 0 | 0 | 110.5 | L859 D861 N867 M868 | L859-Q864 HydrophobicContact CD2-CB 3.99Å; D861-Q864 HydrophobicContact CB-CG 4.28Å; D861-Q864 WeakPolarHBondContact O-CB 3.31Å; D861-Q864 PolarHBondContact O-N 3.13Å; Q864-N867 PolarHBondContact O-N 3.02Å; Q864-M868 WeakPolarHBondContact O-CB 3.42Å; Q864-M868 PolarHBondContact O-N 2.98Å |
| 865 | V | 85.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 173.5 | -175 | 0 | 0 | 0 | 0 | 112 | F759 L795 M850 M854 L859 D861 M862 M868 W869 | F759-V865 HydrophobicContact CE2-CG1 4.24Å; F759-V865 HydrophobicContact CZ-CB 4.35Å; F759-V865 HydrophobicContact CZ-CG1 4.13Å; L795-V865 HydrophobicContact CD2-CG1 4.08Å; M850-V865 HydrophobicContact CE-CG1 3.7Å; M854-V865 HydrophobicContact CE-CG2 3.62Å; M854-V865 HydrophobicContact CG-CG2 3.79Å; M854-V865 HydrophobicContact SD-CG2 4.03Å; L859-V865 HydrophobicContact CB-CG2 3.93Å; L859-V865 HydrophobicContact CD1-CG2 4.07Å; D861-V865 PolarHBondContact O-N 3.49Å; M862-V865 PolarHBondContact O-N 3.28Å; V865-M868 PolarHBondContact O-N 2.87Å; V865-W869 WeakPolarHBondContact O-CB 3.39Å; V865-W869 PolarHBondContact O-N 3.37Å |
| 866 | Y | 85.6 | Confident | 80.3 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.6 | -178 | -104.8 | 0 | 0 | 0 | 111.9 | F759 W788 M862 E863 W869 L870 | F759-Y866 HydrophobicContact CB-CD2 4.19Å; F759-Y866 HydrophobicContact CB-CE2 4.23Å; F759-Y866 AromaticContact CD1-CD2 3.83Å; F759-Y866 HydrophobicContact CD1-CD2 3.83Å; F759-Y866 AromaticContact CD2-CD2 3.78Å; F759-Y866 HydrophobicContact CD2-CD2 3.78Å; F759-Y866 HydrophobicContact CE1-CD2 4.07Å; F759-Y866 HydrophobicContact CE2-CD2 4.04Å; F759-Y866 AromaticContact CG-CD2 3.66Å; F759-Y866 HydrophobicContact CG-CD2 3.66Å; F759-Y866 HydrophobicContact CG-CE2 4.19Å; F759-Y866 HydrophobicContact CZ-CD2 4.17Å; W788-Y866 AromaticContact NE1-CE2 3.86Å; W788-Y866 AromaticContact NE1-CZ 3.69Å; W788-Y866 PolarHBondContact NE1-OH 3.16Å; M862-Y866 WeakPolarHBondContact O-CB 3.33Å; M862-Y866 PolarHBondContact O-N 2.96Å; E863-Y866 PolarHBondContact O-N 3.23Å; Y866-W869 HydrophobicContact CD2-CE3 4.17Å; Y866-W869 HydrophobicContact CE2-CE3 4.06Å; Y866-W869 AromaticContact CE2-CZ3 3.96Å; Y866-W869 HydrophobicContact CE2-CZ3 3.96Å; Y866-W869 PolarHBondContact O-N 2.91Å; Y866-L870 HydrophobicContact CD1-CD1 4.01Å; Y866-L870 HydrophobicContact CE1-CD1 3.49Å; Y866-L870 VanDerWaalsContact CE1-CD1 3.49Å; Y866-L870 HydrophobicContact CE1-CG 4.19Å; Y866-L870 WeakPolarHBondContact O-CG 3.34Å; Y866-L870 PolarHBondContact O-N 3.34Å |
| 867 | N | 85.8 | Confident | 78.9 | Confident | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 176.9 | -66.4 | -22.1 | 0 | 0 | 0 | 111.8 | E863 Q864 L870 A871 | E863-N867 WeakPolarHBondContact O-CB 3.47Å; E863-N867 PolarHBondContact O-N 2.76Å; E863-N867 PolarHBondContact O-ND2 3.45Å; Q864-N867 PolarHBondContact O-N 3.02Å; N867-L870 PolarHBondContact O-N 2.96Å; N867-A871 PolarHBondContact O-N 2.98Å |
| 868 | M | 86.9 | Confident | 77.4 | Confident | 68 Ų | 68 | 72 Ų | 72 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 170.6 | -175.2 | 71.1 | 76.5 | 0 | 0 | 111.7 | L859 Q864 V865 A871 L872 | L859-M868 HydrophobicContact CD1-CE 4.28Å; L859-M868 HydrophobicContact CD2-CE 4.1Å; Q864-M868 WeakPolarHBondContact O-CB 3.42Å; Q864-M868 PolarHBondContact O-N 2.98Å; V865-M868 PolarHBondContact O-N 2.87Å; M868-A871 PolarHBondContact O-N 3.48Å; M868-L872 HydrophobicContact CG-CD1 4.13Å; M868-L872 WeakPolarHBondContact O-CG 3.2Å; M868-L872 PolarHBondContact O-N 3.1Å |
| 869 | W | 87.3 | Confident | 75.6 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.4 | 174.2 | 78.9 | 0 | 0 | 0 | 112.4 | M757 F759 P773 V865 Y866 L872 A873 | M757-W869 PolarHBondContact O-NE1 3.25Å; F759-W869 HydrophobicContact CB-CE3 4.33Å; F759-W869 HydrophobicContact CB-CH2 4.43Å; F759-W869 HydrophobicContact CB-CZ3 4.24Å; F759-W869 HydrophobicContact CD2-CB 4Å; F759-W869 AromaticContact CD2-CD2 3.7Å; F759-W869 HydrophobicContact CD2-CD2 3.7Å; F759-W869 AromaticContact CD2-CE3 3.8Å; F759-W869 HydrophobicContact CD2-CE3 3.8Å; F759-W869 AromaticContact CD2-CG 3.77Å; F759-W869 HydrophobicContact CD2-CG 3.77Å; F759-W869 HydrophobicContact CE2-CB 3.85Å; F759-W869 HydrophobicContact CE2-CD2 4.46Å; F759-W869 HydrophobicContact CE2-CG 4.13Å; F759-W869 HydrophobicContact CG-CE3 4.44Å; P773-W869 HydrophobicContact CG-CH2 4.14Å; V865-W869 WeakPolarHBondContact O-CB 3.39Å; V865-W869 PolarHBondContact O-N 3.37Å; Y866-W869 HydrophobicContact CD2-CE3 4.17Å; Y866-W869 HydrophobicContact CE2-CE3 4.06Å; Y866-W869 AromaticContact CE2-CZ3 3.96Å; Y866-W869 HydrophobicContact CE2-CZ3 3.96Å; Y866-W869 PolarHBondContact O-N 2.91Å; W869-L872 PolarHBondContact O-N 2.98Å; W869-A873 VanDerWaalsContact O-CB 3.28Å; W869-A873 WeakPolarHBondContact O-CB 3.38Å; W869-A873 PolarHBondContact O-N 3.08Å |
| 870 | L | 84.6 | Confident | 73.2 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 173.9 | -75.2 | 177.9 | 0 | 0 | 0 | 112.2 | L777 Y866 N867 A873 A874 | L777-L870 HydrophobicContact CD1-CD1 4.19Å; L777-L870 HydrophobicContact CD1-CD2 4.13Å; L777-L870 HydrophobicContact CD2-CD2 4.47Å; Y866-L870 HydrophobicContact CD1-CD1 4.01Å; Y866-L870 HydrophobicContact CE1-CD1 3.49Å; Y866-L870 VanDerWaalsContact CE1-CD1 3.49Å; Y866-L870 HydrophobicContact CE1-CG 4.19Å; Y866-L870 WeakPolarHBondContact O-CG 3.34Å; Y866-L870 PolarHBondContact O-N 3.34Å; N867-L870 PolarHBondContact O-N 2.96Å; L870-A873 PolarHBondContact O-N 2.93Å; L870-A874 WeakPolarHBondContact O-CB 3.13Å; L870-A874 PolarHBondContact O-N 2.93Å |
| 871 | A | 81.8 | Confident | 71.2 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | N867 M868 A874 Q875 | N867-A871 PolarHBondContact O-N 2.98Å; M868-A871 PolarHBondContact O-N 3.48Å; A871-A874 PolarHBondContact O-N 2.75Å; A871-Q875 WeakPolarHBondContact O-CG 3.38Å; A871-Q875 PolarHBondContact O-N 2.69Å |
| 872 | L | 79.6 | Confident | 68.9 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 175.2 | -68.1 | 167 | 0 | 0 | 0 | 112 | M757 M868 W869 A874 Q875 N876 | M757-L872 HydrophobicContact CE-CD1 3.45Å; M757-L872 VanDerWaalsContact CE-CD1 3.45Å; M868-L872 HydrophobicContact CG-CD1 4.13Å; M868-L872 WeakPolarHBondContact O-CG 3.2Å; M868-L872 PolarHBondContact O-N 3.1Å; W869-L872 PolarHBondContact O-N 2.98Å; L872-A874 VanDerWaalsContact C-N 3.32Å; L872-A874 PolarHBondContact O-N 3.1Å; L872-Q875 PolarHBondContact O-N 2.8Å; L872-N876 PolarHBondContact O-N 2.84Å; L872-N876 VanDerWaalsContact O-N 3.14Å; L872-N876 PolarHBondContact O-ND2 3.15Å |
| 873 | A | 73.7 | Confident | 66.5 | Low | 31 Ų | 31 | 81.5 Ų | 81.5 | 26% | 0.256 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.7 | -28.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W869 L870 R877 | W869-A873 VanDerWaalsContact O-CB 3.28Å; W869-A873 WeakPolarHBondContact O-CB 3.38Å; W869-A873 PolarHBondContact O-N 3.08Å; L870-A873 PolarHBondContact O-N 2.93Å; A873-R877 WeakPolarHBondContact O-CG 3.35Å |
| 874 | A | 71.9 | Confident | 63.7 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.8 | -43.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | L870 A871 L872 N876 R877 Q878 | L870-A874 WeakPolarHBondContact O-CB 3.13Å; L870-A874 PolarHBondContact O-N 2.93Å; A871-A874 PolarHBondContact O-N 2.75Å; L872-A874 VanDerWaalsContact C-N 3.32Å; L872-A874 PolarHBondContact O-N 3.1Å; A874-N876 PolarHBondContact O-N 2.77Å; A874-R877 WeakPolarHBondContact O-CB 3.4Å; A874-R877 PolarHBondContact O-N 2.86Å; A874-R877 VanDerWaalsContact O-N 3.11Å; A874-Q878 PolarHBondContact O-N 2.86Å |
| 875 | Q | 64.4 | Low | 61 | Low | 115 Ų | 115 | 85.7 Ų | 85.7 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 177.5 | -71.9 | 168.5 | 8.7 | 0 | 0 | 112 | A871 L872 R877 Q878 S879 | A871-Q875 WeakPolarHBondContact O-CG 3.38Å; A871-Q875 PolarHBondContact O-N 2.69Å; L872-Q875 PolarHBondContact O-N 2.8Å; Q875-R877 PolarHBondContact O-N 3.33Å; Q875-Q878 WeakPolarHBondContact O-CB 3.38Å; Q875-Q878 PolarHBondContact O-N 2.94Å; Q875-S879 PolarHBondContact O-N 2.83Å |
| 876 | N | 57.4 | Low | 58.3 | Low | 103 Ų | 103 | 93.7 Ų | 93.7 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -24.6 | 176.8 | -74.1 | -69.1 | 0 | 0 | 0 | 113.5 | L872 A874 Q878 S879 | L872-N876 PolarHBondContact O-N 2.84Å; L872-N876 VanDerWaalsContact O-N 3.14Å; L872-N876 PolarHBondContact O-ND2 3.15Å; A874-N876 PolarHBondContact O-N 2.77Å; N876-Q878 VanDerWaalsContact C-N 3.32Å; N876-S879 PolarHBondContact O-OG 2.65Å |
| 877 | R | 53.1 | Low | 55.5 | Low | 207 Ų | 207 | 98.1 Ų | 98.1 | 78% | 0.781 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -79.2 | -12.9 | 173.9 | -70.7 | 173.5 | -173.2 | -108.2 | 3.9 | 113.6 | A873 A874 Q875 | A873-R877 WeakPolarHBondContact O-CG 3.35Å; A874-R877 WeakPolarHBondContact O-CB 3.4Å; A874-R877 PolarHBondContact O-N 2.86Å; A874-R877 VanDerWaalsContact O-N 3.11Å; Q875-R877 PolarHBondContact O-N 3.33Å |
| 878 | Q | 48.2 | Very low | 53.1 | Low | 158 Ų | 158 | 100.7 Ų | 100.7 | 74% | 0.738 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -90 | -23 | 176.2 | -68 | 176.4 | -21 | 0 | 0 | 112.1 | A874 Q875 N876 | A874-Q878 PolarHBondContact O-N 2.86Å; Q875-Q878 WeakPolarHBondContact O-CB 3.38Å; Q875-Q878 PolarHBondContact O-N 2.94Å; N876-Q878 VanDerWaalsContact C-N 3.32Å |
| 879 | S | 42.8 | Very low | 50.8 | Low | 88 Ų | 88 | 102.9 Ų | 102.9 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -78.8 | -30.5 | 177.7 | 42.1 | 0 | 0 | 0 | 0 | 114.7 | Q875 N876 G881 | Q875-S879 PolarHBondContact O-N 2.83Å; N876-S879 PolarHBondContact O-OG 2.65Å; S879-G881 PolarHBondContact O-N 2.78Å |
| 880 | D | 34.9 | Very low | 48.6 | Very low | 148 Ų | 148 | 109.9 Ų | 109.9 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 9.7 | 174.5 | -73.7 | -27.1 | 0 | 0 | 0 | 113 | S882 | D880-S882 VanDerWaalsContact C-N 3.29Å; D880-S882 PolarHBondContact O-N 2.97Å |
| 881 | G | 35.8 | Very low | 46.1 | Very low | 67 Ų | 67 | 114.8 Ų | 114.8 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | trans | -79.2 | 51 | -173 | 0 | 0 | 0 | 0 | 0 | 115.7 | S879 | S879-G881 PolarHBondContact O-N 2.78Š| ||
| 882 | S | 32.6 | Very low | 43.7 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | trans | -150.6 | 141.3 | 172.8 | -161.9 | 0 | 0 | 0 | 0 | 114.3 | D880 | D880-S882 VanDerWaalsContact C-N 3.29Å; D880-S882 PolarHBondContact O-N 2.97Å | ||
| 883 | V | 32.2 | Very low | 41.4 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 81% | 0.806 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 76.2 | 84.3 | 174.2 | -163.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 884 | C | 27.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 134 Ų | 134 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | trans | 74.2 | 120 | 132 | -140.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 885 | N | 28.7 | Very low | 37.2 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 27.5 | 149.3 | 131.1 | -52 | -18.5 | 0 | 0 | 0 | 120.7 | ||||
| 886 | Q | 30.6 | Very low | 35.5 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | cis | -164.2 | 163.9 | 30.4 | -150.5 | 161.7 | 20.3 | 0 | 0 | 113.1 | ||||
| 887 | S | 26.6 | Very low | 34.6 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 53.8 | 126.8 | 155.3 | 52.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 888 | N | 34.8 | Very low | 34 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -74.1 | 154.8 | 153.2 | -155.5 | 45 | 0 | 0 | 0 | 109.3 | ||||
| 889 | P | 39.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | -145.2 | -173.7 | 92.8 | 40.8 | -25.1 | 0 | 0 | 0 | 114.7 | |||||
| 890 | E | 40.4 | Very low | 33 | Very low | 176 Ų | 176 | 136.5 Ų | 136.5 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -68.3 | 147 | 178.8 | -50.7 | 164 | 134.3 | 0 | 0 | 112.7 | ||||
| 891 | E | 31.4 | Very low | 33 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | -161.2 | 132.3 | 132.6 | -114.4 | -172.8 | 156.4 | 0 | 0 | 115.1 | ||||
| 892 | K | 31.9 | Very low | 33.1 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 28.3 | 110 | 145.6 | -62 | 158.7 | -167.8 | 162.3 | 0 | 118.8 | I894 | K892-I894 PolarHBondContact O-N 3.25Š| ||
| 893 | F | 30.4 | Very low | 33.5 | Very low | 216 Ų | 216 | 142.3 Ų | 142.3 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127 | 150.2 | -84.5 | -93.4 | 0 | 0 | 0 | 109.8 | ||
| 894 | I | 29.4 | Very low | 33.7 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 122.9 | 165.3 | -61.8 | 175.2 | 0 | 0 | 0 | 107.3 | K892 | K892-I894 PolarHBondContact O-N 3.25Š|
| 895 | A | 29.9 | Very low | 34.9 | Very low | 77 Ų | 77 | 145 Ų | 145 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 139.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 896 | M | 28.3 | Very low | 36 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 66% | 0.655 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -97 | 136.1 | 168.1 | -73.5 | -64.7 | -66.3 | 0 | 0 | 108.4 | T898 D899 | M896-T898 PolarHBondContact O-N 3.37Å; M896-D899 PolarHBondContact O-N 2.92Å |
| 897 | P | 38.2 | Very low | 37.9 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 25.8 | -171.4 | -25.9 | 36.7 | 0 | 0 | 0 | 118.6 | ||
| 898 | T | 39.2 | Very low | 40.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 6.3 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | M896 F900 A901 | M896-T898 PolarHBondContact O-N 3.37Å; T898-F900 PolarHBondContact O-N 2.94Å; T898-A901 PolarHBondContact O-N 2.83Å |
| 899 | D | 32.5 | Very low | 42.2 | Very low | 120 Ų | 120 | 127 Ų | 127 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 21.9 | 175.9 | -70.4 | -39.8 | 0 | 0 | 0 | 113.9 | M896 | M896-D899 PolarHBondContact O-N 2.92Š|
| 900 | F | 39.3 | Very low | 43.7 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 89% | 0.886 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 38.2 | 172.3 | -74.1 | -76.3 | 0 | 0 | 0 | 112 | T898 | T898-F900 PolarHBondContact O-N 2.94Š|
| 901 | A | 34.4 | Very low | 45.3 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | trans | -89 | 118 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | T898 | T898-A901 PolarHBondContact O-N 2.83Š| ||
| 902 | E | 38.3 | Very low | 47.4 | Very low | 160 Ų | 160 | 121 Ų | 121 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | trans | -71 | 170.4 | -167.2 | -62.7 | 168.2 | 127 | 0 | 0 | 113.8 | M904 | E902-M904 VanDerWaalsContact C-N 3.26Å; E902-M904 PolarHBondContact O-N 2.79Å | ||
| 903 | Q | 40.7 | Very low | 49.5 | Very low | 191 Ų | 191 | 116 Ų | 116 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | trans | -68.7 | 82.6 | 168.8 | -68.2 | -179.6 | -98.7 | 0 | 0 | 110.4 | D905 | Q903-D905 PolarHBondContact O-N 3.45Š| ||
| 904 | M | 36.2 | Very low | 51.7 | Low | 143 Ų | 143 | 111.1 Ų | 111.1 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | trans | -77.6 | 107.3 | 169.1 | -76.8 | -79.4 | 167.7 | 0 | 0 | 109.7 | E902 G906 | E902-M904 VanDerWaalsContact C-N 3.26Å; E902-M904 PolarHBondContact O-N 2.79Å; M904-G906 PolarHBondContact O-N 2.95Å | ||
| 905 | D | 52.2 | Low | 53.7 | Low | 149 Ų | 149 | 109.5 Ų | 109.5 | 80% | 0.797 | 59% | 0.59 | S | S | * | * | trans | -65.4 | 94.9 | 172.2 | -80 | -54.1 | 0 | 0 | 0 | 110.3 | Q903 F907 | Q903-D905 PolarHBondContact O-N 3.45Å; D905-F907 PolarHBondContact O-N 2.86Å; D905-F907 VanDerWaalsContact O-N 3.12Å | ||
| 906 | G | 51.7 | Low | 55.9 | Low | 43 Ų | 43 | 106.3 Ų | 106.3 | 44% | 0.443 | 56% | 0.563 | S | S | . | * | trans | -61.4 | 111.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | M904 H908 | M904-G906 PolarHBondContact O-N 2.95Å; G906-H908 VanDerWaalsContact C-N 3.35Å; G906-H908 WeakPolarHBondContact O-CB 3.28Å; G906-H908 PolarHBondContact O-N 3.17Å | ||
| 907 | F | 71.3 | Confident | 57.7 | Low | 43 Ų | 43 | 106.2 Ų | 106.2 | 19% | 0.189 | 57% | 0.565 | C | S | . | * | trans | -38.5 | 76.5 | -179.3 | -52.9 | -66.4 | 0 | 0 | 0 | 116.8 | D905 S916 E919 W922 | D905-F907 PolarHBondContact O-N 2.86Å; D905-F907 VanDerWaalsContact O-N 3.12Å; F907-S916 PolarHBondContact O-N 3.22Å; F907-E919 HydrophobicContact CE1-CB 4.28Å; F907-E919 WeakPolarHBondContact CE1-OE2 3.24Å; F907-E919 HydrophobicContact CE2-CB 4.29Å; F907-E919 VanDerWaalsContact CE2-N 3.27Å; F907-E919 HydrophobicContact CZ-CB 3.73Å; F907-E919 HydrophobicContact CZ-CG 4.47Å; F907-E919 WeakPolarHBondContact CZ-OE2 3.47Å; F907-W922 HydrophobicContact CB-CB 3.78Å; F907-W922 HydrophobicContact CB-CD2 3.8Å; F907-W922 HydrophobicContact CB-CE3 3.69Å; F907-W922 HydrophobicContact CB-CG 3.86Å; F907-W922 HydrophobicContact CB-CZ3 4.49Å; F907-W922 HydrophobicContact CD1-CB 3.46Å; F907-W922 VanDerWaalsContact CD1-CB 3.46Å; F907-W922 AromaticContact CD1-CD1 3.54Å; F907-W922 AromaticContact CD1-CD2 3.96Å; F907-W922 HydrophobicContact CD1-CD2 3.96Å; F907-W922 AromaticContact CD1-CG 3.36Å; F907-W922 HydrophobicContact CD1-CG 3.36Å; F907-W922 HydrophobicContact CE1-CB 4.18Å; F907-W922 HydrophobicContact CE1-CG 4.21Å; F907-W922 HydrophobicContact CG-CB 3.65Å; F907-W922 HydrophobicContact CG-CD2 4.31Å; F907-W922 AromaticContact CG-CG 3.89Å; F907-W922 HydrophobicContact CG-CG 3.89Å | ||
| 908 | H | 72.5 | Confident | 59.5 | Low | 93 Ų | 93 | 102.5 Ų | 102.5 | 43% | 0.431 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.4 | -175.9 | 174.7 | 46 | 0 | 0 | 0 | 112.5 | G906 R910 K914 | G906-H908 VanDerWaalsContact C-N 3.35Å; G906-H908 WeakPolarHBondContact O-CB 3.28Å; G906-H908 PolarHBondContact O-N 3.17Å; H908-R910 PolarHBondContact O-N 2.91Å; H908-K914 WeakPolarHBondContact CA-O 3.13Å; H908-K914 PolarHBondContact ND1-O 3.19Å |
| 909 | C | 78.9 | Confident | 61.3 | Low | 0 Ų | 0 | 100.9 Ų | 100.9 | 0% | 0 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.6 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | L911 C912 G913 K914 W922 H925 H931 | C909-L911 VanDerWaalsContact C-N 3.34Å; C909-L911 PolarHBondContact O-N 3.22Å; C909-C912 HydrophobicContact CB-CB 4.27Å; C909-C912 PolarHBondContact SG-N 3.46Å; C909-G913 WeakPolarHBondContact O-CA 3.16Å; C909-G913 PolarHBondContact O-N 2.86Å; C909-K914 PolarHBondContact N-O 2.89Å; C909-W922 HydrophobicContact CB-CH2 3.8Å; C909-W922 HydrophobicContact CB-CZ3 3.67Å; C909-H925 WeakPolarHBondContact CB-NE2 3.45Å; C909-H931 PolarHBondContact SG-CE1 3.33Å |
| 910 | R | 71.3 | Confident | 63.5 | Low | 208 Ų | 208 | 104.5 Ų | 104.5 | 79% | 0.785 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -35.2 | 177 | -55.2 | -173.4 | -162.9 | 171.3 | 10.3 | 112.6 | H908 | H908-R910 PolarHBondContact O-N 2.91Š|
| 911 | L | 72.8 | Confident | 65.4 | Low | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -39.2 | 179.6 | -62.5 | 179.4 | 0 | 0 | 0 | 113.2 | C909 V935 L1004 | C909-L911 VanDerWaalsContact C-N 3.34Å; C909-L911 PolarHBondContact O-N 3.22Å; L911-V935 HydrophobicContact CD1-CB 4.47Å; L911-V935 HydrophobicContact CD1-CG2 3.81Å; L911-L1004 HydrophobicContact CD1-CD1 3.86Å; L911-L1004 HydrophobicContact CG-CD1 4.07Å |
| 912 | C | 76.7 | Confident | 67.6 | Low | 22 Ų | 22 | 96.4 Ų | 96.4 | 15% | 0.149 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -8 | -178.1 | -77.4 | 0 | 0 | 0 | 0 | 114.4 | C909 K914 H925 H931 R934 | C909-C912 HydrophobicContact CB-CB 4.27Å; C909-C912 PolarHBondContact SG-N 3.46Å; C912-K914 HydrophobicContact CB-CG 4.29Å; C912-K914 PolarHBondContact O-N 3.14Å; C912-H925 VanDerWaalsContact CB-CE1 3.46Å; C912-H925 WeakPolarHBondContact CB-CE1 3.2Å; C912-H931 PolarHBondContact SG-ND1 3.17Å; C912-R934 WeakPolarHBondContact SG-CD 3.47Å; C912-R934 PolarHBondContact SG-NH1 3.28Å; C912-R934 VanDerWaalsContact SG-NH1 3.45Å |
| 913 | G | 75.1 | Confident | 69.7 | Low | 61 Ų | 61 | 92.3 Ų | 92.3 | 63% | 0.629 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 11.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C909 | C909-G913 WeakPolarHBondContact O-CA 3.16Å; C909-G913 PolarHBondContact O-N 2.86Å |
| 914 | K | 75.9 | Confident | 71.6 | Confident | 113 Ų | 113 | 89.8 Ų | 89.8 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 152.2 | -178 | -64.3 | -173 | -177.9 | 175.2 | 0 | 111.6 | H908 C909 C912 | H908-K914 WeakPolarHBondContact CA-O 3.13Å; H908-K914 PolarHBondContact ND1-O 3.19Å; C909-K914 PolarHBondContact N-O 2.89Å; C912-K914 HydrophobicContact CB-CG 4.29Å; C912-K914 PolarHBondContact O-N 3.14Å |
| 915 | H | 71.5 | Confident | 73.9 | Confident | 117 Ų | 117 | 83.5 Ų | 83.5 | 54% | 0.542 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.1 | 165.6 | -166.5 | -76.2 | 0 | 0 | 0 | 107.4 | N917 | H915-N917 PolarHBondContact ND1-OD1 3.21Å; H915-N917 VanDerWaalsContact ND1-OD1 3.1Å |
| 916 | S | 77.4 | Confident | 75.4 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | trans | -104.6 | 146.4 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 108.9 | F907 Q921 | F907-S916 PolarHBondContact O-N 3.22Å; S916-Q921 PolarHBondContact OG-O 2.96Å | ||
| 917 | N | 65.4 | Low | 76.7 | Confident | 131 Ų | 131 | 76.8 Ų | 76.8 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -107 | 14.7 | -172.4 | -60.5 | -10.2 | 0 | 0 | 0 | 112 | H915 | H915-N917 PolarHBondContact ND1-OD1 3.21Å; H915-N917 VanDerWaalsContact ND1-OD1 3.1Å |
| 918 | S | 76.8 | Confident | 77.3 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -164.2 | 147.6 | 179.9 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | R920 Q921 W922 | S918-R920 PolarHBondContact O-N 2.86Å; S918-R920 PolarHBondContact OG-N 2.72Å; S918-Q921 WeakPolarHBondContact O-CA 3.34Å; S918-Q921 WeakPolarHBondContact O-CB 3.37Å; S918-Q921 PolarHBondContact O-N 3.28Å; S918-W922 PolarHBondContact O-N 3.42Å |
| 919 | E | 77.1 | Confident | 77.6 | Confident | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.379 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -50 | -43.5 | 170.4 | -179.8 | 63.3 | -116.2 | 0 | 0 | 111.8 | F907 Q921 W922 Q923 | F907-E919 HydrophobicContact CE1-CB 4.28Å; F907-E919 WeakPolarHBondContact CE1-OE2 3.24Å; F907-E919 HydrophobicContact CE2-CB 4.29Å; F907-E919 VanDerWaalsContact CE2-N 3.27Å; F907-E919 HydrophobicContact CZ-CB 3.73Å; F907-E919 HydrophobicContact CZ-CG 4.47Å; F907-E919 WeakPolarHBondContact CZ-OE2 3.47Å; E919-Q921 VanDerWaalsContact C-N 3.29Å; E919-Q921 PolarHBondContact O-N 3.21Å; E919-W922 WeakPolarHBondContact O-CB 3.21Å; E919-W922 PolarHBondContact O-N 2.85Å; E919-W922 VanDerWaalsContact O-N 3.08Å; E919-Q923 VanDerWaalsContact CG-NE2 3.35Å; E919-Q923 WeakPolarHBondContact O-CG 3.46Å; E919-Q923 PolarHBondContact O-N 2.86Å; E919-Q923 WeakPolarHBondContact OE1-CG 3.41Å; E919-Q923 PolarHBondContact OE1-NE2 3.39Å |
| 920 | R | 78.1 | Confident | 77.7 | Confident | 195 Ų | 195 | 86.3 Ų | 86.3 | 74% | 0.736 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.7 | -34.9 | 178.3 | -67.1 | -178 | 179.6 | 170.9 | -0.2 | 112.5 | S918 Q924 | S918-R920 PolarHBondContact O-N 2.86Å; S918-R920 PolarHBondContact OG-N 2.72Å; R920-Q924 WeakPolarHBondContact O-CB 3.38Å; R920-Q924 WeakPolarHBondContact O-CG 3.17Å; R920-Q924 PolarHBondContact O-N 3.39Å; R920-Q924 VanDerWaalsContact O-N 3.07Å |
| 921 | Q | 78.3 | Confident | 78.2 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.2 | -30 | 175.3 | -68.4 | 177.5 | -9.7 | 0 | 0 | 111.9 | S916 S918 E919 H925 | S916-Q921 PolarHBondContact OG-O 2.96Å; S918-Q921 WeakPolarHBondContact O-CA 3.34Å; S918-Q921 WeakPolarHBondContact O-CB 3.37Å; S918-Q921 PolarHBondContact O-N 3.28Å; E919-Q921 VanDerWaalsContact C-N 3.29Å; E919-Q921 PolarHBondContact O-N 3.21Å; Q921-H925 WeakPolarHBondContact O-CB 3.37Å; Q921-H925 PolarHBondContact O-N 2.75Å |
| 922 | W | 82.1 | Confident | 78.7 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 11% | 0.106 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.5 | -52 | 172.6 | -178 | -120.9 | 0 | 0 | 0 | 111.2 | F907 C909 S918 E919 Q924 H925 I926 L1004 | F907-W922 HydrophobicContact CB-CB 3.78Å; F907-W922 HydrophobicContact CB-CD2 3.8Å; F907-W922 HydrophobicContact CB-CE3 3.69Å; F907-W922 HydrophobicContact CB-CG 3.86Å; F907-W922 HydrophobicContact CB-CZ3 4.49Å; F907-W922 HydrophobicContact CD1-CB 3.46Å; F907-W922 VanDerWaalsContact CD1-CB 3.46Å; F907-W922 AromaticContact CD1-CD1 3.54Å; F907-W922 AromaticContact CD1-CD2 3.96Å; F907-W922 HydrophobicContact CD1-CD2 3.96Å; F907-W922 AromaticContact CD1-CG 3.36Å; F907-W922 HydrophobicContact CD1-CG 3.36Å; F907-W922 HydrophobicContact CE1-CB 4.18Å; F907-W922 HydrophobicContact CE1-CG 4.21Å; F907-W922 HydrophobicContact CG-CB 3.65Å; F907-W922 HydrophobicContact CG-CD2 4.31Å; F907-W922 AromaticContact CG-CG 3.89Å; F907-W922 HydrophobicContact CG-CG 3.89Å; C909-W922 HydrophobicContact CB-CH2 3.8Å; C909-W922 HydrophobicContact CB-CZ3 3.67Å; S918-W922 PolarHBondContact O-N 3.42Å; E919-W922 WeakPolarHBondContact O-CB 3.21Å; E919-W922 PolarHBondContact O-N 2.85Å; E919-W922 VanDerWaalsContact O-N 3.08Å; W922-Q924 VanDerWaalsContact C-N 3.35Å; W922-Q924 PolarHBondContact O-N 2.7Å; W922-H925 WeakPolarHBondContact O-CA 3.34Å; W922-H925 WeakPolarHBondContact O-CB 3.45Å; W922-H925 PolarHBondContact O-N 2.83Å; W922-I926 HydrophobicContact CD2-CG2 4.18Å; W922-I926 HydrophobicContact CE3-CG2 4.41Å; W922-I926 HydrophobicContact CH2-CG2 4.13Å; W922-I926 HydrophobicContact CZ2-CG2 3.86Å; W922-I926 HydrophobicContact CZ3-CG2 4.39Å; W922-I926 WeakPolarHBondContact O-CG1 3.16Å; W922-I926 PolarHBondContact O-N 2.9Å; W922-L1004 HydrophobicContact CH2-CD2 4.41Å |
| 923 | Q | 81 | Confident | 78.8 | Confident | 74 Ų | 74 | 74.2 Ų | 74.2 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 177.1 | -69.2 | 171.9 | 1.3 | 0 | 0 | 111.4 | E919 H925 I926 S927 M1006 | E919-Q923 VanDerWaalsContact CG-NE2 3.35Å; E919-Q923 WeakPolarHBondContact O-CG 3.46Å; E919-Q923 PolarHBondContact O-N 2.86Å; E919-Q923 WeakPolarHBondContact OE1-CG 3.41Å; E919-Q923 PolarHBondContact OE1-NE2 3.39Å; Q923-H925 VanDerWaalsContact C-N 3.27Å; Q923-H925 PolarHBondContact O-N 3.18Å; Q923-I926 PolarHBondContact O-N 2.87Å; Q923-S927 WeakPolarHBondContact O-CB 3.44Å; Q923-S927 PolarHBondContact O-N 3.08Å; Q923-S927 PolarHBondContact O-OG 3.01Å; Q923-M1006 HydrophobicContact CG-SD 4.35Å |
| 924 | Q | 81.1 | Confident | 79 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.5 | -28.2 | 172 | -76 | 175 | -9.4 | 0 | 0 | 113.9 | R920 W922 | R920-Q924 WeakPolarHBondContact O-CB 3.38Å; R920-Q924 WeakPolarHBondContact O-CG 3.17Å; R920-Q924 PolarHBondContact O-N 3.39Å; R920-Q924 VanDerWaalsContact O-N 3.07Å; W922-Q924 VanDerWaalsContact C-N 3.35Å; W922-Q924 PolarHBondContact O-N 2.7Å |
| 925 | H | 84.6 | Confident | 79.3 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 5% | 0.046 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.7 | -51.6 | 174.5 | 178 | -1.4 | 0 | 0 | 0 | 111.1 | C909 C912 Q921 W922 Q923 S928 H931 | C909-H925 WeakPolarHBondContact CB-NE2 3.45Å; C912-H925 VanDerWaalsContact CB-CE1 3.46Å; C912-H925 WeakPolarHBondContact CB-CE1 3.2Å; Q921-H925 WeakPolarHBondContact O-CB 3.37Å; Q921-H925 PolarHBondContact O-N 2.75Å; W922-H925 WeakPolarHBondContact O-CA 3.34Å; W922-H925 WeakPolarHBondContact O-CB 3.45Å; W922-H925 PolarHBondContact O-N 2.83Å; Q923-H925 VanDerWaalsContact C-N 3.27Å; Q923-H925 PolarHBondContact O-N 3.18Å; H925-S928 WeakPolarHBondContact O-CB 3.42Å; H925-S928 PolarHBondContact O-N 3.37Å; H925-S928 PolarHBondContact O-OG 2.82Å; H925-H931 AromaticContact CE1-CG 3.88Å; H925-H931 AromaticContact CE1-ND1 3.42Å; H925-H931 PolarHBondContact CE1-ND1 2.83Å; H925-H931 WeakPolarHBondContact O-CB 3.19Å |
| 926 | I | 84.3 | Confident | 79.6 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.6 | -31.5 | -173.2 | 63 | -173 | 0 | 0 | 0 | 112.7 | W922 Q923 S928 H931 M1006 | W922-I926 HydrophobicContact CD2-CG2 4.18Å; W922-I926 HydrophobicContact CE3-CG2 4.41Å; W922-I926 HydrophobicContact CH2-CG2 4.13Å; W922-I926 HydrophobicContact CZ2-CG2 3.86Å; W922-I926 HydrophobicContact CZ3-CG2 4.39Å; W922-I926 WeakPolarHBondContact O-CG1 3.16Å; W922-I926 PolarHBondContact O-N 2.9Å; Q923-I926 PolarHBondContact O-N 2.87Å; I926-S928 PolarHBondContact O-N 3.48Å; I926-H931 PolarHBondContact O-CD2 2.87Å; I926-H931 VanDerWaalsContact O-CD2 3.25Å; I926-M1006 HydrophobicContact CD1-CG 3.65Å; I926-M1006 HydrophobicContact CD1-SD 3.71Å; I926-M1006 HydrophobicContact CG1-CG 4.21Å |
| 927 | S | 79.4 | Confident | 79.4 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.8 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | Q923 E929 K932 E1009 | Q923-S927 WeakPolarHBondContact O-CB 3.44Å; Q923-S927 PolarHBondContact O-N 3.08Å; Q923-S927 PolarHBondContact O-OG 3.01Å; S927-E929 PolarHBondContact O-N 3.45Å; S927-K932 WeakPolarHBondContact O-CE 3.49Å; S927-K932 PolarHBondContact O-NZ 2.96Å; S927-E1009 WeakPolarHBondContact CA-OE1 3.43Å; S927-E1009 VanDerWaalsContact CB-OE1 3.3Å; S927-E1009 WeakPolarHBondContact CB-OE1 3.28Å |
| 928 | S | 82.9 | Confident | 79 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -67.6 | 133.5 | -176.8 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | H925 I926 K930 H931 K932 | H925-S928 WeakPolarHBondContact O-CB 3.42Å; H925-S928 PolarHBondContact O-N 3.37Å; H925-S928 PolarHBondContact O-OG 2.82Å; I926-S928 PolarHBondContact O-N 3.48Å; S928-K930 PolarHBondContact O-N 3.12Å; S928-H931 WeakPolarHBondContact O-CA 3.44Å; S928-H931 WeakPolarHBondContact O-CB 3.5Å; S928-H931 PolarHBondContact O-N 2.99Å; S928-K932 PolarHBondContact O-N 2.99Å; S928-K932 VanDerWaalsContact O-N 3.07Å |
| 929 | E | 79.2 | Confident | 77.7 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.1 | -40.7 | -179 | -171.1 | -174.8 | -163.1 | 0 | 0 | 112.6 | S927 H931 K932 D933 | S927-E929 PolarHBondContact O-N 3.45Å; E929-H931 PolarHBondContact O-N 3.49Å; E929-K932 PolarHBondContact O-N 3Å; E929-D933 WeakPolarHBondContact O-CB 3.38Å; E929-D933 PolarHBondContact O-N 3.42Å |
| 930 | K | 79.7 | Confident | 76.6 | Confident | 173 Ų | 173 | 72.8 Ų | 72.8 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.2 | -15.9 | 178.1 | -65.8 | 178.9 | -179.6 | 174.2 | 0 | 114.3 | S928 R934 | S928-K930 PolarHBondContact O-N 3.12Å; K930-R934 WeakPolarHBondContact O-CD 3.38Å |
| 931 | H | 83.1 | Confident | 75.3 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -89.1 | -46.5 | 168.6 | 171.5 | 82 | 0 | 0 | 0 | 110.6 | C909 C912 H925 I926 S928 E929 D933 R934 V935 L1004 | C909-H931 PolarHBondContact SG-CE1 3.33Å; C912-H931 PolarHBondContact SG-ND1 3.17Å; H925-H931 AromaticContact CE1-CG 3.88Å; H925-H931 AromaticContact CE1-ND1 3.42Å; H925-H931 PolarHBondContact CE1-ND1 2.83Å; H925-H931 WeakPolarHBondContact O-CB 3.19Å; I926-H931 PolarHBondContact O-CD2 2.87Å; I926-H931 VanDerWaalsContact O-CD2 3.25Å; S928-H931 WeakPolarHBondContact O-CA 3.44Å; S928-H931 WeakPolarHBondContact O-CB 3.5Å; S928-H931 PolarHBondContact O-N 2.99Å; E929-H931 PolarHBondContact O-N 3.49Å; H931-D933 VanDerWaalsContact C-N 3.31Å; H931-D933 PolarHBondContact O-N 2.86Å; H931-R934 WeakPolarHBondContact O-CA 3.3Å; H931-R934 WeakPolarHBondContact O-CB 3.26Å; H931-R934 PolarHBondContact O-N 3.17Å; H931-V935 PolarHBondContact O-N 2.77Å; H931-L1004 PolarHBondContact NE2-O 3.07Å |
| 932 | K | 82.3 | Confident | 73.7 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -53.6 | -45.6 | 175.6 | -69.4 | 170.2 | 175 | 165.5 | 0 | 112.1 | S927 S928 E929 R934 V935 F936 E1009 D1011 F1012 | S927-K932 WeakPolarHBondContact O-CE 3.49Å; S927-K932 PolarHBondContact O-NZ 2.96Å; S928-K932 PolarHBondContact O-N 2.99Å; S928-K932 VanDerWaalsContact O-N 3.07Å; E929-K932 PolarHBondContact O-N 3Å; K932-R934 PolarHBondContact O-N 3.37Å; K932-V935 WeakPolarHBondContact O-CB 3.39Å; K932-V935 PolarHBondContact O-N 3.19Å; K932-F936 WeakPolarHBondContact O-CD2 3.35Å; K932-F936 PolarHBondContact O-N 3.42Å; K932-F936 VanDerWaalsContact O-N 3.13Å; K932-E1009 WeakPolarHBondContact CE-OE1 3.41Å; K932-E1009 WeakPolarHBondContact CE-OE2 3.15Å; K932-E1009 IonicContact NZ-OE1 2.81Å; K932-E1009 PolarHBondContact NZ-OE1 3.41Å; K932-E1009 IonicContact NZ-OE2 2.72Å; K932-D1011 PolarHBondContact NZ-O 3.05Å; K932-F1012 HydrophobicContact CD-CD1 4.25Å |
| 933 | D | 78.5 | Confident | 71.9 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.5 | -38.2 | 173.5 | -86.6 | 13.4 | 0 | 0 | 0 | 112.8 | E929 H931 F936 S937 K1014 | E929-D933 WeakPolarHBondContact O-CB 3.38Å; E929-D933 PolarHBondContact O-N 3.42Å; H931-D933 VanDerWaalsContact C-N 3.31Å; H931-D933 PolarHBondContact O-N 2.86Å; D933-F936 PolarHBondContact O-N 2.73Å; D933-S937 WeakPolarHBondContact O-CB 3.24Å; D933-S937 PolarHBondContact O-N 2.7Å; D933-S937 PolarHBondContact O-OG 3.45Å; D933-K1014 WeakPolarHBondContact OD1-CE 3.44Å; D933-K1014 IonicContact OD1-NZ 2.69Å; D933-K1014 PolarHBondContact OD1-NZ 2.95Å; D933-K1014 IonicContact OD2-NZ 2.73Å; D933-K1014 PolarHBondContact OD2-NZ 3.43Å |
| 934 | R | 81.2 | Confident | 70.4 | Confident | 135 Ų | 135 | 80.2 Ų | 80.2 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76.8 | -26.7 | 178.8 | -70.3 | 173.6 | 166.8 | -163.4 | -7.7 | 113.4 | C912 K930 H931 K932 | C912-R934 WeakPolarHBondContact SG-CD 3.47Å; C912-R934 PolarHBondContact SG-NH1 3.28Å; C912-R934 VanDerWaalsContact SG-NH1 3.45Å; K930-R934 WeakPolarHBondContact O-CD 3.38Å; H931-R934 WeakPolarHBondContact O-CA 3.3Å; H931-R934 WeakPolarHBondContact O-CB 3.26Å; H931-R934 PolarHBondContact O-N 3.17Å; K932-R934 PolarHBondContact O-N 3.37Å |
| 935 | V | 81.3 | Confident | 69.3 | Low | 12 Ų | 12 | 77.9 Ų | 77.9 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 171.1 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | L911 H931 K932 A999 I1005 | L911-V935 HydrophobicContact CD1-CB 4.47Å; L911-V935 HydrophobicContact CD1-CG2 3.81Å; H931-V935 PolarHBondContact O-N 2.77Å; K932-V935 WeakPolarHBondContact O-CB 3.39Å; K932-V935 PolarHBondContact O-N 3.19Å; V935-A999 HydrophobicContact CG1-CB 3.41Å; V935-A999 VanDerWaalsContact CG1-CB 3.41Å; V935-I1005 HydrophobicContact CB-CD1 4.42Å; V935-I1005 HydrophobicContact CG1-CD1 3.91Å; V935-I1005 HydrophobicContact CG2-CD1 4.44Å; V935-I1005 HydrophobicContact CG2-CG1 4.47Å |
| 936 | F | 78.8 | Confident | 68.4 | Low | 5 Ų | 5 | 83 Ų | 83 | 2% | 0.022 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -87.9 | -15.4 | -178.7 | -60.8 | -58.4 | 0 | 0 | 0 | 114.5 | K932 D933 L992 K995 L996 I1005 F1012 Y1015 L1018 | K932-F936 WeakPolarHBondContact O-CD2 3.35Å; K932-F936 PolarHBondContact O-N 3.42Å; K932-F936 VanDerWaalsContact O-N 3.13Å; D933-F936 PolarHBondContact O-N 2.73Å; F936-L992 HydrophobicContact CB-CD2 3.95Å; F936-L992 HydrophobicContact CD1-CD2 3.87Å; F936-L992 HydrophobicContact CG-CD2 4.26Å; F936-K995 HydrophobicContact CD1-CB 4.48Å; F936-L996 HydrophobicContact CE1-CB 4.21Å; F936-L996 HydrophobicContact CE1-CD1 4.34Å; F936-L996 HydrophobicContact CZ-CD1 3.87Å; F936-I1005 HydrophobicContact CZ-CD1 4.09Å; F936-F1012 HydrophobicContact CE2-CD1 4.36Å; F936-F1012 HydrophobicContact CZ-CD1 4.46Å; F936-Y1015 HydrophobicContact CB-CD1 4.37Å; F936-Y1015 HydrophobicContact CB-CE1 3.74Å; F936-Y1015 HydrophobicContact CB-CE2 4.24Å; F936-Y1015 HydrophobicContact CD2-CD1 4.06Å; F936-Y1015 AromaticContact CD2-CD2 3.56Å; F936-Y1015 HydrophobicContact CD2-CD2 3.56Å; F936-Y1015 HydrophobicContact CD2-CE1 4.11Å; F936-Y1015 AromaticContact CD2-CE2 3.62Å; F936-Y1015 HydrophobicContact CD2-CE2 3.62Å; F936-Y1015 AromaticContact CD2-CG 3.79Å; F936-Y1015 HydrophobicContact CD2-CG 3.79Å; F936-Y1015 AromaticContact CD2-CZ 3.91Å; F936-Y1015 AromaticContact CE2-CD2 3.96Å; F936-Y1015 HydrophobicContact CE2-CD2 3.96Å; F936-Y1015 HydrophobicContact CE2-CE2 4.45Å; F936-Y1015 HydrophobicContact CE2-CG 4.06Å; F936-Y1015 HydrophobicContact CG-CD1 4.18Å; F936-Y1015 HydrophobicContact CG-CD2 4.42Å; F936-Y1015 HydrophobicContact CG-CE1 4.04Å; F936-Y1015 HydrophobicContact CG-CE2 4.29Å; F936-Y1015 HydrophobicContact CG-CG 4.37Å; F936-L1018 HydrophobicContact CD1-CD1 4.5Å; F936-L1018 HydrophobicContact CE1-CD1 3.86Å; F936-L1018 HydrophobicContact CZ-CD1 3.99Å |
| 937 | S | 71.5 | Confident | 68.2 | Low | 50 Ų | 50 | 85.8 Ų | 85.8 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | trans | -52.1 | 148.6 | 170.2 | -90.2 | 0 | 0 | 0 | 0 | 112.9 | D933 K995 | D933-S937 WeakPolarHBondContact O-CB 3.24Å; D933-S937 PolarHBondContact O-N 2.7Å; D933-S937 PolarHBondContact O-OG 3.45Å; S937-K995 PolarHBondContact O-NZ 2.8Å | ||
| 938 | C | 57.6 | Low | 68 | Low | 71 Ų | 71 | 88.1 Ų | 88.1 | 48% | 0.48 | 48% | 0.479 | S | S | . | . | trans | -100.4 | 20.5 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | G940 | C938-G940 PolarHBondContact O-N 3.13Š| ||
| 939 | E | 50.4 | Low | 68 | Low | 186 Ų | 186 | 90.7 Ų | 90.7 | 87% | 0.869 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -77.7 | 82.5 | 177.3 | -63.8 | -169.7 | 136.5 | 0 | 0 | 111.3 | ||
| 940 | G | 54.2 | Low | 68.1 | Low | 75 Ų | 75 | 87.1 Ų | 87.1 | 77% | 0.773 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 145.7 | -15.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118 | C938 | C938-G940 PolarHBondContact O-N 3.13Š|
| 941 | E | 49.3 | Very low | 68.2 | Low | 118 Ų | 118 | 82.6 Ų | 82.6 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -124.6 | 122.3 | 179.4 | -66.3 | -179.8 | 158.1 | 0 | 0 | 109.2 | K998 | E941-K998 IonicContact OE1-NZ 2.77Å; E941-K998 PolarHBondContact OE1-NZ 2.83Å; E941-K998 IonicContact OE2-NZ 2.69Å; E941-K998 PolarHBondContact OE2-NZ 3.08Å |
| 942 | D | 44.4 | Very low | 68.2 | Low | 146 Ų | 146 | 83 Ų | 83 | 78% | 0.781 | 45% | 0.448 | S | S | * | . | trans | 53 | 113.3 | 174.3 | -59.8 | -29 | 0 | 0 | 0 | 121.1 | A944 | D942-A944 PolarHBondContact O-N 2.79Š| ||
| 943 | E | 45.5 | Very low | 67.9 | Low | 208 Ų | 208 | 83 Ų | 83 | 97% | 0.972 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 10.1 | 171.9 | -61.3 | -174.7 | 121.5 | 0 | 0 | 114.5 | ||
| 944 | A | 48.5 | Very low | 67.8 | Low | 76 Ų | 76 | 82.8 Ų | 82.8 | 63% | 0.628 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -27.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D942 T946 | D942-A944 PolarHBondContact O-N 2.79Å; A944-T946 PolarHBondContact O-N 2.87Å |
| 945 | L | 59.6 | Low | 67.7 | Low | 90 Ų | 90 | 78.2 Ų | 78.2 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | trans | -99.9 | 86.1 | -174.4 | -88.5 | 65.2 | 0 | 0 | 0 | 111.5 | W947 F991 | L945-W947 HydrophobicContact CB-CZ2 4.39Å; L945-W947 HydrophobicContact CD2-CH2 3.97Å; L945-W947 HydrophobicContact CD2-CZ2 3.84Å; L945-W947 PolarHBondContact O-N 2.69Å; L945-F991 HydrophobicContact CD2-CD2 4.02Å; L945-F991 HydrophobicContact CD2-CE2 4.14Å; L945-F991 HydrophobicContact CD2-CG 4.43Å | ||
| 946 | T | 64.6 | Low | 67.9 | Low | 117 Ų | 117 | 79.2 Ų | 79.2 | 72% | 0.718 | 45% | 0.449 | S | S | * | . | trans | -94 | 91.8 | 174.2 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | A944 S948 | A944-T946 PolarHBondContact O-N 2.87Å; T946-S948 PolarHBondContact O-N 3.38Å; T946-S948 PolarHBondContact O-OG 2.91Å | ||
| 947 | W | 80.6 | Confident | 68.1 | Low | 60 Ų | 60 | 86.1 Ų | 86.1 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | trans | -57.9 | 121.4 | 172.7 | -49.7 | 110 | 0 | 0 | 0 | 110.9 | L945 E984 E987 R988 F991 | L945-W947 HydrophobicContact CB-CZ2 4.39Å; L945-W947 HydrophobicContact CD2-CH2 3.97Å; L945-W947 HydrophobicContact CD2-CZ2 3.84Å; L945-W947 PolarHBondContact O-N 2.69Å; W947-E984 WeakPolarHBondContact CA-OE1 3.48Å; W947-E984 WeakPolarHBondContact CB-OE1 3.25Å; W947-E984 HydrophobicContact CE3-CG 3.59Å; W947-E984 HydrophobicContact CZ3-CG 4.09Å; W947-E987 HydrophobicContact CZ3-CB 4.21Å; W947-R988 VanDerWaalsContact CB-NH1 3.35Å; W947-R988 HydrophobicContact CD2-CB 4.18Å; W947-R988 HydrophobicContact CD2-CG 3.89Å; W947-R988 HydrophobicContact CE3-CB 3.88Å; W947-R988 HydrophobicContact CE3-CG 4.12Å; W947-R988 HydrophobicContact CG-CG 4.47Å; W947-R988 VanDerWaalsContact CH2-CA 3.45Å; W947-R988 HydrophobicContact CH2-CB 3.79Å; W947-R988 HydrophobicContact CH2-CG 4.18Å; W947-R988 HydrophobicContact CZ2-CB 4.09Å; W947-R988 HydrophobicContact CZ2-CG 3.95Å; W947-R988 HydrophobicContact CZ3-CB 3.67Å; W947-R988 HydrophobicContact CZ3-CG 4.26Å; W947-F991 HydrophobicContact CH2-CB 4.35Å; W947-F991 HydrophobicContact CZ2-CB 4.25Å; W947-F991 AromaticContact CZ2-CD1 3.96Å; W947-F991 HydrophobicContact CZ2-CD1 3.96Å; W947-F991 HydrophobicContact CZ2-CG 4.18Å | ||
| 948 | S | 75.9 | Confident | 68.8 | Low | 100 Ų | 100 | 87.9 Ų | 87.9 | 70% | 0.699 | 48% | 0.484 | S | S | * | . | trans | -99 | -22 | -173.8 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | T946 E984 | T946-S948 PolarHBondContact O-N 3.38Å; T946-S948 PolarHBondContact O-OG 2.91Å; S948-E984 WeakPolarHBondContact CA-OE2 3.35Å; S948-E984 WeakPolarHBondContact CB-OE2 3.33Å; S948-E984 VanDerWaalsContact N-CD 3.29Å; S948-E984 PolarHBondContact N-OE1 3.23Å; S948-E984 VanDerWaalsContact N-OE1 3.1Å; S948-E984 PolarHBondContact N-OE2 3.24Å | ||
| 949 | Y | 82.3 | Confident | 70 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -99.3 | 172.8 | -179.4 | -71.8 | -75.2 | 0 | 0 | 0 | 112.8 | E980 E981 E984 | Y949-E980 HydrophobicContact CE2-CB 3.92Å; Y949-E980 WeakPolarHBondContact OH-CB 2.97Å; Y949-E980 PolarHBondContact OH-OE2 2.89Å; Y949-E981 HydrophobicContact CD1-CB 3.7Å; Y949-E981 HydrophobicContact CD1-CG 4.01Å; Y949-E981 HydrophobicContact CD2-CB 4.43Å; Y949-E981 HydrophobicContact CE1-CB 4.06Å; Y949-E981 HydrophobicContact CG-CB 3.92Å; Y949-E981 HydrophobicContact CG-CG 4.08Å; Y949-E984 HydrophobicContact CD2-CB 3.91Å; Y949-E984 HydrophobicContact CD2-CG 4.46Å; Y949-E984 WeakPolarHBondContact CD2-OE2 3.5Å; Y949-E984 PolarHBondContact N-OE1 2.71Å; Y949-E984 PolarHBondContact N-OE2 3.5Å |
| 950 | R | 81.7 | Confident | 71.2 | Confident | 49 Ų | 49 | 80.9 Ų | 80.9 | 19% | 0.185 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 163.5 | -177.7 | 83 | -169.6 | -171 | -97.3 | 4.4 | 111.3 | V971 C973 Y975 H977 E981 W985 | R950-V971 PolarHBondContact NE-O 2.95Å; R950-C973 PolarHBondContact NH2-O 3.41Å; R950-Y975 PolarHBondContact NH2-O 3.47Å; R950-H977 PolarHBondContact NH1-ND1 2.95Å; R950-E981 WeakPolarHBondContact CG-OE1 3.46Å; R950-E981 IonicContact CZ-OE1 3.67Å; R950-E981 IonicContact CZ-OE2 2.79Å; R950-E981 IonicContact NE-OE1 2.7Å; R950-E981 IonicContact NH1-OE1 3.62Å; R950-E981 PolarHBondContact NH1-OE1 3.42Å; R950-E981 IonicContact NH1-OE2 3.96Å; R950-E981 PolarHBondContact NH1-OE2 3.42Å; R950-W985 HydrophobicContact CG-CZ2 3.77Å; R950-W985 PolarHBondContact O-NE1 3.27Å |
| 951 | F | 81.6 | Confident | 72.1 | Confident | 79 Ų | 79 | 83 Ų | 83 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 140.5 | 177.2 | -170.2 | -95.2 | 0 | 0 | 0 | 110.8 | G953 Y1015 F1017 | F951-G953 PolarHBondContact O-N 2.72Å; F951-Y1015 AromaticContact CE2-CE1 3.97Å; F951-Y1015 HydrophobicContact CE2-CE1 3.97Å; F951-Y1015 AromaticContact CZ-CD1 3.88Å; F951-Y1015 HydrophobicContact CZ-CD1 3.88Å; F951-Y1015 AromaticContact CZ-CE1 3.68Å; F951-Y1015 HydrophobicContact CZ-CE1 3.68Å; F951-F1017 AromaticContact CE1-CE1 3.67Å; F951-F1017 HydrophobicContact CE1-CE1 3.67Å; F951-F1017 HydrophobicContact CE1-CZ 4.4Å; F951-F1017 AromaticContact CZ-CE1 3.71Å; F951-F1017 HydrophobicContact CZ-CE1 3.71Å; F951-F1017 HydrophobicContact CZ-CZ 4.13Å |
| 952 | P | 82.2 | Confident | 73.2 | Confident | 8 Ų | 8 | 79.8 Ų | 79.8 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 136 | -177.1 | -26.6 | 35.5 | 0 | 0 | 0 | 114 | F956 W985 F1017 | P952-F956 HydrophobicContact CB-CE1 4.2Å; P952-F956 HydrophobicContact CB-CZ 3.95Å; P952-W985 HydrophobicContact CB-CB 4.32Å; P952-W985 HydrophobicContact CB-CD2 3.93Å; P952-W985 HydrophobicContact CB-CE3 4.11Å; P952-W985 HydrophobicContact CB-CG 4.02Å; P952-W985 HydrophobicContact CG-CB 4.08Å; P952-W985 HydrophobicContact CG-CD2 4.28Å; P952-W985 HydrophobicContact CG-CG 3.88Å; P952-F1017 HydrophobicContact CB-CE1 4.48Å; P952-F1017 HydrophobicContact CB-CE2 4.33Å; P952-F1017 HydrophobicContact CB-CZ 4.24Å; P952-F1017 HydrophobicContact CG-CE2 4.46Å; P952-F1017 HydrophobicContact CG-CZ 4.28Å |
| 953 | G | 76.9 | Confident | 73.6 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 17% | 0.165 | 43% | 0.431 | C | S | . | . | trans | -83.1 | -175.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F951 C955 D974 W985 | F951-G953 PolarHBondContact O-N 2.72Å; G953-C955 PolarHBondContact O-N 3.35Å; G953-D974 CarbonylContact C-O 3.55Å; G953-W985 VanDerWaalsContact N-CH2 3.32Å; G953-W985 VanDerWaalsContact N-CZ3 3.33Å | ||
| 954 | A | 76.1 | Confident | 74.2 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -70.6 | -11.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D974 Q1020 | A954-D974 HydrophobicContact CB-CB 4.3Å; A954-D974 VanDerWaalsContact CB-OD1 3.28Å; A954-D974 WeakPolarHBondContact CB-OD1 3.29Å; A954-D974 PolarHBondContact N-O 2.74Å; A954-D974 PolarHBondContact N-OD1 3.36Å; A954-Q1020 PolarHBondContact O-OE1 3.07Å |
| 955 | C | 79.4 | Confident | 74.8 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 106.6 | -173.1 | -78.2 | 0 | 0 | 0 | 0 | 113.3 | G953 K957 D974 Y975 | G953-C955 PolarHBondContact O-N 3.35Å; C955-K957 PolarHBondContact O-N 3.02Å; C955-D974 HydrophobicContact CB-CB 4.43Å; C955-D974 WeakPolarHBondContact CB-O 3.28Å; C955-D974 PolarHBondContact N-O 2.7Å; C955-Y975 HydrophobicContact CB-CD1 3.46Å; C955-Y975 VanDerWaalsContact CB-CD1 3.46Å; C955-Y975 HydrophobicContact CB-CD2 4.37Å; C955-Y975 HydrophobicContact CB-CE1 3.49Å; C955-Y975 VanDerWaalsContact CB-CE1 3.49Å; C955-Y975 HydrophobicContact CB-CE2 4.4Å; C955-Y975 HydrophobicContact CB-CG 3.92Å |
| 956 | F | 84.1 | Confident | 75.1 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 54.7 | 171.1 | -66.7 | -89.1 | 0 | 0 | 0 | 112.9 | P952 L982 W985 I986 R989 F1017 | P952-F956 HydrophobicContact CB-CE1 4.2Å; P952-F956 HydrophobicContact CB-CZ 3.95Å; F956-L982 HydrophobicContact CB-CD1 4.07Å; F956-L982 HydrophobicContact CD1-CD1 4.4Å; F956-W985 HydrophobicContact CD1-CB 4.11Å; F956-W985 HydrophobicContact CE1-CB 3.82Å; F956-W985 WeakPolarHBondContact CE1-O 3.39Å; F956-I986 HydrophobicContact CD1-CG1 4Å; F956-R989 HydrophobicContact CE1-CB 3.95Å; F956-R989 HydrophobicContact CE1-CG 4.49Å; F956-R989 HydrophobicContact CZ-CB 3.91Å; F956-R989 HydrophobicContact CZ-CG 4.07Å; F956-F1017 HydrophobicContact CE2-CB 4.03Å; F956-F1017 AromaticContact CE2-CD2 3.72Å; F956-F1017 HydrophobicContact CE2-CD2 3.72Å; F956-F1017 HydrophobicContact CE2-CG 4.2Å; F956-F1017 AromaticContact CZ-CD2 3.48Å; F956-F1017 HydrophobicContact CZ-CD2 3.48Å; F956-F1017 VanDerWaalsContact CZ-CD2 3.48Å; F956-F1017 AromaticContact CZ-CE2 3.95Å; F956-F1017 HydrophobicContact CZ-CE2 3.95Å; F956-F1017 HydrophobicContact CZ-CG 4.25Å |
| 957 | K | 84.2 | Confident | 75.6 | Confident | 150 Ų | 150 | 64 Ų | 64 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.3 | 176.6 | -63.7 | 178.5 | -176.2 | 167.4 | 0 | 108.9 | C955 Y975 A976 | C955-K957 PolarHBondContact O-N 3.02Å; K957-Y975 HydrophobicContact CB-CD1 4.13Å; K957-Y975 HydrophobicContact CB-CE1 4.41Å; K957-Y975 WeakPolarHBondContact O-CB 3.5Å; K957-A976 PolarHBondContact O-N 3.2Å |
| 958 | I | 85.6 | Confident | 75.1 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 137.7 | 174.9 | -58.5 | 178.4 | 0 | 0 | 0 | 109.1 | P960 A976 L982 | I958-P960 WeakPolarHBondContact O-CD 3.27Å; I958-A976 CarbonylContact C-O 3.54Å; I958-A976 WeakPolarHBondContact CA-O 3.2Å; I958-L982 HydrophobicContact CG1-CD2 3.86Å |
| 959 | C | 82.8 | Confident | 74.7 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.027 | 41% | 0.408 | C | S | . | . | trans | -62.2 | 117.4 | -176.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | K961 I962 C967 C973 Y975 A976 | C959-K961 PolarHBondContact O-N 2.69Å; C959-I962 HydrophobicContact CB-CB 4.27Å; C959-I962 VanDerWaalsContact O-CG2 3.26Å; C959-I962 WeakPolarHBondContact O-CG2 3.26Å; C959-I962 PolarHBondContact O-N 3.21Å; C959-C967 VanDerWaalsContact SG-SG 3.68Å; C959-C973 VanDerWaalsContact SG-SG 3.69Å; C959-Y975 VanDerWaalsContact CA-CB 3.47Å; C959-Y975 HydrophobicContact CB-CG 4.44Å; C959-A976 PolarHBondContact N-O 3.07Å | ||
| 960 | P | 76.3 | Confident | 74.4 | Confident | 107 Ų | 107 | 61.3 Ų | 61.3 | 70% | 0.695 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.9 | -178.8 | 27.8 | -35 | 0 | 0 | 0 | 113.1 | I958 | I958-P960 WeakPolarHBondContact O-CD 3.27Š|
| 961 | K | 73.4 | Confident | 73.8 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11 | 178.2 | -57.7 | -179.7 | -176 | 171.4 | 0 | 114 | C959 G963 P968 D969 | C959-K961 PolarHBondContact O-N 2.69Å; K961-G963 VanDerWaalsContact C-N 3.32Å; K961-G963 PolarHBondContact O-N 3.3Å; K961-P968 HydrophobicContact CD-CG 4.1Å; K961-D969 WeakPolarHBondContact CD-OD2 3.36Å; K961-D969 VanDerWaalsContact NZ-CG 3.26Å; K961-D969 IonicContact NZ-OD1 3.05Å; K961-D969 PolarHBondContact NZ-OD1 3.05Å; K961-D969 IonicContact NZ-OD2 2.66Å; K961-D969 PolarHBondContact NZ-OD2 2.9Å |
| 962 | I | 71.9 | Confident | 73.3 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | trans | -78.5 | -12.9 | -165.5 | -154.9 | 160.9 | 0 | 0 | 0 | 114.9 | C959 G964 H977 | C959-I962 HydrophobicContact CB-CB 4.27Å; C959-I962 VanDerWaalsContact O-CG2 3.26Å; C959-I962 WeakPolarHBondContact O-CG2 3.26Å; C959-I962 PolarHBondContact O-N 3.21Å; I962-G964 VanDerWaalsContact C-N 3.32Å; I962-G964 PolarHBondContact O-N 3.04Å; I962-H977 HydrophobicContact CD1-CB 3.44Å; I962-H977 VanDerWaalsContact CD1-CB 3.44Å; I962-H977 WeakPolarHBondContact CD1-O 3.47Å | ||
| 963 | G | 52.3 | Low | 73.3 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 84% | 0.835 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 73.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K961 | K961-G963 VanDerWaalsContact C-N 3.32Å; K961-G963 PolarHBondContact O-N 3.3Å |
| 964 | G | 59.1 | Low | 73.4 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 86% | 0.856 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 156.1 | -25.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | I962 | I962-G964 VanDerWaalsContact C-N 3.32Å; I962-G964 PolarHBondContact O-N 3.04Å |
| 965 | G | 59.8 | Low | 73.8 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.2 | 17.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 966 | G | 66.9 | Low | 74 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | trans | 81.2 | 167.6 | -168 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 967 | C | 75 | Confident | 74.1 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.122 | 46% | 0.457 | C | S | . | . | trans | -85.3 | 128.1 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | C959 D969 G970 H977 | C959-C967 VanDerWaalsContact SG-SG 3.68Å; C967-D969 PolarHBondContact O-N 2.74Å; C967-D969 PolarHBondContact SG-OD2 2.87Å; C967-G970 PolarHBondContact O-N 3.31Å; C967-G970 VanDerWaalsContact O-N 3.14Å; C967-H977 VanDerWaalsContact CB-NE2 3.27Å; C967-H977 WeakPolarHBondContact CB-NE2 3.2Å | ||
| 968 | P | 68.9 | Low | 74.1 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.5 | 177.2 | 27.5 | -35.6 | 0 | 0 | 0 | 112.6 | K961 G970 | K961-P968 HydrophobicContact CD-CG 4.1Å; P968-G970 PolarHBondContact O-N 3.31Å |
| 969 | D | 69.1 | Low | 74 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 31% | 0.31 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.6 | -179.2 | -37.9 | -54.5 | 0 | 0 | 0 | 112.3 | K961 C967 S972 C973 | K961-D969 WeakPolarHBondContact CD-OD2 3.36Å; K961-D969 VanDerWaalsContact NZ-CG 3.26Å; K961-D969 IonicContact NZ-OD1 3.05Å; K961-D969 PolarHBondContact NZ-OD1 3.05Å; K961-D969 IonicContact NZ-OD2 2.66Å; K961-D969 PolarHBondContact NZ-OD2 2.9Å; C967-D969 PolarHBondContact O-N 2.74Å; C967-D969 PolarHBondContact SG-OD2 2.87Å; D969-S972 CarbonylContact O-C 3.48Å; D969-S972 WeakPolarHBondContact O-CA 3.35Å; D969-S972 PolarHBondContact O-N 3.13Å; D969-S972 PolarHBondContact O-OG 3.49Å; D969-C973 HydrophobicContact CB-CB 3.96Å; D969-C973 PolarHBondContact O-N 3.49Å |
| 970 | G | 74.8 | Confident | 74.1 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | 56 | -136.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C967 P968 S972 C973 H977 | C967-G970 PolarHBondContact O-N 3.31Å; C967-G970 VanDerWaalsContact O-N 3.14Å; P968-G970 PolarHBondContact O-N 3.31Å; G970-S972 PolarHBondContact O-N 3.33Å; G970-C973 WeakPolarHBondContact O-CB 3.27Å; G970-C973 PolarHBondContact O-N 2.92Å; G970-H977 PolarHBondContact O-CE1 3.11Å; G970-H977 VanDerWaalsContact O-CE1 3.24Å |
| 971 | V | 69.4 | Low | 74.6 | Confident | 131 Ų | 131 | 66.1 Ų | 66.1 | 79% | 0.794 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -64.8 | -26 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | R950 C973 | R950-V971 PolarHBondContact NE-O 2.95Å; V971-C973 VanDerWaalsContact C-N 3.32Å; V971-C973 PolarHBondContact O-N 3.31Å |
| 972 | S | 70.7 | Confident | 75.2 | Confident | 104 Ų | 104 | 61.8 Ų | 61.8 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -82.4 | 5 | 176.7 | 32.9 | 0 | 0 | 0 | 0 | 114.9 | D969 G970 D974 | D969-S972 CarbonylContact O-C 3.48Å; D969-S972 WeakPolarHBondContact O-CA 3.35Å; D969-S972 PolarHBondContact O-N 3.13Å; D969-S972 PolarHBondContact O-OG 3.49Å; G970-S972 PolarHBondContact O-N 3.33Å; S972-D974 PolarHBondContact O-N 2.78Å |
| 973 | C | 81.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | trans | -70.7 | 126.3 | 175.4 | -175 | 0 | 0 | 0 | 0 | 111.6 | R950 C959 D969 G970 V971 Y975 H977 | R950-C973 PolarHBondContact NH2-O 3.41Å; C959-C973 VanDerWaalsContact SG-SG 3.69Å; D969-C973 HydrophobicContact CB-CB 3.96Å; D969-C973 PolarHBondContact O-N 3.49Å; G970-C973 WeakPolarHBondContact O-CB 3.27Å; G970-C973 PolarHBondContact O-N 2.92Å; V971-C973 VanDerWaalsContact C-N 3.32Å; V971-C973 PolarHBondContact O-N 3.31Å; C973-Y975 PolarHBondContact O-N 2.86Å; C973-H977 WeakPolarHBondContact CB-NE2 3.35Å; C973-H977 PolarHBondContact SG-NE2 3.15Å | ||
| 974 | D | 80.8 | Confident | 77.6 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -64.9 | -16.8 | 176.5 | -79.2 | -60.5 | 0 | 0 | 0 | 115 | G953 A954 C955 S972 | G953-D974 CarbonylContact C-O 3.55Å; A954-D974 HydrophobicContact CB-CB 4.3Å; A954-D974 VanDerWaalsContact CB-OD1 3.28Å; A954-D974 WeakPolarHBondContact CB-OD1 3.29Å; A954-D974 PolarHBondContact N-O 2.74Å; A954-D974 PolarHBondContact N-OD1 3.36Å; C955-D974 HydrophobicContact CB-CB 4.43Å; C955-D974 WeakPolarHBondContact CB-O 3.28Å; C955-D974 PolarHBondContact N-O 2.7Å; S972-D974 PolarHBondContact O-N 2.78Å |
| 975 | Y | 83.9 | Confident | 79.1 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.5 | -175.7 | -63.4 | -92.6 | 0 | 0 | 0 | 111.9 | R950 C955 K957 C959 C973 H977 | R950-Y975 PolarHBondContact NH2-O 3.47Å; C955-Y975 HydrophobicContact CB-CD1 3.46Å; C955-Y975 VanDerWaalsContact CB-CD1 3.46Å; C955-Y975 HydrophobicContact CB-CD2 4.37Å; C955-Y975 HydrophobicContact CB-CE1 3.49Å; C955-Y975 VanDerWaalsContact CB-CE1 3.49Å; C955-Y975 HydrophobicContact CB-CE2 4.4Å; C955-Y975 HydrophobicContact CB-CG 3.92Å; K957-Y975 HydrophobicContact CB-CD1 4.13Å; K957-Y975 HydrophobicContact CB-CE1 4.41Å; K957-Y975 WeakPolarHBondContact O-CB 3.5Å; C959-Y975 VanDerWaalsContact CA-CB 3.47Å; C959-Y975 HydrophobicContact CB-CG 4.44Å; C973-Y975 PolarHBondContact O-N 2.86Å; Y975-H977 PolarHBondContact O-CD2 3.39Å |
| 976 | A | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 143.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K957 I958 C959 E981 L982 W985 | K957-A976 PolarHBondContact O-N 3.2Å; I958-A976 CarbonylContact C-O 3.54Å; I958-A976 WeakPolarHBondContact CA-O 3.2Å; C959-A976 PolarHBondContact N-O 3.07Å; A976-E981 HydrophobicContact CB-CG 4.36Å; A976-L982 HydrophobicContact CB-CB 3.66Å; A976-L982 HydrophobicContact CB-CD1 4.13Å; A976-L982 HydrophobicContact CB-CG 4.41Å; A976-W985 HydrophobicContact CB-CD2 4.44Å; A976-W985 HydrophobicContact CB-CE3 4.08Å; A976-W985 HydrophobicContact CB-CH2 4.46Å; A976-W985 HydrophobicContact CB-CZ3 4.09Å |
| 977 | H | 85.4 | Confident | 81.2 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -98.7 | -0.9 | -177.6 | -69.2 | 175 | 0 | 0 | 0 | 113.6 | R950 I962 C967 G970 C973 Y975 E981 | R950-H977 PolarHBondContact NH1-ND1 2.95Å; I962-H977 HydrophobicContact CD1-CB 3.44Å; I962-H977 VanDerWaalsContact CD1-CB 3.44Å; I962-H977 WeakPolarHBondContact CD1-O 3.47Å; C967-H977 VanDerWaalsContact CB-NE2 3.27Å; C967-H977 WeakPolarHBondContact CB-NE2 3.2Å; G970-H977 PolarHBondContact O-CE1 3.11Å; G970-H977 VanDerWaalsContact O-CE1 3.24Å; C973-H977 WeakPolarHBondContact CB-NE2 3.35Å; C973-H977 PolarHBondContact SG-NE2 3.15Å; Y975-H977 PolarHBondContact O-CD2 3.39Å; H977-E981 WeakPolarHBondContact CA-OE2 3.49Å; H977-E981 WeakPolarHBondContact CB-OE2 3.25Å; H977-E981 IonicContact CG-OE2 3.22Å; H977-E981 PolarHBondContact N-OE2 2.94Å |
| 978 | G | 84.2 | Confident | 81.7 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -157.7 | 165.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | E980 L982 | G978-E980 VanDerWaalsContact C-N 3.32Å; G978-L982 WeakPolarHBondContact O-CB 3.38Å; G978-L982 PolarHBondContact O-N 2.93Å |
| 979 | S | 82.8 | Confident | 82.5 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.4 | -36.4 | 173.5 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | L982 Q983 | S979-L982 PolarHBondContact O-N 3.18Å; S979-Q983 WeakPolarHBondContact O-CB 3.15Å; S979-Q983 PolarHBondContact O-N 2.77Å |
| 980 | E | 84.8 | Confident | 83.2 | Confident | 131 Ų | 131 | 56.5 Ų | 56.5 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.5 | -43.2 | 177.3 | -64.5 | 178 | -159.2 | 0 | 0 | 112.2 | Y949 G978 L982 Q983 E984 | Y949-E980 HydrophobicContact CE2-CB 3.92Å; Y949-E980 WeakPolarHBondContact OH-CB 2.97Å; Y949-E980 PolarHBondContact OH-OE2 2.89Å; G978-E980 VanDerWaalsContact C-N 3.32Å; E980-L982 VanDerWaalsContact C-N 3.33Å; E980-L982 PolarHBondContact O-N 3Å; E980-Q983 PolarHBondContact O-N 3.17Å; E980-E984 PolarHBondContact O-N 2.69Å |
| 981 | E | 86.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 173.8 | 178.8 | 170.6 | -124.6 | 0 | 0 | 111.1 | Y949 R950 A976 H977 Q983 E984 W985 | Y949-E981 HydrophobicContact CD1-CB 3.7Å; Y949-E981 HydrophobicContact CD1-CG 4.01Å; Y949-E981 HydrophobicContact CD2-CB 4.43Å; Y949-E981 HydrophobicContact CE1-CB 4.06Å; Y949-E981 HydrophobicContact CG-CB 3.92Å; Y949-E981 HydrophobicContact CG-CG 4.08Å; R950-E981 WeakPolarHBondContact CG-OE1 3.46Å; R950-E981 IonicContact CZ-OE1 3.67Å; R950-E981 IonicContact CZ-OE2 2.79Å; R950-E981 IonicContact NE-OE1 2.7Å; R950-E981 IonicContact NH1-OE1 3.62Å; R950-E981 PolarHBondContact NH1-OE1 3.42Å; R950-E981 IonicContact NH1-OE2 3.96Å; R950-E981 PolarHBondContact NH1-OE2 3.42Å; A976-E981 HydrophobicContact CB-CG 4.36Å; H977-E981 WeakPolarHBondContact CA-OE2 3.49Å; H977-E981 WeakPolarHBondContact CB-OE2 3.25Å; H977-E981 IonicContact CG-OE2 3.22Å; H977-E981 PolarHBondContact N-OE2 2.94Å; E981-Q983 VanDerWaalsContact C-N 3.33Å; E981-Q983 PolarHBondContact O-N 3.19Å; E981-E984 PolarHBondContact O-N 2.76Å; E981-W985 HydrophobicContact CG-CD2 4.35Å; E981-W985 HydrophobicContact CG-CG 4.46Å; E981-W985 HydrophobicContact CG-CZ2 4.16Å; E981-W985 WeakPolarHBondContact O-CB 3.36Å; E981-W985 PolarHBondContact O-N 3.12Å |
| 982 | L | 87.4 | Confident | 84.4 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 175.3 | -178.7 | 55.7 | 0 | 0 | 0 | 112.1 | F956 I958 A976 G978 S979 E980 W985 I986 | F956-L982 HydrophobicContact CB-CD1 4.07Å; F956-L982 HydrophobicContact CD1-CD1 4.4Å; I958-L982 HydrophobicContact CG1-CD2 3.86Å; A976-L982 HydrophobicContact CB-CB 3.66Å; A976-L982 HydrophobicContact CB-CD1 4.13Å; A976-L982 HydrophobicContact CB-CG 4.41Å; G978-L982 WeakPolarHBondContact O-CB 3.38Å; G978-L982 PolarHBondContact O-N 2.93Å; S979-L982 PolarHBondContact O-N 3.18Å; E980-L982 VanDerWaalsContact C-N 3.33Å; E980-L982 PolarHBondContact O-N 3Å; L982-W985 PolarHBondContact O-N 2.87Å; L982-I986 HydrophobicContact CD1-CD1 4.17Å; L982-I986 HydrophobicContact CD1-CG1 4.39Å; L982-I986 HydrophobicContact CG-CD1 4.07Å; L982-I986 WeakPolarHBondContact O-CD1 3.47Å; L982-I986 VanDerWaalsContact O-CG1 3.28Å; L982-I986 WeakPolarHBondContact O-CG1 3.47Å; L982-I986 PolarHBondContact O-N 3.23Å |
| 983 | Q | 86.4 | Confident | 85.1 | Confident | 97 Ų | 97 | 49.8 Ų | 49.8 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 177.9 | -176.8 | 60.1 | 32.4 | 0 | 0 | 111.4 | S979 E980 E981 W985 I986 E987 | S979-Q983 WeakPolarHBondContact O-CB 3.15Å; S979-Q983 PolarHBondContact O-N 2.77Å; E980-Q983 PolarHBondContact O-N 3.17Å; E981-Q983 VanDerWaalsContact C-N 3.33Å; E981-Q983 PolarHBondContact O-N 3.19Å; Q983-W985 VanDerWaalsContact C-N 3.3Å; Q983-W985 PolarHBondContact O-N 3.35Å; Q983-I986 PolarHBondContact O-N 3.26Å; Q983-E987 WeakPolarHBondContact CG-OE1 3.27Å; Q983-E987 PolarHBondContact NE2-OE1 2.89Å; Q983-E987 WeakPolarHBondContact O-CG 3.31Å; Q983-E987 PolarHBondContact O-N 3.01Å |
| 984 | E | 88.4 | Confident | 85.2 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 175.4 | -168.4 | -171.6 | 107.1 | 0 | 0 | 111.3 | W947 S948 Y949 E980 E981 I986 E987 R988 | W947-E984 WeakPolarHBondContact CA-OE1 3.48Å; W947-E984 WeakPolarHBondContact CB-OE1 3.25Å; W947-E984 HydrophobicContact CE3-CG 3.59Å; W947-E984 HydrophobicContact CZ3-CG 4.09Å; S948-E984 WeakPolarHBondContact CA-OE2 3.35Å; S948-E984 WeakPolarHBondContact CB-OE2 3.33Å; S948-E984 VanDerWaalsContact N-CD 3.29Å; S948-E984 PolarHBondContact N-OE1 3.23Å; S948-E984 VanDerWaalsContact N-OE1 3.1Å; S948-E984 PolarHBondContact N-OE2 3.24Å; Y949-E984 HydrophobicContact CD2-CB 3.91Å; Y949-E984 HydrophobicContact CD2-CG 4.46Å; Y949-E984 WeakPolarHBondContact CD2-OE2 3.5Å; Y949-E984 PolarHBondContact N-OE1 2.71Å; Y949-E984 PolarHBondContact N-OE2 3.5Å; E980-E984 PolarHBondContact O-N 2.69Å; E981-E984 PolarHBondContact O-N 2.76Å; E984-I986 VanDerWaalsContact C-N 3.34Å; E984-I986 PolarHBondContact O-N 2.93Å; E984-E987 PolarHBondContact O-N 2.92Å; E984-R988 WeakPolarHBondContact O-CB 3.41Å; E984-R988 PolarHBondContact O-N 3.46Å |
| 985 | W | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -43.6 | 174.9 | -76.5 | 15.6 | 0 | 0 | 0 | 111.9 | R950 P952 G953 F956 A976 E981 L982 Q983 R988 R989 | R950-W985 HydrophobicContact CG-CZ2 3.77Å; R950-W985 PolarHBondContact O-NE1 3.27Å; P952-W985 HydrophobicContact CB-CB 4.32Å; P952-W985 HydrophobicContact CB-CD2 3.93Å; P952-W985 HydrophobicContact CB-CE3 4.11Å; P952-W985 HydrophobicContact CB-CG 4.02Å; P952-W985 HydrophobicContact CG-CB 4.08Å; P952-W985 HydrophobicContact CG-CD2 4.28Å; P952-W985 HydrophobicContact CG-CG 3.88Å; G953-W985 VanDerWaalsContact N-CH2 3.32Å; G953-W985 VanDerWaalsContact N-CZ3 3.33Å; F956-W985 HydrophobicContact CD1-CB 4.11Å; F956-W985 HydrophobicContact CE1-CB 3.82Å; F956-W985 WeakPolarHBondContact CE1-O 3.39Å; A976-W985 HydrophobicContact CB-CD2 4.44Å; A976-W985 HydrophobicContact CB-CE3 4.08Å; A976-W985 HydrophobicContact CB-CH2 4.46Å; A976-W985 HydrophobicContact CB-CZ3 4.09Å; E981-W985 HydrophobicContact CG-CD2 4.35Å; E981-W985 HydrophobicContact CG-CG 4.46Å; E981-W985 HydrophobicContact CG-CZ2 4.16Å; E981-W985 WeakPolarHBondContact O-CB 3.36Å; E981-W985 PolarHBondContact O-N 3.12Å; L982-W985 PolarHBondContact O-N 2.87Å; Q983-W985 VanDerWaalsContact C-N 3.3Å; Q983-W985 PolarHBondContact O-N 3.35Å; W985-R988 PolarHBondContact O-N 3.19Å; W985-R989 WeakPolarHBondContact O-CB 3.26Å; W985-R989 PolarHBondContact O-N 2.88Å |
| 986 | I | 85.8 | Confident | 85.4 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | 177.8 | -69.3 | 163 | 0 | 0 | 0 | 110.6 | F956 L982 Q983 E984 R988 R989 D990 | F956-I986 HydrophobicContact CD1-CG1 4Å; L982-I986 HydrophobicContact CD1-CD1 4.17Å; L982-I986 HydrophobicContact CD1-CG1 4.39Å; L982-I986 HydrophobicContact CG-CD1 4.07Å; L982-I986 WeakPolarHBondContact O-CD1 3.47Å; L982-I986 VanDerWaalsContact O-CG1 3.28Å; L982-I986 WeakPolarHBondContact O-CG1 3.47Å; L982-I986 PolarHBondContact O-N 3.23Å; Q983-I986 PolarHBondContact O-N 3.26Å; E984-I986 VanDerWaalsContact C-N 3.34Å; E984-I986 PolarHBondContact O-N 2.93Å; I986-R988 PolarHBondContact O-N 2.91Å; I986-R989 WeakPolarHBondContact O-CB 3.34Å; I986-R989 PolarHBondContact O-N 2.84Å; I986-D990 PolarHBondContact O-N 3.09Å |
| 987 | E | 85.2 | Confident | 85.3 | Confident | 100 Ų | 100 | 53.1 Ų | 53.1 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.8 | -38 | 178.1 | -70.5 | 171.4 | -163.7 | 0 | 0 | 111.8 | W947 Q983 E984 D990 F991 | W947-E987 HydrophobicContact CZ3-CB 4.21Å; Q983-E987 WeakPolarHBondContact CG-OE1 3.27Å; Q983-E987 PolarHBondContact NE2-OE1 2.89Å; Q983-E987 WeakPolarHBondContact O-CG 3.31Å; Q983-E987 PolarHBondContact O-N 3.01Å; E984-E987 PolarHBondContact O-N 2.92Å; E987-D990 PolarHBondContact O-N 3.03Å; E987-F991 WeakPolarHBondContact O-CB 3.34Å; E987-F991 PolarHBondContact O-N 2.9Å |
| 988 | R | 86.2 | Confident | 85.2 | Confident | 47 Ų | 47 | 55 Ų | 55 | 18% | 0.177 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.5 | -36.8 | 175 | -167.1 | 170.4 | -173.6 | 167.2 | 4.4 | 113 | W947 E984 W985 I986 L992 | W947-R988 VanDerWaalsContact CB-NH1 3.35Å; W947-R988 HydrophobicContact CD2-CB 4.18Å; W947-R988 HydrophobicContact CD2-CG 3.89Å; W947-R988 HydrophobicContact CE3-CB 3.88Å; W947-R988 HydrophobicContact CE3-CG 4.12Å; W947-R988 HydrophobicContact CG-CG 4.47Å; W947-R988 VanDerWaalsContact CH2-CA 3.45Å; W947-R988 HydrophobicContact CH2-CB 3.79Å; W947-R988 HydrophobicContact CH2-CG 4.18Å; W947-R988 HydrophobicContact CZ2-CB 4.09Å; W947-R988 HydrophobicContact CZ2-CG 3.95Å; W947-R988 HydrophobicContact CZ3-CB 3.67Å; W947-R988 HydrophobicContact CZ3-CG 4.26Å; E984-R988 WeakPolarHBondContact O-CB 3.41Å; E984-R988 PolarHBondContact O-N 3.46Å; W985-R988 PolarHBondContact O-N 3.19Å; I986-R988 PolarHBondContact O-N 2.91Å; R988-L992 HydrophobicContact CG-CD1 4.34Å; R988-L992 WeakPolarHBondContact O-CB 3.46Å; R988-L992 WeakPolarHBondContact O-CG 3.47Å; R988-L992 PolarHBondContact O-N 3.15Å; R988-L992 VanDerWaalsContact O-N 3.08Å |
| 989 | R | 85.7 | Confident | 85.2 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 172.1 | -176.9 | -176.7 | 72.3 | 171 | -8.8 | 110.2 | F956 W985 I986 L992 R993 F1017 L1018 Q1020 D1021 | F956-R989 HydrophobicContact CE1-CB 3.95Å; F956-R989 HydrophobicContact CE1-CG 4.49Å; F956-R989 HydrophobicContact CZ-CB 3.91Å; F956-R989 HydrophobicContact CZ-CG 4.07Å; W985-R989 WeakPolarHBondContact O-CB 3.26Å; W985-R989 PolarHBondContact O-N 2.88Å; I986-R989 WeakPolarHBondContact O-CB 3.34Å; I986-R989 PolarHBondContact O-N 2.84Å; R989-L992 PolarHBondContact O-N 3.22Å; R989-R993 HydrophobicContact CG-CG 4.47Å; R989-R993 WeakPolarHBondContact O-CB 3.49Å; R989-R993 WeakPolarHBondContact O-CG 3.39Å; R989-R993 PolarHBondContact O-N 3.13Å; R989-F1017 HydrophobicContact CB-CE2 4.2Å; R989-F1017 HydrophobicContact CG-CD2 4.14Å; R989-F1017 HydrophobicContact CG-CE2 4.12Å; R989-L1018 HydrophobicContact CG-CD2 4.08Å; R989-Q1020 PolarHBondContact NH1-O 2.89Å; R989-D1021 PolarHBondContact NH1-OXT 3.26Å |
| 990 | D | 84.3 | Confident | 85.2 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.5 | -36.9 | -173 | -64.1 | -13.2 | 0 | 0 | 0 | 111.5 | I986 E987 R993 Q994 | I986-D990 PolarHBondContact O-N 3.09Å; E987-D990 PolarHBondContact O-N 3.03Å; D990-R993 WeakPolarHBondContact O-CB 3.47Å; D990-R993 PolarHBondContact O-N 3.36Å; D990-Q994 PolarHBondContact O-N 3.42Å |
| 991 | F | 84.6 | Confident | 85 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 23% | 0.232 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 167.6 | 176.8 | -102.2 | 0 | 0 | 0 | 112.7 | L945 W947 E987 Q994 K995 | L945-F991 HydrophobicContact CD2-CD2 4.02Å; L945-F991 HydrophobicContact CD2-CE2 4.14Å; L945-F991 HydrophobicContact CD2-CG 4.43Å; W947-F991 HydrophobicContact CH2-CB 4.35Å; W947-F991 HydrophobicContact CZ2-CB 4.25Å; W947-F991 AromaticContact CZ2-CD1 3.96Å; W947-F991 HydrophobicContact CZ2-CD1 3.96Å; W947-F991 HydrophobicContact CZ2-CG 4.18Å; E987-F991 WeakPolarHBondContact O-CB 3.34Å; E987-F991 PolarHBondContact O-N 2.9Å; F991-Q994 PolarHBondContact O-N 3.4Å; F991-K995 HydrophobicContact CE1-CD 4.08Å; F991-K995 HydrophobicContact CZ-CD 4.36Å; F991-K995 PolarHBondContact O-N 3.23Å |
| 992 | L | 84.8 | Confident | 84.6 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.8 | -32.9 | 177 | -72.9 | 173.3 | 0 | 0 | 0 | 112.7 | F936 R988 R989 K995 L996 Y1015 F1017 L1018 | F936-L992 HydrophobicContact CB-CD2 3.95Å; F936-L992 HydrophobicContact CD1-CD2 3.87Å; F936-L992 HydrophobicContact CG-CD2 4.26Å; R988-L992 HydrophobicContact CG-CD1 4.34Å; R988-L992 WeakPolarHBondContact O-CB 3.46Å; R988-L992 WeakPolarHBondContact O-CG 3.47Å; R988-L992 PolarHBondContact O-N 3.15Å; R988-L992 VanDerWaalsContact O-N 3.08Å; R989-L992 PolarHBondContact O-N 3.22Å; L992-K995 PolarHBondContact O-N 2.92Å; L992-L996 PolarHBondContact O-N 2.61Å; L992-Y1015 HydrophobicContact CD1-CD1 4.3Å; L992-Y1015 HydrophobicContact CD1-CE1 4.4Å; L992-F1017 HydrophobicContact CD1-CZ 4.02Å; L992-L1018 HydrophobicContact CB-CD1 4.05Å; L992-L1018 HydrophobicContact CB-CD2 3.47Å; L992-L1018 VanDerWaalsContact CB-CD2 3.47Å; L992-L1018 HydrophobicContact CB-CG 4.41Å; L992-L1018 HydrophobicContact CD1-CD2 4.33Å |
| 993 | R | 84.8 | Confident | 84.1 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 169.6 | -78.2 | 175.5 | 160.3 | -159.2 | -14.4 | 111.5 | R989 D990 L996 A997 L1018 Q1020 D1021 | R989-R993 HydrophobicContact CG-CG 4.47Å; R989-R993 WeakPolarHBondContact O-CB 3.49Å; R989-R993 WeakPolarHBondContact O-CG 3.39Å; R989-R993 PolarHBondContact O-N 3.13Å; D990-R993 WeakPolarHBondContact O-CB 3.47Å; D990-R993 PolarHBondContact O-N 3.36Å; R993-L996 WeakPolarHBondContact O-CB 3.3Å; R993-L996 PolarHBondContact O-N 3.41Å; R993-A997 PolarHBondContact O-N 3.15Å; R993-L1018 HydrophobicContact CG-CB 4.41Å; R993-L1018 HydrophobicContact CG-CD2 4.2Å; R993-L1018 PolarHBondContact NE-O 3.29Å; R993-L1018 PolarHBondContact NH2-O 2.91Å; R993-Q1020 PolarHBondContact NH2-O 2.78Å; R993-Q1020 VanDerWaalsContact NH2-O 3.08Å; R993-D1021 IonicContact CZ-OD1 2.65Å; R993-D1021 IonicContact NH1-OD1 2.87Å; R993-D1021 PolarHBondContact NH1-OD1 3.34Å; R993-D1021 IonicContact NH2-OD1 3.24Å; R993-D1021 PolarHBondContact NH2-OD1 3.05Å |
| 994 | Q | 83.6 | Confident | 83.7 | Confident | 143 Ų | 143 | 59.3 Ų | 59.3 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.9 | -40.1 | 174.2 | -166.6 | 179.5 | 11.6 | 0 | 0 | 112.1 | D990 F991 A997 K998 | D990-Q994 PolarHBondContact O-N 3.42Å; F991-Q994 PolarHBondContact O-N 3.4Å; Q994-A997 PolarHBondContact O-N 2.95Å; Q994-K998 PolarHBondContact O-N 3.37Å; Q994-K998 VanDerWaalsContact O-N 3.12Å |
| 995 | K | 83.7 | Confident | 83.4 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 171.9 | -79.6 | -168.5 | 169.8 | -177.5 | 0 | 113 | F936 S937 F991 L992 A997 K998 A999 | F936-K995 HydrophobicContact CD1-CB 4.48Å; S937-K995 PolarHBondContact O-NZ 2.8Å; F991-K995 HydrophobicContact CE1-CD 4.08Å; F991-K995 HydrophobicContact CZ-CD 4.36Å; F991-K995 PolarHBondContact O-N 3.23Å; L992-K995 PolarHBondContact O-N 2.92Å; K995-A997 VanDerWaalsContact C-N 3.32Å; K995-A997 PolarHBondContact O-N 2.99Å; K995-K998 PolarHBondContact O-N 2.96Å; K995-A999 VanDerWaalsContact O-CB 3.28Å; K995-A999 WeakPolarHBondContact O-CB 3.21Å; K995-A999 PolarHBondContact O-N 3.11Å |
| 996 | L | 84.7 | Confident | 82.7 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 174.3 | -177.5 | 79.5 | 0 | 0 | 0 | 111.3 | F936 L992 R993 A999 R1000 I1005 F1012 | F936-L996 HydrophobicContact CE1-CB 4.21Å; F936-L996 HydrophobicContact CE1-CD1 4.34Å; F936-L996 HydrophobicContact CZ-CD1 3.87Å; L992-L996 PolarHBondContact O-N 2.61Å; R993-L996 WeakPolarHBondContact O-CB 3.3Å; R993-L996 PolarHBondContact O-N 3.41Å; L996-A999 PolarHBondContact O-N 3.16Å; L996-R1000 PolarHBondContact O-N 3.47Å; L996-I1005 HydrophobicContact CD1-CD1 4Å; L996-F1012 HydrophobicContact CD1-CD1 4.42Å; L996-F1012 HydrophobicContact CD1-CE1 3.86Å; L996-F1012 HydrophobicContact CD1-CE2 4.19Å; L996-F1012 HydrophobicContact CD1-CZ 3.73Å |
| 997 | A | 83.8 | Confident | 82 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 49% | 0.488 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -52.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | R993 Q994 K995 A999 R1000 E1001 | R993-A997 PolarHBondContact O-N 3.15Å; Q994-A997 PolarHBondContact O-N 2.95Å; K995-A997 VanDerWaalsContact C-N 3.32Å; K995-A997 PolarHBondContact O-N 2.99Å; A997-A999 VanDerWaalsContact C-N 3.28Å; A997-A999 PolarHBondContact O-N 2.74Å; A997-R1000 PolarHBondContact O-N 3.23Å; A997-R1000 VanDerWaalsContact O-N 3.17Å; A997-E1001 PolarHBondContact O-N 2.61Å |
| 998 | K | 82.7 | Confident | 81.4 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.8 | -41.5 | 175.1 | -176.4 | 179.5 | 173.2 | -174.9 | 0 | 111.6 | E941 Q994 K995 E1001 D1002 | E941-K998 IonicContact OE1-NZ 2.77Å; E941-K998 PolarHBondContact OE1-NZ 2.83Å; E941-K998 IonicContact OE2-NZ 2.69Å; E941-K998 PolarHBondContact OE2-NZ 3.08Å; Q994-K998 PolarHBondContact O-N 3.37Å; Q994-K998 VanDerWaalsContact O-N 3.12Å; K995-K998 PolarHBondContact O-N 2.96Å; K998-E1001 PolarHBondContact O-N 3.37Å; K998-D1002 WeakPolarHBondContact O-CB 3.31Å; K998-D1002 PolarHBondContact O-N 3.47Å |
| 999 | A | 82.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.8 | -28.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V935 K995 L996 A997 M1003 L1004 I1005 | V935-A999 HydrophobicContact CG1-CB 3.41Å; V935-A999 VanDerWaalsContact CG1-CB 3.41Å; K995-A999 VanDerWaalsContact O-CB 3.28Å; K995-A999 WeakPolarHBondContact O-CB 3.21Å; K995-A999 PolarHBondContact O-N 3.11Å; L996-A999 PolarHBondContact O-N 3.16Å; A997-A999 VanDerWaalsContact C-N 3.28Å; A997-A999 PolarHBondContact O-N 2.74Å; A999-M1003 PolarHBondContact O-N 3.43Å; A999-L1004 WeakPolarHBondContact O-CA 3.43Å; A999-L1004 PolarHBondContact O-N 2.99Å; A999-I1005 HydrophobicContact CB-CD1 3.96Å; A999-I1005 HydrophobicContact CB-CG1 4.22Å; A999-I1005 PolarHBondContact O-N 3.3Å |
| 1000 | R | 83 | Confident | 80.3 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -74.9 | -38.2 | 169.7 | -79.6 | 179.1 | 168 | 166.4 | -2.4 | 111.5 | L996 A997 M1003 I1005 P1007 E1009 | L996-R1000 PolarHBondContact O-N 3.47Å; A997-R1000 PolarHBondContact O-N 3.23Å; A997-R1000 VanDerWaalsContact O-N 3.17Å; R1000-M1003 PolarHBondContact O-N 2.83Å; R1000-M1003 VanDerWaalsContact O-N 3.13Å; R1000-I1005 HydrophobicContact CG-CB 4.19Å; R1000-I1005 HydrophobicContact CG-CG2 3.91Å; R1000-P1007 VanDerWaalsContact CZ-O 3.32Å; R1000-P1007 PolarHBondContact NE-O 3.49Å; R1000-P1007 PolarHBondContact NH2-O 2.99Å; R1000-P1007 VanDerWaalsContact NH2-O 3.16Å; R1000-E1009 PolarHBondContact NH2-O 3.2Å |
| 1001 | E | 81.1 | Confident | 79.8 | Confident | 167 Ų | 167 | 68.9 Ų | 68.9 | 78% | 0.78 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 173.8 | -173.5 | 175.8 | -163.7 | 0 | 0 | 112.1 | A997 K998 M1003 | A997-E1001 PolarHBondContact O-N 2.61Å; K998-E1001 PolarHBondContact O-N 3.37Å; E1001-M1003 PolarHBondContact O-N 3.35Å |
| 1002 | D | 77.5 | Confident | 79.3 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 1.1 | 173.1 | -83.5 | -39.9 | 0 | 0 | 0 | 113.9 | K998 L1004 | K998-D1002 WeakPolarHBondContact O-CB 3.31Å; K998-D1002 PolarHBondContact O-N 3.47Å; D1002-L1004 HydrophobicContact CB-CD1 3.73Å; D1002-L1004 HydrophobicContact CB-CG 3.91Å; D1002-L1004 PolarHBondContact O-N 3.04Å |
| 1003 | M | 77.6 | Confident | 78.8 | Confident | 115 Ų | 115 | 68 Ų | 68 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30 | -175.1 | -60.8 | -70.3 | -74.9 | 0 | 0 | 114.1 | A999 R1000 E1001 | A999-M1003 PolarHBondContact O-N 3.43Å; R1000-M1003 PolarHBondContact O-N 2.83Å; R1000-M1003 VanDerWaalsContact O-N 3.13Å; E1001-M1003 PolarHBondContact O-N 3.35Å |
| 1004 | L | 78.3 | Confident | 78.2 | Confident | 18 Ų | 18 | 69.5 Ų | 69.5 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -93.3 | -8.9 | 178.3 | -66.7 | 170.4 | 0 | 0 | 0 | 113.2 | L911 W922 H931 A999 D1002 | L911-L1004 HydrophobicContact CD1-CD1 3.86Å; L911-L1004 HydrophobicContact CG-CD1 4.07Å; W922-L1004 HydrophobicContact CH2-CD2 4.41Å; H931-L1004 PolarHBondContact NE2-O 3.07Å; A999-L1004 WeakPolarHBondContact O-CA 3.43Å; A999-L1004 PolarHBondContact O-N 2.99Å; D1002-L1004 HydrophobicContact CB-CD1 3.73Å; D1002-L1004 HydrophobicContact CB-CG 3.91Å; D1002-L1004 PolarHBondContact O-N 3.04Å |
| 1005 | I | 82.1 | Confident | 77.9 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -134.7 | 140.4 | 170.1 | -75.3 | 178.9 | 0 | 0 | 0 | 106.7 | V935 F936 L996 A999 R1000 F1012 | V935-I1005 HydrophobicContact CB-CD1 4.42Å; V935-I1005 HydrophobicContact CG1-CD1 3.91Å; V935-I1005 HydrophobicContact CG2-CD1 4.44Å; V935-I1005 HydrophobicContact CG2-CG1 4.47Å; F936-I1005 HydrophobicContact CZ-CD1 4.09Å; L996-I1005 HydrophobicContact CD1-CD1 4Å; A999-I1005 HydrophobicContact CB-CD1 3.96Å; A999-I1005 HydrophobicContact CB-CG1 4.22Å; A999-I1005 PolarHBondContact O-N 3.3Å; R1000-I1005 HydrophobicContact CG-CB 4.19Å; R1000-I1005 HydrophobicContact CG-CG2 3.91Å; I1005-F1012 HydrophobicContact CD1-CE1 4.08Å; I1005-F1012 HydrophobicContact CG2-CE1 3.64Å; I1005-F1012 HydrophobicContact CG2-CZ 3.93Å |
| 1006 | M | 75.1 | Confident | 77.6 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 28% | 0.281 | 34% | 0.341 | S | S | . | . | trans | -67.4 | 140.3 | 178.4 | -70.3 | -67.8 | -72.7 | 0 | 0 | 110.9 | Q923 I926 D1008 E1009 | Q923-M1006 HydrophobicContact CG-SD 4.35Å; I926-M1006 HydrophobicContact CD1-CG 3.65Å; I926-M1006 HydrophobicContact CD1-SD 3.71Å; I926-M1006 HydrophobicContact CG1-CG 4.21Å; M1006-D1008 VanDerWaalsContact C-N 3.28Å; M1006-D1008 PolarHBondContact O-N 3.37Å; M1006-E1009 HydrophobicContact CB-CB 4Å; M1006-E1009 WeakPolarHBondContact O-CB 3.09Å; M1006-E1009 PolarHBondContact O-N 2.97Å | ||
| 1007 | P | 71.4 | Confident | 77.2 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -43.4 | 177.2 | -27.4 | 35.7 | 0 | 0 | 0 | 112.9 | R1000 E1009 | R1000-P1007 VanDerWaalsContact CZ-O 3.32Å; R1000-P1007 PolarHBondContact NE-O 3.49Å; R1000-P1007 PolarHBondContact NH2-O 2.99Å; R1000-P1007 VanDerWaalsContact NH2-O 3.16Å; P1007-E1009 VanDerWaalsContact C-N 3.3Å; P1007-E1009 PolarHBondContact O-N 3.48Å |
| 1008 | D | 72.3 | Confident | 76.8 | Confident | 140 Ų | 140 | 62.1 Ų | 62.1 | 75% | 0.749 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.1 | -175.7 | -48 | -48.6 | 0 | 0 | 0 | 113.8 | M1006 L1010 | M1006-D1008 VanDerWaalsContact C-N 3.28Å; M1006-D1008 PolarHBondContact O-N 3.37Å; D1008-L1010 PolarHBondContact O-N 3.49Å |
| 1009 | E | 75.3 | Confident | 76.2 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | trans | -74.8 | 122.5 | -179.8 | -173.4 | 158.1 | -126.3 | 0 | 0 | 111.1 | S927 K932 R1000 M1006 P1007 F1012 | S927-E1009 WeakPolarHBondContact CA-OE1 3.43Å; S927-E1009 VanDerWaalsContact CB-OE1 3.3Å; S927-E1009 WeakPolarHBondContact CB-OE1 3.28Å; K932-E1009 WeakPolarHBondContact CE-OE1 3.41Å; K932-E1009 WeakPolarHBondContact CE-OE2 3.15Å; K932-E1009 IonicContact NZ-OE1 2.81Å; K932-E1009 PolarHBondContact NZ-OE1 3.41Å; K932-E1009 IonicContact NZ-OE2 2.72Å; R1000-E1009 PolarHBondContact NH2-O 3.2Å; M1006-E1009 HydrophobicContact CB-CB 4Å; M1006-E1009 WeakPolarHBondContact O-CB 3.09Å; M1006-E1009 PolarHBondContact O-N 2.97Å; P1007-E1009 VanDerWaalsContact C-N 3.3Å; P1007-E1009 PolarHBondContact O-N 3.48Å; E1009-F1012 HydrophobicContact CB-CE1 4.44Å; E1009-F1012 HydrophobicContact CB-CZ 4.1Å; E1009-F1012 HydrophobicContact CG-CE1 4Å; E1009-F1012 HydrophobicContact CG-CZ 4Å; E1009-F1012 WeakPolarHBondContact O-CE2 3.5Å; E1009-F1012 WeakPolarHBondContact O-CZ 3.2Å | ||
| 1010 | L | 72.7 | Confident | 75.4 | Confident | 127 Ų | 127 | 65 Ų | 65 | 67% | 0.665 | 33% | 0.334 | S | S | * | . | trans | -116.3 | 0 | -177.9 | -63.6 | 175.6 | 0 | 0 | 0 | 113.3 | D1008 N1016 L1019 | D1008-L1010 PolarHBondContact O-N 3.49Å; L1010-N1016 PolarHBondContact O-OD1 3.35Å; L1010-L1019 HydrophobicContact CB-CD1 4.32Å; L1010-L1019 HydrophobicContact CD2-CD1 4.18Å; L1010-L1019 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1011 | D | 73.8 | Confident | 74.2 | Confident | 97 Ų | 97 | 70.2 Ų | 70.2 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | trans | -118 | 111 | 174.5 | -176.7 | 28 | 0 | 0 | 0 | 112.2 | K932 G1013 N1016 | K932-D1011 PolarHBondContact NZ-O 3.05Å; D1011-G1013 PolarHBondContact OD1-N 3.17Å; D1011-N1016 WeakPolarHBondContact CA-OD1 3.45Å; D1011-N1016 PolarHBondContact OD1-ND2 3.05Å; D1011-N1016 PolarHBondContact OD1-OD1 2.73Å | ||
| 1012 | F | 73.7 | Confident | 73.8 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -116.5 | 16.2 | 174.8 | -54.6 | -76.9 | 0 | 0 | 0 | 111.9 | K932 F936 L996 I1005 E1009 K1014 Y1015 N1016 L1019 | K932-F1012 HydrophobicContact CD-CD1 4.25Å; F936-F1012 HydrophobicContact CE2-CD1 4.36Å; F936-F1012 HydrophobicContact CZ-CD1 4.46Å; L996-F1012 HydrophobicContact CD1-CD1 4.42Å; L996-F1012 HydrophobicContact CD1-CE1 3.86Å; L996-F1012 HydrophobicContact CD1-CE2 4.19Å; L996-F1012 HydrophobicContact CD1-CZ 3.73Å; I1005-F1012 HydrophobicContact CD1-CE1 4.08Å; I1005-F1012 HydrophobicContact CG2-CE1 3.64Å; I1005-F1012 HydrophobicContact CG2-CZ 3.93Å; E1009-F1012 HydrophobicContact CB-CE1 4.44Å; E1009-F1012 HydrophobicContact CB-CZ 4.1Å; E1009-F1012 HydrophobicContact CG-CE1 4Å; E1009-F1012 HydrophobicContact CG-CZ 4Å; E1009-F1012 WeakPolarHBondContact O-CE2 3.5Å; E1009-F1012 WeakPolarHBondContact O-CZ 3.2Å; F1012-K1014 PolarHBondContact O-N 2.75Å; F1012-K1014 VanDerWaalsContact O-N 3.17Å; F1012-Y1015 PolarHBondContact O-N 2.67Å; F1012-N1016 PolarHBondContact N-OD1 2.83Å; F1012-L1019 HydrophobicContact CD2-CD1 3.98Å; F1012-L1019 HydrophobicContact CD2-CG 4.27Å; F1012-L1019 HydrophobicContact CE2-CD1 3.99Å; F1012-L1019 HydrophobicContact CE2-CD2 4.16Å; F1012-L1019 HydrophobicContact CE2-CG 4.32Å | ||
| 1013 | G | 75.9 | Confident | 73.6 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | 54.8 | -116.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1011 Y1015 N1016 | D1011-G1013 PolarHBondContact OD1-N 3.17Å; G1013-Y1015 PolarHBondContact O-N 2.96Å; G1013-N1016 PolarHBondContact N-ND2 2.97Å; G1013-N1016 VanDerWaalsContact O-CB 3.29Å; G1013-N1016 WeakPolarHBondContact O-CB 3.32Å; G1013-N1016 VanDerWaalsContact O-CG 3.25Å; G1013-N1016 PolarHBondContact O-N 3.5Å; G1013-N1016 PolarHBondContact O-ND2 3.31Å |
| 1014 | K | 71.8 | Confident | 73.4 | Confident | 95 Ų | 95 | 61.1 Ų | 61.1 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -60.7 | -11.8 | 176.7 | 70.2 | -165.6 | 170.6 | -138.1 | 0 | 115.1 | D933 F1012 F1017 | D933-K1014 WeakPolarHBondContact OD1-CE 3.44Å; D933-K1014 IonicContact OD1-NZ 2.69Å; D933-K1014 PolarHBondContact OD1-NZ 2.95Å; D933-K1014 IonicContact OD2-NZ 2.73Å; D933-K1014 PolarHBondContact OD2-NZ 3.43Å; F1012-K1014 PolarHBondContact O-N 2.75Å; F1012-K1014 VanDerWaalsContact O-N 3.17Å; K1014-F1017 VanDerWaalsContact O-CD1 3.28Å; K1014-F1017 WeakPolarHBondContact O-CD1 2.81Å; K1014-F1017 VanDerWaalsContact O-CE1 3.29Å; K1014-F1017 WeakPolarHBondContact O-CE1 3.26Å |
| 1015 | Y | 77.3 | Confident | 73.1 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 9% | 0.09 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -101.7 | 9.1 | 174 | -53.7 | -83.3 | 0 | 0 | 0 | 113.5 | F936 F951 L992 F1012 G1013 F1017 L1018 | F936-Y1015 HydrophobicContact CB-CD1 4.37Å; F936-Y1015 HydrophobicContact CB-CE1 3.74Å; F936-Y1015 HydrophobicContact CB-CE2 4.24Å; F936-Y1015 HydrophobicContact CD2-CD1 4.06Å; F936-Y1015 AromaticContact CD2-CD2 3.56Å; F936-Y1015 HydrophobicContact CD2-CD2 3.56Å; F936-Y1015 HydrophobicContact CD2-CE1 4.11Å; F936-Y1015 AromaticContact CD2-CE2 3.62Å; F936-Y1015 HydrophobicContact CD2-CE2 3.62Å; F936-Y1015 AromaticContact CD2-CG 3.79Å; F936-Y1015 HydrophobicContact CD2-CG 3.79Å; F936-Y1015 AromaticContact CD2-CZ 3.91Å; F936-Y1015 AromaticContact CE2-CD2 3.96Å; F936-Y1015 HydrophobicContact CE2-CD2 3.96Å; F936-Y1015 HydrophobicContact CE2-CE2 4.45Å; F936-Y1015 HydrophobicContact CE2-CG 4.06Å; F936-Y1015 HydrophobicContact CG-CD1 4.18Å; F936-Y1015 HydrophobicContact CG-CD2 4.42Å; F936-Y1015 HydrophobicContact CG-CE1 4.04Å; F936-Y1015 HydrophobicContact CG-CE2 4.29Å; F936-Y1015 HydrophobicContact CG-CG 4.37Å; F951-Y1015 AromaticContact CE2-CE1 3.97Å; F951-Y1015 HydrophobicContact CE2-CE1 3.97Å; F951-Y1015 AromaticContact CZ-CD1 3.88Å; F951-Y1015 HydrophobicContact CZ-CD1 3.88Å; F951-Y1015 AromaticContact CZ-CE1 3.68Å; F951-Y1015 HydrophobicContact CZ-CE1 3.68Å; L992-Y1015 HydrophobicContact CD1-CD1 4.3Å; L992-Y1015 HydrophobicContact CD1-CE1 4.4Å; F1012-Y1015 PolarHBondContact O-N 2.67Å; G1013-Y1015 PolarHBondContact O-N 2.96Å; Y1015-F1017 HydrophobicContact CD1-CE1 4.38Å; Y1015-F1017 PolarHBondContact O-N 2.76Å; Y1015-F1017 VanDerWaalsContact O-N 3.07Å; Y1015-L1018 WeakPolarHBondContact O-CB 3.5Å; Y1015-L1018 VanDerWaalsContact O-CG 3.24Å; Y1015-L1018 WeakPolarHBondContact O-CG 3.2Å; Y1015-L1018 PolarHBondContact O-N 3.49Å |
| 1016 | N | 77.6 | Confident | 72.6 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -59.6 | -21.1 | 178.9 | -79.9 | -24.9 | 0 | 0 | 0 | 113.9 | L1010 D1011 F1012 G1013 L1018 L1019 | L1010-N1016 PolarHBondContact O-OD1 3.35Å; D1011-N1016 WeakPolarHBondContact CA-OD1 3.45Å; D1011-N1016 PolarHBondContact OD1-ND2 3.05Å; D1011-N1016 PolarHBondContact OD1-OD1 2.73Å; F1012-N1016 PolarHBondContact N-OD1 2.83Å; G1013-N1016 PolarHBondContact N-ND2 2.97Å; G1013-N1016 VanDerWaalsContact O-CB 3.29Å; G1013-N1016 WeakPolarHBondContact O-CB 3.32Å; G1013-N1016 VanDerWaalsContact O-CG 3.25Å; G1013-N1016 PolarHBondContact O-N 3.5Å; G1013-N1016 PolarHBondContact O-ND2 3.31Å; N1016-L1018 PolarHBondContact O-N 3.12Å; N1016-L1019 PolarHBondContact O-N 3.37Å; N1016-L1019 VanDerWaalsContact O-N 3.09Å |
| 1017 | F | 75.3 | Confident | 72.4 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 5% | 0.053 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -61.5 | -18.6 | 171.6 | 75.2 | -101.9 | 0 | 0 | 0 | 113.7 | F951 P952 F956 R989 L992 K1014 Y1015 L1019 Q1020 | F951-F1017 AromaticContact CE1-CE1 3.67Å; F951-F1017 HydrophobicContact CE1-CE1 3.67Å; F951-F1017 HydrophobicContact CE1-CZ 4.4Å; F951-F1017 AromaticContact CZ-CE1 3.71Å; F951-F1017 HydrophobicContact CZ-CE1 3.71Å; F951-F1017 HydrophobicContact CZ-CZ 4.13Å; P952-F1017 HydrophobicContact CB-CE1 4.48Å; P952-F1017 HydrophobicContact CB-CE2 4.33Å; P952-F1017 HydrophobicContact CB-CZ 4.24Å; P952-F1017 HydrophobicContact CG-CE2 4.46Å; P952-F1017 HydrophobicContact CG-CZ 4.28Å; F956-F1017 HydrophobicContact CE2-CB 4.03Å; F956-F1017 AromaticContact CE2-CD2 3.72Å; F956-F1017 HydrophobicContact CE2-CD2 3.72Å; F956-F1017 HydrophobicContact CE2-CG 4.2Å; F956-F1017 AromaticContact CZ-CD2 3.48Å; F956-F1017 HydrophobicContact CZ-CD2 3.48Å; F956-F1017 VanDerWaalsContact CZ-CD2 3.48Å; F956-F1017 AromaticContact CZ-CE2 3.95Å; F956-F1017 HydrophobicContact CZ-CE2 3.95Å; F956-F1017 HydrophobicContact CZ-CG 4.25Å; R989-F1017 HydrophobicContact CB-CE2 4.2Å; R989-F1017 HydrophobicContact CG-CD2 4.14Å; R989-F1017 HydrophobicContact CG-CE2 4.12Å; L992-F1017 HydrophobicContact CD1-CZ 4.02Å; K1014-F1017 VanDerWaalsContact O-CD1 3.28Å; K1014-F1017 WeakPolarHBondContact O-CD1 2.81Å; K1014-F1017 VanDerWaalsContact O-CE1 3.29Å; K1014-F1017 WeakPolarHBondContact O-CE1 3.26Å; Y1015-F1017 HydrophobicContact CD1-CE1 4.38Å; Y1015-F1017 PolarHBondContact O-N 2.76Å; Y1015-F1017 VanDerWaalsContact O-N 3.07Å; F1017-L1019 PolarHBondContact O-N 3.12Å; F1017-Q1020 PolarHBondContact O-N 2.99Å |
| 1018 | L | 75.8 | Confident | 72.5 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -65.9 | -25.2 | 173.8 | -60.7 | 179 | 0 | 0 | 0 | 112.3 | F936 R989 L992 R993 Y1015 N1016 Q1020 | F936-L1018 HydrophobicContact CD1-CD1 4.5Å; F936-L1018 HydrophobicContact CE1-CD1 3.86Å; F936-L1018 HydrophobicContact CZ-CD1 3.99Å; R989-L1018 HydrophobicContact CG-CD2 4.08Å; L992-L1018 HydrophobicContact CB-CD1 4.05Å; L992-L1018 HydrophobicContact CB-CD2 3.47Å; L992-L1018 VanDerWaalsContact CB-CD2 3.47Å; L992-L1018 HydrophobicContact CB-CG 4.41Å; L992-L1018 HydrophobicContact CD1-CD2 4.33Å; R993-L1018 HydrophobicContact CG-CB 4.41Å; R993-L1018 HydrophobicContact CG-CD2 4.2Å; R993-L1018 PolarHBondContact NE-O 3.29Å; R993-L1018 PolarHBondContact NH2-O 2.91Å; Y1015-L1018 WeakPolarHBondContact O-CB 3.5Å; Y1015-L1018 VanDerWaalsContact O-CG 3.24Å; Y1015-L1018 WeakPolarHBondContact O-CG 3.2Å; Y1015-L1018 PolarHBondContact O-N 3.49Å; N1016-L1018 PolarHBondContact O-N 3.12Å; L1018-Q1020 VanDerWaalsContact C-N 3.33Å |
| 1019 | L | 70.9 | Confident | 72.5 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -88.8 | 1.6 | 178.1 | -56.3 | 179 | 0 | 0 | 0 | 113.2 | L1010 F1012 N1016 F1017 | L1010-L1019 HydrophobicContact CB-CD1 4.32Å; L1010-L1019 HydrophobicContact CD2-CD1 4.18Å; L1010-L1019 WeakPolarHBondContact O-CD1 3.4Å; F1012-L1019 HydrophobicContact CD2-CD1 3.98Å; F1012-L1019 HydrophobicContact CD2-CG 4.27Å; F1012-L1019 HydrophobicContact CE2-CD1 3.99Å; F1012-L1019 HydrophobicContact CE2-CD2 4.16Å; F1012-L1019 HydrophobicContact CE2-CG 4.32Å; N1016-L1019 PolarHBondContact O-N 3.37Å; N1016-L1019 VanDerWaalsContact O-N 3.09Å; F1017-L1019 PolarHBondContact O-N 3.12Å |
| 1020 | Q | 65.8 | Low | 72.2 | Confident | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | trans | -108.8 | 129.1 | 179.1 | -59 | 179.1 | 6.1 | 0 | 0 | 109.7 | A954 R989 R993 F1017 L1018 | A954-Q1020 PolarHBondContact O-OE1 3.07Å; R989-Q1020 PolarHBondContact NH1-O 2.89Å; R993-Q1020 PolarHBondContact NH2-O 2.78Å; R993-Q1020 VanDerWaalsContact NH2-O 3.08Å; F1017-Q1020 PolarHBondContact O-N 2.99Å; L1018-Q1020 VanDerWaalsContact C-N 3.33Å | ||
| 1021 | D | 56.5 | Low | 72.2 | Confident | 178 Ų | 178 | 60.5 Ų | 60.5 | 95% | 0.952 | 32% | 0.321 | S | S | * | . | trans | -89.9 | 0 | -179.8 | -75.5 | -38.1 | 0 | 0 | 0 | 113.4 | R989 R993 | R989-D1021 PolarHBondContact NH1-OXT 3.26Å; R993-D1021 IonicContact CZ-OD1 2.65Å; R993-D1021 IonicContact NH1-OD1 2.87Å; R993-D1021 PolarHBondContact NH1-OD1 3.34Å; R993-D1021 IonicContact NH2-OD1 3.24Å; R993-D1021 PolarHBondContact NH2-OD1 3.05Å |
Retrieved 1,021 of 1,021 residues in 1644.3 ms
(Link to these results)