| 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 | 66.1 | Low | 90 | Very high | 239 Ų | 239 | 103.9 Ų | 103.9 | 100% | 1.177 | 53% | 0.531 | S | S | * | . | 0 | 136.8 | 0 | -68.1 | 173 | -172.9 | 0 | 0 | 107 | |||||
| 2 | S | 76.7 | Confident | 90.5 | Very high | 118 Ų | 118 | 99.3 Ų | 99.3 | 83% | 0.825 | 51% | 0.509 | S | S | * | . | trans | -62.7 | 137.2 | 173.5 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | N | 88 | Confident | 91 | Very high | 65 Ų | 65 | 103.8 Ų | 103.8 | 35% | 0.348 | 52% | 0.522 | S | S | . | . | trans | -93.1 | 133.8 | -179.5 | 178.5 | -3.7 | 0 | 0 | 0 | 110.3 | Q5 E6 W7 | N3-Q5 PolarHBondContact O-N 2.95Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.42Å; N3-Q5 PolarHBondContact OD1-N 2.91Å; N3-E6 HydrophobicContact CB-CB 4.22Å; N3-E6 HydrophobicContact CB-CG 3.89Å; N3-E6 WeakPolarHBondContact O-CB 3.32Å; N3-E6 PolarHBondContact O-N 2.98Å; N3-W7 PolarHBondContact O-N 2.98Å; N3-W7 VanDerWaalsContact O-N 3.07Å | ||
| 4 | V | 92.6 | Very high | 91.3 | Very high | 72 Ų | 72 | 104.6 Ų | 104.6 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.2 | -34.8 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | W7 Q8 T40 | V4-W7 PolarHBondContact O-N 3.05Å; V4-Q8 WeakPolarHBondContact O-CB 3.39Å; V4-Q8 PolarHBondContact O-N 3.23Å; V4-T40 HydrophobicContact CG2-CG2 3.9Å |
| 5 | Q | 93.5 | Very high | 91.7 | Very high | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -39.5 | 176.5 | -63.4 | 176.4 | -12.9 | 0 | 0 | 112.1 | N3 Q8 Q9 | N3-Q5 PolarHBondContact O-N 2.95Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.42Å; N3-Q5 PolarHBondContact OD1-N 2.91Å; Q5-Q8 PolarHBondContact O-N 3.33Å; Q5-Q9 VanDerWaalsContact O-CG 3.29Å; Q5-Q9 WeakPolarHBondContact O-CG 3.38Å; Q5-Q9 PolarHBondContact O-N 2.89Å |
| 6 | E | 94.6 | Very high | 91.8 | Very high | 117 Ų | 117 | 97.4 Ų | 97.4 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.6 | -69.7 | 172.3 | 175.1 | 0 | 0 | 110.8 | N3 Q9 L10 | N3-E6 HydrophobicContact CB-CB 4.22Å; N3-E6 HydrophobicContact CB-CG 3.89Å; N3-E6 WeakPolarHBondContact O-CB 3.32Å; N3-E6 PolarHBondContact O-N 2.98Å; E6-Q9 PolarHBondContact O-N 2.94Å; E6-L10 PolarHBondContact O-N 3.43Å |
| 7 | W | 95.7 | Very high | 91.8 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173 | 172.4 | 84.9 | 0 | 0 | 0 | 111.6 | N3 V4 Q9 L10 A11 V22 P37 L38 | N3-W7 PolarHBondContact O-N 2.98Å; N3-W7 VanDerWaalsContact O-N 3.07Å; V4-W7 PolarHBondContact O-N 3.05Å; W7-Q9 VanDerWaalsContact C-N 3.31Å; W7-Q9 PolarHBondContact O-N 3.32Å; W7-L10 PolarHBondContact O-N 3Å; W7-A11 HydrophobicContact CZ2-CB 4.19Å; W7-A11 WeakPolarHBondContact O-CB 3.27Å; W7-A11 PolarHBondContact O-N 3.35Å; W7-V22 HydrophobicContact CH2-CG1 3.78Å; W7-V22 HydrophobicContact CH2-CG2 4.23Å; W7-V22 HydrophobicContact CZ3-CG1 3.78Å; W7-V22 HydrophobicContact CZ3-CG2 4.29Å; W7-P37 HydrophobicContact CH2-CG 4.13Å; W7-L38 HydrophobicContact CD2-CD2 3.47Å; W7-L38 VanDerWaalsContact CD2-CD2 3.47Å; W7-L38 HydrophobicContact CE3-CD2 3.74Å; W7-L38 HydrophobicContact CG-CD2 3.91Å; W7-L38 HydrophobicContact CH2-CB 3.63Å; W7-L38 HydrophobicContact CH2-CD2 4.2Å; W7-L38 HydrophobicContact CZ2-CB 3.69Å; W7-L38 HydrophobicContact CZ2-CD2 3.97Å; W7-L38 HydrophobicContact CZ2-CG 4.4Å; W7-L38 HydrophobicContact CZ3-CB 4.09Å; W7-L38 HydrophobicContact CZ3-CD2 4.09Å |
| 8 | Q | 95.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 109.4 Ų | 109.4 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | -179.7 | -169.5 | 178.2 | 11 | 0 | 0 | 111.5 | V4 Q5 N12 V22 | V4-Q8 WeakPolarHBondContact O-CB 3.39Å; V4-Q8 PolarHBondContact O-N 3.23Å; Q5-Q8 PolarHBondContact O-N 3.33Å; Q8-N12 VanDerWaalsContact O-CB 3.26Å; Q8-N12 WeakPolarHBondContact O-CB 3.49Å; Q8-N12 PolarHBondContact O-N 2.91Å; Q8-N12 PolarHBondContact O-ND2 2.9Å; Q8-N12 VanDerWaalsContact O-ND2 3.09Å; Q8-V22 HydrophobicContact CG-CB 4.37Å; Q8-V22 HydrophobicContact CG-CG2 4.2Å |
| 9 | Q | 95.4 | Very high | 92 | Very high | 138 Ų | 138 | 114.3 Ų | 114.3 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -46.2 | 173.4 | -73.6 | 174 | 9 | 0 | 0 | 111.9 | Q5 E6 W7 K13 | Q5-Q9 VanDerWaalsContact O-CG 3.29Å; Q5-Q9 WeakPolarHBondContact O-CG 3.38Å; Q5-Q9 PolarHBondContact O-N 2.89Å; E6-Q9 PolarHBondContact O-N 2.94Å; W7-Q9 VanDerWaalsContact C-N 3.31Å; W7-Q9 PolarHBondContact O-N 3.32Å; Q9-K13 WeakPolarHBondContact O-CB 3.35Å; Q9-K13 PolarHBondContact O-N 2.98Å |
| 10 | L | 95.3 | Very high | 92.2 | Very high | 96 Ų | 96 | 114 Ų | 114 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 177.5 | 178.6 | 61.4 | 0 | 0 | 0 | 111.5 | E6 W7 N12 K13 E14 | E6-L10 PolarHBondContact O-N 3.43Å; W7-L10 PolarHBondContact O-N 3Å; L10-N12 PolarHBondContact O-N 3.38Å; L10-K13 WeakPolarHBondContact O-CB 3.35Å; L10-K13 PolarHBondContact O-N 2.66Å; L10-K13 VanDerWaalsContact O-N 3.12Å; L10-E14 WeakPolarHBondContact O-CG 3.4Å; L10-E14 PolarHBondContact O-N 3.02Å |
| 11 | A | 96.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 111.6 Ų | 111.6 | 11% | 0.107 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | W7 K13 E14 L15 V22 | W7-A11 HydrophobicContact CZ2-CB 4.19Å; W7-A11 WeakPolarHBondContact O-CB 3.27Å; W7-A11 PolarHBondContact O-N 3.35Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 3.36Å; A11-E14 PolarHBondContact O-N 2.93Å; A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 WeakPolarHBondContact O-CD1 3.42Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 2.84Å; A11-V22 HydrophobicContact CB-CG2 3.52Å |
| 12 | N | 96.7 | Very high | 93.7 | Very high | 49 Ų | 49 | 100.8 Ų | 100.8 | 26% | 0.262 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 175.1 | -79.8 | -38.8 | 0 | 0 | 0 | 112.3 | Q8 L10 E14 L15 S16 T21 V22 | Q8-N12 VanDerWaalsContact O-CB 3.26Å; Q8-N12 WeakPolarHBondContact O-CB 3.49Å; Q8-N12 PolarHBondContact O-N 2.91Å; Q8-N12 PolarHBondContact O-ND2 2.9Å; Q8-N12 VanDerWaalsContact O-ND2 3.09Å; L10-N12 PolarHBondContact O-N 3.38Å; N12-E14 VanDerWaalsContact C-N 3.34Å; N12-E14 PolarHBondContact O-N 2.94Å; N12-L15 PolarHBondContact O-N 3.39Å; N12-S16 PolarHBondContact O-N 3.45Å; N12-T21 VanDerWaalsContact OD1-CA 3.28Å; N12-T21 WeakPolarHBondContact OD1-CA 3.27Å; N12-V22 PolarHBondContact OD1-N 3.49Å |
| 13 | K | 96.3 | Very high | 94.5 | Very high | 157 Ų | 157 | 100.4 Ų | 100.4 | 68% | 0.683 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 174.2 | -176.3 | -179.7 | 178.2 | -178.8 | 0 | 111.5 | Q9 L10 A11 S16 | Q9-K13 WeakPolarHBondContact O-CB 3.35Å; Q9-K13 PolarHBondContact O-N 2.98Å; L10-K13 WeakPolarHBondContact O-CB 3.35Å; L10-K13 PolarHBondContact O-N 2.66Å; L10-K13 VanDerWaalsContact O-N 3.12Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 3.36Å; K13-S16 WeakPolarHBondContact O-CB 3.17Å; K13-S16 PolarHBondContact O-OG 3.1Å |
| 14 | E | 96.2 | Very high | 94.9 | Very high | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 176.4 | -68.9 | 177.8 | -178.7 | 0 | 0 | 112.7 | L10 A11 N12 S16 | L10-E14 WeakPolarHBondContact O-CG 3.4Å; L10-E14 PolarHBondContact O-N 3.02Å; A11-E14 PolarHBondContact O-N 2.93Å; N12-E14 VanDerWaalsContact C-N 3.34Å; N12-E14 PolarHBondContact O-N 2.94Å; E14-S16 VanDerWaalsContact C-N 3.33Å |
| 15 | L | 96.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 100.3 Ų | 100.3 | 11% | 0.105 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -74.7 | -21.1 | 179.8 | -68 | 168 | 0 | 0 | 0 | 113.4 | A11 N12 R17 R18 K19 K20 V22 L25 | A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 WeakPolarHBondContact O-CD1 3.42Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 2.84Å; N12-L15 PolarHBondContact O-N 3.39Å; L15-R17 PolarHBondContact O-N 3.37Å; L15-R17 VanDerWaalsContact O-N 3.16Å; L15-R18 CarbonylContact O-C 3.51Å; L15-R18 WeakPolarHBondContact O-CA 3.38Å; L15-R18 PolarHBondContact O-N 2.69Å; L15-K19 PolarHBondContact O-N 2.8Å; L15-K20 CarbonylContact C-O 3.57Å; L15-K20 HydrophobicContact CB-CB 4.14Å; L15-K20 VanDerWaalsContact CB-O 3.23Å; L15-K20 WeakPolarHBondContact CB-O 3.29Å; L15-K20 HydrophobicContact CD2-CB 4.22Å; L15-K20 PolarHBondContact O-N 3.12Å; L15-V22 HydrophobicContact CD1-CG2 4.12Å; L15-L25 HydrophobicContact CD1-CD1 3.65Å; L15-L25 HydrophobicContact CD1-CG 4.15Å; L15-L25 HydrophobicContact CD2-CD1 4.03Å; L15-L25 HydrophobicContact CD2-CD2 4.35Å; L15-L25 HydrophobicContact CG-CD1 4.46Å |
| 16 | S | 93.6 | Very high | 95.2 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 51% | 0.51 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -53.5 | -37.4 | 178.1 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | N12 K13 E14 R18 K19 | N12-S16 PolarHBondContact O-N 3.45Å; K13-S16 WeakPolarHBondContact O-CB 3.17Å; K13-S16 PolarHBondContact O-OG 3.1Å; E14-S16 VanDerWaalsContact C-N 3.33Å; S16-R18 PolarHBondContact O-N 2.99Å; S16-K19 PolarHBondContact O-N 2.78Å |
| 17 | R | 92.4 | Very high | 95.2 | Very high | 232 Ų | 232 | 95.6 Ų | 95.6 | 88% | 0.875 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -63 | -23.6 | 176.1 | -67.5 | -176.5 | 178.2 | 164.6 | -0.4 | 113.5 | L15 | L15-R17 PolarHBondContact O-N 3.37Å; L15-R17 VanDerWaalsContact O-N 3.16Å |
| 18 | R | 92.9 | Very high | 95.2 | Very high | 180 Ų | 180 | 96.7 Ų | 96.7 | 68% | 0.679 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -102.6 | 6.8 | 178.2 | -61.9 | -177.1 | 177.9 | 95.3 | -4.3 | 112.6 | L15 S16 K20 | L15-R18 CarbonylContact O-C 3.51Å; L15-R18 WeakPolarHBondContact O-CA 3.38Å; L15-R18 PolarHBondContact O-N 2.69Å; S16-R18 PolarHBondContact O-N 2.99Å; R18-K20 HydrophobicContact CB-CG 4.43Å; R18-K20 PolarHBondContact O-N 3.23Å |
| 19 | K | 94.4 | Very high | 95.2 | Very high | 202 Ų | 202 | 94 Ų | 94 | 88% | 0.878 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 38.1 | -173.4 | -56.2 | 179.7 | 179.3 | 179.7 | 0 | 112.5 | L15 S16 | L15-K19 PolarHBondContact O-N 2.8Å; S16-K19 PolarHBondContact O-N 2.78Å |
| 20 | K | 94.7 | Very high | 95.2 | Very high | 107 Ų | 107 | 90 Ų | 90 | 47% | 0.465 | 44% | 0.442 | S | S | . | . | trans | -118.7 | 161.6 | 177.7 | -71.1 | -169.8 | 178.8 | -168.2 | 0 | 110.7 | L15 R18 S24 L25 | L15-K20 CarbonylContact C-O 3.57Å; L15-K20 HydrophobicContact CB-CB 4.14Å; L15-K20 VanDerWaalsContact CB-O 3.23Å; L15-K20 WeakPolarHBondContact CB-O 3.29Å; L15-K20 HydrophobicContact CD2-CB 4.22Å; L15-K20 PolarHBondContact O-N 3.12Å; R18-K20 HydrophobicContact CB-CG 4.43Å; R18-K20 PolarHBondContact O-N 3.23Å; K20-S24 WeakPolarHBondContact CB-OG 3.49Å; K20-L25 HydrophobicContact CD-CD2 4.11Å | ||
| 21 | T | 95.6 | Very high | 95.2 | Very high | 65 Ų | 65 | 86.8 Ų | 86.8 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | trans | -123.7 | 164.2 | 169.9 | 63.2 | 0 | 0 | 0 | 0 | 110 | N12 D23 S24 L25 | N12-T21 VanDerWaalsContact OD1-CA 3.28Å; N12-T21 WeakPolarHBondContact OD1-CA 3.27Å; T21-D23 PolarHBondContact O-N 3.42Å; T21-S24 PolarHBondContact N-OG 3.38Å; T21-S24 PolarHBondContact O-N 3.5Å; T21-S24 VanDerWaalsContact O-N 3.1Å; T21-S24 PolarHBondContact O-OG 3.39Å; T21-S24 PolarHBondContact OG1-N 2.95Å; T21-L25 PolarHBondContact O-N 3.15Å | ||
| 22 | V | 95.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 88.5 Ų | 88.5 | 7% | 0.067 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -53.6 | -42.8 | 171.9 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | W7 Q8 A11 N12 L15 S24 L25 P37 | W7-V22 HydrophobicContact CH2-CG1 3.78Å; W7-V22 HydrophobicContact CH2-CG2 4.23Å; W7-V22 HydrophobicContact CZ3-CG1 3.78Å; W7-V22 HydrophobicContact CZ3-CG2 4.29Å; Q8-V22 HydrophobicContact CG-CB 4.37Å; Q8-V22 HydrophobicContact CG-CG2 4.2Å; A11-V22 HydrophobicContact CB-CG2 3.52Å; N12-V22 PolarHBondContact OD1-N 3.49Å; L15-V22 HydrophobicContact CD1-CG2 4.12Å; V22-S24 VanDerWaalsContact C-N 3.28Å; V22-S24 PolarHBondContact O-N 3.41Å; V22-L25 WeakPolarHBondContact O-CB 3.46Å; V22-L25 PolarHBondContact O-N 2.81Å; V22-P37 HydrophobicContact CG1-CG 3.86Å |
| 23 | D | 94.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 86.2 Ų | 86.2 | 59% | 0.588 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -63 | -35.3 | 179.5 | -56.9 | -18.2 | 0 | 0 | 0 | 111.9 | T21 L25 V26 | T21-D23 PolarHBondContact O-N 3.42Å; D23-L25 PolarHBondContact O-N 3.16Å; D23-V26 WeakPolarHBondContact O-CB 3.41Å; D23-V26 WeakPolarHBondContact O-CG2 3.41Å; D23-V26 PolarHBondContact O-N 3.24Å |
| 24 | S | 95.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 80.6 Ų | 80.6 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -70.1 | -10.2 | 175.3 | 76.1 | 0 | 0 | 0 | 0 | 114.3 | K20 T21 V22 | K20-S24 WeakPolarHBondContact CB-OG 3.49Å; T21-S24 PolarHBondContact N-OG 3.38Å; T21-S24 PolarHBondContact O-N 3.5Å; T21-S24 VanDerWaalsContact O-N 3.1Å; T21-S24 PolarHBondContact O-OG 3.39Å; T21-S24 PolarHBondContact OG1-N 2.95Å; V22-S24 VanDerWaalsContact C-N 3.28Å; V22-S24 PolarHBondContact O-N 3.41Å |
| 25 | L | 96 | Very high | 95.4 | Very high | 67 Ų | 67 | 76.1 Ų | 76.1 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -90.3 | -8.2 | 174.4 | -57.9 | -176.2 | 0 | 0 | 0 | 112.9 | L15 K20 T21 V22 D23 H27 P37 | L15-L25 HydrophobicContact CD1-CD1 3.65Å; L15-L25 HydrophobicContact CD1-CG 4.15Å; L15-L25 HydrophobicContact CD2-CD1 4.03Å; L15-L25 HydrophobicContact CD2-CD2 4.35Å; L15-L25 HydrophobicContact CG-CD1 4.46Å; K20-L25 HydrophobicContact CD-CD2 4.11Å; T21-L25 PolarHBondContact O-N 3.15Å; V22-L25 WeakPolarHBondContact O-CB 3.46Å; V22-L25 PolarHBondContact O-N 2.81Å; D23-L25 PolarHBondContact O-N 3.16Å; L25-H27 PolarHBondContact O-N 2.92Å; L25-P37 HydrophobicContact CB-CB 4.11Å; L25-P37 HydrophobicContact CB-CG 4.14Å; L25-P37 HydrophobicContact CD1-CB 4.33Å |
| 26 | V | 96.9 | Very high | 95.4 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 120 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | D23 A34 I35 | D23-V26 WeakPolarHBondContact O-CB 3.41Å; D23-V26 WeakPolarHBondContact O-CG2 3.41Å; D23-V26 PolarHBondContact O-N 3.24Å; V26-A34 HydrophobicContact CG1-CB 3.94Å; V26-I35 WeakPolarHBondContact CA-O 3.28Å |
| 27 | H | 94.9 | Very high | 95.6 | Very high | 93 Ų | 93 | 77.9 Ų | 77.9 | 43% | 0.431 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.6 | -178.2 | -173.1 | 64.5 | 0 | 0 | 0 | 110 | L25 I35 R451 | L25-H27 PolarHBondContact O-N 2.92Å; H27-I35 HydrophobicContact CB-CB 4.44Å; H27-I35 PolarHBondContact N-O 3.01Å; H27-I35 PolarHBondContact O-N 2.76Å; H27-R451 PolarHBondContact CE1-NH1 2.98Å; H27-R451 PolarHBondContact NE2-NH1 3.23Å; H27-R451 VanDerWaalsContact NE2-NH1 3.16Å |
| 28 | Q | 94.8 | Very high | 95.8 | Very high | 112 Ų | 112 | 70 Ų | 70 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.1 | 171.4 | -61.2 | -60.6 | -34.1 | 0 | 0 | 109 | ||
| 29 | T | 96.3 | Very high | 96 | Very high | 14 Ų | 14 | 62.6 Ų | 62.6 | 9% | 0.086 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 168.7 | 179.2 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | E31 G32 I33 I35 M285 | T29-E31 WeakPolarHBondContact CB-OE2 3.48Å; T29-E31 PolarHBondContact O-N 2.89Å; T29-E31 PolarHBondContact OG1-N 3.21Å; T29-E31 PolarHBondContact OG1-OE2 3.02Å; T29-G32 PolarHBondContact O-N 3.3Å; T29-I33 PolarHBondContact N-O 2.94Å; T29-I33 PolarHBondContact OG1-N 3.37Å; T29-I33 PolarHBondContact OG1-O 2.95Å; T29-I35 HydrophobicContact CG2-CD1 4.08Å; T29-I35 HydrophobicContact CG2-CG1 3.43Å; T29-I35 VanDerWaalsContact CG2-CG1 3.43Å; T29-M285 HydrophobicContact CG2-CE 3.83Å |
| 30 | A | 93.8 | Very high | 96.1 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 45% | 0.446 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G32 N240 | A30-G32 VanDerWaalsContact C-N 3.26Å; A30-G32 PolarHBondContact O-N 3.01Å; A30-N240 PolarHBondContact O-ND2 2.72Å |
| 31 | E | 96.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.8 | 173.5 | -64 | 71.1 | -159.4 | 0 | 0 | 112.6 | T29 I33 N240 C241 V242 M285 Q408 | T29-E31 WeakPolarHBondContact CB-OE2 3.48Å; T29-E31 PolarHBondContact O-N 2.89Å; T29-E31 PolarHBondContact OG1-N 3.21Å; T29-E31 PolarHBondContact OG1-OE2 3.02Å; E31-I33 HydrophobicContact CB-CD1 4.06Å; E31-I33 HydrophobicContact CB-CG1 4.08Å; E31-N240 HydrophobicContact CG-CB 4.04Å; E31-C241 HydrophobicContact CG-CB 4.19Å; E31-C241 PolarHBondContact OE1-N 3.2Å; E31-V242 HydrophobicContact CB-CB 4.36Å; E31-V242 HydrophobicContact CB-CG2 3.78Å; E31-V242 HydrophobicContact CG-CB 4.26Å; E31-V242 HydrophobicContact CG-CG2 3.82Å; E31-M285 HydrophobicContact CG-CE 4.22Å; E31-M285 HydrophobicContact CG-CG 4.44Å; E31-M285 HydrophobicContact CG-SD 4Å; E31-M285 WeakPolarHBondContact OE2-CE 3.34Å; E31-Q408 PolarHBondContact O-OE1 3.48Å |
| 32 | G | 95.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 80.3 | 27.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T29 A30 Q408 | T29-G32 PolarHBondContact O-N 3.3Å; A30-G32 VanDerWaalsContact C-N 3.26Å; A30-G32 PolarHBondContact O-N 3.01Å; G32-Q408 PolarHBondContact O-NE2 3.39Å; G32-Q408 VanDerWaalsContact O-NE2 3.13Å |
| 33 | I | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | trans | -100.6 | 130.9 | 174.9 | -64.5 | 174.3 | 0 | 0 | 0 | 109 | T29 E31 I35 V242 M285 L401 Q404 I405 Q408 | T29-I33 PolarHBondContact N-O 2.94Å; T29-I33 PolarHBondContact OG1-N 3.37Å; T29-I33 PolarHBondContact OG1-O 2.95Å; E31-I33 HydrophobicContact CB-CD1 4.06Å; E31-I33 HydrophobicContact CB-CG1 4.08Å; I33-I35 HydrophobicContact CG2-CD1 3.61Å; I33-I35 HydrophobicContact CG2-CG1 4.46Å; I33-V242 HydrophobicContact CD1-CG2 4.3Å; I33-M285 HydrophobicContact CD1-CE 4.22Å; I33-M285 HydrophobicContact CD1-SD 4.14Å; I33-L401 HydrophobicContact CD1-CD1 4.02Å; I33-L401 HydrophobicContact CG2-CD1 3.91Å; I33-Q404 HydrophobicContact CD1-CB 4.11Å; I33-Q404 HydrophobicContact CG1-CB 4.39Å; I33-Q404 HydrophobicContact CG2-CB 4.45Å; I33-I405 HydrophobicContact CD1-CG1 3.85Å; I33-Q408 VanDerWaalsContact CG1-NE2 3.28Å | ||
| 34 | A | 97.7 | Very high | 96.3 | Very high | 38 Ų | 38 | 54 Ų | 54 | 31% | 0.314 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 105.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V26 | V26-A34 HydrophobicContact CG1-CB 3.94Å |
| 35 | I | 97.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.9 | -178.8 | -52 | -66.7 | 0 | 0 | 0 | 109.7 | V26 H27 T29 I33 Y39 Y397 L401 | V26-I35 WeakPolarHBondContact CA-O 3.28Å; H27-I35 HydrophobicContact CB-CB 4.44Å; H27-I35 PolarHBondContact N-O 3.01Å; H27-I35 PolarHBondContact O-N 2.76Å; T29-I35 HydrophobicContact CG2-CD1 4.08Å; T29-I35 HydrophobicContact CG2-CG1 3.43Å; T29-I35 VanDerWaalsContact CG2-CG1 3.43Å; I33-I35 HydrophobicContact CG2-CD1 3.61Å; I33-I35 HydrophobicContact CG2-CG1 4.46Å; I35-Y39 HydrophobicContact CG2-CE2 4.31Å; I35-Y397 HydrophobicContact CD1-CE2 3.91Å; I35-Y397 HydrophobicContact CG2-CE2 3.81Å; I35-L401 HydrophobicContact CD1-CD1 3.72Å |
| 36 | K | 97.6 | Very high | 96.3 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 32% | 0.317 | 34% | 0.343 | S | S | . | . | trans | -77.2 | 147.7 | 177.4 | -58.7 | -173.8 | -58 | 169.8 | 0 | 110.7 | L38 Y39 D43 | K36-L38 WeakPolarHBondContact CB-O 3.41Å; K36-L38 WeakPolarHBondContact CE-O 3.46Å; K36-L38 PolarHBondContact O-N 3.03Å; K36-Y39 HydrophobicContact CB-CD2 4.3Å; K36-Y39 HydrophobicContact CB-CE2 3.8Å; K36-Y39 PolarHBondContact N-OH 3.43Å; K36-Y39 VanDerWaalsContact N-OH 3.16Å; K36-Y39 VanDerWaalsContact O-CE2 3.32Å; K36-Y39 WeakPolarHBondContact O-CE2 3.32Å; K36-D43 IonicContact NZ-OD1 3.88Å; K36-D43 PolarHBondContact NZ-OD1 3.42Å; K36-D43 IonicContact NZ-OD2 3.73Å; K36-D43 PolarHBondContact NZ-OD2 3Å | ||
| 37 | P | 96.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 59 Ų | 59 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -67.9 | -15.6 | 172.8 | 27.9 | -35.9 | 0 | 0 | 0 | 113.7 | W7 V22 L25 | W7-P37 HydrophobicContact CH2-CG 4.13Å; V22-P37 HydrophobicContact CG1-CG 3.86Å; L25-P37 HydrophobicContact CB-CB 4.11Å; L25-P37 HydrophobicContact CB-CG 4.14Å; L25-P37 HydrophobicContact CD1-CB 4.33Å |
| 38 | L | 96.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | -146 | 136.3 | 175.7 | -178.8 | 67.2 | 0 | 0 | 0 | 110.6 | W7 K36 T40 | W7-L38 HydrophobicContact CD2-CD2 3.47Å; W7-L38 VanDerWaalsContact CD2-CD2 3.47Å; W7-L38 HydrophobicContact CE3-CD2 3.74Å; W7-L38 HydrophobicContact CG-CD2 3.91Å; W7-L38 HydrophobicContact CH2-CB 3.63Å; W7-L38 HydrophobicContact CH2-CD2 4.2Å; W7-L38 HydrophobicContact CZ2-CB 3.69Å; W7-L38 HydrophobicContact CZ2-CD2 3.97Å; W7-L38 HydrophobicContact CZ2-CG 4.4Å; W7-L38 HydrophobicContact CZ3-CB 4.09Å; W7-L38 HydrophobicContact CZ3-CD2 4.09Å; K36-L38 WeakPolarHBondContact CB-O 3.41Å; K36-L38 WeakPolarHBondContact CE-O 3.46Å; K36-L38 PolarHBondContact O-N 3.03Å; L38-T40 HydrophobicContact CD2-CG2 4.24Å; L38-T40 HydrophobicContact CG-CG2 4.25Å | ||
| 39 | Y | 97.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | trans | -116.2 | 148.7 | 168.9 | -69.4 | -101.7 | 0 | 0 | 0 | 109.5 | I35 K36 D43 Y396 Y397 | I35-Y39 HydrophobicContact CG2-CE2 4.31Å; K36-Y39 HydrophobicContact CB-CD2 4.3Å; K36-Y39 HydrophobicContact CB-CE2 3.8Å; K36-Y39 PolarHBondContact N-OH 3.43Å; K36-Y39 VanDerWaalsContact N-OH 3.16Å; K36-Y39 VanDerWaalsContact O-CE2 3.32Å; K36-Y39 WeakPolarHBondContact O-CE2 3.32Å; Y39-D43 VanDerWaalsContact CA-OD2 3.24Å; Y39-D43 WeakPolarHBondContact CA-OD2 3.35Å; Y39-D43 HydrophobicContact CD1-CB 4.07Å; Y39-Y396 WeakPolarHBondContact O-CD2 3.38Å; Y39-Y397 AromaticContact CD2-CD2 3.72Å; Y39-Y397 HydrophobicContact CD2-CD2 3.72Å; Y39-Y397 HydrophobicContact CD2-CG 4.05Å; Y39-Y397 HydrophobicContact CE1-CD2 4.32Å; Y39-Y397 AromaticContact CE2-CD2 3.34Å; Y39-Y397 HydrophobicContact CE2-CD2 3.34Å; Y39-Y397 AromaticContact CE2-CE2 3.91Å; Y39-Y397 HydrophobicContact CE2-CE2 3.91Å; Y39-Y397 HydrophobicContact CE2-CG 4.11Å; Y39-Y397 HydrophobicContact CG-CD2 4.36Å; Y39-Y397 AromaticContact CZ-CD2 3.69Å | ||
| 40 | T | 96.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 55 Ų | 55 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | trans | -134.5 | 174.9 | -175 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | V4 L38 A42 D43 Y396 | V4-T40 HydrophobicContact CG2-CG2 3.9Å; L38-T40 HydrophobicContact CD2-CG2 4.24Å; L38-T40 HydrophobicContact CG-CG2 4.25Å; T40-A42 PolarHBondContact O-N 3.42Å; T40-D43 PolarHBondContact N-OD2 3.17Å; T40-D43 VanDerWaalsContact O-CB 3.3Å; T40-D43 WeakPolarHBondContact O-CB 3.45Å; T40-D43 PolarHBondContact O-N 3.42Å; T40-D43 PolarHBondContact OG1-OD2 2.97Å; T40-Y396 VanDerWaalsContact C-CG 3.45Å; T40-Y396 WeakPolarHBondContact O-CB 3.46Å | ||
| 41 | E | 95.6 | Very high | 96.3 | Very high | 139 Ų | 139 | 56.6 Ų | 56.6 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -53.7 | -37.4 | 176.6 | -176.1 | 176.1 | -162.8 | 0 | 0 | 112.9 | D43 L44 Y396 | E41-D43 PolarHBondContact O-N 3.44Å; E41-D43 VanDerWaalsContact O-N 3.1Å; E41-L44 WeakPolarHBondContact O-CB 3.45Å; E41-L44 PolarHBondContact O-N 3.1Å; E41-Y396 HydrophobicContact CB-CE1 4.16Å |
| 42 | A | 95.3 | Very high | 96.3 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 50% | 0.496 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -62.2 | -18.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T40 L44 D45 | T40-A42 PolarHBondContact O-N 3.42Å; A42-L44 PolarHBondContact O-N 3.16Å; A42-D45 WeakPolarHBondContact O-CB 3.45Å; A42-D45 PolarHBondContact O-N 3.44Å |
| 43 | D | 96.8 | Very high | 96.4 | Very high | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -78.3 | -9.6 | 175.3 | -63.7 | -59.4 | 0 | 0 | 0 | 113.1 | K36 Y39 T40 E41 D45 L47 S400 | K36-D43 IonicContact NZ-OD1 3.88Å; K36-D43 PolarHBondContact NZ-OD1 3.42Å; K36-D43 IonicContact NZ-OD2 3.73Å; K36-D43 PolarHBondContact NZ-OD2 3Å; Y39-D43 VanDerWaalsContact CA-OD2 3.24Å; Y39-D43 WeakPolarHBondContact CA-OD2 3.35Å; Y39-D43 HydrophobicContact CD1-CB 4.07Å; T40-D43 PolarHBondContact N-OD2 3.17Å; T40-D43 VanDerWaalsContact O-CB 3.3Å; T40-D43 WeakPolarHBondContact O-CB 3.45Å; T40-D43 PolarHBondContact O-N 3.42Å; T40-D43 PolarHBondContact OG1-OD2 2.97Å; E41-D43 PolarHBondContact O-N 3.44Å; E41-D43 VanDerWaalsContact O-N 3.1Å; D43-D45 VanDerWaalsContact C-N 3.34Å; D43-L47 WeakPolarHBondContact O-CD1 3.3Å; D43-S400 PolarHBondContact O-OG 3Å |
| 44 | L | 96.8 | Very high | 96.4 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -84.2 | -10.4 | 171.2 | -60.4 | -178.8 | 0 | 0 | 0 | 112.9 | E41 A42 N46 L47 T50 Y396 E399 | E41-L44 WeakPolarHBondContact O-CB 3.45Å; E41-L44 PolarHBondContact O-N 3.1Å; A42-L44 PolarHBondContact O-N 3.16Å; L44-N46 PolarHBondContact O-N 2.92Å; L44-L47 HydrophobicContact CD2-CD1 4.11Å; L44-L47 PolarHBondContact O-N 3.09Å; L44-T50 HydrophobicContact CD2-CG2 4.42Å; L44-Y396 HydrophobicContact CD1-CD1 3.66Å; L44-Y396 HydrophobicContact CD1-CE1 3.89Å; L44-Y396 HydrophobicContact CD2-CD1 4.32Å; L44-Y396 HydrophobicContact CG-CD1 3.83Å; L44-Y396 HydrophobicContact CG-CE1 4.49Å; L44-E399 HydrophobicContact CD2-CB 3.61Å; L44-E399 HydrophobicContact CD2-CG 3.9Å |
| 45 | D | 95.6 | Very high | 96.4 | Very high | 106 Ų | 106 | 59 Ų | 59 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 125.8 | -176.3 | -70.2 | -19.2 | 0 | 0 | 0 | 111 | A42 D43 L47 | A42-D45 WeakPolarHBondContact O-CB 3.45Å; A42-D45 PolarHBondContact O-N 3.44Å; D43-D45 VanDerWaalsContact C-N 3.34Å; D45-L47 VanDerWaalsContact C-N 3.3Å; D45-L47 PolarHBondContact O-N 3.29Å |
| 46 | N | 94.5 | Very high | 96.3 | Very high | 160 Ų | 160 | 62.6 Ų | 62.6 | 86% | 0.856 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 25.8 | 176.7 | -45.2 | -70.1 | 0 | 0 | 0 | 115.5 | L44 | L44-N46 PolarHBondContact O-N 2.92Š|
| 47 | L | 97.5 | Very high | 96.3 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | trans | -79.6 | 135.1 | 170.3 | -57.3 | -171.5 | 0 | 0 | 0 | 111.5 | D43 L44 D45 V49 T50 E399 D403 | D43-L47 WeakPolarHBondContact O-CD1 3.3Å; L44-L47 HydrophobicContact CD2-CD1 4.11Å; L44-L47 PolarHBondContact O-N 3.09Å; D45-L47 VanDerWaalsContact C-N 3.3Å; D45-L47 PolarHBondContact O-N 3.29Å; L47-V49 VanDerWaalsContact C-N 3.3Å; L47-V49 PolarHBondContact O-N 3.41Å; L47-T50 HydrophobicContact CB-CG2 3.82Å; L47-T50 HydrophobicContact CD1-CG2 4.08Å; L47-T50 HydrophobicContact CG-CG2 4.5Å; L47-T50 PolarHBondContact O-OG1 3.24Å; L47-E399 HydrophobicContact CD1-CB 3.86Å; L47-D403 HydrophobicContact CB-CB 4.33Å; L47-D403 HydrophobicContact CD1-CB 4.45Å; L47-D403 HydrophobicContact CD2-CB 3.89Å; L47-D403 HydrophobicContact CG-CB 4.45Å | ||
| 48 | E | 96 | Very high | 96.3 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.6 | -177.3 | -67.4 | 175.4 | -159.7 | 0 | 0 | 112.9 | Y295 D403 R410 | E48-Y295 HydrophobicContact CB-CE2 4.42Å; E48-Y295 WeakPolarHBondContact O-CE2 3.44Å; E48-Y295 PolarHBondContact OE2-OH 2.92Å; E48-D403 PolarHBondContact N-OD1 2.98Å; E48-R410 IonicContact OE1-NH1 2.78Å; E48-R410 PolarHBondContact OE1-NH1 3.18Å; E48-R410 IonicContact OE2-CZ 3.02Å; E48-R410 IonicContact OE2-NH1 3.46Å; E48-R410 PolarHBondContact OE2-NH1 3.4Å; E48-R410 IonicContact OE2-NH2 3.61Å; E48-R410 PolarHBondContact OE2-NH2 2.96Å |
| 49 | V | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -6.6 | -169.8 | -57.9 | 0 | 0 | 0 | 0 | 114.2 | L47 V60 Y295 T402 D403 V406 | L47-V49 VanDerWaalsContact C-N 3.3Å; L47-V49 PolarHBondContact O-N 3.41Å; V49-V60 HydrophobicContact CB-CG1 4.38Å; V49-V60 HydrophobicContact CB-CG2 4.41Å; V49-Y295 HydrophobicContact CG1-CD2 4.05Å; V49-Y295 HydrophobicContact CG1-CE2 4.37Å; V49-Y295 HydrophobicContact CG1-CG 4.33Å; V49-T402 HydrophobicContact CB-CG2 4.3Å; V49-T402 HydrophobicContact CG1-CG2 4.13Å; V49-T402 HydrophobicContact CG2-CG2 4.27Å; V49-D403 HydrophobicContact CG1-CB 4.44Å; V49-D403 HydrophobicContact CG2-CB 3.98Å; V49-V406 HydrophobicContact CG1-CG2 3.92Å |
| 50 | T | 94.5 | Very high | 96.5 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | trans | -86.2 | 166.3 | -176.2 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | L44 L47 T52 E399 | L44-T50 HydrophobicContact CD2-CG2 4.42Å; L47-T50 HydrophobicContact CB-CG2 3.82Å; L47-T50 HydrophobicContact CD1-CG2 4.08Å; L47-T50 HydrophobicContact CG-CG2 4.5Å; L47-T50 PolarHBondContact O-OG1 3.24Å; T50-T52 VanDerWaalsContact C-N 3.26Å; T50-T52 PolarHBondContact O-N 3.14Å; T50-E399 HydrophobicContact CG2-CB 4.09Å; T50-E399 HydrophobicContact CG2-CG 4.25Å | ||
| 51 | G | 92.3 | Very high | 96.6 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 89% | 0.887 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 72.6 | 10.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 52 | T | 96.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | trans | -92.1 | 161.4 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | T50 P58 V60 R61 | T50-T52 VanDerWaalsContact C-N 3.26Å; T50-T52 PolarHBondContact O-N 3.14Å; T52-P58 HydrophobicContact CG2-CG 3.89Å; T52-V60 HydrophobicContact CG2-CG2 4.21Å; T52-R61 WeakPolarHBondContact O-CD 3.37Å | ||
| 53 | L | 97.8 | Very high | 96.8 | Very high | 104 Ų | 104 | 49.2 Ų | 49.2 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | trans | -120.5 | 147.1 | 177.4 | -70.5 | 174.5 | 0 | 0 | 0 | 110.9 | L56 | L53-L56 HydrophobicContact CB-CD1 4.13Å; L53-L56 HydrophobicContact CD1-CD1 4.25Å; L53-L56 PolarHBondContact O-N 3.04Å | ||
| 54 | P | 97.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 54 Ų | 54 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 144.7 | 176.5 | 29.5 | -36.9 | 0 | 0 | 0 | 111 | L56 R61 A65 V389 | P54-L56 PolarHBondContact O-N 2.9Å; P54-R61 HydrophobicContact CB-CB 4.04Å; P54-A65 WeakPolarHBondContact CG-O 3.35Å; P54-A65 WeakPolarHBondContact O-CA 3.38Å; P54-V389 HydrophobicContact CB-CG1 3.59Å; P54-V389 HydrophobicContact CG-CG1 3.67Å |
| 55 | G | 97.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 2.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y59 G62 | G55-Y59 VanDerWaalsContact C-CE1 3.41Å; G55-Y59 WeakPolarHBondContact O-CE1 3.32Å; G55-G62 PolarHBondContact N-O 3.22Å |
| 56 | L | 97.5 | Very high | 97 | Very high | 97 Ų | 97 | 53.6 Ų | 53.6 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -120.1 | 143.1 | 173.1 | -61.1 | 179.4 | 0 | 0 | 0 | 109.9 | L53 P54 Y59 | L53-L56 HydrophobicContact CB-CD1 4.13Å; L53-L56 HydrophobicContact CD1-CD1 4.25Å; L53-L56 PolarHBondContact O-N 3.04Å; P54-L56 PolarHBondContact O-N 2.9Å; L56-Y59 VanDerWaalsContact O-CA 3.3Å; L56-Y59 WeakPolarHBondContact O-CA 3.36Å; L56-Y59 WeakPolarHBondContact O-CD1 3.1Å; L56-Y59 PolarHBondContact O-N 3.28Å |
| 57 | P | 96.5 | Very high | 97.2 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 139.3 | 171.8 | -22.1 | 30.9 | 0 | 0 | 0 | 111.1 | Y59 | P57-Y59 HydrophobicContact CB-CD2 4.31Å; P57-Y59 HydrophobicContact CB-CE2 3.89Å; P57-Y59 WeakPolarHBondContact CD-OH 3.33Å; P57-Y59 HydrophobicContact CG-CD2 4.43Å; P57-Y59 HydrophobicContact CG-CE2 3.57Å; P57-Y59 WeakPolarHBondContact CG-OH 3.39Å |
| 58 | P | 97.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -90.8 | 25.7 | 7.9 | 37.5 | -37 | 0 | 0 | 0 | 114.3 | T52 V60 R294 Y295 | T52-P58 HydrophobicContact CG2-CG 3.89Å; P58-V60 HydrophobicContact CG-CG2 3.96Å; P58-V60 PolarHBondContact O-N 3.07Å; P58-R294 CarbonylContact O-C 3.15Å; P58-Y295 HydrophobicContact CB-CD2 3.82Å; P58-Y295 HydrophobicContact CB-CE2 4.2Å; P58-Y295 HydrophobicContact CB-CG 4.4Å; P58-Y295 HydrophobicContact CG-CD2 3.55Å; P58-Y295 HydrophobicContact CG-CE2 3.78Å; P58-Y295 WeakPolarHBondContact O-CA 3.41Å |
| 59 | Y | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | trans | 59.2 | 17.5 | 171.4 | -56 | -75.8 | 0 | 0 | 0 | 116.5 | G55 L56 P57 R61 G62 R294 P309 L312 A313 | G55-Y59 VanDerWaalsContact C-CE1 3.41Å; G55-Y59 WeakPolarHBondContact O-CE1 3.32Å; L56-Y59 VanDerWaalsContact O-CA 3.3Å; L56-Y59 WeakPolarHBondContact O-CA 3.36Å; L56-Y59 WeakPolarHBondContact O-CD1 3.1Å; L56-Y59 PolarHBondContact O-N 3.28Å; P57-Y59 HydrophobicContact CB-CD2 4.31Å; P57-Y59 HydrophobicContact CB-CE2 3.89Å; P57-Y59 WeakPolarHBondContact CD-OH 3.33Å; P57-Y59 HydrophobicContact CG-CD2 4.43Å; P57-Y59 HydrophobicContact CG-CE2 3.57Å; P57-Y59 WeakPolarHBondContact CG-OH 3.39Å; Y59-R61 PolarHBondContact O-N 3.17Å; Y59-R61 VanDerWaalsContact O-N 3.12Å; Y59-G62 PolarHBondContact O-N 3.47Å; Y59-R294 WeakPolarHBondContact O-CD 3.35Å; Y59-R294 PolarHBondContact O-NE 3.12Å; Y59-P309 PolarHBondContact OH-O 3.01Å; Y59-L312 HydrophobicContact CE2-CB 3.72Å; Y59-A313 HydrophobicContact CD2-CB 4.39Å; Y59-A313 HydrophobicContact CE1-CB 4.26Å; Y59-A313 HydrophobicContact CE2-CB 4.16Å | ||
| 60 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -44.2 | -179.4 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | V49 T52 P58 G62 R291 R294 Y295 | V49-V60 HydrophobicContact CB-CG1 4.38Å; V49-V60 HydrophobicContact CB-CG2 4.41Å; T52-V60 HydrophobicContact CG2-CG2 4.21Å; P58-V60 HydrophobicContact CG-CG2 3.96Å; P58-V60 PolarHBondContact O-N 3.07Å; V60-G62 VanDerWaalsContact C-N 3.28Å; V60-G62 PolarHBondContact O-N 3.2Å; V60-R291 HydrophobicContact CG1-CB 4.06Å; V60-R294 PolarHBondContact O-NE 2.82Å; V60-R294 VanDerWaalsContact O-NE 3.16Å; V60-R294 PolarHBondContact O-NH2 3.48Å; V60-Y295 HydrophobicContact CG2-CD2 3.63Å; V60-Y295 HydrophobicContact CG2-CG 4.27Å |
| 61 | R | 98.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.1 | -177.9 | -52.4 | -162.2 | 62.7 | -162.1 | -5.8 | 115.2 | T52 P54 Y59 V389 D390 | T52-R61 WeakPolarHBondContact O-CD 3.37Å; P54-R61 HydrophobicContact CB-CB 4.04Å; Y59-R61 PolarHBondContact O-N 3.17Å; Y59-R61 VanDerWaalsContact O-N 3.12Å; R61-V389 PolarHBondContact NH2-O 3.21Å; R61-D390 WeakPolarHBondContact CA-OD2 3.41Å; R61-D390 HydrophobicContact CB-CB 3.98Å; R61-D390 WeakPolarHBondContact CB-OD2 3.44Å; R61-D390 WeakPolarHBondContact CG-OD2 3.29Å; R61-D390 IonicContact CZ-OD2 3.77Å; R61-D390 IonicContact NE-OD2 3.52Å; R61-D390 PolarHBondContact NE-OD2 3.16Å; R61-D390 PolarHBondContact NH2-O 3.03Å |
| 62 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | 123.5 | 151.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G55 Y59 V60 R64 | G55-G62 PolarHBondContact N-O 3.22Å; Y59-G62 PolarHBondContact O-N 3.47Å; V60-G62 VanDerWaalsContact C-N 3.28Å; V60-G62 PolarHBondContact O-N 3.2Å; G62-R64 PolarHBondContact O-N 3.13Å | ||
| 63 | P | 97.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -75.1 | -6.7 | -175.1 | 29.9 | -36.1 | 0 | 0 | 0 | 114.4 | M67 A313 Q350 | P63-M67 HydrophobicContact CG-SD 4.45Å; P63-A313 HydrophobicContact CB-CB 4.12Å; P63-Q350 HydrophobicContact CG-CG 4.44Å; P63-Q350 VanDerWaalsContact CG-NE2 3.34Å |
| 64 | R | 97.4 | Very high | 97.6 | Very high | 138 Ų | 138 | 47.6 Ų | 47.6 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -128 | 143.4 | -179.6 | -59.9 | -62.5 | -171.9 | -169.7 | 0.6 | 110.2 | G62 T66 M67 | G62-R64 PolarHBondContact O-N 3.13Å; R64-T66 VanDerWaalsContact C-N 3.33Å; R64-T66 PolarHBondContact O-N 3.13Å; R64-M67 HydrophobicContact CB-SD 3.98Å; R64-M67 VanDerWaalsContact O-CG 3.31Å; R64-M67 WeakPolarHBondContact O-CG 3.32Å; R64-M67 PolarHBondContact O-N 2.94Å |
| 65 | A | 97.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 56% | 0.562 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -61.9 | -38.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P54 | P54-A65 WeakPolarHBondContact CG-O 3.35Å; P54-A65 WeakPolarHBondContact O-CA 3.38Å |
| 66 | T | 98.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -95.3 | -15.9 | -177.5 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | R64 Y68 T69 A70 V389 | R64-T66 VanDerWaalsContact C-N 3.33Å; R64-T66 PolarHBondContact O-N 3.13Å; T66-Y68 PolarHBondContact O-N 3.29Å; T66-T69 PolarHBondContact O-N 3.1Å; T66-T69 VanDerWaalsContact O-N 3.07Å; T66-T69 PolarHBondContact O-OG1 3.03Å; T66-A70 HydrophobicContact CG2-CB 4.37Å; T66-A70 WeakPolarHBondContact OG1-CB 3.36Å; T66-V389 VanDerWaalsContact O-CG2 3.29Å; T66-V389 WeakPolarHBondContact O-CG2 3.44Å |
| 67 | M | 98.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | 38.4 | -127.2 | -170.9 | -66.4 | -59.7 | -75.7 | 0 | 0 | 111.7 | P63 R64 T69 G348 V389 | P63-M67 HydrophobicContact CG-SD 4.45Å; R64-M67 HydrophobicContact CB-SD 3.98Å; R64-M67 VanDerWaalsContact O-CG 3.31Å; R64-M67 WeakPolarHBondContact O-CG 3.32Å; R64-M67 PolarHBondContact O-N 2.94Å; M67-T69 VanDerWaalsContact C-N 3.3Å; M67-T69 PolarHBondContact O-N 2.82Å; M67-G348 WeakPolarHBondContact CE-O 3.38Å; M67-V389 HydrophobicContact CB-CG1 3.95Å; M67-V389 HydrophobicContact CB-CG2 4.21Å; M67-V389 HydrophobicContact CG-CG1 3.63Å |
| 68 | Y | 98.5 | Very high | 96.5 | Very high | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -75.2 | -13.7 | -173.9 | -51.6 | -32.5 | 0 | 0 | 0 | 115.1 | T66 A70 Q71 W73 T345 G348 T349 L385 C386 | T66-Y68 PolarHBondContact O-N 3.29Å; Y68-A70 PolarHBondContact O-N 2.99Å; Y68-Q71 WeakPolarHBondContact CA-O 3.41Å; Y68-Q71 PolarHBondContact O-N 3.34Å; Y68-W73 HydrophobicContact CD1-CE3 4.36Å; Y68-W73 HydrophobicContact CD2-CE3 4.28Å; Y68-W73 HydrophobicContact CD2-CZ3 4.5Å; Y68-W73 HydrophobicContact CE1-CB 3.97Å; Y68-W73 HydrophobicContact CE1-CE3 4.15Å; Y68-W73 HydrophobicContact CE2-CE3 4.04Å; Y68-W73 HydrophobicContact CE2-CZ3 4.45Å; Y68-W73 HydrophobicContact CG-CE3 4.42Å; Y68-W73 AromaticContact CZ-CE3 3.97Å; Y68-T345 VanDerWaalsContact CE2-O 3.26Å; Y68-T345 WeakPolarHBondContact CE2-O 3.41Å; Y68-T345 PolarHBondContact OH-O 2.59Å; Y68-G348 VanDerWaalsContact OH-CA 3.28Å; Y68-G348 WeakPolarHBondContact OH-CA 3.41Å; Y68-T349 VanDerWaalsContact CE1-O 3.27Å; Y68-T349 WeakPolarHBondContact CE1-O 3.33Å; Y68-T349 PolarHBondContact OH-N 3.29Å; Y68-T349 PolarHBondContact OH-O 2.87Å; Y68-L385 HydrophobicContact CD2-CD2 3.94Å; Y68-L385 HydrophobicContact CE2-CD2 4.15Å; Y68-C386 CarbonylContact C-O 3.45Å |
| 69 | T | 98 | Very high | 95.9 | Very high | 72 Ų | 72 | 41 Ų | 41 | 44% | 0.442 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -67.7 | -25.6 | -178.7 | 71 | 0 | 0 | 0 | 0 | 112.2 | T66 M67 C386 R387 V389 | T66-T69 PolarHBondContact O-N 3.1Å; T66-T69 VanDerWaalsContact O-N 3.07Å; T66-T69 PolarHBondContact O-OG1 3.03Å; M67-T69 VanDerWaalsContact C-N 3.3Å; M67-T69 PolarHBondContact O-N 2.82Å; T69-C386 VanDerWaalsContact CA-O 3.23Å; T69-C386 WeakPolarHBondContact CA-O 3.06Å; T69-C386 WeakPolarHBondContact CG2-O 3.35Å; T69-C386 PolarHBondContact N-O 3.49Å; T69-R387 WeakPolarHBondContact CG2-O 3.2Å; T69-V389 HydrophobicContact CG2-CG2 3.81Å |
| 70 | A | 97.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 41 Ų | 41 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -42.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T66 Y68 | T66-A70 HydrophobicContact CG2-CB 4.37Å; T66-A70 WeakPolarHBondContact OG1-CB 3.36Å; Y68-A70 PolarHBondContact O-N 2.99Å |
| 71 | Q | 96.3 | Very high | 94.2 | Very high | 143 Ų | 143 | 42.3 Ų | 42.3 | 67% | 0.668 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -151.9 | 122.1 | -178.3 | -174.3 | 177.1 | -2.6 | 0 | 0 | 110.2 | Y68 | Y68-Q71 WeakPolarHBondContact CA-O 3.41Å; Y68-Q71 PolarHBondContact O-N 3.34Å |
| 72 | P | 97.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 25% | 0.247 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 168.4 | 177.6 | 31 | -36.2 | 0 | 0 | 0 | 111.4 | Q380 | P72-Q380 HydrophobicContact CB-CG 4.07Š|
| 73 | W | 97.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 159.3 | 174.2 | 70.7 | 92.9 | 0 | 0 | 0 | 111.6 | Y68 I75 T345 T349 Q376 I379 Q380 L385 | Y68-W73 HydrophobicContact CD1-CE3 4.36Å; Y68-W73 HydrophobicContact CD2-CE3 4.28Å; Y68-W73 HydrophobicContact CD2-CZ3 4.5Å; Y68-W73 HydrophobicContact CE1-CB 3.97Å; Y68-W73 HydrophobicContact CE1-CE3 4.15Å; Y68-W73 HydrophobicContact CE2-CE3 4.04Å; Y68-W73 HydrophobicContact CE2-CZ3 4.45Å; Y68-W73 HydrophobicContact CG-CE3 4.42Å; Y68-W73 AromaticContact CZ-CE3 3.97Å; W73-I75 PolarHBondContact O-N 3.01Å; W73-T345 HydrophobicContact CD2-CG2 3.77Å; W73-T345 HydrophobicContact CE3-CG2 3.67Å; W73-T345 HydrophobicContact CH2-CG2 3.44Å; W73-T345 VanDerWaalsContact CH2-CG2 3.44Å; W73-T345 HydrophobicContact CZ2-CG2 3.5Å; W73-T345 HydrophobicContact CZ3-CG2 3.52Å; W73-T349 HydrophobicContact CB-CG2 4.37Å; W73-T349 HydrophobicContact CG-CG2 4.45Å; W73-Q376 HydrophobicContact CZ2-CB 4.27Å; W73-I379 HydrophobicContact CH2-CB 4.03Å; W73-I379 HydrophobicContact CH2-CG2 3.65Å; W73-I379 HydrophobicContact CZ2-CB 4.42Å; W73-I379 HydrophobicContact CZ2-CG2 4.38Å; W73-Q380 HydrophobicContact CD2-CG 4.48Å; W73-Q380 HydrophobicContact CE3-CG 4.36Å; W73-Q380 HydrophobicContact CH2-CB 4.33Å; W73-Q380 HydrophobicContact CH2-CG 3.26Å; W73-Q380 HydrophobicContact CZ2-CG 3.43Å; W73-Q380 VanDerWaalsContact CZ2-CG 3.43Å; W73-Q380 HydrophobicContact CZ3-CG 3.78Å; W73-Q380 PolarHBondContact O-NE2 3.5Å; W73-L385 HydrophobicContact CZ3-CD2 4.41Å |
| 74 | T | 95.3 | Very high | 93.5 | Very high | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.258 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.9 | 177.1 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | R76 K100 Q350 S351 L352 | T74-R76 PolarHBondContact O-N 3.33Å; T74-K100 HydrophobicContact CG2-CB 4.07Å; T74-Q350 PolarHBondContact N-O 2.73Å; T74-S351 WeakPolarHBondContact O-CA 3.48Å; T74-S351 WeakPolarHBondContact O-CB 3.37Å; T74-L352 PolarHBondContact O-N 3.09Å; T74-L352 VanDerWaalsContact O-N 3.09Å |
| 75 | I | 95.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 110.4 | 168.3 | -57.1 | 179.4 | 0 | 0 | 0 | 107.9 | W73 K100 R373 Q376 I377 | W73-I75 PolarHBondContact O-N 3.01Å; I75-K100 PolarHBondContact O-N 3.28Å; I75-R373 HydrophobicContact CG2-CG 4.29Å; I75-Q376 HydrophobicContact CD1-CB 4.02Å; I75-Q376 HydrophobicContact CG1-CB 4.02Å; I75-I377 HydrophobicContact CD1-CG1 3.64Å |
| 76 | R | 93.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | trans | -132.5 | 86.1 | -173.7 | -176.4 | 178.1 | -71.1 | -137.5 | -5.6 | 109.2 | T74 S151 S153 L352 | T74-R76 PolarHBondContact O-N 3.33Å; R76-S151 PolarHBondContact NH2-OG 2.94Å; R76-S153 PolarHBondContact NH1-OG 3.42Å; R76-L352 CarbonylContact C-O 3.37Å; R76-L352 PolarHBondContact N-O 3.26Å; R76-L352 VanDerWaalsContact N-O 3.08Å | ||
| 77 | Q | 92.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | trans | -75.7 | 134.3 | 173.9 | -62.1 | -58.7 | 96.8 | 0 | 0 | 110.2 | Q99 S103 T354 | Q77-Q99 PolarHBondContact O-NE2 3.26Å; Q77-S103 WeakPolarHBondContact O-CB 3.21Å; Q77-T354 PolarHBondContact NE2-O 3.37Å; Q77-T354 PolarHBondContact OE1-OG1 3.41Å | ||
| 78 | Y | 83.7 | Confident | 93 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | trans | -86 | 125.2 | 174.7 | -172.8 | -121.2 | 0 | 0 | 0 | 107.4 | S103 V104 A105 T155 H353 | Y78-S103 WeakPolarHBondContact CD2-OG 3.4Å; Y78-V104 VanDerWaalsContact CE2-C 3.47Å; Y78-V104 WeakPolarHBondContact CE2-O 3.45Å; Y78-A105 HydrophobicContact CD1-CB 4.02Å; Y78-A105 HydrophobicContact CD2-CB 4.29Å; Y78-A105 HydrophobicContact CE1-CB 3.44Å; Y78-A105 VanDerWaalsContact CE1-CB 3.44Å; Y78-A105 HydrophobicContact CE2-CB 3.76Å; Y78-A105 HydrophobicContact CG-CB 4.42Å; Y78-A105 VanDerWaalsContact CZ-CA 3.4Å; Y78-A105 VanDerWaalsContact OH-CA 3.32Å; Y78-A105 WeakPolarHBondContact OH-CA 3.41Å; Y78-T155 VanDerWaalsContact CE2-CB 3.41Å; Y78-T155 HydrophobicContact CE2-CG2 4.22Å; Y78-T155 WeakPolarHBondContact CE2-OG1 3.38Å; Y78-T155 WeakPolarHBondContact OH-CB 3.18Å; Y78-T155 VanDerWaalsContact OH-CG2 3.31Å; Y78-T155 WeakPolarHBondContact OH-CG2 3.05Å; Y78-H353 WeakPolarHBondContact CB-CE1 3.48Å; Y78-H353 WeakPolarHBondContact CB-ND1 3.3Å; Y78-H353 PolarHBondContact N-CE1 2.94Å; Y78-H353 VanDerWaalsContact N-CE1 3.33Å; Y78-H353 PolarHBondContact N-ND1 3.25Å | ||
| 79 | A | 84.3 | Confident | 92.9 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -156.6 | 156.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F90 Y91 S103 A105 | A79-F90 HydrophobicContact CB-CD1 3.76Å; A79-F90 HydrophobicContact CB-CE1 3.47Å; A79-F90 VanDerWaalsContact CB-CE1 3.47Å; A79-Y91 HydrophobicContact CB-CD1 4.33Å; A79-Y91 HydrophobicContact CB-CE1 3.78Å; A79-Y91 WeakPolarHBondContact O-CE1 3.44Å; A79-Y91 PolarHBondContact O-OH 3.04Å; A79-S103 PolarHBondContact N-O 2.86Å; A79-A105 PolarHBondContact O-N 3.02Å |
| 80 | G | 76.6 | Confident | 92.7 | Very high | 6 Ų | 6 | 36 Ų | 36 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | trans | 146.6 | 132.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | S87 G129 | G80-S87 WeakPolarHBondContact CA-OG 3.47Å; G80-G129 WeakPolarHBondContact O-CA 3.31Å | ||
| 81 | F | 84.6 | Confident | 92.5 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | trans | -162.9 | 158.3 | 178.7 | 55.3 | -93.8 | 0 | 0 | 0 | 109.3 | T83 E86 S87 F90 L363 L470 I472 | F81-T83 PolarHBondContact O-N 3.04Å; F81-E86 HydrophobicContact CE2-CB 4.47Å; F81-S87 PolarHBondContact N-OG 3.13Å; F81-S87 PolarHBondContact O-OG 2.83Å; F81-F90 HydrophobicContact CE1-CB 4.24Å; F81-F90 HydrophobicContact CE1-CD1 4.06Å; F81-F90 HydrophobicContact CE1-CD2 4.12Å; F81-F90 HydrophobicContact CE1-CE1 4.41Å; F81-F90 HydrophobicContact CE1-CE2 4.49Å; F81-F90 AromaticContact CE1-CG 3.89Å; F81-F90 HydrophobicContact CE1-CG 3.89Å; F81-F90 HydrophobicContact CZ-CB 4.34Å; F81-F90 HydrophobicContact CZ-CD2 4.32Å; F81-F90 HydrophobicContact CZ-CG 4.3Å; F81-L363 HydrophobicContact CB-CD1 3.55Å; F81-L363 HydrophobicContact CG-CD1 4.46Å; F81-L470 HydrophobicContact CD1-CD2 4.32Å; F81-L470 HydrophobicContact CD2-CD2 3.99Å; F81-L470 HydrophobicContact CE1-CD2 4.33Å; F81-L470 HydrophobicContact CE2-CD2 4Å; F81-L470 HydrophobicContact CG-CD2 4.17Å; F81-L470 HydrophobicContact CZ-CD2 4.17Å; F81-I472 HydrophobicContact CB-CD1 3.95Å | ||
| 82 | S | 90.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 4% | 0.035 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 56.1 | -122 | 171.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | E86 G126 G129 A131 V477 | S82-E86 WeakPolarHBondContact CB-OE2 3.24Å; S82-E86 PolarHBondContact OG-OE2 2.88Å; S82-G126 WeakPolarHBondContact CA-O 3.2Å; S82-G126 PolarHBondContact N-O 2.9Å; S82-G129 PolarHBondContact N-O 3.08Å; S82-A131 PolarHBondContact O-N 3.03Å; S82-V477 WeakPolarHBondContact OG-CG2 3.36Å |
| 83 | T | 93.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | trans | -91.3 | 158.2 | -177.6 | 67 | 0 | 0 | 0 | 0 | 113.2 | F81 K85 E86 S87 V477 | F81-T83 PolarHBondContact O-N 3.04Å; T83-K85 PolarHBondContact O-N 3.17Å; T83-E86 PolarHBondContact O-N 3.21Å; T83-E86 WeakPolarHBondContact OG1-CG 3.44Å; T83-E86 PolarHBondContact OG1-N 3.46Å; T83-E86 PolarHBondContact OG1-OE2 2.72Å; T83-S87 WeakPolarHBondContact O-CB 3.36Å; T83-S87 PolarHBondContact O-N 3.27Å; T83-S87 PolarHBondContact O-OG 3.41Å; T83-V477 HydrophobicContact CG2-CG1 4.11Å; T83-V477 HydrophobicContact CG2-CG2 4.11Å | ||
| 84 | A | 95.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -32.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | N88 V130 I132 D137 V140 L141 | A84-N88 VanDerWaalsContact O-CB 3.24Å; A84-N88 WeakPolarHBondContact O-CB 3.37Å; A84-N88 PolarHBondContact O-N 2.94Å; A84-V130 HydrophobicContact CB-CG2 4.03Å; A84-I132 HydrophobicContact CB-CD1 4.49Å; A84-D137 WeakPolarHBondContact CB-O 3.43Å; A84-V140 HydrophobicContact CB-CB 4.11Å; A84-V140 HydrophobicContact CB-CG1 3.93Å; A84-L141 HydrophobicContact CB-CB 4.14Å; A84-L141 HydrophobicContact CB-CD1 4.42Å |
| 85 | K | 96.3 | Very high | 91.7 | Very high | 160 Ų | 160 | 33.9 Ų | 33.9 | 70% | 0.696 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -68.1 | -45.9 | 178 | -179 | -179.8 | 174.5 | -172 | 0 | 112.1 | T83 N88 A89 V140 | T83-K85 PolarHBondContact O-N 3.17Å; K85-N88 PolarHBondContact O-N 3.47Å; K85-A89 PolarHBondContact O-N 2.98Å; K85-V140 HydrophobicContact CB-CG1 4.12Å |
| 86 | E | 93.9 | Very high | 91.6 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.9 | -42.7 | 178.3 | -71.2 | 175.9 | 131.5 | 0 | 0 | 111.4 | F81 S82 T83 N88 A89 F90 | F81-E86 HydrophobicContact CE2-CB 4.47Å; S82-E86 WeakPolarHBondContact CB-OE2 3.24Å; S82-E86 PolarHBondContact OG-OE2 2.88Å; T83-E86 PolarHBondContact O-N 3.21Å; T83-E86 WeakPolarHBondContact OG1-CG 3.44Å; T83-E86 PolarHBondContact OG1-N 3.46Å; T83-E86 PolarHBondContact OG1-OE2 2.72Å; E86-N88 PolarHBondContact O-N 2.82Å; E86-A89 PolarHBondContact O-N 3.02Å; E86-F90 PolarHBondContact O-N 3.42Å |
| 87 | S | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 173.4 | -73 | 0 | 0 | 0 | 0 | 112.1 | G80 F81 T83 A89 F90 Y91 | G80-S87 WeakPolarHBondContact CA-OG 3.47Å; F81-S87 PolarHBondContact N-OG 3.13Å; F81-S87 PolarHBondContact O-OG 2.83Å; T83-S87 WeakPolarHBondContact O-CB 3.36Å; T83-S87 PolarHBondContact O-N 3.27Å; T83-S87 PolarHBondContact O-OG 3.41Å; S87-A89 PolarHBondContact O-N 2.88Å; S87-F90 WeakPolarHBondContact O-CB 3.4Å; S87-F90 PolarHBondContact O-N 3.31Å; S87-Y91 WeakPolarHBondContact O-CD1 3.49Å; S87-Y91 WeakPolarHBondContact O-CD2 3.31Å; S87-Y91 PolarHBondContact O-N 3.06Å |
| 88 | N | 96.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.3 | 176.7 | -86.6 | 0 | 0 | 0 | 111.9 | A84 K85 E86 F90 Y91 R92 L141 D143 | A84-N88 VanDerWaalsContact O-CB 3.24Å; A84-N88 WeakPolarHBondContact O-CB 3.37Å; A84-N88 PolarHBondContact O-N 2.94Å; K85-N88 PolarHBondContact O-N 3.47Å; E86-N88 PolarHBondContact O-N 2.82Å; N88-F90 VanDerWaalsContact C-N 3.29Å; N88-F90 PolarHBondContact O-N 2.96Å; N88-Y91 PolarHBondContact O-N 3.38Å; N88-R92 WeakPolarHBondContact O-CG 3.39Å; N88-R92 PolarHBondContact O-N 3.42Å; N88-R92 WeakPolarHBondContact OD1-CD 3.47Å; N88-L141 WeakPolarHBondContact CB-O 3.46Å; N88-L141 PolarHBondContact ND2-O 2.98Å; N88-D143 PolarHBondContact ND2-N 3.13Å; N88-D143 PolarHBondContact ND2-O 3.04Å |
| 89 | A | 95.7 | Very high | 91.3 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K85 E86 S87 R93 | K85-A89 PolarHBondContact O-N 2.98Å; E86-A89 PolarHBondContact O-N 3.02Å; S87-A89 PolarHBondContact O-N 2.88Å; A89-R93 WeakPolarHBondContact O-CG 3.37Å; A89-R93 PolarHBondContact O-N 3.44Å; A89-R93 VanDerWaalsContact O-N 3.13Å; A89-R93 PolarHBondContact O-NH1 3.18Å |
| 90 | F | 93.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -45.5 | 175.4 | -173.3 | -109.4 | 0 | 0 | 0 | 112.1 | A79 F81 E86 S87 N88 R92 R93 N94 A369 | A79-F90 HydrophobicContact CB-CD1 3.76Å; A79-F90 HydrophobicContact CB-CE1 3.47Å; A79-F90 VanDerWaalsContact CB-CE1 3.47Å; F81-F90 HydrophobicContact CE1-CB 4.24Å; F81-F90 HydrophobicContact CE1-CD1 4.06Å; F81-F90 HydrophobicContact CE1-CD2 4.12Å; F81-F90 HydrophobicContact CE1-CE1 4.41Å; F81-F90 HydrophobicContact CE1-CE2 4.49Å; F81-F90 AromaticContact CE1-CG 3.89Å; F81-F90 HydrophobicContact CE1-CG 3.89Å; F81-F90 HydrophobicContact CZ-CB 4.34Å; F81-F90 HydrophobicContact CZ-CD2 4.32Å; F81-F90 HydrophobicContact CZ-CG 4.3Å; E86-F90 PolarHBondContact O-N 3.42Å; S87-F90 WeakPolarHBondContact O-CB 3.4Å; S87-F90 PolarHBondContact O-N 3.31Å; N88-F90 VanDerWaalsContact C-N 3.29Å; N88-F90 PolarHBondContact O-N 2.96Å; F90-R92 PolarHBondContact O-N 3.41Å; F90-R93 PolarHBondContact O-N 3.38Å; F90-N94 WeakPolarHBondContact CD1-ND2 3.45Å; F90-N94 WeakPolarHBondContact CE1-ND2 3.41Å; F90-N94 WeakPolarHBondContact CZ-ND2 3.47Å; F90-N94 PolarHBondContact O-N 2.9Å; F90-A369 HydrophobicContact CZ-CB 3.95Å |
| 91 | Y | 93.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 176.1 | -64.2 | -16.7 | 0 | 0 | 0 | 111.9 | A79 S87 N88 R93 N94 L95 L102 V104 L141 I145 | A79-Y91 HydrophobicContact CB-CD1 4.33Å; A79-Y91 HydrophobicContact CB-CE1 3.78Å; A79-Y91 WeakPolarHBondContact O-CE1 3.44Å; A79-Y91 PolarHBondContact O-OH 3.04Å; S87-Y91 WeakPolarHBondContact O-CD1 3.49Å; S87-Y91 WeakPolarHBondContact O-CD2 3.31Å; S87-Y91 PolarHBondContact O-N 3.06Å; N88-Y91 PolarHBondContact O-N 3.38Å; Y91-R93 PolarHBondContact O-N 2.87Å; Y91-N94 PolarHBondContact O-N 3.49Å; Y91-L95 WeakPolarHBondContact O-CB 3.25Å; Y91-L95 VanDerWaalsContact O-CG 3.27Å; Y91-L95 WeakPolarHBondContact O-CG 3.43Å; Y91-L95 PolarHBondContact O-N 3.19Å; Y91-L102 HydrophobicContact CD1-CD2 4.37Å; Y91-L102 HydrophobicContact CG-CD2 3.99Å; Y91-V104 HydrophobicContact CE2-CG2 4.31Å; Y91-L141 HydrophobicContact CD2-CD1 4.3Å; Y91-L141 HydrophobicContact CE2-CD1 3.54Å; Y91-L141 HydrophobicContact CE2-CG 4.02Å; Y91-I145 HydrophobicContact CD2-CD1 4.43Å |
| 92 | R | 95 | Very high | 92.2 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 179.1 | -68.4 | 171.6 | 64.8 | 84.6 | -9.7 | 112 | N88 F90 A96 Q144 I145 | N88-R92 WeakPolarHBondContact O-CG 3.39Å; N88-R92 PolarHBondContact O-N 3.42Å; N88-R92 WeakPolarHBondContact OD1-CD 3.47Å; F90-R92 PolarHBondContact O-N 3.41Å; R92-A96 WeakPolarHBondContact O-CB 3.49Å; R92-A96 PolarHBondContact O-N 2.9Å; R92-Q144 PolarHBondContact NH1-O 3.15Å; R92-I145 HydrophobicContact CG-CD1 4.38Å; R92-I145 HydrophobicContact CG-CG1 4.33Å |
| 93 | R | 94 | Very high | 92.3 | Very high | 112 Ų | 112 | 41.5 Ų | 41.5 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -46 | 174.4 | -71.5 | -164.4 | -55.7 | -88.8 | 20.1 | 111.7 | A89 F90 Y91 A96 A97 D366 | A89-R93 WeakPolarHBondContact O-CG 3.37Å; A89-R93 PolarHBondContact O-N 3.44Å; A89-R93 VanDerWaalsContact O-N 3.13Å; A89-R93 PolarHBondContact O-NH1 3.18Å; F90-R93 PolarHBondContact O-N 3.38Å; Y91-R93 PolarHBondContact O-N 2.87Å; R93-A96 PolarHBondContact O-N 3.35Å; R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 3.15Å; R93-A97 VanDerWaalsContact O-N 3.07Å; R93-D366 IonicContact CZ-OD1 2.72Å; R93-D366 IonicContact CZ-OD2 3.7Å; R93-D366 IonicContact NE-OD1 3.57Å; R93-D366 PolarHBondContact NE-OD1 2.89Å; R93-D366 IonicContact NE-OD2 3.55Å; R93-D366 IonicContact NH2-OD1 3.88Å; R93-D366 PolarHBondContact NH2-OD1 2.96Å; R93-D366 IonicContact NH2-OD2 3.78Å; R93-D366 PolarHBondContact NH2-OD2 3.46Å |
| 94 | N | 90 | Very high | 92.4 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70 | -37.9 | -178.8 | -74 | -26.8 | 0 | 0 | 0 | 113.5 | F90 Y91 A96 A97 G98 Q99 R373 | F90-N94 WeakPolarHBondContact CD1-ND2 3.45Å; F90-N94 WeakPolarHBondContact CE1-ND2 3.41Å; F90-N94 WeakPolarHBondContact CZ-ND2 3.47Å; F90-N94 PolarHBondContact O-N 2.9Å; Y91-N94 PolarHBondContact O-N 3.49Å; N94-A96 VanDerWaalsContact C-N 3.34Å; N94-A97 CarbonylContact O-C 3.45Å; N94-A97 PolarHBondContact O-N 3.47Å; N94-A97 VanDerWaalsContact O-N 3.11Å; N94-G98 PolarHBondContact O-N 3.36Å; N94-Q99 HydrophobicContact CB-CB 4.22Å; N94-Q99 VanDerWaalsContact O-CB 3.27Å; N94-Q99 WeakPolarHBondContact O-CB 3.36Å; N94-Q99 PolarHBondContact O-N 3.03Å; N94-R373 PolarHBondContact OD1-NH1 3.03Å |
| 95 | L | 90.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 41 Ų | 41 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 172.3 | -72.1 | 175 | 0 | 0 | 0 | 110.8 | Y91 A97 G98 Q99 L102 M150 | Y91-L95 WeakPolarHBondContact O-CB 3.25Å; Y91-L95 VanDerWaalsContact O-CG 3.27Å; Y91-L95 WeakPolarHBondContact O-CG 3.43Å; Y91-L95 PolarHBondContact O-N 3.19Å; L95-A97 PolarHBondContact O-N 3.45Å; L95-G98 PolarHBondContact O-N 2.81Å; L95-Q99 HydrophobicContact CD2-CB 4.47Å; L95-Q99 HydrophobicContact CD2-CG 4.46Å; L95-Q99 WeakPolarHBondContact CD2-O 3.42Å; L95-L102 HydrophobicContact CD1-CD1 4.32Å; L95-L102 HydrophobicContact CD1-CD2 3.95Å; L95-L102 HydrophobicContact CD1-CG 4.34Å; L95-L102 HydrophobicContact CD2-CD2 3.88Å; L95-L102 HydrophobicContact CD2-CG 4.32Å; L95-L102 HydrophobicContact CG-CD2 3.86Å; L95-M150 HydrophobicContact CD1-CE 4.04Å; L95-M150 HydrophobicContact CD2-CE 3.44Å; L95-M150 VanDerWaalsContact CD2-CE 3.44Å; L95-M150 HydrophobicContact CG-CE 4.41Å |
| 96 | A | 93.4 | Very high | 92.4 | Very high | 93 Ų | 93 | 33.5 Ų | 33.5 | 77% | 0.769 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.2 | -25.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R92 R93 N94 | R92-A96 WeakPolarHBondContact O-CB 3.49Å; R92-A96 PolarHBondContact O-N 2.9Å; R93-A96 PolarHBondContact O-N 3.35Å; N94-A96 VanDerWaalsContact C-N 3.34Å |
| 97 | A | 91.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 29.7 Ų | 29.7 | 35% | 0.347 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 13 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R93 N94 L95 R373 | R93-A97 WeakPolarHBondContact O-CB 3.39Å; R93-A97 PolarHBondContact O-N 3.15Å; R93-A97 VanDerWaalsContact O-N 3.07Å; N94-A97 CarbonylContact O-C 3.45Å; N94-A97 PolarHBondContact O-N 3.47Å; N94-A97 VanDerWaalsContact O-N 3.11Å; L95-A97 PolarHBondContact O-N 3.45Å; A97-R373 VanDerWaalsContact CB-NH2 3.3Å; A97-R373 PolarHBondContact O-NE 3.48Å |
| 98 | G | 87.1 | Confident | 92.7 | Very high | 35 Ų | 35 | 30.3 Ų | 30.3 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.3 | -0.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N94 L95 | N94-G98 PolarHBondContact O-N 3.36Å; L95-G98 PolarHBondContact O-N 2.81Å |
| 99 | Q | 85.4 | Confident | 92.8 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | trans | -65 | 136.4 | 169.7 | -178.2 | 166.7 | -10.4 | 0 | 0 | 110.2 | Q77 N94 L95 G101 | Q77-Q99 PolarHBondContact O-NE2 3.26Å; N94-Q99 HydrophobicContact CB-CB 4.22Å; N94-Q99 VanDerWaalsContact O-CB 3.27Å; N94-Q99 WeakPolarHBondContact O-CB 3.36Å; N94-Q99 PolarHBondContact O-N 3.03Å; L95-Q99 HydrophobicContact CD2-CB 4.47Å; L95-Q99 HydrophobicContact CD2-CG 4.46Å; L95-Q99 WeakPolarHBondContact CD2-O 3.42Å; Q99-G101 VanDerWaalsContact CG-O 3.3Å; Q99-G101 WeakPolarHBondContact CG-O 3.35Å; Q99-G101 PolarHBondContact NE2-O 3.41Å | ||
| 100 | K | 86.7 | Confident | 92.9 | Very high | 118 Ų | 118 | 27.7 Ų | 27.7 | 51% | 0.513 | 15% | 0.154 | S | C | . | . | trans | -103.6 | -33.2 | -174.5 | -68.7 | -176.3 | -179.1 | 169.9 | 0 | 114 | T74 I75 | T74-K100 HydrophobicContact CG2-CB 4.07Å; I75-K100 PolarHBondContact O-N 3.28Å | ||
| 101 | G | 86.7 | Confident | 93.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -127.7 | 147.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q99 | Q99-G101 VanDerWaalsContact CG-O 3.3Å; Q99-G101 WeakPolarHBondContact CG-O 3.35Å; Q99-G101 PolarHBondContact NE2-O 3.41Å |
| 102 | L | 91.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 151.2 | 176.1 | -65.2 | 177.2 | 0 | 0 | 0 | 110.4 | Y91 L95 F142 I145 M150 S151 S153 | Y91-L102 HydrophobicContact CD1-CD2 4.37Å; Y91-L102 HydrophobicContact CG-CD2 3.99Å; L95-L102 HydrophobicContact CD1-CD1 4.32Å; L95-L102 HydrophobicContact CD1-CD2 3.95Å; L95-L102 HydrophobicContact CD1-CG 4.34Å; L95-L102 HydrophobicContact CD2-CD2 3.88Å; L95-L102 HydrophobicContact CD2-CG 4.32Å; L95-L102 HydrophobicContact CG-CD2 3.86Å; L102-F142 HydrophobicContact CD1-CE1 4.41Å; L102-I145 HydrophobicContact CD1-CD1 4Å; L102-I145 HydrophobicContact CD1-CG2 3.78Å; L102-M150 HydrophobicContact CD1-CE 4.48Å; L102-M150 HydrophobicContact CG-CE 4.11Å; L102-S151 PolarHBondContact N-O 3.06Å; L102-S153 PolarHBondContact O-N 3.06Å |
| 103 | S | 92.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 112 | 174.4 | -164.8 | 0 | 0 | 0 | 0 | 108.8 | Q77 Y78 A79 S153 | Q77-S103 WeakPolarHBondContact O-CB 3.21Å; Y78-S103 WeakPolarHBondContact CD2-OG 3.4Å; A79-S103 PolarHBondContact N-O 2.86Å; S103-S153 CarbonylContact C-O 3.48Å; S103-S153 VanDerWaalsContact CA-O 3.31Å; S103-S153 WeakPolarHBondContact CA-O 3.35Å; S103-S153 VanDerWaalsContact OG-CB 3.22Å; S103-S153 WeakPolarHBondContact OG-CB 3.44Å |
| 104 | V | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.8 | -168.3 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | Y78 Y91 F106 V130 L141 F142 V152 S153 M154 T155 | Y78-V104 VanDerWaalsContact CE2-C 3.47Å; Y78-V104 WeakPolarHBondContact CE2-O 3.45Å; Y91-V104 HydrophobicContact CE2-CG2 4.31Å; V104-F106 HydrophobicContact CB-CE2 4.11Å; V104-F106 HydrophobicContact CB-CZ 3.95Å; V104-F106 HydrophobicContact CG1-CD1 4.04Å; V104-F106 HydrophobicContact CG1-CD2 4.3Å; V104-F106 HydrophobicContact CG1-CE1 3.55Å; V104-F106 HydrophobicContact CG1-CE2 3.85Å; V104-F106 HydrophobicContact CG1-CG 4.4Å; V104-F106 HydrophobicContact CG1-CZ 3.45Å; V104-F106 VanDerWaalsContact CG1-CZ 3.45Å; V104-V130 HydrophobicContact CG1-CG1 3.92Å; V104-L141 HydrophobicContact CG1-CD2 3.84Å; V104-L141 HydrophobicContact CG2-CD2 4.3Å; V104-F142 HydrophobicContact CG2-CE1 4.33Å; V104-F142 HydrophobicContact CG2-CZ 4.02Å; V104-V152 HydrophobicContact CG2-CG1 4.14Å; V104-S153 PolarHBondContact N-O 2.96Å; V104-M154 HydrophobicContact CB-CG 4.4Å; V104-M154 HydrophobicContact CG2-CG 4.42Å; V104-T155 PolarHBondContact O-N 3.15Å |
| 105 | A | 95.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -94 | 122.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y78 A79 G129 V130 | Y78-A105 HydrophobicContact CD1-CB 4.02Å; Y78-A105 HydrophobicContact CD2-CB 4.29Å; Y78-A105 HydrophobicContact CE1-CB 3.44Å; Y78-A105 VanDerWaalsContact CE1-CB 3.44Å; Y78-A105 HydrophobicContact CE2-CB 3.76Å; Y78-A105 HydrophobicContact CG-CB 4.42Å; Y78-A105 VanDerWaalsContact CZ-CA 3.4Å; Y78-A105 VanDerWaalsContact OH-CA 3.32Å; Y78-A105 WeakPolarHBondContact OH-CA 3.41Å; A79-A105 PolarHBondContact O-N 3.02Å; A105-G129 CarbonylContact O-C 3.55Å; A105-G129 WeakPolarHBondContact O-CA 3.38Å; A105-V130 WeakPolarHBondContact O-CG1 3.29Å; A105-V130 PolarHBondContact O-N 3.43Å |
| 106 | F | 97.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -101.8 | 152.7 | 179.8 | -57.5 | -83.6 | 0 | 0 | 0 | 110.4 | V104 T110 H111 V130 I132 M138 M154 T155 M156 V163 | V104-F106 HydrophobicContact CB-CE2 4.11Å; V104-F106 HydrophobicContact CB-CZ 3.95Å; V104-F106 HydrophobicContact CG1-CD1 4.04Å; V104-F106 HydrophobicContact CG1-CD2 4.3Å; V104-F106 HydrophobicContact CG1-CE1 3.55Å; V104-F106 HydrophobicContact CG1-CE2 3.85Å; V104-F106 HydrophobicContact CG1-CG 4.4Å; V104-F106 HydrophobicContact CG1-CZ 3.45Å; V104-F106 VanDerWaalsContact CG1-CZ 3.45Å; F106-T110 HydrophobicContact CB-CG2 3.95Å; F106-T110 HydrophobicContact CD1-CG2 3.95Å; F106-T110 HydrophobicContact CG-CG2 4.17Å; F106-H111 PolarHBondContact O-CD2 3.15Å; F106-H111 VanDerWaalsContact O-CD2 3.32Å; F106-V130 WeakPolarHBondContact CA-O 3.42Å; F106-V130 HydrophobicContact CD1-CG1 3.93Å; F106-V130 HydrophobicContact CE1-CG1 4.39Å; F106-I132 HydrophobicContact CD1-CG1 3.85Å; F106-I132 HydrophobicContact CE1-CG1 3.97Å; F106-M138 HydrophobicContact CE1-CE 4.21Å; F106-M154 HydrophobicContact CE2-CB 3.91Å; F106-M154 HydrophobicContact CE2-CG 4.3Å; F106-M154 HydrophobicContact CZ-CB 4.15Å; F106-M154 HydrophobicContact CZ-CG 4.06Å; F106-M154 HydrophobicContact CZ-SD 4.32Å; F106-T155 WeakPolarHBondContact CD2-O 3.46Å; F106-M156 HydrophobicContact CB-CE 3.49Å; F106-M156 VanDerWaalsContact CB-CE 3.49Å; F106-M156 HydrophobicContact CD1-CE 4.32Å; F106-M156 HydrophobicContact CD2-CB 4.16Å; F106-M156 HydrophobicContact CD2-CE 3.42Å; F106-M156 VanDerWaalsContact CD2-CE 3.42Å; F106-M156 HydrophobicContact CE2-CB 4.03Å; F106-M156 HydrophobicContact CE2-CE 4.19Å; F106-M156 HydrophobicContact CG-CE 3.48Å; F106-M156 VanDerWaalsContact CG-CE 3.48Å; F106-V163 HydrophobicContact CE1-CG1 3.94Å; F106-V163 HydrophobicContact CE2-CG1 4.05Å; F106-V163 HydrophobicContact CZ-CG1 3.52Å |
| 107 | D | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 168.9 | 173.9 | 75.2 | 3.9 | 0 | 0 | 0 | 112.5 | A109 T110 H111 V125 G126 V130 A131 | D107-A109 VanDerWaalsContact C-N 3.3Å; D107-A109 PolarHBondContact O-N 3.43Å; D107-A109 PolarHBondContact OD1-N 3.43Å; D107-T110 PolarHBondContact O-N 2.69Å; D107-T110 WeakPolarHBondContact OD1-CB 3.29Å; D107-T110 PolarHBondContact OD1-N 3.25Å; D107-T110 PolarHBondContact OD1-OG1 3.03Å; D107-H111 PolarHBondContact O-CD2 2.92Å; D107-H111 VanDerWaalsContact O-CD2 3.25Å; D107-H111 PolarHBondContact O-N 2.94Å; D107-V125 WeakPolarHBondContact OD2-CA 3.38Å; D107-G126 PolarHBondContact OD2-N 3.16Å; D107-V130 PolarHBondContact N-O 3.4Å; D107-A131 WeakPolarHBondContact OD2-CA 3.49Å; D107-A131 VanDerWaalsContact OD2-CB 3.27Å; D107-A131 WeakPolarHBondContact OD2-CB 3.45Å |
| 108 | L | 97.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 15 Ų | 15 | 7% | 0.068 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.1 | -23.7 | -175.4 | -66.7 | 172.2 | 0 | 0 | 0 | 113 | R112 D124 A128 T198 Q594 A645 | L108-R112 WeakPolarHBondContact O-CG 3.17Å; L108-R112 PolarHBondContact O-N 3.16Å; L108-D124 HydrophobicContact CB-CB 4.37Å; L108-A128 HydrophobicContact CD1-CB 4.41Å; L108-A128 HydrophobicContact CG-CB 4.03Å; L108-T198 HydrophobicContact CD2-CG2 4.27Å; L108-Q594 HydrophobicContact CB-CB 3.55Å; L108-Q594 HydrophobicContact CD1-CB 4.36Å; L108-A645 HydrophobicContact CD1-CB 3.52Å |
| 109 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.4 | -54.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D107 H111 R112 G113 Y114 V121 | D107-A109 VanDerWaalsContact C-N 3.3Å; D107-A109 PolarHBondContact O-N 3.43Å; D107-A109 PolarHBondContact OD1-N 3.43Å; A109-H111 VanDerWaalsContact C-N 3.3Å; A109-H111 PolarHBondContact O-N 3.49Å; A109-R112 CarbonylContact O-C 3.52Å; A109-R112 PolarHBondContact O-N 3.06Å; A109-R112 VanDerWaalsContact O-N 3.1Å; A109-G113 PolarHBondContact O-N 3.12Å; A109-Y114 CarbonylContact C-O 3.56Å; A109-Y114 PolarHBondContact O-N 3.05Å; A109-V121 HydrophobicContact CB-CB 3.8Å; A109-V121 HydrophobicContact CB-CG1 4.07Å; A109-V121 HydrophobicContact CB-CG2 3.74Å |
| 110 | T | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.6 | -47.7 | 175.4 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | F106 D107 R112 G113 I132 M156 A159 V163 L528 | F106-T110 HydrophobicContact CB-CG2 3.95Å; F106-T110 HydrophobicContact CD1-CG2 3.95Å; F106-T110 HydrophobicContact CG-CG2 4.17Å; D107-T110 PolarHBondContact O-N 2.69Å; D107-T110 WeakPolarHBondContact OD1-CB 3.29Å; D107-T110 PolarHBondContact OD1-N 3.25Å; D107-T110 PolarHBondContact OD1-OG1 3.03Å; T110-R112 PolarHBondContact O-N 2.92Å; T110-G113 PolarHBondContact O-N 2.69Å; T110-I132 HydrophobicContact CG2-CB 4.02Å; T110-I132 PolarHBondContact OG1-N 3.38Å; T110-I132 VanDerWaalsContact OG1-N 3.13Å; T110-M156 HydrophobicContact CG2-CE 3.81Å; T110-A159 WeakPolarHBondContact O-CB 3.29Å; T110-V163 HydrophobicContact CG2-CG2 3.94Å; T110-L528 HydrophobicContact CG2-CD1 3.67Å |
| 111 | H | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.2 | -38.2 | -180 | -95.9 | -68 | 0 | 0 | 0 | 113.8 | F106 D107 A109 T155 M156 A159 R196 T198 | F106-H111 PolarHBondContact O-CD2 3.15Å; F106-H111 VanDerWaalsContact O-CD2 3.32Å; D107-H111 PolarHBondContact O-CD2 2.92Å; D107-H111 VanDerWaalsContact O-CD2 3.25Å; D107-H111 PolarHBondContact O-N 2.94Å; A109-H111 VanDerWaalsContact C-N 3.3Å; A109-H111 PolarHBondContact O-N 3.49Å; H111-T155 PolarHBondContact CE1-O 3.13Å; H111-T155 PolarHBondContact NE2-O 2.97Å; H111-M156 HydrophobicContact CB-CE 4.33Å; H111-M156 HydrophobicContact CB-SD 4.47Å; H111-A159 PolarHBondContact O-N 3.37Å; H111-A159 VanDerWaalsContact O-N 3.09Å; H111-R196 PolarHBondContact CE1-NH1 3.2Å; H111-R196 PolarHBondContact CE1-NH2 3.48Å; H111-R196 PolarHBondContact ND1-NH1 3.15Å; H111-R196 PolarHBondContact NE2-NH2 3.26Å; H111-T198 HydrophobicContact CB-CG2 4.18Å |
| 112 | R | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 13.5 | -172 | -60.9 | -156.6 | 69.7 | -125.5 | 3.9 | 113.6 | L108 A109 T110 Y114 Y199 I200 R541 F621 | L108-R112 WeakPolarHBondContact O-CG 3.17Å; L108-R112 PolarHBondContact O-N 3.16Å; A109-R112 CarbonylContact O-C 3.52Å; A109-R112 PolarHBondContact O-N 3.06Å; A109-R112 VanDerWaalsContact O-N 3.1Å; T110-R112 PolarHBondContact O-N 2.92Å; R112-Y114 HydrophobicContact CB-CD2 4.15Å; R112-Y114 HydrophobicContact CB-CE2 4.36Å; R112-Y199 PolarHBondContact NE-O 2.95Å; R112-Y199 PolarHBondContact NH2-O 3.04Å; R112-I200 WeakPolarHBondContact O-CD1 3.12Å; R112-I200 WeakPolarHBondContact O-CG1 3.28Å; R112-R541 PolarHBondContact O-NH2 2.87Å; R112-F621 VanDerWaalsContact CZ-CG 3.48Å; R112-F621 VanDerWaalsContact NH1-CD2 3.31Å |
| 113 | G | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 29.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A109 T110 L528 G529 S532 | A109-G113 PolarHBondContact O-N 3.12Å; T110-G113 PolarHBondContact O-N 2.69Å; G113-L528 VanDerWaalsContact C-CD2 3.46Å; G113-L528 VanDerWaalsContact CA-CD2 3.45Å; G113-G529 WeakPolarHBondContact O-CA 3.32Å; G113-S532 WeakPolarHBondContact CA-OG 3.43Å |
| 114 | Y | 98.6 | Very high | 96.7 | Very high | 23 Ų | 23 | 17.1 Ų | 17.1 | 9% | 0.09 | 9% | 0.093 | C | C | . | . | trans | -113.6 | 135.9 | 177.8 | -67.2 | -53.9 | 0 | 0 | 0 | 111.4 | A109 R112 N118 V121 R541 | A109-Y114 CarbonylContact C-O 3.56Å; A109-Y114 PolarHBondContact O-N 3.05Å; R112-Y114 HydrophobicContact CB-CD2 4.15Å; R112-Y114 HydrophobicContact CB-CE2 4.36Å; Y114-N118 HydrophobicContact CD1-CB 4.48Å; Y114-N118 VanDerWaalsContact CD1-ND2 3.35Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.4Å; Y114-V121 HydrophobicContact CD2-CG1 3.46Å; Y114-V121 VanDerWaalsContact CD2-CG1 3.46Å; Y114-V121 HydrophobicContact CE2-CG1 4.31Å; Y114-V121 HydrophobicContact CG-CG1 3.83Å; Y114-R541 VanDerWaalsContact CE2-NH2 3.27Å; Y114-R541 PolarHBondContact OH-NE 3.43Å; Y114-R541 PolarHBondContact OH-NH1 2.94Å; Y114-R541 PolarHBondContact OH-NH2 3.21Å | ||
| 115 | D | 98.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | trans | -69 | 151.5 | 165.8 | -70.9 | -13.7 | 0 | 0 | 0 | 110.5 | D117 N118 D133 L485 R489 T527 L528 G529 | D115-D117 VanDerWaalsContact CB-OD1 3.24Å; D115-D117 WeakPolarHBondContact CB-OD1 3.14Å; D115-D117 PolarHBondContact O-N 2.58Å; D115-D117 VanDerWaalsContact O-N 3.09Å; D115-N118 VanDerWaalsContact O-CB 3.24Å; D115-N118 WeakPolarHBondContact O-CB 3.23Å; D115-N118 PolarHBondContact O-N 3.41Å; D115-D133 VanDerWaalsContact CA-OD1 3.31Å; D115-D133 WeakPolarHBondContact CA-OD1 3.45Å; D115-L485 HydrophobicContact CB-CD1 4.05Å; D115-R489 IonicContact OD2-NH2 3.26Å; D115-R489 PolarHBondContact OD2-NH2 3.29Å; D115-T527 VanDerWaalsContact CG-OG1 3.28Å; D115-T527 VanDerWaalsContact OD1-CB 3.27Å; D115-T527 WeakPolarHBondContact OD1-CB 3.23Å; D115-T527 PolarHBondContact OD1-OG1 3.49Å; D115-T527 WeakPolarHBondContact OD2-CB 3.22Å; D115-T527 PolarHBondContact OD2-OG1 3.22Å; D115-L528 PolarHBondContact OD1-N 3.4Å; D115-G529 WeakPolarHBondContact OD1-CA 3.43Å; D115-G529 PolarHBondContact OD1-N 3.38Å | ||
| 116 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.3 | 180 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | D133 Q481 | S116-D133 VanDerWaalsContact CB-OD2 3.25Å; S116-D133 WeakPolarHBondContact CB-OD2 3.39Å; S116-D133 PolarHBondContact N-OD1 2.66Å; S116-D133 VanDerWaalsContact OG-CG 3.28Å; S116-D133 PolarHBondContact OG-OD1 3.25Å; S116-D133 VanDerWaalsContact OG-OD1 3.05Å; S116-D133 PolarHBondContact OG-OD2 3.44Å; S116-Q481 VanDerWaalsContact CB-CB 3.5Å; S116-Q481 WeakPolarHBondContact OG-CB 3.2Å |
| 117 | D | 97.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 17.9 Ų | 17.9 | 29% | 0.289 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.4 | 176.5 | 71.4 | -22.6 | 0 | 0 | 0 | 113.5 | D115 I482 L485 R489 | D115-D117 VanDerWaalsContact CB-OD1 3.24Å; D115-D117 WeakPolarHBondContact CB-OD1 3.14Å; D115-D117 PolarHBondContact O-N 2.58Å; D115-D117 VanDerWaalsContact O-N 3.09Å; D117-I482 HydrophobicContact CB-CG1 3.85Å; D117-L485 HydrophobicContact CB-CD1 4.07Å; D117-R489 IonicContact OD1-NH2 3.72Å; D117-R489 PolarHBondContact OD1-NH2 2.97Å; D117-R489 IonicContact OD2-CZ 3.87Å; D117-R489 IonicContact OD2-NH1 3.85Å; D117-R489 PolarHBondContact OD2-NH1 3.33Å; D117-R489 IonicContact OD2-NH2 2.82Å; D117-R489 PolarHBondContact OD2-NH2 3.05Å; D117-R489 VanDerWaalsContact OD2-NH2 3.1Å |
| 118 | N | 97.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 19.7 Ų | 19.7 | 23% | 0.225 | 11% | 0.111 | C | C | . | . | trans | -68.3 | 128.4 | 178.2 | -169.6 | -53.8 | 0 | 0 | 0 | 110.9 | Y114 D115 R120 V121 | Y114-N118 HydrophobicContact CD1-CB 4.48Å; Y114-N118 VanDerWaalsContact CD1-ND2 3.35Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.4Å; D115-N118 VanDerWaalsContact O-CB 3.24Å; D115-N118 WeakPolarHBondContact O-CB 3.23Å; D115-N118 PolarHBondContact O-N 3.41Å; N118-R120 PolarHBondContact O-N 3.37Å; N118-R120 VanDerWaalsContact O-N 3.13Å; N118-R120 WeakPolarHBondContact OD1-CB 3.19Å; N118-R120 PolarHBondContact OD1-N 3.11Å; N118-V121 HydrophobicContact CB-CG2 4.11Å; N118-V121 WeakPolarHBondContact O-CG2 3.32Å; N118-V121 PolarHBondContact O-N 3.31Å | ||
| 119 | P | 94.6 | Very high | 96 | Very high | 108 Ų | 108 | 19.1 Ų | 19.1 | 70% | 0.701 | 11% | 0.108 | S | C | * | . | G | 310 helix | trans | -61.7 | -24.7 | -177.2 | 23.7 | -34.2 | 0 | 0 | 0 | 113.8 | V121 | P119-V121 PolarHBondContact O-N 2.91Š|
| 120 | R | 95.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 19.1 Ų | 19.1 | 30% | 0.298 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -74.6 | -9.9 | -178.9 | -61.2 | -164.1 | 71 | 78.4 | -1.4 | 114.6 | N118 Q594 F621 T623 E626 | N118-R120 PolarHBondContact O-N 3.37Å; N118-R120 VanDerWaalsContact O-N 3.13Å; N118-R120 WeakPolarHBondContact OD1-CB 3.19Å; N118-R120 PolarHBondContact OD1-N 3.11Å; R120-Q594 PolarHBondContact O-NE2 2.85Å; R120-F621 PolarHBondContact NH2-O 2.85Å; R120-T623 VanDerWaalsContact NH1-CG2 3.25Å; R120-E626 IonicContact CZ-OE1 2.87Å; R120-E626 IonicContact CZ-OE2 3.42Å; R120-E626 IonicContact NH1-OE1 3.3Å; R120-E626 PolarHBondContact NH1-OE1 3.25Å; R120-E626 IonicContact NH1-OE2 3.39Å; R120-E626 IonicContact NH2-OE1 3.98Å; R120-E626 PolarHBondContact NH2-OE1 2.87Å; R120-E626 IonicContact NH2-OE2 2.85Å; R120-E626 PolarHBondContact NH2-OE2 2.86Å |
| 121 | V | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -121.4 | 11.8 | -175.8 | -52.8 | 0 | 0 | 0 | 0 | 113 | A109 Y114 N118 P119 G123 D124 V125 Q594 | A109-V121 HydrophobicContact CB-CB 3.8Å; A109-V121 HydrophobicContact CB-CG1 4.07Å; A109-V121 HydrophobicContact CB-CG2 3.74Å; Y114-V121 HydrophobicContact CD2-CG1 3.46Å; Y114-V121 VanDerWaalsContact CD2-CG1 3.46Å; Y114-V121 HydrophobicContact CE2-CG1 4.31Å; Y114-V121 HydrophobicContact CG-CG1 3.83Å; N118-V121 HydrophobicContact CB-CG2 4.11Å; N118-V121 WeakPolarHBondContact O-CG2 3.32Å; N118-V121 PolarHBondContact O-N 3.31Å; P119-V121 PolarHBondContact O-N 2.91Å; V121-G123 PolarHBondContact O-N 2.93Å; V121-D124 HydrophobicContact CB-CB 4.42Å; V121-D124 PolarHBondContact O-N 3.45Å; V121-V125 HydrophobicContact CG2-CG2 4.07Å; V121-V125 WeakPolarHBondContact O-CG2 3.27Å; V121-V125 PolarHBondContact O-N 3.39Å; V121-Q594 HydrophobicContact CB-CG 4.31Å; V121-Q594 HydrophobicContact CG1-CG 3.6Å |
| 122 | A | 91.3 | Very high | 95.9 | Very high | 17 Ų | 17 | 19 Ų | 19 | 14% | 0.14 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -35 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N474 | A122-N474 PolarHBondContact O-ND2 2.86Š|
| 123 | G | 91.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -9.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V121 K127 | V121-G123 PolarHBondContact O-N 2.93Å; G123-K127 WeakPolarHBondContact O-CG 3.44Å |
| 124 | D | 95.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -21.3 | -169.9 | -57.8 | -78.2 | 0 | 0 | 0 | 113.4 | L108 V121 G126 K127 Q594 | L108-D124 HydrophobicContact CB-CB 4.37Å; V121-D124 HydrophobicContact CB-CB 4.42Å; V121-D124 PolarHBondContact O-N 3.45Å; D124-G126 PolarHBondContact O-N 3.07Å; D124-K127 PolarHBondContact O-N 2.99Å; D124-Q594 HydrophobicContact CB-CB 4.33Å; D124-Q594 HydrophobicContact CB-CG 4.31Å; D124-Q594 VanDerWaalsContact CG-N 3.34Å; D124-Q594 PolarHBondContact OD1-N 2.87Å; D124-Q594 WeakPolarHBondContact OD2-CG 3Å; D124-Q594 PolarHBondContact OD2-N 2.87Å |
| 125 | V | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 121.2 | -176.4 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | D107 V121 K127 A131 V477 R478 | D107-V125 WeakPolarHBondContact OD2-CA 3.38Å; V121-V125 HydrophobicContact CG2-CG2 4.07Å; V121-V125 WeakPolarHBondContact O-CG2 3.27Å; V121-V125 PolarHBondContact O-N 3.39Å; V125-K127 PolarHBondContact O-N 3.43Å; V125-A131 HydrophobicContact CG1-CB 4Å; V125-V477 HydrophobicContact CG1-CG1 4.19Å; V125-R478 HydrophobicContact CB-CB 4.26Å; V125-R478 HydrophobicContact CG1-CB 4.23Å; V125-R478 HydrophobicContact CG2-CG 4.38Å |
| 126 | G | 94 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 0.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | S82 D107 D124 G129 | S82-G126 WeakPolarHBondContact CA-O 3.2Å; S82-G126 PolarHBondContact N-O 2.9Å; D107-G126 PolarHBondContact OD2-N 3.16Å; D124-G126 PolarHBondContact O-N 3.07Å; G126-G129 CarbonylContact C-O 3.49Å; G126-G129 VanDerWaalsContact C-O 3.31Å; G126-G129 WeakPolarHBondContact CA-O 3.32Å |
| 127 | K | 91.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 19.8 Ų | 19.8 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -60 | -175.5 | -73.3 | -62.2 | -158.4 | -172.4 | 0 | 112.6 | G123 D124 V125 G129 I472 N474 A646 | G123-K127 WeakPolarHBondContact O-CG 3.44Å; D124-K127 PolarHBondContact O-N 2.99Å; V125-K127 PolarHBondContact O-N 3.43Å; K127-G129 VanDerWaalsContact C-N 3.33Å; K127-I472 HydrophobicContact CD-CB 4.42Å; K127-I472 HydrophobicContact CD-CG2 4.49Å; K127-I472 PolarHBondContact NZ-O 3.08Å; K127-I472 WeakPolarHBondContact O-CD1 3.32Å; K127-N474 HydrophobicContact CD-CB 3.97Å; K127-N474 HydrophobicContact CG-CB 4.21Å; K127-N474 PolarHBondContact NZ-OD1 3.01Å; K127-A646 HydrophobicContact CD-CB 4.28Å; K127-A646 WeakPolarHBondContact CE-O 3.33Å |
| 128 | A | 91 | Very high | 96 | Very high | 39 Ų | 39 | 17.2 Ų | 17.2 | 32% | 0.322 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -83.6 | -8.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L108 | L108-A128 HydrophobicContact CD1-CB 4.41Å; L108-A128 HydrophobicContact CG-CB 4.03Å |
| 129 | G | 95 | Very high | 96 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 179.9 | -169 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G80 S82 A105 G126 K127 | G80-G129 WeakPolarHBondContact O-CA 3.31Å; S82-G129 PolarHBondContact N-O 3.08Å; A105-G129 CarbonylContact O-C 3.55Å; A105-G129 WeakPolarHBondContact O-CA 3.38Å; G126-G129 CarbonylContact C-O 3.49Å; G126-G129 VanDerWaalsContact C-O 3.31Å; G126-G129 WeakPolarHBondContact CA-O 3.32Å; K127-G129 VanDerWaalsContact C-N 3.33Å |
| 130 | V | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 134.6 | 175.5 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | A84 V104 A105 F106 D107 I132 L141 | A84-V130 HydrophobicContact CB-CG2 4.03Å; V104-V130 HydrophobicContact CG1-CG1 3.92Å; A105-V130 WeakPolarHBondContact O-CG1 3.29Å; A105-V130 PolarHBondContact O-N 3.43Å; F106-V130 WeakPolarHBondContact CA-O 3.42Å; F106-V130 HydrophobicContact CD1-CG1 3.93Å; F106-V130 HydrophobicContact CE1-CG1 4.39Å; D107-V130 PolarHBondContact N-O 3.4Å; V130-I132 HydrophobicContact CG1-CD1 4.26Å; V130-I132 HydrophobicContact CG1-CG1 4.02Å; V130-I132 HydrophobicContact CG2-CD1 4.07Å; V130-I132 HydrophobicContact CG2-CG1 4.45Å; V130-L141 HydrophobicContact CG1-CD1 4.45Å; V130-L141 HydrophobicContact CG1-CD2 4.29Å; V130-L141 HydrophobicContact CG2-CD1 4.26Å |
| 131 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -77.8 | 126.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S82 D107 V125 Q481 | S82-A131 PolarHBondContact O-N 3.03Å; D107-A131 WeakPolarHBondContact OD2-CA 3.49Å; D107-A131 VanDerWaalsContact OD2-CB 3.27Å; D107-A131 WeakPolarHBondContact OD2-CB 3.45Å; V125-A131 HydrophobicContact CG1-CB 4Å; A131-Q481 HydrophobicContact CB-CG 3.96Å; A131-Q481 PolarHBondContact O-NE2 2.72Å | ||
| 132 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -131.9 | 112.7 | 178.5 | -60.6 | -65.9 | 0 | 0 | 0 | 109.1 | A84 F106 T110 V130 D137 M138 L141 F166 L528 | A84-I132 HydrophobicContact CB-CD1 4.49Å; F106-I132 HydrophobicContact CD1-CG1 3.85Å; F106-I132 HydrophobicContact CE1-CG1 3.97Å; T110-I132 HydrophobicContact CG2-CB 4.02Å; T110-I132 PolarHBondContact OG1-N 3.38Å; T110-I132 VanDerWaalsContact OG1-N 3.13Å; V130-I132 HydrophobicContact CG1-CD1 4.26Å; V130-I132 HydrophobicContact CG1-CG1 4.02Å; V130-I132 HydrophobicContact CG2-CD1 4.07Å; V130-I132 HydrophobicContact CG2-CG1 4.45Å; I132-D137 HydrophobicContact CD1-CB 3.69Å; I132-D137 HydrophobicContact CG2-CB 4.42Å; I132-M138 HydrophobicContact CG2-CE 4.11Å; I132-L141 HydrophobicContact CD1-CD2 4.33Å; I132-F166 HydrophobicContact CG2-CD2 3.85Å; I132-F166 HydrophobicContact CG2-CE2 4.3Å; I132-L528 WeakPolarHBondContact O-CD1 3.42Å | ||
| 133 | D | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | trans | -107.7 | -27.9 | -180 | -62.4 | -50 | 0 | 0 | 0 | 111.9 | D115 S116 D137 Q481 L485 T527 L528 | D115-D133 VanDerWaalsContact CA-OD1 3.31Å; D115-D133 WeakPolarHBondContact CA-OD1 3.45Å; S116-D133 VanDerWaalsContact CB-OD2 3.25Å; S116-D133 WeakPolarHBondContact CB-OD2 3.39Å; S116-D133 PolarHBondContact N-OD1 2.66Å; S116-D133 VanDerWaalsContact OG-CG 3.28Å; S116-D133 PolarHBondContact OG-OD1 3.25Å; S116-D133 VanDerWaalsContact OG-OD1 3.05Å; S116-D133 PolarHBondContact OG-OD2 3.44Å; D133-D137 PolarHBondContact N-OD2 2.84Å; D133-Q481 PolarHBondContact OD2-OE1 3.04Å; D133-L485 HydrophobicContact CB-CD1 4.25Å; D133-L485 HydrophobicContact CB-CD2 3.8Å; D133-L485 HydrophobicContact CB-CG 4.07Å; D133-T527 CarbonylContact O-C 3.6Å; D133-T527 VanDerWaalsContact O-CA 3.29Å; D133-T527 WeakPolarHBondContact O-CA 3.41Å; D133-L528 PolarHBondContact O-N 3.15Å | ||
| 134 | T | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -144.1 | 174.7 | -176.5 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | E136 D137 M138 L485 I488 T527 | T134-E136 PolarHBondContact O-N 2.92Å; T134-E136 PolarHBondContact OG1-N 3.19Å; T134-D137 PolarHBondContact N-OD2 2.81Å; T134-D137 PolarHBondContact O-N 3.36Å; T134-D137 PolarHBondContact OG1-OD2 3.26Å; T134-D137 VanDerWaalsContact OG1-OD2 3.12Å; T134-M138 PolarHBondContact O-N 2.85Å; T134-L485 HydrophobicContact CG2-CD2 4.24Å; T134-I488 HydrophobicContact CG2-CG2 4.33Å; T134-T527 HydrophobicContact CG2-CG2 4.08Å |
| 135 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.4 | -25.8 | 169.3 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | M138 K139 F166 V169 R525 | V135-M138 PolarHBondContact O-N 2.85Å; V135-K139 HydrophobicContact CG2-CD 4.31Å; V135-K139 HydrophobicContact CG2-CG 4.48Å; V135-K139 VanDerWaalsContact O-CG 3.3Å; V135-K139 WeakPolarHBondContact O-CG 3.31Å; V135-K139 PolarHBondContact O-N 2.99Å; V135-F166 HydrophobicContact CB-CB 4.49Å; V135-F166 HydrophobicContact CB-CD1 3.93Å; V135-F166 HydrophobicContact CB-CG 4.4Å; V135-V169 HydrophobicContact CG2-CB 3.8Å; V135-V169 HydrophobicContact CG2-CG1 3.7Å; V135-R525 HydrophobicContact CG1-CG 4.08Å |
| 136 | E | 98.6 | Very high | 97 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | 179.8 | -59.9 | -55.7 | 145.8 | 0 | 0 | 112 | T134 M138 K139 V140 I488 R525 | T134-E136 PolarHBondContact O-N 2.92Å; T134-E136 PolarHBondContact OG1-N 3.19Å; E136-M138 VanDerWaalsContact C-N 3.33Å; E136-K139 WeakPolarHBondContact O-CB 3.47Å; E136-K139 PolarHBondContact O-N 3.43Å; E136-K139 IonicContact OE1-NZ 2.83Å; E136-K139 PolarHBondContact OE1-NZ 2.97Å; E136-K139 WeakPolarHBondContact OE2-CE 3.4Å; E136-K139 IonicContact OE2-NZ 3.91Å; E136-K139 PolarHBondContact OE2-NZ 2.85Å; E136-V140 WeakPolarHBondContact O-CG2 3.45Å; E136-V140 PolarHBondContact O-N 2.82Å; E136-I488 HydrophobicContact CB-CD1 4.5Å; E136-I488 HydrophobicContact CG-CD1 3.64Å; E136-I488 HydrophobicContact CG-CG1 4.44Å; E136-R525 IonicContact OE1-CZ 3.87Å; E136-R525 VanDerWaalsContact OE1-CZ 3.28Å; E136-R525 IonicContact OE1-NE 3.02Å; E136-R525 PolarHBondContact OE1-NE 3.25Å; E136-R525 IonicContact OE1-NH2 3.34Å; E136-R525 PolarHBondContact OE1-NH2 2.98Å |
| 137 | D | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 175.8 | -48.2 | -55.5 | 0 | 0 | 0 | 110.4 | A84 I132 D133 T134 K139 V140 L141 Q481 | A84-D137 WeakPolarHBondContact CB-O 3.43Å; I132-D137 HydrophobicContact CD1-CB 3.69Å; I132-D137 HydrophobicContact CG2-CB 4.42Å; D133-D137 PolarHBondContact N-OD2 2.84Å; T134-D137 PolarHBondContact N-OD2 2.81Å; T134-D137 PolarHBondContact O-N 3.36Å; T134-D137 PolarHBondContact OG1-OD2 3.26Å; T134-D137 VanDerWaalsContact OG1-OD2 3.12Å; D137-K139 VanDerWaalsContact C-N 3.32Å; D137-K139 PolarHBondContact O-N 3.26Å; D137-V140 PolarHBondContact O-N 3.3Å; D137-L141 WeakPolarHBondContact O-CB 3.43Å; D137-L141 PolarHBondContact O-N 2.82Å; D137-Q481 PolarHBondContact OD1-OE1 2.62Å |
| 138 | M | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 175.2 | -164.8 | 64.5 | 76.3 | 0 | 0 | 112.4 | F106 I132 T134 V135 E136 L141 F142 V163 F166 A170 | F106-M138 HydrophobicContact CE1-CE 4.21Å; I132-M138 HydrophobicContact CG2-CE 4.11Å; T134-M138 PolarHBondContact O-N 2.85Å; V135-M138 PolarHBondContact O-N 2.85Å; E136-M138 VanDerWaalsContact C-N 3.33Å; M138-L141 WeakPolarHBondContact O-CB 3.44Å; M138-L141 PolarHBondContact O-N 3.23Å; M138-L141 HydrophobicContact SD-CD2 3.98Å; M138-F142 HydrophobicContact CG-CD2 4.08Å; M138-F142 HydrophobicContact CG-CE2 4.03Å; M138-F142 WeakPolarHBondContact O-CD2 3.5Å; M138-F142 PolarHBondContact O-N 3.1Å; M138-F142 HydrophobicContact SD-CD2 3.97Å; M138-F142 HydrophobicContact SD-CE2 3.39Å; M138-F142 WeakPolarHBondContact SD-CE2 3.36Å; M138-F142 HydrophobicContact SD-CZ 4.3Å; M138-V163 HydrophobicContact CE-CG1 4.12Å; M138-F166 HydrophobicContact CB-CB 3.95Å; M138-F166 HydrophobicContact CE-CB 4.02Å; M138-F166 HydrophobicContact CG-CB 4.12Å; M138-A170 HydrophobicContact CB-CB 4.27Å; M138-A170 HydrophobicContact CG-CB 3.91Å |
| 139 | K | 98.5 | Very high | 97.5 | Very high | 62 Ų | 62 | 31.9 Ų | 31.9 | 27% | 0.27 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.1 | -73.2 | 162.9 | 61.1 | 179.4 | 0 | 111.8 | V135 E136 D137 L141 F142 D143 A170 E173 | V135-K139 HydrophobicContact CG2-CD 4.31Å; V135-K139 HydrophobicContact CG2-CG 4.48Å; V135-K139 VanDerWaalsContact O-CG 3.3Å; V135-K139 WeakPolarHBondContact O-CG 3.31Å; V135-K139 PolarHBondContact O-N 2.99Å; E136-K139 WeakPolarHBondContact O-CB 3.47Å; E136-K139 PolarHBondContact O-N 3.43Å; E136-K139 IonicContact OE1-NZ 2.83Å; E136-K139 PolarHBondContact OE1-NZ 2.97Å; E136-K139 WeakPolarHBondContact OE2-CE 3.4Å; E136-K139 IonicContact OE2-NZ 3.91Å; E136-K139 PolarHBondContact OE2-NZ 2.85Å; D137-K139 VanDerWaalsContact C-N 3.32Å; D137-K139 PolarHBondContact O-N 3.26Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-F142 CarbonylContact O-C 3.58Å; K139-F142 PolarHBondContact O-N 2.91Å; K139-D143 PolarHBondContact O-N 3.43Å; K139-A170 HydrophobicContact CG-CB 3.94Å; K139-E173 WeakPolarHBondContact CD-OE2 3.2Å; K139-E173 WeakPolarHBondContact CE-OE2 3.35Å; K139-E173 IonicContact NZ-OE2 3.31Å; K139-E173 PolarHBondContact NZ-OE2 2.79Å |
| 140 | V | 98.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 33 Ų | 33 | 39% | 0.388 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | A84 K85 E136 D137 F142 D143 | A84-V140 HydrophobicContact CB-CB 4.11Å; A84-V140 HydrophobicContact CB-CG1 3.93Å; K85-V140 HydrophobicContact CB-CG1 4.12Å; E136-V140 WeakPolarHBondContact O-CG2 3.45Å; E136-V140 PolarHBondContact O-N 2.82Å; D137-V140 PolarHBondContact O-N 3.3Å; V140-F142 PolarHBondContact O-N 2.82Å; V140-D143 WeakPolarHBondContact O-CB 3.41Å; V140-D143 PolarHBondContact O-N 3.07Å; V140-D143 VanDerWaalsContact O-N 3.15Å |
| 141 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -37.6 | 179.5 | -171.8 | 64.3 | 0 | 0 | 0 | 112.3 | A84 N88 Y91 V104 V130 I132 D137 M138 K139 | A84-L141 HydrophobicContact CB-CB 4.14Å; A84-L141 HydrophobicContact CB-CD1 4.42Å; N88-L141 WeakPolarHBondContact CB-O 3.46Å; N88-L141 PolarHBondContact ND2-O 2.98Å; Y91-L141 HydrophobicContact CD2-CD1 4.3Å; Y91-L141 HydrophobicContact CE2-CD1 3.54Å; Y91-L141 HydrophobicContact CE2-CG 4.02Å; V104-L141 HydrophobicContact CG1-CD2 3.84Å; V104-L141 HydrophobicContact CG2-CD2 4.3Å; V130-L141 HydrophobicContact CG1-CD1 4.45Å; V130-L141 HydrophobicContact CG1-CD2 4.29Å; V130-L141 HydrophobicContact CG2-CD1 4.26Å; I132-L141 HydrophobicContact CD1-CD2 4.33Å; D137-L141 WeakPolarHBondContact O-CB 3.43Å; D137-L141 PolarHBondContact O-N 2.82Å; M138-L141 WeakPolarHBondContact O-CB 3.44Å; M138-L141 PolarHBondContact O-N 3.23Å; M138-L141 HydrophobicContact SD-CD2 3.98Å; K139-L141 VanDerWaalsContact C-N 3.33Å |
| 142 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 17.2 | 179.2 | -60.8 | -57.1 | 0 | 0 | 0 | 114.4 | L102 V104 M138 K139 V140 Q144 I145 L147 V152 Y167 Q174 | L102-F142 HydrophobicContact CD1-CE1 4.41Å; V104-F142 HydrophobicContact CG2-CE1 4.33Å; V104-F142 HydrophobicContact CG2-CZ 4.02Å; M138-F142 HydrophobicContact CG-CD2 4.08Å; M138-F142 HydrophobicContact CG-CE2 4.03Å; M138-F142 WeakPolarHBondContact O-CD2 3.5Å; M138-F142 PolarHBondContact O-N 3.1Å; M138-F142 HydrophobicContact SD-CD2 3.97Å; M138-F142 HydrophobicContact SD-CE2 3.39Å; M138-F142 WeakPolarHBondContact SD-CE2 3.36Å; M138-F142 HydrophobicContact SD-CZ 4.3Å; K139-F142 CarbonylContact O-C 3.58Å; K139-F142 PolarHBondContact O-N 2.91Å; V140-F142 PolarHBondContact O-N 2.82Å; F142-Q144 PolarHBondContact O-N 3.31Å; F142-I145 HydrophobicContact CB-CB 4.5Å; F142-I145 HydrophobicContact CD1-CD1 4.48Å; F142-I145 HydrophobicContact CD1-CG2 4.43Å; F142-I145 PolarHBondContact O-N 3.03Å; F142-L147 HydrophobicContact CB-CD1 4.28Å; F142-L147 HydrophobicContact CB-CD2 4.2Å; F142-L147 HydrophobicContact CB-CG 4.38Å; F142-L147 HydrophobicContact CD1-CD2 3.92Å; F142-L147 HydrophobicContact CD2-CD1 4.2Å; F142-L147 HydrophobicContact CD2-CD2 4.26Å; F142-L147 HydrophobicContact CE1-CD2 4.38Å; F142-L147 HydrophobicContact CG-CD1 4.32Å; F142-L147 HydrophobicContact CG-CD2 3.87Å; F142-L147 HydrophobicContact CG-CG 4.47Å; F142-V152 HydrophobicContact CE1-CG1 3.97Å; F142-V152 HydrophobicContact CE1-CG2 4.22Å; F142-V152 HydrophobicContact CZ-CG1 3.7Å; F142-Y167 HydrophobicContact CD2-CD2 4.41Å; F142-Y167 AromaticContact CE2-CD2 3.75Å; F142-Y167 HydrophobicContact CE2-CD2 3.75Å; F142-Y167 HydrophobicContact CE2-CE2 4.2Å; F142-Y167 HydrophobicContact CZ-CD2 4.34Å; F142-Y167 HydrophobicContact CZ-CE2 4.49Å; F142-Q174 PolarHBondContact O-NE2 2.81Å |
| 143 | D | 97.9 | Very high | 97.2 | Very high | 80 Ų | 80 | 35.3 Ų | 35.3 | 43% | 0.428 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.4 | 175 | -178.7 | 48 | 0 | 0 | 0 | 110.2 | N88 K139 V140 I145 | N88-D143 PolarHBondContact ND2-N 3.13Å; N88-D143 PolarHBondContact ND2-O 3.04Å; K139-D143 PolarHBondContact O-N 3.43Å; V140-D143 WeakPolarHBondContact O-CB 3.41Å; V140-D143 PolarHBondContact O-N 3.07Å; V140-D143 VanDerWaalsContact O-N 3.15Å; D143-I145 PolarHBondContact O-N 3.4Å; D143-I145 VanDerWaalsContact O-N 3.08Å |
| 144 | Q | 96.6 | Very high | 97.2 | Very high | 123 Ų | 123 | 35.3 Ų | 35.3 | 58% | 0.575 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 25.1 | -176.6 | -60 | 166.2 | 58.7 | 0 | 0 | 114.8 | R92 F142 | R92-Q144 PolarHBondContact NH1-O 3.15Å; F142-Q144 PolarHBondContact O-N 3.31Å |
| 145 | I | 96.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | trans | -114.1 | 107.2 | 171.5 | -63.4 | 176.5 | 0 | 0 | 0 | 107.5 | Y91 R92 L102 F142 D143 L147 M150 Q174 | Y91-I145 HydrophobicContact CD2-CD1 4.43Å; R92-I145 HydrophobicContact CG-CD1 4.38Å; R92-I145 HydrophobicContact CG-CG1 4.33Å; L102-I145 HydrophobicContact CD1-CD1 4Å; L102-I145 HydrophobicContact CD1-CG2 3.78Å; F142-I145 HydrophobicContact CB-CB 4.5Å; F142-I145 HydrophobicContact CD1-CD1 4.48Å; F142-I145 HydrophobicContact CD1-CG2 4.43Å; F142-I145 PolarHBondContact O-N 3.03Å; D143-I145 PolarHBondContact O-N 3.4Å; D143-I145 VanDerWaalsContact O-N 3.08Å; I145-L147 PolarHBondContact O-N 3.22Å; I145-L147 VanDerWaalsContact O-N 3.09Å; I145-M150 HydrophobicContact CG2-CB 4.3Å; I145-M150 HydrophobicContact CG2-CG 3.76Å; I145-Q174 PolarHBondContact O-NE2 3.4Å; I145-Q174 PolarHBondContact O-OE1 3.22Å | ||
| 146 | P | 96.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 36 Ų | 36 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | trans | -72.5 | 104.2 | -174 | 27.9 | -33.7 | 0 | 0 | 0 | 111.6 | D148 K149 M150 | P146-D148 WeakPolarHBondContact CB-OD1 3.3Å; P146-D148 PolarHBondContact O-N 3.21Å; P146-K149 HydrophobicContact CB-CB 4.44Å; P146-K149 HydrophobicContact CB-CD 4.35Å; P146-K149 HydrophobicContact CG-CB 4.24Å; P146-K149 HydrophobicContact CG-CD 4.27Å; P146-K149 PolarHBondContact O-N 3.08Å; P146-M150 WeakPolarHBondContact O-CG 3.3Å; P146-M150 PolarHBondContact O-N 3.44Å; P146-M150 VanDerWaalsContact O-N 3.11Å | ||
| 147 | L | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.6 | -173.9 | -68 | -179.2 | 0 | 0 | 0 | 114.5 | F142 I145 K149 V152 Y167 A171 L181 | F142-L147 HydrophobicContact CB-CD1 4.28Å; F142-L147 HydrophobicContact CB-CD2 4.2Å; F142-L147 HydrophobicContact CB-CG 4.38Å; F142-L147 HydrophobicContact CD1-CD2 3.92Å; F142-L147 HydrophobicContact CD2-CD1 4.2Å; F142-L147 HydrophobicContact CD2-CD2 4.26Å; F142-L147 HydrophobicContact CE1-CD2 4.38Å; F142-L147 HydrophobicContact CG-CD1 4.32Å; F142-L147 HydrophobicContact CG-CD2 3.87Å; F142-L147 HydrophobicContact CG-CG 4.47Å; I145-L147 PolarHBondContact O-N 3.22Å; I145-L147 VanDerWaalsContact O-N 3.09Å; L147-K149 VanDerWaalsContact C-N 3.3Å; L147-V152 HydrophobicContact CD2-CG2 3.89Å; L147-Y167 HydrophobicContact CD1-CD2 4.43Å; L147-Y167 HydrophobicContact CD1-CE2 4.02Å; L147-Y167 HydrophobicContact CD2-CE2 3.93Å; L147-A171 HydrophobicContact CB-CB 4.49Å; L147-A171 HydrophobicContact CD1-CB 3.83Å; L147-L181 HydrophobicContact CB-CD2 3.96Å |
| 148 | D | 96.6 | Very high | 97 | Very high | 71 Ų | 71 | 34 Ų | 34 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.8 | 171.8 | 67.6 | -46.8 | 0 | 0 | 0 | 113.6 | P146 V176 | P146-D148 WeakPolarHBondContact CB-OD1 3.3Å; P146-D148 PolarHBondContact O-N 3.21Å; D148-V176 HydrophobicContact CB-CG1 3.86Å; D148-V176 HydrophobicContact CB-CG2 3.92Å |
| 149 | K | 94.6 | Very high | 97 | Very high | 156 Ų | 156 | 34.1 Ų | 34.1 | 68% | 0.678 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -15.9 | -177.8 | -63.3 | 176.1 | -172.5 | 174.2 | 0 | 113.4 | P146 L147 | P146-K149 HydrophobicContact CB-CB 4.44Å; P146-K149 HydrophobicContact CB-CD 4.35Å; P146-K149 HydrophobicContact CG-CB 4.24Å; P146-K149 HydrophobicContact CG-CD 4.27Å; P146-K149 PolarHBondContact O-N 3.08Å; L147-K149 VanDerWaalsContact C-N 3.3Å |
| 150 | M | 93.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | trans | -101.2 | 135.6 | -177.6 | -68.7 | -53.4 | -55.1 | 0 | 0 | 111.5 | L95 L102 I145 P146 V152 T182 | L95-M150 HydrophobicContact CD1-CE 4.04Å; L95-M150 HydrophobicContact CD2-CE 3.44Å; L95-M150 VanDerWaalsContact CD2-CE 3.44Å; L95-M150 HydrophobicContact CG-CE 4.41Å; L102-M150 HydrophobicContact CD1-CE 4.48Å; L102-M150 HydrophobicContact CG-CE 4.11Å; I145-M150 HydrophobicContact CG2-CB 4.3Å; I145-M150 HydrophobicContact CG2-CG 3.76Å; P146-M150 WeakPolarHBondContact O-CG 3.3Å; P146-M150 PolarHBondContact O-N 3.44Å; P146-M150 VanDerWaalsContact O-N 3.11Å; M150-V152 HydrophobicContact CB-CG2 4.43Å; M150-T182 PolarHBondContact O-OG1 3.23Å | ||
| 151 | S | 94.7 | Very high | 97.1 | Very high | 34 Ų | 34 | 28.4 Ų | 28.4 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.4 | 165.6 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | R76 L102 T182 | R76-S151 PolarHBondContact NH2-OG 2.94Å; L102-S151 PolarHBondContact N-O 3.06Å; S151-T182 WeakPolarHBondContact CA-O 3.43Å; S151-T182 WeakPolarHBondContact CA-OG1 3.48Å |
| 152 | V | 96.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.3 | -176.8 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | V104 F142 L147 M150 M154 Y167 T182 G183 T184 | V104-V152 HydrophobicContact CG2-CG1 4.14Å; F142-V152 HydrophobicContact CE1-CG1 3.97Å; F142-V152 HydrophobicContact CE1-CG2 4.22Å; F142-V152 HydrophobicContact CZ-CG1 3.7Å; L147-V152 HydrophobicContact CD2-CG2 3.89Å; M150-V152 HydrophobicContact CB-CG2 4.43Å; V152-M154 HydrophobicContact CG1-CG 4.09Å; V152-Y167 HydrophobicContact CB-CE2 4.2Å; V152-Y167 HydrophobicContact CG1-CE2 4.36Å; V152-Y167 HydrophobicContact CG2-CE2 4.26Å; V152-T182 PolarHBondContact N-O 2.92Å; V152-T182 VanDerWaalsContact N-O 3.09Å; V152-G183 CarbonylContact O-C 3.38Å; V152-G183 WeakPolarHBondContact O-CA 3.45Å; V152-T184 PolarHBondContact O-N 2.95Å |
| 153 | S | 96.7 | Very high | 97.2 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.9 | 163.1 | -120.4 | 0 | 0 | 0 | 0 | 109.8 | R76 L102 S103 V104 T184 | R76-S153 PolarHBondContact NH1-OG 3.42Å; L102-S153 PolarHBondContact O-N 3.06Å; S103-S153 CarbonylContact C-O 3.48Å; S103-S153 VanDerWaalsContact CA-O 3.31Å; S103-S153 WeakPolarHBondContact CA-O 3.35Å; S103-S153 VanDerWaalsContact OG-CB 3.22Å; S103-S153 WeakPolarHBondContact OG-CB 3.44Å; V104-S153 PolarHBondContact N-O 2.96Å; S153-T184 CarbonylContact C-O 3.47Å; S153-T184 VanDerWaalsContact CA-O 3.28Å; S153-T184 WeakPolarHBondContact CA-O 3.47Å |
| 154 | M | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 115.2 | 171.4 | -69.4 | -179.2 | -71.9 | 0 | 0 | 108.2 | V104 F106 V152 M156 V163 L164 Y167 T184 I185 Q186 F224 | V104-M154 HydrophobicContact CB-CG 4.4Å; V104-M154 HydrophobicContact CG2-CG 4.42Å; F106-M154 HydrophobicContact CE2-CB 3.91Å; F106-M154 HydrophobicContact CE2-CG 4.3Å; F106-M154 HydrophobicContact CZ-CB 4.15Å; F106-M154 HydrophobicContact CZ-CG 4.06Å; F106-M154 HydrophobicContact CZ-SD 4.32Å; V152-M154 HydrophobicContact CG1-CG 4.09Å; M154-M156 PolarHBondContact O-N 2.92Å; M154-M156 VanDerWaalsContact O-N 3.15Å; M154-V163 HydrophobicContact SD-CG1 4.25Å; M154-L164 HydrophobicContact CE-CD1 4.08Å; M154-Y167 HydrophobicContact CE-CD1 3.5Å; M154-Y167 VanDerWaalsContact CE-CD1 3.5Å; M154-Y167 HydrophobicContact CE-CD2 4.11Å; M154-Y167 HydrophobicContact CE-CE1 4.07Å; M154-Y167 HydrophobicContact CE-CG 3.51Å; M154-Y167 HydrophobicContact SD-CD2 4.18Å; M154-Y167 HydrophobicContact SD-CG 3.93Å; M154-T184 PolarHBondContact N-O 3.19Å; M154-I185 HydrophobicContact CB-CD1 3.67Å; M154-I185 HydrophobicContact CE-CD1 4.28Å; M154-Q186 PolarHBondContact O-N 3.36Å; M154-F224 HydrophobicContact CE-CE2 4.47Å; M154-F224 HydrophobicContact CE-CZ 3.89Å |
| 155 | T | 97 | Very high | 97.3 | Very high | 15 Ų | 15 | 18.8 Ų | 18.8 | 9% | 0.092 | 10% | 0.101 | C | C | . | . | trans | -85.9 | 87 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 108.2 | Y78 V104 F106 H111 | Y78-T155 VanDerWaalsContact CE2-CB 3.41Å; Y78-T155 HydrophobicContact CE2-CG2 4.22Å; Y78-T155 WeakPolarHBondContact CE2-OG1 3.38Å; Y78-T155 WeakPolarHBondContact OH-CB 3.18Å; Y78-T155 VanDerWaalsContact OH-CG2 3.31Å; Y78-T155 WeakPolarHBondContact OH-CG2 3.05Å; V104-T155 PolarHBondContact O-N 3.15Å; F106-T155 WeakPolarHBondContact CD2-O 3.46Å; H111-T155 PolarHBondContact CE1-O 3.13Å; H111-T155 PolarHBondContact NE2-O 2.97Å | ||
| 156 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -143.9 | 139.4 | -179.5 | -178.8 | 56.6 | 56.9 | 0 | 0 | 110 | F106 T110 H111 M154 A159 V163 I185 N187 | F106-M156 HydrophobicContact CB-CE 3.49Å; F106-M156 VanDerWaalsContact CB-CE 3.49Å; F106-M156 HydrophobicContact CD1-CE 4.32Å; F106-M156 HydrophobicContact CD2-CB 4.16Å; F106-M156 HydrophobicContact CD2-CE 3.42Å; F106-M156 VanDerWaalsContact CD2-CE 3.42Å; F106-M156 HydrophobicContact CE2-CB 4.03Å; F106-M156 HydrophobicContact CE2-CE 4.19Å; F106-M156 HydrophobicContact CG-CE 3.48Å; F106-M156 VanDerWaalsContact CG-CE 3.48Å; T110-M156 HydrophobicContact CG2-CE 3.81Å; H111-M156 HydrophobicContact CB-CE 4.33Å; H111-M156 HydrophobicContact CB-SD 4.47Å; M154-M156 PolarHBondContact O-N 2.92Å; M154-M156 VanDerWaalsContact O-N 3.15Å; M156-A159 HydrophobicContact SD-CB 4.05Å; M156-V163 HydrophobicContact CB-CG1 4.18Å; M156-V163 HydrophobicContact CE-CG2 4.09Å; M156-V163 HydrophobicContact CG-CB 3.86Å; M156-V163 HydrophobicContact CG-CG1 4.06Å; M156-V163 HydrophobicContact CG-CG2 3.84Å; M156-V163 HydrophobicContact SD-CG2 4.27Å; M156-I185 HydrophobicContact CB-CD1 3.91Å; M156-N187 PolarHBondContact O-N 3.36Å | ||
| 157 | N | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -137.3 | -60.9 | -174.1 | -47.5 | -80.7 | 0 | 0 | 0 | 111.9 | V160 Q186 N187 D188 K191 E192 | N157-V160 VanDerWaalsContact O-CB 3.25Å; N157-V160 WeakPolarHBondContact O-CB 3.37Å; N157-V160 VanDerWaalsContact O-CG1 3.24Å; N157-V160 WeakPolarHBondContact O-CG1 3.4Å; N157-V160 PolarHBondContact O-N 3.33Å; N157-Q186 PolarHBondContact ND2-OE1 3.41Å; N157-Q186 WeakPolarHBondContact OD1-CB 3.44Å; N157-Q186 VanDerWaalsContact OD1-CG 3.26Å; N157-Q186 WeakPolarHBondContact OD1-CG 3.22Å; N157-Q186 PolarHBondContact OD1-OE1 3.31Å; N157-Q186 VanDerWaalsContact OD1-OE1 3.09Å; N157-N187 PolarHBondContact OD1-N 2.98Å; N157-D188 PolarHBondContact OD1-N 3.1Å; N157-D188 PolarHBondContact OD1-O 3.32Å; N157-K191 PolarHBondContact ND2-NZ 3.2Å; N157-K191 PolarHBondContact OD1-NZ 3.44Å; N157-E192 HydrophobicContact CB-CG 3.81Å; N157-E192 WeakPolarHBondContact CB-OE1 3.41Å; N157-E192 PolarHBondContact ND2-OE1 3.04Å |
| 158 | G | 98 | Very high | 97.6 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 5% | 0.052 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -65.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V160 T198 | G158-V160 PolarHBondContact O-N 3.21Å; G158-V160 VanDerWaalsContact O-N 3.12Å; G158-T198 VanDerWaalsContact CA-O 3.26Å; G158-T198 WeakPolarHBondContact CA-O 3.46Å |
| 159 | A | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T110 H111 M156 L161 P162 V163 I200 L528 | T110-A159 WeakPolarHBondContact O-CB 3.29Å; H111-A159 PolarHBondContact O-N 3.37Å; H111-A159 VanDerWaalsContact O-N 3.09Å; M156-A159 HydrophobicContact SD-CB 4.05Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3.25Å; A159-P162 HydrophobicContact CB-CG 3.96Å; A159-P162 VanDerWaalsContact O-CD 3.27Å; A159-P162 WeakPolarHBondContact O-CD 3.19Å; A159-P162 WeakPolarHBondContact O-CG 3.24Å; A159-V163 WeakPolarHBondContact O-CG2 3.15Å; A159-V163 PolarHBondContact O-N 2.86Å; A159-I200 HydrophobicContact CB-CD1 4.06Å; A159-L528 HydrophobicContact CB-CD1 4.3Å; A159-L528 HydrophobicContact CB-CD2 4.41Å; A159-L528 HydrophobicContact CB-CG 4.47Å |
| 160 | V | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 5.1 Ų | 5.1 | 2% | 0.018 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.7 | -36.6 | -173.7 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | N157 G158 L164 I185 N187 I209 I213 | N157-V160 VanDerWaalsContact O-CB 3.25Å; N157-V160 WeakPolarHBondContact O-CB 3.37Å; N157-V160 VanDerWaalsContact O-CG1 3.24Å; N157-V160 WeakPolarHBondContact O-CG1 3.4Å; N157-V160 PolarHBondContact O-N 3.33Å; G158-V160 PolarHBondContact O-N 3.21Å; G158-V160 VanDerWaalsContact O-N 3.12Å; V160-L164 WeakPolarHBondContact O-CB 3.32Å; V160-L164 PolarHBondContact O-N 2.87Å; V160-I185 HydrophobicContact CG2-CD1 4.07Å; V160-I185 HydrophobicContact CG2-CG1 3.53Å; V160-N187 HydrophobicContact CG2-CB 4.04Å; V160-I209 HydrophobicContact CG1-CG2 3.74Å; V160-I213 HydrophobicContact CB-CD1 4.31Å; V160-I213 HydrophobicContact CG1-CD1 3.64Å; V160-I213 HydrophobicContact CG2-CD1 3.73Å |
| 161 | L | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 4 Ų | 4 | 2% | 0.016 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -63.8 | -57.6 | -179.7 | -74.9 | 170.1 | 0 | 0 | 0 | 113.1 | A159 V163 A165 I209 I213 L514 L515 A518 L535 | A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3.25Å; L161-V163 PolarHBondContact O-N 3.48Å; L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.19Å; L161-I209 HydrophobicContact CD1-CB 4.45Å; L161-I209 HydrophobicContact CD1-CD1 4.08Å; L161-I209 HydrophobicContact CD1-CG1 3.93Å; L161-I209 HydrophobicContact CD1-CG2 3.76Å; L161-I209 HydrophobicContact CD2-CG2 4.17Å; L161-I209 HydrophobicContact CG-CG2 3.69Å; L161-I213 HydrophobicContact CD2-CD1 4.18Å; L161-I213 HydrophobicContact CD2-CG1 4.06Å; L161-L514 HydrophobicContact CD1-CB 3.83Å; L161-L514 HydrophobicContact CD1-CD1 4.37Å; L161-L514 HydrophobicContact CD2-CB 4.13Å; L161-L515 HydrophobicContact CD2-CB 3.92Å; L161-L515 HydrophobicContact CD2-CD1 4.14Å; L161-A518 HydrophobicContact CB-CB 4.12Å; L161-L535 HydrophobicContact CD1-CD1 3.51Å; L161-L535 HydrophobicContact CD1-CD2 4.43Å |
| 162 | P | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 5.2 Ų | 5.2 | 1% | 0.006 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 178.4 | 19.8 | -30.4 | 0 | 0 | 0 | 112.3 | A159 A165 F166 L528 I531 | A159-P162 HydrophobicContact CB-CG 3.96Å; A159-P162 VanDerWaalsContact O-CD 3.27Å; A159-P162 WeakPolarHBondContact O-CD 3.19Å; A159-P162 WeakPolarHBondContact O-CG 3.24Å; P162-A165 WeakPolarHBondContact O-CB 3.02Å; P162-A165 PolarHBondContact O-N 3.47Å; P162-F166 HydrophobicContact CB-CE2 4.22Å; P162-F166 HydrophobicContact CB-CZ 4.21Å; P162-F166 WeakPolarHBondContact O-CD1 3.2Å; P162-F166 WeakPolarHBondContact O-CD2 3.33Å; P162-F166 WeakPolarHBondContact O-CG 3.39Å; P162-F166 PolarHBondContact O-N 2.73Å; P162-L528 HydrophobicContact CB-CB 4.46Å; P162-L528 HydrophobicContact CB-CD1 4.23Å; P162-L528 HydrophobicContact CB-CG 4.1Å; P162-L528 HydrophobicContact CG-CD1 4.15Å; P162-L528 HydrophobicContact CG-CG 3.96Å; P162-I531 HydrophobicContact CB-CB 4.05Å; P162-I531 HydrophobicContact CB-CD1 3.99Å; P162-I531 HydrophobicContact CB-CG2 3.81Å; P162-I531 HydrophobicContact CG-CG2 4.08Å |
| 163 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.9 | -45.4 | -178.3 | 172 | 0 | 0 | 0 | 0 | 112 | F106 T110 M138 M154 M156 A159 L161 A165 F166 Y167 L528 | F106-V163 HydrophobicContact CE1-CG1 3.94Å; F106-V163 HydrophobicContact CE2-CG1 4.05Å; F106-V163 HydrophobicContact CZ-CG1 3.52Å; T110-V163 HydrophobicContact CG2-CG2 3.94Å; M138-V163 HydrophobicContact CE-CG1 4.12Å; M154-V163 HydrophobicContact SD-CG1 4.25Å; M156-V163 HydrophobicContact CB-CG1 4.18Å; M156-V163 HydrophobicContact CE-CG2 4.09Å; M156-V163 HydrophobicContact CG-CB 3.86Å; M156-V163 HydrophobicContact CG-CG1 4.06Å; M156-V163 HydrophobicContact CG-CG2 3.84Å; M156-V163 HydrophobicContact SD-CG2 4.27Å; A159-V163 WeakPolarHBondContact O-CG2 3.15Å; A159-V163 PolarHBondContact O-N 2.86Å; L161-V163 PolarHBondContact O-N 3.48Å; V163-A165 VanDerWaalsContact C-N 3.33Å; V163-F166 PolarHBondContact O-N 2.84Å; V163-Y167 PolarHBondContact O-N 3.08Å; V163-L528 HydrophobicContact CG2-CD1 3.75Å |
| 164 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 176.6 | -177 | 57.9 | 0 | 0 | 0 | 111.3 | M154 V160 Y167 I168 I213 F224 L515 | M154-L164 HydrophobicContact CE-CD1 4.08Å; V160-L164 WeakPolarHBondContact O-CB 3.32Å; V160-L164 PolarHBondContact O-N 2.87Å; L164-Y167 HydrophobicContact CD1-CD1 4.17Å; L164-Y167 PolarHBondContact O-N 2.91Å; L164-I168 HydrophobicContact CD1-CD1 4.37Å; L164-I168 HydrophobicContact CG-CD1 4.06Å; L164-I168 WeakPolarHBondContact O-CD1 3.37Å; L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.42Å; L164-I168 PolarHBondContact O-N 3.37Å; L164-I213 HydrophobicContact CD2-CG1 4.49Å; L164-I213 HydrophobicContact CD2-CG2 3.89Å; L164-F224 HydrophobicContact CD1-CE1 4.08Å; L164-F224 HydrophobicContact CD1-CZ 4.13Å; L164-L515 HydrophobicContact CB-CD1 4.28Å; L164-L515 HydrophobicContact CD2-CD1 3.99Å; L164-L515 HydrophobicContact CD2-CD2 3.71Å; L164-L515 HydrophobicContact CG-CD1 4.08Å; L164-L515 HydrophobicContact CG-CD2 4.4Å |
| 165 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L161 P162 V163 Y167 I168 V169 A518 V519 A522 | L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.19Å; P162-A165 WeakPolarHBondContact O-CB 3.02Å; P162-A165 PolarHBondContact O-N 3.47Å; V163-A165 VanDerWaalsContact C-N 3.33Å; A165-Y167 VanDerWaalsContact C-N 3.33Å; A165-Y167 PolarHBondContact O-N 3.43Å; A165-I168 PolarHBondContact O-N 3.31Å; A165-V169 WeakPolarHBondContact O-CG2 3.12Å; A165-V169 PolarHBondContact O-N 3.09Å; A165-A518 HydrophobicContact CB-CB 4.1Å; A165-V519 HydrophobicContact CB-CB 4.47Å; A165-V519 HydrophobicContact CB-CG2 4Å; A165-A522 HydrophobicContact CB-CB 3.85Å |
| 166 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.9 | -40 | 175.8 | -62 | -23 | 0 | 0 | 0 | 112.2 | I132 V135 M138 P162 V163 V169 A170 A522 L528 I531 | I132-F166 HydrophobicContact CG2-CD2 3.85Å; I132-F166 HydrophobicContact CG2-CE2 4.3Å; V135-F166 HydrophobicContact CB-CB 4.49Å; V135-F166 HydrophobicContact CB-CD1 3.93Å; V135-F166 HydrophobicContact CB-CG 4.4Å; M138-F166 HydrophobicContact CB-CB 3.95Å; M138-F166 HydrophobicContact CE-CB 4.02Å; M138-F166 HydrophobicContact CG-CB 4.12Å; P162-F166 HydrophobicContact CB-CE2 4.22Å; P162-F166 HydrophobicContact CB-CZ 4.21Å; P162-F166 WeakPolarHBondContact O-CD1 3.2Å; P162-F166 WeakPolarHBondContact O-CD2 3.33Å; P162-F166 WeakPolarHBondContact O-CG 3.39Å; P162-F166 PolarHBondContact O-N 2.73Å; V163-F166 PolarHBondContact O-N 2.84Å; F166-V169 PolarHBondContact O-N 3.09Å; F166-A170 WeakPolarHBondContact O-CB 3.27Å; F166-A170 PolarHBondContact O-N 3.38Å; F166-A522 HydrophobicContact CD1-CB 3.53Å; F166-A522 HydrophobicContact CE1-CB 3.78Å; F166-L528 HydrophobicContact CE2-CB 3.94Å; F166-L528 HydrophobicContact CE2-CD1 4.26Å; F166-L528 HydrophobicContact CZ-CB 4.3Å; F166-I531 HydrophobicContact CE1-CD1 3.96Å; F166-I531 HydrophobicContact CZ-CD1 4.14Å |
| 167 | Y | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.7 | 173.2 | -112.3 | 0 | 0 | 0 | 112.3 | F142 L147 V152 M154 V163 L164 A165 A171 L181 M221 F224 | F142-Y167 HydrophobicContact CD2-CD2 4.41Å; F142-Y167 AromaticContact CE2-CD2 3.75Å; F142-Y167 HydrophobicContact CE2-CD2 3.75Å; F142-Y167 HydrophobicContact CE2-CE2 4.2Å; F142-Y167 HydrophobicContact CZ-CD2 4.34Å; F142-Y167 HydrophobicContact CZ-CE2 4.49Å; L147-Y167 HydrophobicContact CD1-CD2 4.43Å; L147-Y167 HydrophobicContact CD1-CE2 4.02Å; L147-Y167 HydrophobicContact CD2-CE2 3.93Å; V152-Y167 HydrophobicContact CB-CE2 4.2Å; V152-Y167 HydrophobicContact CG1-CE2 4.36Å; V152-Y167 HydrophobicContact CG2-CE2 4.26Å; M154-Y167 HydrophobicContact CE-CD1 3.5Å; M154-Y167 VanDerWaalsContact CE-CD1 3.5Å; M154-Y167 HydrophobicContact CE-CD2 4.11Å; M154-Y167 HydrophobicContact CE-CE1 4.07Å; M154-Y167 HydrophobicContact CE-CG 3.51Å; M154-Y167 HydrophobicContact SD-CD2 4.18Å; M154-Y167 HydrophobicContact SD-CG 3.93Å; V163-Y167 PolarHBondContact O-N 3.08Å; L164-Y167 HydrophobicContact CD1-CD1 4.17Å; L164-Y167 PolarHBondContact O-N 2.91Å; A165-Y167 VanDerWaalsContact C-N 3.33Å; A165-Y167 PolarHBondContact O-N 3.43Å; Y167-A171 WeakPolarHBondContact O-CB 3.31Å; Y167-A171 PolarHBondContact O-N 3.35Å; Y167-L181 HydrophobicContact CD1-CD1 4.35Å; Y167-L181 HydrophobicContact CE1-CB 4.27Å; Y167-L181 HydrophobicContact CE1-CD1 3.82Å; Y167-L181 HydrophobicContact CE1-CD2 4.35Å; Y167-L181 HydrophobicContact CE1-CG 4.37Å; Y167-M221 HydrophobicContact CE1-CE 4.19Å; Y167-F224 HydrophobicContact CD1-CE2 4.42Å; Y167-F224 HydrophobicContact CE1-CD2 4.39Å; Y167-F224 AromaticContact CE1-CE2 3.69Å; Y167-F224 HydrophobicContact CE1-CE2 3.69Å; Y167-F224 HydrophobicContact CE1-CZ 4.32Å |
| 168 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.8 | -49 | 177.4 | -69.1 | 162 | 0 | 0 | 0 | 110.5 | L164 A165 A171 E172 P178 W216 M221 L515 V519 | L164-I168 HydrophobicContact CD1-CD1 4.37Å; L164-I168 HydrophobicContact CG-CD1 4.06Å; L164-I168 WeakPolarHBondContact O-CD1 3.37Å; L164-I168 VanDerWaalsContact O-CG1 3.3Å; L164-I168 WeakPolarHBondContact O-CG1 3.42Å; L164-I168 PolarHBondContact O-N 3.37Å; A165-I168 PolarHBondContact O-N 3.31Å; I168-A171 WeakPolarHBondContact O-CB 3.43Å; I168-A171 PolarHBondContact O-N 3.29Å; I168-E172 HydrophobicContact CG2-CG 4.47Å; I168-E172 WeakPolarHBondContact O-CG 3.49Å; I168-E172 PolarHBondContact O-N 3.39Å; I168-P178 HydrophobicContact CG2-CG 4.19Å; I168-W216 HydrophobicContact CD1-CH2 3.92Å; I168-W216 HydrophobicContact CD1-CZ3 3.69Å; I168-W216 HydrophobicContact CG2-CH2 4.47Å; I168-M221 HydrophobicContact CD1-SD 3.92Å; I168-M221 HydrophobicContact CG1-CE 4.49Å; I168-M221 HydrophobicContact CG1-SD 3.97Å; I168-L515 HydrophobicContact CD1-CD1 4.43Å; I168-L515 HydrophobicContact CD1-CD2 4.44Å; I168-V519 HydrophobicContact CB-CG2 4.46Å; I168-V519 HydrophobicContact CD1-CG2 3.85Å; I168-V519 HydrophobicContact CG2-CG1 4.14Å; I168-V519 HydrophobicContact CG2-CG2 4.39Å |
| 169 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -39 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | V135 A165 F166 A171 E172 E173 V519 A522 R523 | V135-V169 HydrophobicContact CG2-CB 3.8Å; V135-V169 HydrophobicContact CG2-CG1 3.7Å; A165-V169 WeakPolarHBondContact O-CG2 3.12Å; A165-V169 PolarHBondContact O-N 3.09Å; F166-V169 PolarHBondContact O-N 3.09Å; V169-A171 VanDerWaalsContact C-N 3.28Å; V169-A171 PolarHBondContact O-N 2.69Å; V169-E172 PolarHBondContact O-N 2.96Å; V169-E173 HydrophobicContact CG1-CG 4.41Å; V169-E173 WeakPolarHBondContact O-CG 3.37Å; V169-E173 PolarHBondContact O-N 2.98Å; V169-V519 HydrophobicContact CG2-CG1 3.95Å; V169-A522 HydrophobicContact CG2-CB 3.86Å; V169-R523 HydrophobicContact CB-CG 4.46Å; V169-R523 HydrophobicContact CG1-CG 3.95Å; V169-R523 HydrophobicContact CG2-CG 3.56Å |
| 170 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M138 K139 F166 Q174 | M138-A170 HydrophobicContact CB-CB 4.27Å; M138-A170 HydrophobicContact CG-CB 3.91Å; K139-A170 HydrophobicContact CG-CB 3.94Å; F166-A170 WeakPolarHBondContact O-CB 3.27Å; F166-A170 PolarHBondContact O-N 3.38Å; A170-Q174 WeakPolarHBondContact O-CG 3.39Å; A170-Q174 PolarHBondContact O-N 3.41Å; A170-Q174 VanDerWaalsContact O-N 3.15Å |
| 171 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L147 Y167 I168 V169 E173 Q174 G175 V176 L181 | L147-A171 HydrophobicContact CB-CB 4.49Å; L147-A171 HydrophobicContact CD1-CB 3.83Å; Y167-A171 WeakPolarHBondContact O-CB 3.31Å; Y167-A171 PolarHBondContact O-N 3.35Å; I168-A171 WeakPolarHBondContact O-CB 3.43Å; I168-A171 PolarHBondContact O-N 3.29Å; V169-A171 VanDerWaalsContact C-N 3.28Å; V169-A171 PolarHBondContact O-N 2.69Å; A171-E173 PolarHBondContact O-N 3.39Å; A171-Q174 CarbonylContact O-C 3.45Å; A171-Q174 WeakPolarHBondContact O-CA 3.44Å; A171-Q174 WeakPolarHBondContact O-CB 3.3Å; A171-Q174 PolarHBondContact O-N 2.8Å; A171-G175 PolarHBondContact O-N 2.82Å; A171-V176 CarbonylContact C-O 3.46Å; A171-V176 HydrophobicContact CB-CB 4.26Å; A171-V176 WeakPolarHBondContact O-CB 3.49Å; A171-V176 PolarHBondContact O-N 3.4Å; A171-L181 HydrophobicContact CB-CD1 3.81Å; A171-L181 HydrophobicContact CB-CD2 3.59Å; A171-L181 HydrophobicContact CB-CG 4.23Å |
| 172 | E | 98.5 | Very high | 98.3 | Very high | 61 Ų | 61 | 27.3 Ų | 27.3 | 29% | 0.285 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -56.8 | -41.3 | 175.6 | -72.8 | 177 | 168 | 0 | 0 | 110.8 | I168 V169 Q174 G175 V176 R523 | I168-E172 HydrophobicContact CG2-CG 4.47Å; I168-E172 WeakPolarHBondContact O-CG 3.49Å; I168-E172 PolarHBondContact O-N 3.39Å; V169-E172 PolarHBondContact O-N 2.96Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 2.86Å; E172-G175 WeakPolarHBondContact O-CA 3.47Å; E172-G175 PolarHBondContact O-N 3.34Å; E172-V176 WeakPolarHBondContact CA-O 3.34Å; E172-V176 PolarHBondContact N-O 2.73Å; E172-R523 VanDerWaalsContact CD-NH2 3.33Å; E172-R523 IonicContact OE1-CZ 2.7Å; E172-R523 IonicContact OE1-NH2 3.18Å; E172-R523 PolarHBondContact OE1-NH2 3.17Å; E172-R523 IonicContact OE2-CZ 3.82Å; E172-R523 IonicContact OE2-NE 3.94Å; E172-R523 PolarHBondContact OE2-NE 3.36Å; E172-R523 IonicContact OE2-NH2 3.86Å; E172-R523 PolarHBondContact OE2-NH2 3.38Å |
| 173 | E | 98.4 | Very high | 98.1 | Very high | 83 Ų | 83 | 27.3 Ų | 27.3 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -73.1 | -17.8 | 177.4 | -69.5 | -173.2 | -166.1 | 0 | 0 | 113.9 | K139 V169 A171 G175 R525 | K139-E173 WeakPolarHBondContact CD-OE2 3.2Å; K139-E173 WeakPolarHBondContact CE-OE2 3.35Å; K139-E173 IonicContact NZ-OE2 3.31Å; K139-E173 PolarHBondContact NZ-OE2 2.79Å; V169-E173 HydrophobicContact CG1-CG 4.41Å; V169-E173 WeakPolarHBondContact O-CG 3.37Å; V169-E173 PolarHBondContact O-N 2.98Å; A171-E173 PolarHBondContact O-N 3.39Å; E173-G175 VanDerWaalsContact C-N 3.27Å; E173-R525 VanDerWaalsContact CD-NH2 3.27Å; E173-R525 IonicContact OE1-CZ 2.97Å; E173-R525 IonicContact OE1-NH1 2.89Å; E173-R525 PolarHBondContact OE1-NH1 3.41Å; E173-R525 IonicContact OE1-NH2 3.95Å; E173-R525 PolarHBondContact OE1-NH2 3.42Å; E173-R525 IonicContact OE2-NH2 3.74Å; E173-R525 PolarHBondContact OE2-NH2 2.96Å |
| 174 | Q | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 27.8 Ų | 27.8 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.8 | 164 | -69.5 | -176.1 | 5.4 | 0 | 0 | 113.1 | F142 I145 A170 A171 E172 V176 | F142-Q174 PolarHBondContact O-NE2 2.81Å; I145-Q174 PolarHBondContact O-NE2 3.4Å; I145-Q174 PolarHBondContact O-OE1 3.22Å; A170-Q174 WeakPolarHBondContact O-CG 3.39Å; A170-Q174 PolarHBondContact O-N 3.41Å; A170-Q174 VanDerWaalsContact O-N 3.15Å; A171-Q174 CarbonylContact O-C 3.45Å; A171-Q174 WeakPolarHBondContact O-CA 3.44Å; A171-Q174 WeakPolarHBondContact O-CB 3.3Å; A171-Q174 PolarHBondContact O-N 2.8Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 2.86Å; Q174-V176 HydrophobicContact CB-CG2 4.23Å |
| 175 | G | 98.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 27.8 Ų | 27.8 | 65% | 0.649 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 19.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | A171 E172 E173 | A171-G175 PolarHBondContact O-N 2.82Å; E172-G175 WeakPolarHBondContact O-CA 3.47Å; E172-G175 PolarHBondContact O-N 3.34Å; E173-G175 VanDerWaalsContact C-N 3.27Å |
| 176 | V | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | trans | -102.2 | 121.1 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | D148 A171 E172 Q174 K180 L181 | D148-V176 HydrophobicContact CB-CG1 3.86Å; D148-V176 HydrophobicContact CB-CG2 3.92Å; A171-V176 CarbonylContact C-O 3.46Å; A171-V176 HydrophobicContact CB-CB 4.26Å; A171-V176 WeakPolarHBondContact O-CB 3.49Å; A171-V176 PolarHBondContact O-N 3.4Å; E172-V176 WeakPolarHBondContact CA-O 3.34Å; E172-V176 PolarHBondContact N-O 2.73Å; Q174-V176 HydrophobicContact CB-CG2 4.23Å; V176-K180 HydrophobicContact CG1-CB 3.9Å; V176-K180 HydrophobicContact CG1-CD 4.47Å; V176-L181 HydrophobicContact CG1-CD2 3.89Å; V176-L181 HydrophobicContact CG1-CG 4.47Å | ||
| 177 | T | 97.9 | Very high | 98 | Very high | 62 Ų | 62 | 28.2 Ų | 28.2 | 38% | 0.38 | 16% | 0.161 | S | C | . | . | trans | -76.5 | 148.6 | 176.3 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | D179 K180 | T177-D179 WeakPolarHBondContact CB-OD1 3.44Å; T177-D179 PolarHBondContact O-N 3.11Å; T177-D179 PolarHBondContact OG1-OD1 2.92Å; T177-K180 WeakPolarHBondContact O-CB 3.46Å; T177-K180 PolarHBondContact O-N 2.82Å | ||
| 178 | P | 97.6 | Very high | 98 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -54.7 | -30.1 | -175.2 | -29.3 | 35.9 | 0 | 0 | 0 | 115.3 | I168 K180 L181 W216 N220 M221 | I168-P178 HydrophobicContact CG2-CG 4.19Å; P178-K180 PolarHBondContact O-N 3.37Å; P178-L181 WeakPolarHBondContact O-CB 3.41Å; P178-L181 PolarHBondContact O-N 2.88Å; P178-L181 VanDerWaalsContact O-N 3.12Å; P178-W216 HydrophobicContact CB-CH2 4.33Å; P178-W216 HydrophobicContact CG-CH2 4.41Å; P178-N220 CarbonylContact C-O 3.57Å; P178-M221 HydrophobicContact CB-CG 3.73Å |
| 179 | D | 97.4 | Very high | 98 | Very high | 69 Ų | 69 | 28.5 Ų | 28.5 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -66.9 | -18.5 | -179.8 | 68.3 | -65.9 | 0 | 0 | 0 | 114.1 | T177 N220 R223 | T177-D179 WeakPolarHBondContact CB-OD1 3.44Å; T177-D179 PolarHBondContact O-N 3.11Å; T177-D179 PolarHBondContact OG1-OD1 2.92Å; D179-N220 WeakPolarHBondContact CA-O 3.45Å; D179-N220 PolarHBondContact N-O 3.07Å; D179-R223 WeakPolarHBondContact O-CD 3.27Å |
| 180 | K | 97.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 28.5 Ų | 28.5 | 38% | 0.383 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -88.9 | -15.7 | 176.9 | -63 | 179.6 | -175.1 | 173 | 0 | 113 | V176 T177 P178 T182 | V176-K180 HydrophobicContact CG1-CB 3.9Å; V176-K180 HydrophobicContact CG1-CD 4.47Å; T177-K180 WeakPolarHBondContact O-CB 3.46Å; T177-K180 PolarHBondContact O-N 2.82Å; P178-K180 PolarHBondContact O-N 3.37Å; K180-T182 PolarHBondContact O-N 3.49Å |
| 181 | L | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -69.9 | 129.1 | -176.4 | -63.2 | 175.2 | 0 | 0 | 0 | 111 | L147 Y167 A171 V176 P178 M221 | L147-L181 HydrophobicContact CB-CD2 3.96Å; Y167-L181 HydrophobicContact CD1-CD1 4.35Å; Y167-L181 HydrophobicContact CE1-CB 4.27Å; Y167-L181 HydrophobicContact CE1-CD1 3.82Å; Y167-L181 HydrophobicContact CE1-CD2 4.35Å; Y167-L181 HydrophobicContact CE1-CG 4.37Å; A171-L181 HydrophobicContact CB-CD1 3.81Å; A171-L181 HydrophobicContact CB-CD2 3.59Å; A171-L181 HydrophobicContact CB-CG 4.23Å; V176-L181 HydrophobicContact CG1-CD2 3.89Å; V176-L181 HydrophobicContact CG1-CG 4.47Å; P178-L181 WeakPolarHBondContact O-CB 3.41Å; P178-L181 PolarHBondContact O-N 2.88Å; P178-L181 VanDerWaalsContact O-N 3.12Å; L181-M221 HydrophobicContact CB-CE 3.87Å; L181-M221 HydrophobicContact CD1-CE 3.89Å | ||
| 182 | T | 96.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 24% | 0.239 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.6 | 175.8 | 68.9 | 0 | 0 | 0 | 0 | 108.7 | M150 S151 V152 K180 R223 | M150-T182 PolarHBondContact O-OG1 3.23Å; S151-T182 WeakPolarHBondContact CA-O 3.43Å; S151-T182 WeakPolarHBondContact CA-OG1 3.48Å; V152-T182 PolarHBondContact N-O 2.92Å; V152-T182 VanDerWaalsContact N-O 3.09Å; K180-T182 PolarHBondContact O-N 3.49Å; T182-R223 HydrophobicContact CG2-CB 4.05Å |
| 183 | G | 95.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.9 | -169.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V152 N225 | V152-G183 CarbonylContact O-C 3.38Å; V152-G183 WeakPolarHBondContact O-CA 3.45Å; G183-N225 PolarHBondContact O-N 2.78Å; G183-N225 PolarHBondContact O-ND2 3.19Å |
| 184 | T | 97.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 130.7 | 179.5 | -55.5 | 0 | 0 | 0 | 0 | 108.8 | V152 S153 M154 N225 | V152-T184 PolarHBondContact O-N 2.95Å; S153-T184 CarbonylContact C-O 3.47Å; S153-T184 VanDerWaalsContact CA-O 3.28Å; S153-T184 WeakPolarHBondContact CA-O 3.47Å; M154-T184 PolarHBondContact N-O 3.19Å; T184-N225 WeakPolarHBondContact CA-O 3.49Å; T184-N225 HydrophobicContact CG2-CB 3.94Å; T184-N225 WeakPolarHBondContact OG1-CB 3.23Å; T184-N225 PolarHBondContact OG1-ND2 3.06Å |
| 185 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.3 | 164.5 | -172.2 | 65.8 | 0 | 0 | 0 | 107.6 | M154 M156 V160 N187 F224 N225 T226 I227 S228 | M154-I185 HydrophobicContact CB-CD1 3.67Å; M154-I185 HydrophobicContact CE-CD1 4.28Å; M156-I185 HydrophobicContact CB-CD1 3.91Å; V160-I185 HydrophobicContact CG2-CD1 4.07Å; V160-I185 HydrophobicContact CG2-CG1 3.53Å; I185-N187 HydrophobicContact CG1-CB 4.14Å; I185-N187 HydrophobicContact CG2-CB 3.86Å; I185-F224 HydrophobicContact CB-CE1 3.77Å; I185-F224 HydrophobicContact CB-CZ 4.13Å; I185-F224 HydrophobicContact CG2-CE1 3.67Å; I185-N225 PolarHBondContact N-O 2.9Å; I185-T226 VanDerWaalsContact CG2-O 3.26Å; I185-T226 WeakPolarHBondContact CG2-O 3.36Å; I185-I227 CarbonylContact O-C 3.57Å; I185-I227 WeakPolarHBondContact O-CA 3.3Å; I185-S228 PolarHBondContact O-N 3.32Å |
| 186 | Q | 98.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | trans | -64.9 | -52.6 | -177.8 | -170.9 | 175.8 | 88.3 | 0 | 0 | 111.3 | M154 N157 D188 I227 S228 H233 | M154-Q186 PolarHBondContact O-N 3.36Å; N157-Q186 PolarHBondContact ND2-OE1 3.41Å; N157-Q186 WeakPolarHBondContact OD1-CB 3.44Å; N157-Q186 VanDerWaalsContact OD1-CG 3.26Å; N157-Q186 WeakPolarHBondContact OD1-CG 3.22Å; N157-Q186 PolarHBondContact OD1-OE1 3.31Å; N157-Q186 VanDerWaalsContact OD1-OE1 3.09Å; Q186-D188 HydrophobicContact CG-CB 4.44Å; Q186-D188 PolarHBondContact O-N 3.32Å; Q186-I227 WeakPolarHBondContact O-CG1 3.46Å; Q186-S228 PolarHBondContact O-N 3.35Å; Q186-H233 PolarHBondContact NE2-CE1 2.87Å; Q186-H233 VanDerWaalsContact NE2-CE1 3.32Å | ||
| 187 | N | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | trans | 48.3 | 33.3 | 166.5 | -166.1 | 34.8 | 0 | 0 | 0 | 114.8 | M156 N157 V160 I185 I210 I213 T226 I227 | M156-N187 PolarHBondContact O-N 3.36Å; N157-N187 PolarHBondContact OD1-N 2.98Å; V160-N187 HydrophobicContact CG2-CB 4.04Å; I185-N187 HydrophobicContact CG1-CB 4.14Å; I185-N187 HydrophobicContact CG2-CB 3.86Å; N187-I210 WeakPolarHBondContact O-CD1 3.45Å; N187-I210 WeakPolarHBondContact OD1-CG1 3.32Å; N187-I213 WeakPolarHBondContact OD1-CD1 3.42Å; N187-T226 PolarHBondContact ND2-O 3.18Å; N187-I227 HydrophobicContact CB-CG1 4.43Å; N187-I227 WeakPolarHBondContact O-CD1 3.48Å; N187-I227 WeakPolarHBondContact O-CG1 3.32Å | ||
| 188 | D | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -114.3 | 94.9 | -176.5 | 179.8 | -4.9 | 0 | 0 | 0 | 108.1 | N157 Q186 K191 I227 I229 S230 Y255 | N157-D188 PolarHBondContact OD1-N 3.1Å; N157-D188 PolarHBondContact OD1-O 3.32Å; Q186-D188 HydrophobicContact CG-CB 4.44Å; Q186-D188 PolarHBondContact O-N 3.32Å; D188-K191 HydrophobicContact CB-CG 4.14Å; D188-K191 VanDerWaalsContact CG-CG 3.48Å; D188-K191 WeakPolarHBondContact O-CG 3.45Å; D188-K191 PolarHBondContact O-NZ 3.41Å; D188-I227 HydrophobicContact CB-CD1 4.5Å; D188-I227 HydrophobicContact CB-CG1 4.34Å; D188-I229 WeakPolarHBondContact OD2-CA 3.26Å; D188-S230 WeakPolarHBondContact OD2-CB 3.36Å; D188-S230 PolarHBondContact OD2-N 3.08Å; D188-Y255 WeakPolarHBondContact CA-OH 3.49Å; D188-Y255 WeakPolarHBondContact OD1-CE2 3.39Å; D188-Y255 PolarHBondContact OD1-OH 3.19Å | ||
| 189 | I | 97.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | trans | -84.4 | -27.9 | -174.5 | -158.6 | 78.8 | 0 | 0 | 0 | 113 | K191 E192 Y193 M207 I210 Y255 | I189-K191 PolarHBondContact O-N 3.28Å; I189-E192 HydrophobicContact CD1-CB 4.27Å; I189-E192 HydrophobicContact CD1-CG 4Å; I189-E192 WeakPolarHBondContact O-CA 3.47Å; I189-E192 WeakPolarHBondContact O-CB 3.35Å; I189-E192 PolarHBondContact O-N 3.46Å; I189-Y193 HydrophobicContact CB-CE2 4.29Å; I189-Y193 HydrophobicContact CG1-CD2 4.43Å; I189-Y193 HydrophobicContact CG1-CE2 3.56Å; I189-Y193 HydrophobicContact CG2-CE2 4.04Å; I189-Y193 WeakPolarHBondContact O-CD2 3.18Å; I189-Y193 WeakPolarHBondContact O-CE2 3.36Å; I189-Y193 PolarHBondContact O-N 3.24Å; I189-M207 HydrophobicContact CG2-SD 4.01Å; I189-I210 HydrophobicContact CB-CD1 3.92Å; I189-I210 HydrophobicContact CG2-CD1 3.44Å; I189-I210 VanDerWaalsContact CG2-CD1 3.44Å; I189-Y255 PolarHBondContact N-OH 2.96Å | ||
| 190 | L | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | -176.6 | -66.8 | 177.1 | 0 | 0 | 0 | 111.3 | E192 Y193 L194 M207 D251 E254 Y255 A423 I426 | L190-E192 VanDerWaalsContact C-N 3.26Å; L190-E192 PolarHBondContact O-N 3.2Å; L190-Y193 PolarHBondContact O-N 3.42Å; L190-L194 PolarHBondContact O-N 3.32Å; L190-M207 HydrophobicContact CD1-CE 4.4Å; L190-M207 HydrophobicContact CD1-SD 4.21Å; L190-M207 HydrophobicContact CD2-CG 4.5Å; L190-M207 HydrophobicContact CD2-SD 3.77Å; L190-M207 HydrophobicContact CG-SD 3.88Å; L190-D251 HydrophobicContact CB-CB 4.49Å; L190-D251 VanDerWaalsContact CB-OD1 3.26Å; L190-D251 WeakPolarHBondContact CB-OD1 3.34Å; L190-D251 HydrophobicContact CD1-CB 4.11Å; L190-D251 WeakPolarHBondContact CD1-OD1 3.47Å; L190-E254 HydrophobicContact CD1-CB 3.89Å; L190-E254 HydrophobicContact CD1-CG 4.09Å; L190-Y255 WeakPolarHBondContact CB-OH 3.43Å; L190-Y255 HydrophobicContact CD1-CE1 3.95Å; L190-Y255 HydrophobicContact CD1-CE2 4.2Å; L190-Y255 HydrophobicContact CG-CE1 4.01Å; L190-Y255 WeakPolarHBondContact CG-OH 3.36Å; L190-Y255 PolarHBondContact N-OH 3.25Å; L190-A423 HydrophobicContact CD2-CB 4.44Å; L190-I426 HydrophobicContact CB-CD1 3.85Å; L190-I426 HydrophobicContact CD2-CD1 3.82Å; L190-I426 HydrophobicContact CG-CD1 4.36Å |
| 191 | K | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65 | -22.4 | 171.6 | 63.9 | 130.3 | 170 | 64.1 | 0 | 114.9 | N157 D188 I189 Y193 L194 C195 R196 H233 M234 | N157-K191 PolarHBondContact ND2-NZ 3.2Å; N157-K191 PolarHBondContact OD1-NZ 3.44Å; D188-K191 HydrophobicContact CB-CG 4.14Å; D188-K191 VanDerWaalsContact CG-CG 3.48Å; D188-K191 WeakPolarHBondContact O-CG 3.45Å; D188-K191 PolarHBondContact O-NZ 3.41Å; I189-K191 PolarHBondContact O-N 3.28Å; K191-Y193 VanDerWaalsContact C-N 3.3Å; K191-L194 PolarHBondContact O-N 3.35Å; K191-C195 PolarHBondContact O-N 3.02Å; K191-C195 PolarHBondContact O-SG 3.18Å; K191-C195 VanDerWaalsContact O-SG 3.4Å; K191-R196 PolarHBondContact O-N 3.26Å; K191-H233 HydrophobicContact CD-CB 4.24Å; K191-H233 VanDerWaalsContact CD-ND1 3.26Å; K191-H233 WeakPolarHBondContact CD-ND1 3.35Å; K191-H233 VanDerWaalsContact CE-CE1 3.46Å; K191-H233 WeakPolarHBondContact CE-CE1 3.49Å; K191-H233 WeakPolarHBondContact CE-ND1 2.89Å; K191-M234 HydrophobicContact CB-CE 3.85Å |
| 192 | E | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -64.6 | -40.5 | 175 | -61.8 | -61.9 | 154.8 | 0 | 0 | 110.7 | N157 I189 L190 L194 R196 N197 T198 Y199 | N157-E192 HydrophobicContact CB-CG 3.81Å; N157-E192 WeakPolarHBondContact CB-OE1 3.41Å; N157-E192 PolarHBondContact ND2-OE1 3.04Å; I189-E192 HydrophobicContact CD1-CB 4.27Å; I189-E192 HydrophobicContact CD1-CG 4Å; I189-E192 WeakPolarHBondContact O-CA 3.47Å; I189-E192 WeakPolarHBondContact O-CB 3.35Å; I189-E192 PolarHBondContact O-N 3.46Å; L190-E192 VanDerWaalsContact C-N 3.26Å; L190-E192 PolarHBondContact O-N 3.2Å; E192-L194 VanDerWaalsContact C-N 3.28Å; E192-L194 PolarHBondContact O-N 3.42Å; E192-R196 VanDerWaalsContact OE1-CD 3.25Å; E192-R196 WeakPolarHBondContact OE1-CD 3.45Å; E192-R196 IonicContact OE1-NH1 3.28Å; E192-R196 VanDerWaalsContact OE2-CB 3.27Å; E192-R196 WeakPolarHBondContact OE2-CB 3.48Å; E192-R196 WeakPolarHBondContact OE2-CG 3.43Å; E192-N197 WeakPolarHBondContact O-CA 3.36Å; E192-N197 PolarHBondContact O-N 2.9Å; E192-T198 PolarHBondContact OE1-OG1 2.89Å; E192-T198 WeakPolarHBondContact OE2-CA 3.41Å; E192-T198 WeakPolarHBondContact OE2-CB 3.31Å; E192-T198 PolarHBondContact OE2-N 3.1Å; E192-T198 PolarHBondContact OE2-OG1 2.98Å; E192-Y199 HydrophobicContact CB-CD1 4.08Å; E192-Y199 WeakPolarHBondContact O-CD1 3.47Å |
| 193 | Y | 93.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 8 Ų | 8 | 6% | 0.063 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -72.1 | -23.1 | 177.3 | -56.1 | -61.7 | 0 | 0 | 0 | 112.9 | I189 L190 K191 Y199 Y201 P202 P203 S206 Y542 | I189-Y193 HydrophobicContact CB-CE2 4.29Å; I189-Y193 HydrophobicContact CG1-CD2 4.43Å; I189-Y193 HydrophobicContact CG1-CE2 3.56Å; I189-Y193 HydrophobicContact CG2-CE2 4.04Å; I189-Y193 WeakPolarHBondContact O-CD2 3.18Å; I189-Y193 WeakPolarHBondContact O-CE2 3.36Å; I189-Y193 PolarHBondContact O-N 3.24Å; L190-Y193 PolarHBondContact O-N 3.42Å; K191-Y193 VanDerWaalsContact C-N 3.3Å; Y193-Y199 AromaticContact CD1-CD1 3.5Å; Y193-Y199 HydrophobicContact CD1-CD1 3.5Å; Y193-Y199 HydrophobicContact CD1-CD2 4.44Å; Y193-Y199 HydrophobicContact CD1-CE1 4.09Å; Y193-Y199 AromaticContact CD1-CG 3.72Å; Y193-Y199 HydrophobicContact CD1-CG 3.72Å; Y193-Y199 VanDerWaalsContact CE1-CB 3.48Å; Y193-Y199 AromaticContact CE1-CD1 3.92Å; Y193-Y199 HydrophobicContact CE1-CD1 3.92Å; Y193-Y199 HydrophobicContact CE1-CD2 4.23Å; Y193-Y199 AromaticContact CE1-CG 3.61Å; Y193-Y199 HydrophobicContact CE1-CG 3.61Å; Y193-Y199 HydrophobicContact CG-CD1 4.35Å; Y193-Y201 PolarHBondContact OH-O 3.39Å; Y193-P202 PolarHBondContact OH-O 3.15Å; Y193-P203 HydrophobicContact CD2-CG 4.26Å; Y193-P203 HydrophobicContact CE1-CG 4.21Å; Y193-P203 HydrophobicContact CE2-CB 3.99Å; Y193-P203 HydrophobicContact CE2-CG 3.95Å; Y193-P203 WeakPolarHBondContact OH-CA 3.27Å; Y193-S206 WeakPolarHBondContact OH-CB 3.35Å; Y193-S206 PolarHBondContact OH-OG 2.92Å; Y193-Y542 AromaticContact CD1-CD1 3.7Å; Y193-Y542 HydrophobicContact CD1-CD1 3.7Å; Y193-Y542 AromaticContact CD1-CE1 3.57Å; Y193-Y542 HydrophobicContact CD1-CE1 3.57Å; Y193-Y542 AromaticContact CE1-CD1 3.51Å; Y193-Y542 HydrophobicContact CE1-CD1 3.51Å; Y193-Y542 AromaticContact CE1-CE1 3.78Å; Y193-Y542 HydrophobicContact CE1-CE1 3.78Å; Y193-Y542 HydrophobicContact CE1-CG 4.29Å |
| 194 | L | 93 | Very high | 96.2 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -82.7 | -51.1 | 179.3 | -70.6 | 177 | 0 | 0 | 0 | 113.2 | L190 K191 E192 M234 M422 I426 P431 K432 | L190-L194 PolarHBondContact O-N 3.32Å; K191-L194 PolarHBondContact O-N 3.35Å; E192-L194 VanDerWaalsContact C-N 3.28Å; E192-L194 PolarHBondContact O-N 3.42Å; L194-M234 HydrophobicContact CD1-CE 4.05Å; L194-M422 HydrophobicContact CD1-CE 3.54Å; L194-I426 HydrophobicContact CD1-CD1 4.35Å; L194-I426 HydrophobicContact CD1-CG1 4.29Å; L194-I426 HydrophobicContact CD2-CD1 4.46Å; L194-I426 HydrophobicContact CD2-CG1 3.66Å; L194-I426 HydrophobicContact CG-CD1 4.19Å; L194-I426 HydrophobicContact CG-CG1 3.92Å; L194-P431 HydrophobicContact CD1-CB 4.34Å; L194-P431 HydrophobicContact CD2-CB 3.79Å; L194-P431 HydrophobicContact CD2-CG 4.24Å; L194-K432 HydrophobicContact CD2-CB 4.14Å; L194-K432 PolarHBondContact O-NZ 3.41Å |
| 195 | C | 92.4 | Very high | 96 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 8% | 0.081 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -147.1 | -23.6 | -165.4 | 56.5 | 0 | 0 | 0 | 0 | 116.9 | K191 H233 A237 | K191-C195 PolarHBondContact O-N 3.02Å; K191-C195 PolarHBondContact O-SG 3.18Å; K191-C195 VanDerWaalsContact O-SG 3.4Å; C195-H233 PolarHBondContact SG-O 3.19Å; C195-A237 HydrophobicContact CB-CB 3.55Å |
| 196 | R | 95.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 17.3 Ų | 17.3 | 16% | 0.162 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -95.9 | -22.8 | -172.8 | -167.6 | 179.5 | -169 | -83.9 | -2.7 | 114.3 | H111 K191 E192 T198 H233 | H111-R196 PolarHBondContact CE1-NH1 3.2Å; H111-R196 PolarHBondContact CE1-NH2 3.48Å; H111-R196 PolarHBondContact ND1-NH1 3.15Å; H111-R196 PolarHBondContact NE2-NH2 3.26Å; K191-R196 PolarHBondContact O-N 3.26Å; E192-R196 VanDerWaalsContact OE1-CD 3.25Å; E192-R196 WeakPolarHBondContact OE1-CD 3.45Å; E192-R196 IonicContact OE1-NH1 3.28Å; E192-R196 VanDerWaalsContact OE2-CB 3.27Å; E192-R196 WeakPolarHBondContact OE2-CB 3.48Å; E192-R196 WeakPolarHBondContact OE2-CG 3.43Å; R196-T198 VanDerWaalsContact C-N 3.32Å; R196-T198 PolarHBondContact NH1-OG1 3.32Å; R196-T198 PolarHBondContact O-N 2.94Å; R196-H233 HydrophobicContact CB-CB 4.3Å; R196-H233 WeakPolarHBondContact CD-CD2 3.44Å; R196-H233 WeakPolarHBondContact CD-NE2 3.27Å; R196-H233 PolarHBondContact NE-CD2 2.9Å; R196-H233 PolarHBondContact NE-NE2 3.5Å |
| 197 | N | 96 | Very high | 95.8 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | trans | 56.5 | 35 | 170.8 | -61.5 | -46.8 | 0 | 0 | 0 | 115.3 | E192 Y199 G596 D598 M620 F621 | E192-N197 WeakPolarHBondContact O-CA 3.36Å; E192-N197 PolarHBondContact O-N 2.9Å; N197-Y199 HydrophobicContact CB-CE1 4.35Å; N197-G596 PolarHBondContact ND2-O 2.87Å; N197-D598 PolarHBondContact ND2-OD2 3.48Å; N197-M620 HydrophobicContact CB-CE 4.12Å; N197-F621 HydrophobicContact CB-CZ 4.26Å; N197-F621 WeakPolarHBondContact O-CE1 3.43Å; N197-F621 WeakPolarHBondContact O-CZ 3.21Å | ||
| 198 | T | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.018 | 10% | 0.095 | C | C | . | . | trans | -111.5 | 26.6 | 171.2 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | L108 H111 G158 E192 R196 | L108-T198 HydrophobicContact CD2-CG2 4.27Å; H111-T198 HydrophobicContact CB-CG2 4.18Å; G158-T198 VanDerWaalsContact CA-O 3.26Å; G158-T198 WeakPolarHBondContact CA-O 3.46Å; E192-T198 PolarHBondContact OE1-OG1 2.89Å; E192-T198 WeakPolarHBondContact OE2-CA 3.41Å; E192-T198 WeakPolarHBondContact OE2-CB 3.31Å; E192-T198 PolarHBondContact OE2-N 3.1Å; E192-T198 PolarHBondContact OE2-OG1 2.98Å; R196-T198 VanDerWaalsContact C-N 3.32Å; R196-T198 PolarHBondContact NH1-OG1 3.32Å; R196-T198 PolarHBondContact O-N 2.94Å | ||
| 199 | Y | 96.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | trans | -69.8 | 154.3 | 170.5 | 50.4 | -102 | 0 | 0 | 0 | 112 | R112 E192 Y193 N197 Y542 F621 | R112-Y199 PolarHBondContact NE-O 2.95Å; R112-Y199 PolarHBondContact NH2-O 3.04Å; E192-Y199 HydrophobicContact CB-CD1 4.08Å; E192-Y199 WeakPolarHBondContact O-CD1 3.47Å; Y193-Y199 AromaticContact CD1-CD1 3.5Å; Y193-Y199 HydrophobicContact CD1-CD1 3.5Å; Y193-Y199 HydrophobicContact CD1-CD2 4.44Å; Y193-Y199 HydrophobicContact CD1-CE1 4.09Å; Y193-Y199 AromaticContact CD1-CG 3.72Å; Y193-Y199 HydrophobicContact CD1-CG 3.72Å; Y193-Y199 VanDerWaalsContact CE1-CB 3.48Å; Y193-Y199 AromaticContact CE1-CD1 3.92Å; Y193-Y199 HydrophobicContact CE1-CD1 3.92Å; Y193-Y199 HydrophobicContact CE1-CD2 4.23Å; Y193-Y199 AromaticContact CE1-CG 3.61Å; Y193-Y199 HydrophobicContact CE1-CG 3.61Å; Y193-Y199 HydrophobicContact CG-CD1 4.35Å; N197-Y199 HydrophobicContact CB-CE1 4.35Å; Y199-Y542 AromaticContact CD2-CD1 3.82Å; Y199-Y542 HydrophobicContact CD2-CD1 3.82Å; Y199-Y542 HydrophobicContact CD2-CG 4.49Å; Y199-Y542 AromaticContact CE2-CD1 3.79Å; Y199-Y542 HydrophobicContact CE2-CD1 3.79Å; Y199-Y542 WeakPolarHBondContact CE2-O 3.21Å; Y199-Y542 HydrophobicContact CG-CD1 4.36Å; Y199-F621 HydrophobicContact CE2-CE2 4.08Å | ||
| 200 | I | 98 | Very high | 95.5 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | trans | -115.2 | -62.1 | 171.5 | -54.7 | 176.3 | 0 | 0 | 0 | 108.7 | R112 A159 R541 Y542 | R112-I200 WeakPolarHBondContact O-CD1 3.12Å; R112-I200 WeakPolarHBondContact O-CG1 3.28Å; A159-I200 HydrophobicContact CB-CD1 4.06Å; I200-R541 HydrophobicContact CG2-CG 4.28Å; I200-R541 CarbonylContact O-C 3.6Å; I200-R541 WeakPolarHBondContact O-CA 3.35Å; I200-R541 WeakPolarHBondContact O-CG 3.33Å; I200-Y542 PolarHBondContact O-N 2.89Å | ||
| 201 | Y | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -93.4 | 163.9 | -173.9 | -38.3 | -69.1 | 0 | 0 | 0 | 112.6 | Y193 S206 I209 S532 L535 E536 F539 | Y193-Y201 PolarHBondContact OH-O 3.39Å; Y201-S206 PolarHBondContact O-OG 3.24Å; Y201-I209 HydrophobicContact CD2-CD1 3.48Å; Y201-I209 VanDerWaalsContact CD2-CD1 3.48Å; Y201-I209 HydrophobicContact CE2-CD1 3.62Å; Y201-S532 WeakPolarHBondContact OH-CA 3.46Å; Y201-S532 PolarHBondContact OH-O 3.42Å; Y201-L535 HydrophobicContact CE1-CB 3.84Å; Y201-L535 HydrophobicContact CE2-CD1 4.32Å; Y201-L535 WeakPolarHBondContact OH-CD1 3.46Å; Y201-E536 HydrophobicContact CE1-CB 4.32Å; Y201-F539 HydrophobicContact CD1-CB 4.06Å; Y201-F539 HydrophobicContact CD1-CD2 4.33Å; Y201-F539 HydrophobicContact CG-CB 4.32Å; Y201-F539 HydrophobicContact CG-CD2 4.26Å |
| 202 | P | 94.1 | Very high | 95.4 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 20% | 0.201 | 10% | 0.103 | C | C | . | . | trans | -60.8 | 162.1 | 174.5 | -24.8 | 33.8 | 0 | 0 | 0 | 113.6 | Y193 K204 P205 S206 F539 D540 Y542 | Y193-P202 PolarHBondContact OH-O 3.15Å; P202-K204 PolarHBondContact O-N 3.33Å; P202-P205 HydrophobicContact CB-CG 4.07Å; P202-P205 HydrophobicContact CG-CG 4.34Å; P202-P205 WeakPolarHBondContact O-CD 3.47Å; P202-P205 VanDerWaalsContact O-CG 3.27Å; P202-P205 WeakPolarHBondContact O-CG 3.39Å; P202-S206 WeakPolarHBondContact O-CB 3.35Å; P202-S206 PolarHBondContact O-N 2.88Å; P202-S206 VanDerWaalsContact O-N 3.16Å; P202-S206 PolarHBondContact O-OG 3.02Å; P202-F539 WeakPolarHBondContact CD-O 3.39Å; P202-F539 WeakPolarHBondContact CG-O 2.85Å; P202-D540 VanDerWaalsContact CD-O 3.31Å; P202-D540 WeakPolarHBondContact CD-O 3.44Å; P202-Y542 HydrophobicContact CB-CD2 3.93Å; P202-Y542 HydrophobicContact CG-CD2 4.15Å | ||
| 203 | P | 91.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 8% | 0.084 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.4 | -46.3 | -174.1 | -29.9 | 35.6 | 0 | 0 | 0 | 114.7 | Y193 S206 M207 | Y193-P203 HydrophobicContact CD2-CG 4.26Å; Y193-P203 HydrophobicContact CE1-CG 4.21Å; Y193-P203 HydrophobicContact CE2-CB 3.99Å; Y193-P203 HydrophobicContact CE2-CG 3.95Å; Y193-P203 WeakPolarHBondContact OH-CA 3.27Å; P203-S206 PolarHBondContact O-N 3.4Å; P203-M207 VanDerWaalsContact O-CG 3.31Å; P203-M207 WeakPolarHBondContact O-CG 3.36Å; P203-M207 PolarHBondContact O-N 2.99Å |
| 204 | K | 92.1 | Very high | 95.7 | Very high | 184 Ų | 184 | 20.9 Ų | 20.9 | 80% | 0.8 | 10% | 0.101 | S | C | * | . | H | α-helix | trans | -61.6 | -55.5 | -177 | -175.2 | -177.6 | -179.5 | -175.7 | 0 | 113.8 | P202 S206 M207 R208 | P202-K204 PolarHBondContact O-N 3.33Å; K204-S206 VanDerWaalsContact C-N 3.29Å; K204-S206 PolarHBondContact O-N 3.1Å; K204-M207 PolarHBondContact O-N 2.94Å; K204-R208 PolarHBondContact O-N 3.01Å |
| 205 | P | 94.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 22.5 Ų | 22.5 | 13% | 0.13 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 176 | 21.9 | -31.6 | 0 | 0 | 0 | 112.6 | P202 M207 R208 I209 F539 | P202-P205 HydrophobicContact CB-CG 4.07Å; P202-P205 HydrophobicContact CG-CG 4.34Å; P202-P205 WeakPolarHBondContact O-CD 3.47Å; P202-P205 VanDerWaalsContact O-CG 3.27Å; P202-P205 WeakPolarHBondContact O-CG 3.39Å; P205-M207 PolarHBondContact O-N 3.5Å; P205-R208 WeakPolarHBondContact O-CB 3.35Å; P205-R208 PolarHBondContact O-N 3Å; P205-I209 WeakPolarHBondContact O-CG1 3.42Å; P205-I209 PolarHBondContact O-N 2.75Å; P205-F539 HydrophobicContact CB-CB 3.81Å; P205-F539 HydrophobicContact CB-CD1 3.57Å; P205-F539 HydrophobicContact CB-CD2 3.72Å; P205-F539 HydrophobicContact CB-CE1 4.01Å; P205-F539 HydrophobicContact CB-CE2 4.13Å; P205-F539 HydrophobicContact CB-CG 3.42Å; P205-F539 VanDerWaalsContact CB-CG 3.42Å; P205-F539 HydrophobicContact CB-CZ 4.27Å; P205-F539 HydrophobicContact CG-CB 3.93Å; P205-F539 HydrophobicContact CG-CD1 4.43Å; P205-F539 HydrophobicContact CG-CG 4.12Å |
| 206 | S | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65 | -39.2 | 176 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | Y193 Y201 P202 P203 K204 R208 I209 I210 | Y193-S206 WeakPolarHBondContact OH-CB 3.35Å; Y193-S206 PolarHBondContact OH-OG 2.92Å; Y201-S206 PolarHBondContact O-OG 3.24Å; P202-S206 WeakPolarHBondContact O-CB 3.35Å; P202-S206 PolarHBondContact O-N 2.88Å; P202-S206 VanDerWaalsContact O-N 3.16Å; P202-S206 PolarHBondContact O-OG 3.02Å; P203-S206 PolarHBondContact O-N 3.4Å; K204-S206 VanDerWaalsContact C-N 3.29Å; K204-S206 PolarHBondContact O-N 3.1Å; S206-R208 VanDerWaalsContact C-N 3.26Å; S206-R208 PolarHBondContact O-N 2.81Å; S206-I209 WeakPolarHBondContact O-CB 3.18Å; S206-I209 PolarHBondContact O-N 2.99Å; S206-I209 VanDerWaalsContact O-N 3.17Å; S206-I210 PolarHBondContact O-N 3.23Å; S206-I210 VanDerWaalsContact O-N 3.13Å |
| 207 | M | 95 | Very high | 96 | Very high | 24 Ų | 24 | 21.8 Ų | 21.8 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 173.6 | -71.6 | -59.4 | -67.2 | 0 | 0 | 112.1 | I189 L190 P203 K204 P205 I210 A211 E254 Y255 A258 | I189-M207 HydrophobicContact CG2-SD 4.01Å; L190-M207 HydrophobicContact CD1-CE 4.4Å; L190-M207 HydrophobicContact CD1-SD 4.21Å; L190-M207 HydrophobicContact CD2-CG 4.5Å; L190-M207 HydrophobicContact CD2-SD 3.77Å; L190-M207 HydrophobicContact CG-SD 3.88Å; P203-M207 VanDerWaalsContact O-CG 3.31Å; P203-M207 WeakPolarHBondContact O-CG 3.36Å; P203-M207 PolarHBondContact O-N 2.99Å; K204-M207 PolarHBondContact O-N 2.94Å; P205-M207 PolarHBondContact O-N 3.5Å; M207-I210 PolarHBondContact O-N 3.34Å; M207-I210 HydrophobicContact SD-CD1 4.27Å; M207-A211 PolarHBondContact O-N 2.87Å; M207-A211 VanDerWaalsContact O-N 3.1Å; M207-E254 HydrophobicContact CE-CG 4.26Å; M207-Y255 HydrophobicContact CE-CD1 3.55Å; M207-Y255 HydrophobicContact CE-CE1 3.71Å; M207-Y255 HydrophobicContact SD-CD1 4.07Å; M207-Y255 HydrophobicContact SD-CE1 3.58Å; M207-Y255 VanDerWaalsContact SD-CE1 3.58Å; M207-A258 HydrophobicContact CE-CB 3.8Å |
| 208 | R | 95.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 23.2 Ų | 23.2 | 17% | 0.174 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 171.4 | 175.9 | -175 | 165 | -166.6 | -12.5 | 111.5 | K204 P205 S206 I210 A211 D212 A507 A508 N511 E512 | K204-R208 PolarHBondContact O-N 3.01Å; P205-R208 WeakPolarHBondContact O-CB 3.35Å; P205-R208 PolarHBondContact O-N 3Å; S206-R208 VanDerWaalsContact C-N 3.26Å; S206-R208 PolarHBondContact O-N 2.81Å; R208-I210 PolarHBondContact O-N 2.88Å; R208-A211 PolarHBondContact O-N 3Å; R208-A211 VanDerWaalsContact O-N 3.12Å; R208-D212 IonicContact NE-OD2 3.74Å; R208-D212 PolarHBondContact O-N 3.24Å; R208-A507 PolarHBondContact NH2-O 2.84Å; R208-A508 PolarHBondContact NH1-O 2.79Å; R208-N511 PolarHBondContact NH1-OD1 3.49Å; R208-N511 VanDerWaalsContact NH2-CA 3.32Å; R208-E512 PolarHBondContact NH2-O 3.16Å; R208-E512 VanDerWaalsContact NH2-O 3.13Å |
| 209 | I | 97.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.4 | -44.6 | 176.9 | -69.6 | 169.9 | 0 | 0 | 0 | 110.6 | V160 L161 Y201 P205 S206 D212 I213 L514 F539 | V160-I209 HydrophobicContact CG1-CG2 3.74Å; L161-I209 HydrophobicContact CD1-CB 4.45Å; L161-I209 HydrophobicContact CD1-CD1 4.08Å; L161-I209 HydrophobicContact CD1-CG1 3.93Å; L161-I209 HydrophobicContact CD1-CG2 3.76Å; L161-I209 HydrophobicContact CD2-CG2 4.17Å; L161-I209 HydrophobicContact CG-CG2 3.69Å; Y201-I209 HydrophobicContact CD2-CD1 3.48Å; Y201-I209 VanDerWaalsContact CD2-CD1 3.48Å; Y201-I209 HydrophobicContact CE2-CD1 3.62Å; P205-I209 WeakPolarHBondContact O-CG1 3.42Å; P205-I209 PolarHBondContact O-N 2.75Å; S206-I209 WeakPolarHBondContact O-CB 3.18Å; S206-I209 PolarHBondContact O-N 2.99Å; S206-I209 VanDerWaalsContact O-N 3.17Å; I209-D212 PolarHBondContact O-N 2.95Å; I209-I213 HydrophobicContact CG2-CD1 3.84Å; I209-I213 WeakPolarHBondContact O-CG1 3.45Å; I209-I213 PolarHBondContact O-N 2.74Å; I209-L514 HydrophobicContact CG1-CD1 3.7Å; I209-F539 HydrophobicContact CD1-CE2 4.24Å; I209-F539 HydrophobicContact CG1-CE2 4.38Å |
| 210 | I | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 177.5 | -65.8 | 172.4 | 0 | 0 | 0 | 111 | N187 I189 S206 M207 R208 D212 I213 I214 I227 Y255 | N187-I210 WeakPolarHBondContact O-CD1 3.45Å; N187-I210 WeakPolarHBondContact OD1-CG1 3.32Å; I189-I210 HydrophobicContact CB-CD1 3.92Å; I189-I210 HydrophobicContact CG2-CD1 3.44Å; I189-I210 VanDerWaalsContact CG2-CD1 3.44Å; S206-I210 PolarHBondContact O-N 3.23Å; S206-I210 VanDerWaalsContact O-N 3.13Å; M207-I210 PolarHBondContact O-N 3.34Å; M207-I210 HydrophobicContact SD-CD1 4.27Å; R208-I210 PolarHBondContact O-N 2.88Å; I210-D212 VanDerWaalsContact C-N 3.32Å; I210-D212 PolarHBondContact O-N 3.31Å; I210-I213 PolarHBondContact O-N 3.43Å; I210-I214 HydrophobicContact CG2-CD1 3.86Å; I210-I214 HydrophobicContact CG2-CG1 4.4Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.38Å; I210-I214 PolarHBondContact O-N 3.46Å; I210-I227 HydrophobicContact CG2-CD1 4.16Å; I210-Y255 HydrophobicContact CD1-CD1 4.13Å; I210-Y255 HydrophobicContact CD1-CE1 3.38Å; I210-Y255 HydrophobicContact CG2-CD1 3.98Å; I210-Y255 HydrophobicContact CG2-CE1 4.29Å |
| 211 | A | 96 | Very high | 95.6 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M207 R208 I214 A215 A262 | M207-A211 PolarHBondContact O-N 2.87Å; M207-A211 VanDerWaalsContact O-N 3.1Å; R208-A211 PolarHBondContact O-N 3Å; R208-A211 VanDerWaalsContact O-N 3.12Å; A211-I214 PolarHBondContact O-N 2.83Å; A211-A215 WeakPolarHBondContact O-CB 3.24Å; A211-A215 PolarHBondContact O-N 3.11Å; A211-A262 HydrophobicContact CB-CB 4Å |
| 212 | D | 97.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 177.3 | -81.6 | 7.1 | 0 | 0 | 0 | 112.4 | R208 I209 I210 A215 W216 N513 L514 | R208-D212 IonicContact NE-OD2 3.74Å; R208-D212 PolarHBondContact O-N 3.24Å; I209-D212 PolarHBondContact O-N 2.95Å; I210-D212 VanDerWaalsContact C-N 3.32Å; I210-D212 PolarHBondContact O-N 3.31Å; D212-A215 PolarHBondContact O-N 3.11Å; D212-W216 WeakPolarHBondContact O-CB 3.37Å; D212-W216 PolarHBondContact O-N 2.8Å; D212-N513 PolarHBondContact O-ND2 3.49Å; D212-L514 HydrophobicContact CB-CB 4.48Å; D212-L514 VanDerWaalsContact OD2-CG 3.26Å; D212-L514 WeakPolarHBondContact OD2-CG 3.41Å; D212-L514 PolarHBondContact OD2-N 3.01Å |
| 213 | I | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 174.7 | -71.2 | 166 | 0 | 0 | 0 | 110.3 | V160 L161 L164 N187 I209 I210 A215 W216 C217 L515 | V160-I213 HydrophobicContact CB-CD1 4.31Å; V160-I213 HydrophobicContact CG1-CD1 3.64Å; V160-I213 HydrophobicContact CG2-CD1 3.73Å; L161-I213 HydrophobicContact CD2-CD1 4.18Å; L161-I213 HydrophobicContact CD2-CG1 4.06Å; L164-I213 HydrophobicContact CD2-CG1 4.49Å; L164-I213 HydrophobicContact CD2-CG2 3.89Å; N187-I213 WeakPolarHBondContact OD1-CD1 3.42Å; I209-I213 HydrophobicContact CG2-CD1 3.84Å; I209-I213 WeakPolarHBondContact O-CG1 3.45Å; I209-I213 PolarHBondContact O-N 2.74Å; I210-I213 PolarHBondContact O-N 3.43Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 2.7Å; I213-W216 PolarHBondContact O-N 2.75Å; I213-C217 VanDerWaalsContact O-CB 3.27Å; I213-C217 WeakPolarHBondContact O-CB 3.36Å; I213-C217 PolarHBondContact O-N 2.82Å; I213-C217 PolarHBondContact O-SG 2.98Å; I213-C217 VanDerWaalsContact O-SG 3.4Å; I213-L515 HydrophobicContact CG1-CB 4.39Å; I213-L515 HydrophobicContact CG1-CD2 4.31Å |
| 214 | I | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 178.1 | -65.3 | 172 | 0 | 0 | 0 | 109.7 | I210 A211 W216 C217 S218 A259 L264 F269 | I210-I214 HydrophobicContact CG2-CD1 3.86Å; I210-I214 HydrophobicContact CG2-CG1 4.4Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.38Å; I210-I214 PolarHBondContact O-N 3.46Å; A211-I214 PolarHBondContact O-N 2.83Å; I214-W216 PolarHBondContact O-N 3.06Å; I214-C217 PolarHBondContact O-N 3.04Å; I214-S218 WeakPolarHBondContact O-CB 3.43Å; I214-S218 PolarHBondContact O-N 3.38Å; I214-S218 PolarHBondContact O-OG 3.04Å; I214-A259 HydrophobicContact CD1-CB 4.36Å; I214-L264 HydrophobicContact CB-CD1 4.27Å; I214-L264 HydrophobicContact CG2-CD1 3.59Å; I214-F269 HydrophobicContact CG2-CB 3.48Å; I214-F269 VanDerWaalsContact CG2-CB 3.48Å; I214-F269 HydrophobicContact CG2-CD2 4.09Å; I214-F269 HydrophobicContact CG2-CG 3.88Å |
| 215 | A | 95.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60 | -46.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A211 D212 I213 L264 | A211-A215 WeakPolarHBondContact O-CB 3.24Å; A211-A215 PolarHBondContact O-N 3.11Å; D212-A215 PolarHBondContact O-N 3.11Å; I213-A215 VanDerWaalsContact C-N 3.34Å; I213-A215 PolarHBondContact O-N 2.7Å; A215-L264 HydrophobicContact CB-CD1 4.13Å; A215-L264 HydrophobicContact CB-CD2 4.16Å; A215-L264 HydrophobicContact CB-CG 4.49Å |
| 216 | W | 96.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 15% | 0.148 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.4 | -45 | -179.5 | -169.3 | 96.4 | 0 | 0 | 0 | 112 | I168 P178 D212 I213 I214 G219 N220 M221 L515 | I168-W216 HydrophobicContact CD1-CH2 3.92Å; I168-W216 HydrophobicContact CD1-CZ3 3.69Å; I168-W216 HydrophobicContact CG2-CH2 4.47Å; P178-W216 HydrophobicContact CB-CH2 4.33Å; P178-W216 HydrophobicContact CG-CH2 4.41Å; D212-W216 WeakPolarHBondContact O-CB 3.37Å; D212-W216 PolarHBondContact O-N 2.8Å; I213-W216 PolarHBondContact O-N 2.75Å; I214-W216 PolarHBondContact O-N 3.06Å; W216-G219 PolarHBondContact O-N 2.97Å; W216-N220 HydrophobicContact CD2-CB 4.14Å; W216-N220 HydrophobicContact CE3-CB 3.93Å; W216-N220 HydrophobicContact CH2-CB 3.7Å; W216-N220 HydrophobicContact CZ2-CB 3.91Å; W216-N220 HydrophobicContact CZ3-CB 3.72Å; W216-N220 WeakPolarHBondContact O-CB 3.48Å; W216-N220 PolarHBondContact O-N 3.21Å; W216-N220 PolarHBondContact O-ND2 2.99Å; W216-M221 HydrophobicContact CE3-SD 4.42Å; W216-M221 HydrophobicContact CZ3-CG 3.78Å; W216-M221 HydrophobicContact CZ3-SD 3.67Å; W216-L515 HydrophobicContact CB-CB 4.35Å; W216-L515 HydrophobicContact CB-CD2 4.06Å; W216-L515 HydrophobicContact CD2-CD2 3.85Å; W216-L515 HydrophobicContact CD2-CG 4.26Å; W216-L515 HydrophobicContact CE3-CD2 3.53Å; W216-L515 HydrophobicContact CE3-CG 4.31Å; W216-L515 HydrophobicContact CG-CB 4.39Å; W216-L515 HydrophobicContact CG-CD2 4.08Å; W216-L515 HydrophobicContact CG-CG 4.37Å; W216-L515 HydrophobicContact CZ3-CD2 4.27Å |
| 217 | C | 97 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.9 | -35.7 | -179.7 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | I213 I214 G219 N220 M221 T226 | I213-C217 VanDerWaalsContact O-CB 3.27Å; I213-C217 WeakPolarHBondContact O-CB 3.36Å; I213-C217 PolarHBondContact O-N 2.82Å; I213-C217 PolarHBondContact O-SG 2.98Å; I213-C217 VanDerWaalsContact O-SG 3.4Å; I214-C217 PolarHBondContact O-N 3.04Å; C217-G219 PolarHBondContact O-N 3.33Å; C217-N220 PolarHBondContact O-N 3.13Å; C217-M221 HydrophobicContact CB-CB 4.21Å; C217-M221 CarbonylContact O-C 3.6Å; C217-M221 WeakPolarHBondContact O-CA 3.4Å; C217-M221 PolarHBondContact O-N 3.07Å; C217-T226 HydrophobicContact CB-CG2 3.42Å; C217-T226 VanDerWaalsContact CB-CG2 3.42Å |
| 218 | S | 92.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 27.4 Ų | 27.4 | 25% | 0.245 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -32.6 | 174.5 | -80.7 | 0 | 0 | 0 | 0 | 112.2 | I214 D268 | I214-S218 WeakPolarHBondContact O-CB 3.43Å; I214-S218 PolarHBondContact O-N 3.38Å; I214-S218 PolarHBondContact O-OG 3.04Å; S218-D268 PolarHBondContact OG-O 2.89Å |
| 219 | G | 92.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 25.2 Ų | 25.2 | 63% | 0.629 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -86.1 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | W216 C217 | W216-G219 PolarHBondContact O-N 2.97Å; C217-G219 PolarHBondContact O-N 3.33Å |
| 220 | N | 97 | Very high | 96.7 | Very high | 76 Ų | 76 | 25 Ų | 25 | 41% | 0.406 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -114.6 | -23.9 | -166.9 | -61.6 | -82.9 | 0 | 0 | 0 | 114.7 | P178 D179 W216 C217 P222 | P178-N220 CarbonylContact C-O 3.57Å; D179-N220 WeakPolarHBondContact CA-O 3.45Å; D179-N220 PolarHBondContact N-O 3.07Å; W216-N220 HydrophobicContact CD2-CB 4.14Å; W216-N220 HydrophobicContact CE3-CB 3.93Å; W216-N220 HydrophobicContact CH2-CB 3.7Å; W216-N220 HydrophobicContact CZ2-CB 3.91Å; W216-N220 HydrophobicContact CZ3-CB 3.72Å; W216-N220 WeakPolarHBondContact O-CB 3.48Å; W216-N220 PolarHBondContact O-N 3.21Å; W216-N220 PolarHBondContact O-ND2 2.99Å; C217-N220 PolarHBondContact O-N 3.13Å; N220-P222 VanDerWaalsContact C-CD 3.45Å |
| 221 | M | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | trans | -129.3 | 58.2 | -178 | -66.3 | 176.7 | 73.5 | 0 | 0 | 111.4 | Y167 I168 P178 L181 W216 C217 R223 F224 | Y167-M221 HydrophobicContact CE1-CE 4.19Å; I168-M221 HydrophobicContact CD1-SD 3.92Å; I168-M221 HydrophobicContact CG1-CE 4.49Å; I168-M221 HydrophobicContact CG1-SD 3.97Å; P178-M221 HydrophobicContact CB-CG 3.73Å; L181-M221 HydrophobicContact CB-CE 3.87Å; L181-M221 HydrophobicContact CD1-CE 3.89Å; W216-M221 HydrophobicContact CE3-SD 4.42Å; W216-M221 HydrophobicContact CZ3-CG 3.78Å; W216-M221 HydrophobicContact CZ3-SD 3.67Å; C217-M221 HydrophobicContact CB-CB 4.21Å; C217-M221 CarbonylContact O-C 3.6Å; C217-M221 WeakPolarHBondContact O-CA 3.4Å; C217-M221 PolarHBondContact O-N 3.07Å; M221-R223 PolarHBondContact O-N 3.08Å; M221-F224 HydrophobicContact CB-CB 3.89Å; M221-F224 HydrophobicContact CE-CB 3.8Å; M221-F224 HydrophobicContact CE-CD1 3.95Å; M221-F224 HydrophobicContact CE-CD2 3.48Å; M221-F224 VanDerWaalsContact CE-CD2 3.48Å; M221-F224 HydrophobicContact CE-CE1 4.35Å; M221-F224 HydrophobicContact CE-CE2 3.96Å; M221-F224 HydrophobicContact CE-CG 3.48Å; M221-F224 VanDerWaalsContact CE-CG 3.48Å; M221-F224 HydrophobicContact CE-CZ 4.38Å; M221-F224 WeakPolarHBondContact O-CB 3.28Å; M221-F224 PolarHBondContact O-N 3.29Å | ||
| 222 | P | 94.9 | Very high | 96.8 | Very high | 63 Ų | 63 | 25.6 Ų | 25.6 | 41% | 0.409 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -2.1 | -170.5 | 28.8 | -38.9 | 0 | 0 | 0 | 114.7 | N220 R272 | N220-P222 VanDerWaalsContact C-CD 3.45Å; P222-R272 PolarHBondContact O-NE 2.57Å; P222-R272 PolarHBondContact O-NH2 3.27Å |
| 223 | R | 95.4 | Very high | 96.9 | Very high | 140 Ų | 140 | 25.5 Ų | 25.5 | 53% | 0.528 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -5.4 | 176.1 | -59.5 | -179.4 | -177.4 | -173.5 | 1.5 | 113.6 | D179 T182 M221 | D179-R223 WeakPolarHBondContact O-CD 3.27Å; T182-R223 HydrophobicContact CG2-CB 4.05Å; M221-R223 PolarHBondContact O-N 3.08Å |
| 224 | F | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136.6 | -176.3 | -161.5 | -99.4 | 0 | 0 | 0 | 110.4 | M154 L164 Y167 I185 M221 R272 | M154-F224 HydrophobicContact CE-CE2 4.47Å; M154-F224 HydrophobicContact CE-CZ 3.89Å; L164-F224 HydrophobicContact CD1-CE1 4.08Å; L164-F224 HydrophobicContact CD1-CZ 4.13Å; Y167-F224 HydrophobicContact CD1-CE2 4.42Å; Y167-F224 HydrophobicContact CE1-CD2 4.39Å; Y167-F224 AromaticContact CE1-CE2 3.69Å; Y167-F224 HydrophobicContact CE1-CE2 3.69Å; Y167-F224 HydrophobicContact CE1-CZ 4.32Å; I185-F224 HydrophobicContact CB-CE1 3.77Å; I185-F224 HydrophobicContact CB-CZ 4.13Å; I185-F224 HydrophobicContact CG2-CE1 3.67Å; M221-F224 HydrophobicContact CB-CB 3.89Å; M221-F224 HydrophobicContact CE-CB 3.8Å; M221-F224 HydrophobicContact CE-CD1 3.95Å; M221-F224 HydrophobicContact CE-CD2 3.48Å; M221-F224 VanDerWaalsContact CE-CD2 3.48Å; M221-F224 HydrophobicContact CE-CE1 4.35Å; M221-F224 HydrophobicContact CE-CE2 3.96Å; M221-F224 HydrophobicContact CE-CG 3.48Å; M221-F224 VanDerWaalsContact CE-CG 3.48Å; M221-F224 HydrophobicContact CE-CZ 4.38Å; M221-F224 WeakPolarHBondContact O-CB 3.28Å; M221-F224 PolarHBondContact O-N 3.29Å; F224-R272 WeakPolarHBondContact O-CD 3.38Å |
| 225 | N | 97 | Very high | 96.9 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.7 | 171.9 | -55.2 | -55 | 0 | 0 | 0 | 108.2 | G183 T184 I185 I227 R272 R315 | G183-N225 PolarHBondContact O-N 2.78Å; G183-N225 PolarHBondContact O-ND2 3.19Å; T184-N225 WeakPolarHBondContact CA-O 3.49Å; T184-N225 HydrophobicContact CG2-CB 3.94Å; T184-N225 WeakPolarHBondContact OG1-CB 3.23Å; T184-N225 PolarHBondContact OG1-ND2 3.06Å; I185-N225 PolarHBondContact N-O 2.9Å; N225-I227 VanDerWaalsContact C-N 3.32Å; N225-I227 PolarHBondContact O-N 3.11Å; N225-R272 VanDerWaalsContact CA-O 3.27Å; N225-R272 WeakPolarHBondContact CA-O 3.31Å; N225-R272 WeakPolarHBondContact CB-O 3.42Å; N225-R315 PolarHBondContact OD1-NH1 3.18Å; N225-R315 PolarHBondContact OD1-NH2 2.98Å; N225-R315 VanDerWaalsContact OD1-NH2 3.13Å |
| 226 | T | 97.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | trans | -81.4 | -12.9 | -167.4 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | I185 N187 C217 R272 | I185-T226 VanDerWaalsContact CG2-O 3.26Å; I185-T226 WeakPolarHBondContact CG2-O 3.36Å; N187-T226 PolarHBondContact ND2-O 3.18Å; C217-T226 HydrophobicContact CB-CG2 3.42Å; C217-T226 VanDerWaalsContact CB-CG2 3.42Å; T226-R272 PolarHBondContact N-O 3.47Å | ||
| 227 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 147.4 | 179.4 | -170.9 | 167.3 | 0 | 0 | 0 | 109.7 | I185 Q186 N187 D188 I210 N225 I229 Y255 L273 S274 | I185-I227 CarbonylContact O-C 3.57Å; I185-I227 WeakPolarHBondContact O-CA 3.3Å; Q186-I227 WeakPolarHBondContact O-CG1 3.46Å; N187-I227 HydrophobicContact CB-CG1 4.43Å; N187-I227 WeakPolarHBondContact O-CD1 3.48Å; N187-I227 WeakPolarHBondContact O-CG1 3.32Å; D188-I227 HydrophobicContact CB-CD1 4.5Å; D188-I227 HydrophobicContact CB-CG1 4.34Å; I210-I227 HydrophobicContact CG2-CD1 4.16Å; N225-I227 VanDerWaalsContact C-N 3.32Å; N225-I227 PolarHBondContact O-N 3.11Å; I227-I229 HydrophobicContact CD1-CG1 4.28Å; I227-I229 HydrophobicContact CG1-CG1 4.17Å; I227-I229 HydrophobicContact CG2-CG1 4.22Å; I227-Y255 HydrophobicContact CD1-CD1 3.89Å; I227-Y255 HydrophobicContact CD1-CD2 3.49Å; I227-Y255 VanDerWaalsContact CD1-CD2 3.49Å; I227-Y255 HydrophobicContact CD1-CE1 3.97Å; I227-Y255 HydrophobicContact CD1-CE2 3.54Å; I227-Y255 HydrophobicContact CD1-CG 3.67Å; I227-L273 HydrophobicContact CG2-CD2 3.25Å; I227-L273 HydrophobicContact CG2-CG 4.48Å; I227-S274 PolarHBondContact O-N 2.81Å; I227-S274 VanDerWaalsContact O-N 3.16Å; I227-S274 PolarHBondContact O-OG 3.25Å |
| 228 | S | 98.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 94.8 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | I185 Q186 S230 S274 F276 | I185-S228 PolarHBondContact O-N 3.32Å; Q186-S228 PolarHBondContact O-N 3.35Å; S228-S230 PolarHBondContact O-N 3.23Å; S228-S230 PolarHBondContact O-OG 2.89Å; S228-S274 CarbonylContact C-O 3.52Å; S228-S274 WeakPolarHBondContact CA-O 3.34Å; S228-F276 WeakPolarHBondContact OG-CB 3.37Å |
| 229 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 114.5 | -176.2 | -52.1 | 159.7 | 0 | 0 | 0 | 108.7 | D188 I227 T248 D251 Y255 L273 S274 F275 F276 W297 | D188-I229 WeakPolarHBondContact OD2-CA 3.26Å; I227-I229 HydrophobicContact CD1-CG1 4.28Å; I227-I229 HydrophobicContact CG1-CG1 4.17Å; I227-I229 HydrophobicContact CG2-CG1 4.22Å; I229-T248 HydrophobicContact CG2-CG2 3.82Å; I229-T248 WeakPolarHBondContact CG2-O 3.37Å; I229-T248 WeakPolarHBondContact O-CG2 3.41Å; I229-D251 HydrophobicContact CG2-CB 4.1Å; I229-Y255 HydrophobicContact CG1-CD2 4.06Å; I229-Y255 HydrophobicContact CG1-CE2 4.46Å; I229-Y255 HydrophobicContact CG2-CD2 4.46Å; I229-Y255 HydrophobicContact CG2-CE2 4.44Å; I229-L273 HydrophobicContact CD1-CB 4.38Å; I229-S274 PolarHBondContact N-O 2.89Å; I229-F275 HydrophobicContact CB-CD1 3.84Å; I229-F275 HydrophobicContact CB-CE1 3.82Å; I229-F275 HydrophobicContact CB-CG 4.4Å; I229-F275 HydrophobicContact CB-CZ 4.39Å; I229-F275 HydrophobicContact CD1-CE1 3.9Å; I229-F275 HydrophobicContact CD1-CE2 4.01Å; I229-F275 HydrophobicContact CD1-CZ 3.6Å; I229-F275 HydrophobicContact CG1-CE1 4.48Å; I229-F275 HydrophobicContact CG2-CD1 4.19Å; I229-F275 HydrophobicContact CG2-CE1 3.89Å; I229-F275 CarbonylContact O-C 3.53Å; I229-F275 WeakPolarHBondContact O-CA 3.47Å; I229-F276 PolarHBondContact O-N 3.18Å; I229-W297 HydrophobicContact CD1-CH2 4.42Å |
| 230 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 109.4 | -151 | -67.5 | 0 | 0 | 0 | 0 | 114.2 | D188 S228 F276 | D188-S230 WeakPolarHBondContact OD2-CB 3.36Å; D188-S230 PolarHBondContact OD2-N 3.08Å; S228-S230 PolarHBondContact O-N 3.23Å; S228-S230 PolarHBondContact O-OG 2.89Å; S230-F276 CarbonylContact C-O 3.57Å; S230-F276 WeakPolarHBondContact CA-O 3.5Å |
| 231 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -86.9 | -18.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H233 M234 G235 Q244 T248 F276 | G231-H233 PolarHBondContact O-N 3.1Å; G231-M234 WeakPolarHBondContact O-CB 3.29Å; G231-M234 PolarHBondContact O-N 3.34Å; G231-G235 PolarHBondContact O-N 3.46Å; G231-Q244 PolarHBondContact O-OE1 3.37Å; G231-T248 WeakPolarHBondContact CA-OG1 3.46Å; G231-T248 PolarHBondContact N-OG1 3.36Å; G231-F276 PolarHBondContact N-O 3.2Å | ||
| 232 | Y | 98.5 | Very high | 97.8 | Very high | 23 Ų | 23 | 19.4 Ų | 19.4 | 9% | 0.09 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -48.5 | -56.9 | -179.6 | 169.5 | -102.4 | 0 | 0 | 0 | 112.4 | M234 G235 E236 F276 Q319 | Y232-M234 PolarHBondContact O-N 3.24Å; Y232-G235 WeakPolarHBondContact O-CA 3.27Å; Y232-G235 PolarHBondContact O-N 3.19Å; Y232-E236 HydrophobicContact CD1-CG 4.19Å; Y232-E236 HydrophobicContact CD2-CG 4.1Å; Y232-E236 HydrophobicContact CE1-CG 3.78Å; Y232-E236 HydrophobicContact CE2-CG 3.67Å; Y232-E236 HydrophobicContact CG-CG 4.34Å; Y232-E236 WeakPolarHBondContact O-CG 3.39Å; Y232-E236 PolarHBondContact O-N 3.43Å; Y232-F276 AromaticContact CD1-CE1 3.68Å; Y232-F276 HydrophobicContact CD1-CE1 3.68Å; Y232-F276 HydrophobicContact CD1-CE2 4.49Å; Y232-F276 AromaticContact CD1-CZ 3.53Å; Y232-F276 HydrophobicContact CD1-CZ 3.53Å; Y232-F276 HydrophobicContact CD2-CE2 4.18Å; Y232-F276 AromaticContact CD2-CZ 3.91Å; Y232-F276 HydrophobicContact CD2-CZ 3.91Å; Y232-F276 HydrophobicContact CE1-CZ 4.28Å; Y232-F276 AromaticContact CG-CE1 3.76Å; Y232-F276 HydrophobicContact CG-CE1 3.76Å; Y232-F276 AromaticContact CG-CE2 3.85Å; Y232-F276 HydrophobicContact CG-CE2 3.85Å; Y232-F276 AromaticContact CG-CZ 3.3Å; Y232-F276 HydrophobicContact CG-CZ 3.3Å; Y232-F276 PolarHBondContact N-O 3.33Å; Y232-F276 VanDerWaalsContact N-O 3.09Å; Y232-Q319 HydrophobicContact CD2-CB 3.81Å; Y232-Q319 HydrophobicContact CD2-CG 4.13Å; Y232-Q319 HydrophobicContact CE2-CB 3.79Å; Y232-Q319 HydrophobicContact CE2-CG 3.57Å; Y232-Q319 PolarHBondContact OH-NE2 2.64Å |
| 233 | H | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 17.1 Ų | 17.1 | 9% | 0.093 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.1 | -30.1 | -177.2 | -41.9 | 86 | 0 | 0 | 0 | 112.8 | Q186 K191 C195 R196 G231 A237 F276 | Q186-H233 PolarHBondContact NE2-CE1 2.87Å; Q186-H233 VanDerWaalsContact NE2-CE1 3.32Å; K191-H233 HydrophobicContact CD-CB 4.24Å; K191-H233 VanDerWaalsContact CD-ND1 3.26Å; K191-H233 WeakPolarHBondContact CD-ND1 3.35Å; K191-H233 VanDerWaalsContact CE-CE1 3.46Å; K191-H233 WeakPolarHBondContact CE-CE1 3.49Å; K191-H233 WeakPolarHBondContact CE-ND1 2.89Å; C195-H233 PolarHBondContact SG-O 3.19Å; R196-H233 HydrophobicContact CB-CB 4.3Å; R196-H233 WeakPolarHBondContact CD-CD2 3.44Å; R196-H233 WeakPolarHBondContact CD-NE2 3.27Å; R196-H233 PolarHBondContact NE-CD2 2.9Å; R196-H233 PolarHBondContact NE-NE2 3.5Å; G231-H233 PolarHBondContact O-N 3.1Å; H233-A237 WeakPolarHBondContact O-CB 3.44Å; H233-A237 PolarHBondContact O-N 2.97Å; H233-F276 AromaticContact CE1-CD1 3.95Å; H233-F276 AromaticContact CE1-CE1 3.72Å |
| 234 | M | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 173.8 | -55.4 | 175.4 | -172.6 | 0 | 0 | 109.8 | K191 L194 G231 Y232 A237 G238 A239 F247 D251 I435 | K191-M234 HydrophobicContact CB-CE 3.85Å; L194-M234 HydrophobicContact CD1-CE 4.05Å; G231-M234 WeakPolarHBondContact O-CB 3.29Å; G231-M234 PolarHBondContact O-N 3.34Å; Y232-M234 PolarHBondContact O-N 3.24Å; M234-A237 PolarHBondContact O-N 2.9Å; M234-G238 PolarHBondContact O-N 3.34Å; M234-A239 VanDerWaalsContact C-CB 3.43Å; M234-A239 HydrophobicContact CB-CB 3.92Å; M234-A239 WeakPolarHBondContact O-CB 3.5Å; M234-A239 PolarHBondContact O-N 3.15Å; M234-F247 HydrophobicContact CE-CB 4.04Å; M234-F247 HydrophobicContact SD-CB 3.4Å; M234-F247 WeakPolarHBondContact SD-CB 3.38Å; M234-F247 HydrophobicContact SD-CD2 4.29Å; M234-F247 HydrophobicContact SD-CG 4.34Å; M234-D251 WeakPolarHBondContact CE-OD2 3.47Å; M234-I435 HydrophobicContact CB-CD1 4.22Å; M234-I435 HydrophobicContact CG-CD1 4.46Å |
| 235 | G | 97.8 | Very high | 98.2 | Very high | 13 Ų | 13 | 11 Ų | 11 | 13% | 0.134 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | G231 Y232 A237 G238 A239 | G231-G235 PolarHBondContact O-N 3.46Å; Y232-G235 WeakPolarHBondContact O-CA 3.27Å; Y232-G235 PolarHBondContact O-N 3.19Å; G235-A237 PolarHBondContact O-N 3.15Å; G235-G238 PolarHBondContact O-N 3.19Å; G235-A239 WeakPolarHBondContact CA-O 3.35Å |
| 236 | E | 98 | Very high | 98.2 | Very high | 37 Ų | 37 | 9.7 Ų | 9.7 | 17% | 0.173 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.3 | -30.4 | 177.7 | -62.9 | -58.1 | 106.7 | 0 | 0 | 112.7 | Y232 G238 S321 G322 W323 R599 | Y232-E236 HydrophobicContact CD1-CG 4.19Å; Y232-E236 HydrophobicContact CD2-CG 4.1Å; Y232-E236 HydrophobicContact CE1-CG 3.78Å; Y232-E236 HydrophobicContact CE2-CG 3.67Å; Y232-E236 HydrophobicContact CG-CG 4.34Å; Y232-E236 WeakPolarHBondContact O-CG 3.39Å; Y232-E236 PolarHBondContact O-N 3.43Å; E236-G238 VanDerWaalsContact C-N 3.35Å; E236-S321 VanDerWaalsContact OE1-CA 3.26Å; E236-S321 WeakPolarHBondContact OE1-CA 3.4Å; E236-S321 WeakPolarHBondContact OE1-CB 3.11Å; E236-S321 PolarHBondContact OE1-OG 2.94Å; E236-G322 PolarHBondContact OE1-N 3.38Å; E236-G322 VanDerWaalsContact OE2-CA 3.3Å; E236-G322 WeakPolarHBondContact OE2-CA 3.39Å; E236-G322 PolarHBondContact OE2-N 3.34Å; E236-W323 PolarHBondContact OE2-N 3.17Å; E236-R599 WeakPolarHBondContact O-CD 3.37Å; E236-R599 PolarHBondContact O-NH1 3.02Å |
| 237 | A | 97.5 | Very high | 98.3 | Very high | 14 Ų | 14 | 9.6 Ų | 9.6 | 12% | 0.116 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -78 | -16.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C195 H233 M234 G235 I435 S439 R599 | C195-A237 HydrophobicContact CB-CB 3.55Å; H233-A237 WeakPolarHBondContact O-CB 3.44Å; H233-A237 PolarHBondContact O-N 2.97Å; M234-A237 PolarHBondContact O-N 2.9Å; G235-A237 PolarHBondContact O-N 3.15Å; A237-I435 HydrophobicContact CB-CG2 3.76Å; A237-S439 WeakPolarHBondContact O-CB 3.39Å; A237-S439 PolarHBondContact O-OG 2.88Å; A237-R599 WeakPolarHBondContact O-CD 3.29Å |
| 238 | G | 97.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 9.6 Ų | 9.6 | 12% | 0.124 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 127.8 | 3.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M234 G235 E236 N240 A438 | M234-G238 PolarHBondContact O-N 3.34Å; G235-G238 PolarHBondContact O-N 3.19Å; E236-G238 VanDerWaalsContact C-N 3.35Å; G238-N240 PolarHBondContact O-N 3.33Å; G238-A438 VanDerWaalsContact O-CB 3.26Å; G238-A438 WeakPolarHBondContact O-CB 3.42Å |
| 239 | A | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 9.1 Ų | 9.1 | 5% | 0.05 | 5% | 0.054 | C | C | . | . | trans | -66.1 | 127.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | M234 G235 Q243 Q244 I435 | M234-A239 VanDerWaalsContact C-CB 3.43Å; M234-A239 HydrophobicContact CB-CB 3.92Å; M234-A239 WeakPolarHBondContact O-CB 3.5Å; M234-A239 PolarHBondContact O-N 3.15Å; G235-A239 WeakPolarHBondContact CA-O 3.35Å; A239-Q243 VanDerWaalsContact CA-OE1 3.29Å; A239-Q243 HydrophobicContact CB-CB 3.89Å; A239-Q244 HydrophobicContact CB-CG 4Å; A239-I435 HydrophobicContact CB-CD1 4.46Å; A239-I435 HydrophobicContact CB-CG1 4.02Å | ||
| 240 | N | 97.9 | Very high | 98.3 | Very high | 26 Ų | 26 | 9.3 Ų | 9.3 | 14% | 0.139 | 6% | 0.056 | C | C | . | . | trans | -70.3 | 174.8 | 172.4 | 69.6 | 35.8 | 0 | 0 | 0 | 111.5 | A30 E31 G238 V242 Q243 Q244 | A30-N240 PolarHBondContact O-ND2 2.72Å; E31-N240 HydrophobicContact CG-CB 4.04Å; G238-N240 PolarHBondContact O-N 3.33Å; N240-V242 VanDerWaalsContact C-N 3.3Å; N240-V242 PolarHBondContact O-N 3.05Å; N240-V242 PolarHBondContact OD1-N 3.13Å; N240-V242 VanDerWaalsContact OD1-N 3.15Å; N240-Q243 PolarHBondContact O-N 3.2Å; N240-Q243 WeakPolarHBondContact OD1-CG 3.4Å; N240-Q243 PolarHBondContact OD1-N 3.3Å; N240-Q244 PolarHBondContact O-N 2.83Å | ||
| 241 | C | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 9.3 Ų | 9.3 | 6% | 0.061 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | -174.1 | -66.1 | 0 | 0 | 0 | 0 | 113.3 | E31 V245 M285 M289 | E31-C241 HydrophobicContact CG-CB 4.19Å; E31-C241 PolarHBondContact OE1-N 3.2Å; C241-V245 WeakPolarHBondContact O-CG2 3.18Å; C241-V245 PolarHBondContact O-N 2.99Å; C241-M285 HydrophobicContact CB-CG 3.66Å; C241-M285 HydrophobicContact CB-SD 4.4Å; C241-M285 WeakPolarHBondContact SG-CG 3.27Å; C241-M289 HydrophobicContact CB-CB 4.12Å; C241-M289 HydrophobicContact CB-CG 4Å; C241-M289 HydrophobicContact CB-SD 3.72Å |
| 242 | V | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 9.3 Ų | 9.3 | 2% | 0.024 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.3 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | E31 I33 N240 V245 A246 I405 Q408 A409 I412 | E31-V242 HydrophobicContact CB-CB 4.36Å; E31-V242 HydrophobicContact CB-CG2 3.78Å; E31-V242 HydrophobicContact CG-CB 4.26Å; E31-V242 HydrophobicContact CG-CG2 3.82Å; I33-V242 HydrophobicContact CD1-CG2 4.3Å; N240-V242 VanDerWaalsContact C-N 3.3Å; N240-V242 PolarHBondContact O-N 3.05Å; N240-V242 PolarHBondContact OD1-N 3.13Å; N240-V242 VanDerWaalsContact OD1-N 3.15Å; V242-V245 PolarHBondContact O-N 3.24Å; V242-A246 WeakPolarHBondContact O-CB 3.19Å; V242-A246 PolarHBondContact O-N 3.49Å; V242-I405 HydrophobicContact CG2-CB 4.4Å; V242-I405 HydrophobicContact CG2-CG1 4.15Å; V242-I405 HydrophobicContact CG2-CG2 4.18Å; V242-Q408 HydrophobicContact CG1-CB 3.62Å; V242-Q408 HydrophobicContact CG2-CB 4.13Å; V242-A409 HydrophobicContact CG1-CB 4.37Å; V242-I412 HydrophobicContact CG1-CD1 3.81Å |
| 243 | Q | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 9 Ų | 9 | 8% | 0.075 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.2 | -73.2 | 172.8 | -29.4 | 0 | 0 | 111.7 | A239 N240 V245 A246 F247 I412 M434 | A239-Q243 VanDerWaalsContact CA-OE1 3.29Å; A239-Q243 HydrophobicContact CB-CB 3.89Å; N240-Q243 PolarHBondContact O-N 3.2Å; N240-Q243 WeakPolarHBondContact OD1-CG 3.4Å; N240-Q243 PolarHBondContact OD1-N 3.3Å; Q243-V245 VanDerWaalsContact C-N 3.32Å; Q243-V245 PolarHBondContact O-N 2.99Å; Q243-A246 PolarHBondContact O-N 3.06Å; Q243-F247 HydrophobicContact CB-CD2 4.06Å; Q243-F247 HydrophobicContact CB-CE2 3.68Å; Q243-F247 HydrophobicContact CB-CZ 4.3Å; Q243-F247 HydrophobicContact CG-CE2 4.01Å; Q243-F247 HydrophobicContact CG-CZ 4.23Å; Q243-F247 WeakPolarHBondContact O-CB 3.42Å; Q243-F247 VanDerWaalsContact O-CD2 3.27Å; Q243-F247 WeakPolarHBondContact O-CD2 3.46Å; Q243-F247 VanDerWaalsContact O-CG 3.29Å; Q243-F247 WeakPolarHBondContact O-CG 3.21Å; Q243-F247 PolarHBondContact O-N 3.34Å; Q243-I412 HydrophobicContact CG-CD1 4.15Å; Q243-M434 PolarHBondContact NE2-O 2.8Å; Q243-M434 VanDerWaalsContact NE2-O 3.15Å |
| 244 | Q | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 9.8 Ų | 9.8 | 5% | 0.051 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.4 | -47.8 | 174.9 | -76.9 | -171.5 | 67.2 | 0 | 0 | 111.1 | G231 A239 N240 T248 G278 M289 | G231-Q244 PolarHBondContact O-OE1 3.37Å; A239-Q244 HydrophobicContact CB-CG 4Å; N240-Q244 PolarHBondContact O-N 2.83Å; Q244-T248 WeakPolarHBondContact O-CB 3.49Å; Q244-T248 PolarHBondContact O-N 3.16Å; Q244-T248 VanDerWaalsContact O-N 3.15Å; Q244-T248 PolarHBondContact O-OG1 3.16Å; Q244-G278 PolarHBondContact OE1-O 3.2Å; Q244-M289 HydrophobicContact CB-SD 4.12Å |
| 245 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.1 | -51.8 | 177.1 | 175 | 0 | 0 | 0 | 0 | 111 | C241 V242 Q243 L249 M289 A293 L296 I405 A409 | C241-V245 WeakPolarHBondContact O-CG2 3.18Å; C241-V245 PolarHBondContact O-N 2.99Å; V242-V245 PolarHBondContact O-N 3.24Å; Q243-V245 VanDerWaalsContact C-N 3.32Å; Q243-V245 PolarHBondContact O-N 2.99Å; V245-L249 HydrophobicContact CG1-CD1 3.79Å; V245-L249 HydrophobicContact CG1-CG 4.3Å; V245-L249 WeakPolarHBondContact O-CB 3.26Å; V245-L249 VanDerWaalsContact O-CG 3.23Å; V245-L249 WeakPolarHBondContact O-CG 3.39Å; V245-L249 PolarHBondContact O-N 3.07Å; V245-M289 HydrophobicContact CG2-CB 4.47Å; V245-M289 HydrophobicContact CG2-CG 3.33Å; V245-M289 HydrophobicContact CG2-SD 4.36Å; V245-A293 HydrophobicContact CG1-CB 4.34Å; V245-A293 HydrophobicContact CG2-CB 4.26Å; V245-L296 HydrophobicContact CG1-CD1 3.77Å; V245-I405 HydrophobicContact CG2-CG2 4.33Å; V245-A409 HydrophobicContact CB-CB 4.14Å; V245-A409 HydrophobicContact CG1-CB 3.83Å |
| 246 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.2 | -51.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V242 Q243 A250 A409 I412 I413 | V242-A246 WeakPolarHBondContact O-CB 3.19Å; V242-A246 PolarHBondContact O-N 3.49Å; Q243-A246 PolarHBondContact O-N 3.06Å; A246-A250 VanDerWaalsContact O-CB 3.3Å; A246-A250 WeakPolarHBondContact O-CB 3.37Å; A246-A250 PolarHBondContact O-N 3.3Å; A246-A409 HydrophobicContact CB-CB 4.16Å; A246-I412 HydrophobicContact CB-CB 3.56Å; A246-I412 HydrophobicContact CB-CD1 4.25Å; A246-I412 HydrophobicContact CB-CG1 4.48Å; A246-I412 HydrophobicContact CB-CG2 3.5Å; A246-I412 VanDerWaalsContact CB-CG2 3.5Å; A246-I413 HydrophobicContact CB-CG1 4.06Å |
| 247 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | -177.4 | -60.3 | -29.3 | 0 | 0 | 0 | 111.9 | M234 Q243 L249 A250 D251 I412 I416 M422 P431 M434 I435 | M234-F247 HydrophobicContact CE-CB 4.04Å; M234-F247 HydrophobicContact SD-CB 3.4Å; M234-F247 WeakPolarHBondContact SD-CB 3.38Å; M234-F247 HydrophobicContact SD-CD2 4.29Å; M234-F247 HydrophobicContact SD-CG 4.34Å; Q243-F247 HydrophobicContact CB-CD2 4.06Å; Q243-F247 HydrophobicContact CB-CE2 3.68Å; Q243-F247 HydrophobicContact CB-CZ 4.3Å; Q243-F247 HydrophobicContact CG-CE2 4.01Å; Q243-F247 HydrophobicContact CG-CZ 4.23Å; Q243-F247 WeakPolarHBondContact O-CB 3.42Å; Q243-F247 VanDerWaalsContact O-CD2 3.27Å; Q243-F247 WeakPolarHBondContact O-CD2 3.46Å; Q243-F247 VanDerWaalsContact O-CG 3.29Å; Q243-F247 WeakPolarHBondContact O-CG 3.21Å; Q243-F247 PolarHBondContact O-N 3.34Å; F247-L249 PolarHBondContact O-N 3.04Å; F247-A250 PolarHBondContact O-N 3.15Å; F247-D251 PolarHBondContact O-N 3.4Å; F247-I412 HydrophobicContact CD1-CG2 4.1Å; F247-I412 HydrophobicContact CE1-CG2 3.56Å; F247-I412 HydrophobicContact CZ-CG2 4.35Å; F247-I416 HydrophobicContact CD1-CD1 3.65Å; F247-I416 HydrophobicContact CE1-CD1 3.99Å; F247-M422 HydrophobicContact CB-CE 3.83Å; F247-M422 HydrophobicContact CD1-CE 4.26Å; F247-M422 HydrophobicContact CG-CE 4.28Å; F247-P431 HydrophobicContact CD1-CB 3.99Å; F247-P431 HydrophobicContact CD2-CB 4.46Å; F247-P431 HydrophobicContact CE1-CB 3.79Å; F247-P431 HydrophobicContact CE1-CG 4.43Å; F247-P431 HydrophobicContact CE2-CB 4.28Å; F247-P431 HydrophobicContact CG-CB 4.34Å; F247-P431 HydrophobicContact CZ-CB 3.95Å; F247-M434 HydrophobicContact CE1-SD 4.18Å; F247-M434 HydrophobicContact CZ-CB 4Å; F247-M434 HydrophobicContact CZ-CE 4.13Å; F247-M434 HydrophobicContact CZ-SD 3.87Å; F247-I435 HydrophobicContact CD2-CD1 4.07Å; F247-I435 HydrophobicContact CD2-CG1 4.18Å; F247-I435 HydrophobicContact CE2-CD1 4.08Å; F247-I435 HydrophobicContact CE2-CG1 3.72Å |
| 248 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | I229 G231 Q244 G252 F275 F277 | I229-T248 HydrophobicContact CG2-CG2 3.82Å; I229-T248 WeakPolarHBondContact CG2-O 3.37Å; I229-T248 WeakPolarHBondContact O-CG2 3.41Å; G231-T248 WeakPolarHBondContact CA-OG1 3.46Å; G231-T248 PolarHBondContact N-OG1 3.36Å; Q244-T248 WeakPolarHBondContact O-CB 3.49Å; Q244-T248 PolarHBondContact O-N 3.16Å; Q244-T248 VanDerWaalsContact O-N 3.15Å; Q244-T248 PolarHBondContact O-OG1 3.16Å; T248-G252 PolarHBondContact O-N 3.43Å; T248-F275 HydrophobicContact CG2-CD1 3.79Å; T248-F275 HydrophobicContact CG2-CE1 4.16Å; T248-F277 HydrophobicContact CG2-CE1 4Å; T248-F277 HydrophobicContact CG2-CZ 4.01Å |
| 249 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -71 | -36.2 | 177.2 | -64 | -174.4 | 0 | 0 | 0 | 111.6 | V245 F247 G252 I253 F275 L296 W297 L314 I413 | V245-L249 HydrophobicContact CG1-CD1 3.79Å; V245-L249 HydrophobicContact CG1-CG 4.3Å; V245-L249 WeakPolarHBondContact O-CB 3.26Å; V245-L249 VanDerWaalsContact O-CG 3.23Å; V245-L249 WeakPolarHBondContact O-CG 3.39Å; V245-L249 PolarHBondContact O-N 3.07Å; F247-L249 PolarHBondContact O-N 3.04Å; L249-G252 PolarHBondContact O-N 3.25Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 3.39Å; L249-F275 HydrophobicContact CD2-CD1 4.47Å; L249-F275 HydrophobicContact CD2-CE1 3.74Å; L249-F275 HydrophobicContact CD2-CZ 4.2Å; L249-L296 HydrophobicContact CD1-CB 3.34Å; L249-L296 HydrophobicContact CD1-CD1 4.11Å; L249-L296 HydrophobicContact CD1-CG 4.39Å; L249-W297 HydrophobicContact CD2-CB 3.98Å; L249-W297 HydrophobicContact CD2-CD2 4.46Å; L249-W297 HydrophobicContact CD2-CE3 3.94Å; L249-L314 HydrophobicContact CD2-CD1 3.93Å; L249-I413 HydrophobicContact CB-CD1 4.16Å; L249-I413 HydrophobicContact CD1-CD1 4.42Å |
| 250 | A | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 3% | 0.033 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A246 F247 G252 I253 E254 I416 M422 | A246-A250 VanDerWaalsContact O-CB 3.3Å; A246-A250 WeakPolarHBondContact O-CB 3.37Å; A246-A250 PolarHBondContact O-N 3.3Å; F247-A250 PolarHBondContact O-N 3.15Å; A250-G252 VanDerWaalsContact C-N 3.34Å; A250-I253 PolarHBondContact O-N 2.92Å; A250-E254 PolarHBondContact O-N 3.42Å; A250-I416 HydrophobicContact CB-CD1 3.87Å; A250-I416 HydrophobicContact CB-CG2 4.06Å; A250-M422 HydrophobicContact CB-CB 4.19Å; A250-M422 HydrophobicContact CB-CG 4.18Å; A250-M422 HydrophobicContact CB-SD 4.26Å |
| 251 | D | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 170.4 | -78.3 | -14.9 | 0 | 0 | 0 | 110.7 | L190 I229 M234 F247 I253 E254 Y255 M422 | L190-D251 HydrophobicContact CB-CB 4.49Å; L190-D251 VanDerWaalsContact CB-OD1 3.26Å; L190-D251 WeakPolarHBondContact CB-OD1 3.34Å; L190-D251 HydrophobicContact CD1-CB 4.11Å; L190-D251 WeakPolarHBondContact CD1-OD1 3.47Å; I229-D251 HydrophobicContact CG2-CB 4.1Å; M234-D251 WeakPolarHBondContact CE-OD2 3.47Å; F247-D251 PolarHBondContact O-N 3.4Å; D251-I253 VanDerWaalsContact C-N 3.33Å; D251-I253 PolarHBondContact O-N 3.24Å; D251-E254 WeakPolarHBondContact O-CB 3.38Å; D251-E254 PolarHBondContact O-N 3.24Å; D251-E254 VanDerWaalsContact O-N 3.07Å; D251-Y255 HydrophobicContact CB-CD2 4.44Å; D251-Y255 HydrophobicContact CB-CE2 4Å; D251-Y255 WeakPolarHBondContact O-CD2 3.11Å; D251-Y255 PolarHBondContact O-N 3.35Å; D251-M422 WeakPolarHBondContact OD1-CE 3.37Å; D251-M422 WeakPolarHBondContact OD1-CG 3.21Å |
| 252 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | T248 L249 A250 E254 Y255 I256 | T248-G252 PolarHBondContact O-N 3.43Å; L249-G252 PolarHBondContact O-N 3.25Å; A250-G252 VanDerWaalsContact C-N 3.34Å; G252-E254 VanDerWaalsContact C-N 3.34Å; G252-Y255 PolarHBondContact O-N 2.87Å; G252-I256 WeakPolarHBondContact O-CG1 3.27Å; G252-I256 PolarHBondContact O-N 2.76Å |
| 253 | I | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63 | -42 | 174.5 | -70.9 | 164.7 | 0 | 0 | 0 | 110.4 | L249 A250 D251 I256 K257 A300 F304 I413 | L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.44Å; L249-I253 PolarHBondContact O-N 3.39Å; A250-I253 PolarHBondContact O-N 2.92Å; D251-I253 VanDerWaalsContact C-N 3.33Å; D251-I253 PolarHBondContact O-N 3.24Å; I253-I256 PolarHBondContact O-N 3.02Å; I253-K257 HydrophobicContact CG2-CD 4.26Å; I253-K257 WeakPolarHBondContact O-CG 3.44Å; I253-K257 PolarHBondContact O-N 3.22Å; I253-A300 HydrophobicContact CD1-CB 3.98Å; I253-A300 HydrophobicContact CG1-CB 4.15Å; I253-F304 HydrophobicContact CG2-CE2 4.42Å; I253-F304 HydrophobicContact CG2-CZ 4.11Å; I253-I413 HydrophobicContact CD1-CG2 4.45Å |
| 254 | E | 97 | Very high | 96.4 | Very high | 36 Ų | 36 | 23.1 Ų | 23.1 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -40 | 178 | -158.6 | 63.5 | -155.7 | 0 | 0 | 111.9 | L190 M207 A250 D251 G252 K257 A258 M422 A423 | L190-E254 HydrophobicContact CD1-CB 3.89Å; L190-E254 HydrophobicContact CD1-CG 4.09Å; M207-E254 HydrophobicContact CE-CG 4.26Å; A250-E254 PolarHBondContact O-N 3.42Å; D251-E254 WeakPolarHBondContact O-CB 3.38Å; D251-E254 PolarHBondContact O-N 3.24Å; D251-E254 VanDerWaalsContact O-N 3.07Å; G252-E254 VanDerWaalsContact C-N 3.34Å; E254-K257 PolarHBondContact O-N 3.3Å; E254-K257 IonicContact OE2-NZ 3.84Å; E254-A258 WeakPolarHBondContact O-CB 3.45Å; E254-A258 PolarHBondContact O-N 3.26Å; E254-M422 HydrophobicContact CB-CB 4.34Å; E254-A423 HydrophobicContact CG-CB 4.26Å |
| 255 | Y | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 173.5 | -66.7 | -49.9 | 0 | 0 | 0 | 113 | D188 I189 L190 M207 I210 I227 I229 D251 G252 A258 A259 | D188-Y255 WeakPolarHBondContact CA-OH 3.49Å; D188-Y255 WeakPolarHBondContact OD1-CE2 3.39Å; D188-Y255 PolarHBondContact OD1-OH 3.19Å; I189-Y255 PolarHBondContact N-OH 2.96Å; L190-Y255 WeakPolarHBondContact CB-OH 3.43Å; L190-Y255 HydrophobicContact CD1-CE1 3.95Å; L190-Y255 HydrophobicContact CD1-CE2 4.2Å; L190-Y255 HydrophobicContact CG-CE1 4.01Å; L190-Y255 WeakPolarHBondContact CG-OH 3.36Å; L190-Y255 PolarHBondContact N-OH 3.25Å; M207-Y255 HydrophobicContact CE-CD1 3.55Å; M207-Y255 HydrophobicContact CE-CE1 3.71Å; M207-Y255 HydrophobicContact SD-CD1 4.07Å; M207-Y255 HydrophobicContact SD-CE1 3.58Å; M207-Y255 VanDerWaalsContact SD-CE1 3.58Å; I210-Y255 HydrophobicContact CD1-CD1 4.13Å; I210-Y255 HydrophobicContact CD1-CE1 3.38Å; I210-Y255 HydrophobicContact CG2-CD1 3.98Å; I210-Y255 HydrophobicContact CG2-CE1 4.29Å; I227-Y255 HydrophobicContact CD1-CD1 3.89Å; I227-Y255 HydrophobicContact CD1-CD2 3.49Å; I227-Y255 VanDerWaalsContact CD1-CD2 3.49Å; I227-Y255 HydrophobicContact CD1-CE1 3.97Å; I227-Y255 HydrophobicContact CD1-CE2 3.54Å; I227-Y255 HydrophobicContact CD1-CG 3.67Å; I229-Y255 HydrophobicContact CG1-CD2 4.06Å; I229-Y255 HydrophobicContact CG1-CE2 4.46Å; I229-Y255 HydrophobicContact CG2-CD2 4.46Å; I229-Y255 HydrophobicContact CG2-CE2 4.44Å; D251-Y255 HydrophobicContact CB-CD2 4.44Å; D251-Y255 HydrophobicContact CB-CE2 4Å; D251-Y255 WeakPolarHBondContact O-CD2 3.11Å; D251-Y255 PolarHBondContact O-N 3.35Å; G252-Y255 PolarHBondContact O-N 2.87Å; Y255-A258 PolarHBondContact O-N 2.88Å; Y255-A259 WeakPolarHBondContact O-CB 3.46Å; Y255-A259 PolarHBondContact O-N 3.16Å |
| 256 | I | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 172.5 | -75 | 171.5 | 0 | 0 | 0 | 110.4 | G252 I253 A258 A259 I260 I266 F269 L273 W297 V301 F304 | G252-I256 WeakPolarHBondContact O-CG1 3.27Å; G252-I256 PolarHBondContact O-N 2.76Å; I253-I256 PolarHBondContact O-N 3.02Å; I256-A258 VanDerWaalsContact C-N 3.29Å; I256-A258 PolarHBondContact O-N 3.36Å; I256-A259 PolarHBondContact O-N 2.92Å; I256-I260 HydrophobicContact CG2-CD1 3.63Å; I256-I260 HydrophobicContact CG2-CG1 4.37Å; I256-I260 WeakPolarHBondContact O-CG1 3.49Å; I256-I260 PolarHBondContact O-N 2.63Å; I256-I266 HydrophobicContact CD1-CD1 4.05Å; I256-I266 HydrophobicContact CG1-CD1 4.11Å; I256-I266 HydrophobicContact CG2-CD1 3.75Å; I256-F269 HydrophobicContact CB-CZ 4.39Å; I256-F269 HydrophobicContact CG1-CE2 4.02Å; I256-F269 HydrophobicContact CG1-CZ 4.22Å; I256-F269 HydrophobicContact CG2-CZ 4.27Å; I256-L273 HydrophobicContact CD1-CD1 4.24Å; I256-L273 HydrophobicContact CG1-CD1 3.9Å; I256-W297 HydrophobicContact CD1-CH2 3.37Å; I256-W297 HydrophobicContact CD1-CZ2 3.9Å; I256-W297 HydrophobicContact CD1-CZ3 4.11Å; I256-W297 HydrophobicContact CG1-CH2 4.23Å; I256-V301 HydrophobicContact CD1-CG2 3.87Å; I256-F304 HydrophobicContact CB-CE2 4.5Å; I256-F304 HydrophobicContact CB-CZ 4.4Å; I256-F304 HydrophobicContact CD1-CE2 4.48Å; I256-F304 HydrophobicContact CG2-CD1 3.67Å; I256-F304 HydrophobicContact CG2-CD2 3.92Å; I256-F304 HydrophobicContact CG2-CE1 3.65Å; I256-F304 HydrophobicContact CG2-CE2 3.9Å; I256-F304 HydrophobicContact CG2-CG 3.8Å; I256-F304 HydrophobicContact CG2-CZ 3.76Å |
| 257 | K | 95.9 | Very high | 96.1 | Very high | 68 Ų | 68 | 32.8 Ų | 32.8 | 30% | 0.296 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 178.1 | -71.2 | 169.5 | -176.2 | 167.4 | 0 | 111.4 | I253 E254 S261 F304 D417 | I253-K257 HydrophobicContact CG2-CD 4.26Å; I253-K257 WeakPolarHBondContact O-CG 3.44Å; I253-K257 PolarHBondContact O-N 3.22Å; E254-K257 PolarHBondContact O-N 3.3Å; E254-K257 IonicContact OE2-NZ 3.84Å; K257-S261 WeakPolarHBondContact O-CB 3.38Å; K257-S261 PolarHBondContact O-N 3.48Å; K257-S261 PolarHBondContact O-OG 3.41Å; K257-F304 HydrophobicContact CG-CE1 4.07Å; K257-F304 HydrophobicContact CG-CZ 4.12Å; K257-D417 IonicContact NZ-OD1 2.85Å |
| 258 | A | 94.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 37 Ų | 37 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M207 E254 Y255 I256 S261 A262 | M207-A258 HydrophobicContact CE-CB 3.8Å; E254-A258 WeakPolarHBondContact O-CB 3.45Å; E254-A258 PolarHBondContact O-N 3.26Å; Y255-A258 PolarHBondContact O-N 2.88Å; I256-A258 VanDerWaalsContact C-N 3.29Å; I256-A258 PolarHBondContact O-N 3.36Å; A258-S261 PolarHBondContact O-N 3.27Å; A258-A262 PolarHBondContact O-N 2.89Å |
| 259 | A | 94.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I214 Y255 I256 S261 A262 G263 L264 F269 | I214-A259 HydrophobicContact CD1-CB 4.36Å; Y255-A259 WeakPolarHBondContact O-CB 3.46Å; Y255-A259 PolarHBondContact O-N 3.16Å; I256-A259 PolarHBondContact O-N 2.92Å; A259-S261 VanDerWaalsContact C-N 3.35Å; A259-A262 PolarHBondContact O-N 2.93Å; A259-G263 PolarHBondContact O-N 3.4Å; A259-L264 HydrophobicContact CB-CD1 4.07Å; A259-L264 WeakPolarHBondContact O-CB 3.33Å; A259-L264 PolarHBondContact O-N 3.25Å; A259-F269 HydrophobicContact CB-CD1 4.15Å; A259-F269 HydrophobicContact CB-CD2 4.1Å; A259-F269 HydrophobicContact CB-CE1 3.71Å; A259-F269 HydrophobicContact CB-CE2 3.66Å; A259-F269 HydrophobicContact CB-CG 4.33Å; A259-F269 HydrophobicContact CB-CZ 3.47Å; A259-F269 VanDerWaalsContact CB-CZ 3.47Å |
| 260 | I | 95.9 | Very high | 95.6 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 33% | 0.333 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.2 | -68.7 | 172 | 0 | 0 | 0 | 110.8 | I256 A262 G263 F269 F304 | I256-I260 HydrophobicContact CG2-CD1 3.63Å; I256-I260 HydrophobicContact CG2-CG1 4.37Å; I256-I260 WeakPolarHBondContact O-CG1 3.49Å; I256-I260 PolarHBondContact O-N 2.63Å; I260-A262 PolarHBondContact O-N 3.29Å; I260-G263 WeakPolarHBondContact O-CA 3.39Å; I260-G263 PolarHBondContact O-N 3.42Å; I260-F269 HydrophobicContact CG1-CE1 4.33Å; I260-F269 HydrophobicContact CG1-CZ 4.42Å; I260-F304 HydrophobicContact CD1-CD1 3.67Å; I260-F304 HydrophobicContact CD1-CE1 4.26Å; I260-F304 HydrophobicContact CD1-CG 4.41Å |
| 261 | S | 91.9 | Very high | 95.6 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 75% | 0.748 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.8 | -26.1 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | K257 A258 A259 G263 | K257-S261 WeakPolarHBondContact O-CB 3.38Å; K257-S261 PolarHBondContact O-N 3.48Å; K257-S261 PolarHBondContact O-OG 3.41Å; A258-S261 PolarHBondContact O-N 3.27Å; A259-S261 VanDerWaalsContact C-N 3.35Å; S261-G263 VanDerWaalsContact C-N 3.26Å |
| 262 | A | 88.8 | Confident | 95.5 | Very high | 57 Ų | 57 | 42 Ų | 42 | 47% | 0.471 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 2.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A211 A258 A259 I260 | A211-A262 HydrophobicContact CB-CB 4Å; A258-A262 PolarHBondContact O-N 2.89Å; A259-A262 PolarHBondContact O-N 2.93Å; I260-A262 PolarHBondContact O-N 3.29Å |
| 263 | G | 91.7 | Very high | 95.5 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 69% | 0.691 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | 7.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | A259 I260 S261 | A259-G263 PolarHBondContact O-N 3.4Å; I260-G263 WeakPolarHBondContact O-CA 3.39Å; I260-G263 PolarHBondContact O-N 3.42Å; S261-G263 VanDerWaalsContact C-N 3.26Å |
| 264 | L | 93.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | trans | -81.7 | 143.3 | 176.7 | -58.4 | 172.3 | 0 | 0 | 0 | 111.2 | I214 A215 A259 F269 | I214-L264 HydrophobicContact CB-CD1 4.27Å; I214-L264 HydrophobicContact CG2-CD1 3.59Å; A215-L264 HydrophobicContact CB-CD1 4.13Å; A215-L264 HydrophobicContact CB-CD2 4.16Å; A215-L264 HydrophobicContact CB-CG 4.49Å; A259-L264 HydrophobicContact CB-CD1 4.07Å; A259-L264 WeakPolarHBondContact O-CB 3.33Å; A259-L264 PolarHBondContact O-N 3.25Å; L264-F269 HydrophobicContact CB-CD1 3.88Å; L264-F269 HydrophobicContact CB-CE1 4.2Å; L264-F269 HydrophobicContact CD1-CD1 4.39Å | ||
| 265 | K | 95.6 | Very high | 95.6 | Very high | 153 Ų | 153 | 40.2 Ų | 40.2 | 67% | 0.665 | 24% | 0.235 | S | C | * | . | trans | -84.3 | 145.7 | 171 | -56.2 | 173.9 | -179.1 | 172.9 | 0 | 109.4 | D267 D268 F269 | K265-D267 VanDerWaalsContact C-N 3.26Å; K265-D267 PolarHBondContact O-N 2.79Å; K265-D267 VanDerWaalsContact O-N 3.15Å; K265-D268 VanDerWaalsContact CB-OD2 3.32Å; K265-D268 WeakPolarHBondContact CB-OD2 3.45Å; K265-D268 PolarHBondContact N-OD2 3Å; K265-D268 WeakPolarHBondContact O-CB 3.33Å; K265-D268 PolarHBondContact O-N 3.48Å; K265-F269 VanDerWaalsContact O-CD1 3.23Å; K265-F269 WeakPolarHBondContact O-CD1 3.23Å | ||
| 266 | I | 96.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -49 | -45.5 | -176.3 | -175.9 | 63.9 | 0 | 0 | 0 | 113.1 | I256 D268 F269 A270 V301 F304 A306 | I256-I266 HydrophobicContact CD1-CD1 4.05Å; I256-I266 HydrophobicContact CG1-CD1 4.11Å; I256-I266 HydrophobicContact CG2-CD1 3.75Å; I266-D268 VanDerWaalsContact C-N 3.28Å; I266-D268 PolarHBondContact O-N 3.38Å; I266-F269 HydrophobicContact CD1-CE1 4.35Å; I266-F269 HydrophobicContact CD1-CE2 4.49Å; I266-F269 HydrophobicContact CD1-CZ 3.89Å; I266-F269 PolarHBondContact O-N 3.38Å; I266-A270 HydrophobicContact CD1-CB 3.81Å; I266-A270 HydrophobicContact CG1-CB 4.09Å; I266-A270 WeakPolarHBondContact O-CB 3.43Å; I266-A270 PolarHBondContact O-N 3.05Å; I266-V301 HydrophobicContact CD1-CG1 4.39Å; I266-V301 HydrophobicContact CG1-CG1 4.34Å; I266-F304 HydrophobicContact CD1-CB 4.36Å; I266-F304 HydrophobicContact CG1-CB 4.29Å; I266-A306 HydrophobicContact CG1-CB 3.97Å; I266-A306 HydrophobicContact CG2-CB 4.05Å |
| 267 | D | 96.9 | Very high | 95.7 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.7 | -12.5 | -178.2 | -65.1 | -44.4 | 0 | 0 | 0 | 114 | K265 F269 P271 Q307 D308 S311 | K265-D267 VanDerWaalsContact C-N 3.26Å; K265-D267 PolarHBondContact O-N 2.79Å; K265-D267 VanDerWaalsContact O-N 3.15Å; D267-F269 VanDerWaalsContact C-N 3.32Å; D267-P271 WeakPolarHBondContact O-CD 3.46Å; D267-Q307 PolarHBondContact OD1-N 3.38Å; D267-Q307 PolarHBondContact OD2-N 3.12Å; D267-D308 HydrophobicContact CB-CB 4.33Å; D267-D308 PolarHBondContact OD1-N 3.21Å; D267-D308 VanDerWaalsContact OD1-N 3.14Å; D267-D308 PolarHBondContact OD2-N 3.09Å; D267-S311 WeakPolarHBondContact OD1-CB 3.4Å; D267-S311 PolarHBondContact OD1-OG 2.88Å |
| 268 | D | 94.3 | Very high | 95.8 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -77.9 | -18.2 | 177.3 | -61.6 | -24.1 | 0 | 0 | 0 | 112.2 | S218 K265 I266 | S218-D268 PolarHBondContact OG-O 2.89Å; K265-D268 VanDerWaalsContact CB-OD2 3.32Å; K265-D268 WeakPolarHBondContact CB-OD2 3.45Å; K265-D268 PolarHBondContact N-OD2 3Å; K265-D268 WeakPolarHBondContact O-CB 3.33Å; K265-D268 PolarHBondContact O-N 3.48Å; I266-D268 VanDerWaalsContact C-N 3.28Å; I266-D268 PolarHBondContact O-N 3.38Å |
| 269 | F | 96 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -135.9 | -31 | -177.3 | 73.7 | -88.2 | 0 | 0 | 0 | 114.9 | I214 I256 A259 I260 L264 K265 I266 D267 P271 R272 L273 | I214-F269 HydrophobicContact CG2-CB 3.48Å; I214-F269 VanDerWaalsContact CG2-CB 3.48Å; I214-F269 HydrophobicContact CG2-CD2 4.09Å; I214-F269 HydrophobicContact CG2-CG 3.88Å; I256-F269 HydrophobicContact CB-CZ 4.39Å; I256-F269 HydrophobicContact CG1-CE2 4.02Å; I256-F269 HydrophobicContact CG1-CZ 4.22Å; I256-F269 HydrophobicContact CG2-CZ 4.27Å; A259-F269 HydrophobicContact CB-CD1 4.15Å; A259-F269 HydrophobicContact CB-CD2 4.1Å; A259-F269 HydrophobicContact CB-CE1 3.71Å; A259-F269 HydrophobicContact CB-CE2 3.66Å; A259-F269 HydrophobicContact CB-CG 4.33Å; A259-F269 HydrophobicContact CB-CZ 3.47Å; A259-F269 VanDerWaalsContact CB-CZ 3.47Å; I260-F269 HydrophobicContact CG1-CE1 4.33Å; I260-F269 HydrophobicContact CG1-CZ 4.42Å; L264-F269 HydrophobicContact CB-CD1 3.88Å; L264-F269 HydrophobicContact CB-CE1 4.2Å; L264-F269 HydrophobicContact CD1-CD1 4.39Å; K265-F269 VanDerWaalsContact O-CD1 3.23Å; K265-F269 WeakPolarHBondContact O-CD1 3.23Å; I266-F269 HydrophobicContact CD1-CE1 4.35Å; I266-F269 HydrophobicContact CD1-CE2 4.49Å; I266-F269 HydrophobicContact CD1-CZ 3.89Å; I266-F269 PolarHBondContact O-N 3.38Å; D267-F269 VanDerWaalsContact C-N 3.32Å; F269-P271 VanDerWaalsContact C-CD 3.4Å; F269-P271 VanDerWaalsContact C-N 3.32Å; F269-R272 WeakPolarHBondContact O-CA 3.24Å; F269-R272 PolarHBondContact O-N 3.25Å; F269-L273 HydrophobicContact CD2-CD1 4.22Å; F269-L273 HydrophobicContact CD2-CD2 4.08Å; F269-L273 HydrophobicContact CD2-CG 4.23Å; F269-L273 HydrophobicContact CE2-CD1 4.01Å; F269-L273 HydrophobicContact CE2-CD2 4.43Å; F269-L273 PolarHBondContact O-N 2.96Å |
| 270 | A | 97.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -53.9 | -38.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | I266 R272 L273 | I266-A270 HydrophobicContact CD1-CB 3.81Å; I266-A270 HydrophobicContact CG1-CB 4.09Å; I266-A270 WeakPolarHBondContact O-CB 3.43Å; I266-A270 PolarHBondContact O-N 3.05Å; A270-R272 PolarHBondContact O-N 3.29Å; A270-L273 HydrophobicContact CB-CD1 4.33Å; A270-L273 WeakPolarHBondContact O-CB 3.17Å; A270-L273 PolarHBondContact O-N 3.09Å |
| 271 | P | 96.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -61.5 | -8.6 | 175.1 | -25.6 | 36.5 | 0 | 0 | 0 | 115.2 | D267 F269 K310 R315 | D267-P271 WeakPolarHBondContact O-CD 3.46Å; F269-P271 VanDerWaalsContact C-CD 3.4Å; F269-P271 VanDerWaalsContact C-N 3.32Å; P271-K310 HydrophobicContact CB-CB 4.07Å; P271-K310 HydrophobicContact CG-CB 4.26Å; P271-R315 VanDerWaalsContact O-CZ 3.22Å; P271-R315 PolarHBondContact O-NH2 3.04Å |
| 272 | R | 96.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 36 Ų | 36 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -110.7 | -2.6 | 176.1 | -64.2 | -56.6 | 177.2 | -142.4 | 3.2 | 114.5 | P222 F224 N225 T226 F269 A270 R315 | P222-R272 PolarHBondContact O-NE 2.57Å; P222-R272 PolarHBondContact O-NH2 3.27Å; F224-R272 WeakPolarHBondContact O-CD 3.38Å; N225-R272 VanDerWaalsContact CA-O 3.27Å; N225-R272 WeakPolarHBondContact CA-O 3.31Å; N225-R272 WeakPolarHBondContact CB-O 3.42Å; T226-R272 PolarHBondContact N-O 3.47Å; F269-R272 WeakPolarHBondContact O-CA 3.24Å; F269-R272 PolarHBondContact O-N 3.25Å; A270-R272 PolarHBondContact O-N 3.29Å; R272-R315 VanDerWaalsContact C-NH2 3.32Å |
| 273 | L | 97.8 | Very high | 97 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 134.6 | 167.2 | -57.1 | 178.2 | 0 | 0 | 0 | 110 | I227 I229 I256 F269 A270 W297 R315 | I227-L273 HydrophobicContact CG2-CD2 3.25Å; I227-L273 HydrophobicContact CG2-CG 4.48Å; I229-L273 HydrophobicContact CD1-CB 4.38Å; I256-L273 HydrophobicContact CD1-CD1 4.24Å; I256-L273 HydrophobicContact CG1-CD1 3.9Å; F269-L273 HydrophobicContact CD2-CD1 4.22Å; F269-L273 HydrophobicContact CD2-CD2 4.08Å; F269-L273 HydrophobicContact CD2-CG 4.23Å; F269-L273 HydrophobicContact CE2-CD1 4.01Å; F269-L273 HydrophobicContact CE2-CD2 4.43Å; F269-L273 PolarHBondContact O-N 2.96Å; A270-L273 HydrophobicContact CB-CD1 4.33Å; A270-L273 WeakPolarHBondContact O-CB 3.17Å; A270-L273 PolarHBondContact O-N 3.09Å; L273-W297 HydrophobicContact CD1-CH2 4.13Å; L273-W297 HydrophobicContact CD1-CZ2 3.91Å; L273-R315 PolarHBondContact O-NH2 2.98Å |
| 274 | S | 97.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 164.3 | 175.1 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | I227 S228 I229 R315 | I227-S274 PolarHBondContact O-N 2.81Å; I227-S274 VanDerWaalsContact O-N 3.16Å; I227-S274 PolarHBondContact O-OG 3.25Å; S228-S274 CarbonylContact C-O 3.52Å; S228-S274 WeakPolarHBondContact CA-O 3.34Å; I229-S274 PolarHBondContact N-O 2.89Å; S274-R315 CarbonylContact C-O 3.42Å; S274-R315 WeakPolarHBondContact CA-O 3.46Å |
| 275 | F | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 162.4 | -174.9 | -73.7 | -98 | 0 | 0 | 0 | 111.6 | I229 T248 L249 F277 W297 L314 R315 T316 H317 | I229-F275 HydrophobicContact CB-CD1 3.84Å; I229-F275 HydrophobicContact CB-CE1 3.82Å; I229-F275 HydrophobicContact CB-CG 4.4Å; I229-F275 HydrophobicContact CB-CZ 4.39Å; I229-F275 HydrophobicContact CD1-CE1 3.9Å; I229-F275 HydrophobicContact CD1-CE2 4.01Å; I229-F275 HydrophobicContact CD1-CZ 3.6Å; I229-F275 HydrophobicContact CG1-CE1 4.48Å; I229-F275 HydrophobicContact CG2-CD1 4.19Å; I229-F275 HydrophobicContact CG2-CE1 3.89Å; I229-F275 CarbonylContact O-C 3.53Å; I229-F275 WeakPolarHBondContact O-CA 3.47Å; T248-F275 HydrophobicContact CG2-CD1 3.79Å; T248-F275 HydrophobicContact CG2-CE1 4.16Å; L249-F275 HydrophobicContact CD2-CD1 4.47Å; L249-F275 HydrophobicContact CD2-CE1 3.74Å; L249-F275 HydrophobicContact CD2-CZ 4.2Å; F275-F277 HydrophobicContact CB-CE2 4.07Å; F275-F277 HydrophobicContact CD1-CE2 4.38Å; F275-F277 HydrophobicContact CD1-CZ 4.39Å; F275-W297 HydrophobicContact CE1-CE3 4.36Å; F275-W297 HydrophobicContact CE1-CZ3 4.5Å; F275-W297 AromaticContact CE2-CD2 3.9Å; F275-W297 HydrophobicContact CE2-CD2 3.9Å; F275-W297 AromaticContact CE2-CE2 3.65Å; F275-W297 HydrophobicContact CE2-CE3 4.37Å; F275-W297 HydrophobicContact CE2-CG 4.33Å; F275-W297 HydrophobicContact CE2-CH2 4.29Å; F275-W297 AromaticContact CE2-CZ2 3.86Å; F275-W297 HydrophobicContact CE2-CZ2 3.86Å; F275-W297 AromaticContact CZ-CD2 3.53Å; F275-W297 HydrophobicContact CZ-CD2 3.53Å; F275-W297 AromaticContact CZ-CE2 3.65Å; F275-W297 AromaticContact CZ-CE3 3.55Å; F275-W297 HydrophobicContact CZ-CE3 3.55Å; F275-W297 HydrophobicContact CZ-CG 4.22Å; F275-W297 AromaticContact CZ-CH2 3.73Å; F275-W297 HydrophobicContact CZ-CH2 3.73Å; F275-W297 AromaticContact CZ-CZ2 3.75Å; F275-W297 HydrophobicContact CZ-CZ2 3.75Å; F275-W297 AromaticContact CZ-CZ3 3.66Å; F275-W297 HydrophobicContact CZ-CZ3 3.66Å; F275-L314 HydrophobicContact CB-CD1 4.48Å; F275-L314 HydrophobicContact CB-CD2 4.2Å; F275-L314 HydrophobicContact CB-CG 4.21Å; F275-L314 HydrophobicContact CD1-CD1 3.9Å; F275-L314 HydrophobicContact CD1-CG 4.38Å; F275-L314 HydrophobicContact CD2-CB 4.39Å; F275-L314 HydrophobicContact CD2-CD1 3.82Å; F275-L314 HydrophobicContact CD2-CD2 4.32Å; F275-L314 HydrophobicContact CD2-CG 3.47Å; F275-L314 VanDerWaalsContact CD2-CG 3.47Å; F275-L314 HydrophobicContact CE1-CD1 4.04Å; F275-L314 HydrophobicContact CE2-CB 4.45Å; F275-L314 HydrophobicContact CE2-CD1 3.93Å; F275-L314 HydrophobicContact CE2-CG 3.85Å; F275-L314 HydrophobicContact CG-CD1 3.78Å; F275-L314 HydrophobicContact CG-CD2 4.27Å; F275-L314 HydrophobicContact CG-CG 3.75Å; F275-L314 HydrophobicContact CZ-CD1 4.04Å; F275-L314 HydrophobicContact CZ-CG 4.46Å; F275-R315 PolarHBondContact N-O 3.39Å; F275-T316 CarbonylContact O-C 3.56Å; F275-T316 VanDerWaalsContact O-CA 3.29Å; F275-T316 WeakPolarHBondContact O-CA 3.41Å; F275-T316 PolarHBondContact O-OG1 3.4Å; F275-H317 PolarHBondContact O-N 2.91Å |
| 276 | F | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 107.7 | 178.4 | 174.4 | -152.1 | 0 | 0 | 0 | 111.9 | S228 I229 S230 G231 Y232 H233 H317 Q319 | S228-F276 WeakPolarHBondContact OG-CB 3.37Å; I229-F276 PolarHBondContact O-N 3.18Å; S230-F276 CarbonylContact C-O 3.57Å; S230-F276 WeakPolarHBondContact CA-O 3.5Å; G231-F276 PolarHBondContact N-O 3.2Å; Y232-F276 AromaticContact CD1-CE1 3.68Å; Y232-F276 HydrophobicContact CD1-CE1 3.68Å; Y232-F276 HydrophobicContact CD1-CE2 4.49Å; Y232-F276 AromaticContact CD1-CZ 3.53Å; Y232-F276 HydrophobicContact CD1-CZ 3.53Å; Y232-F276 HydrophobicContact CD2-CE2 4.18Å; Y232-F276 AromaticContact CD2-CZ 3.91Å; Y232-F276 HydrophobicContact CD2-CZ 3.91Å; Y232-F276 HydrophobicContact CE1-CZ 4.28Å; Y232-F276 AromaticContact CG-CE1 3.76Å; Y232-F276 HydrophobicContact CG-CE1 3.76Å; Y232-F276 AromaticContact CG-CE2 3.85Å; Y232-F276 HydrophobicContact CG-CE2 3.85Å; Y232-F276 AromaticContact CG-CZ 3.3Å; Y232-F276 HydrophobicContact CG-CZ 3.3Å; Y232-F276 PolarHBondContact N-O 3.33Å; Y232-F276 VanDerWaalsContact N-O 3.09Å; H233-F276 AromaticContact CE1-CD1 3.95Å; H233-F276 AromaticContact CE1-CE1 3.72Å; F276-H317 WeakPolarHBondContact CA-O 3.11Å; F276-H317 HydrophobicContact CB-CB 4.48Å; F276-H317 HydrophobicContact CD2-CB 4.15Å; F276-H317 AromaticContact CD2-CD2 3.45Å; F276-H317 VanDerWaalsContact CD2-CD2 3.45Å; F276-H317 WeakPolarHBondContact CD2-CD2 3.48Å; F276-H317 AromaticContact CE2-CD2 3.46Å; F276-H317 VanDerWaalsContact CE2-CD2 3.46Å; F276-H317 WeakPolarHBondContact CE2-CD2 3.25Å; F276-Q319 HydrophobicContact CE2-CB 3.42Å; F276-Q319 VanDerWaalsContact CE2-CB 3.42Å; F276-Q319 HydrophobicContact CZ-CB 3.67Å |
| 277 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 150.2 | 179.1 | -69.7 | -76.3 | 0 | 0 | 0 | 112.6 | T248 F275 M289 L290 A293 L314 T316 H317 C318 Q319 | T248-F277 HydrophobicContact CG2-CE1 4Å; T248-F277 HydrophobicContact CG2-CZ 4.01Å; F275-F277 HydrophobicContact CB-CE2 4.07Å; F275-F277 HydrophobicContact CD1-CE2 4.38Å; F275-F277 HydrophobicContact CD1-CZ 4.39Å; F277-M289 HydrophobicContact CB-CE 4.02Å; F277-M289 HydrophobicContact CD1-CE 4.32Å; F277-M289 HydrophobicContact CG-CE 4.35Å; F277-L290 HydrophobicContact CB-CD2 3.91Å; F277-L290 HydrophobicContact CD2-CD2 3.71Å; F277-L290 HydrophobicContact CG-CD2 3.99Å; F277-A293 HydrophobicContact CE2-CB 3.98Å; F277-A293 HydrophobicContact CZ-CB 3.79Å; F277-L314 HydrophobicContact CE2-CD1 4.37Å; F277-L314 HydrophobicContact CE2-CD2 4.32Å; F277-T316 WeakPolarHBondContact CD2-OG1 3.06Å; F277-H317 PolarHBondContact N-O 3.28Å; F277-H317 VanDerWaalsContact N-O 3.16Å; F277-C318 WeakPolarHBondContact O-CA 3.37Å; F277-Q319 PolarHBondContact O-N 2.79Å; F277-Q319 VanDerWaalsContact O-N 3.15Å |
| 278 | G | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q244 N286 M289 Q319 | Q244-G278 PolarHBondContact OE1-O 3.2Å; G278-N286 PolarHBondContact O-OD1 3.02Å; G278-M289 WeakPolarHBondContact O-CE 3.41Å; G278-Q319 WeakPolarHBondContact CA-O 2.96Å |
| 279 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 108.3 | -174.7 | -53.8 | -64 | 0 | 0 | 0 | 109.6 | N286 M289 L290 C318 Q319 T320 S321 E340 A343 A344 | I279-N286 WeakPolarHBondContact CA-OD1 3.17Å; I279-N286 HydrophobicContact CD1-CB 4.35Å; I279-N286 HydrophobicContact CG2-CB 3.96Å; I279-M289 HydrophobicContact CD1-CE 3.95Å; I279-L290 HydrophobicContact CD1-CD1 3.9Å; I279-L290 HydrophobicContact CD1-CD2 4.31Å; I279-L290 HydrophobicContact CD1-CG 4.2Å; I279-C318 HydrophobicContact CD1-CB 4.41Å; I279-C318 HydrophobicContact CG1-CB 3.8Å; I279-Q319 PolarHBondContact N-O 3.11Å; I279-T320 CarbonylContact O-C 3.45Å; I279-S321 PolarHBondContact O-N 2.91Å; I279-E340 HydrophobicContact CG2-CB 4.14Å; I279-E340 WeakPolarHBondContact CG2-O 3.43Å; I279-E340 WeakPolarHBondContact O-CG 3.36Å; I279-A343 HydrophobicContact CG2-CB 3.66Å; I279-A344 HydrophobicContact CG1-CB 3.92Å; I279-A344 HydrophobicContact CG2-CB 4.38Å |
| 280 | G | 98.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 20.6 Ų | 20.6 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | trans | -96.2 | -173.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D282 N286 | G280-D282 PolarHBondContact O-N 2.9Å; G280-N286 PolarHBondContact N-OD1 2.78Å; G280-N286 PolarHBondContact O-ND2 3.19Å | ||
| 281 | M | 98.4 | Very high | 98.4 | Very high | 80 Ų | 80 | 20.4 Ų | 20.4 | 39% | 0.394 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -69 | -21.2 | -170.6 | -73.7 | -61.1 | -57.8 | 0 | 0 | 116.3 | L283 R336 I339 E340 | M281-L283 PolarHBondContact O-N 3.25Å; M281-R336 HydrophobicContact CE-CB 4.4Å; M281-R336 HydrophobicContact CE-CG 4.14Å; M281-R336 HydrophobicContact SD-CB 3.58Å; M281-R336 VanDerWaalsContact SD-CB 3.58Å; M281-R336 HydrophobicContact SD-CG 3.76Å; M281-I339 HydrophobicContact CE-CB 4.48Å; M281-I339 HydrophobicContact CE-CD1 4.02Å; M281-I339 HydrophobicContact CE-CG2 4.35Å; M281-E340 HydrophobicContact SD-CG 4.12Å |
| 282 | D | 97.5 | Very high | 98.4 | Very high | 67 Ų | 67 | 19.5 Ų | 19.5 | 36% | 0.358 | 10% | 0.097 | S | C | . | . | trans | -76 | 91.4 | 174.5 | -169.8 | -30.2 | 0 | 0 | 0 | 109.9 | G280 F284 M285 N286 | G280-D282 PolarHBondContact O-N 2.9Å; D282-F284 VanDerWaalsContact C-N 3.32Å; D282-F284 PolarHBondContact O-N 3.26Å; D282-F284 PolarHBondContact OD1-N 3.13Å; D282-M285 HydrophobicContact CB-CB 3.83Å; D282-M285 PolarHBondContact O-N 3.26Å; D282-M285 WeakPolarHBondContact OD1-CB 3.26Å; D282-M285 PolarHBondContact OD1-N 3.17Å; D282-N286 WeakPolarHBondContact O-CB 3.5Å; D282-N286 PolarHBondContact O-N 2.82Å; D282-N286 PolarHBondContact O-ND2 3.47Å | ||
| 283 | L | 98.3 | Very high | 98.6 | Very high | 38 Ų | 38 | 15.4 Ų | 15.4 | 20% | 0.199 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -53.6 | -47.7 | -173.2 | -179.3 | 152.3 | 0 | 0 | 0 | 112.3 | M281 V287 I339 L342 A343 L346 | M281-L283 PolarHBondContact O-N 3.25Å; L283-V287 VanDerWaalsContact O-CG2 3.32Å; L283-V287 WeakPolarHBondContact O-CG2 3.35Å; L283-V287 PolarHBondContact O-N 3.06Å; L283-V287 VanDerWaalsContact O-N 3.16Å; L283-I339 HydrophobicContact CB-CG2 4.23Å; L283-I339 HydrophobicContact CD1-CG2 4.12Å; L283-L342 HydrophobicContact CD1-CB 4.37Å; L283-A343 HydrophobicContact CG-CB 4.19Å; L283-L346 HydrophobicContact CD2-CD1 4.42Å |
| 284 | F | 98.6 | Very high | 98.6 | Very high | 91 Ų | 91 | 15.3 Ų | 15.3 | 40% | 0.399 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -79.1 | -35.8 | -173 | -62 | -60.8 | 0 | 0 | 0 | 112.2 | D282 N286 V287 A288 Y397 I398 L401 | D282-F284 VanDerWaalsContact C-N 3.32Å; D282-F284 PolarHBondContact O-N 3.26Å; D282-F284 PolarHBondContact OD1-N 3.13Å; F284-N286 VanDerWaalsContact C-N 3.32Å; F284-N286 PolarHBondContact O-N 3.42Å; F284-V287 PolarHBondContact O-N 3.1Å; F284-A288 WeakPolarHBondContact O-CB 3.19Å; F284-A288 PolarHBondContact O-N 3.33Å; F284-Y397 HydrophobicContact CB-CE1 3.64Å; F284-Y397 AromaticContact CD2-CE1 3.74Å; F284-Y397 HydrophobicContact CD2-CE1 3.74Å; F284-Y397 HydrophobicContact CG-CD1 4.41Å; F284-Y397 AromaticContact CG-CE1 3.73Å; F284-Y397 HydrophobicContact CG-CE1 3.73Å; F284-I398 HydrophobicContact CB-CD1 3.84Å; F284-I398 HydrophobicContact CD1-CD1 3.52Å; F284-I398 HydrophobicContact CE1-CD1 4.41Å; F284-I398 HydrophobicContact CG-CD1 4.01Å; F284-L401 HydrophobicContact CB-CD2 4.34Å |
| 285 | M | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 173 | -170.5 | 67.4 | 67.8 | 0 | 0 | 111.1 | T29 E31 I33 C241 D282 A288 M289 L401 I405 | T29-M285 HydrophobicContact CG2-CE 3.83Å; E31-M285 HydrophobicContact CG-CE 4.22Å; E31-M285 HydrophobicContact CG-CG 4.44Å; E31-M285 HydrophobicContact CG-SD 4Å; E31-M285 WeakPolarHBondContact OE2-CE 3.34Å; I33-M285 HydrophobicContact CD1-CE 4.22Å; I33-M285 HydrophobicContact CD1-SD 4.14Å; C241-M285 HydrophobicContact CB-CG 3.66Å; C241-M285 HydrophobicContact CB-SD 4.4Å; C241-M285 WeakPolarHBondContact SG-CG 3.27Å; D282-M285 HydrophobicContact CB-CB 3.83Å; D282-M285 PolarHBondContact O-N 3.26Å; D282-M285 WeakPolarHBondContact OD1-CB 3.26Å; D282-M285 PolarHBondContact OD1-N 3.17Å; M285-A288 PolarHBondContact O-N 3.01Å; M285-M289 VanDerWaalsContact O-CB 3.31Å; M285-M289 WeakPolarHBondContact O-CB 3.33Å; M285-M289 PolarHBondContact O-N 3.18Å; M285-L401 HydrophobicContact CE-CD1 3.84Å; M285-L401 HydrophobicContact SD-CD1 3.92Å; M285-L401 HydrophobicContact SD-CD2 4.39Å; M285-L401 HydrophobicContact SD-CG 4.34Å; M285-I405 HydrophobicContact SD-CD1 3.68Å; M285-I405 HydrophobicContact SD-CG1 4.11Å |
| 286 | N | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | 178.8 | -78.6 | -86.9 | 0 | 0 | 0 | 113 | G278 I279 G280 D282 F284 M289 L290 A343 | G278-N286 PolarHBondContact O-OD1 3.02Å; I279-N286 WeakPolarHBondContact CA-OD1 3.17Å; I279-N286 HydrophobicContact CD1-CB 4.35Å; I279-N286 HydrophobicContact CG2-CB 3.96Å; G280-N286 PolarHBondContact N-OD1 2.78Å; G280-N286 PolarHBondContact O-ND2 3.19Å; D282-N286 WeakPolarHBondContact O-CB 3.5Å; D282-N286 PolarHBondContact O-N 2.82Å; D282-N286 PolarHBondContact O-ND2 3.47Å; F284-N286 VanDerWaalsContact C-N 3.32Å; F284-N286 PolarHBondContact O-N 3.42Å; N286-M289 WeakPolarHBondContact O-CB 3.4Å; N286-M289 PolarHBondContact O-N 3.34Å; N286-L290 PolarHBondContact O-N 3.45Å; N286-A343 HydrophobicContact CB-CB 3.95Å |
| 287 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -48.6 | 171.7 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | L283 F284 M289 L290 R291 A343 L346 L392 I398 | L283-V287 VanDerWaalsContact O-CG2 3.32Å; L283-V287 WeakPolarHBondContact O-CG2 3.35Å; L283-V287 PolarHBondContact O-N 3.06Å; L283-V287 VanDerWaalsContact O-N 3.16Å; F284-V287 PolarHBondContact O-N 3.1Å; V287-M289 VanDerWaalsContact C-N 3.31Å; V287-M289 PolarHBondContact O-N 3.39Å; V287-L290 PolarHBondContact O-N 3.09Å; V287-R291 WeakPolarHBondContact O-CG 3.34Å; V287-R291 PolarHBondContact O-N 2.61Å; V287-A343 HydrophobicContact CG2-CB 4.41Å; V287-A343 WeakPolarHBondContact CG2-O 3.37Å; V287-L346 HydrophobicContact CG2-CB 3.69Å; V287-L392 HydrophobicContact CB-CD1 4.44Å; V287-L392 HydrophobicContact CG1-CD1 3.8Å; V287-L392 HydrophobicContact CG2-CD1 4.25Å; V287-I398 HydrophobicContact CG1-CG2 4.37Å |
| 288 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F284 M285 L290 R291 A292 L401 I405 | F284-A288 WeakPolarHBondContact O-CB 3.19Å; F284-A288 PolarHBondContact O-N 3.33Å; M285-A288 PolarHBondContact O-N 3.01Å; A288-L290 PolarHBondContact O-N 3.27Å; A288-R291 PolarHBondContact O-N 3.02Å; A288-A292 VanDerWaalsContact O-CB 3.31Å; A288-A292 WeakPolarHBondContact O-CB 3.3Å; A288-A292 PolarHBondContact O-N 2.86Å; A288-L401 HydrophobicContact CB-CB 4.02Å; A288-L401 HydrophobicContact CB-CD2 3.81Å; A288-L401 HydrophobicContact CB-CG 3.6Å; A288-I405 HydrophobicContact CB-CD1 3.6Å |
| 289 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.2 | -51.3 | 176.1 | -173.9 | -171.7 | 63.4 | 0 | 0 | 111.8 | C241 Q244 V245 F277 G278 I279 M285 N286 V287 R291 A292 A293 I405 | C241-M289 HydrophobicContact CB-CB 4.12Å; C241-M289 HydrophobicContact CB-CG 4Å; C241-M289 HydrophobicContact CB-SD 3.72Å; Q244-M289 HydrophobicContact CB-SD 4.12Å; V245-M289 HydrophobicContact CG2-CB 4.47Å; V245-M289 HydrophobicContact CG2-CG 3.33Å; V245-M289 HydrophobicContact CG2-SD 4.36Å; F277-M289 HydrophobicContact CB-CE 4.02Å; F277-M289 HydrophobicContact CD1-CE 4.32Å; F277-M289 HydrophobicContact CG-CE 4.35Å; G278-M289 WeakPolarHBondContact O-CE 3.41Å; I279-M289 HydrophobicContact CD1-CE 3.95Å; M285-M289 VanDerWaalsContact O-CB 3.31Å; M285-M289 WeakPolarHBondContact O-CB 3.33Å; M285-M289 PolarHBondContact O-N 3.18Å; N286-M289 WeakPolarHBondContact O-CB 3.4Å; N286-M289 PolarHBondContact O-N 3.34Å; V287-M289 VanDerWaalsContact C-N 3.31Å; V287-M289 PolarHBondContact O-N 3.39Å; M289-R291 VanDerWaalsContact C-N 3.32Å; M289-R291 PolarHBondContact O-N 2.82Å; M289-A292 PolarHBondContact O-N 3.17Å; M289-A293 WeakPolarHBondContact O-CB 3.45Å; M289-A293 PolarHBondContact O-N 3.22Å; M289-I405 HydrophobicContact CB-CD1 4.35Å |
| 290 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -34.9 | -179.4 | -67.7 | 177.9 | 0 | 0 | 0 | 112.6 | F277 I279 N286 V287 A288 R294 T316 | F277-L290 HydrophobicContact CB-CD2 3.91Å; F277-L290 HydrophobicContact CD2-CD2 3.71Å; F277-L290 HydrophobicContact CG-CD2 3.99Å; I279-L290 HydrophobicContact CD1-CD1 3.9Å; I279-L290 HydrophobicContact CD1-CD2 4.31Å; I279-L290 HydrophobicContact CD1-CG 4.2Å; N286-L290 PolarHBondContact O-N 3.45Å; V287-L290 PolarHBondContact O-N 3.09Å; A288-L290 PolarHBondContact O-N 3.27Å; L290-R294 PolarHBondContact O-N 3.23Å; L290-R294 PolarHBondContact O-NH1 3.06Å; L290-R294 VanDerWaalsContact O-NH1 3.15Å; L290-T316 HydrophobicContact CD2-CG2 4.3Å |
| 291 | R | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.1 | -45.7 | 174.8 | -65.5 | 173.7 | 87.5 | -116 | 4 | 111.3 | V60 V287 A288 M289 R294 Y295 D390 E399 T402 | V60-R291 HydrophobicContact CG1-CB 4.06Å; V287-R291 WeakPolarHBondContact O-CG 3.34Å; V287-R291 PolarHBondContact O-N 2.61Å; A288-R291 PolarHBondContact O-N 3.02Å; M289-R291 VanDerWaalsContact C-N 3.32Å; M289-R291 PolarHBondContact O-N 2.82Å; R291-R294 PolarHBondContact O-N 3.1Å; R291-Y295 PolarHBondContact O-N 2.9Å; R291-D390 IonicContact NE-OD1 3.03Å; R291-D390 IonicContact NE-OD2 2.93Å; R291-D390 IonicContact NH2-OD2 3.1Å; R291-D390 PolarHBondContact NH2-OD2 3.09Å; R291-E399 IonicContact CZ-OE1 2.76Å; R291-E399 IonicContact CZ-OE2 2.91Å; R291-E399 VanDerWaalsContact CZ-OE2 3.29Å; R291-E399 IonicContact NH1-OE1 2.67Å; R291-E399 IonicContact NH1-OE2 2.99Å; R291-E399 PolarHBondContact NH1-OE2 2.86Å; R291-E399 IonicContact NH2-OE1 3.35Å; R291-E399 PolarHBondContact NH2-OE1 3.28Å; R291-E399 IonicContact NH2-OE2 3.38Å; R291-E399 PolarHBondContact NH2-OE2 3.11Å; R291-T402 HydrophobicContact CB-CG2 3.62Å; R291-T402 PolarHBondContact NH1-OG1 2.98Å |
| 292 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A288 M289 R294 Y295 L296 T402 I405 V406 | A288-A292 VanDerWaalsContact O-CB 3.31Å; A288-A292 WeakPolarHBondContact O-CB 3.3Å; A288-A292 PolarHBondContact O-N 2.86Å; M289-A292 PolarHBondContact O-N 3.17Å; A292-R294 VanDerWaalsContact C-N 3.31Å; A292-R294 PolarHBondContact O-N 3.35Å; A292-Y295 WeakPolarHBondContact O-CB 3.14Å; A292-Y295 PolarHBondContact O-N 3.45Å; A292-L296 PolarHBondContact O-N 2.93Å; A292-T402 HydrophobicContact CB-CG2 4.05Å; A292-I405 HydrophobicContact CB-CB 3.94Å; A292-I405 HydrophobicContact CB-CG2 3.62Å; A292-V406 HydrophobicContact CB-CG2 3.7Å |
| 293 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.9 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V245 F277 M289 W297 L314 | V245-A293 HydrophobicContact CG1-CB 4.34Å; V245-A293 HydrophobicContact CG2-CB 4.26Å; F277-A293 HydrophobicContact CE2-CB 3.98Å; F277-A293 HydrophobicContact CZ-CB 3.79Å; M289-A293 WeakPolarHBondContact O-CB 3.45Å; M289-A293 PolarHBondContact O-N 3.22Å; A293-W297 VanDerWaalsContact O-CB 3.28Å; A293-W297 WeakPolarHBondContact O-CB 3.32Å; A293-W297 PolarHBondContact O-N 3.21Å; A293-L314 HydrophobicContact CB-CD1 4.12Å |
| 294 | R | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 177 | -69.6 | -172.5 | -68.3 | -91.8 | 7.8 | 112.3 | P58 Y59 V60 L290 R291 A292 S298 L314 G347 | P58-R294 CarbonylContact O-C 3.15Å; Y59-R294 WeakPolarHBondContact O-CD 3.35Å; Y59-R294 PolarHBondContact O-NE 3.12Å; V60-R294 PolarHBondContact O-NE 2.82Å; V60-R294 VanDerWaalsContact O-NE 3.16Å; V60-R294 PolarHBondContact O-NH2 3.48Å; L290-R294 PolarHBondContact O-N 3.23Å; L290-R294 PolarHBondContact O-NH1 3.06Å; L290-R294 VanDerWaalsContact O-NH1 3.15Å; R291-R294 PolarHBondContact O-N 3.1Å; A292-R294 VanDerWaalsContact C-N 3.31Å; A292-R294 PolarHBondContact O-N 3.35Å; R294-S298 WeakPolarHBondContact O-CB 3.49Å; R294-S298 PolarHBondContact O-N 3.03Å; R294-L314 HydrophobicContact CG-CB 4.1Å; R294-L314 HydrophobicContact CG-CD2 4.03Å; R294-G347 VanDerWaalsContact CZ-O 3.28Å; R294-G347 PolarHBondContact NH1-O 2.67Å; R294-G347 PolarHBondContact NH2-O 3.38Å |
| 295 | Y | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 19.1 Ų | 19.1 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -56.3 | 177.3 | -178.2 | -81.5 | 0 | 0 | 0 | 111 | E48 V49 P58 V60 R291 A292 W297 S298 E299 V406 | E48-Y295 HydrophobicContact CB-CE2 4.42Å; E48-Y295 WeakPolarHBondContact O-CE2 3.44Å; E48-Y295 PolarHBondContact OE2-OH 2.92Å; V49-Y295 HydrophobicContact CG1-CD2 4.05Å; V49-Y295 HydrophobicContact CG1-CE2 4.37Å; V49-Y295 HydrophobicContact CG1-CG 4.33Å; P58-Y295 HydrophobicContact CB-CD2 3.82Å; P58-Y295 HydrophobicContact CB-CE2 4.2Å; P58-Y295 HydrophobicContact CB-CG 4.4Å; P58-Y295 HydrophobicContact CG-CD2 3.55Å; P58-Y295 HydrophobicContact CG-CE2 3.78Å; P58-Y295 WeakPolarHBondContact O-CA 3.41Å; V60-Y295 HydrophobicContact CG2-CD2 3.63Å; V60-Y295 HydrophobicContact CG2-CG 4.27Å; R291-Y295 PolarHBondContact O-N 2.9Å; A292-Y295 WeakPolarHBondContact O-CB 3.14Å; A292-Y295 PolarHBondContact O-N 3.45Å; Y295-W297 PolarHBondContact O-N 3.1Å; Y295-S298 PolarHBondContact O-N 2.77Å; Y295-E299 PolarHBondContact O-N 3.01Å; Y295-V406 HydrophobicContact CD1-CG1 3.92Å; Y295-V406 HydrophobicContact CD1-CG2 4.02Å; Y295-V406 HydrophobicContact CE1-CG1 4Å; Y295-V406 HydrophobicContact CG-CG2 4.29Å |
| 296 | L | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | -176.7 | -74.1 | 171.3 | 0 | 0 | 0 | 112.5 | V245 L249 A292 E299 A300 V406 A409 R410 | V245-L296 HydrophobicContact CG1-CD1 3.77Å; L249-L296 HydrophobicContact CD1-CB 3.34Å; L249-L296 HydrophobicContact CD1-CD1 4.11Å; L249-L296 HydrophobicContact CD1-CG 4.39Å; A292-L296 PolarHBondContact O-N 2.93Å; L296-E299 PolarHBondContact O-N 3.01Å; L296-A300 WeakPolarHBondContact O-CB 3.07Å; L296-A300 PolarHBondContact O-N 2.84Å; L296-V406 HydrophobicContact CD2-CG1 3.93Å; L296-V406 HydrophobicContact CG-CG1 4.29Å; L296-V406 HydrophobicContact CG-CG2 4.35Å; L296-A409 HydrophobicContact CD1-CB 3.74Å; L296-R410 HydrophobicContact CD2-CB 4.26Å |
| 297 | W | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 175.1 | -178.7 | -107.4 | 0 | 0 | 0 | 112.3 | I229 L249 I256 L273 F275 A293 Y295 E299 A300 V301 L314 | I229-W297 HydrophobicContact CD1-CH2 4.42Å; L249-W297 HydrophobicContact CD2-CB 3.98Å; L249-W297 HydrophobicContact CD2-CD2 4.46Å; L249-W297 HydrophobicContact CD2-CE3 3.94Å; I256-W297 HydrophobicContact CD1-CH2 3.37Å; I256-W297 HydrophobicContact CD1-CZ2 3.9Å; I256-W297 HydrophobicContact CD1-CZ3 4.11Å; I256-W297 HydrophobicContact CG1-CH2 4.23Å; L273-W297 HydrophobicContact CD1-CH2 4.13Å; L273-W297 HydrophobicContact CD1-CZ2 3.91Å; F275-W297 HydrophobicContact CE1-CE3 4.36Å; F275-W297 HydrophobicContact CE1-CZ3 4.5Å; F275-W297 AromaticContact CE2-CD2 3.9Å; F275-W297 HydrophobicContact CE2-CD2 3.9Å; F275-W297 AromaticContact CE2-CE2 3.65Å; F275-W297 HydrophobicContact CE2-CE3 4.37Å; F275-W297 HydrophobicContact CE2-CG 4.33Å; F275-W297 HydrophobicContact CE2-CH2 4.29Å; F275-W297 AromaticContact CE2-CZ2 3.86Å; F275-W297 HydrophobicContact CE2-CZ2 3.86Å; F275-W297 AromaticContact CZ-CD2 3.53Å; F275-W297 HydrophobicContact CZ-CD2 3.53Å; F275-W297 AromaticContact CZ-CE2 3.65Å; F275-W297 AromaticContact CZ-CE3 3.55Å; F275-W297 HydrophobicContact CZ-CE3 3.55Å; F275-W297 HydrophobicContact CZ-CG 4.22Å; F275-W297 AromaticContact CZ-CH2 3.73Å; F275-W297 HydrophobicContact CZ-CH2 3.73Å; F275-W297 AromaticContact CZ-CZ2 3.75Å; F275-W297 HydrophobicContact CZ-CZ2 3.75Å; F275-W297 AromaticContact CZ-CZ3 3.66Å; F275-W297 HydrophobicContact CZ-CZ3 3.66Å; A293-W297 VanDerWaalsContact O-CB 3.28Å; A293-W297 WeakPolarHBondContact O-CB 3.32Å; A293-W297 PolarHBondContact O-N 3.21Å; Y295-W297 PolarHBondContact O-N 3.1Å; W297-E299 VanDerWaalsContact C-N 3.27Å; W297-E299 PolarHBondContact O-N 3.09Å; W297-A300 PolarHBondContact O-N 3.45Å; W297-V301 HydrophobicContact CD2-CG2 3.67Å; W297-V301 HydrophobicContact CE3-CG2 4.04Å; W297-V301 HydrophobicContact CG-CG2 4.26Å; W297-V301 HydrophobicContact CH2-CG2 3.88Å; W297-V301 HydrophobicContact CZ2-CG2 3.42Å; W297-V301 VanDerWaalsContact CZ2-CG2 3.42Å; W297-V301 HydrophobicContact CZ3-CG2 4.14Å; W297-V301 WeakPolarHBondContact O-CG2 3.4Å; W297-V301 PolarHBondContact O-N 3.19Å; W297-L314 HydrophobicContact CB-CB 3.98Å; W297-L314 HydrophobicContact CB-CD1 3.74Å; W297-L314 HydrophobicContact CB-CG 4.48Å; W297-L314 HydrophobicContact CG-CB 3.89Å; W297-L314 HydrophobicContact CG-CD1 4.04Å; W297-L314 HydrophobicContact CG-CG 4.46Å |
| 298 | S | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.8 | -173 | 0 | 0 | 0 | 0 | 111.3 | R294 Y295 S302 L312 | R294-S298 WeakPolarHBondContact O-CB 3.49Å; R294-S298 PolarHBondContact O-N 3.03Å; Y295-S298 PolarHBondContact O-N 2.77Å; S298-S302 WeakPolarHBondContact O-CB 3.1Å; S298-S302 PolarHBondContact O-N 3.41Å; S298-S302 PolarHBondContact O-OG 3.1Å; S298-L312 VanDerWaalsContact O-CD2 3.26Å; S298-L312 WeakPolarHBondContact O-CD2 3.42Å |
| 299 | E | 96.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 32.9 Ų | 32.9 | 40% | 0.397 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -52.7 | 173.7 | 179.9 | 178.4 | 82.4 | 0 | 0 | 110.9 | Y295 L296 W297 V301 S302 G303 R410 | Y295-E299 PolarHBondContact O-N 3.01Å; L296-E299 PolarHBondContact O-N 3.01Å; W297-E299 VanDerWaalsContact C-N 3.27Å; W297-E299 PolarHBondContact O-N 3.09Å; E299-V301 PolarHBondContact O-N 2.98Å; E299-S302 WeakPolarHBondContact O-CB 3.48Å; E299-S302 PolarHBondContact O-N 2.65Å; E299-G303 PolarHBondContact O-N 2.91Å; E299-R410 IonicContact OE1-CZ 2.87Å; E299-R410 IonicContact OE1-NE 2.75Å; E299-R410 PolarHBondContact OE1-NE 2.99Å; E299-R410 IonicContact OE1-NH2 2.7Å; E299-R410 PolarHBondContact OE1-NH2 3.39Å; E299-R410 IonicContact OE2-CZ 2.85Å; E299-R410 IonicContact OE2-NE 3.88Å; E299-R410 IonicContact OE2-NH2 3.67Å; E299-R410 PolarHBondContact OE2-NH2 2.95Å |
| 300 | A | 97.1 | Very high | 97.2 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I253 L296 W297 S302 G303 F304 | I253-A300 HydrophobicContact CD1-CB 3.98Å; I253-A300 HydrophobicContact CG1-CB 4.15Å; L296-A300 WeakPolarHBondContact O-CB 3.07Å; L296-A300 PolarHBondContact O-N 2.84Å; W297-A300 PolarHBondContact O-N 3.45Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 2.85Å; A300-G303 PolarHBondContact O-N 3.49Å; A300-G303 VanDerWaalsContact O-N 3.14Å; A300-F304 WeakPolarHBondContact O-CD2 3.4Å |
| 301 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.8 | -31.6 | -178.8 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | I256 I266 W297 E299 G303 F304 A306 L312 | I256-V301 HydrophobicContact CD1-CG2 3.87Å; I266-V301 HydrophobicContact CD1-CG1 4.39Å; I266-V301 HydrophobicContact CG1-CG1 4.34Å; W297-V301 HydrophobicContact CD2-CG2 3.67Å; W297-V301 HydrophobicContact CE3-CG2 4.04Å; W297-V301 HydrophobicContact CG-CG2 4.26Å; W297-V301 HydrophobicContact CH2-CG2 3.88Å; W297-V301 HydrophobicContact CZ2-CG2 3.42Å; W297-V301 VanDerWaalsContact CZ2-CG2 3.42Å; W297-V301 HydrophobicContact CZ3-CG2 4.14Å; W297-V301 WeakPolarHBondContact O-CG2 3.4Å; W297-V301 PolarHBondContact O-N 3.19Å; E299-V301 PolarHBondContact O-N 2.98Å; V301-G303 PolarHBondContact O-N 2.95Å; V301-F304 PolarHBondContact O-N 3.12Å; V301-A306 HydrophobicContact CG1-CB 3.86Å; V301-L312 HydrophobicContact CB-CD2 4.32Å; V301-L312 HydrophobicContact CG1-CD2 4.43Å |
| 302 | S | 96.3 | Very high | 97.1 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.9 | -35.9 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | S298 E299 A300 F304 G305 L312 | S298-S302 WeakPolarHBondContact O-CB 3.1Å; S298-S302 PolarHBondContact O-N 3.41Å; S298-S302 PolarHBondContact O-OG 3.1Å; E299-S302 WeakPolarHBondContact O-CB 3.48Å; E299-S302 PolarHBondContact O-N 2.65Å; A300-S302 VanDerWaalsContact C-N 3.31Å; A300-S302 PolarHBondContact O-N 2.85Å; S302-F304 PolarHBondContact O-N 3.37Å; S302-G305 PolarHBondContact O-N 3.39Å; S302-L312 WeakPolarHBondContact OG-CD2 3.4Å |
| 303 | G | 95.3 | Very high | 97 | Very high | 71 Ų | 71 | 40 Ų | 40 | 73% | 0.732 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E299 A300 V301 | E299-G303 PolarHBondContact O-N 2.91Å; A300-G303 PolarHBondContact O-N 3.49Å; A300-G303 VanDerWaalsContact O-N 3.14Å; V301-G303 PolarHBondContact O-N 2.95Å |
| 304 | F | 96.6 | Very high | 97 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.5 | 175.7 | -67.5 | -83.6 | 0 | 0 | 0 | 113.7 | I253 I256 K257 I260 I266 A300 V301 S302 | I253-F304 HydrophobicContact CG2-CE2 4.42Å; I253-F304 HydrophobicContact CG2-CZ 4.11Å; I256-F304 HydrophobicContact CB-CE2 4.5Å; I256-F304 HydrophobicContact CB-CZ 4.4Å; I256-F304 HydrophobicContact CD1-CE2 4.48Å; I256-F304 HydrophobicContact CG2-CD1 3.67Å; I256-F304 HydrophobicContact CG2-CD2 3.92Å; I256-F304 HydrophobicContact CG2-CE1 3.65Å; I256-F304 HydrophobicContact CG2-CE2 3.9Å; I256-F304 HydrophobicContact CG2-CG 3.8Å; I256-F304 HydrophobicContact CG2-CZ 3.76Å; K257-F304 HydrophobicContact CG-CE1 4.07Å; K257-F304 HydrophobicContact CG-CZ 4.12Å; I260-F304 HydrophobicContact CD1-CD1 3.67Å; I260-F304 HydrophobicContact CD1-CE1 4.26Å; I260-F304 HydrophobicContact CD1-CG 4.41Å; I266-F304 HydrophobicContact CD1-CB 4.36Å; I266-F304 HydrophobicContact CG1-CB 4.29Å; A300-F304 WeakPolarHBondContact O-CD2 3.4Å; V301-F304 PolarHBondContact O-N 3.12Å; S302-F304 PolarHBondContact O-N 3.37Å |
| 305 | G | 95.1 | Very high | 97 | Very high | 42 Ų | 42 | 42 Ų | 42 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 21.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | S302 Q307 | S302-G305 PolarHBondContact O-N 3.39Å; G305-Q307 PolarHBondContact O-N 2.9Å; G305-Q307 PolarHBondContact O-NE2 3.25Å |
| 306 | A | 95.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | trans | -56.1 | 134.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I266 V301 | I266-A306 HydrophobicContact CG1-CB 3.97Å; I266-A306 HydrophobicContact CG2-CB 4.05Å; V301-A306 HydrophobicContact CG1-CB 3.86Å | ||
| 307 | Q | 95 | Very high | 96.9 | Very high | 157 Ų | 157 | 41.6 Ų | 41.6 | 73% | 0.734 | 25% | 0.245 | S | C | * | . | trans | -108.9 | -24.5 | -179.7 | -58 | -59.5 | -56.8 | 0 | 0 | 112.5 | D267 G305 P309 | D267-Q307 PolarHBondContact OD1-N 3.38Å; D267-Q307 PolarHBondContact OD2-N 3.12Å; G305-Q307 PolarHBondContact O-N 2.9Å; G305-Q307 PolarHBondContact O-NE2 3.25Å; Q307-P309 WeakPolarHBondContact O-CD 3.41Å | ||
| 308 | D | 95.2 | Very high | 96.9 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -80.2 | 121 | 173 | -172.7 | -16.4 | 0 | 0 | 0 | 109.5 | D267 K310 S311 | D267-D308 HydrophobicContact CB-CB 4.33Å; D267-D308 PolarHBondContact OD1-N 3.21Å; D267-D308 VanDerWaalsContact OD1-N 3.14Å; D267-D308 PolarHBondContact OD2-N 3.09Å; D308-K310 PolarHBondContact O-N 3.21Å; D308-K310 WeakPolarHBondContact OD1-CB 3.4Å; D308-K310 WeakPolarHBondContact OD1-CG 3.31Å; D308-K310 PolarHBondContact OD1-N 3.38Å; D308-S311 VanDerWaalsContact O-CB 3.29Å; D308-S311 WeakPolarHBondContact O-CB 3.43Å; D308-S311 PolarHBondContact O-N 2.95Å; D308-S311 PolarHBondContact O-OG 2.85Å |
| 309 | P | 95.3 | Very high | 96.9 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -50.7 | -28.6 | 172.6 | -28.2 | 36.3 | 0 | 0 | 0 | 114 | Y59 Q307 S311 L312 A313 | Y59-P309 PolarHBondContact OH-O 3.01Å; Q307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-S311 VanDerWaalsContact C-N 3.27Å; P309-S311 PolarHBondContact O-N 2.84Å; P309-L312 PolarHBondContact O-N 3.35Å; P309-A313 PolarHBondContact O-N 3.01Å |
| 310 | K | 95.6 | Very high | 97 | Very high | 120 Ų | 120 | 37.9 Ų | 37.9 | 52% | 0.522 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.3 | -27.7 | 177.7 | -64.4 | 172.7 | -168.4 | 156.2 | 0 | 113.3 | P271 D308 L312 A313 | P271-K310 HydrophobicContact CB-CB 4.07Å; P271-K310 HydrophobicContact CG-CB 4.26Å; D308-K310 PolarHBondContact O-N 3.21Å; D308-K310 WeakPolarHBondContact OD1-CB 3.4Å; D308-K310 WeakPolarHBondContact OD1-CG 3.31Å; D308-K310 PolarHBondContact OD1-N 3.38Å; K310-L312 VanDerWaalsContact C-N 3.26Å; K310-L312 PolarHBondContact O-N 3.16Å; K310-A313 PolarHBondContact O-N 3.46Å |
| 311 | S | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -32.5 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | D267 D308 P309 | D267-S311 WeakPolarHBondContact OD1-CB 3.4Å; D267-S311 PolarHBondContact OD1-OG 2.88Å; D308-S311 VanDerWaalsContact O-CB 3.29Å; D308-S311 WeakPolarHBondContact O-CB 3.43Å; D308-S311 PolarHBondContact O-N 2.95Å; D308-S311 PolarHBondContact O-OG 2.85Å; P309-S311 VanDerWaalsContact C-N 3.27Å; P309-S311 PolarHBondContact O-N 2.84Å |
| 312 | L | 98.1 | Very high | 97 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -81 | -17.1 | -179.3 | -65.5 | 145.1 | 0 | 0 | 0 | 113.2 | Y59 S298 V301 S302 P309 K310 L314 | Y59-L312 HydrophobicContact CE2-CB 3.72Å; S298-L312 VanDerWaalsContact O-CD2 3.26Å; S298-L312 WeakPolarHBondContact O-CD2 3.42Å; V301-L312 HydrophobicContact CB-CD2 4.32Å; V301-L312 HydrophobicContact CG1-CD2 4.43Å; S302-L312 WeakPolarHBondContact OG-CD2 3.4Å; P309-L312 PolarHBondContact O-N 3.35Å; K310-L312 VanDerWaalsContact C-N 3.26Å; K310-L312 PolarHBondContact O-N 3.16Å; L312-L314 PolarHBondContact O-N 2.84Å |
| 313 | A | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | trans | -84 | 114.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y59 P63 P309 K310 R315 | Y59-A313 HydrophobicContact CD2-CB 4.39Å; Y59-A313 HydrophobicContact CE1-CB 4.26Å; Y59-A313 HydrophobicContact CE2-CB 4.16Å; P63-A313 HydrophobicContact CB-CB 4.12Å; P309-A313 PolarHBondContact O-N 3.01Å; K310-A313 PolarHBondContact O-N 3.46Å; A313-R315 PolarHBondContact O-N 3.04Å | ||
| 314 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -73.1 | 118.5 | 168.7 | -177.6 | 151.4 | 0 | 0 | 0 | 109.9 | L249 F275 F277 A293 R294 W297 L312 T316 | L249-L314 HydrophobicContact CD2-CD1 3.93Å; F275-L314 HydrophobicContact CB-CD1 4.48Å; F275-L314 HydrophobicContact CB-CD2 4.2Å; F275-L314 HydrophobicContact CB-CG 4.21Å; F275-L314 HydrophobicContact CD1-CD1 3.9Å; F275-L314 HydrophobicContact CD1-CG 4.38Å; F275-L314 HydrophobicContact CD2-CB 4.39Å; F275-L314 HydrophobicContact CD2-CD1 3.82Å; F275-L314 HydrophobicContact CD2-CD2 4.32Å; F275-L314 HydrophobicContact CD2-CG 3.47Å; F275-L314 VanDerWaalsContact CD2-CG 3.47Å; F275-L314 HydrophobicContact CE1-CD1 4.04Å; F275-L314 HydrophobicContact CE2-CB 4.45Å; F275-L314 HydrophobicContact CE2-CD1 3.93Å; F275-L314 HydrophobicContact CE2-CG 3.85Å; F275-L314 HydrophobicContact CG-CD1 3.78Å; F275-L314 HydrophobicContact CG-CD2 4.27Å; F275-L314 HydrophobicContact CG-CG 3.75Å; F275-L314 HydrophobicContact CZ-CD1 4.04Å; F275-L314 HydrophobicContact CZ-CG 4.46Å; F277-L314 HydrophobicContact CE2-CD1 4.37Å; F277-L314 HydrophobicContact CE2-CD2 4.32Å; A293-L314 HydrophobicContact CB-CD1 4.12Å; R294-L314 HydrophobicContact CG-CB 4.1Å; R294-L314 HydrophobicContact CG-CD2 4.03Å; W297-L314 HydrophobicContact CB-CB 3.98Å; W297-L314 HydrophobicContact CB-CD1 3.74Å; W297-L314 HydrophobicContact CB-CG 4.48Å; W297-L314 HydrophobicContact CG-CB 3.89Å; W297-L314 HydrophobicContact CG-CD1 4.04Å; W297-L314 HydrophobicContact CG-CG 4.46Å; L312-L314 PolarHBondContact O-N 2.84Å; L314-T316 HydrophobicContact CD2-CG2 4.39Å | ||
| 315 | R | 98 | Very high | 97.2 | Very high | 41 Ų | 41 | 34 Ų | 34 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | trans | -111.7 | 122.2 | 175.9 | -59.7 | 173.3 | -64.1 | 133.9 | 9.9 | 108.4 | N225 P271 R272 L273 S274 F275 A313 | N225-R315 PolarHBondContact OD1-NH1 3.18Å; N225-R315 PolarHBondContact OD1-NH2 2.98Å; N225-R315 VanDerWaalsContact OD1-NH2 3.13Å; P271-R315 VanDerWaalsContact O-CZ 3.22Å; P271-R315 PolarHBondContact O-NH2 3.04Å; R272-R315 VanDerWaalsContact C-NH2 3.32Å; L273-R315 PolarHBondContact O-NH2 2.98Å; S274-R315 CarbonylContact C-O 3.42Å; S274-R315 WeakPolarHBondContact CA-O 3.46Å; F275-R315 PolarHBondContact N-O 3.39Å; A313-R315 PolarHBondContact O-N 3.04Å | ||
| 316 | T | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.7 | -170.6 | -159.7 | 0 | 0 | 0 | 0 | 114.1 | F275 F277 L290 L314 T349 Q350 S351 | F275-T316 CarbonylContact O-C 3.56Å; F275-T316 VanDerWaalsContact O-CA 3.29Å; F275-T316 WeakPolarHBondContact O-CA 3.41Å; F275-T316 PolarHBondContact O-OG1 3.4Å; F277-T316 WeakPolarHBondContact CD2-OG1 3.06Å; L290-T316 HydrophobicContact CD2-CG2 4.3Å; L314-T316 HydrophobicContact CD2-CG2 4.39Å; T316-T349 PolarHBondContact O-OG1 3.5Å; T316-Q350 WeakPolarHBondContact O-CB 3.02Å; T316-Q350 PolarHBondContact O-N 3.43Å; T316-S351 PolarHBondContact O-N 3.28Å |
| 317 | H | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 11% | 0.111 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 154.2 | 152.5 | -175.4 | 58.5 | 0 | 0 | 0 | 109.2 | F275 F276 F277 S351 H353 | F275-H317 PolarHBondContact O-N 2.91Å; F276-H317 WeakPolarHBondContact CA-O 3.11Å; F276-H317 HydrophobicContact CB-CB 4.48Å; F276-H317 HydrophobicContact CD2-CB 4.15Å; F276-H317 AromaticContact CD2-CD2 3.45Å; F276-H317 VanDerWaalsContact CD2-CD2 3.45Å; F276-H317 WeakPolarHBondContact CD2-CD2 3.48Å; F276-H317 AromaticContact CE2-CD2 3.46Å; F276-H317 VanDerWaalsContact CE2-CD2 3.46Å; F276-H317 WeakPolarHBondContact CE2-CD2 3.25Å; F277-H317 PolarHBondContact N-O 3.28Å; F277-H317 VanDerWaalsContact N-O 3.16Å; H317-S351 CarbonylContact C-O 3.49Å; H317-S351 WeakPolarHBondContact CA-O 3.26Å; H317-S351 PolarHBondContact ND1-O 3.39Å; H317-S351 PolarHBondContact ND1-OG 2.81Å; H317-H353 PolarHBondContact CE1-N 2.74Å |
| 318 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.6 | 168.3 | -70.2 | 0 | 0 | 0 | 0 | 109.2 | F277 I279 A344 T349 S351 L352 H353 | F277-C318 WeakPolarHBondContact O-CA 3.37Å; I279-C318 HydrophobicContact CD1-CB 4.41Å; I279-C318 HydrophobicContact CG1-CB 3.8Å; C318-A344 HydrophobicContact CB-CB 3.97Å; C318-T349 PolarHBondContact SG-OG1 3.07Å; C318-T349 VanDerWaalsContact SG-OG1 3.32Å; C318-S351 PolarHBondContact N-O 2.92Å; C318-L352 HydrophobicContact CB-CD1 3.92Å; C318-L352 CarbonylContact O-C 3.44Å; C318-L352 WeakPolarHBondContact O-CA 3.37Å; C318-L352 WeakPolarHBondContact O-CD1 3.38Å; C318-H353 PolarHBondContact O-N 3.28Å |
| 319 | Q | 98.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.6 | 168.6 | 177.5 | 165.3 | -1 | 0 | 0 | 107.9 | Y232 F276 F277 G278 I279 H353 N355 | Y232-Q319 HydrophobicContact CD2-CB 3.81Å; Y232-Q319 HydrophobicContact CD2-CG 4.13Å; Y232-Q319 HydrophobicContact CE2-CB 3.79Å; Y232-Q319 HydrophobicContact CE2-CG 3.57Å; Y232-Q319 PolarHBondContact OH-NE2 2.64Å; F276-Q319 HydrophobicContact CE2-CB 3.42Å; F276-Q319 VanDerWaalsContact CE2-CB 3.42Å; F276-Q319 HydrophobicContact CZ-CB 3.67Å; F277-Q319 PolarHBondContact O-N 2.79Å; F277-Q319 VanDerWaalsContact O-N 3.15Å; G278-Q319 WeakPolarHBondContact CA-O 2.96Å; I279-Q319 PolarHBondContact N-O 3.11Å; Q319-H353 WeakPolarHBondContact CA-O 3.46Å; Q319-H353 HydrophobicContact CB-CB 3.99Å; Q319-H353 HydrophobicContact CG-CB 3.92Å; Q319-H353 PolarHBondContact NE2-CD2 3.05Å; Q319-N355 PolarHBondContact NE2-OD1 3.37Å |
| 320 | T | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 147.1 | 170.3 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | I279 G322 T337 E340 H353 T354 N355 | I279-T320 CarbonylContact O-C 3.45Å; T320-G322 PolarHBondContact O-N 3.33Å; T320-T337 HydrophobicContact CG2-CG2 3.97Å; T320-E340 WeakPolarHBondContact CB-OE2 3.42Å; T320-E340 HydrophobicContact CG2-CB 3.61Å; T320-H353 PolarHBondContact N-O 3.36Å; T320-T354 HydrophobicContact CG2-CG2 4.09Å; T320-N355 PolarHBondContact O-ND2 3.48Å; T320-N355 PolarHBondContact OG1-N 2.91Å; T320-N355 PolarHBondContact OG1-ND2 2.84Å; T320-N355 PolarHBondContact OG1-OD1 2.83Å |
| 321 | S | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | trans | -66.5 | 130.4 | -174.5 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | E236 I279 S324 N355 | E236-S321 VanDerWaalsContact OE1-CA 3.26Å; E236-S321 WeakPolarHBondContact OE1-CA 3.4Å; E236-S321 WeakPolarHBondContact OE1-CB 3.11Å; E236-S321 PolarHBondContact OE1-OG 2.94Å; I279-S321 PolarHBondContact O-N 2.91Å; S321-S324 PolarHBondContact O-OG 3.4Å; S321-S324 VanDerWaalsContact O-OG 3.05Å; S321-S324 PolarHBondContact OG-N 2.93Å; S321-N355 PolarHBondContact O-ND2 3.27Å | ||
| 322 | G | 95.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 11% | 0.113 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -74.7 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | E236 T320 S324 L325 N355 | E236-G322 PolarHBondContact OE1-N 3.38Å; E236-G322 VanDerWaalsContact OE2-CA 3.3Å; E236-G322 WeakPolarHBondContact OE2-CA 3.39Å; E236-G322 PolarHBondContact OE2-N 3.34Å; T320-G322 PolarHBondContact O-N 3.33Å; G322-S324 VanDerWaalsContact C-N 3.25Å; G322-S324 PolarHBondContact O-N 3.01Å; G322-L325 WeakPolarHBondContact O-CB 3.36Å; G322-L325 PolarHBondContact O-N 2.61Å; G322-L325 VanDerWaalsContact O-N 3.08Å; G322-N355 WeakPolarHBondContact CA-ND2 3.49Å; G322-N355 PolarHBondContact N-ND2 3.15Å |
| 323 | W | 96.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 25 Ų | 25 | 38% | 0.379 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.8 | 177.5 | 176.3 | 78 | 0 | 0 | 0 | 114.4 | E236 L325 E442 I446 R599 | E236-W323 PolarHBondContact OE2-N 3.17Å; W323-L325 PolarHBondContact O-N 3.5Å; W323-E442 HydrophobicContact CH2-CG 3.84Å; W323-E442 HydrophobicContact CZ2-CG 4.33Å; W323-I446 HydrophobicContact CH2-CD1 3.79Å; W323-I446 HydrophobicContact CZ2-CD1 3.59Å; W323-R599 VanDerWaalsContact CD1-CZ 3.5Å; W323-R599 VanDerWaalsContact CE2-CZ 3.4Å |
| 324 | S | 97.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -14.2 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | S321 G322 R336 E340 | S321-S324 PolarHBondContact O-OG 3.4Å; S321-S324 VanDerWaalsContact O-OG 3.05Å; S321-S324 PolarHBondContact OG-N 2.93Å; G322-S324 VanDerWaalsContact C-N 3.25Å; G322-S324 PolarHBondContact O-N 3.01Å; S324-R336 VanDerWaalsContact O-CD 3.23Å; S324-R336 WeakPolarHBondContact O-CD 3.47Å; S324-E340 VanDerWaalsContact CB-OE1 3.26Å; S324-E340 WeakPolarHBondContact CB-OE1 3.39Å; S324-E340 PolarHBondContact OG-OE1 3.18Å |
| 325 | L | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | trans | -87.9 | 142.2 | -176.6 | -53.2 | -169.1 | 0 | 0 | 0 | 111.1 | G322 W323 N333 R336 N355 A356 E359 | G322-L325 WeakPolarHBondContact O-CB 3.36Å; G322-L325 PolarHBondContact O-N 2.61Å; G322-L325 VanDerWaalsContact O-N 3.08Å; W323-L325 PolarHBondContact O-N 3.5Å; L325-N333 WeakPolarHBondContact CA-OD1 3.33Å; L325-N333 HydrophobicContact CB-CB 4.42Å; L325-N333 HydrophobicContact CD1-CB 4.5Å; L325-N333 HydrophobicContact CD2-CB 3.88Å; L325-N333 HydrophobicContact CG-CB 4.48Å; L325-R336 HydrophobicContact CD2-CB 4Å; L325-N355 HydrophobicContact CD1-CB 3.54Å; L325-A356 WeakPolarHBondContact CD1-O 3.41Å; L325-E359 HydrophobicContact CB-CB 4.36Å; L325-E359 HydrophobicContact CD1-CB 3.53Å; L325-E359 HydrophobicContact CD1-CG 4.04Å | ||
| 326 | T | 96.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | trans | -110.3 | 144.6 | -170.5 | 60 | 0 | 0 | 0 | 0 | 111.6 | Q328 N333 R336 I453 V456 | T326-Q328 WeakPolarHBondContact CB-O 3.48Å; T326-Q328 PolarHBondContact OG1-O 3.2Å; T326-N333 PolarHBondContact N-ND2 2.89Å; T326-N333 PolarHBondContact N-OD1 3.09Å; T326-N333 PolarHBondContact O-ND2 3.49Å; T326-N333 PolarHBondContact OG1-OD1 3.07Å; T326-R336 PolarHBondContact OG1-NH1 3.27Å; T326-I453 HydrophobicContact CG2-CG2 3.58Å; T326-V456 HydrophobicContact CG2-CG2 3.52Å | ||
| 327 | E | 94.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -67 | -43.5 | 168.8 | -175.8 | -170.1 | 170.4 | 0 | 0 | 110.2 | A360 L361 P677 P694 | E327-A360 HydrophobicContact CB-CB 4.35Å; E327-L361 HydrophobicContact CG-CD2 3.56Å; E327-L361 HydrophobicContact CG-CG 4.34Å; E327-P677 WeakPolarHBondContact OE1-CG 3.32Å; E327-P694 HydrophobicContact CB-CB 4.13Å; E327-P694 HydrophobicContact CB-CG 4.41Å; E327-P694 WeakPolarHBondContact OE2-CD 3.47Å |
| 328 | Q | 95.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.4 | 140.7 | 179.5 | -58.4 | 79.4 | 12.5 | 0 | 0 | 111.4 | T326 V456 E464 P694 | T326-Q328 WeakPolarHBondContact CB-O 3.48Å; T326-Q328 PolarHBondContact OG1-O 3.2Å; Q328-V456 HydrophobicContact CB-CG2 4.4Å; Q328-E464 WeakPolarHBondContact CB-OE1 3.38Å; Q328-P694 PolarHBondContact NE2-O 3.01Å |
| 329 | D | 95.9 | Very high | 97.5 | Very high | 42 Ų | 42 | 34 Ų | 34 | 23% | 0.225 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 40.7 | 60.1 | -177.6 | -167.8 | 0.8 | 0 | 0 | 0 | 111.8 | Y331 N332 L461 E464 | D329-Y331 PolarHBondContact O-N 3.2Å; D329-Y331 VanDerWaalsContact O-N 3.12Å; D329-N332 WeakPolarHBondContact CB-ND2 3.26Å; D329-N332 VanDerWaalsContact O-CB 3.31Å; D329-N332 WeakPolarHBondContact O-CB 3.46Å; D329-N332 PolarHBondContact O-N 3.1Å; D329-N332 PolarHBondContact O-ND2 2.94Å; D329-N332 PolarHBondContact OD2-ND2 2.98Å; D329-L461 HydrophobicContact CB-CD1 4.03Å; D329-E464 PolarHBondContact N-OE2 3.07Å |
| 330 | P | 95.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 5% | 0.052 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.5 | -162.7 | 27.9 | -36.2 | 0 | 0 | 0 | 112.8 | N332 N333 F357 L361 | P330-N332 PolarHBondContact O-N 3.43Å; P330-N333 WeakPolarHBondContact O-CB 3.41Å; P330-N333 PolarHBondContact O-N 2.71Å; P330-N333 PolarHBondContact O-ND2 2.97Å; P330-F357 HydrophobicContact CB-CD2 4.25Å; P330-L361 HydrophobicContact CB-CD1 4.3Å; P330-L361 HydrophobicContact CG-CD1 4.32Å |
| 331 | Y | 97.2 | Very high | 97.5 | Very high | 125 Ų | 125 | 33.4 Ų | 33.4 | 49% | 0.49 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.6 | 173.1 | -76 | -79.2 | 0 | 0 | 0 | 113.1 | D329 N333 V334 F357 F367 | D329-Y331 PolarHBondContact O-N 3.2Å; D329-Y331 VanDerWaalsContact O-N 3.12Å; Y331-N333 PolarHBondContact O-N 3.2Å; Y331-V334 WeakPolarHBondContact O-CB 3.46Å; Y331-V334 WeakPolarHBondContact O-CG2 3.37Å; Y331-V334 PolarHBondContact O-N 3.31Å; Y331-V334 VanDerWaalsContact O-N 3.09Å; Y331-F357 HydrophobicContact CE1-CE2 4.31Å; Y331-F357 HydrophobicContact CE1-CZ 4.27Å; Y331-F367 HydrophobicContact CE1-CE1 4.47Å |
| 332 | N | 98.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -26.8 | 169.7 | -72.8 | -40.5 | 0 | 0 | 0 | 112.3 | D329 P330 V334 I335 R336 | D329-N332 WeakPolarHBondContact CB-ND2 3.26Å; D329-N332 VanDerWaalsContact O-CB 3.31Å; D329-N332 WeakPolarHBondContact O-CB 3.46Å; D329-N332 PolarHBondContact O-N 3.1Å; D329-N332 PolarHBondContact O-ND2 2.94Å; D329-N332 PolarHBondContact OD2-ND2 2.98Å; P330-N332 PolarHBondContact O-N 3.43Å; N332-V334 PolarHBondContact O-N 3.35Å; N332-I335 WeakPolarHBondContact O-CB 3.39Å; N332-I335 PolarHBondContact O-N 2.52Å; N332-R336 VanDerWaalsContact CB-NH1 3.34Å; N332-R336 PolarHBondContact O-N 3.2Å; N332-R336 VanDerWaalsContact O-N 3.08Å |
| 333 | N | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -27.1 | 177.2 | -62.5 | -30.1 | 0 | 0 | 0 | 112.3 | L325 T326 P330 Y331 I335 R336 T337 F357 | L325-N333 WeakPolarHBondContact CA-OD1 3.33Å; L325-N333 HydrophobicContact CB-CB 4.42Å; L325-N333 HydrophobicContact CD1-CB 4.5Å; L325-N333 HydrophobicContact CD2-CB 3.88Å; L325-N333 HydrophobicContact CG-CB 4.48Å; T326-N333 PolarHBondContact N-ND2 2.89Å; T326-N333 PolarHBondContact N-OD1 3.09Å; T326-N333 PolarHBondContact O-ND2 3.49Å; T326-N333 PolarHBondContact OG1-OD1 3.07Å; P330-N333 WeakPolarHBondContact O-CB 3.41Å; P330-N333 PolarHBondContact O-N 2.71Å; P330-N333 PolarHBondContact O-ND2 2.97Å; Y331-N333 PolarHBondContact O-N 3.2Å; N333-I335 VanDerWaalsContact C-N 3.26Å; N333-I335 PolarHBondContact O-N 3.26Å; N333-R336 PolarHBondContact O-N 3.13Å; N333-R336 PolarHBondContact OD1-NH1 3.34Å; N333-T337 WeakPolarHBondContact O-CB 3.26Å; N333-T337 PolarHBondContact O-N 3.12Å; N333-T337 PolarHBondContact O-OG1 3.31Å; N333-T337 VanDerWaalsContact O-OG1 3.07Å; N333-F357 HydrophobicContact CB-CB 3.96Å; N333-F357 PolarHBondContact ND2-O 3Å |
| 334 | V | 98.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 30.2 Ų | 30.2 | 25% | 0.248 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 172.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | Y331 N332 T338 F357 I371 | Y331-V334 WeakPolarHBondContact O-CB 3.46Å; Y331-V334 WeakPolarHBondContact O-CG2 3.37Å; Y331-V334 PolarHBondContact O-N 3.31Å; Y331-V334 VanDerWaalsContact O-N 3.09Å; N332-V334 PolarHBondContact O-N 3.35Å; V334-T338 WeakPolarHBondContact O-CB 3.48Å; V334-T338 PolarHBondContact O-N 3.13Å; V334-T338 VanDerWaalsContact O-N 3.15Å; V334-T338 PolarHBondContact O-OG1 3.01Å; V334-F357 HydrophobicContact CG2-CB 3.77Å; V334-F357 HydrophobicContact CG2-CD1 4.4Å; V334-F357 HydrophobicContact CG2-CG 4.25Å; V334-I371 HydrophobicContact CG1-CG2 3.99Å; V334-I371 HydrophobicContact CG2-CG2 4.04Å |
| 335 | I | 98.7 | Very high | 97.8 | Very high | 104 Ų | 104 | 29.7 Ų | 29.7 | 53% | 0.533 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -72.8 | -43.5 | 179.4 | -58.4 | 169.2 | 0 | 0 | 0 | 110.2 | N332 N333 T338 I339 | N332-I335 WeakPolarHBondContact O-CB 3.39Å; N332-I335 PolarHBondContact O-N 2.52Å; N333-I335 VanDerWaalsContact C-N 3.26Å; N333-I335 PolarHBondContact O-N 3.26Å; I335-T338 WeakPolarHBondContact O-CB 3.39Å; I335-T338 PolarHBondContact O-N 3.18Å; I335-I339 HydrophobicContact CG2-CD1 4.08Å; I335-I339 WeakPolarHBondContact O-CG1 3.25Å; I335-I339 PolarHBondContact O-N 3.4Å |
| 336 | R | 98.8 | Very high | 97.9 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57 | -56.5 | 177 | -65.4 | -175.3 | -179 | 102.4 | -0.3 | 111.5 | M281 S324 L325 T326 N332 N333 T338 I339 E340 V454 | M281-R336 HydrophobicContact CE-CB 4.4Å; M281-R336 HydrophobicContact CE-CG 4.14Å; M281-R336 HydrophobicContact SD-CB 3.58Å; M281-R336 VanDerWaalsContact SD-CB 3.58Å; M281-R336 HydrophobicContact SD-CG 3.76Å; S324-R336 VanDerWaalsContact O-CD 3.23Å; S324-R336 WeakPolarHBondContact O-CD 3.47Å; L325-R336 HydrophobicContact CD2-CB 4Å; T326-R336 PolarHBondContact OG1-NH1 3.27Å; N332-R336 VanDerWaalsContact CB-NH1 3.34Å; N332-R336 PolarHBondContact O-N 3.2Å; N332-R336 VanDerWaalsContact O-N 3.08Å; N333-R336 PolarHBondContact O-N 3.13Å; N333-R336 PolarHBondContact OD1-NH1 3.34Å; R336-T338 PolarHBondContact O-N 2.72Å; R336-I339 WeakPolarHBondContact O-CB 3.26Å; R336-I339 PolarHBondContact O-N 2.7Å; R336-E340 WeakPolarHBondContact O-CG 3.25Å; R336-E340 PolarHBondContact O-N 2.92Å; R336-V454 PolarHBondContact NH2-O 3.06Å |
| 337 | T | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.1 | -33.6 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | T320 N333 A341 T354 N355 | T320-T337 HydrophobicContact CG2-CG2 3.97Å; N333-T337 WeakPolarHBondContact O-CB 3.26Å; N333-T337 PolarHBondContact O-N 3.12Å; N333-T337 PolarHBondContact O-OG1 3.31Å; N333-T337 VanDerWaalsContact O-OG1 3.07Å; T337-A341 WeakPolarHBondContact O-CB 3.47Å; T337-A341 PolarHBondContact O-N 2.72Å; T337-T354 HydrophobicContact CG2-CG2 3.83Å; T337-N355 WeakPolarHBondContact CG2-O 3.49Å |
| 338 | T | 98.8 | Very high | 98.2 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 28% | 0.282 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 112 | V334 I335 R336 E340 A341 L342 T375 | V334-T338 WeakPolarHBondContact O-CB 3.48Å; V334-T338 PolarHBondContact O-N 3.13Å; V334-T338 VanDerWaalsContact O-N 3.15Å; V334-T338 PolarHBondContact O-OG1 3.01Å; I335-T338 WeakPolarHBondContact O-CB 3.39Å; I335-T338 PolarHBondContact O-N 3.18Å; R336-T338 PolarHBondContact O-N 2.72Å; T338-E340 VanDerWaalsContact C-N 3.34Å; T338-A341 PolarHBondContact O-N 3.01Å; T338-L342 WeakPolarHBondContact O-CG 3.28Å; T338-L342 PolarHBondContact O-N 3.17Å; T338-T375 HydrophobicContact CG2-CG2 4.4Å |
| 339 | I | 98.8 | Very high | 98.3 | Very high | 55 Ų | 55 | 27.3 Ų | 27.3 | 28% | 0.282 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.9 | -68.9 | 167.7 | 0 | 0 | 0 | 110.6 | M281 L283 I335 R336 L342 A343 | M281-I339 HydrophobicContact CE-CB 4.48Å; M281-I339 HydrophobicContact CE-CD1 4.02Å; M281-I339 HydrophobicContact CE-CG2 4.35Å; L283-I339 HydrophobicContact CB-CG2 4.23Å; L283-I339 HydrophobicContact CD1-CG2 4.12Å; I335-I339 HydrophobicContact CG2-CD1 4.08Å; I335-I339 WeakPolarHBondContact O-CG1 3.25Å; I335-I339 PolarHBondContact O-N 3.4Å; R336-I339 WeakPolarHBondContact O-CB 3.26Å; R336-I339 PolarHBondContact O-N 2.7Å; I339-L342 WeakPolarHBondContact O-CB 3.24Å; I339-L342 PolarHBondContact O-N 3.17Å; I339-A343 PolarHBondContact O-N 3.24Å |
| 340 | E | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -41.6 | 177.5 | -66.8 | 170.4 | 153.9 | 0 | 0 | 111.6 | I279 M281 T320 S324 R336 T338 L342 A343 A344 | I279-E340 HydrophobicContact CG2-CB 4.14Å; I279-E340 WeakPolarHBondContact CG2-O 3.43Å; I279-E340 WeakPolarHBondContact O-CG 3.36Å; M281-E340 HydrophobicContact SD-CG 4.12Å; T320-E340 WeakPolarHBondContact CB-OE2 3.42Å; T320-E340 HydrophobicContact CG2-CB 3.61Å; S324-E340 VanDerWaalsContact CB-OE1 3.26Å; S324-E340 WeakPolarHBondContact CB-OE1 3.39Å; S324-E340 PolarHBondContact OG-OE1 3.18Å; R336-E340 WeakPolarHBondContact O-CG 3.25Å; R336-E340 PolarHBondContact O-N 2.92Å; T338-E340 VanDerWaalsContact C-N 3.34Å; E340-L342 VanDerWaalsContact C-N 3.3Å; E340-L342 PolarHBondContact O-N 3.49Å; E340-A343 WeakPolarHBondContact O-CB 3.3Å; E340-A343 PolarHBondContact O-N 3.44Å; E340-A343 VanDerWaalsContact O-N 3.15Å; E340-A344 PolarHBondContact O-N 3.24Å |
| 341 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T337 T338 A344 T345 L352 T354 T375 I379 | T337-A341 WeakPolarHBondContact O-CB 3.47Å; T337-A341 PolarHBondContact O-N 2.72Å; T338-A341 PolarHBondContact O-N 3.01Å; A341-A344 PolarHBondContact O-N 2.89Å; A341-T345 WeakPolarHBondContact O-CB 3.41Å; A341-T345 VanDerWaalsContact O-CG2 3.25Å; A341-T345 WeakPolarHBondContact O-CG2 3.23Å; A341-T345 PolarHBondContact O-N 3.43Å; A341-T345 PolarHBondContact O-OG1 3.05Å; A341-L352 HydrophobicContact CB-CD2 3.96Å; A341-T354 HydrophobicContact CB-CG2 3.84Å; A341-T375 HydrophobicContact CB-CG2 4.17Å; A341-I379 HydrophobicContact CB-CD1 3.59Å |
| 342 | L | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 21.9 Ų | 21.9 | 28% | 0.277 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 172.6 | -72.5 | 171.1 | 0 | 0 | 0 | 111.5 | L283 T338 I339 E340 T345 L346 I379 L385 | L283-L342 HydrophobicContact CD1-CB 4.37Å; T338-L342 WeakPolarHBondContact O-CG 3.28Å; T338-L342 PolarHBondContact O-N 3.17Å; I339-L342 WeakPolarHBondContact O-CB 3.24Å; I339-L342 PolarHBondContact O-N 3.17Å; E340-L342 VanDerWaalsContact C-N 3.3Å; E340-L342 PolarHBondContact O-N 3.49Å; L342-T345 WeakPolarHBondContact CA-OG1 3.35Å; L342-T345 PolarHBondContact O-N 2.65Å; L342-T345 PolarHBondContact O-OG1 3.42Å; L342-T345 VanDerWaalsContact O-OG1 3.09Å; L342-L346 VanDerWaalsContact O-CB 3.22Å; L342-L346 WeakPolarHBondContact O-CB 3.49Å; L342-L346 WeakPolarHBondContact O-CD1 3.37Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.25Å; L342-I379 HydrophobicContact CD2-CD1 4.19Å; L342-I379 HydrophobicContact CD2-CG1 4.2Å; L342-I379 HydrophobicContact CD2-CG2 4.18Å; L342-I379 HydrophobicContact CG-CD1 4.31Å; L342-L385 HydrophobicContact CD2-CD1 4.2Å |
| 343 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I279 L283 N286 V287 I339 E340 T345 G347 | I279-A343 HydrophobicContact CG2-CB 3.66Å; L283-A343 HydrophobicContact CG-CB 4.19Å; N286-A343 HydrophobicContact CB-CB 3.95Å; V287-A343 HydrophobicContact CG2-CB 4.41Å; V287-A343 WeakPolarHBondContact CG2-O 3.37Å; I339-A343 PolarHBondContact O-N 3.24Å; E340-A343 WeakPolarHBondContact O-CB 3.3Å; E340-A343 PolarHBondContact O-N 3.44Å; E340-A343 VanDerWaalsContact O-N 3.15Å; A343-T345 VanDerWaalsContact C-N 3.34Å; A343-T345 PolarHBondContact O-N 3.32Å; A343-G347 PolarHBondContact O-N 2.94Å |
| 344 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I279 C318 E340 A341 G348 T349 L352 | I279-A344 HydrophobicContact CG1-CB 3.92Å; I279-A344 HydrophobicContact CG2-CB 4.38Å; C318-A344 HydrophobicContact CB-CB 3.97Å; E340-A344 PolarHBondContact O-N 3.24Å; A341-A344 PolarHBondContact O-N 2.89Å; A344-G348 PolarHBondContact O-N 3.11Å; A344-T349 HydrophobicContact CB-CG2 4.26Å; A344-T349 WeakPolarHBondContact O-CB 3.27Å; A344-T349 WeakPolarHBondContact O-CG2 3.39Å; A344-T349 PolarHBondContact O-N 3.25Å; A344-T349 VanDerWaalsContact O-N 3.16Å; A344-L352 HydrophobicContact CB-CD1 3.68Å; A344-L352 HydrophobicContact CB-CD2 4.31Å |
| 345 | T | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -76.3 | -45.5 | -178.2 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | Y68 W73 A341 L342 A343 G347 G348 L352 | Y68-T345 VanDerWaalsContact CE2-O 3.26Å; Y68-T345 WeakPolarHBondContact CE2-O 3.41Å; Y68-T345 PolarHBondContact OH-O 2.59Å; W73-T345 HydrophobicContact CD2-CG2 3.77Å; W73-T345 HydrophobicContact CE3-CG2 3.67Å; W73-T345 HydrophobicContact CH2-CG2 3.44Å; W73-T345 VanDerWaalsContact CH2-CG2 3.44Å; W73-T345 HydrophobicContact CZ2-CG2 3.5Å; W73-T345 HydrophobicContact CZ3-CG2 3.52Å; A341-T345 WeakPolarHBondContact O-CB 3.41Å; A341-T345 VanDerWaalsContact O-CG2 3.25Å; A341-T345 WeakPolarHBondContact O-CG2 3.23Å; A341-T345 PolarHBondContact O-N 3.43Å; A341-T345 PolarHBondContact O-OG1 3.05Å; L342-T345 WeakPolarHBondContact CA-OG1 3.35Å; L342-T345 PolarHBondContact O-N 2.65Å; L342-T345 PolarHBondContact O-OG1 3.42Å; L342-T345 VanDerWaalsContact O-OG1 3.09Å; A343-T345 VanDerWaalsContact C-N 3.34Å; A343-T345 PolarHBondContact O-N 3.32Å; T345-G347 PolarHBondContact O-N 3.25Å; T345-G348 PolarHBondContact O-N 3.39Å; T345-L352 HydrophobicContact CG2-CD2 4.13Å |
| 346 | L | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 14 Ų | 14 | 16% | 0.157 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -32.3 | 172.5 | -70.1 | 169.3 | 0 | 0 | 0 | 112.3 | L283 V287 L342 G348 L385 P391 L392 | L283-L346 HydrophobicContact CD2-CD1 4.42Å; V287-L346 HydrophobicContact CG2-CB 3.69Å; L342-L346 VanDerWaalsContact O-CB 3.22Å; L342-L346 WeakPolarHBondContact O-CB 3.49Å; L342-L346 WeakPolarHBondContact O-CD1 3.37Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.25Å; L346-G348 VanDerWaalsContact C-N 3.28Å; L346-G348 PolarHBondContact O-N 2.94Å; L346-L385 HydrophobicContact CD2-CD1 3.76Å; L346-L385 HydrophobicContact CD2-CG 4.29Å; L346-L385 HydrophobicContact CG-CD1 3.93Å; L346-P391 HydrophobicContact CD2-CG 3.72Å; L346-L392 HydrophobicContact CB-CD1 4.21Å; L346-L392 HydrophobicContact CD1-CD1 4.3Å; L346-L392 HydrophobicContact CD2-CG 4.45Å |
| 347 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R294 A343 T345 | R294-G347 VanDerWaalsContact CZ-O 3.28Å; R294-G347 PolarHBondContact NH1-O 2.67Å; R294-G347 PolarHBondContact NH2-O 3.38Å; A343-G347 PolarHBondContact O-N 2.94Å; T345-G347 PolarHBondContact O-N 3.25Å |
| 348 | G | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 7% | 0.072 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 37.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | M67 Y68 A344 T345 L346 Q350 | M67-G348 WeakPolarHBondContact CE-O 3.38Å; Y68-G348 VanDerWaalsContact OH-CA 3.28Å; Y68-G348 WeakPolarHBondContact OH-CA 3.41Å; A344-G348 PolarHBondContact O-N 3.11Å; T345-G348 PolarHBondContact O-N 3.39Å; L346-G348 VanDerWaalsContact C-N 3.28Å; L346-G348 PolarHBondContact O-N 2.94Å; G348-Q350 PolarHBondContact O-NE2 3.18Å |
| 349 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -60.7 | 154.2 | 173.6 | -169.3 | 0 | 0 | 0 | 0 | 114.5 | Y68 W73 T316 C318 A344 S351 L352 | Y68-T349 VanDerWaalsContact CE1-O 3.27Å; Y68-T349 WeakPolarHBondContact CE1-O 3.33Å; Y68-T349 PolarHBondContact OH-N 3.29Å; Y68-T349 PolarHBondContact OH-O 2.87Å; W73-T349 HydrophobicContact CB-CG2 4.37Å; W73-T349 HydrophobicContact CG-CG2 4.45Å; T316-T349 PolarHBondContact O-OG1 3.5Å; C318-T349 PolarHBondContact SG-OG1 3.07Å; C318-T349 VanDerWaalsContact SG-OG1 3.32Å; A344-T349 HydrophobicContact CB-CG2 4.26Å; A344-T349 WeakPolarHBondContact O-CB 3.27Å; A344-T349 WeakPolarHBondContact O-CG2 3.39Å; A344-T349 PolarHBondContact O-N 3.25Å; A344-T349 VanDerWaalsContact O-N 3.16Å; T349-S351 PolarHBondContact OG1-O 3.12Å; T349-L352 HydrophobicContact CG2-CB 4.3Å | ||
| 350 | Q | 97.4 | Very high | 97.3 | Very high | 47 Ų | 47 | 12.1 Ų | 12.1 | 22% | 0.22 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -95.6 | -23 | 176.9 | -75.8 | 62 | 68.3 | 0 | 0 | 112.8 | P63 T74 T316 G348 | P63-Q350 HydrophobicContact CG-CG 4.44Å; P63-Q350 VanDerWaalsContact CG-NE2 3.34Å; T74-Q350 PolarHBondContact N-O 2.73Å; T316-Q350 WeakPolarHBondContact O-CB 3.02Å; T316-Q350 PolarHBondContact O-N 3.43Å; G348-Q350 PolarHBondContact O-NE2 3.18Å |
| 351 | S | 97.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 12.9 Ų | 12.9 | 10% | 0.098 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 152.7 | 171.9 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | T74 T316 H317 C318 T349 | T74-S351 WeakPolarHBondContact O-CA 3.48Å; T74-S351 WeakPolarHBondContact O-CB 3.37Å; T316-S351 PolarHBondContact O-N 3.28Å; H317-S351 CarbonylContact C-O 3.49Å; H317-S351 WeakPolarHBondContact CA-O 3.26Å; H317-S351 PolarHBondContact ND1-O 3.39Å; H317-S351 PolarHBondContact ND1-OG 2.81Å; C318-S351 PolarHBondContact N-O 2.92Å; T349-S351 PolarHBondContact OG1-O 3.12Å |
| 352 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.1 | -173 | 178 | 63.3 | 0 | 0 | 0 | 111.3 | T74 R76 C318 A341 A344 T345 T349 T354 Q376 | T74-L352 PolarHBondContact O-N 3.09Å; T74-L352 VanDerWaalsContact O-N 3.09Å; R76-L352 CarbonylContact C-O 3.37Å; R76-L352 PolarHBondContact N-O 3.26Å; R76-L352 VanDerWaalsContact N-O 3.08Å; C318-L352 HydrophobicContact CB-CD1 3.92Å; C318-L352 CarbonylContact O-C 3.44Å; C318-L352 WeakPolarHBondContact O-CA 3.37Å; C318-L352 WeakPolarHBondContact O-CD1 3.38Å; A341-L352 HydrophobicContact CB-CD2 3.96Å; A344-L352 HydrophobicContact CB-CD1 3.68Å; A344-L352 HydrophobicContact CB-CD2 4.31Å; T345-L352 HydrophobicContact CG2-CD2 4.13Å; T349-L352 HydrophobicContact CG2-CB 4.3Å; L352-T354 HydrophobicContact CD2-CG2 4.19Å; L352-T354 HydrophobicContact CG-CG2 4.3Å; L352-Q376 HydrophobicContact CD2-CG 4.01Å; L352-Q376 HydrophobicContact CG-CG 4.44Å; L352-Q376 PolarHBondContact O-NE2 3.42Å; L352-Q376 PolarHBondContact O-OE1 3.02Å |
| 353 | H | 97.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 13.8 Ų | 13.8 | 5% | 0.046 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.7 | 161.4 | 177.7 | 107.1 | 0 | 0 | 0 | 108.8 | Y78 H317 C318 Q319 T320 N355 | Y78-H353 WeakPolarHBondContact CB-CE1 3.48Å; Y78-H353 WeakPolarHBondContact CB-ND1 3.3Å; Y78-H353 PolarHBondContact N-CE1 2.94Å; Y78-H353 VanDerWaalsContact N-CE1 3.33Å; Y78-H353 PolarHBondContact N-ND1 3.25Å; H317-H353 PolarHBondContact CE1-N 2.74Å; C318-H353 PolarHBondContact O-N 3.28Å; Q319-H353 WeakPolarHBondContact CA-O 3.46Å; Q319-H353 HydrophobicContact CB-CB 3.99Å; Q319-H353 HydrophobicContact CG-CB 3.92Å; Q319-H353 PolarHBondContact NE2-CD2 3.05Å; T320-H353 PolarHBondContact N-O 3.36Å; H353-N355 PolarHBondContact CD2-N 2.74Å; H353-N355 PolarHBondContact CD2-OD1 3.35Å; H353-N355 PolarHBondContact NE2-OD1 3.08Å; H353-N355 VanDerWaalsContact NE2-OD1 3.09Å |
| 354 | T | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -107.8 | 124.6 | 168 | 36.3 | 0 | 0 | 0 | 0 | 108.9 | Q77 T320 T337 A341 L352 A372 T375 Q376 | Q77-T354 PolarHBondContact NE2-O 3.37Å; Q77-T354 PolarHBondContact OE1-OG1 3.41Å; T320-T354 HydrophobicContact CG2-CG2 4.09Å; T337-T354 HydrophobicContact CG2-CG2 3.83Å; A341-T354 HydrophobicContact CB-CG2 3.84Å; L352-T354 HydrophobicContact CD2-CG2 4.19Å; L352-T354 HydrophobicContact CG-CG2 4.3Å; T354-A372 WeakPolarHBondContact O-CB 3.5Å; T354-A372 PolarHBondContact OG1-O 3.47Å; T354-T375 HydrophobicContact CG2-CG2 4.41Å; T354-Q376 HydrophobicContact CG2-CG 3.59Å; T354-Q376 PolarHBondContact OG1-NE2 3.17Å | ||
| 355 | N | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | trans | -68 | 154.7 | 178.8 | -61.6 | -19.1 | 0 | 0 | 0 | 110 | Q319 T320 S321 G322 L325 T337 H353 | Q319-N355 PolarHBondContact NE2-OD1 3.37Å; T320-N355 PolarHBondContact O-ND2 3.48Å; T320-N355 PolarHBondContact OG1-N 2.91Å; T320-N355 PolarHBondContact OG1-ND2 2.84Å; T320-N355 PolarHBondContact OG1-OD1 2.83Å; S321-N355 PolarHBondContact O-ND2 3.27Å; G322-N355 WeakPolarHBondContact CA-ND2 3.49Å; G322-N355 PolarHBondContact N-ND2 3.15Å; L325-N355 HydrophobicContact CD1-CB 3.54Å; T337-N355 WeakPolarHBondContact CG2-O 3.49Å; H353-N355 PolarHBondContact CD2-N 2.74Å; H353-N355 PolarHBondContact CD2-OD1 3.35Å; H353-N355 PolarHBondContact NE2-OD1 3.08Å; H353-N355 VanDerWaalsContact NE2-OD1 3.09Å | ||
| 356 | A | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | trans | -80 | 157.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L325 D358 E359 P364 A372 | L325-A356 WeakPolarHBondContact CD1-O 3.41Å; A356-D358 WeakPolarHBondContact CB-OD1 3.13Å; A356-D358 PolarHBondContact O-N 3.46Å; A356-E359 WeakPolarHBondContact O-CB 3.42Å; A356-E359 PolarHBondContact O-N 2.95Å; A356-P364 HydrophobicContact CB-CB 3.71Å; A356-P364 HydrophobicContact CB-CG 3.73Å; A356-A372 HydrophobicContact CB-CB 4.47Å | ||
| 357 | F | 96.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.4 | -174.8 | 74.8 | -95.9 | 0 | 0 | 0 | 112.9 | P330 Y331 N333 V334 F367 I371 T467 | P330-F357 HydrophobicContact CB-CD2 4.25Å; Y331-F357 HydrophobicContact CE1-CE2 4.31Å; Y331-F357 HydrophobicContact CE1-CZ 4.27Å; N333-F357 HydrophobicContact CB-CB 3.96Å; N333-F357 PolarHBondContact ND2-O 3Å; V334-F357 HydrophobicContact CG2-CB 3.77Å; V334-F357 HydrophobicContact CG2-CD1 4.4Å; V334-F357 HydrophobicContact CG2-CG 4.25Å; F357-F367 AromaticContact CE1-CD1 3.66Å; F357-F367 HydrophobicContact CE1-CD1 3.66Å; F357-F367 AromaticContact CE1-CE1 3.54Å; F357-F367 HydrophobicContact CE1-CE1 3.54Å; F357-F367 AromaticContact CZ-CD1 3.88Å; F357-F367 HydrophobicContact CZ-CD1 3.88Å; F357-F367 AromaticContact CZ-CE1 3.72Å; F357-F367 HydrophobicContact CZ-CE1 3.72Å; F357-I371 HydrophobicContact CD1-CD1 4.18Å; F357-I371 HydrophobicContact CE1-CD1 4.06Å; F357-T467 HydrophobicContact CE2-CG2 4.08Å |
| 358 | D | 93.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 10.3 | 179.8 | 51.6 | -6.4 | 0 | 0 | 0 | 113.4 | A356 A360 L361 G362 T365 S368 | A356-D358 WeakPolarHBondContact CB-OD1 3.13Å; A356-D358 PolarHBondContact O-N 3.46Å; D358-A360 VanDerWaalsContact C-N 3.29Å; D358-A360 PolarHBondContact O-N 2.73Å; D358-L361 WeakPolarHBondContact O-CB 3.4Å; D358-L361 PolarHBondContact O-N 2.87Å; D358-G362 PolarHBondContact O-N 3.34Å; D358-T365 PolarHBondContact OD2-N 2.83Å; D358-S368 VanDerWaalsContact CG-CB 3.42Å; D358-S368 WeakPolarHBondContact OD1-CB 3.39Å; D358-S368 PolarHBondContact OD1-OG 3.09Å; D358-S368 WeakPolarHBondContact OD2-CB 3.41Å; D358-S368 PolarHBondContact OD2-OG 2.99Å |
| 359 | E | 91.8 | Very high | 94.3 | Very high | 62 Ų | 62 | 23.8 Ų | 23.8 | 29% | 0.29 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -42.2 | -178.1 | -174.9 | 75.9 | -169.6 | 0 | 0 | 113.9 | L325 A356 L361 | L325-E359 HydrophobicContact CB-CB 4.36Å; L325-E359 HydrophobicContact CD1-CB 3.53Å; L325-E359 HydrophobicContact CD1-CG 4.04Å; A356-E359 WeakPolarHBondContact O-CB 3.42Å; A356-E359 PolarHBondContact O-N 2.95Å; E359-L361 PolarHBondContact O-N 2.72Å |
| 360 | A | 90 | Very high | 94.2 | Very high | 13 Ų | 13 | 29 Ų | 29 | 11% | 0.107 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E327 D358 | E327-A360 HydrophobicContact CB-CB 4.35Å; D358-A360 VanDerWaalsContact C-N 3.29Å; D358-A360 PolarHBondContact O-N 2.73Å |
| 361 | L | 89.3 | Confident | 94.2 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -37.2 | -179.9 | -68.3 | 163.1 | 0 | 0 | 0 | 111.8 | E327 P330 D358 E359 T467 V469 | E327-L361 HydrophobicContact CG-CD2 3.56Å; E327-L361 HydrophobicContact CG-CG 4.34Å; P330-L361 HydrophobicContact CB-CD1 4.3Å; P330-L361 HydrophobicContact CG-CD1 4.32Å; D358-L361 WeakPolarHBondContact O-CB 3.4Å; D358-L361 PolarHBondContact O-N 2.87Å; E359-L361 PolarHBondContact O-N 2.72Å; L361-T467 HydrophobicContact CD1-CG2 3.76Å; L361-V469 HydrophobicContact CB-CG2 3.79Å |
| 362 | G | 87.7 | Confident | 94.2 | Very high | 21 Ų | 21 | 27.9 Ų | 27.9 | 22% | 0.216 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 174.3 | -160.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D358 | D358-G362 PolarHBondContact O-N 3.34Š|
| 363 | L | 88.9 | Confident | 94.2 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 27% | 0.267 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -75.2 | 151.5 | 178.6 | -63.6 | -170.7 | 0 | 0 | 0 | 111.9 | F81 T365 L470 I472 | F81-L363 HydrophobicContact CB-CD1 3.55Å; F81-L363 HydrophobicContact CG-CD1 4.46Å; L363-T365 PolarHBondContact O-N 3.36Å; L363-L470 HydrophobicContact CB-CD2 4.11Å; L363-I472 HydrophobicContact CD1-CD1 3.66Å |
| 364 | P | 91.6 | Very high | 94.2 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 133.4 | -176.3 | -25.4 | 33.7 | 0 | 0 | 0 | 114.2 | A356 A369 | A356-P364 HydrophobicContact CB-CB 3.71Å; A356-P364 HydrophobicContact CB-CG 3.73Å; P364-A369 HydrophobicContact CB-CB 4.13Å |
| 365 | T | 91.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 165.8 | 164.3 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | D358 L363 F367 S368 A369 | D358-T365 PolarHBondContact OD2-N 2.83Å; L363-T365 PolarHBondContact O-N 3.36Å; T365-F367 PolarHBondContact O-N 2.69Å; T365-F367 PolarHBondContact OG1-N 3.47Å; T365-S368 PolarHBondContact N-OG 3.5Å; T365-S368 PolarHBondContact O-N 3.07Å; T365-S368 PolarHBondContact O-OG 3.32Å; T365-S368 PolarHBondContact OG1-N 2.99Å; T365-S368 VanDerWaalsContact OG1-N 3.1Å; T365-S368 PolarHBondContact OG1-OG 3.25Å; T365-A369 WeakPolarHBondContact O-CB 3.35Å; T365-A369 PolarHBondContact O-N 3.2Å |
| 366 | D | 91.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.9 | -31.4 | 170.9 | -85.8 | -52.7 | 0 | 0 | 0 | 111.5 | R93 R370 | R93-D366 IonicContact CZ-OD1 2.72Å; R93-D366 IonicContact CZ-OD2 3.7Å; R93-D366 IonicContact NE-OD1 3.57Å; R93-D366 PolarHBondContact NE-OD1 2.89Å; R93-D366 IonicContact NE-OD2 3.55Å; R93-D366 IonicContact NH2-OD1 3.88Å; R93-D366 PolarHBondContact NH2-OD1 2.96Å; R93-D366 IonicContact NH2-OD2 3.78Å; R93-D366 PolarHBondContact NH2-OD2 3.46Å; D366-R370 WeakPolarHBondContact O-CB 3.42Å; D366-R370 PolarHBondContact O-N 3.33Å |
| 367 | F | 94.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 33.4 Ų | 33.4 | 40% | 0.404 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -70 | -51.6 | 177.8 | 172.7 | -105.9 | 0 | 0 | 0 | 112.2 | Y331 F357 T365 R370 I371 | Y331-F367 HydrophobicContact CE1-CE1 4.47Å; F357-F367 AromaticContact CE1-CD1 3.66Å; F357-F367 HydrophobicContact CE1-CD1 3.66Å; F357-F367 AromaticContact CE1-CE1 3.54Å; F357-F367 HydrophobicContact CE1-CE1 3.54Å; F357-F367 AromaticContact CZ-CD1 3.88Å; F357-F367 HydrophobicContact CZ-CD1 3.88Å; F357-F367 AromaticContact CZ-CE1 3.72Å; F357-F367 HydrophobicContact CZ-CE1 3.72Å; T365-F367 PolarHBondContact O-N 2.69Å; T365-F367 PolarHBondContact OG1-N 3.47Å; F367-R370 WeakPolarHBondContact O-CB 3.36Å; F367-R370 PolarHBondContact O-N 3.43Å; F367-I371 HydrophobicContact CD1-CD1 4.34Å; F367-I371 HydrophobicContact CE1-CD1 3.71Å; F367-I371 HydrophobicContact CE2-CD1 4.1Å; F367-I371 HydrophobicContact CZ-CD1 3.57Å; F367-I371 PolarHBondContact O-N 2.93Å |
| 368 | S | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.5 | -38.3 | -177.5 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | D358 T365 R370 I371 A372 | D358-S368 VanDerWaalsContact CG-CB 3.42Å; D358-S368 WeakPolarHBondContact OD1-CB 3.39Å; D358-S368 PolarHBondContact OD1-OG 3.09Å; D358-S368 WeakPolarHBondContact OD2-CB 3.41Å; D358-S368 PolarHBondContact OD2-OG 2.99Å; T365-S368 PolarHBondContact N-OG 3.5Å; T365-S368 PolarHBondContact O-N 3.07Å; T365-S368 PolarHBondContact O-OG 3.32Å; T365-S368 PolarHBondContact OG1-N 2.99Å; T365-S368 VanDerWaalsContact OG1-N 3.1Å; T365-S368 PolarHBondContact OG1-OG 3.25Å; S368-R370 VanDerWaalsContact C-N 3.28Å; S368-R370 PolarHBondContact O-N 3.28Å; S368-I371 PolarHBondContact O-N 3.31Å; S368-I371 VanDerWaalsContact O-N 3.12Å; S368-A372 PolarHBondContact O-N 3.32Å |
| 369 | A | 94.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -35 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F90 P364 T365 R373 | F90-A369 HydrophobicContact CZ-CB 3.95Å; P364-A369 HydrophobicContact CB-CB 4.13Å; T365-A369 WeakPolarHBondContact O-CB 3.35Å; T365-A369 PolarHBondContact O-N 3.2Å; A369-R373 WeakPolarHBondContact O-CB 3.29Å; A369-R373 PolarHBondContact O-N 2.82Å |
| 370 | R | 95.9 | Very high | 94.8 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 42% | 0.419 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.9 | -44.4 | 173.3 | 179.7 | -177.5 | 67.9 | 94.3 | 3.6 | 111.5 | D366 F367 S368 R373 N374 | D366-R370 WeakPolarHBondContact O-CB 3.42Å; D366-R370 PolarHBondContact O-N 3.33Å; F367-R370 WeakPolarHBondContact O-CB 3.36Å; F367-R370 PolarHBondContact O-N 3.43Å; S368-R370 VanDerWaalsContact C-N 3.28Å; S368-R370 PolarHBondContact O-N 3.28Å; R370-R373 PolarHBondContact O-N 2.82Å; R370-N374 VanDerWaalsContact O-CB 3.31Å; R370-N374 WeakPolarHBondContact O-CB 3.27Å; R370-N374 VanDerWaalsContact O-CG 3.31Å; R370-N374 PolarHBondContact O-N 3.12Å |
| 371 | I | 97.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 18% | 0.179 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 176.9 | -67.7 | 173.3 | 0 | 0 | 0 | 109.7 | V334 F357 F367 S368 R373 N374 T375 | V334-I371 HydrophobicContact CG1-CG2 3.99Å; V334-I371 HydrophobicContact CG2-CG2 4.04Å; F357-I371 HydrophobicContact CD1-CD1 4.18Å; F357-I371 HydrophobicContact CE1-CD1 4.06Å; F367-I371 HydrophobicContact CD1-CD1 4.34Å; F367-I371 HydrophobicContact CE1-CD1 3.71Å; F367-I371 HydrophobicContact CE2-CD1 4.1Å; F367-I371 HydrophobicContact CZ-CD1 3.57Å; F367-I371 PolarHBondContact O-N 2.93Å; S368-I371 PolarHBondContact O-N 3.31Å; S368-I371 VanDerWaalsContact O-N 3.12Å; I371-R373 VanDerWaalsContact C-N 3.34Å; I371-R373 PolarHBondContact O-N 3.26Å; I371-N374 PolarHBondContact O-N 3Å; I371-N374 VanDerWaalsContact O-N 3.08Å; I371-T375 PolarHBondContact O-N 3.37Å; I371-T375 PolarHBondContact O-OG1 3.03Å |
| 372 | A | 97.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.5 | -47.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T354 A356 S368 T375 | T354-A372 WeakPolarHBondContact O-CB 3.5Å; T354-A372 PolarHBondContact OG1-O 3.47Å; A356-A372 HydrophobicContact CB-CB 4.47Å; S368-A372 PolarHBondContact O-N 3.32Å; A372-T375 WeakPolarHBondContact O-CB 3.27Å; A372-T375 PolarHBondContact O-N 3.32Å |
| 373 | R | 97.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 6% | 0.064 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.5 | -179.5 | 176.7 | 61.1 | -102.9 | -2.9 | 111.9 | I75 N94 A97 A369 R370 I371 T375 Q376 I377 | I75-R373 HydrophobicContact CG2-CG 4.29Å; N94-R373 PolarHBondContact OD1-NH1 3.03Å; A97-R373 VanDerWaalsContact CB-NH2 3.3Å; A97-R373 PolarHBondContact O-NE 3.48Å; A369-R373 WeakPolarHBondContact O-CB 3.29Å; A369-R373 PolarHBondContact O-N 2.82Å; R370-R373 PolarHBondContact O-N 2.82Å; I371-R373 VanDerWaalsContact C-N 3.34Å; I371-R373 PolarHBondContact O-N 3.26Å; R373-T375 VanDerWaalsContact C-N 3.28Å; R373-T375 PolarHBondContact O-N 3.01Å; R373-Q376 PolarHBondContact O-N 2.74Å; R373-Q376 VanDerWaalsContact O-N 3.14Å; R373-I377 HydrophobicContact CG-CD1 3.98Å; R373-I377 PolarHBondContact O-N 2.6Å |
| 374 | N | 98.1 | Very high | 96.5 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -29 | -178.5 | -79 | 5.7 | 0 | 0 | 0 | 112.7 | R370 I371 Q376 I377 I378 | R370-N374 VanDerWaalsContact O-CB 3.31Å; R370-N374 WeakPolarHBondContact O-CB 3.27Å; R370-N374 VanDerWaalsContact O-CG 3.31Å; R370-N374 PolarHBondContact O-N 3.12Å; I371-N374 PolarHBondContact O-N 3Å; I371-N374 VanDerWaalsContact O-N 3.08Å; N374-Q376 VanDerWaalsContact C-N 3.25Å; N374-Q376 PolarHBondContact O-N 3.03Å; N374-I377 PolarHBondContact O-N 3.13Å; N374-I378 WeakPolarHBondContact O-CB 3.35Å; N374-I378 VanDerWaalsContact O-CG1 3.3Å; N374-I378 WeakPolarHBondContact O-CG1 3.46Å; N374-I378 PolarHBondContact O-N 3.47Å |
| 375 | T | 98.7 | Very high | 96.8 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.3 | -46.8 | 170.4 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | T338 A341 T354 I371 A372 R373 I379 | T338-T375 HydrophobicContact CG2-CG2 4.4Å; A341-T375 HydrophobicContact CB-CG2 4.17Å; T354-T375 HydrophobicContact CG2-CG2 4.41Å; I371-T375 PolarHBondContact O-N 3.37Å; I371-T375 PolarHBondContact O-OG1 3.03Å; A372-T375 WeakPolarHBondContact O-CB 3.27Å; A372-T375 PolarHBondContact O-N 3.32Å; R373-T375 VanDerWaalsContact C-N 3.28Å; R373-T375 PolarHBondContact O-N 3.01Å; T375-I379 HydrophobicContact CG2-CD1 4.23Å; T375-I379 WeakPolarHBondContact O-CD1 3.49Å; T375-I379 VanDerWaalsContact O-CG1 3.24Å; T375-I379 WeakPolarHBondContact O-CG1 3.39Å; T375-I379 PolarHBondContact O-N 2.91Å |
| 376 | Q | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | 178 | -59.9 | -169.7 | 47 | 0 | 0 | 112.7 | W73 I75 L352 T354 R373 N374 I379 Q380 | W73-Q376 HydrophobicContact CZ2-CB 4.27Å; I75-Q376 HydrophobicContact CD1-CB 4.02Å; I75-Q376 HydrophobicContact CG1-CB 4.02Å; L352-Q376 HydrophobicContact CD2-CG 4.01Å; L352-Q376 HydrophobicContact CG-CG 4.44Å; L352-Q376 PolarHBondContact O-NE2 3.42Å; L352-Q376 PolarHBondContact O-OE1 3.02Å; T354-Q376 HydrophobicContact CG2-CG 3.59Å; T354-Q376 PolarHBondContact OG1-NE2 3.17Å; R373-Q376 PolarHBondContact O-N 2.74Å; R373-Q376 VanDerWaalsContact O-N 3.14Å; N374-Q376 VanDerWaalsContact C-N 3.25Å; N374-Q376 PolarHBondContact O-N 3.03Å; Q376-I379 PolarHBondContact O-N 2.75Å; Q376-Q380 WeakPolarHBondContact O-CG 3.4Å; Q376-Q380 PolarHBondContact O-N 3Å |
| 377 | I | 97.3 | Very high | 97.4 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 179.4 | -64.3 | 173.2 | 0 | 0 | 0 | 110.4 | I75 R373 N374 I379 Q380 E381 | I75-I377 HydrophobicContact CD1-CG1 3.64Å; R373-I377 HydrophobicContact CG-CD1 3.98Å; R373-I377 PolarHBondContact O-N 2.6Å; N374-I377 PolarHBondContact O-N 3.13Å; I377-I379 VanDerWaalsContact C-N 3.34Å; I377-I379 PolarHBondContact O-N 2.79Å; I377-Q380 PolarHBondContact O-N 3.41Å; I377-Q380 VanDerWaalsContact O-N 3.1Å; I377-E381 HydrophobicContact CG2-CG 4.01Å; I377-E381 WeakPolarHBondContact O-CB 3.39Å; I377-E381 WeakPolarHBondContact O-CG 3.48Å; I377-E381 PolarHBondContact O-N 2.79Å |
| 378 | I | 98.5 | Very high | 97.5 | Very high | 82 Ų | 82 | 54 Ų | 54 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 177.7 | -69.2 | 167.7 | 0 | 0 | 0 | 110.5 | N374 Q380 E381 E382 S383 | N374-I378 WeakPolarHBondContact O-CB 3.35Å; N374-I378 VanDerWaalsContact O-CG1 3.3Å; N374-I378 WeakPolarHBondContact O-CG1 3.46Å; N374-I378 PolarHBondContact O-N 3.47Å; I378-Q380 VanDerWaalsContact C-N 3.33Å; I378-Q380 PolarHBondContact O-N 3.3Å; I378-E381 PolarHBondContact O-N 2.97Å; I378-E382 HydrophobicContact CG2-CB 4.28Å; I378-E382 WeakPolarHBondContact O-CA 3.38Å; I378-E382 WeakPolarHBondContact O-CB 3.36Å; I378-E382 PolarHBondContact O-N 3.03Å; I378-S383 PolarHBondContact O-N 2.93Å |
| 379 | I | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 175.1 | -60.9 | 165.4 | 0 | 0 | 0 | 110.5 | W73 A341 L342 T375 Q376 I377 S383 L385 | W73-I379 HydrophobicContact CH2-CB 4.03Å; W73-I379 HydrophobicContact CH2-CG2 3.65Å; W73-I379 HydrophobicContact CZ2-CB 4.42Å; W73-I379 HydrophobicContact CZ2-CG2 4.38Å; A341-I379 HydrophobicContact CB-CD1 3.59Å; L342-I379 HydrophobicContact CD2-CD1 4.19Å; L342-I379 HydrophobicContact CD2-CG1 4.2Å; L342-I379 HydrophobicContact CD2-CG2 4.18Å; L342-I379 HydrophobicContact CG-CD1 4.31Å; T375-I379 HydrophobicContact CG2-CD1 4.23Å; T375-I379 WeakPolarHBondContact O-CD1 3.49Å; T375-I379 VanDerWaalsContact O-CG1 3.24Å; T375-I379 WeakPolarHBondContact O-CG1 3.39Å; T375-I379 PolarHBondContact O-N 2.91Å; Q376-I379 PolarHBondContact O-N 2.75Å; I377-I379 VanDerWaalsContact C-N 3.34Å; I377-I379 PolarHBondContact O-N 2.79Å; I379-S383 WeakPolarHBondContact O-CB 3.48Å; I379-S383 PolarHBondContact O-OG 3.44Å; I379-L385 HydrophobicContact CG2-CD1 4.15Å |
| 380 | Q | 97.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -45.9 | 178.8 | -72.5 | -172.1 | 0.1 | 0 | 0 | 113.3 | P72 W73 Q376 I377 I378 | P72-Q380 HydrophobicContact CB-CG 4.07Å; W73-Q380 HydrophobicContact CD2-CG 4.48Å; W73-Q380 HydrophobicContact CE3-CG 4.36Å; W73-Q380 HydrophobicContact CH2-CB 4.33Å; W73-Q380 HydrophobicContact CH2-CG 3.26Å; W73-Q380 HydrophobicContact CZ2-CG 3.43Å; W73-Q380 VanDerWaalsContact CZ2-CG 3.43Å; W73-Q380 HydrophobicContact CZ3-CG 3.78Å; W73-Q380 PolarHBondContact O-NE2 3.5Å; Q376-Q380 WeakPolarHBondContact O-CG 3.4Å; Q376-Q380 PolarHBondContact O-N 3Å; I377-Q380 PolarHBondContact O-N 3.41Å; I377-Q380 VanDerWaalsContact O-N 3.1Å; I378-Q380 VanDerWaalsContact C-N 3.33Å; I378-Q380 PolarHBondContact O-N 3.3Å |
| 381 | E | 97.6 | Very high | 97.9 | Very high | 134 Ų | 134 | 53.2 Ų | 53.2 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -98.7 | -28.7 | -164.4 | -58.6 | -72.5 | 179.7 | 0 | 0 | 113.4 | I377 I378 | I377-E381 HydrophobicContact CG2-CG 4.01Å; I377-E381 WeakPolarHBondContact O-CB 3.39Å; I377-E381 WeakPolarHBondContact O-CG 3.48Å; I377-E381 PolarHBondContact O-N 2.79Å; I378-E381 PolarHBondContact O-N 2.97Å |
| 382 | E | 98.5 | Very high | 97.9 | Very high | 143 Ų | 143 | 53.4 Ų | 53.4 | 67% | 0.668 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -25.1 | -170.5 | -58.4 | -178.5 | -155.5 | 0 | 0 | 114 | I378 E384 | I378-E382 HydrophobicContact CG2-CB 4.28Å; I378-E382 WeakPolarHBondContact O-CA 3.38Å; I378-E382 WeakPolarHBondContact O-CB 3.36Å; I378-E382 PolarHBondContact O-N 3.03Å; E382-E384 PolarHBondContact O-N 2.71Å |
| 383 | S | 97.9 | Very high | 97.9 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -81.5 | -8.4 | -172.8 | 81.8 | 0 | 0 | 0 | 0 | 115.5 | I378 I379 L385 | I378-S383 PolarHBondContact O-N 2.93Å; I379-S383 WeakPolarHBondContact O-CB 3.48Å; I379-S383 PolarHBondContact O-OG 3.44Å; S383-L385 PolarHBondContact O-N 2.93Å; S383-L385 WeakPolarHBondContact OG-CB 3.46Å; S383-L385 PolarHBondContact OG-N 2.85Å |
| 384 | E | 97.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 56 Ų | 56 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | trans | 58.1 | 6.9 | -171.6 | -60.2 | -64.4 | 151.9 | 0 | 0 | 115.2 | E382 C386 R387 | E382-E384 PolarHBondContact O-N 2.71Å; E384-C386 PolarHBondContact O-N 2.68Å; E384-R387 HydrophobicContact CB-CG 4.24Å; E384-R387 WeakPolarHBondContact O-CB 3.36Å; E384-R387 VanDerWaalsContact O-CG 3.28Å; E384-R387 WeakPolarHBondContact O-CG 3.25Å; E384-R387 PolarHBondContact O-N 3.24Å; E384-R387 VanDerWaalsContact O-N 3.11Å; E384-R387 IonicContact OE1-NH2 3.56Å; E384-R387 WeakPolarHBondContact OE2-CD 3.24Å; E384-R387 WeakPolarHBondContact OE2-CG 3.47Å; E384-R387 IonicContact OE2-CZ 3.38Å; E384-R387 IonicContact OE2-NE 3.11Å; E384-R387 PolarHBondContact OE2-NE 3.39Å; E384-R387 IonicContact OE2-NH2 3.8Å | ||
| 385 | L | 97.1 | Very high | 97.9 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -57.8 | -35.7 | -179.5 | -176.8 | 151.6 | 0 | 0 | 0 | 112.5 | Y68 W73 L342 L346 I379 S383 R387 | Y68-L385 HydrophobicContact CD2-CD2 3.94Å; Y68-L385 HydrophobicContact CE2-CD2 4.15Å; W73-L385 HydrophobicContact CZ3-CD2 4.41Å; L342-L385 HydrophobicContact CD2-CD1 4.2Å; L346-L385 HydrophobicContact CD2-CD1 3.76Å; L346-L385 HydrophobicContact CD2-CG 4.29Å; L346-L385 HydrophobicContact CG-CD1 3.93Å; I379-L385 HydrophobicContact CG2-CD1 4.15Å; S383-L385 PolarHBondContact O-N 2.93Å; S383-L385 WeakPolarHBondContact OG-CB 3.46Å; S383-L385 PolarHBondContact OG-N 2.85Å; L385-R387 PolarHBondContact O-N 2.74Å; L385-R387 VanDerWaalsContact O-N 3.13Å |
| 386 | C | 98.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 12% | 0.122 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -71 | -2.6 | -178.5 | -62.8 | 0 | 0 | 0 | 0 | 114.3 | Y68 T69 E384 | Y68-C386 CarbonylContact C-O 3.45Å; T69-C386 VanDerWaalsContact CA-O 3.23Å; T69-C386 WeakPolarHBondContact CA-O 3.06Å; T69-C386 WeakPolarHBondContact CG2-O 3.35Å; T69-C386 PolarHBondContact N-O 3.49Å; E384-C386 PolarHBondContact O-N 2.68Å |
| 387 | R | 97.7 | Very high | 97.8 | Very high | 174 Ų | 174 | 62.1 Ų | 62.1 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -82.1 | -18.6 | -175.8 | -59.7 | -59.2 | -175.1 | -162.9 | -6.8 | 114.8 | T69 E384 L385 | T69-R387 WeakPolarHBondContact CG2-O 3.2Å; E384-R387 HydrophobicContact CB-CG 4.24Å; E384-R387 WeakPolarHBondContact O-CB 3.36Å; E384-R387 VanDerWaalsContact O-CG 3.28Å; E384-R387 WeakPolarHBondContact O-CG 3.25Å; E384-R387 PolarHBondContact O-N 3.24Å; E384-R387 VanDerWaalsContact O-N 3.11Å; E384-R387 IonicContact OE1-NH2 3.56Å; E384-R387 WeakPolarHBondContact OE2-CD 3.24Å; E384-R387 WeakPolarHBondContact OE2-CG 3.47Å; E384-R387 IonicContact OE2-CZ 3.38Å; E384-R387 IonicContact OE2-NE 3.11Å; E384-R387 PolarHBondContact OE2-NE 3.39Å; E384-R387 IonicContact OE2-NH2 3.8Å; L385-R387 PolarHBondContact O-N 2.74Å; L385-R387 VanDerWaalsContact O-N 3.13Å |
| 388 | T | 97.7 | Very high | 97.9 | Very high | 86 Ų | 86 | 59.9 Ų | 59.9 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -134.3 | 137.8 | -176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | P391 | T388-P391 HydrophobicContact CG2-CB 4.38Š|
| 389 | V | 98.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -77.7 | 127.7 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | P54 R61 T66 M67 T69 | P54-V389 HydrophobicContact CB-CG1 3.59Å; P54-V389 HydrophobicContact CG-CG1 3.67Å; R61-V389 PolarHBondContact NH2-O 3.21Å; T66-V389 VanDerWaalsContact O-CG2 3.29Å; T66-V389 WeakPolarHBondContact O-CG2 3.44Å; M67-V389 HydrophobicContact CB-CG1 3.95Å; M67-V389 HydrophobicContact CB-CG2 4.21Å; M67-V389 HydrophobicContact CG-CG1 3.63Å; T69-V389 HydrophobicContact CG2-CG2 3.81Å |
| 390 | D | 98.1 | Very high | 97.9 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 45 | 64.7 | 177.6 | -174 | 34.5 | 0 | 0 | 0 | 111.6 | R61 R291 L392 A393 | R61-D390 WeakPolarHBondContact CA-OD2 3.41Å; R61-D390 HydrophobicContact CB-CB 3.98Å; R61-D390 WeakPolarHBondContact CB-OD2 3.44Å; R61-D390 WeakPolarHBondContact CG-OD2 3.29Å; R61-D390 IonicContact CZ-OD2 3.77Å; R61-D390 IonicContact NE-OD2 3.52Å; R61-D390 PolarHBondContact NE-OD2 3.16Å; R61-D390 PolarHBondContact NH2-O 3.03Å; R291-D390 IonicContact NE-OD1 3.03Å; R291-D390 IonicContact NE-OD2 2.93Å; R291-D390 IonicContact NH2-OD2 3.1Å; R291-D390 PolarHBondContact NH2-OD2 3.09Å; D390-L392 PolarHBondContact O-N 3.05Å; D390-L392 VanDerWaalsContact O-N 3.07Å; D390-A393 VanDerWaalsContact O-CB 3.29Å; D390-A393 WeakPolarHBondContact O-CB 3.42Å; D390-A393 PolarHBondContact O-N 2.72Å; D390-A393 WeakPolarHBondContact OD2-CB 3.37Å |
| 391 | P | 97.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.3 | -169 | 26.9 | -36 | 0 | 0 | 0 | 114 | L346 T388 | L346-P391 HydrophobicContact CD2-CG 3.72Å; T388-P391 HydrophobicContact CG2-CB 4.38Å |
| 392 | L | 97.6 | Very high | 98 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.5 | 176.9 | -62.5 | -177.3 | 0 | 0 | 0 | 113.8 | V287 L346 D390 S395 I398 | V287-L392 HydrophobicContact CB-CD1 4.44Å; V287-L392 HydrophobicContact CG1-CD1 3.8Å; V287-L392 HydrophobicContact CG2-CD1 4.25Å; L346-L392 HydrophobicContact CB-CD1 4.21Å; L346-L392 HydrophobicContact CD1-CD1 4.3Å; L346-L392 HydrophobicContact CD2-CG 4.45Å; D390-L392 PolarHBondContact O-N 3.05Å; D390-L392 VanDerWaalsContact O-N 3.07Å; L392-S395 WeakPolarHBondContact O-CB 3.1Å; L392-S395 PolarHBondContact O-N 2.84Å; L392-S395 VanDerWaalsContact O-N 3.14Å; L392-I398 HydrophobicContact CB-CG1 4.26Å; L392-I398 HydrophobicContact CB-CG2 4.39Å; L392-I398 HydrophobicContact CD1-CD1 4.44Å; L392-I398 HydrophobicContact CD1-CG1 4.33Å |
| 393 | A | 97.6 | Very high | 98 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 139.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D390 S395 E399 | D390-A393 VanDerWaalsContact O-CB 3.29Å; D390-A393 WeakPolarHBondContact O-CB 3.42Å; D390-A393 PolarHBondContact O-N 2.72Å; D390-A393 WeakPolarHBondContact OD2-CB 3.37Å; A393-S395 PolarHBondContact O-N 3.37Å; A393-E399 WeakPolarHBondContact CA-OE1 3.46Å |
| 394 | G | 97.1 | Very high | 98 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -4.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y396 E399 | G394-Y396 PolarHBondContact O-N 2.93Å; G394-E399 PolarHBondContact N-OE1 2.92Å |
| 395 | S | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | trans | -61.7 | 120.4 | 168.1 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | L392 A393 Y397 I398 E399 | L392-S395 WeakPolarHBondContact O-CB 3.1Å; L392-S395 PolarHBondContact O-N 2.84Å; L392-S395 VanDerWaalsContact O-N 3.14Å; A393-S395 PolarHBondContact O-N 3.37Å; S395-Y397 PolarHBondContact O-N 3.22Å; S395-Y397 VanDerWaalsContact O-N 3.09Å; S395-I398 PolarHBondContact O-N 3.3Å; S395-I398 VanDerWaalsContact O-N 3.08Å; S395-E399 WeakPolarHBondContact O-CG 3.42Å; S395-E399 PolarHBondContact O-N 3.26Å | ||
| 396 | Y | 98 | Very high | 98.2 | Very high | 102 Ų | 102 | 36.2 Ų | 36.2 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -51.2 | -38.4 | 179.9 | -48.8 | -39.5 | 0 | 0 | 0 | 112.2 | Y39 T40 E41 L44 G394 S400 | Y39-Y396 WeakPolarHBondContact O-CD2 3.38Å; T40-Y396 VanDerWaalsContact C-CG 3.45Å; T40-Y396 WeakPolarHBondContact O-CB 3.46Å; E41-Y396 HydrophobicContact CB-CE1 4.16Å; L44-Y396 HydrophobicContact CD1-CD1 3.66Å; L44-Y396 HydrophobicContact CD1-CE1 3.89Å; L44-Y396 HydrophobicContact CD2-CD1 4.32Å; L44-Y396 HydrophobicContact CG-CD1 3.83Å; L44-Y396 HydrophobicContact CG-CE1 4.49Å; G394-Y396 PolarHBondContact O-N 2.93Å; Y396-S400 VanDerWaalsContact O-CB 3.27Å; Y396-S400 WeakPolarHBondContact O-CB 3.33Å; Y396-S400 PolarHBondContact O-N 3.41Å; Y396-S400 PolarHBondContact O-OG 3.31Å |
| 397 | Y | 98.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 18% | 0.18 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.8 | -50.1 | 178.2 | 175.4 | -142.4 | 0 | 0 | 0 | 112.4 | I35 Y39 F284 S395 S400 L401 | I35-Y397 HydrophobicContact CD1-CE2 3.91Å; I35-Y397 HydrophobicContact CG2-CE2 3.81Å; Y39-Y397 AromaticContact CD2-CD2 3.72Å; Y39-Y397 HydrophobicContact CD2-CD2 3.72Å; Y39-Y397 HydrophobicContact CD2-CG 4.05Å; Y39-Y397 HydrophobicContact CE1-CD2 4.32Å; Y39-Y397 AromaticContact CE2-CD2 3.34Å; Y39-Y397 HydrophobicContact CE2-CD2 3.34Å; Y39-Y397 AromaticContact CE2-CE2 3.91Å; Y39-Y397 HydrophobicContact CE2-CE2 3.91Å; Y39-Y397 HydrophobicContact CE2-CG 4.11Å; Y39-Y397 HydrophobicContact CG-CD2 4.36Å; Y39-Y397 AromaticContact CZ-CD2 3.69Å; F284-Y397 HydrophobicContact CB-CE1 3.64Å; F284-Y397 AromaticContact CD2-CE1 3.74Å; F284-Y397 HydrophobicContact CD2-CE1 3.74Å; F284-Y397 HydrophobicContact CG-CD1 4.41Å; F284-Y397 AromaticContact CG-CE1 3.73Å; F284-Y397 HydrophobicContact CG-CE1 3.73Å; S395-Y397 PolarHBondContact O-N 3.22Å; S395-Y397 VanDerWaalsContact O-N 3.09Å; Y397-S400 PolarHBondContact O-N 3.35Å; Y397-L401 HydrophobicContact CD2-CB 4.42Å; Y397-L401 HydrophobicContact CE2-CB 4.19Å; Y397-L401 HydrophobicContact CE2-CD2 3.91Å; Y397-L401 HydrophobicContact CE2-CG 4.48Å; Y397-L401 VanDerWaalsContact O-CB 3.25Å; Y397-L401 WeakPolarHBondContact O-CB 3.47Å; Y397-L401 PolarHBondContact O-N 3.47Å |
| 398 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.3 | -39.5 | -173 | -58.9 | -61.9 | 0 | 0 | 0 | 111.8 | F284 V287 L392 S395 L401 T402 | F284-I398 HydrophobicContact CB-CD1 3.84Å; F284-I398 HydrophobicContact CD1-CD1 3.52Å; F284-I398 HydrophobicContact CE1-CD1 4.41Å; F284-I398 HydrophobicContact CG-CD1 4.01Å; V287-I398 HydrophobicContact CG1-CG2 4.37Å; L392-I398 HydrophobicContact CB-CG1 4.26Å; L392-I398 HydrophobicContact CB-CG2 4.39Å; L392-I398 HydrophobicContact CD1-CD1 4.44Å; L392-I398 HydrophobicContact CD1-CG1 4.33Å; S395-I398 PolarHBondContact O-N 3.3Å; S395-I398 VanDerWaalsContact O-N 3.08Å; I398-L401 PolarHBondContact O-N 3.38Å; I398-T402 VanDerWaalsContact O-CB 3.31Å; I398-T402 WeakPolarHBondContact O-CB 3.45Å; I398-T402 PolarHBondContact O-N 3.42Å; I398-T402 PolarHBondContact O-OG1 3.07Å |
| 399 | E | 98.7 | Very high | 98.3 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 176.1 | -58.2 | -60.9 | 177.2 | 0 | 0 | 111 | L44 L47 T50 R291 A393 G394 S395 L401 T402 D403 | L44-E399 HydrophobicContact CD2-CB 3.61Å; L44-E399 HydrophobicContact CD2-CG 3.9Å; L47-E399 HydrophobicContact CD1-CB 3.86Å; T50-E399 HydrophobicContact CG2-CB 4.09Å; T50-E399 HydrophobicContact CG2-CG 4.25Å; R291-E399 IonicContact CZ-OE1 2.76Å; R291-E399 IonicContact CZ-OE2 2.91Å; R291-E399 VanDerWaalsContact CZ-OE2 3.29Å; R291-E399 IonicContact NH1-OE1 2.67Å; R291-E399 IonicContact NH1-OE2 2.99Å; R291-E399 PolarHBondContact NH1-OE2 2.86Å; R291-E399 IonicContact NH2-OE1 3.35Å; R291-E399 PolarHBondContact NH2-OE1 3.28Å; R291-E399 IonicContact NH2-OE2 3.38Å; R291-E399 PolarHBondContact NH2-OE2 3.11Å; A393-E399 WeakPolarHBondContact CA-OE1 3.46Å; G394-E399 PolarHBondContact N-OE1 2.92Å; S395-E399 WeakPolarHBondContact O-CG 3.42Å; S395-E399 PolarHBondContact O-N 3.26Å; E399-L401 VanDerWaalsContact C-N 3.31Å; E399-L401 PolarHBondContact O-N 3.34Å; E399-T402 PolarHBondContact O-N 3.29Å; E399-D403 WeakPolarHBondContact O-CB 3.2Å; E399-D403 PolarHBondContact O-N 3.41Å |
| 400 | S | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 176.2 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | D43 Y396 Y397 Q404 | D43-S400 PolarHBondContact O-OG 3Å; Y396-S400 VanDerWaalsContact O-CB 3.27Å; Y396-S400 WeakPolarHBondContact O-CB 3.33Å; Y396-S400 PolarHBondContact O-N 3.41Å; Y396-S400 PolarHBondContact O-OG 3.31Å; Y397-S400 PolarHBondContact O-N 3.35Å; S400-Q404 VanDerWaalsContact O-CG 3.31Å; S400-Q404 WeakPolarHBondContact O-CG 3.31Å; S400-Q404 PolarHBondContact O-N 3.46Å; S400-Q404 VanDerWaalsContact O-N 3.12Å; S400-Q404 PolarHBondContact O-NE2 3.16Å; S400-Q404 VanDerWaalsContact O-NE2 3.15Å |
| 401 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.6 | -42.8 | 178.4 | -174.2 | 58.4 | 0 | 0 | 0 | 111.1 | I33 I35 F284 M285 A288 Y397 I398 E399 D403 Q404 I405 | I33-L401 HydrophobicContact CD1-CD1 4.02Å; I33-L401 HydrophobicContact CG2-CD1 3.91Å; I35-L401 HydrophobicContact CD1-CD1 3.72Å; F284-L401 HydrophobicContact CB-CD2 4.34Å; M285-L401 HydrophobicContact CE-CD1 3.84Å; M285-L401 HydrophobicContact SD-CD1 3.92Å; M285-L401 HydrophobicContact SD-CD2 4.39Å; M285-L401 HydrophobicContact SD-CG 4.34Å; A288-L401 HydrophobicContact CB-CB 4.02Å; A288-L401 HydrophobicContact CB-CD2 3.81Å; A288-L401 HydrophobicContact CB-CG 3.6Å; Y397-L401 HydrophobicContact CD2-CB 4.42Å; Y397-L401 HydrophobicContact CE2-CB 4.19Å; Y397-L401 HydrophobicContact CE2-CD2 3.91Å; Y397-L401 HydrophobicContact CE2-CG 4.48Å; Y397-L401 VanDerWaalsContact O-CB 3.25Å; Y397-L401 WeakPolarHBondContact O-CB 3.47Å; Y397-L401 PolarHBondContact O-N 3.47Å; I398-L401 PolarHBondContact O-N 3.38Å; E399-L401 VanDerWaalsContact C-N 3.31Å; E399-L401 PolarHBondContact O-N 3.34Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-D403 PolarHBondContact O-N 3.2Å; L401-Q404 PolarHBondContact O-N 2.89Å; L401-I405 HydrophobicContact CG-CD1 4.49Å; L401-I405 WeakPolarHBondContact O-CG1 3.41Å; L401-I405 PolarHBondContact O-N 2.89Å |
| 402 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | V49 R291 A292 I398 E399 Q404 I405 V406 | V49-T402 HydrophobicContact CB-CG2 4.3Å; V49-T402 HydrophobicContact CG1-CG2 4.13Å; V49-T402 HydrophobicContact CG2-CG2 4.27Å; R291-T402 HydrophobicContact CB-CG2 3.62Å; R291-T402 PolarHBondContact NH1-OG1 2.98Å; A292-T402 HydrophobicContact CB-CG2 4.05Å; I398-T402 VanDerWaalsContact O-CB 3.31Å; I398-T402 WeakPolarHBondContact O-CB 3.45Å; I398-T402 PolarHBondContact O-N 3.42Å; I398-T402 PolarHBondContact O-OG1 3.07Å; E399-T402 PolarHBondContact O-N 3.29Å; T402-Q404 PolarHBondContact O-N 3.39Å; T402-I405 PolarHBondContact O-N 3.21Å; T402-V406 WeakPolarHBondContact O-CG2 3.32Å; T402-V406 PolarHBondContact O-N 3.25Å |
| 403 | D | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 178.4 | -171.8 | 86.4 | 0 | 0 | 0 | 112.9 | L47 E48 V49 E399 L401 V406 K407 | L47-D403 HydrophobicContact CB-CB 4.33Å; L47-D403 HydrophobicContact CD1-CB 4.45Å; L47-D403 HydrophobicContact CD2-CB 3.89Å; L47-D403 HydrophobicContact CG-CB 4.45Å; E48-D403 PolarHBondContact N-OD1 2.98Å; V49-D403 HydrophobicContact CG1-CB 4.44Å; V49-D403 HydrophobicContact CG2-CB 3.98Å; E399-D403 WeakPolarHBondContact O-CB 3.2Å; E399-D403 PolarHBondContact O-N 3.41Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-D403 PolarHBondContact O-N 3.2Å; D403-V406 WeakPolarHBondContact O-CB 3.25Å; D403-V406 PolarHBondContact O-N 3.36Å; D403-K407 WeakPolarHBondContact O-CG 3.36Å; D403-K407 PolarHBondContact O-N 2.99Å; D403-K407 WeakPolarHBondContact OD2-CE 3.31Å; D403-K407 IonicContact OD2-NZ 3.75Å; D403-K407 PolarHBondContact OD2-NZ 3.05Å |
| 404 | Q | 98.5 | Very high | 98.4 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 24% | 0.243 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 174.6 | -77 | 177 | 93.7 | 0 | 0 | 112.5 | I33 S400 L401 T402 V406 K407 Q408 | I33-Q404 HydrophobicContact CD1-CB 4.11Å; I33-Q404 HydrophobicContact CG1-CB 4.39Å; I33-Q404 HydrophobicContact CG2-CB 4.45Å; S400-Q404 VanDerWaalsContact O-CG 3.31Å; S400-Q404 WeakPolarHBondContact O-CG 3.31Å; S400-Q404 PolarHBondContact O-N 3.46Å; S400-Q404 VanDerWaalsContact O-N 3.12Å; S400-Q404 PolarHBondContact O-NE2 3.16Å; S400-Q404 VanDerWaalsContact O-NE2 3.15Å; L401-Q404 PolarHBondContact O-N 2.89Å; T402-Q404 PolarHBondContact O-N 3.39Å; Q404-V406 VanDerWaalsContact C-N 3.34Å; Q404-K407 PolarHBondContact O-N 3.26Å; Q404-Q408 WeakPolarHBondContact O-CG 3.23Å; Q404-Q408 PolarHBondContact O-N 2.9Å |
| 405 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 173.5 | -64.9 | 172 | 0 | 0 | 0 | 110.2 | I33 V242 V245 M285 A288 M289 A292 L401 T402 K407 Q408 A409 | I33-I405 HydrophobicContact CD1-CG1 3.85Å; V242-I405 HydrophobicContact CG2-CB 4.4Å; V242-I405 HydrophobicContact CG2-CG1 4.15Å; V242-I405 HydrophobicContact CG2-CG2 4.18Å; V245-I405 HydrophobicContact CG2-CG2 4.33Å; M285-I405 HydrophobicContact SD-CD1 3.68Å; M285-I405 HydrophobicContact SD-CG1 4.11Å; A288-I405 HydrophobicContact CB-CD1 3.6Å; M289-I405 HydrophobicContact CB-CD1 4.35Å; A292-I405 HydrophobicContact CB-CB 3.94Å; A292-I405 HydrophobicContact CB-CG2 3.62Å; L401-I405 HydrophobicContact CG-CD1 4.49Å; L401-I405 WeakPolarHBondContact O-CG1 3.41Å; L401-I405 PolarHBondContact O-N 2.89Å; T402-I405 PolarHBondContact O-N 3.21Å; I405-K407 PolarHBondContact O-N 3.42Å; I405-Q408 PolarHBondContact O-N 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.41Å; I405-A409 PolarHBondContact O-N 3Å |
| 406 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.4 | -51.1 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | V49 A292 Y295 L296 T402 D403 Q404 R410 | V49-V406 HydrophobicContact CG1-CG2 3.92Å; A292-V406 HydrophobicContact CB-CG2 3.7Å; Y295-V406 HydrophobicContact CD1-CG1 3.92Å; Y295-V406 HydrophobicContact CD1-CG2 4.02Å; Y295-V406 HydrophobicContact CE1-CG1 4Å; Y295-V406 HydrophobicContact CG-CG2 4.29Å; L296-V406 HydrophobicContact CD2-CG1 3.93Å; L296-V406 HydrophobicContact CG-CG1 4.29Å; L296-V406 HydrophobicContact CG-CG2 4.35Å; T402-V406 WeakPolarHBondContact O-CG2 3.32Å; T402-V406 PolarHBondContact O-N 3.25Å; D403-V406 WeakPolarHBondContact O-CB 3.25Å; D403-V406 PolarHBondContact O-N 3.36Å; Q404-V406 VanDerWaalsContact C-N 3.34Å; V406-R410 WeakPolarHBondContact O-CB 3.31Å; V406-R410 PolarHBondContact O-N 3.38Å |
| 407 | K | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 33.8 Ų | 33.8 | 44% | 0.439 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.9 | -47.4 | -179.4 | -74.2 | 167.2 | 174.8 | 160.7 | 0 | 112.7 | D403 Q404 I405 A411 | D403-K407 WeakPolarHBondContact O-CG 3.36Å; D403-K407 PolarHBondContact O-N 2.99Å; D403-K407 WeakPolarHBondContact OD2-CE 3.31Å; D403-K407 IonicContact OD2-NZ 3.75Å; D403-K407 PolarHBondContact OD2-NZ 3.05Å; Q404-K407 PolarHBondContact O-N 3.26Å; I405-K407 PolarHBondContact O-N 3.42Å; K407-A411 PolarHBondContact O-N 3.36Å |
| 408 | Q | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 25% | 0.252 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.6 | -40.2 | -177.3 | -65.1 | -173.5 | 6.4 | 0 | 0 | 112.4 | E31 G32 I33 V242 Q404 I405 A411 I412 | E31-Q408 PolarHBondContact O-OE1 3.48Å; G32-Q408 PolarHBondContact O-NE2 3.39Å; G32-Q408 VanDerWaalsContact O-NE2 3.13Å; I33-Q408 VanDerWaalsContact CG1-NE2 3.28Å; V242-Q408 HydrophobicContact CG1-CB 3.62Å; V242-Q408 HydrophobicContact CG2-CB 4.13Å; Q404-Q408 WeakPolarHBondContact O-CG 3.23Å; Q404-Q408 PolarHBondContact O-N 2.9Å; I405-Q408 PolarHBondContact O-N 3.3Å; Q408-A411 WeakPolarHBondContact O-CB 3.49Å; Q408-A411 PolarHBondContact O-N 2.98Å; Q408-I412 PolarHBondContact O-N 2.85Å |
| 409 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V242 V245 A246 L296 I405 A411 I412 I413 | V242-A409 HydrophobicContact CG1-CB 4.37Å; V245-A409 HydrophobicContact CB-CB 4.14Å; V245-A409 HydrophobicContact CG1-CB 3.83Å; A246-A409 HydrophobicContact CB-CB 4.16Å; L296-A409 HydrophobicContact CD1-CB 3.74Å; I405-A409 WeakPolarHBondContact O-CB 3.41Å; I405-A409 PolarHBondContact O-N 3Å; A409-A411 VanDerWaalsContact C-N 3.29Å; A409-A411 PolarHBondContact O-N 2.91Å; A409-I412 PolarHBondContact O-N 3.39Å; A409-I413 WeakPolarHBondContact O-CG1 3.4Å; A409-I413 PolarHBondContact O-N 3.23Å |
| 410 | R | 98.1 | Very high | 97.9 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 173.2 | -169.8 | -176.4 | -75 | 146 | -11.4 | 111.6 | E48 L296 E299 V406 I413 Q414 | E48-R410 IonicContact OE1-NH1 2.78Å; E48-R410 PolarHBondContact OE1-NH1 3.18Å; E48-R410 IonicContact OE2-CZ 3.02Å; E48-R410 IonicContact OE2-NH1 3.46Å; E48-R410 PolarHBondContact OE2-NH1 3.4Å; E48-R410 IonicContact OE2-NH2 3.61Å; E48-R410 PolarHBondContact OE2-NH2 2.96Å; L296-R410 HydrophobicContact CD2-CB 4.26Å; E299-R410 IonicContact OE1-CZ 2.87Å; E299-R410 IonicContact OE1-NE 2.75Å; E299-R410 PolarHBondContact OE1-NE 2.99Å; E299-R410 IonicContact OE1-NH2 2.7Å; E299-R410 PolarHBondContact OE1-NH2 3.39Å; E299-R410 IonicContact OE2-CZ 2.85Å; E299-R410 IonicContact OE2-NE 3.88Å; E299-R410 IonicContact OE2-NH2 3.67Å; E299-R410 PolarHBondContact OE2-NH2 2.95Å; V406-R410 WeakPolarHBondContact O-CB 3.31Å; V406-R410 PolarHBondContact O-N 3.38Å; R410-I413 PolarHBondContact O-N 2.88Å; R410-Q414 WeakPolarHBondContact O-CB 3.48Å; R410-Q414 PolarHBondContact O-N 2.97Å |
| 411 | A | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K407 Q408 A409 Q415 | K407-A411 PolarHBondContact O-N 3.36Å; Q408-A411 WeakPolarHBondContact O-CB 3.49Å; Q408-A411 PolarHBondContact O-N 2.98Å; A409-A411 VanDerWaalsContact C-N 3.29Å; A409-A411 PolarHBondContact O-N 2.91Å; A411-Q415 WeakPolarHBondContact O-CG 3.17Å; A411-Q415 PolarHBondContact O-N 2.64Å |
| 412 | I | 98.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.2 | -42.5 | 175.2 | -62.9 | 176.8 | 0 | 0 | 0 | 110.9 | V242 Q243 A246 F247 Q408 A409 Q414 Q415 I416 M434 | V242-I412 HydrophobicContact CG1-CD1 3.81Å; Q243-I412 HydrophobicContact CG-CD1 4.15Å; A246-I412 HydrophobicContact CB-CB 3.56Å; A246-I412 HydrophobicContact CB-CD1 4.25Å; A246-I412 HydrophobicContact CB-CG1 4.48Å; A246-I412 HydrophobicContact CB-CG2 3.5Å; A246-I412 VanDerWaalsContact CB-CG2 3.5Å; F247-I412 HydrophobicContact CD1-CG2 4.1Å; F247-I412 HydrophobicContact CE1-CG2 3.56Å; F247-I412 HydrophobicContact CZ-CG2 4.35Å; Q408-I412 PolarHBondContact O-N 2.85Å; A409-I412 PolarHBondContact O-N 3.39Å; I412-Q414 VanDerWaalsContact C-N 3.27Å; I412-Q414 PolarHBondContact O-N 3.49Å; I412-Q415 WeakPolarHBondContact O-CB 3.46Å; I412-Q415 PolarHBondContact O-N 2.55Å; I412-Q415 VanDerWaalsContact O-N 3.15Å; I412-I416 HydrophobicContact CG2-CD1 4.03Å; I412-I416 WeakPolarHBondContact O-CG1 3.49Å; I412-I416 PolarHBondContact O-N 2.77Å; I412-I416 VanDerWaalsContact O-N 3.07Å; I412-M434 HydrophobicContact CD1-CE 4.14Å; I412-M434 HydrophobicContact CG1-CE 4.31Å; I412-M434 HydrophobicContact CG2-CE 4.31Å |
| 413 | I | 98.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 175.7 | -68.4 | 165.7 | 0 | 0 | 0 | 110.2 | A246 L249 I253 A409 R410 Q415 I416 D417 | A246-I413 HydrophobicContact CB-CG1 4.06Å; L249-I413 HydrophobicContact CB-CD1 4.16Å; L249-I413 HydrophobicContact CD1-CD1 4.42Å; I253-I413 HydrophobicContact CD1-CG2 4.45Å; A409-I413 WeakPolarHBondContact O-CG1 3.4Å; A409-I413 PolarHBondContact O-N 3.23Å; R410-I413 PolarHBondContact O-N 2.88Å; I413-Q415 PolarHBondContact O-N 2.87Å; I413-I416 WeakPolarHBondContact O-CB 3.43Å; I413-I416 PolarHBondContact O-N 3.3Å; I413-I416 VanDerWaalsContact O-N 3.15Å; I413-D417 PolarHBondContact O-N 2.81Å |
| 414 | Q | 97.8 | Very high | 96.9 | Very high | 111 Ų | 111 | 47.9 Ų | 47.9 | 52% | 0.519 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.1 | -44 | 175.6 | -177.8 | 179.4 | -5.9 | 0 | 0 | 112.3 | R410 I412 I416 D417 E418 | R410-Q414 WeakPolarHBondContact O-CB 3.48Å; R410-Q414 PolarHBondContact O-N 2.97Å; I412-Q414 VanDerWaalsContact C-N 3.27Å; I412-Q414 PolarHBondContact O-N 3.49Å; Q414-I416 VanDerWaalsContact C-N 3.25Å; Q414-I416 PolarHBondContact O-N 3.41Å; Q414-D417 PolarHBondContact O-N 3.43Å; Q414-E418 HydrophobicContact CG-CG 4.41Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.4Å; Q414-E418 PolarHBondContact NE2-OE1 3.02Å; Q414-E418 WeakPolarHBondContact O-CB 3.31Å; Q414-E418 VanDerWaalsContact O-CG 3.3Å; Q414-E418 WeakPolarHBondContact O-CG 3.49Å; Q414-E418 PolarHBondContact O-N 3.3Å |
| 415 | Q | 97.5 | Very high | 96.6 | Very high | 91 Ų | 91 | 45.4 Ų | 45.4 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 175.9 | -70 | 174.4 | 33.6 | 0 | 0 | 112.1 | A411 I412 I413 A419 | A411-Q415 WeakPolarHBondContact O-CG 3.17Å; A411-Q415 PolarHBondContact O-N 2.64Å; I412-Q415 WeakPolarHBondContact O-CB 3.46Å; I412-Q415 PolarHBondContact O-N 2.55Å; I412-Q415 VanDerWaalsContact O-N 3.15Å; I413-Q415 PolarHBondContact O-N 2.87Å; Q415-A419 PolarHBondContact O-N 3.49Å; Q415-A419 VanDerWaalsContact O-N 3.08Å |
| 416 | I | 97.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -43 | 176.7 | -67.1 | 162.3 | 0 | 0 | 0 | 111.2 | F247 A250 I412 I413 Q414 E418 A419 G420 G421 M422 A425 | F247-I416 HydrophobicContact CD1-CD1 3.65Å; F247-I416 HydrophobicContact CE1-CD1 3.99Å; A250-I416 HydrophobicContact CB-CD1 3.87Å; A250-I416 HydrophobicContact CB-CG2 4.06Å; I412-I416 HydrophobicContact CG2-CD1 4.03Å; I412-I416 WeakPolarHBondContact O-CG1 3.49Å; I412-I416 PolarHBondContact O-N 2.77Å; I412-I416 VanDerWaalsContact O-N 3.07Å; I413-I416 WeakPolarHBondContact O-CB 3.43Å; I413-I416 PolarHBondContact O-N 3.3Å; I413-I416 VanDerWaalsContact O-N 3.15Å; Q414-I416 VanDerWaalsContact C-N 3.25Å; Q414-I416 PolarHBondContact O-N 3.41Å; I416-E418 VanDerWaalsContact C-N 3.33Å; I416-E418 PolarHBondContact O-N 2.99Å; I416-A419 WeakPolarHBondContact O-CB 3.19Å; I416-A419 PolarHBondContact O-N 3.3Å; I416-G420 PolarHBondContact O-N 3.15Å; I416-G421 PolarHBondContact O-N 3.47Å; I416-M422 HydrophobicContact CD1-SD 4.02Å; I416-M422 HydrophobicContact CG1-SD 4.42Å; I416-M422 HydrophobicContact CG2-CB 3.99Å; I416-M422 HydrophobicContact CG2-SD 3.93Å; I416-A425 HydrophobicContact CG2-CB 4.13Å |
| 417 | D | 96.2 | Very high | 95.8 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 175.3 | -80.1 | -30.1 | 0 | 0 | 0 | 111.5 | K257 I413 Q414 A419 G420 | K257-D417 IonicContact NZ-OD1 2.85Å; I413-D417 PolarHBondContact O-N 2.81Å; Q414-D417 PolarHBondContact O-N 3.43Å; D417-A419 VanDerWaalsContact C-N 3.29Å; D417-A419 PolarHBondContact O-N 3.12Å; D417-G420 WeakPolarHBondContact O-CA 3.47Å; D417-G420 PolarHBondContact O-N 3Å |
| 418 | E | 96.7 | Very high | 95.4 | Very high | 138 Ų | 138 | 51.1 Ų | 51.1 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -31.9 | 173.8 | -74.1 | 171.8 | -173.3 | 0 | 0 | 112.6 | Q414 I416 G420 | Q414-E418 HydrophobicContact CG-CG 4.41Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.4Å; Q414-E418 PolarHBondContact NE2-OE1 3.02Å; Q414-E418 WeakPolarHBondContact O-CB 3.31Å; Q414-E418 VanDerWaalsContact O-CG 3.3Å; Q414-E418 WeakPolarHBondContact O-CG 3.49Å; Q414-E418 PolarHBondContact O-N 3.3Å; I416-E418 VanDerWaalsContact C-N 3.33Å; I416-E418 PolarHBondContact O-N 2.99Å; E418-G420 PolarHBondContact O-N 3.31Å |
| 419 | A | 95 | Very high | 95 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -3.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q415 I416 D417 K424 A425 | Q415-A419 PolarHBondContact O-N 3.49Å; Q415-A419 VanDerWaalsContact O-N 3.08Å; I416-A419 WeakPolarHBondContact O-CB 3.19Å; I416-A419 PolarHBondContact O-N 3.3Å; D417-A419 VanDerWaalsContact C-N 3.29Å; D417-A419 PolarHBondContact O-N 3.12Å; A419-K424 WeakPolarHBondContact O-CB 3.4Å; A419-A425 HydrophobicContact CB-CB 4.21Å |
| 420 | G | 95.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 52 Ų | 52 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 23.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | I416 D417 E418 | I416-G420 PolarHBondContact O-N 3.15Å; D417-G420 WeakPolarHBondContact O-CA 3.47Å; D417-G420 PolarHBondContact O-N 3Å; E418-G420 PolarHBondContact O-N 3.31Å |
| 421 | G | 94.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 100.1 | 167.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I416 A423 K424 A425 | I416-G421 PolarHBondContact O-N 3.47Å; G421-A423 PolarHBondContact O-N 3.38Å; G421-K424 PolarHBondContact O-N 3.44Å; G421-A425 PolarHBondContact O-N 2.86Å |
| 422 | M | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | -167.4 | -167.7 | 49.4 | 167.1 | 0 | 0 | 113.1 | L194 F247 A250 D251 E254 I416 K424 A425 I426 P431 | L194-M422 HydrophobicContact CD1-CE 3.54Å; F247-M422 HydrophobicContact CB-CE 3.83Å; F247-M422 HydrophobicContact CD1-CE 4.26Å; F247-M422 HydrophobicContact CG-CE 4.28Å; A250-M422 HydrophobicContact CB-CB 4.19Å; A250-M422 HydrophobicContact CB-CG 4.18Å; A250-M422 HydrophobicContact CB-SD 4.26Å; D251-M422 WeakPolarHBondContact OD1-CE 3.37Å; D251-M422 WeakPolarHBondContact OD1-CG 3.21Å; E254-M422 HydrophobicContact CB-CB 4.34Å; I416-M422 HydrophobicContact CD1-SD 4.02Å; I416-M422 HydrophobicContact CG1-SD 4.42Å; I416-M422 HydrophobicContact CG2-CB 3.99Å; I416-M422 HydrophobicContact CG2-SD 3.93Å; M422-K424 PolarHBondContact O-N 3.42Å; M422-A425 PolarHBondContact O-N 2.82Å; M422-A425 HydrophobicContact SD-CB 4.46Å; M422-I426 HydrophobicContact CG-CD1 4.21Å; M422-I426 WeakPolarHBondContact O-CD1 3.35Å; M422-I426 VanDerWaalsContact O-CG1 3.27Å; M422-I426 WeakPolarHBondContact O-CG1 3.48Å; M422-I426 PolarHBondContact O-N 3.43Å; M422-P431 HydrophobicContact CE-CB 4.19Å; M422-P431 HydrophobicContact CE-CG 3.98Å; M422-P431 HydrophobicContact SD-CG 3.79Å |
| 423 | A | 90.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 E254 G421 I426 E427 | L190-A423 HydrophobicContact CD2-CB 4.44Å; E254-A423 HydrophobicContact CG-CB 4.26Å; G421-A423 PolarHBondContact O-N 3.38Å; A423-I426 PolarHBondContact O-N 3.25Å; A423-E427 PolarHBondContact O-N 3.28Å |
| 424 | K | 92.4 | Very high | 94.2 | Very high | 123 Ų | 123 | 54.4 Ų | 54.4 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.4 | -36.7 | 176.6 | -69.8 | -173.5 | -178.6 | 174.7 | 0 | 112.4 | A419 G421 M422 I426 E427 A428 | A419-K424 WeakPolarHBondContact O-CB 3.4Å; G421-K424 PolarHBondContact O-N 3.44Å; M422-K424 PolarHBondContact O-N 3.42Å; K424-I426 VanDerWaalsContact C-N 3.28Å; K424-I426 PolarHBondContact O-N 3.45Å; K424-E427 PolarHBondContact O-N 3.2Å; K424-A428 WeakPolarHBondContact O-CB 3.35Å; K424-A428 PolarHBondContact O-N 3.05Å |
| 425 | A | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I416 A419 G421 M422 A428 G429 L430 P431 | I416-A425 HydrophobicContact CG2-CB 4.13Å; A419-A425 HydrophobicContact CB-CB 4.21Å; G421-A425 PolarHBondContact O-N 2.86Å; M422-A425 PolarHBondContact O-N 2.82Å; M422-A425 HydrophobicContact SD-CB 4.46Å; A425-A428 PolarHBondContact O-N 3.26Å; A425-G429 PolarHBondContact O-N 2.96Å; A425-G429 VanDerWaalsContact O-N 3.15Å; A425-L430 PolarHBondContact O-N 2.91Å; A425-P431 HydrophobicContact CB-CG 4.13Å; A425-P431 WeakPolarHBondContact O-CD 3.26Å |
| 426 | I | 90.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 172.6 | -72.2 | 162.3 | 0 | 0 | 0 | 110.8 | L190 L194 M422 A423 K424 A428 G429 | L190-I426 HydrophobicContact CB-CD1 3.85Å; L190-I426 HydrophobicContact CD2-CD1 3.82Å; L190-I426 HydrophobicContact CG-CD1 4.36Å; L194-I426 HydrophobicContact CD1-CD1 4.35Å; L194-I426 HydrophobicContact CD1-CG1 4.29Å; L194-I426 HydrophobicContact CD2-CD1 4.46Å; L194-I426 HydrophobicContact CD2-CG1 3.66Å; L194-I426 HydrophobicContact CG-CD1 4.19Å; L194-I426 HydrophobicContact CG-CG1 3.92Å; M422-I426 HydrophobicContact CG-CD1 4.21Å; M422-I426 WeakPolarHBondContact O-CD1 3.35Å; M422-I426 VanDerWaalsContact O-CG1 3.27Å; M422-I426 WeakPolarHBondContact O-CG1 3.48Å; M422-I426 PolarHBondContact O-N 3.43Å; A423-I426 PolarHBondContact O-N 3.25Å; K424-I426 VanDerWaalsContact C-N 3.28Å; K424-I426 PolarHBondContact O-N 3.45Å; I426-A428 PolarHBondContact O-N 2.94Å; I426-G429 WeakPolarHBondContact O-CA 3.35Å; I426-G429 PolarHBondContact O-N 3.31Å |
| 427 | E | 88.5 | Confident | 94.1 | Very high | 136 Ų | 136 | 49.4 Ų | 49.4 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.4 | -35.8 | 176.7 | -70.9 | 175.5 | 178 | 0 | 0 | 112.2 | A423 K424 G429 | A423-E427 PolarHBondContact O-N 3.28Å; K424-E427 PolarHBondContact O-N 3.2Å; E427-G429 PolarHBondContact O-N 3.01Å |
| 428 | A | 90 | Very high | 94.1 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 55% | 0.554 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K424 A425 I426 L430 | K424-A428 WeakPolarHBondContact O-CB 3.35Å; K424-A428 PolarHBondContact O-N 3.05Å; A425-A428 PolarHBondContact O-N 3.26Å; I426-A428 PolarHBondContact O-N 2.94Å; A428-L430 VanDerWaalsContact C-N 3.26Å; A428-L430 PolarHBondContact O-N 3.19Å |
| 429 | G | 91.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 40.2 Ų | 40.2 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 18.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A425 I426 E427 R433 | A425-G429 PolarHBondContact O-N 2.96Å; A425-G429 VanDerWaalsContact O-N 3.15Å; I426-G429 WeakPolarHBondContact O-CA 3.35Å; I426-G429 PolarHBondContact O-N 3.31Å; E427-G429 PolarHBondContact O-N 3.01Å; G429-R433 VanDerWaalsContact O-CB 3.3Å; G429-R433 WeakPolarHBondContact O-CB 3.38Å; G429-R433 PolarHBondContact O-N 3.38Å |
| 430 | L | 94 | Very high | 94.2 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -57.1 | -174.8 | 172.1 | 67.9 | 0 | 0 | 0 | 112.3 | A425 A428 K432 R433 M434 | A425-L430 PolarHBondContact O-N 2.91Å; A428-L430 VanDerWaalsContact C-N 3.26Å; A428-L430 PolarHBondContact O-N 3.19Å; L430-K432 PolarHBondContact O-N 3.02Å; L430-R433 PolarHBondContact O-N 2.91Å; L430-M434 HydrophobicContact CD1-CG 4.42Å; L430-M434 HydrophobicContact CD1-SD 4.14Å; L430-M434 HydrophobicContact CG-SD 4.28Å; L430-M434 WeakPolarHBondContact O-CG 3.5Å; L430-M434 PolarHBondContact O-N 3.39Å |
| 431 | P | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | -177.6 | -17.6 | 30.2 | 0 | 0 | 0 | 112.2 | L194 F247 M422 A425 R433 M434 I435 | L194-P431 HydrophobicContact CD1-CB 4.34Å; L194-P431 HydrophobicContact CD2-CB 3.79Å; L194-P431 HydrophobicContact CD2-CG 4.24Å; F247-P431 HydrophobicContact CD1-CB 3.99Å; F247-P431 HydrophobicContact CD2-CB 4.46Å; F247-P431 HydrophobicContact CE1-CB 3.79Å; F247-P431 HydrophobicContact CE1-CG 4.43Å; F247-P431 HydrophobicContact CE2-CB 4.28Å; F247-P431 HydrophobicContact CG-CB 4.34Å; F247-P431 HydrophobicContact CZ-CB 3.95Å; M422-P431 HydrophobicContact CE-CB 4.19Å; M422-P431 HydrophobicContact CE-CG 3.98Å; M422-P431 HydrophobicContact SD-CG 3.79Å; A425-P431 HydrophobicContact CB-CG 4.13Å; A425-P431 WeakPolarHBondContact O-CD 3.26Å; P431-R433 VanDerWaalsContact C-N 3.34Å; P431-R433 PolarHBondContact O-N 3.21Å; P431-M434 PolarHBondContact O-N 2.99Å; P431-I435 WeakPolarHBondContact O-CG1 3.37Å; P431-I435 PolarHBondContact O-N 3.34Å |
| 432 | K | 93.7 | Very high | 94.2 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 178.3 | -176.3 | 167.9 | 177.3 | 54.6 | 0 | 111.6 | L194 L430 M434 I435 E436 D598 | L194-K432 HydrophobicContact CD2-CB 4.14Å; L194-K432 PolarHBondContact O-NZ 3.41Å; L430-K432 PolarHBondContact O-N 3.02Å; K432-M434 PolarHBondContact O-N 3.05Å; K432-I435 PolarHBondContact O-N 2.98Å; K432-E436 WeakPolarHBondContact CE-OE1 3.44Å; K432-E436 HydrophobicContact CG-CG 4.47Å; K432-E436 WeakPolarHBondContact CG-OE1 3.45Å; K432-E436 IonicContact NZ-OE1 2.97Å; K432-E436 PolarHBondContact NZ-OE1 3.31Å; K432-E436 WeakPolarHBondContact O-CG 3.46Å; K432-E436 PolarHBondContact O-N 3.37Å; K432-D598 IonicContact NZ-OD2 3.49Å; K432-D598 PolarHBondContact NZ-OD2 3.27Å |
| 433 | R | 94.7 | Very high | 94.3 | Very high | 123 Ų | 123 | 44.7 Ų | 44.7 | 46% | 0.464 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.7 | -168.7 | -167.1 | -37.7 | -178.5 | 7.3 | 112.4 | G429 L430 P431 I435 E436 E437 V549 | G429-R433 VanDerWaalsContact O-CB 3.3Å; G429-R433 WeakPolarHBondContact O-CB 3.38Å; G429-R433 PolarHBondContact O-N 3.38Å; L430-R433 PolarHBondContact O-N 2.91Å; P431-R433 VanDerWaalsContact C-N 3.34Å; P431-R433 PolarHBondContact O-N 3.21Å; R433-I435 VanDerWaalsContact C-N 3.28Å; R433-I435 PolarHBondContact O-N 3.05Å; R433-E436 PolarHBondContact O-N 3.04Å; R433-E437 HydrophobicContact CG-CG 4.47Å; R433-E437 WeakPolarHBondContact O-CB 3.26Å; R433-E437 VanDerWaalsContact O-CG 3.3Å; R433-E437 WeakPolarHBondContact O-CG 3.36Å; R433-E437 PolarHBondContact O-N 3.39Å; R433-V549 HydrophobicContact CG-CG1 3.96Å |
| 434 | M | 96.7 | Very high | 94.5 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -36 | 178.2 | -66.8 | 175.4 | 72.6 | 0 | 0 | 112.6 | Q243 F247 I412 L430 P431 K432 A438 | Q243-M434 PolarHBondContact NE2-O 2.8Å; Q243-M434 VanDerWaalsContact NE2-O 3.15Å; F247-M434 HydrophobicContact CE1-SD 4.18Å; F247-M434 HydrophobicContact CZ-CB 4Å; F247-M434 HydrophobicContact CZ-CE 4.13Å; F247-M434 HydrophobicContact CZ-SD 3.87Å; I412-M434 HydrophobicContact CD1-CE 4.14Å; I412-M434 HydrophobicContact CG1-CE 4.31Å; I412-M434 HydrophobicContact CG2-CE 4.31Å; L430-M434 HydrophobicContact CD1-CG 4.42Å; L430-M434 HydrophobicContact CD1-SD 4.14Å; L430-M434 HydrophobicContact CG-SD 4.28Å; L430-M434 WeakPolarHBondContact O-CG 3.5Å; L430-M434 PolarHBondContact O-N 3.39Å; P431-M434 PolarHBondContact O-N 2.99Å; K432-M434 PolarHBondContact O-N 3.05Å; M434-A438 WeakPolarHBondContact O-CB 3.32Å; M434-A438 PolarHBondContact O-N 3.29Å |
| 435 | I | 97.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.9 | -47.3 | 174.9 | -65.2 | 172.5 | 0 | 0 | 0 | 110.3 | M234 A237 A239 F247 P431 K432 R433 E437 A438 S439 | M234-I435 HydrophobicContact CB-CD1 4.22Å; M234-I435 HydrophobicContact CG-CD1 4.46Å; A237-I435 HydrophobicContact CB-CG2 3.76Å; A239-I435 HydrophobicContact CB-CD1 4.46Å; A239-I435 HydrophobicContact CB-CG1 4.02Å; F247-I435 HydrophobicContact CD2-CD1 4.07Å; F247-I435 HydrophobicContact CD2-CG1 4.18Å; F247-I435 HydrophobicContact CE2-CD1 4.08Å; F247-I435 HydrophobicContact CE2-CG1 3.72Å; P431-I435 WeakPolarHBondContact O-CG1 3.37Å; P431-I435 PolarHBondContact O-N 3.34Å; K432-I435 PolarHBondContact O-N 2.98Å; R433-I435 VanDerWaalsContact C-N 3.28Å; R433-I435 PolarHBondContact O-N 3.05Å; I435-E437 PolarHBondContact O-N 2.85Å; I435-A438 PolarHBondContact O-N 3.5Å; I435-S439 WeakPolarHBondContact O-CB 3.5Å; I435-S439 PolarHBondContact O-N 3.21Å |
| 436 | E | 96.1 | Very high | 94.8 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | -179.9 | -72.4 | 176.2 | -177.3 | 0 | 0 | 112.1 | K432 R433 S439 A440 V549 | K432-E436 WeakPolarHBondContact CE-OE1 3.44Å; K432-E436 HydrophobicContact CG-CG 4.47Å; K432-E436 WeakPolarHBondContact CG-OE1 3.45Å; K432-E436 IonicContact NZ-OE1 2.97Å; K432-E436 PolarHBondContact NZ-OE1 3.31Å; K432-E436 WeakPolarHBondContact O-CG 3.46Å; K432-E436 PolarHBondContact O-N 3.37Å; R433-E436 PolarHBondContact O-N 3.04Å; E436-S439 PolarHBondContact O-N 2.79Å; E436-A440 WeakPolarHBondContact O-CB 3.07Å; E436-A440 PolarHBondContact O-N 2.73Å; E436-V549 HydrophobicContact CB-CG1 3.77Å; E436-V549 HydrophobicContact CB-CG2 4.12Å |
| 437 | E | 96.5 | Very high | 95 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.4 | -74.1 | 175 | -171.2 | 0 | 0 | 112.3 | R433 I435 R441 V549 V552 | R433-E437 HydrophobicContact CG-CG 4.47Å; R433-E437 WeakPolarHBondContact O-CB 3.26Å; R433-E437 VanDerWaalsContact O-CG 3.3Å; R433-E437 WeakPolarHBondContact O-CG 3.36Å; R433-E437 PolarHBondContact O-N 3.39Å; I435-E437 PolarHBondContact O-N 2.85Å; E437-R441 WeakPolarHBondContact O-CB 3.32Å; E437-R441 PolarHBondContact O-N 3.16Å; E437-R441 VanDerWaalsContact O-N 3.1Å; E437-V549 HydrophobicContact CG-CG1 4.04Å; E437-V552 HydrophobicContact CG-CG2 4.02Å |
| 438 | A | 96.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G238 M434 I435 R441 E442 | G238-A438 VanDerWaalsContact O-CB 3.26Å; G238-A438 WeakPolarHBondContact O-CB 3.42Å; M434-A438 WeakPolarHBondContact O-CB 3.32Å; M434-A438 PolarHBondContact O-N 3.29Å; I435-A438 PolarHBondContact O-N 3.5Å; A438-R441 PolarHBondContact O-N 3.32Å; A438-E442 WeakPolarHBondContact O-CB 3.18Å; A438-E442 PolarHBondContact O-N 3.34Å |
| 439 | S | 96.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -49.6 | 177.8 | -158.3 | 0 | 0 | 0 | 0 | 112.7 | A237 I435 E436 R441 E442 Q443 R599 | A237-S439 WeakPolarHBondContact O-CB 3.39Å; A237-S439 PolarHBondContact O-OG 2.88Å; I435-S439 WeakPolarHBondContact O-CB 3.5Å; I435-S439 PolarHBondContact O-N 3.21Å; E436-S439 PolarHBondContact O-N 2.79Å; S439-R441 PolarHBondContact O-N 2.96Å; S439-E442 PolarHBondContact O-N 2.89Å; S439-Q443 PolarHBondContact O-N 3.37Å; S439-R599 WeakPolarHBondContact OG-CG 3.17Å; S439-R599 PolarHBondContact OG-NE 3.48Å |
| 440 | A | 96.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | E436 S444 V549 V552 I553 | E436-A440 WeakPolarHBondContact O-CB 3.07Å; E436-A440 PolarHBondContact O-N 2.73Å; A440-S444 WeakPolarHBondContact O-CB 3.31Å; A440-S444 PolarHBondContact O-N 3.21Å; A440-S444 VanDerWaalsContact O-N 3.09Å; A440-V549 HydrophobicContact CB-CG2 4.38Å; A440-V552 HydrophobicContact CB-CB 4.22Å; A440-V552 HydrophobicContact CB-CG1 3.93Å; A440-I553 HydrophobicContact CB-CG1 4.21Å |
| 441 | R | 95.7 | Very high | 95.6 | Very high | 99 Ų | 99 | 39 Ų | 39 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.4 | -45 | 175.6 | -172.2 | 175.7 | -77.2 | 116.6 | -2.6 | 111.4 | E437 A438 S439 S444 L445 V552 | E437-R441 WeakPolarHBondContact O-CB 3.32Å; E437-R441 PolarHBondContact O-N 3.16Å; E437-R441 VanDerWaalsContact O-N 3.1Å; A438-R441 PolarHBondContact O-N 3.32Å; S439-R441 PolarHBondContact O-N 2.96Å; R441-S444 PolarHBondContact O-N 3Å; R441-L445 WeakPolarHBondContact O-CG 3.1Å; R441-L445 PolarHBondContact O-N 3.41Å; R441-V552 HydrophobicContact CB-CG1 4.33Å |
| 442 | E | 96 | Very high | 95.7 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 17% | 0.173 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 179.2 | -172.1 | 62.1 | -164.2 | 0 | 0 | 111.7 | W323 A438 S439 S444 L445 I446 R451 | W323-E442 HydrophobicContact CH2-CG 3.84Å; W323-E442 HydrophobicContact CZ2-CG 4.33Å; A438-E442 WeakPolarHBondContact O-CB 3.18Å; A438-E442 PolarHBondContact O-N 3.34Å; S439-E442 PolarHBondContact O-N 2.89Å; E442-S444 VanDerWaalsContact C-N 3.31Å; E442-S444 PolarHBondContact O-N 2.95Å; E442-L445 PolarHBondContact O-N 2.64Å; E442-L445 VanDerWaalsContact O-N 3.1Å; E442-I446 HydrophobicContact CG-CD1 4.16Å; E442-I446 WeakPolarHBondContact O-CG1 3.44Å; E442-I446 PolarHBondContact O-N 3Å; E442-R451 WeakPolarHBondContact OE1-CG 3.41Å; E442-R451 IonicContact OE1-NE 2.76Å; E442-R451 IonicContact OE2-NE 3.85Å |
| 443 | Q | 96.7 | Very high | 96 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.4 | -171 | 65.9 | 45.7 | 0 | 0 | 111.4 | S439 L445 I446 D447 V603 | S439-Q443 PolarHBondContact O-N 3.37Å; Q443-L445 VanDerWaalsContact C-N 3.28Å; Q443-L445 PolarHBondContact O-N 2.98Å; Q443-I446 PolarHBondContact O-N 2.84Å; Q443-I446 VanDerWaalsContact O-N 3.15Å; Q443-D447 PolarHBondContact NE2-OD1 3.15Å; Q443-D447 PolarHBondContact O-N 3.26Å; Q443-V603 HydrophobicContact CB-CG1 3.74Å; Q443-V603 HydrophobicContact CG-CG1 3.74Å |
| 444 | S | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -36.5 | 177.2 | -179 | 0 | 0 | 0 | 0 | 112.5 | A440 R441 E442 Q448 S556 Y557 | A440-S444 WeakPolarHBondContact O-CB 3.31Å; A440-S444 PolarHBondContact O-N 3.21Å; A440-S444 VanDerWaalsContact O-N 3.09Å; R441-S444 PolarHBondContact O-N 3Å; E442-S444 VanDerWaalsContact C-N 3.31Å; E442-S444 PolarHBondContact O-N 2.95Å; S444-Q448 WeakPolarHBondContact O-CB 3.43Å; S444-Q448 WeakPolarHBondContact O-CG 3.37Å; S444-Q448 PolarHBondContact O-N 3.01Å; S444-Q448 VanDerWaalsContact O-N 3.09Å; S444-Q448 PolarHBondContact O-NE2 3.02Å; S444-Q448 VanDerWaalsContact O-NE2 3.08Å; S444-Q448 PolarHBondContact OG-NE2 3.17Å; S444-S556 WeakPolarHBondContact CB-OG 3.49Å; S444-S556 WeakPolarHBondContact OG-CB 3.24Å; S444-S556 PolarHBondContact OG-OG 2.86Å; S444-Y557 VanDerWaalsContact OG-CD2 3.22Å; S444-Y557 WeakPolarHBondContact OG-CD2 3.3Å; S444-Y557 WeakPolarHBondContact OG-CE2 3.31Å |
| 445 | L | 94.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.4 | -34.8 | 175.9 | -65.5 | 176.2 | 0 | 0 | 0 | 112.7 | R441 E442 Q443 G449 K450 R451 | R441-L445 WeakPolarHBondContact O-CG 3.1Å; R441-L445 PolarHBondContact O-N 3.41Å; E442-L445 PolarHBondContact O-N 2.64Å; E442-L445 VanDerWaalsContact O-N 3.1Å; Q443-L445 VanDerWaalsContact C-N 3.28Å; Q443-L445 PolarHBondContact O-N 2.98Å; L445-G449 PolarHBondContact O-N 3.4Å; L445-K450 HydrophobicContact CB-CB 4.35Å; L445-K450 HydrophobicContact CD2-CB 4.12Å; L445-K450 HydrophobicContact CD2-CD 3.65Å; L445-K450 WeakPolarHBondContact O-CA 3.44Å; L445-K450 WeakPolarHBondContact O-CB 3.38Å; L445-K450 PolarHBondContact O-N 3.25Å; L445-R451 HydrophobicContact CB-CB 4.36Å; L445-R451 HydrophobicContact CB-CG 3.67Å; L445-R451 HydrophobicContact CD1-CG 4.3Å; L445-R451 PolarHBondContact O-N 3.26Å |
| 446 | I | 96.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -50.1 | 174.9 | -69.1 | 163 | 0 | 0 | 0 | 110.1 | W323 E442 Q443 Q448 G449 R451 I453 N457 | W323-I446 HydrophobicContact CH2-CD1 3.79Å; W323-I446 HydrophobicContact CZ2-CD1 3.59Å; E442-I446 HydrophobicContact CG-CD1 4.16Å; E442-I446 WeakPolarHBondContact O-CG1 3.44Å; E442-I446 PolarHBondContact O-N 3Å; Q443-I446 PolarHBondContact O-N 2.84Å; Q443-I446 VanDerWaalsContact O-N 3.15Å; I446-Q448 VanDerWaalsContact C-N 3.31Å; I446-Q448 PolarHBondContact O-N 2.87Å; I446-G449 WeakPolarHBondContact O-CA 3.31Å; I446-G449 PolarHBondContact O-N 3.44Å; I446-R451 HydrophobicContact CG1-CB 3.85Å; I446-I453 HydrophobicContact CD1-CD1 3.86Å; I446-I453 HydrophobicContact CG1-CD1 4Å; I446-I453 HydrophobicContact CG2-CD1 3.76Å; I446-I453 HydrophobicContact CG2-CG1 4.4Å; I446-N457 PolarHBondContact O-ND2 2.75Å |
| 447 | D | 95.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | -177.3 | -71.5 | 10.2 | 0 | 0 | 0 | 111.7 | Q443 G449 Y557 M698 | Q443-D447 PolarHBondContact NE2-OD1 3.15Å; Q443-D447 PolarHBondContact O-N 3.26Å; D447-G449 PolarHBondContact O-N 3.49Å; D447-Y557 VanDerWaalsContact CB-OH 3.29Å; D447-Y557 WeakPolarHBondContact CB-OH 3.43Å; D447-M698 WeakPolarHBondContact OD2-CB 3.49Å; D447-M698 PolarHBondContact OD2-N 3.17Å |
| 448 | Q | 94.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.2 | 172.4 | -70.7 | 175.7 | 65 | 0 | 0 | 113.8 | S444 I446 K450 S556 Y557 | S444-Q448 WeakPolarHBondContact O-CB 3.43Å; S444-Q448 WeakPolarHBondContact O-CG 3.37Å; S444-Q448 PolarHBondContact O-N 3.01Å; S444-Q448 VanDerWaalsContact O-N 3.09Å; S444-Q448 PolarHBondContact O-NE2 3.02Å; S444-Q448 VanDerWaalsContact O-NE2 3.08Å; S444-Q448 PolarHBondContact OG-NE2 3.17Å; I446-Q448 VanDerWaalsContact C-N 3.31Å; I446-Q448 PolarHBondContact O-N 2.87Å; Q448-K450 HydrophobicContact CB-CD 4.26Å; Q448-K450 HydrophobicContact CB-CG 4.11Å; Q448-K450 PolarHBondContact O-N 2.97Å; Q448-S556 PolarHBondContact NE2-OG 3.47Å; Q448-Y557 HydrophobicContact CG-CD1 4.16Å; Q448-Y557 HydrophobicContact CG-CE1 3.76Å |
| 449 | G | 94.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L445 I446 D447 | L445-G449 PolarHBondContact O-N 3.4Å; I446-G449 WeakPolarHBondContact O-CA 3.31Å; I446-G449 PolarHBondContact O-N 3.44Å; D447-G449 PolarHBondContact O-N 3.49Å |
| 450 | K | 93.4 | Very high | 96.3 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 41% | 0.409 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -75.2 | -29.7 | 175.2 | -67.6 | 176.6 | 177.1 | 166 | 0 | 111.3 | L445 Q448 | L445-K450 HydrophobicContact CB-CB 4.35Å; L445-K450 HydrophobicContact CD2-CB 4.12Å; L445-K450 HydrophobicContact CD2-CD 3.65Å; L445-K450 WeakPolarHBondContact O-CA 3.44Å; L445-K450 WeakPolarHBondContact O-CB 3.38Å; L445-K450 PolarHBondContact O-N 3.25Å; Q448-K450 HydrophobicContact CB-CD 4.26Å; Q448-K450 HydrophobicContact CB-CG 4.11Å; Q448-K450 PolarHBondContact O-N 2.97Å |
| 451 | R | 94.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 25% | 0.249 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -107 | 117.5 | 166.6 | -68.6 | -71.9 | -176.2 | -145.1 | -3.1 | 108.1 | H27 E442 L445 I446 N457 | H27-R451 PolarHBondContact CE1-NH1 2.98Å; H27-R451 PolarHBondContact NE2-NH1 3.23Å; H27-R451 VanDerWaalsContact NE2-NH1 3.16Å; E442-R451 WeakPolarHBondContact OE1-CG 3.41Å; E442-R451 IonicContact OE1-NE 2.76Å; E442-R451 IonicContact OE2-NE 3.85Å; L445-R451 HydrophobicContact CB-CB 4.36Å; L445-R451 HydrophobicContact CB-CG 3.67Å; L445-R451 HydrophobicContact CD1-CG 4.3Å; L445-R451 PolarHBondContact O-N 3.26Å; I446-R451 HydrophobicContact CG1-CB 3.85Å; R451-N457 PolarHBondContact O-ND2 2.98Å |
| 452 | V | 97.7 | Very high | 96.2 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 48% | 0.479 | 30% | 0.295 | S | S | . | . | trans | -86.2 | 129 | -176.8 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | V454 K458 | V452-V454 HydrophobicContact CG1-CG2 4.49Å; V452-K458 HydrophobicContact CG1-CB 3.94Å; V452-K458 HydrophobicContact CG1-CD 4Å; V452-K458 HydrophobicContact CG2-CD 4.18Å | ||
| 453 | I | 98.4 | Very high | 96 | Very high | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | trans | -120.1 | 108.9 | 167.5 | -55.6 | -178.5 | 0 | 0 | 0 | 107.2 | T326 I446 G455 V456 N457 | T326-I453 HydrophobicContact CG2-CG2 3.58Å; I446-I453 HydrophobicContact CD1-CD1 3.86Å; I446-I453 HydrophobicContact CG1-CD1 4Å; I446-I453 HydrophobicContact CG2-CD1 3.76Å; I446-I453 HydrophobicContact CG2-CG1 4.4Å; I453-G455 PolarHBondContact O-N 2.96Å; I453-V456 HydrophobicContact CB-CB 4.04Å; I453-V456 HydrophobicContact CB-CG2 4.35Å; I453-V456 HydrophobicContact CG2-CB 3.8Å; I453-V456 HydrophobicContact CG2-CG2 3.54Å; I453-V456 PolarHBondContact O-N 3.15Å; I453-V456 VanDerWaalsContact O-N 3.09Å; I453-N457 PolarHBondContact N-OD1 3.02Å; I453-N457 PolarHBondContact O-N 2.94Å; I453-N457 VanDerWaalsContact O-N 3.12Å; I453-N457 PolarHBondContact O-OD1 3.23Å | ||
| 454 | V | 98.5 | Very high | 95.7 | Very high | 63 Ų | 63 | 67 Ų | 67 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 132.3 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 110 | R336 V452 V456 K458 Y459 | R336-V454 PolarHBondContact NH2-O 3.06Å; V452-V454 HydrophobicContact CG1-CG2 4.49Å; V454-V456 VanDerWaalsContact C-N 3.25Å; V454-V456 PolarHBondContact O-N 3.09Å; V454-K458 WeakPolarHBondContact CA-O 3.18Å; V454-Y459 HydrophobicContact CG1-CD2 4.33Å; V454-Y459 HydrophobicContact CG2-CD2 4.27Å |
| 455 | G | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -24.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | I453 K458 | I453-G455 PolarHBondContact O-N 2.96Å; G455-K458 PolarHBondContact N-O 3.5Å |
| 456 | V | 97.2 | Very high | 95 | Very high | 12 Ų | 12 | 81.9 Ų | 81.9 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -63 | -172.8 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | T326 Q328 I453 V454 K460 | T326-V456 HydrophobicContact CG2-CG2 3.52Å; Q328-V456 HydrophobicContact CB-CG2 4.4Å; I453-V456 HydrophobicContact CB-CB 4.04Å; I453-V456 HydrophobicContact CB-CG2 4.35Å; I453-V456 HydrophobicContact CG2-CB 3.8Å; I453-V456 HydrophobicContact CG2-CG2 3.54Å; I453-V456 PolarHBondContact O-N 3.15Å; I453-V456 VanDerWaalsContact O-N 3.09Å; V454-V456 VanDerWaalsContact C-N 3.25Å; V454-V456 PolarHBondContact O-N 3.09Å; V456-K460 VanDerWaalsContact O-CD 3.27Å; V456-K460 WeakPolarHBondContact O-CD 3.46Å; V456-K460 WeakPolarHBondContact O-CE 3.17Å; V456-K460 PolarHBondContact O-NZ 3.47Å |
| 457 | N | 97.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 82.8 Ų | 82.8 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -8.5 | -179.6 | 71.9 | 5.1 | 0 | 0 | 0 | 113.1 | I446 R451 I453 | I446-N457 PolarHBondContact O-ND2 2.75Å; R451-N457 PolarHBondContact O-ND2 2.98Å; I453-N457 PolarHBondContact N-OD1 3.02Å; I453-N457 PolarHBondContact O-N 2.94Å; I453-N457 VanDerWaalsContact O-N 3.12Å; I453-N457 PolarHBondContact O-OD1 3.23Å |
| 458 | K | 97.9 | Very high | 94 | Very high | 96 Ų | 96 | 88 Ų | 88 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -150.7 | 145.3 | 176 | -159.7 | 178.6 | -179.3 | -170.3 | 0 | 110.4 | V452 V454 G455 K460 | V452-K458 HydrophobicContact CG1-CB 3.94Å; V452-K458 HydrophobicContact CG1-CD 4Å; V452-K458 HydrophobicContact CG2-CD 4.18Å; V454-K458 WeakPolarHBondContact CA-O 3.18Å; G455-K458 PolarHBondContact N-O 3.5Å; K458-K460 VanDerWaalsContact C-N 3.31Å |
| 459 | Y | 97.8 | Very high | 93.7 | Very high | 152 Ų | 152 | 87.5 Ų | 87.5 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 58.7 | 43.1 | -175.9 | -43.5 | -75.6 | 0 | 0 | 0 | 112 | V454 | V454-Y459 HydrophobicContact CG1-CD2 4.33Å; V454-Y459 HydrophobicContact CG2-CD2 4.27Å |
| 460 | K | 96.6 | Very high | 93.3 | Very high | 126 Ų | 126 | 88.3 Ų | 88.3 | 55% | 0.548 | 43% | 0.434 | S | S | . | . | trans | -67.5 | 147 | 177.3 | -49.1 | -167.3 | -165.5 | -144.5 | 0 | 110 | V456 K458 | V456-K460 VanDerWaalsContact O-CD 3.27Å; V456-K460 WeakPolarHBondContact O-CD 3.46Å; V456-K460 WeakPolarHBondContact O-CE 3.17Å; V456-K460 PolarHBondContact O-NZ 3.47Å; K458-K460 VanDerWaalsContact C-N 3.31Å | ||
| 461 | L | 95.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 90.8 Ų | 90.8 | 40% | 0.398 | 45% | 0.447 | S | S | . | . | trans | -74.6 | 152.9 | 167.2 | -62.5 | 176.5 | 0 | 0 | 0 | 109.7 | D329 H463 | D329-L461 HydrophobicContact CB-CD1 4.03Å; L461-H463 VanDerWaalsContact C-N 3.31Å; L461-H463 WeakPolarHBondContact CB-O 3.44Å | ||
| 462 | D | 94.3 | Very high | 92.6 | Very high | 157 Ų | 157 | 88.4 Ų | 88.4 | 84% | 0.84 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -71.4 | -33.2 | 171.5 | -67.8 | -32.4 | 0 | 0 | 0 | 110.7 | ||
| 463 | H | 91.7 | Very high | 92.2 | Very high | 164 Ų | 164 | 88.7 Ų | 88.7 | 76% | 0.759 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -143.5 | 136.7 | 176.4 | -59.6 | -65.5 | 0 | 0 | 0 | 109.7 | L461 | L461-H463 VanDerWaalsContact C-N 3.31Å; L461-H463 WeakPolarHBondContact CB-O 3.44Å |
| 464 | E | 91 | Very high | 91.8 | Very high | 81 Ų | 81 | 87.6 Ų | 87.6 | 38% | 0.379 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -83 | 142.3 | 173.3 | -61.7 | -64.1 | 153.9 | 0 | 0 | 110.3 | Q328 D329 | Q328-E464 WeakPolarHBondContact CB-OE1 3.38Å; D329-E464 PolarHBondContact N-OE2 3.07Å |
| 465 | D | 88.7 | Confident | 91.4 | Very high | 140 Ų | 140 | 88.6 Ų | 88.6 | 75% | 0.749 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -78 | 146 | 172.2 | -71.4 | -37.7 | 0 | 0 | 0 | 110.7 | T467 | D465-T467 PolarHBondContact O-N 2.88Š|
| 466 | E | 85.4 | Confident | 91.3 | Very high | 201 Ų | 201 | 92.1 Ų | 92.1 | 94% | 0.939 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 133.3 | 172.9 | -70.6 | -177.6 | -178.8 | 0 | 0 | 110.7 | ||
| 467 | T | 85.5 | Confident | 91.1 | Very high | 30 Ų | 30 | 91.6 Ų | 91.6 | 18% | 0.184 | 45% | 0.452 | C | S | . | . | trans | -118.3 | 129.8 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | F357 L361 D465 V469 | F357-T467 HydrophobicContact CE2-CG2 4.08Å; L361-T467 HydrophobicContact CD1-CG2 3.76Å; D465-T467 PolarHBondContact O-N 2.88Å; T467-V469 PolarHBondContact O-N 2.89Å | ||
| 468 | D | 86.3 | Confident | 91 | Very high | 147 Ų | 147 | 93 Ų | 93 | 79% | 0.786 | 45% | 0.454 | S | S | * | . | trans | -63.3 | 122.4 | 175.8 | -68.7 | -34.7 | 0 | 0 | 0 | 110.6 | ||||
| 469 | V | 87.2 | Confident | 90.9 | Very high | 30 Ų | 30 | 92.9 Ų | 92.9 | 18% | 0.182 | 46% | 0.458 | C | S | . | . | trans | -113.8 | 141.4 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | L361 T467 E471 | L361-V469 HydrophobicContact CB-CG2 3.79Å; T467-V469 PolarHBondContact O-N 2.89Å; V469-E471 PolarHBondContact O-N 3.31Å | ||
| 470 | L | 86.7 | Confident | 90.9 | Very high | 57 Ų | 57 | 90.7 Ų | 90.7 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | trans | -68.9 | 112.8 | 174.1 | -176.3 | 65.2 | 0 | 0 | 0 | 110.8 | F81 L363 | F81-L470 HydrophobicContact CD1-CD2 4.32Å; F81-L470 HydrophobicContact CD2-CD2 3.99Å; F81-L470 HydrophobicContact CE1-CD2 4.33Å; F81-L470 HydrophobicContact CE2-CD2 4Å; F81-L470 HydrophobicContact CG-CD2 4.17Å; F81-L470 HydrophobicContact CZ-CD2 4.17Å; L363-L470 HydrophobicContact CB-CD2 4.11Å | ||
| 471 | E | 86 | Confident | 90.9 | Very high | 146 Ų | 146 | 85.2 Ų | 85.2 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | trans | -91.1 | 129.5 | 171.3 | -171.7 | 169.9 | -161.5 | 0 | 0 | 110.8 | V469 K649 | V469-E471 PolarHBondContact O-N 3.31Å; E471-K649 IonicContact OE1-NZ 3.73Å; E471-K649 PolarHBondContact OE1-NZ 2.97Å | ||
| 472 | I | 87 | Confident | 91 | Very high | 16 Ų | 16 | 83.3 Ų | 83.3 | 8% | 0.082 | 42% | 0.42 | C | S | . | . | trans | -108.1 | 118.5 | 175.8 | -62.1 | 165.8 | 0 | 0 | 0 | 109.2 | F81 K127 L363 N474 V477 | F81-I472 HydrophobicContact CB-CD1 3.95Å; K127-I472 HydrophobicContact CD-CB 4.42Å; K127-I472 HydrophobicContact CD-CG2 4.49Å; K127-I472 PolarHBondContact NZ-O 3.08Å; K127-I472 WeakPolarHBondContact O-CD1 3.32Å; L363-I472 HydrophobicContact CD1-CD1 3.66Å; I472-N474 PolarHBondContact O-N 3.21Å; I472-N474 VanDerWaalsContact O-N 3.1Å; I472-V477 HydrophobicContact CG2-CG2 4.32Å | ||
| 473 | D | 89.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 78.4 Ų | 78.4 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | trans | -76 | 93.1 | 170.4 | -179.3 | -8.1 | 0 | 0 | 0 | 110 | V475 M476 V477 | D473-V475 PolarHBondContact O-N 3.09Å; D473-V475 WeakPolarHBondContact OD1-CB 3.19Å; D473-V475 PolarHBondContact OD1-N 3.39Å; D473-M476 HydrophobicContact CB-CB 4.19Å; D473-M476 HydrophobicContact CB-CE 4.13Å; D473-M476 PolarHBondContact O-N 3.27Å; D473-M476 PolarHBondContact OD1-N 3.36Å; D473-V477 WeakPolarHBondContact O-CG2 3.02Å; D473-V477 PolarHBondContact O-N 3.35Å | ||
| 474 | N | 89.9 | Confident | 91.5 | Very high | 15 Ų | 15 | 71.6 Ų | 71.6 | 8% | 0.08 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.7 | -22.7 | -179.9 | 73.1 | -67.2 | 0 | 0 | 0 | 113 | A122 K127 I472 R478 | A122-N474 PolarHBondContact O-ND2 2.86Å; K127-N474 HydrophobicContact CD-CB 3.97Å; K127-N474 HydrophobicContact CG-CB 4.21Å; K127-N474 PolarHBondContact NZ-OD1 3.01Å; I472-N474 PolarHBondContact O-N 3.21Å; I472-N474 VanDerWaalsContact O-N 3.1Å; N474-R478 WeakPolarHBondContact O-CB 3.36Å; N474-R478 PolarHBondContact O-N 2.95Å |
| 475 | V | 91 | Very high | 91.8 | Very high | 84 Ų | 84 | 67.9 Ų | 67.9 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.3 | -45.6 | 179 | 177.7 | 0 | 0 | 0 | 0 | 109 | D473 N479 | D473-V475 PolarHBondContact O-N 3.09Å; D473-V475 WeakPolarHBondContact OD1-CB 3.19Å; D473-V475 PolarHBondContact OD1-N 3.39Å; V475-N479 WeakPolarHBondContact O-CB 3.49Å; V475-N479 PolarHBondContact O-N 3.01Å; V475-N479 PolarHBondContact O-ND2 3.45Å; V475-N479 VanDerWaalsContact O-ND2 3.1Å |
| 476 | M | 94 | Very high | 92.3 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -53.2 | 172.3 | 177 | -175.5 | 52.3 | 0 | 0 | 111.3 | D473 R478 N479 E480 | D473-M476 HydrophobicContact CB-CB 4.19Å; D473-M476 HydrophobicContact CB-CE 4.13Å; D473-M476 PolarHBondContact O-N 3.27Å; D473-M476 PolarHBondContact OD1-N 3.36Å; M476-R478 VanDerWaalsContact C-N 3.35Å; M476-R478 PolarHBondContact O-N 3.16Å; M476-N479 PolarHBondContact O-N 2.93Å; M476-E480 PolarHBondContact O-N 2.96Å |
| 477 | V | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | -177.1 | 180 | 0 | 0 | 0 | 0 | 111.4 | S82 T83 V125 I472 D473 N479 E480 Q481 | S82-V477 WeakPolarHBondContact OG-CG2 3.36Å; T83-V477 HydrophobicContact CG2-CG1 4.11Å; T83-V477 HydrophobicContact CG2-CG2 4.11Å; V125-V477 HydrophobicContact CG1-CG1 4.19Å; I472-V477 HydrophobicContact CG2-CG2 4.32Å; D473-V477 WeakPolarHBondContact O-CG2 3.02Å; D473-V477 PolarHBondContact O-N 3.35Å; V477-N479 PolarHBondContact O-N 2.9Å; V477-E480 PolarHBondContact O-N 3.26Å; V477-Q481 WeakPolarHBondContact O-CG 3.45Å; V477-Q481 PolarHBondContact O-N 3.49Å |
| 478 | R | 94.8 | Very high | 93.5 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 178.8 | -178.5 | 178.6 | 173 | -149.4 | -3.2 | 111.8 | V125 N474 M476 E480 Q481 I482 | V125-R478 HydrophobicContact CB-CB 4.26Å; V125-R478 HydrophobicContact CG1-CB 4.23Å; V125-R478 HydrophobicContact CG2-CG 4.38Å; N474-R478 WeakPolarHBondContact O-CB 3.36Å; N474-R478 PolarHBondContact O-N 2.95Å; M476-R478 VanDerWaalsContact C-N 3.35Å; M476-R478 PolarHBondContact O-N 3.16Å; R478-E480 VanDerWaalsContact C-N 3.34Å; R478-E480 PolarHBondContact O-N 3.32Å; R478-Q481 PolarHBondContact O-N 2.98Å; R478-I482 HydrophobicContact CG-CD1 3.77Å; R478-I482 HydrophobicContact CG-CG1 4.35Å; R478-I482 WeakPolarHBondContact O-CB 3.49Å; R478-I482 VanDerWaalsContact O-CG1 3.25Å; R478-I482 WeakPolarHBondContact O-CG1 3.12Å; R478-I482 PolarHBondContact O-N 3.08Å |
| 479 | N | 96.2 | Very high | 94.1 | Very high | 93 Ų | 93 | 59 Ų | 59 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.8 | -71.1 | -24.1 | 0 | 0 | 0 | 112.1 | V475 M476 V477 A483 | V475-N479 WeakPolarHBondContact O-CB 3.49Å; V475-N479 PolarHBondContact O-N 3.01Å; V475-N479 PolarHBondContact O-ND2 3.45Å; V475-N479 VanDerWaalsContact O-ND2 3.1Å; M476-N479 PolarHBondContact O-N 2.93Å; V477-N479 PolarHBondContact O-N 2.9Å; N479-A483 WeakPolarHBondContact O-CB 3.36Å; N479-A483 PolarHBondContact O-N 2.88Å |
| 480 | E | 96.3 | Very high | 94.6 | Very high | 106 Ų | 106 | 61.7 Ų | 61.7 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.5 | -71.6 | -168.4 | 175.9 | 0 | 0 | 111.9 | M476 V477 R478 A483 S484 | M476-E480 PolarHBondContact O-N 2.96Å; V477-E480 PolarHBondContact O-N 3.26Å; R478-E480 VanDerWaalsContact C-N 3.34Å; R478-E480 PolarHBondContact O-N 3.32Å; E480-A483 PolarHBondContact O-N 3.43Å; E480-S484 PolarHBondContact O-N 3.46Å |
| 481 | Q | 97.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 178.3 | -71.7 | -63.5 | 9.7 | 0 | 0 | 112.8 | S116 A131 D133 D137 V477 R478 A483 S484 L485 | S116-Q481 VanDerWaalsContact CB-CB 3.5Å; S116-Q481 WeakPolarHBondContact OG-CB 3.2Å; A131-Q481 HydrophobicContact CB-CG 3.96Å; A131-Q481 PolarHBondContact O-NE2 2.72Å; D133-Q481 PolarHBondContact OD2-OE1 3.04Å; D137-Q481 PolarHBondContact OD1-OE1 2.62Å; V477-Q481 WeakPolarHBondContact O-CG 3.45Å; V477-Q481 PolarHBondContact O-N 3.49Å; R478-Q481 PolarHBondContact O-N 2.98Å; Q481-A483 VanDerWaalsContact C-N 3.33Å; Q481-A483 PolarHBondContact O-N 3.24Å; Q481-S484 WeakPolarHBondContact O-CB 3.43Å; Q481-S484 PolarHBondContact O-N 3.26Å; Q481-S484 VanDerWaalsContact O-N 3.11Å; Q481-L485 PolarHBondContact O-N 2.95Å |
| 482 | I | 98.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | 174.8 | -69.5 | 170.4 | 0 | 0 | 0 | 110.3 | D117 R478 S484 L485 E486 | D117-I482 HydrophobicContact CB-CG1 3.85Å; R478-I482 HydrophobicContact CG-CD1 3.77Å; R478-I482 HydrophobicContact CG-CG1 4.35Å; R478-I482 WeakPolarHBondContact O-CB 3.49Å; R478-I482 VanDerWaalsContact O-CG1 3.25Å; R478-I482 WeakPolarHBondContact O-CG1 3.12Å; R478-I482 PolarHBondContact O-N 3.08Å; I482-S484 VanDerWaalsContact C-N 3.29Å; I482-S484 PolarHBondContact O-N 3.24Å; I482-L485 WeakPolarHBondContact O-CB 3.38Å; I482-L485 PolarHBondContact O-N 3.42Å; I482-E486 HydrophobicContact CG2-CG 4.38Å; I482-E486 WeakPolarHBondContact O-CG 3.14Å; I482-E486 PolarHBondContact O-N 2.86Å |
| 483 | A | 98 | Very high | 96.2 | Very high | 53 Ų | 53 | 63 Ų | 63 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N479 E480 Q481 R487 | N479-A483 WeakPolarHBondContact O-CB 3.36Å; N479-A483 PolarHBondContact O-N 2.88Å; E480-A483 PolarHBondContact O-N 3.43Å; Q481-A483 VanDerWaalsContact C-N 3.33Å; Q481-A483 PolarHBondContact O-N 3.24Å; A483-R487 WeakPolarHBondContact O-CB 3.44Å; A483-R487 PolarHBondContact O-N 3.01Å; A483-R487 VanDerWaalsContact O-N 3.16Å |
| 484 | S | 97.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 173.9 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | E480 Q481 I482 R487 I488 | E480-S484 PolarHBondContact O-N 3.46Å; Q481-S484 WeakPolarHBondContact O-CB 3.43Å; Q481-S484 PolarHBondContact O-N 3.26Å; Q481-S484 VanDerWaalsContact O-N 3.11Å; I482-S484 VanDerWaalsContact C-N 3.29Å; I482-S484 PolarHBondContact O-N 3.24Å; S484-R487 PolarHBondContact O-N 2.66Å; S484-I488 WeakPolarHBondContact O-CG1 3.2Å; S484-I488 PolarHBondContact O-N 3.29Å |
| 485 | L | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 176.3 | -82.7 | 170.2 | 0 | 0 | 0 | 112.1 | D115 D117 D133 T134 Q481 I482 R487 I488 R489 T527 | D115-L485 HydrophobicContact CB-CD1 4.05Å; D117-L485 HydrophobicContact CB-CD1 4.07Å; D133-L485 HydrophobicContact CB-CD1 4.25Å; D133-L485 HydrophobicContact CB-CD2 3.8Å; D133-L485 HydrophobicContact CB-CG 4.07Å; T134-L485 HydrophobicContact CG2-CD2 4.24Å; Q481-L485 PolarHBondContact O-N 2.95Å; I482-L485 WeakPolarHBondContact O-CB 3.38Å; I482-L485 PolarHBondContact O-N 3.42Å; L485-R487 VanDerWaalsContact C-N 3.32Å; L485-R487 PolarHBondContact O-N 2.82Å; L485-I488 PolarHBondContact O-N 2.84Å; L485-R489 WeakPolarHBondContact O-CB 3.41Å; L485-R489 WeakPolarHBondContact O-CG 3.08Å; L485-R489 PolarHBondContact O-N 3.19Å; L485-T527 HydrophobicContact CD2-CG2 3.65Å |
| 486 | E | 98.4 | Very high | 97.4 | Very high | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.6 | -45.8 | 176.8 | -75 | 179.6 | 166.5 | 0 | 0 | 111.4 | I482 A490 | I482-E486 HydrophobicContact CG2-CG 4.38Å; I482-E486 WeakPolarHBondContact O-CG 3.14Å; I482-E486 PolarHBondContact O-N 2.86Å; E486-A490 VanDerWaalsContact O-CB 3.24Å; E486-A490 WeakPolarHBondContact O-CB 3.48Å; E486-A490 PolarHBondContact O-N 2.9Å |
| 487 | R | 98.3 | Very high | 97.6 | Very high | 128 Ų | 128 | 59.4 Ų | 59.4 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 177.5 | -178.4 | -175 | 59.6 | 76.9 | 5.6 | 112.2 | A483 S484 L485 A490 T491 | A483-R487 WeakPolarHBondContact O-CB 3.44Å; A483-R487 PolarHBondContact O-N 3.01Å; A483-R487 VanDerWaalsContact O-N 3.16Å; S484-R487 PolarHBondContact O-N 2.66Å; L485-R487 VanDerWaalsContact C-N 3.32Å; L485-R487 PolarHBondContact O-N 2.82Å; R487-A490 PolarHBondContact O-N 3.39Å; R487-T491 WeakPolarHBondContact O-CB 3.29Å; R487-T491 WeakPolarHBondContact O-CG2 3.15Å; R487-T491 PolarHBondContact O-N 3.06Å; R487-T491 PolarHBondContact O-OG1 2.82Å |
| 488 | I | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -47.7 | -179.7 | -68.1 | -62 | 0 | 0 | 0 | 111.1 | T134 E136 S484 L485 A490 T491 R492 R525 | T134-I488 HydrophobicContact CG2-CG2 4.33Å; E136-I488 HydrophobicContact CB-CD1 4.5Å; E136-I488 HydrophobicContact CG-CD1 3.64Å; E136-I488 HydrophobicContact CG-CG1 4.44Å; S484-I488 WeakPolarHBondContact O-CG1 3.2Å; S484-I488 PolarHBondContact O-N 3.29Å; L485-I488 PolarHBondContact O-N 2.84Å; I488-A490 PolarHBondContact O-N 3.47Å; I488-T491 PolarHBondContact O-N 3.29Å; I488-T491 PolarHBondContact O-OG1 3.06Å; I488-R492 WeakPolarHBondContact O-CB 3.39Å; I488-R492 WeakPolarHBondContact O-CG 3.44Å; I488-R492 PolarHBondContact O-N 3.12Å; I488-R525 HydrophobicContact CG2-CB 3.94Å; I488-R525 HydrophobicContact CG2-CG 4.31Å |
| 489 | R | 98.3 | Very high | 98 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 27% | 0.268 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -34.1 | 175.7 | -66.8 | -179.7 | -172.3 | 149.1 | 2.5 | 111.5 | D115 D117 L485 T491 | D115-R489 IonicContact OD2-NH2 3.26Å; D115-R489 PolarHBondContact OD2-NH2 3.29Å; D117-R489 IonicContact OD1-NH2 3.72Å; D117-R489 PolarHBondContact OD1-NH2 2.97Å; D117-R489 IonicContact OD2-CZ 3.87Å; D117-R489 IonicContact OD2-NH1 3.85Å; D117-R489 PolarHBondContact OD2-NH1 3.33Å; D117-R489 IonicContact OD2-NH2 2.82Å; D117-R489 PolarHBondContact OD2-NH2 3.05Å; D117-R489 VanDerWaalsContact OD2-NH2 3.1Å; L485-R489 WeakPolarHBondContact O-CB 3.41Å; L485-R489 WeakPolarHBondContact O-CG 3.08Å; L485-R489 PolarHBondContact O-N 3.19Å; R489-T491 PolarHBondContact O-N 3.44Å |
| 490 | A | 98 | Very high | 98.1 | Very high | 85 Ų | 85 | 58 Ų | 58 | 70% | 0.702 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.4 | -16.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E486 R487 I488 | E486-A490 VanDerWaalsContact O-CB 3.24Å; E486-A490 WeakPolarHBondContact O-CB 3.48Å; E486-A490 PolarHBondContact O-N 2.9Å; R487-A490 PolarHBondContact O-N 3.39Å; I488-A490 PolarHBondContact O-N 3.47Å |
| 491 | T | 97.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 62% | 0.62 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -119.1 | -15.1 | -170.9 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | R487 I488 R489 | R487-T491 WeakPolarHBondContact O-CB 3.29Å; R487-T491 WeakPolarHBondContact O-CG2 3.15Å; R487-T491 PolarHBondContact O-N 3.06Å; R487-T491 PolarHBondContact O-OG1 2.82Å; I488-T491 PolarHBondContact O-N 3.29Å; I488-T491 PolarHBondContact O-OG1 3.06Å; R489-T491 PolarHBondContact O-N 3.44Å |
| 492 | R | 97.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 17% | 0.166 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -78.5 | 167.7 | 178.4 | 72.9 | -170.4 | -172.2 | 175 | -1.7 | 112.5 | I488 D494 V497 R525 E530 | I488-R492 WeakPolarHBondContact O-CB 3.39Å; I488-R492 WeakPolarHBondContact O-CG 3.44Å; I488-R492 PolarHBondContact O-N 3.12Å; R492-D494 WeakPolarHBondContact CG-OD1 3.38Å; R492-D494 IonicContact CZ-OD1 3.29Å; R492-D494 IonicContact NE-OD1 2.87Å; R492-D494 PolarHBondContact NE-OD1 3.3Å; R492-D494 IonicContact NH2-OD1 3.45Å; R492-D494 PolarHBondContact O-N 3.5Å; R492-V497 HydrophobicContact CG-CG2 4.21Å; R492-R525 HydrophobicContact CB-CB 4.17Å; R492-R525 WeakPolarHBondContact CD-O 3.4Å; R492-R525 PolarHBondContact NH1-O 3.29Å; R492-E530 IonicContact CZ-OE1 3.34Å; R492-E530 IonicContact CZ-OE2 2.94Å; R492-E530 IonicContact NH1-OE1 2.74Å; R492-E530 PolarHBondContact NH1-OE1 2.79Å; R492-E530 IonicContact NH1-OE2 2.78Å; R492-E530 PolarHBondContact NH1-OE2 2.84Å; R492-E530 IonicContact NH2-OE1 2.91Å; R492-E530 PolarHBondContact NH2-OE1 3.23Å; R492-E530 IonicContact NH2-OE2 2.72Å |
| 493 | D | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 59 Ų | 59 | 54% | 0.54 | 35% | 0.349 | S | S | . | . | trans | -85.1 | 95.5 | 170.7 | -178.1 | -15.1 | 0 | 0 | 0 | 109.9 | A495 A496 V497 | D493-A495 PolarHBondContact O-N 3.24Å; D493-A495 WeakPolarHBondContact OD1-CB 3.42Å; D493-A495 PolarHBondContact OD1-N 3.02Å; D493-A496 HydrophobicContact CB-CB 3.9Å; D493-A496 PolarHBondContact O-N 3.34Å; D493-A496 VanDerWaalsContact O-N 3.15Å; D493-A496 PolarHBondContact OD1-N 2.99Å; D493-V497 WeakPolarHBondContact O-CG2 3.4Å; D493-V497 PolarHBondContact O-N 3.27Å | ||
| 494 | D | 97.8 | Very high | 98.3 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -27.3 | -177.9 | -77.1 | -26.2 | 0 | 0 | 0 | 113.6 | R492 T498 | R492-D494 WeakPolarHBondContact CG-OD1 3.38Å; R492-D494 IonicContact CZ-OD1 3.29Å; R492-D494 IonicContact NE-OD1 2.87Å; R492-D494 PolarHBondContact NE-OD1 3.3Å; R492-D494 IonicContact NH2-OD1 3.45Å; R492-D494 PolarHBondContact O-N 3.5Å; D494-T498 WeakPolarHBondContact O-CB 3.46Å; D494-T498 PolarHBondContact O-N 3.24Å; D494-T498 PolarHBondContact O-OG1 2.81Å |
| 495 | A | 98.5 | Very high | 98.4 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -71.1 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D493 T498 A499 | D493-A495 PolarHBondContact O-N 3.24Å; D493-A495 WeakPolarHBondContact OD1-CB 3.42Å; D493-A495 PolarHBondContact OD1-N 3.02Å; A495-T498 PolarHBondContact O-N 3.32Å; A495-A499 WeakPolarHBondContact O-CB 3.36Å; A495-A499 PolarHBondContact O-N 3.24Å |
| 496 | A | 98.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 60 Ų | 60 | 24% | 0.24 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D493 A499 A500 V524 | D493-A496 HydrophobicContact CB-CB 3.9Å; D493-A496 PolarHBondContact O-N 3.34Å; D493-A496 VanDerWaalsContact O-N 3.15Å; D493-A496 PolarHBondContact OD1-N 2.99Å; A496-A499 PolarHBondContact O-N 2.99Å; A496-A500 WeakPolarHBondContact O-CB 3.35Å; A496-A500 PolarHBondContact O-N 3.15Å; A496-V524 HydrophobicContact CB-CB 4.29Å; A496-V524 HydrophobicContact CB-CG1 4.05Å |
| 497 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.4 | -52.8 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | R492 D493 A499 A500 L501 V524 A526 | R492-V497 HydrophobicContact CG-CG2 4.21Å; D493-V497 WeakPolarHBondContact O-CG2 3.4Å; D493-V497 PolarHBondContact O-N 3.27Å; V497-A499 VanDerWaalsContact C-N 3.28Å; V497-A499 PolarHBondContact O-N 3.06Å; V497-A500 PolarHBondContact O-N 3.35Å; V497-A500 VanDerWaalsContact O-N 3.08Å; V497-L501 HydrophobicContact CG1-CD1 3.75Å; V497-L501 HydrophobicContact CG1-CG 4.23Å; V497-L501 WeakPolarHBondContact O-CG 3.44Å; V497-L501 PolarHBondContact O-N 3.41Å; V497-V524 HydrophobicContact CG2-CB 4.32Å; V497-V524 HydrophobicContact CG2-CG2 4.08Å; V497-V524 WeakPolarHBondContact CG2-O 3.1Å; V497-A526 HydrophobicContact CG1-CB 4.11Å |
| 498 | T | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 48.1 Ų | 48.1 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57 | -43.2 | 179.5 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | D494 A495 N502 | D494-T498 WeakPolarHBondContact O-CB 3.46Å; D494-T498 PolarHBondContact O-N 3.24Å; D494-T498 PolarHBondContact O-OG1 2.81Å; A495-T498 PolarHBondContact O-N 3.32Å; T498-N502 WeakPolarHBondContact O-CB 3.42Å; T498-N502 PolarHBondContact O-N 3.19Å; T498-N502 PolarHBondContact O-ND2 2.98Å |
| 499 | A | 98.7 | Very high | 98.2 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 49% | 0.488 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A495 A496 V497 A503 | A495-A499 WeakPolarHBondContact O-CB 3.36Å; A495-A499 PolarHBondContact O-N 3.24Å; A496-A499 PolarHBondContact O-N 2.99Å; V497-A499 VanDerWaalsContact C-N 3.28Å; V497-A499 PolarHBondContact O-N 3.06Å; A499-A503 WeakPolarHBondContact O-CB 3.46Å; A499-A503 PolarHBondContact O-N 3.4Å |
| 500 | A | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A496 V497 A503 L504 A521 V524 | A496-A500 WeakPolarHBondContact O-CB 3.35Å; A496-A500 PolarHBondContact O-N 3.15Å; V497-A500 PolarHBondContact O-N 3.35Å; V497-A500 VanDerWaalsContact O-N 3.08Å; A500-A503 PolarHBondContact O-N 2.74Å; A500-L504 PolarHBondContact O-N 3.2Å; A500-A521 HydrophobicContact CB-CB 4.15Å; A500-V524 HydrophobicContact CB-CG2 3.71Å |
| 501 | L | 98.7 | Very high | 97.6 | Very high | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 175.5 | -65.9 | 174.8 | 0 | 0 | 0 | 111.4 | V497 A503 L504 T505 A521 A526 E530 I531 A534 | V497-L501 HydrophobicContact CG1-CD1 3.75Å; V497-L501 HydrophobicContact CG1-CG 4.23Å; V497-L501 WeakPolarHBondContact O-CG 3.44Å; V497-L501 PolarHBondContact O-N 3.41Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.07Å; L501-L504 WeakPolarHBondContact O-CB 3.27Å; L501-L504 PolarHBondContact O-N 2.93Å; L501-L504 VanDerWaalsContact O-N 3.07Å; L501-T505 PolarHBondContact O-N 3.05Å; L501-T505 PolarHBondContact O-OG1 3.34Å; L501-A521 HydrophobicContact CD2-CB 4.46Å; L501-A526 HydrophobicContact CD2-CB 3.96Å; L501-A526 HydrophobicContact CG-CB 4.41Å; L501-E530 HydrophobicContact CD1-CB 3.85Å; L501-E530 HydrophobicContact CD1-CG 4.34Å; L501-E530 HydrophobicContact CD2-CB 4.1Å; L501-E530 WeakPolarHBondContact CD2-O 3.34Å; L501-I531 HydrophobicContact CD2-CG1 4.14Å; L501-A534 HydrophobicContact CB-CB 4.29Å; L501-A534 HydrophobicContact CD2-CB 4.12Å |
| 502 | N | 98.5 | Very high | 97.5 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.8 | -38.4 | 174.2 | -73.9 | -24.6 | 0 | 0 | 0 | 112.1 | T498 L504 T505 H506 | T498-N502 WeakPolarHBondContact O-CB 3.42Å; T498-N502 PolarHBondContact O-N 3.19Å; T498-N502 PolarHBondContact O-ND2 2.98Å; N502-L504 VanDerWaalsContact C-N 3.33Å; N502-T505 PolarHBondContact O-N 3.27Å; N502-H506 WeakPolarHBondContact O-CB 3.36Å; N502-H506 PolarHBondContact O-N 2.54Å |
| 503 | A | 98.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A499 A500 L501 H506 A507 | A499-A503 WeakPolarHBondContact O-CB 3.46Å; A499-A503 PolarHBondContact O-N 3.4Å; A500-A503 PolarHBondContact O-N 2.74Å; L501-A503 VanDerWaalsContact C-N 3.29Å; L501-A503 PolarHBondContact O-N 3.07Å; A503-H506 PolarHBondContact O-N 3.33Å; A503-A507 WeakPolarHBondContact O-CB 3.46Å; A503-A507 PolarHBondContact O-N 2.93Å |
| 504 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 174.3 | -178.3 | 62.4 | 0 | 0 | 0 | 112 | A500 L501 N502 H506 A507 A508 L514 A517 I531 A534 L535 | A500-L504 PolarHBondContact O-N 3.2Å; L501-L504 WeakPolarHBondContact O-CB 3.27Å; L501-L504 PolarHBondContact O-N 2.93Å; L501-L504 VanDerWaalsContact O-N 3.07Å; N502-L504 VanDerWaalsContact C-N 3.33Å; L504-H506 VanDerWaalsContact C-N 3.32Å; L504-H506 PolarHBondContact O-N 3.37Å; L504-A507 WeakPolarHBondContact O-CB 3.24Å; L504-A507 PolarHBondContact O-N 3.21Å; L504-A508 PolarHBondContact O-N 3.07Å; L504-L514 HydrophobicContact CD1-CD2 4.17Å; L504-A517 HydrophobicContact CB-CB 4.23Å; L504-A517 HydrophobicContact CD1-CB 3.6Å; L504-I531 HydrophobicContact CD2-CB 4.39Å; L504-I531 HydrophobicContact CD2-CG2 3.68Å; L504-A534 HydrophobicContact CD2-CB 4.26Å; L504-L535 HydrophobicContact CD1-CD2 3.87Å; L504-L535 HydrophobicContact CD2-CD1 4.48Å; L504-L535 HydrophobicContact CD2-CD2 4.26Å; L504-L535 HydrophobicContact CD2-CG 4.05Å; L504-L535 HydrophobicContact CG-CD2 3.86Å; L504-L535 HydrophobicContact CG-CG 4.18Å |
| 505 | T | 98.5 | Very high | 97.5 | Very high | 20 Ų | 20 | 48 Ų | 48 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 173.3 | -55 | 0 | 0 | 0 | 0 | 111.2 | L501 N502 A507 A508 Q509 A534 V537 | L501-T505 PolarHBondContact O-N 3.05Å; L501-T505 PolarHBondContact O-OG1 3.34Å; N502-T505 PolarHBondContact O-N 3.27Å; T505-A507 PolarHBondContact O-N 3.49Å; T505-A508 WeakPolarHBondContact O-CB 3.3Å; T505-A508 PolarHBondContact O-N 2.88Å; T505-Q509 WeakPolarHBondContact O-CG 3.47Å; T505-Q509 PolarHBondContact O-N 3.42Å; T505-Q509 VanDerWaalsContact O-N 3.09Å; T505-A534 PolarHBondContact OG1-O 3.5Å; T505-V537 HydrophobicContact CG2-CB 4.3Å; T505-V537 HydrophobicContact CG2-CG1 3.89Å |
| 506 | H | 98.3 | Very high | 97.5 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 174.3 | 179.2 | -85.1 | 0 | 0 | 0 | 111.5 | N502 A503 L504 A508 Q509 H510 E512 | N502-H506 WeakPolarHBondContact O-CB 3.36Å; N502-H506 PolarHBondContact O-N 2.54Å; A503-H506 PolarHBondContact O-N 3.33Å; L504-H506 VanDerWaalsContact C-N 3.32Å; L504-H506 PolarHBondContact O-N 3.37Å; H506-A508 VanDerWaalsContact C-N 3.3Å; H506-A508 PolarHBondContact O-N 2.95Å; H506-Q509 PolarHBondContact O-N 3.21Å; H506-H510 AromaticContact CD2-CE1 3.56Å; H506-H510 AromaticContact CD2-ND1 3.38Å; H506-H510 PolarHBondContact CD2-ND1 3.04Å; H506-H510 AromaticContact CE1-CG 3.78Å; H506-H510 AromaticContact CE1-ND1 3.64Å; H506-H510 AromaticContact CG-ND1 3.66Å; H506-H510 AromaticContact ND1-ND1 3.82Å; H506-H510 AromaticContact NE2-CE1 3.64Å; H506-H510 AromaticContact NE2-CG 3.76Å; H506-H510 AromaticContact NE2-ND1 3.38Å; H506-H510 PolarHBondContact NE2-ND1 3.25Å; H506-H510 WeakPolarHBondContact O-CB 3.4Å; H506-H510 PolarHBondContact O-N 2.67Å; H506-H510 PolarHBondContact O-ND1 3.18Å; H506-E512 IonicContact CE1-OE1 3.73Å; H506-E512 PolarHBondContact CE1-OE1 3.1Å; H506-E512 IonicContact CE1-OE2 2.81Å; H506-E512 IonicContact ND1-OE1 3.26Å; H506-E512 IonicContact ND1-OE2 3.52Å; H506-E512 PolarHBondContact ND1-OE2 3.47Å; H506-E512 VanDerWaalsContact ND1-OE2 3.11Å |
| 507 | A | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R208 A503 L504 T505 Q509 H510 N511 E512 L514 A517 | R208-A507 PolarHBondContact NH2-O 2.84Å; A503-A507 WeakPolarHBondContact O-CB 3.46Å; A503-A507 PolarHBondContact O-N 2.93Å; L504-A507 WeakPolarHBondContact O-CB 3.24Å; L504-A507 PolarHBondContact O-N 3.21Å; T505-A507 PolarHBondContact O-N 3.49Å; A507-Q509 PolarHBondContact O-N 3.18Å; A507-H510 PolarHBondContact O-N 2.76Å; A507-N511 PolarHBondContact O-N 3.14Å; A507-E512 HydrophobicContact CB-CB 3.77Å; A507-E512 PolarHBondContact O-N 3.41Å; A507-L514 HydrophobicContact CB-CD2 4.02Å; A507-A517 HydrophobicContact CB-CB 4.24Å |
| 508 | A | 97.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -32.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R208 L504 T505 H506 L514 L535 A538 F539 | R208-A508 PolarHBondContact NH1-O 2.79Å; L504-A508 PolarHBondContact O-N 3.07Å; T505-A508 WeakPolarHBondContact O-CB 3.3Å; T505-A508 PolarHBondContact O-N 2.88Å; H506-A508 VanDerWaalsContact C-N 3.3Å; H506-A508 PolarHBondContact O-N 2.95Å; A508-L514 HydrophobicContact CB-CD2 3.95Å; A508-L535 HydrophobicContact CB-CD2 4.06Å; A508-A538 HydrophobicContact CB-CB 3.59Å; A508-F539 HydrophobicContact CB-CE1 3.87Å; A508-F539 HydrophobicContact CB-CE2 4.14Å; A508-F539 HydrophobicContact CB-CZ 3.55Å |
| 509 | Q | 96.3 | Very high | 97.5 | Very high | 111 Ų | 111 | 42.4 Ų | 42.4 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -86.1 | -25.5 | 178.2 | -67.8 | 170.1 | -10.5 | 0 | 0 | 113.9 | T505 H506 A507 A538 | T505-Q509 WeakPolarHBondContact O-CG 3.47Å; T505-Q509 PolarHBondContact O-N 3.42Å; T505-Q509 VanDerWaalsContact O-N 3.09Å; H506-Q509 PolarHBondContact O-N 3.21Å; A507-Q509 PolarHBondContact O-N 3.18Å; Q509-A538 HydrophobicContact CG-CB 4.03Å |
| 510 | H | 95.1 | Very high | 97.5 | Very high | 106 Ų | 106 | 43 Ų | 43 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -119.3 | 18.1 | -167.8 | -59.6 | 88 | 0 | 0 | 0 | 115.4 | H506 A507 E512 | H506-H510 AromaticContact CD2-CE1 3.56Å; H506-H510 AromaticContact CD2-ND1 3.38Å; H506-H510 PolarHBondContact CD2-ND1 3.04Å; H506-H510 AromaticContact CE1-CG 3.78Å; H506-H510 AromaticContact CE1-ND1 3.64Å; H506-H510 AromaticContact CG-ND1 3.66Å; H506-H510 AromaticContact ND1-ND1 3.82Å; H506-H510 AromaticContact NE2-CE1 3.64Å; H506-H510 AromaticContact NE2-CG 3.76Å; H506-H510 AromaticContact NE2-ND1 3.38Å; H506-H510 PolarHBondContact NE2-ND1 3.25Å; H506-H510 WeakPolarHBondContact O-CB 3.4Å; H506-H510 PolarHBondContact O-N 2.67Å; H506-H510 PolarHBondContact O-ND1 3.18Å; A507-H510 PolarHBondContact O-N 2.76Å; H510-E512 VanDerWaalsContact C-N 3.27Å; H510-E512 PolarHBondContact O-N 3.04Å |
| 511 | N | 87.6 | Confident | 97.5 | Very high | 132 Ų | 132 | 42.9 Ų | 42.9 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 32.8 | 177.9 | -64.2 | -33.3 | 0 | 0 | 0 | 114.6 | R208 A507 | R208-N511 PolarHBondContact NH1-OD1 3.49Å; R208-N511 VanDerWaalsContact NH2-CA 3.32Å; A507-N511 PolarHBondContact O-N 3.14Å |
| 512 | E | 96.2 | Very high | 97.5 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 44% | 0.444 | 23% | 0.226 | S | C | . | . | trans | -85.9 | 159.3 | 166.1 | -55 | 170.8 | 160.2 | 0 | 0 | 109.6 | R208 H506 A507 H510 L514 | R208-E512 PolarHBondContact NH2-O 3.16Å; R208-E512 VanDerWaalsContact NH2-O 3.13Å; H506-E512 IonicContact CE1-OE1 3.73Å; H506-E512 PolarHBondContact CE1-OE1 3.1Å; H506-E512 IonicContact CE1-OE2 2.81Å; H506-E512 IonicContact ND1-OE1 3.26Å; H506-E512 IonicContact ND1-OE2 3.52Å; H506-E512 PolarHBondContact ND1-OE2 3.47Å; H506-E512 VanDerWaalsContact ND1-OE2 3.11Å; A507-E512 HydrophobicContact CB-CB 3.77Å; A507-E512 PolarHBondContact O-N 3.41Å; H510-E512 VanDerWaalsContact C-N 3.27Å; H510-E512 PolarHBondContact O-N 3.04Å; E512-L514 PolarHBondContact O-N 3.33Å | ||
| 513 | N | 96.9 | Very high | 97.5 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | trans | -70.2 | 117.2 | -174 | -173.5 | -87.5 | 0 | 0 | 0 | 112 | D212 L515 A516 A517 | D212-N513 PolarHBondContact O-ND2 3.49Å; N513-L515 PolarHBondContact O-N 3.25Å; N513-L515 PolarHBondContact OD1-N 3.4Å; N513-A516 HydrophobicContact CB-CB 4.3Å; N513-A516 PolarHBondContact O-N 3.29Å; N513-A516 PolarHBondContact OD1-N 3.4Å; N513-A517 PolarHBondContact O-N 2.9Å | ||
| 514 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.7 | -35 | -174.2 | -63.7 | 173.4 | 0 | 0 | 0 | 113.9 | L161 I209 D212 L504 A507 A508 E512 A517 A518 L535 F539 | L161-L514 HydrophobicContact CD1-CB 3.83Å; L161-L514 HydrophobicContact CD1-CD1 4.37Å; L161-L514 HydrophobicContact CD2-CB 4.13Å; I209-L514 HydrophobicContact CG1-CD1 3.7Å; D212-L514 HydrophobicContact CB-CB 4.48Å; D212-L514 VanDerWaalsContact OD2-CG 3.26Å; D212-L514 WeakPolarHBondContact OD2-CG 3.41Å; D212-L514 PolarHBondContact OD2-N 3.01Å; L504-L514 HydrophobicContact CD1-CD2 4.17Å; A507-L514 HydrophobicContact CB-CD2 4.02Å; A508-L514 HydrophobicContact CB-CD2 3.95Å; E512-L514 PolarHBondContact O-N 3.33Å; L514-A517 PolarHBondContact O-N 2.69Å; L514-A518 WeakPolarHBondContact O-CB 3.45Å; L514-A518 PolarHBondContact O-N 2.88Å; L514-L535 HydrophobicContact CD2-CD2 3.93Å; L514-F539 HydrophobicContact CD1-CE2 4.04Å; L514-F539 HydrophobicContact CD1-CZ 4.01Å |
| 515 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.9 | -178.1 | 59.5 | 0 | 0 | 0 | 111.1 | L161 L164 I168 I213 W216 N513 A517 A518 V519 | L161-L515 HydrophobicContact CD2-CB 3.92Å; L161-L515 HydrophobicContact CD2-CD1 4.14Å; L164-L515 HydrophobicContact CB-CD1 4.28Å; L164-L515 HydrophobicContact CD2-CD1 3.99Å; L164-L515 HydrophobicContact CD2-CD2 3.71Å; L164-L515 HydrophobicContact CG-CD1 4.08Å; L164-L515 HydrophobicContact CG-CD2 4.4Å; I168-L515 HydrophobicContact CD1-CD1 4.43Å; I168-L515 HydrophobicContact CD1-CD2 4.44Å; I213-L515 HydrophobicContact CG1-CB 4.39Å; I213-L515 HydrophobicContact CG1-CD2 4.31Å; W216-L515 HydrophobicContact CB-CB 4.35Å; W216-L515 HydrophobicContact CB-CD2 4.06Å; W216-L515 HydrophobicContact CD2-CD2 3.85Å; W216-L515 HydrophobicContact CD2-CG 4.26Å; W216-L515 HydrophobicContact CE3-CD2 3.53Å; W216-L515 HydrophobicContact CE3-CG 4.31Å; W216-L515 HydrophobicContact CG-CB 4.39Å; W216-L515 HydrophobicContact CG-CD2 4.08Å; W216-L515 HydrophobicContact CG-CG 4.37Å; W216-L515 HydrophobicContact CZ3-CD2 4.27Å; N513-L515 PolarHBondContact O-N 3.25Å; N513-L515 PolarHBondContact OD1-N 3.4Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 3.26Å; L515-A518 PolarHBondContact O-N 3.4Å; L515-V519 HydrophobicContact CD1-CG2 4.12Å; L515-V519 HydrophobicContact CG-CG2 4.33Å; L515-V519 VanDerWaalsContact O-CG2 3.24Å; L515-V519 WeakPolarHBondContact O-CG2 3.44Å; L515-V519 PolarHBondContact O-N 2.99Å |
| 516 | A | 98.3 | Very high | 97.5 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.2 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N513 N520 | N513-A516 HydrophobicContact CB-CB 4.3Å; N513-A516 PolarHBondContact O-N 3.29Å; N513-A516 PolarHBondContact OD1-N 3.4Å; A516-N520 PolarHBondContact O-N 3.04Å |
| 517 | A | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L504 A507 N513 L514 L515 V519 N520 A521 | L504-A517 HydrophobicContact CB-CB 4.23Å; L504-A517 HydrophobicContact CD1-CB 3.6Å; A507-A517 HydrophobicContact CB-CB 4.24Å; N513-A517 PolarHBondContact O-N 2.9Å; L514-A517 PolarHBondContact O-N 2.69Å; L515-A517 VanDerWaalsContact C-N 3.31Å; L515-A517 PolarHBondContact O-N 3.26Å; A517-V519 PolarHBondContact O-N 3.43Å; A517-N520 WeakPolarHBondContact O-CB 3.41Å; A517-N520 PolarHBondContact O-N 2.97Å; A517-N520 VanDerWaalsContact O-N 3.16Å; A517-A521 PolarHBondContact O-N 3.28Å |
| 518 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L161 A165 L514 L515 N520 A521 A522 I531 | L161-A518 HydrophobicContact CB-CB 4.12Å; A165-A518 HydrophobicContact CB-CB 4.1Å; L514-A518 WeakPolarHBondContact O-CB 3.45Å; L514-A518 PolarHBondContact O-N 2.88Å; L515-A518 PolarHBondContact O-N 3.4Å; A518-N520 VanDerWaalsContact C-N 3.29Å; A518-N520 PolarHBondContact O-N 3.38Å; A518-A521 PolarHBondContact O-N 3.09Å; A518-A522 WeakPolarHBondContact O-CB 3.26Å; A518-A522 PolarHBondContact O-N 3.05Å; A518-I531 HydrophobicContact CB-CG2 4.42Å |
| 519 | V | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | A165 I168 V169 L515 A517 A522 R523 | A165-V519 HydrophobicContact CB-CB 4.47Å; A165-V519 HydrophobicContact CB-CG2 4Å; I168-V519 HydrophobicContact CB-CG2 4.46Å; I168-V519 HydrophobicContact CD1-CG2 3.85Å; I168-V519 HydrophobicContact CG2-CG1 4.14Å; I168-V519 HydrophobicContact CG2-CG2 4.39Å; V169-V519 HydrophobicContact CG2-CG1 3.95Å; L515-V519 HydrophobicContact CD1-CG2 4.12Å; L515-V519 HydrophobicContact CG-CG2 4.33Å; L515-V519 VanDerWaalsContact O-CG2 3.24Å; L515-V519 WeakPolarHBondContact O-CG2 3.44Å; L515-V519 PolarHBondContact O-N 2.99Å; A517-V519 PolarHBondContact O-N 3.43Å; V519-A522 PolarHBondContact O-N 2.95Å; V519-R523 VanDerWaalsContact CG1-CZ 3.44Å; V519-R523 VanDerWaalsContact CG1-NH2 3.34Å; V519-R523 WeakPolarHBondContact O-CG 3.31Å; V519-R523 PolarHBondContact O-N 3.19Å; V519-R523 VanDerWaalsContact O-N 3.1Å |
| 520 | N | 98.6 | Very high | 97.8 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 39% | 0.39 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.8 | -170 | 42.2 | 0 | 0 | 0 | 112.2 | A516 A517 A518 A522 R523 V524 | A516-N520 PolarHBondContact O-N 3.04Å; A517-N520 WeakPolarHBondContact O-CB 3.41Å; A517-N520 PolarHBondContact O-N 2.97Å; A517-N520 VanDerWaalsContact O-N 3.16Å; A518-N520 VanDerWaalsContact C-N 3.29Å; A518-N520 PolarHBondContact O-N 3.38Å; N520-A522 VanDerWaalsContact C-N 3.34Å; N520-A522 PolarHBondContact O-N 3Å; N520-R523 PolarHBondContact O-N 2.67Å; N520-V524 PolarHBondContact O-N 3.08Å |
| 521 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A500 L501 A517 A518 R523 V524 R525 A526 I531 | A500-A521 HydrophobicContact CB-CB 4.15Å; L501-A521 HydrophobicContact CD2-CB 4.46Å; A517-A521 PolarHBondContact O-N 3.28Å; A518-A521 PolarHBondContact O-N 3.09Å; A521-R523 PolarHBondContact O-N 3.31Å; A521-V524 WeakPolarHBondContact O-CG2 3.35Å; A521-V524 PolarHBondContact O-N 2.92Å; A521-R525 PolarHBondContact O-N 2.9Å; A521-A526 HydrophobicContact CB-CB 3.94Å; A521-A526 VanDerWaalsContact O-CB 3.29Å; A521-A526 WeakPolarHBondContact O-CB 3.28Å; A521-A526 PolarHBondContact O-N 3.33Å; A521-I531 HydrophobicContact CB-CD1 3.96Å; A521-I531 HydrophobicContact CB-CG1 3.85Å |
| 522 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | A165 F166 V169 A518 V519 N520 V524 R525 | A165-A522 HydrophobicContact CB-CB 3.85Å; F166-A522 HydrophobicContact CD1-CB 3.53Å; F166-A522 HydrophobicContact CE1-CB 3.78Å; V169-A522 HydrophobicContact CG2-CB 3.86Å; A518-A522 WeakPolarHBondContact O-CB 3.26Å; A518-A522 PolarHBondContact O-N 3.05Å; V519-A522 PolarHBondContact O-N 2.95Å; N520-A522 VanDerWaalsContact C-N 3.34Å; N520-A522 PolarHBondContact O-N 3Å; A522-V524 VanDerWaalsContact C-N 3.27Å; A522-V524 PolarHBondContact O-N 3.48Å; A522-R525 PolarHBondContact O-N 3.31Å |
| 523 | R | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 23.2 Ų | 23.2 | 37% | 0.366 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.8 | -36 | 179.3 | -73 | -174.4 | -168.7 | 112 | -1.2 | 112.7 | V169 E172 V519 N520 A521 R525 | V169-R523 HydrophobicContact CB-CG 4.46Å; V169-R523 HydrophobicContact CG1-CG 3.95Å; V169-R523 HydrophobicContact CG2-CG 3.56Å; E172-R523 VanDerWaalsContact CD-NH2 3.33Å; E172-R523 IonicContact OE1-CZ 2.7Å; E172-R523 IonicContact OE1-NH2 3.18Å; E172-R523 PolarHBondContact OE1-NH2 3.17Å; E172-R523 IonicContact OE2-CZ 3.82Å; E172-R523 IonicContact OE2-NE 3.94Å; E172-R523 PolarHBondContact OE2-NE 3.36Å; E172-R523 IonicContact OE2-NH2 3.86Å; E172-R523 PolarHBondContact OE2-NH2 3.38Å; V519-R523 VanDerWaalsContact CG1-CZ 3.44Å; V519-R523 VanDerWaalsContact CG1-NH2 3.34Å; V519-R523 WeakPolarHBondContact O-CG 3.31Å; V519-R523 PolarHBondContact O-N 3.19Å; V519-R523 VanDerWaalsContact O-N 3.1Å; N520-R523 PolarHBondContact O-N 2.67Å; A521-R523 PolarHBondContact O-N 3.31Å; R523-R525 VanDerWaalsContact C-N 3.27Å; R523-R525 WeakPolarHBondContact O-CD 3.44Å; R523-R525 PolarHBondContact O-N 2.87Å; R523-R525 PolarHBondContact O-NH1 3.5Å |
| 524 | V | 98.7 | Very high | 98.6 | Very high | 37 Ų | 37 | 21.6 Ų | 21.6 | 22% | 0.224 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10.8 | 178.5 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | A496 V497 A500 N520 A521 A522 A526 | A496-V524 HydrophobicContact CB-CB 4.29Å; A496-V524 HydrophobicContact CB-CG1 4.05Å; V497-V524 HydrophobicContact CG2-CB 4.32Å; V497-V524 HydrophobicContact CG2-CG2 4.08Å; V497-V524 WeakPolarHBondContact CG2-O 3.1Å; A500-V524 HydrophobicContact CB-CG2 3.71Å; N520-V524 PolarHBondContact O-N 3.08Å; A521-V524 WeakPolarHBondContact O-CG2 3.35Å; A521-V524 PolarHBondContact O-N 2.92Å; A522-V524 VanDerWaalsContact C-N 3.27Å; A522-V524 PolarHBondContact O-N 3.48Å; V524-A526 VanDerWaalsContact C-N 3.35Å |
| 525 | R | 98.7 | Very high | 98.6 | Very high | 51 Ų | 51 | 21.6 Ų | 21.6 | 19% | 0.192 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 36.9 | 177.8 | -77.5 | 61.3 | 178.6 | 168.5 | 7.9 | 113.1 | V135 E136 E173 I488 R492 A521 A522 R523 | V135-R525 HydrophobicContact CG1-CG 4.08Å; E136-R525 IonicContact OE1-CZ 3.87Å; E136-R525 VanDerWaalsContact OE1-CZ 3.28Å; E136-R525 IonicContact OE1-NE 3.02Å; E136-R525 PolarHBondContact OE1-NE 3.25Å; E136-R525 IonicContact OE1-NH2 3.34Å; E136-R525 PolarHBondContact OE1-NH2 2.98Å; E173-R525 VanDerWaalsContact CD-NH2 3.27Å; E173-R525 IonicContact OE1-CZ 2.97Å; E173-R525 IonicContact OE1-NH1 2.89Å; E173-R525 PolarHBondContact OE1-NH1 3.41Å; E173-R525 IonicContact OE1-NH2 3.95Å; E173-R525 PolarHBondContact OE1-NH2 3.42Å; E173-R525 IonicContact OE2-NH2 3.74Å; E173-R525 PolarHBondContact OE2-NH2 2.96Å; I488-R525 HydrophobicContact CG2-CB 3.94Å; I488-R525 HydrophobicContact CG2-CG 4.31Å; R492-R525 HydrophobicContact CB-CB 4.17Å; R492-R525 WeakPolarHBondContact CD-O 3.4Å; R492-R525 PolarHBondContact NH1-O 3.29Å; A521-R525 PolarHBondContact O-N 2.9Å; A522-R525 PolarHBondContact O-N 3.31Å; R523-R525 VanDerWaalsContact C-N 3.27Å; R523-R525 WeakPolarHBondContact O-CD 3.44Å; R523-R525 PolarHBondContact O-N 2.87Å; R523-R525 PolarHBondContact O-NH1 3.5Å |
| 526 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -62.6 | 143.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V497 L501 A521 V524 E530 I531 | V497-A526 HydrophobicContact CG1-CB 4.11Å; L501-A526 HydrophobicContact CD2-CB 3.96Å; L501-A526 HydrophobicContact CG-CB 4.41Å; A521-A526 HydrophobicContact CB-CB 3.94Å; A521-A526 VanDerWaalsContact O-CB 3.29Å; A521-A526 WeakPolarHBondContact O-CB 3.28Å; A521-A526 PolarHBondContact O-N 3.33Å; V524-A526 VanDerWaalsContact C-N 3.35Å; A526-E530 WeakPolarHBondContact CA-OE2 3.29Å; A526-I531 HydrophobicContact CB-CD1 4.2Å; A526-I531 HydrophobicContact CB-CG1 3.94Å | ||
| 527 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -79.9 | 167.3 | 178.5 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | D115 D133 T134 L485 G529 E530 I531 | D115-T527 VanDerWaalsContact CG-OG1 3.28Å; D115-T527 VanDerWaalsContact OD1-CB 3.27Å; D115-T527 WeakPolarHBondContact OD1-CB 3.23Å; D115-T527 PolarHBondContact OD1-OG1 3.49Å; D115-T527 WeakPolarHBondContact OD2-CB 3.22Å; D115-T527 PolarHBondContact OD2-OG1 3.22Å; D133-T527 CarbonylContact O-C 3.6Å; D133-T527 VanDerWaalsContact O-CA 3.29Å; D133-T527 WeakPolarHBondContact O-CA 3.41Å; T134-T527 HydrophobicContact CG2-CG2 4.08Å; L485-T527 HydrophobicContact CD2-CG2 3.65Å; T527-G529 VanDerWaalsContact C-N 3.32Å; T527-E530 PolarHBondContact N-OE2 3.32Å; T527-E530 PolarHBondContact O-N 3.37Å; T527-E530 WeakPolarHBondContact OG1-CB 3.31Å; T527-E530 VanDerWaalsContact OG1-CG 3.23Å; T527-E530 WeakPolarHBondContact OG1-CG 3.41Å; T527-E530 PolarHBondContact OG1-N 3.16Å; T527-I531 VanDerWaalsContact O-CG1 3.3Å; T527-I531 WeakPolarHBondContact O-CG1 3.34Å; T527-I531 PolarHBondContact O-N 3.44Å | ||
| 528 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 176 | -177.8 | 131.6 | 0 | 0 | 0 | 110.9 | T110 G113 D115 I132 D133 A159 P162 V163 F166 S532 | T110-L528 HydrophobicContact CG2-CD1 3.67Å; G113-L528 VanDerWaalsContact C-CD2 3.46Å; G113-L528 VanDerWaalsContact CA-CD2 3.45Å; D115-L528 PolarHBondContact OD1-N 3.4Å; I132-L528 WeakPolarHBondContact O-CD1 3.42Å; D133-L528 PolarHBondContact O-N 3.15Å; A159-L528 HydrophobicContact CB-CD1 4.3Å; A159-L528 HydrophobicContact CB-CD2 4.41Å; A159-L528 HydrophobicContact CB-CG 4.47Å; P162-L528 HydrophobicContact CB-CB 4.46Å; P162-L528 HydrophobicContact CB-CD1 4.23Å; P162-L528 HydrophobicContact CB-CG 4.1Å; P162-L528 HydrophobicContact CG-CD1 4.15Å; P162-L528 HydrophobicContact CG-CG 3.96Å; V163-L528 HydrophobicContact CG2-CD1 3.75Å; F166-L528 HydrophobicContact CE2-CB 3.94Å; F166-L528 HydrophobicContact CE2-CD1 4.26Å; F166-L528 HydrophobicContact CZ-CB 4.3Å; L528-S532 WeakPolarHBondContact O-CB 3.2Å; L528-S532 PolarHBondContact O-N 2.92Å; L528-S532 PolarHBondContact O-OG 2.98Å |
| 529 | G | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G113 D115 T527 I531 S532 D533 | G113-G529 WeakPolarHBondContact O-CA 3.32Å; D115-G529 WeakPolarHBondContact OD1-CA 3.43Å; D115-G529 PolarHBondContact OD1-N 3.38Å; T527-G529 VanDerWaalsContact C-N 3.32Å; G529-I531 VanDerWaalsContact C-N 3.35Å; G529-I531 PolarHBondContact O-N 3.23Å; G529-S532 CarbonylContact O-C 3.57Å; G529-S532 PolarHBondContact O-N 3.16Å; G529-D533 WeakPolarHBondContact O-CB 3.45Å; G529-D533 VanDerWaalsContact O-CG 3.28Å; G529-D533 PolarHBondContact O-N 3.29Å |
| 530 | E | 98.8 | Very high | 98 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 19% | 0.187 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 179.6 | -74.5 | 168.3 | 167 | 0 | 0 | 113.1 | R492 L501 A526 T527 S532 A534 | R492-E530 IonicContact CZ-OE1 3.34Å; R492-E530 IonicContact CZ-OE2 2.94Å; R492-E530 IonicContact NH1-OE1 2.74Å; R492-E530 PolarHBondContact NH1-OE1 2.79Å; R492-E530 IonicContact NH1-OE2 2.78Å; R492-E530 PolarHBondContact NH1-OE2 2.84Å; R492-E530 IonicContact NH2-OE1 2.91Å; R492-E530 PolarHBondContact NH2-OE1 3.23Å; R492-E530 IonicContact NH2-OE2 2.72Å; L501-E530 HydrophobicContact CD1-CB 3.85Å; L501-E530 HydrophobicContact CD1-CG 4.34Å; L501-E530 HydrophobicContact CD2-CB 4.1Å; L501-E530 WeakPolarHBondContact CD2-O 3.34Å; A526-E530 WeakPolarHBondContact CA-OE2 3.29Å; T527-E530 PolarHBondContact N-OE2 3.32Å; T527-E530 PolarHBondContact O-N 3.37Å; T527-E530 WeakPolarHBondContact OG1-CB 3.31Å; T527-E530 VanDerWaalsContact OG1-CG 3.23Å; T527-E530 WeakPolarHBondContact OG1-CG 3.41Å; T527-E530 PolarHBondContact OG1-N 3.16Å; E530-S532 VanDerWaalsContact C-N 3.34Å; E530-A534 WeakPolarHBondContact O-CB 3.37Å; E530-A534 PolarHBondContact O-N 2.86Å |
| 531 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.9 | -70.2 | 170 | 0 | 0 | 0 | 110.7 | P162 F166 L501 L504 A518 A521 A526 T527 G529 L535 | P162-I531 HydrophobicContact CB-CB 4.05Å; P162-I531 HydrophobicContact CB-CD1 3.99Å; P162-I531 HydrophobicContact CB-CG2 3.81Å; P162-I531 HydrophobicContact CG-CG2 4.08Å; F166-I531 HydrophobicContact CE1-CD1 3.96Å; F166-I531 HydrophobicContact CZ-CD1 4.14Å; L501-I531 HydrophobicContact CD2-CG1 4.14Å; L504-I531 HydrophobicContact CD2-CB 4.39Å; L504-I531 HydrophobicContact CD2-CG2 3.68Å; A518-I531 HydrophobicContact CB-CG2 4.42Å; A521-I531 HydrophobicContact CB-CD1 3.96Å; A521-I531 HydrophobicContact CB-CG1 3.85Å; A526-I531 HydrophobicContact CB-CD1 4.2Å; A526-I531 HydrophobicContact CB-CG1 3.94Å; T527-I531 VanDerWaalsContact O-CG1 3.3Å; T527-I531 WeakPolarHBondContact O-CG1 3.34Å; T527-I531 PolarHBondContact O-N 3.44Å; G529-I531 VanDerWaalsContact C-N 3.35Å; G529-I531 PolarHBondContact O-N 3.23Å; I531-L535 PolarHBondContact O-N 2.97Å |
| 532 | S | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.4 | -44.4 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | G113 Y201 L528 G529 E530 A534 L535 E536 | G113-S532 WeakPolarHBondContact CA-OG 3.43Å; Y201-S532 WeakPolarHBondContact OH-CA 3.46Å; Y201-S532 PolarHBondContact OH-O 3.42Å; L528-S532 WeakPolarHBondContact O-CB 3.2Å; L528-S532 PolarHBondContact O-N 2.92Å; L528-S532 PolarHBondContact O-OG 2.98Å; G529-S532 CarbonylContact O-C 3.57Å; G529-S532 PolarHBondContact O-N 3.16Å; E530-S532 VanDerWaalsContact C-N 3.34Å; S532-A534 VanDerWaalsContact C-N 3.33Å; S532-A534 PolarHBondContact O-N 3.15Å; S532-L535 WeakPolarHBondContact O-CB 3.27Å; S532-L535 PolarHBondContact O-N 3.45Å; S532-L535 VanDerWaalsContact O-N 3.13Å; S532-E536 PolarHBondContact O-N 3.49Å |
| 533 | D | 98.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 41.8 Ų | 41.8 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.6 | -71.6 | -11.7 | 0 | 0 | 0 | 111.4 | G529 L535 E536 V537 | G529-D533 WeakPolarHBondContact O-CB 3.45Å; G529-D533 VanDerWaalsContact O-CG 3.28Å; G529-D533 PolarHBondContact O-N 3.29Å; D533-L535 PolarHBondContact O-N 3.4Å; D533-E536 WeakPolarHBondContact O-CB 3.26Å; D533-E536 PolarHBondContact O-N 3.45Å; D533-E536 VanDerWaalsContact O-N 3.11Å; D533-V537 WeakPolarHBondContact O-CG2 3.4Å; D533-V537 PolarHBondContact O-N 3.45Å |
| 534 | A | 98.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -30.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L501 L504 T505 E530 S532 | L501-A534 HydrophobicContact CB-CB 4.29Å; L501-A534 HydrophobicContact CD2-CB 4.12Å; L504-A534 HydrophobicContact CD2-CB 4.26Å; T505-A534 PolarHBondContact OG1-O 3.5Å; E530-A534 WeakPolarHBondContact O-CB 3.37Å; E530-A534 PolarHBondContact O-N 2.86Å; S532-A534 VanDerWaalsContact C-N 3.33Å; S532-A534 PolarHBondContact O-N 3.15Å |
| 535 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -81.3 | -38.1 | 172.4 | -65.6 | 167.8 | 0 | 0 | 0 | 111.6 | L161 Y201 L504 A508 L514 I531 S532 D533 V537 A538 F539 | L161-L535 HydrophobicContact CD1-CD1 3.51Å; L161-L535 HydrophobicContact CD1-CD2 4.43Å; Y201-L535 HydrophobicContact CE1-CB 3.84Å; Y201-L535 HydrophobicContact CE2-CD1 4.32Å; Y201-L535 WeakPolarHBondContact OH-CD1 3.46Å; L504-L535 HydrophobicContact CD1-CD2 3.87Å; L504-L535 HydrophobicContact CD2-CD1 4.48Å; L504-L535 HydrophobicContact CD2-CD2 4.26Å; L504-L535 HydrophobicContact CD2-CG 4.05Å; L504-L535 HydrophobicContact CG-CD2 3.86Å; L504-L535 HydrophobicContact CG-CG 4.18Å; A508-L535 HydrophobicContact CB-CD2 4.06Å; L514-L535 HydrophobicContact CD2-CD2 3.93Å; I531-L535 PolarHBondContact O-N 2.97Å; S532-L535 WeakPolarHBondContact O-CB 3.27Å; S532-L535 PolarHBondContact O-N 3.45Å; S532-L535 VanDerWaalsContact O-N 3.13Å; D533-L535 PolarHBondContact O-N 3.4Å; L535-V537 PolarHBondContact O-N 2.91Å; L535-A538 PolarHBondContact O-N 2.89Å; L535-F539 HydrophobicContact CB-CD2 4.21Å; L535-F539 HydrophobicContact CB-CE2 4.45Å; L535-F539 HydrophobicContact CD2-CE2 4.01Å; L535-F539 PolarHBondContact O-N 3.46Å |
| 536 | E | 97.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 41.7 Ų | 41.7 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -37.2 | 176.8 | -172.4 | 167.3 | 152.4 | 0 | 0 | 111.4 | Y201 S532 D533 A538 F539 D540 R541 | Y201-E536 HydrophobicContact CE1-CB 4.32Å; S532-E536 PolarHBondContact O-N 3.49Å; D533-E536 WeakPolarHBondContact O-CB 3.26Å; D533-E536 PolarHBondContact O-N 3.45Å; D533-E536 VanDerWaalsContact O-N 3.11Å; E536-A538 PolarHBondContact O-N 3.4Å; E536-A538 VanDerWaalsContact O-N 3.11Å; E536-F539 PolarHBondContact O-N 3.25Å; E536-D540 WeakPolarHBondContact O-CA 3.46Å; E536-D540 PolarHBondContact O-N 2.82Å; E536-R541 HydrophobicContact CG-CB 4.3Å; E536-R541 WeakPolarHBondContact OE2-CD 3.38Å; E536-R541 IonicContact OE2-NE 2.64Å |
| 537 | V | 96.3 | Very high | 92.9 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 65% | 0.648 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -53.6 | -31.6 | 172.6 | 171.5 | 0 | 0 | 0 | 0 | 113.1 | T505 D533 L535 | T505-V537 HydrophobicContact CG2-CB 4.3Å; T505-V537 HydrophobicContact CG2-CG1 3.89Å; D533-V537 WeakPolarHBondContact O-CG2 3.4Å; D533-V537 PolarHBondContact O-N 3.45Å; L535-V537 PolarHBondContact O-N 2.91Å |
| 538 | A | 94.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -98.8 | -25.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A508 Q509 L535 E536 | A508-A538 HydrophobicContact CB-CB 3.59Å; Q509-A538 HydrophobicContact CG-CB 4.03Å; L535-A538 PolarHBondContact O-N 2.89Å; E536-A538 PolarHBondContact O-N 3.4Å; E536-A538 VanDerWaalsContact O-N 3.11Å |
| 539 | F | 96 | Very high | 92.2 | Very high | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -117.4 | -14.3 | -167.2 | -62.1 | -25.3 | 0 | 0 | 0 | 115.1 | Y201 P202 P205 I209 A508 L514 L535 E536 | Y201-F539 HydrophobicContact CD1-CB 4.06Å; Y201-F539 HydrophobicContact CD1-CD2 4.33Å; Y201-F539 HydrophobicContact CG-CB 4.32Å; Y201-F539 HydrophobicContact CG-CD2 4.26Å; P202-F539 WeakPolarHBondContact CD-O 3.39Å; P202-F539 WeakPolarHBondContact CG-O 2.85Å; P205-F539 HydrophobicContact CB-CB 3.81Å; P205-F539 HydrophobicContact CB-CD1 3.57Å; P205-F539 HydrophobicContact CB-CD2 3.72Å; P205-F539 HydrophobicContact CB-CE1 4.01Å; P205-F539 HydrophobicContact CB-CE2 4.13Å; P205-F539 HydrophobicContact CB-CG 3.42Å; P205-F539 VanDerWaalsContact CB-CG 3.42Å; P205-F539 HydrophobicContact CB-CZ 4.27Å; P205-F539 HydrophobicContact CG-CB 3.93Å; P205-F539 HydrophobicContact CG-CD1 4.43Å; P205-F539 HydrophobicContact CG-CG 4.12Å; I209-F539 HydrophobicContact CD1-CE2 4.24Å; I209-F539 HydrophobicContact CG1-CE2 4.38Å; A508-F539 HydrophobicContact CB-CE1 3.87Å; A508-F539 HydrophobicContact CB-CE2 4.14Å; A508-F539 HydrophobicContact CB-CZ 3.55Å; L514-F539 HydrophobicContact CD1-CE2 4.04Å; L514-F539 HydrophobicContact CD1-CZ 4.01Å; L535-F539 HydrophobicContact CB-CD2 4.21Å; L535-F539 HydrophobicContact CB-CE2 4.45Å; L535-F539 HydrophobicContact CD2-CE2 4.01Å; L535-F539 PolarHBondContact O-N 3.46Å; E536-F539 PolarHBondContact O-N 3.25Å |
| 540 | D | 95.5 | Very high | 91.9 | Very high | 117 Ų | 117 | 55.1 Ų | 55.1 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | trans | 60.1 | 170.7 | -165.9 | -60.2 | -49.8 | 0 | 0 | 0 | 113.6 | P202 E536 | P202-D540 VanDerWaalsContact CD-O 3.31Å; P202-D540 WeakPolarHBondContact CD-O 3.44Å; E536-D540 WeakPolarHBondContact O-CA 3.46Å; E536-D540 PolarHBondContact O-N 2.82Å | ||
| 541 | R | 95.3 | Very high | 91.8 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | trans | -100.9 | 135.2 | 174.1 | -153.1 | 165.3 | -155.2 | -95.5 | -6.7 | 111.1 | R112 Y114 I200 E536 | R112-R541 PolarHBondContact O-NH2 2.87Å; Y114-R541 VanDerWaalsContact CE2-NH2 3.27Å; Y114-R541 PolarHBondContact OH-NE 3.43Å; Y114-R541 PolarHBondContact OH-NH1 2.94Å; Y114-R541 PolarHBondContact OH-NH2 3.21Å; I200-R541 HydrophobicContact CG2-CG 4.28Å; I200-R541 CarbonylContact O-C 3.6Å; I200-R541 WeakPolarHBondContact O-CA 3.35Å; I200-R541 WeakPolarHBondContact O-CG 3.33Å; E536-R541 HydrophobicContact CG-CB 4.3Å; E536-R541 WeakPolarHBondContact OE2-CD 3.38Å; E536-R541 IonicContact OE2-NE 2.64Å | ||
| 542 | Y | 93.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | trans | -86.1 | 125.8 | -177.7 | -166.3 | -119.6 | 0 | 0 | 0 | 111.6 | Y193 Y199 I200 P202 V544 | Y193-Y542 AromaticContact CD1-CD1 3.7Å; Y193-Y542 HydrophobicContact CD1-CD1 3.7Å; Y193-Y542 AromaticContact CD1-CE1 3.57Å; Y193-Y542 HydrophobicContact CD1-CE1 3.57Å; Y193-Y542 AromaticContact CE1-CD1 3.51Å; Y193-Y542 HydrophobicContact CE1-CD1 3.51Å; Y193-Y542 AromaticContact CE1-CE1 3.78Å; Y193-Y542 HydrophobicContact CE1-CE1 3.78Å; Y193-Y542 HydrophobicContact CE1-CG 4.29Å; Y199-Y542 AromaticContact CD2-CD1 3.82Å; Y199-Y542 HydrophobicContact CD2-CD1 3.82Å; Y199-Y542 HydrophobicContact CD2-CG 4.49Å; Y199-Y542 AromaticContact CE2-CD1 3.79Å; Y199-Y542 HydrophobicContact CE2-CD1 3.79Å; Y199-Y542 WeakPolarHBondContact CE2-O 3.21Å; Y199-Y542 HydrophobicContact CG-CD1 4.36Å; I200-Y542 PolarHBondContact O-N 2.89Å; P202-Y542 HydrophobicContact CB-CD2 3.93Å; P202-Y542 HydrophobicContact CG-CD2 4.15Å; Y542-V544 HydrophobicContact CD1-CG2 3.71Å; Y542-V544 HydrophobicContact CE1-CG2 3.02Å; Y542-V544 HydrophobicContact CE2-CG2 4.15Å; Y542-V544 WeakPolarHBondContact OH-CG2 3.45Å | ||
| 543 | L | 83.2 | Confident | 91.4 | Very high | 120 Ų | 120 | 55.3 Ų | 55.3 | 63% | 0.628 | 31% | 0.314 | S | S | * | . | trans | -132.5 | 127.9 | 174.4 | -63.8 | 173.9 | 0 | 0 | 0 | 108.3 | F621 | L543-F621 HydrophobicContact CD2-CD2 4.35Š| ||
| 544 | V | 76.3 | Confident | 91.3 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | trans | -116.6 | 138.5 | -178.9 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | Y542 | Y542-V544 HydrophobicContact CD1-CG2 3.71Å; Y542-V544 HydrophobicContact CE1-CG2 3.02Å; Y542-V544 HydrophobicContact CE2-CG2 4.15Å; Y542-V544 WeakPolarHBondContact OH-CG2 3.45Å | ||
| 545 | P | 73.1 | Confident | 91.2 | Very high | 97 Ų | 97 | 57.6 Ų | 57.6 | 63% | 0.63 | 32% | 0.324 | S | S | * | . | trans | -61.5 | 138.6 | 169.5 | 25.5 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 546 | S | 78.6 | Confident | 91 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | trans | -77.4 | 122.9 | 175 | -74.1 | 0 | 0 | 0 | 0 | 110.8 | S618 | S546-S618 WeakPolarHBondContact CB-O 3.48Å; S546-S618 PolarHBondContact OG-O 2.92Å | ||
| 547 | Q | 83.9 | Confident | 90.8 | Very high | 146 Ų | 146 | 55 Ų | 55 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | trans | -122.9 | 158.3 | 169.3 | -63.8 | -179.9 | -6.6 | 0 | 0 | 110.6 | K602 | Q547-K602 VanDerWaalsContact O-CD 3.24Å; Q547-K602 WeakPolarHBondContact O-CD 3.32Å; Q547-K602 WeakPolarHBondContact O-CE 3.36Å; Q547-K602 PolarHBondContact O-NZ 2.76Å | ||
| 548 | C | 89.2 | Confident | 90.8 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | trans | -129.7 | 161.3 | 171.6 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | K602 A605 L617 | C548-K602 HydrophobicContact CB-CD 4.13Å; C548-A605 HydrophobicContact CB-CB 4.09Å; C548-L617 HydrophobicContact CB-CD1 4.06Å | ||
| 549 | V | 93.7 | Very high | 90.7 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -73.9 | 148.9 | 170.6 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | R433 E436 E437 A440 V552 S606 | R433-V549 HydrophobicContact CG-CG1 3.96Å; E436-V549 HydrophobicContact CB-CG1 3.77Å; E436-V549 HydrophobicContact CB-CG2 4.12Å; E437-V549 HydrophobicContact CG-CG1 4.04Å; A440-V549 HydrophobicContact CB-CG2 4.38Å; V549-V552 HydrophobicContact CB-CG2 4.24Å; V549-V552 HydrophobicContact CG2-CG2 4.16Å; V549-S606 WeakPolarHBondContact O-CB 3.5Å; V549-S606 PolarHBondContact O-OG 3.31Å | ||
| 550 | T | 93.1 | Very high | 90.5 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | trans | -130.6 | 150.2 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | V552 | T550-V552 VanDerWaalsContact C-N 3.29Å; T550-V552 PolarHBondContact O-N 3.4Å | ||
| 551 | G | 95.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 84.3 | -9.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | Q555 D610 | G551-Q555 WeakPolarHBondContact O-CB 3.09Å; G551-Q555 PolarHBondContact O-N 3.04Å; G551-D610 WeakPolarHBondContact CA-OD1 3.46Å; G551-D610 WeakPolarHBondContact CA-OD2 3.39Å; G551-D610 PolarHBondContact N-OD1 2.85Å; G551-D610 PolarHBondContact N-OD2 3.4Å |
| 552 | V | 95.1 | Very high | 90.1 | Very high | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.2 | -40.6 | -176.4 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | E437 A440 R441 V549 T550 S556 D610 | E437-V552 HydrophobicContact CG-CG2 4.02Å; A440-V552 HydrophobicContact CB-CB 4.22Å; A440-V552 HydrophobicContact CB-CG1 3.93Å; R441-V552 HydrophobicContact CB-CG1 4.33Å; V549-V552 HydrophobicContact CB-CG2 4.24Å; V549-V552 HydrophobicContact CG2-CG2 4.16Å; T550-V552 VanDerWaalsContact C-N 3.29Å; T550-V552 PolarHBondContact O-N 3.4Å; V552-S556 PolarHBondContact O-N 2.98Å; V552-S556 VanDerWaalsContact O-N 3.15Å; V552-D610 PolarHBondContact N-OD2 3.03Å |
| 553 | I | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -72.8 | -48.6 | -178.6 | -71.6 | 164.6 | 0 | 0 | 0 | 109 | A440 Q555 S556 Y557 F567 A607 D610 M698 | A440-I553 HydrophobicContact CB-CG1 4.21Å; I553-Q555 VanDerWaalsContact C-N 3.33Å; I553-Q555 PolarHBondContact O-N 2.78Å; I553-S556 WeakPolarHBondContact O-CB 3.28Å; I553-S556 PolarHBondContact O-N 2.86Å; I553-Y557 HydrophobicContact CG2-CD2 3.79Å; I553-Y557 HydrophobicContact CG2-CE2 3.91Å; I553-Y557 WeakPolarHBondContact O-CD2 3.22Å; I553-Y557 PolarHBondContact O-N 2.64Å; I553-F567 HydrophobicContact CG2-CE2 4.11Å; I553-A607 VanDerWaalsContact CD1-CA 3.49Å; I553-A607 HydrophobicContact CD1-CB 3.67Å; I553-A607 VanDerWaalsContact CD1-N 3.33Å; I553-D610 WeakPolarHBondContact CB-OD2 3.44Å; I553-D610 PolarHBondContact N-OD2 3.5Å; I553-D610 VanDerWaalsContact N-OD2 3.11Å; I553-M698 HydrophobicContact CB-CE 4.39Å; I553-M698 HydrophobicContact CD1-CE 3.77Å; I553-M698 HydrophobicContact CD1-SD 3.66Å; I553-M698 HydrophobicContact CG1-CE 4.07Å; I553-M698 HydrophobicContact CG2-CE 3.44Å; I553-M698 VanDerWaalsContact CG2-CE 3.44Å |
| 554 | A | 95.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 61.2 Ų | 61.2 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -52.5 | -52 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S556 Y557 H558 F567 D610 | A554-S556 PolarHBondContact O-N 3.42Å; A554-S556 VanDerWaalsContact O-N 3.16Å; A554-Y557 PolarHBondContact O-N 2.97Å; A554-Y557 VanDerWaalsContact O-N 3.13Å; A554-H558 PolarHBondContact O-N 3.24Å; A554-H558 PolarHBondContact O-ND1 2.69Å; A554-F567 HydrophobicContact CB-CE1 4.16Å; A554-F567 HydrophobicContact CB-CE2 4.42Å; A554-F567 HydrophobicContact CB-CZ 3.8Å; A554-D610 HydrophobicContact CB-CB 4.22Å; A554-D610 PolarHBondContact N-OD2 3.22Å |
| 555 | Q | 95.5 | Very high | 91.5 | Very high | 117 Ų | 117 | 62.1 Ų | 62.1 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.2 | -39.2 | 178.4 | -173.6 | -173.9 | 38.1 | 0 | 0 | 112.6 | G551 I553 Q559 | G551-Q555 WeakPolarHBondContact O-CB 3.09Å; G551-Q555 PolarHBondContact O-N 3.04Å; I553-Q555 VanDerWaalsContact C-N 3.33Å; I553-Q555 PolarHBondContact O-N 2.78Å; Q555-Q559 WeakPolarHBondContact O-CG 3.47Å |
| 556 | S | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | S444 Q448 V552 I553 A554 Q559 | S444-S556 WeakPolarHBondContact CB-OG 3.49Å; S444-S556 WeakPolarHBondContact OG-CB 3.24Å; S444-S556 PolarHBondContact OG-OG 2.86Å; Q448-S556 PolarHBondContact NE2-OG 3.47Å; V552-S556 PolarHBondContact O-N 2.98Å; V552-S556 VanDerWaalsContact O-N 3.15Å; I553-S556 WeakPolarHBondContact O-CB 3.28Å; I553-S556 PolarHBondContact O-N 2.86Å; A554-S556 PolarHBondContact O-N 3.42Å; A554-S556 VanDerWaalsContact O-N 3.16Å; S556-Q559 WeakPolarHBondContact O-CB 3.4Å; S556-Q559 WeakPolarHBondContact O-CG 3.43Å; S556-Q559 PolarHBondContact O-N 3.15Å |
| 557 | Y | 94.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.6 | -33.2 | 178.1 | -85.9 | -95.9 | 0 | 0 | 0 | 112.3 | S444 D447 Q448 I553 A554 Q559 S563 A564 F567 M698 L699 | S444-Y557 VanDerWaalsContact OG-CD2 3.22Å; S444-Y557 WeakPolarHBondContact OG-CD2 3.3Å; S444-Y557 WeakPolarHBondContact OG-CE2 3.31Å; D447-Y557 VanDerWaalsContact CB-OH 3.29Å; D447-Y557 WeakPolarHBondContact CB-OH 3.43Å; Q448-Y557 HydrophobicContact CG-CD1 4.16Å; Q448-Y557 HydrophobicContact CG-CE1 3.76Å; I553-Y557 HydrophobicContact CG2-CD2 3.79Å; I553-Y557 HydrophobicContact CG2-CE2 3.91Å; I553-Y557 WeakPolarHBondContact O-CD2 3.22Å; I553-Y557 PolarHBondContact O-N 2.64Å; A554-Y557 PolarHBondContact O-N 2.97Å; A554-Y557 VanDerWaalsContact O-N 3.13Å; Y557-Q559 PolarHBondContact O-N 3.25Å; Y557-Q559 VanDerWaalsContact O-N 3.16Å; Y557-S563 CarbonylContact O-C 3.45Å; Y557-S563 VanDerWaalsContact O-CB 3.29Å; Y557-S563 WeakPolarHBondContact O-CB 3.41Å; Y557-S563 PolarHBondContact O-OG 3.02Å; Y557-A564 PolarHBondContact O-N 2.99Å; Y557-A564 VanDerWaalsContact O-N 3.12Å; Y557-F567 HydrophobicContact CD1-CB 4.27Å; Y557-F567 HydrophobicContact CD2-CD2 4.27Å; Y557-F567 HydrophobicContact CG-CB 4.32Å; Y557-F567 HydrophobicContact CG-CD2 4.04Å; Y557-M698 HydrophobicContact CE2-CE 4.05Å; Y557-L699 HydrophobicContact CD1-CD1 3.98Å; Y557-L699 HydrophobicContact CE1-CD1 3.37Å; Y557-L699 HydrophobicContact CE1-CG 4.09Å |
| 558 | H | 95.4 | Very high | 93.9 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 4.7 | 176.5 | -66 | 119.2 | 0 | 0 | 0 | 114.6 | A554 S560 F567 D568 | A554-H558 PolarHBondContact O-N 3.24Å; A554-H558 PolarHBondContact O-ND1 2.69Å; H558-S560 VanDerWaalsContact C-N 3.27Å; H558-S560 PolarHBondContact O-N 2.9Å; H558-F567 AromaticContact CE1-CD1 3.75Å; H558-F567 AromaticContact CE1-CE1 3.93Å; H558-F567 AromaticContact NE2-CD1 3.96Å; H558-D568 IonicContact CD2-OD1 3.78Å; H558-D568 IonicContact CE1-OD1 3.77Å; H558-D568 IonicContact NE2-OD1 2.92Å; H558-D568 PolarHBondContact NE2-OD1 3.37Å; H558-D568 IonicContact NE2-OD2 3.4Å |
| 559 | Q | 92.2 | Very high | 94.2 | Very high | 122 Ų | 122 | 57.4 Ų | 57.4 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.8 | 173.5 | -64.2 | -175.9 | -8.8 | 0 | 0 | 114.1 | Q555 S556 Y557 | Q555-Q559 WeakPolarHBondContact O-CG 3.47Å; S556-Q559 WeakPolarHBondContact O-CB 3.4Å; S556-Q559 WeakPolarHBondContact O-CG 3.43Å; S556-Q559 PolarHBondContact O-N 3.15Å; Y557-Q559 PolarHBondContact O-N 3.25Å; Y557-Q559 VanDerWaalsContact O-N 3.16Å |
| 560 | S | 91.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -144.7 | 145.2 | 173.5 | 85.1 | 0 | 0 | 0 | 0 | 111.2 | H558 K562 S563 A564 | H558-S560 VanDerWaalsContact C-N 3.27Å; H558-S560 PolarHBondContact O-N 2.9Å; S560-K562 PolarHBondContact O-N 3.27Å; S560-S563 PolarHBondContact O-N 3Å; S560-S563 PolarHBondContact O-OG 3.4Å; S560-S563 VanDerWaalsContact O-OG 3.05Å; S560-S563 PolarHBondContact OG-N 3.34Å; S560-S563 PolarHBondContact OG-OG 2.85Å; S560-A564 VanDerWaalsContact O-CB 3.32Å; S560-A564 WeakPolarHBondContact O-CB 3.36Å; S560-A564 PolarHBondContact O-N 3.33Å |
| 561 | E | 91.8 | Very high | 94.5 | Very high | 179 Ų | 179 | 54 Ų | 54 | 84% | 0.836 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -56.7 | -38.1 | -178.6 | -67.3 | 179.3 | 176.2 | 0 | 0 | 112.4 | S565 | E561-S565 PolarHBondContact O-N 3.03Å |
| 562 | K | 90.8 | Very high | 94.6 | Very high | 173 Ų | 173 | 54.8 Ų | 54.8 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.5 | -53.2 | 179.6 | -176.4 | -175.1 | 174.2 | -169.9 | 0 | 111.6 | S560 A564 S565 E566 | S560-K562 PolarHBondContact O-N 3.27Å; K562-A564 VanDerWaalsContact C-N 3.33Å; K562-S565 PolarHBondContact O-N 2.79Å; K562-S565 PolarHBondContact O-OG 3.37Å; K562-E566 PolarHBondContact O-N 3.24Å |
| 563 | S | 92.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.4 | -35.1 | -179.7 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | Y557 S560 S565 E566 F567 | Y557-S563 CarbonylContact O-C 3.45Å; Y557-S563 VanDerWaalsContact O-CB 3.29Å; Y557-S563 WeakPolarHBondContact O-CB 3.41Å; Y557-S563 PolarHBondContact O-OG 3.02Å; S560-S563 PolarHBondContact O-N 3Å; S560-S563 PolarHBondContact O-OG 3.4Å; S560-S563 VanDerWaalsContact O-OG 3.05Å; S560-S563 PolarHBondContact OG-N 3.34Å; S560-S563 PolarHBondContact OG-OG 2.85Å; S563-S565 PolarHBondContact O-N 2.93Å; S563-E566 PolarHBondContact O-N 3.1Å; S563-F567 PolarHBondContact O-N 2.84Å |
| 564 | A | 94.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.2 | -48.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y557 S560 K562 E566 F567 D568 | Y557-A564 PolarHBondContact O-N 2.99Å; Y557-A564 VanDerWaalsContact O-N 3.12Å; S560-A564 VanDerWaalsContact O-CB 3.32Å; S560-A564 WeakPolarHBondContact O-CB 3.36Å; S560-A564 PolarHBondContact O-N 3.33Å; K562-A564 VanDerWaalsContact C-N 3.33Å; A564-E566 VanDerWaalsContact C-N 3.3Å; A564-E566 PolarHBondContact O-N 3.43Å; A564-F567 PolarHBondContact O-N 3.45Å; A564-D568 WeakPolarHBondContact O-CB 3.39Å; A564-D568 PolarHBondContact O-N 2.69Å |
| 565 | S | 95.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 63 Ų | 63 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -34.8 | -177.5 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | E561 K562 S563 A569 | E561-S565 PolarHBondContact O-N 3.03Å; K562-S565 PolarHBondContact O-N 2.79Å; K562-S565 PolarHBondContact O-OG 3.37Å; S563-S565 PolarHBondContact O-N 2.93Å; S565-A569 WeakPolarHBondContact O-CB 3.18Å; S565-A569 PolarHBondContact O-N 3.1Å; S565-A569 VanDerWaalsContact O-N 3.16Å |
| 566 | E | 93.6 | Very high | 94.9 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.5 | -41.3 | 177.3 | -177 | 176.6 | -165.5 | 0 | 0 | 111.7 | K562 S563 A564 L699 R703 | K562-E566 PolarHBondContact O-N 3.24Å; S563-E566 PolarHBondContact O-N 3.1Å; A564-E566 VanDerWaalsContact C-N 3.3Å; A564-E566 PolarHBondContact O-N 3.43Å; E566-L699 HydrophobicContact CG-CD1 3.86Å; E566-R703 IonicContact OE1-NH2 2.81Å |
| 567 | F | 96 | Very high | 95 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -51.3 | 176.4 | -174.6 | -84.1 | 0 | 0 | 0 | 111 | I553 A554 Y557 H558 S563 A564 A569 I570 V571 D610 L611 L699 | I553-F567 HydrophobicContact CG2-CE2 4.11Å; A554-F567 HydrophobicContact CB-CE1 4.16Å; A554-F567 HydrophobicContact CB-CE2 4.42Å; A554-F567 HydrophobicContact CB-CZ 3.8Å; Y557-F567 HydrophobicContact CD1-CB 4.27Å; Y557-F567 HydrophobicContact CD2-CD2 4.27Å; Y557-F567 HydrophobicContact CG-CB 4.32Å; Y557-F567 HydrophobicContact CG-CD2 4.04Å; H558-F567 AromaticContact CE1-CD1 3.75Å; H558-F567 AromaticContact CE1-CE1 3.93Å; H558-F567 AromaticContact NE2-CD1 3.96Å; S563-F567 PolarHBondContact O-N 2.84Å; A564-F567 PolarHBondContact O-N 3.45Å; F567-A569 PolarHBondContact O-N 3.22Å; F567-I570 PolarHBondContact O-N 2.94Å; F567-V571 HydrophobicContact CD1-CG2 3.9Å; F567-V571 HydrophobicContact CE1-CG2 3.59Å; F567-V571 HydrophobicContact CZ-CG2 4.4Å; F567-V571 PolarHBondContact O-N 3.44Å; F567-V571 VanDerWaalsContact O-N 3.13Å; F567-D610 HydrophobicContact CE2-CB 4.35Å; F567-D610 HydrophobicContact CZ-CB 3.94Å; F567-D610 WeakPolarHBondContact CZ-O 3.46Å; F567-L611 HydrophobicContact CD1-CD2 4.22Å; F567-L611 HydrophobicContact CD2-CD2 3.62Å; F567-L611 HydrophobicContact CD2-CG 4.42Å; F567-L611 HydrophobicContact CE1-CD2 4.02Å; F567-L611 HydrophobicContact CE2-CD2 3.38Å; F567-L611 HydrophobicContact CE2-CG 3.78Å; F567-L611 HydrophobicContact CG-CD2 4.02Å; F567-L611 HydrophobicContact CZ-CD2 3.59Å; F567-L611 HydrophobicContact CZ-CG 4Å; F567-L699 HydrophobicContact CD2-CD2 4.24Å |
| 568 | D | 96.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -29.1 | -178.4 | -63.8 | -18.9 | 0 | 0 | 0 | 112 | H558 A564 I570 V571 A572 | H558-D568 IonicContact CD2-OD1 3.78Å; H558-D568 IonicContact CE1-OD1 3.77Å; H558-D568 IonicContact NE2-OD1 2.92Å; H558-D568 PolarHBondContact NE2-OD1 3.37Å; H558-D568 IonicContact NE2-OD2 3.4Å; A564-D568 WeakPolarHBondContact O-CB 3.39Å; A564-D568 PolarHBondContact O-N 2.69Å; D568-I570 VanDerWaalsContact C-N 3.35Å; D568-I570 PolarHBondContact O-N 2.92Å; D568-V571 PolarHBondContact O-N 3.12Å; D568-A572 PolarHBondContact O-N 3.34Å |
| 569 | A | 96.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S565 F567 Q573 | S565-A569 WeakPolarHBondContact O-CB 3.18Å; S565-A569 PolarHBondContact O-N 3.1Å; S565-A569 VanDerWaalsContact O-N 3.16Å; F567-A569 PolarHBondContact O-N 3.22Å; A569-Q573 WeakPolarHBondContact O-CG 3.32Å; A569-Q573 PolarHBondContact O-N 3.37Å |
| 570 | I | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76.5 | -38.8 | 175.7 | -63.6 | 170.7 | 0 | 0 | 0 | 110.1 | F567 D568 A572 Q573 T574 L611 L699 V702 R703 | F567-I570 PolarHBondContact O-N 2.94Å; D568-I570 VanDerWaalsContact C-N 3.35Å; D568-I570 PolarHBondContact O-N 2.92Å; I570-A572 VanDerWaalsContact C-N 3.28Å; I570-A572 PolarHBondContact O-N 3.26Å; I570-Q573 WeakPolarHBondContact O-CB 3.39Å; I570-Q573 PolarHBondContact O-N 2.87Å; I570-T574 PolarHBondContact O-N 3.32Å; I570-L611 HydrophobicContact CB-CD2 3.94Å; I570-L611 HydrophobicContact CG2-CB 4.35Å; I570-L611 HydrophobicContact CG2-CD1 4.31Å; I570-L611 HydrophobicContact CG2-CD2 3.89Å; I570-L611 HydrophobicContact CG2-CG 4.42Å; I570-L699 HydrophobicContact CD1-CB 3.74Å; I570-L699 HydrophobicContact CD1-CD1 4.35Å; I570-L699 HydrophobicContact CD1-CD2 4.16Å; I570-L699 HydrophobicContact CD1-CG 4.29Å; I570-L699 WeakPolarHBondContact CD1-O 3.18Å; I570-V702 HydrophobicContact CG2-CG1 3.98Å; I570-R703 HydrophobicContact CD1-CB 4.41Å |
| 571 | V | 97.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 172.7 | 176 | 0 | 0 | 0 | 0 | 110.8 | F567 D568 Q573 T574 E575 L611 | F567-V571 HydrophobicContact CD1-CG2 3.9Å; F567-V571 HydrophobicContact CE1-CG2 3.59Å; F567-V571 HydrophobicContact CZ-CG2 4.4Å; F567-V571 PolarHBondContact O-N 3.44Å; F567-V571 VanDerWaalsContact O-N 3.13Å; D568-V571 PolarHBondContact O-N 3.12Å; V571-Q573 VanDerWaalsContact C-N 3.26Å; V571-Q573 PolarHBondContact O-N 2.85Å; V571-T574 PolarHBondContact O-N 2.96Å; V571-T574 PolarHBondContact O-OG1 3.17Å; V571-E575 HydrophobicContact CG1-CG 4.44Å; V571-E575 WeakPolarHBondContact O-CG 2.96Å; V571-E575 PolarHBondContact O-N 3.4Å; V571-L611 HydrophobicContact CG2-CD2 4.12Å |
| 572 | A | 97.2 | Very high | 95.6 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D568 I570 Q576 | D568-A572 PolarHBondContact O-N 3.34Å; I570-A572 VanDerWaalsContact C-N 3.28Å; I570-A572 PolarHBondContact O-N 3.26Å; A572-Q576 WeakPolarHBondContact O-CB 3.15Å; A572-Q576 PolarHBondContact O-N 3.17Å |
| 573 | Q | 96.2 | Very high | 95.9 | Very high | 72 Ų | 72 | 56 Ų | 56 | 34% | 0.336 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 175.8 | -66.8 | 172.4 | 16.2 | 0 | 0 | 112.1 | A569 I570 V571 Q576 F577 L706 | A569-Q573 WeakPolarHBondContact O-CG 3.32Å; A569-Q573 PolarHBondContact O-N 3.37Å; I570-Q573 WeakPolarHBondContact O-CB 3.39Å; I570-Q573 PolarHBondContact O-N 2.87Å; V571-Q573 VanDerWaalsContact C-N 3.26Å; V571-Q573 PolarHBondContact O-N 2.85Å; Q573-Q576 PolarHBondContact O-N 2.86Å; Q573-F577 PolarHBondContact O-N 2.89Å; Q573-L706 HydrophobicContact CB-CD2 3.48Å; Q573-L706 VanDerWaalsContact CB-CD2 3.48Å |
| 574 | T | 97 | Very high | 96.1 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.9 | -33.3 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | I570 V571 F577 L578 P585 L611 F613 L706 | I570-T574 PolarHBondContact O-N 3.32Å; V571-T574 PolarHBondContact O-N 2.96Å; V571-T574 PolarHBondContact O-OG1 3.17Å; T574-F577 PolarHBondContact O-N 3.28Å; T574-L578 PolarHBondContact O-N 3.43Å; T574-P585 HydrophobicContact CG2-CG 4.11Å; T574-L611 WeakPolarHBondContact CB-O 3.46Å; T574-L611 VanDerWaalsContact CG2-O 3.27Å; T574-L611 WeakPolarHBondContact CG2-O 3.45Å; T574-L611 PolarHBondContact OG1-O 2.72Å; T574-F613 HydrophobicContact CG2-CD2 3.88Å; T574-F613 HydrophobicContact CG2-CE2 3.53Å; T574-F613 HydrophobicContact CG2-CZ 4.41Å; T574-L706 HydrophobicContact CG2-CD1 4.38Å; T574-L706 HydrophobicContact CG2-CD2 3.85Å |
| 575 | E | 97.1 | Very high | 96.3 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 169.3 | -72.9 | -179.2 | 159.8 | 0 | 0 | 111.9 | V571 L578 A579 | V571-E575 HydrophobicContact CG1-CG 4.44Å; V571-E575 WeakPolarHBondContact O-CG 2.96Å; V571-E575 PolarHBondContact O-N 3.4Å; E575-L578 WeakPolarHBondContact O-CB 3.49Å; E575-L578 PolarHBondContact O-N 3.34Å; E575-A579 PolarHBondContact O-N 2.88Å |
| 576 | Q | 96.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 174.1 | -173.9 | 59.3 | 55.6 | 0 | 0 | 111.4 | A572 Q573 L578 A579 D580 | A572-Q576 WeakPolarHBondContact O-CB 3.15Å; A572-Q576 PolarHBondContact O-N 3.17Å; Q573-Q576 PolarHBondContact O-N 2.86Å; Q576-L578 VanDerWaalsContact C-N 3.27Å; Q576-L578 PolarHBondContact O-N 3.25Å; Q576-A579 WeakPolarHBondContact O-CB 3.3Å; Q576-A579 PolarHBondContact O-N 3.24Å; Q576-D580 PolarHBondContact NE2-OD1 2.91Å; Q576-D580 PolarHBondContact NE2-OD2 3.23Å; Q576-D580 PolarHBondContact O-N 3.46Å |
| 577 | F | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.1 | -43.3 | 174.1 | -174.8 | -79 | 0 | 0 | 0 | 111.6 | Q573 T574 D580 N581 R583 P585 H637 L706 I709 | Q573-F577 PolarHBondContact O-N 2.89Å; T574-F577 PolarHBondContact O-N 3.28Å; F577-D580 PolarHBondContact O-N 3.5Å; F577-N581 HydrophobicContact CD1-CB 4.26Å; F577-N581 HydrophobicContact CE1-CB 3.93Å; F577-N581 HydrophobicContact CZ-CB 4.35Å; F577-N581 WeakPolarHBondContact O-CB 3.47Å; F577-N581 PolarHBondContact O-N 2.93Å; F577-N581 PolarHBondContact O-ND2 3.48Å; F577-R583 WeakPolarHBondContact CD1-O 3.38Å; F577-P585 HydrophobicContact CD1-CB 3.9Å; F577-P585 HydrophobicContact CD1-CG 4.18Å; F577-P585 HydrophobicContact CE1-CB 3.9Å; F577-P585 HydrophobicContact CG-CB 4.29Å; F577-P585 HydrophobicContact CG-CG 4.46Å; F577-P585 HydrophobicContact CZ-CB 4.28Å; F577-H637 AromaticContact CE1-NE2 3.9Å; F577-H637 AromaticContact CZ-CD2 3.9Å; F577-H637 AromaticContact CZ-NE2 3.79Å; F577-L706 HydrophobicContact CB-CD1 4.32Å; F577-L706 HydrophobicContact CD2-CD1 4.03Å; F577-L706 HydrophobicContact CG-CD1 4.3Å; F577-I709 HydrophobicContact CE2-CD1 4.08Å; F577-I709 HydrophobicContact CE2-CG1 4.02Å; F577-I709 HydrophobicContact CZ-CD1 4.25Å |
| 578 | L | 96.7 | Very high | 96.8 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.8 | 170.3 | 62.7 | 0 | 0 | 0 | 112.2 | T574 E575 Q576 D580 G582 R583 R584 | T574-L578 PolarHBondContact O-N 3.43Å; E575-L578 WeakPolarHBondContact O-CB 3.49Å; E575-L578 PolarHBondContact O-N 3.34Å; Q576-L578 VanDerWaalsContact C-N 3.27Å; Q576-L578 PolarHBondContact O-N 3.25Å; L578-D580 VanDerWaalsContact C-N 3.34Å; L578-G582 VanDerWaalsContact O-CA 3.32Å; L578-G582 WeakPolarHBondContact O-CA 3.43Å; L578-G582 PolarHBondContact O-N 3.26Å; L578-R583 WeakPolarHBondContact CA-O 3.36Å; L578-R583 VanDerWaalsContact CD1-CA 3.5Å; L578-R584 HydrophobicContact CD1-CG 4.26Å; L578-R584 HydrophobicContact CD2-CG 4.24Å |
| 579 | A | 96.5 | Very high | 96.8 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E575 Q576 | E575-A579 PolarHBondContact O-N 2.88Å; Q576-A579 WeakPolarHBondContact O-CB 3.3Å; Q576-A579 PolarHBondContact O-N 3.24Å |
| 580 | D | 95 | Very high | 96.9 | Very high | 113 Ų | 113 | 51 Ų | 51 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -80.5 | -35.7 | -175.8 | -64.5 | -27.2 | 0 | 0 | 0 | 112.9 | Q576 F577 L578 | Q576-D580 PolarHBondContact NE2-OD1 2.91Å; Q576-D580 PolarHBondContact NE2-OD2 3.23Å; Q576-D580 PolarHBondContact O-N 3.46Å; F577-D580 PolarHBondContact O-N 3.5Å; L578-D580 VanDerWaalsContact C-N 3.34Å |
| 581 | N | 93.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -105 | -8.1 | -173.7 | -64.3 | -86.5 | 0 | 0 | 0 | 113.9 | F577 R583 | F577-N581 HydrophobicContact CD1-CB 4.26Å; F577-N581 HydrophobicContact CE1-CB 3.93Å; F577-N581 HydrophobicContact CZ-CB 4.35Å; F577-N581 WeakPolarHBondContact O-CB 3.47Å; F577-N581 PolarHBondContact O-N 2.93Å; F577-N581 PolarHBondContact O-ND2 3.48Å; N581-R583 PolarHBondContact O-N 3.47Å |
| 582 | G | 96 | Very high | 96.8 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 72 | 5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L578 | L578-G582 VanDerWaalsContact O-CA 3.32Å; L578-G582 WeakPolarHBondContact O-CA 3.43Å; L578-G582 PolarHBondContact O-N 3.26Å |
| 583 | R | 96.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -150.8 | 157.7 | 175.5 | 66.8 | -178.6 | -173.6 | 177 | 4.2 | 110.9 | F577 L578 N581 D635 H637 | F577-R583 WeakPolarHBondContact CD1-O 3.38Å; L578-R583 WeakPolarHBondContact CA-O 3.36Å; L578-R583 VanDerWaalsContact CD1-CA 3.5Å; N581-R583 PolarHBondContact O-N 3.47Å; R583-D635 IonicContact CZ-OD2 3.53Å; R583-D635 IonicContact NH1-OD2 3.76Å; R583-D635 PolarHBondContact NH1-OD2 3.01Å; R583-D635 IonicContact NH2-OD2 3.52Å; R583-H637 VanDerWaalsContact CZ-CE1 3.5Å; R583-H637 VanDerWaalsContact CZ-NE2 3.33Å; R583-H637 PolarHBondContact NE-CE1 3.02Å; R583-H637 PolarHBondContact NE-NE2 2.99Å; R583-H637 PolarHBondContact NH2-CE1 3.33Å; R583-H637 PolarHBondContact NH2-NE2 2.91Å |
| 584 | R | 97.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | trans | -67 | 154 | 175.7 | -74.4 | 173.8 | 173.5 | -176.4 | -4.5 | 110.9 | L578 R586 G612 D614 H637 | L578-R584 HydrophobicContact CD1-CG 4.26Å; L578-R584 HydrophobicContact CD2-CG 4.24Å; R584-R586 PolarHBondContact O-N 2.94Å; R584-G612 WeakPolarHBondContact CD-O 3.24Å; R584-D614 VanDerWaalsContact CD-OD1 3.27Å; R584-D614 WeakPolarHBondContact CD-OD1 3.49Å; R584-D614 IonicContact NH1-OD1 2.8Å; R584-H637 PolarHBondContact O-CE1 2.72Å | ||
| 585 | P | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -61.8 | 134.1 | 167.7 | 30.2 | -34.4 | 0 | 0 | 0 | 108.4 | T574 F577 F613 D614 L706 I709 | T574-P585 HydrophobicContact CG2-CG 4.11Å; F577-P585 HydrophobicContact CD1-CB 3.9Å; F577-P585 HydrophobicContact CD1-CG 4.18Å; F577-P585 HydrophobicContact CE1-CB 3.9Å; F577-P585 HydrophobicContact CG-CB 4.29Å; F577-P585 HydrophobicContact CG-CG 4.46Å; F577-P585 HydrophobicContact CZ-CB 4.28Å; P585-F613 HydrophobicContact CB-CD1 3.58Å; P585-F613 HydrophobicContact CB-CE1 3.49Å; P585-F613 VanDerWaalsContact CB-CE1 3.49Å; P585-F613 HydrophobicContact CB-CG 4.25Å; P585-F613 HydrophobicContact CB-CZ 4.07Å; P585-F613 HydrophobicContact CG-CD1 3.6Å; P585-F613 HydrophobicContact CG-CD2 3.96Å; P585-F613 HydrophobicContact CG-CE1 3.71Å; P585-F613 HydrophobicContact CG-CE2 4.02Å; P585-F613 HydrophobicContact CG-CG 3.75Å; P585-F613 HydrophobicContact CG-CZ 3.9Å; P585-F613 CarbonylContact O-C 3.44Å; P585-F613 VanDerWaalsContact O-CA 3.29Å; P585-F613 WeakPolarHBondContact O-CA 3.35Å; P585-F613 WeakPolarHBondContact O-CB 3.46Å; P585-F613 WeakPolarHBondContact O-CD1 3.34Å; P585-D614 PolarHBondContact O-N 2.78Å; P585-L706 HydrophobicContact CB-CD1 4.14Å; P585-L706 HydrophobicContact CG-CD1 4.11Å; P585-I709 HydrophobicContact CB-CD1 3.56Å | ||
| 586 | R | 98.2 | Very high | 96.6 | Very high | 70 Ų | 70 | 39.1 Ų | 39.1 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.2 | -171.2 | -169.6 | 176.9 | -174 | 162.2 | 10.1 | 110.6 | R584 D614 D616 N634 V636 H637 V638 | R584-R586 PolarHBondContact O-N 2.94Å; R586-D614 VanDerWaalsContact CA-O 3.28Å; R586-D614 WeakPolarHBondContact CA-O 3.35Å; R586-D614 HydrophobicContact CB-CB 4.24Å; R586-D614 HydrophobicContact CG-CB 3.95Å; R586-D614 WeakPolarHBondContact CG-O 3.42Å; R586-D616 IonicContact CZ-OD1 3.69Å; R586-D616 IonicContact CZ-OD2 2.68Å; R586-D616 VanDerWaalsContact CZ-OD2 3.23Å; R586-D616 IonicContact NE-OD1 3.57Å; R586-D616 IonicContact NE-OD2 3.24Å; R586-D616 PolarHBondContact NE-OD2 2.61Å; R586-D616 IonicContact NH2-OD1 3.12Å; R586-D616 PolarHBondContact NH2-OD1 3.25Å; R586-D616 IonicContact NH2-OD2 2.78Å; R586-D616 PolarHBondContact NH2-OD2 2.92Å; R586-N634 WeakPolarHBondContact CD-O 3.34Å; R586-N634 VanDerWaalsContact CZ-O 3.26Å; R586-N634 PolarHBondContact NE-O 3.34Å; R586-N634 PolarHBondContact NH1-O 3.04Å; R586-V636 HydrophobicContact CG-CB 4.39Å; R586-V636 HydrophobicContact CG-CG1 4.01Å; R586-H637 PolarHBondContact N-ND1 2.78Å; R586-H637 PolarHBondContact O-N 3.08Å; R586-V638 PolarHBondContact O-N 3.22Å |
| 587 | I | 98.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.5 | -177.7 | -179.2 | 163.9 | 0 | 0 | 0 | 110.9 | I589 Y608 F613 D614 V615 D616 V638 | I587-I589 HydrophobicContact CD1-CG1 4.08Å; I587-I589 HydrophobicContact CG1-CG1 4.02Å; I587-Y608 HydrophobicContact CB-CD1 4.4Å; I587-Y608 HydrophobicContact CD1-CD1 4.01Å; I587-Y608 HydrophobicContact CD1-CE1 3.58Å; I587-Y608 HydrophobicContact CG2-CD1 3.66Å; I587-Y608 HydrophobicContact CG2-CE1 4.28Å; I587-Y608 HydrophobicContact CG2-CG 4.24Å; I587-F613 HydrophobicContact CG2-CB 4.45Å; I587-F613 HydrophobicContact CG2-CD1 4.16Å; I587-D614 PolarHBondContact N-O 2.91Å; I587-V615 HydrophobicContact CG2-CB 4.38Å; I587-V615 HydrophobicContact CG2-CG1 4.32Å; I587-V615 HydrophobicContact CG2-CG2 3.92Å; I587-D616 PolarHBondContact O-N 3.18Å; I587-V638 WeakPolarHBondContact CA-O 3.09Å; I587-V638 HydrophobicContact CB-CG1 3.78Å; I587-V638 HydrophobicContact CD1-CG1 4.08Å; I587-V638 HydrophobicContact CG1-CG1 3.84Å |
| 588 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.3 | 163.2 | 174.2 | 62 | 0 | 0 | 0 | 109.1 | D616 I627 L630 A631 V636 V638 V639 G640 | L588-D616 WeakPolarHBondContact CA-O 3.21Å; L588-D616 HydrophobicContact CD1-CB 3.8Å; L588-I627 HydrophobicContact CD2-CG2 4Å; L588-L630 HydrophobicContact CD1-CD2 3.77Å; L588-L630 HydrophobicContact CD1-CG 4.35Å; L588-L630 HydrophobicContact CD2-CB 4.26Å; L588-L630 HydrophobicContact CD2-CD2 4.1Å; L588-L630 HydrophobicContact CD2-CG 4.11Å; L588-A631 HydrophobicContact CD2-CB 3.96Å; L588-V636 HydrophobicContact CB-CG1 4.04Å; L588-V636 HydrophobicContact CB-CG2 4.19Å; L588-V638 PolarHBondContact N-O 3.5Å; L588-V639 HydrophobicContact CB-CG2 4.39Å; L588-V639 HydrophobicContact CD2-CG2 4.45Å; L588-V639 CarbonylContact O-C 3.54Å; L588-V639 WeakPolarHBondContact O-CA 3.42Å; L588-G640 PolarHBondContact O-N 2.91Å |
| 589 | I | 97.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.9 | 171.5 | -61.7 | 173.8 | 0 | 0 | 0 | 108 | I587 A601 I604 A605 V615 D616 L617 S618 | I587-I589 HydrophobicContact CD1-CG1 4.08Å; I587-I589 HydrophobicContact CG1-CG1 4.02Å; I589-A601 HydrophobicContact CG2-CB 3.78Å; I589-I604 HydrophobicContact CD1-CG2 4Å; I589-A605 HydrophobicContact CD1-CB 3.61Å; I589-V615 HydrophobicContact CD1-CG1 4.05Å; I589-D616 PolarHBondContact N-O 2.87Å; I589-L617 HydrophobicContact CB-CD2 3.81Å; I589-L617 HydrophobicContact CD1-CD2 4.48Å; I589-L617 HydrophobicContact CG2-CD2 4.14Å; I589-S618 PolarHBondContact O-N 3.16Å; I589-S618 VanDerWaalsContact O-N 3.08Å |
| 590 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I627 V639 G640 S642 | A590-I627 HydrophobicContact CB-CD1 3.91Å; A590-I627 HydrophobicContact CB-CG1 4.18Å; A590-I627 HydrophobicContact CB-CG2 3.75Å; A590-V639 HydrophobicContact CB-CG1 3.88Å; A590-G640 PolarHBondContact N-O 2.74Å; A590-S642 PolarHBondContact O-N 3.45Å |
| 591 | K | 96.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | trans | -108.9 | 121.1 | 164 | -65.5 | -59.8 | -55.9 | -178.2 | 0 | 108.7 | D595 H597 A601 S618 M620 S642 | K591-D595 WeakPolarHBondContact CE-O 3.43Å; K591-D595 IonicContact NZ-OD1 2.77Å; K591-D595 IonicContact NZ-OD2 2.55Å; K591-D595 PolarHBondContact NZ-OD2 3.4Å; K591-H597 WeakPolarHBondContact CE-O 3.43Å; K591-H597 PolarHBondContact NZ-O 2.62Å; K591-A601 HydrophobicContact CD-CB 4.24Å; K591-S618 PolarHBondContact N-OG 3.42Å; K591-M620 HydrophobicContact CB-SD 4.07Å; K591-M620 HydrophobicContact CG-CE 4.38Å; K591-M620 HydrophobicContact CG-SD 3.84Å; K591-S642 WeakPolarHBondContact CD-O 3.43Å; K591-S642 WeakPolarHBondContact CE-O 3.48Å; K591-S642 PolarHBondContact NZ-O 3.25Å | ||
| 592 | M | 96.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 7% | 0.069 | 15% | 0.15 | C | C | . | . | B | Isolated β-bridge | trans | -115 | 157.6 | -178.6 | -67.6 | -178.8 | -69.2 | 0 | 0 | 111.7 | S622 P624 I627 A641 L651 I652 L655 | M592-S622 VanDerWaalsContact CA-O 3.31Å; M592-S622 WeakPolarHBondContact CA-O 2.94Å; M592-P624 HydrophobicContact SD-CB 4.28Å; M592-P624 HydrophobicContact SD-CG 4.17Å; M592-I627 HydrophobicContact CG-CG1 3.7Å; M592-I627 HydrophobicContact SD-CG1 4.29Å; M592-A641 HydrophobicContact CE-CB 3.78Å; M592-L651 HydrophobicContact CB-CB 4.26Å; M592-L651 HydrophobicContact CB-CD1 4.1Å; M592-L651 HydrophobicContact CE-CB 4.36Å; M592-I652 HydrophobicContact CE-CG1 3.9Å; M592-L655 HydrophobicContact CE-CB 4.39Å; M592-L655 HydrophobicContact CE-CD2 3.92Å; M592-L655 HydrophobicContact SD-CB 3.9Å; M592-L655 HydrophobicContact SD-CD2 3.92Å; M592-L655 HydrophobicContact SD-CG 4.38Å |
| 593 | G | 95.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -146.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F621 S622 | G593-F621 WeakPolarHBondContact O-CA 3.24Å; G593-S622 PolarHBondContact N-O 3.09Å; G593-S622 VanDerWaalsContact N-O 3.11Å |
| 594 | Q | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 9.6 | 178.8 | -58.2 | -49.4 | -58.8 | 0 | 0 | 113.6 | L108 R120 V121 D124 G596 | L108-Q594 HydrophobicContact CB-CB 3.55Å; L108-Q594 HydrophobicContact CD1-CB 4.36Å; R120-Q594 PolarHBondContact O-NE2 2.85Å; V121-Q594 HydrophobicContact CB-CG 4.31Å; V121-Q594 HydrophobicContact CG1-CG 3.6Å; D124-Q594 HydrophobicContact CB-CB 4.33Å; D124-Q594 HydrophobicContact CB-CG 4.31Å; D124-Q594 VanDerWaalsContact CG-N 3.34Å; D124-Q594 PolarHBondContact OD1-N 2.87Å; D124-Q594 WeakPolarHBondContact OD2-CG 3Å; D124-Q594 PolarHBondContact OD2-N 2.87Å; Q594-G596 PolarHBondContact O-N 3.44Å; Q594-G596 VanDerWaalsContact O-N 3.11Å |
| 595 | D | 96 | Very high | 96.4 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | trans | -64.2 | 109.4 | -175.6 | -174.1 | 3.3 | 0 | 0 | 0 | 112.8 | K591 H597 M620 L644 A645 | K591-D595 WeakPolarHBondContact CE-O 3.43Å; K591-D595 IonicContact NZ-OD1 2.77Å; K591-D595 IonicContact NZ-OD2 2.55Å; K591-D595 PolarHBondContact NZ-OD2 3.4Å; D595-H597 WeakPolarHBondContact OD1-CB 3.47Å; D595-H597 IonicContact OD1-CE1 2.85Å; D595-H597 IonicContact OD1-CG 3.65Å; D595-H597 PolarHBondContact OD1-N 3.14Å; D595-H597 IonicContact OD1-ND1 2.93Å; D595-H597 PolarHBondContact OD1-ND1 3.21Å; D595-M620 VanDerWaalsContact O-CE 3.28Å; D595-M620 WeakPolarHBondContact O-CE 3.25Å; D595-L644 PolarHBondContact OD2-N 3.14Å; D595-A645 HydrophobicContact CB-CB 3.76Å | ||
| 596 | G | 94.6 | Very high | 96.3 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 5% | 0.052 | 10% | 0.096 | C | C | . | . | trans | -82.9 | -10.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N197 Q594 D598 | N197-G596 PolarHBondContact ND2-O 2.87Å; Q594-G596 PolarHBondContact O-N 3.44Å; Q594-G596 VanDerWaalsContact O-N 3.11Å; G596-D598 PolarHBondContact O-N 3.38Å; G596-D598 VanDerWaalsContact O-N 3.16Å | ||
| 597 | H | 94.8 | Very high | 96.2 | Very high | 100 Ų | 100 | 14.8 Ų | 14.8 | 46% | 0.463 | 8% | 0.083 | S | C | . | . | trans | -73.9 | 109.3 | -173.7 | -57 | 93.5 | 0 | 0 | 0 | 111 | K591 D595 L644 | K591-H597 WeakPolarHBondContact CE-O 3.43Å; K591-H597 PolarHBondContact NZ-O 2.62Å; D595-H597 WeakPolarHBondContact OD1-CB 3.47Å; D595-H597 IonicContact OD1-CE1 2.85Å; D595-H597 IonicContact OD1-CG 3.65Å; D595-H597 PolarHBondContact OD1-N 3.14Å; D595-H597 IonicContact OD1-ND1 2.93Å; D595-H597 PolarHBondContact OD1-ND1 3.21Å; H597-L644 HydrophobicContact CB-CB 3.94Å; H597-L644 HydrophobicContact CB-CD1 4.16Å; H597-L644 HydrophobicContact CB-CD2 3.94Å; H597-L644 HydrophobicContact CB-CG 4.23Å | ||
| 598 | D | 95 | Very high | 96.2 | Very high | 12 Ų | 12 | 14.9 Ų | 14.9 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | trans | -112.2 | -10 | -176.7 | 69.8 | -12.1 | 0 | 0 | 0 | 114.1 | N197 K432 G596 G600 A601 K602 | N197-D598 PolarHBondContact ND2-OD2 3.48Å; K432-D598 IonicContact NZ-OD2 3.49Å; K432-D598 PolarHBondContact NZ-OD2 3.27Å; G596-D598 PolarHBondContact O-N 3.38Å; G596-D598 VanDerWaalsContact O-N 3.16Å; D598-G600 PolarHBondContact O-N 3.5Å; D598-A601 PolarHBondContact O-N 3.4Å; D598-A601 VanDerWaalsContact O-N 3.17Å; D598-K602 HydrophobicContact CB-CG 4.11Å; D598-K602 WeakPolarHBondContact O-CB 3.38Å; D598-K602 WeakPolarHBondContact O-CG 3.32Å; D598-K602 PolarHBondContact O-N 3.12Å | ||
| 599 | R | 95.5 | Very high | 96.1 | Very high | 35 Ų | 35 | 17.1 Ų | 17.1 | 13% | 0.132 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -49.2 | -57.6 | -178.8 | -179.5 | 177.4 | -179 | 174.9 | -3.7 | 113.1 | E236 A237 W323 S439 K602 V603 | E236-R599 WeakPolarHBondContact O-CD 3.37Å; E236-R599 PolarHBondContact O-NH1 3.02Å; A237-R599 WeakPolarHBondContact O-CD 3.29Å; W323-R599 VanDerWaalsContact CD1-CZ 3.5Å; W323-R599 VanDerWaalsContact CE2-CZ 3.4Å; S439-R599 WeakPolarHBondContact OG-CG 3.17Å; S439-R599 PolarHBondContact OG-NE 3.48Å; R599-K602 PolarHBondContact O-N 2.9Å; R599-V603 WeakPolarHBondContact O-CG2 3.05Å; R599-V603 PolarHBondContact O-N 3.34Å |
| 600 | G | 94.6 | Very high | 96 | Very high | 37 Ų | 37 | 18 Ų | 18 | 38% | 0.381 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | D598 K602 V603 I604 | D598-G600 PolarHBondContact O-N 3.5Å; G600-K602 PolarHBondContact O-N 2.91Å; G600-V603 PolarHBondContact O-N 3.16Å; G600-I604 WeakPolarHBondContact O-CB 3.48Å; G600-I604 VanDerWaalsContact O-CG1 3.27Å; G600-I604 WeakPolarHBondContact O-CG1 3.13Å; G600-I604 PolarHBondContact O-N 3.41Å |
| 601 | A | 95.9 | Very high | 96 | Very high | 6 Ų | 6 | 18 Ų | 18 | 5% | 0.05 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I589 K591 D598 A605 | I589-A601 HydrophobicContact CG2-CB 3.78Å; K591-A601 HydrophobicContact CD-CB 4.24Å; D598-A601 PolarHBondContact O-N 3.4Å; D598-A601 VanDerWaalsContact O-N 3.17Å; A601-A605 WeakPolarHBondContact O-CB 3.22Å; A601-A605 PolarHBondContact O-N 3.15Å |
| 602 | K | 95.3 | Very high | 96 | Very high | 14 Ų | 14 | 18.4 Ų | 18.4 | 6% | 0.061 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.6 | -40.5 | -179.3 | -65.4 | -70.9 | -179 | -174.6 | 0 | 112.7 | Q547 C548 D598 R599 G600 A605 S606 L617 | Q547-K602 VanDerWaalsContact O-CD 3.24Å; Q547-K602 WeakPolarHBondContact O-CD 3.32Å; Q547-K602 WeakPolarHBondContact O-CE 3.36Å; Q547-K602 PolarHBondContact O-NZ 2.76Å; C548-K602 HydrophobicContact CB-CD 4.13Å; D598-K602 HydrophobicContact CB-CG 4.11Å; D598-K602 WeakPolarHBondContact O-CB 3.38Å; D598-K602 WeakPolarHBondContact O-CG 3.32Å; D598-K602 PolarHBondContact O-N 3.12Å; R599-K602 PolarHBondContact O-N 2.9Å; G600-K602 PolarHBondContact O-N 2.91Å; K602-A605 PolarHBondContact O-N 2.87Å; K602-S606 WeakPolarHBondContact O-CB 3.33Å; K602-S606 PolarHBondContact O-N 2.94Å; K602-L617 HydrophobicContact CD-CD1 4.34Å |
| 603 | V | 95.7 | Very high | 96.1 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 6% | 0.061 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.6 | -45.9 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | Q443 R599 G600 S606 A607 M698 | Q443-V603 HydrophobicContact CB-CG1 3.74Å; Q443-V603 HydrophobicContact CG-CG1 3.74Å; R599-V603 WeakPolarHBondContact O-CG2 3.05Å; R599-V603 PolarHBondContact O-N 3.34Å; G600-V603 PolarHBondContact O-N 3.16Å; V603-S606 WeakPolarHBondContact O-CB 3.43Å; V603-S606 PolarHBondContact O-N 3.37Å; V603-A607 PolarHBondContact O-N 3.45Å; V603-M698 HydrophobicContact CG1-SD 4.02Å |
| 604 | I | 96.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 20.8 Ų | 20.8 | 25% | 0.251 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 174 | -66.3 | -56.8 | 0 | 0 | 0 | 110.8 | I589 G600 S606 A607 Y608 M698 | I589-I604 HydrophobicContact CD1-CG2 4Å; G600-I604 WeakPolarHBondContact O-CB 3.48Å; G600-I604 VanDerWaalsContact O-CG1 3.27Å; G600-I604 WeakPolarHBondContact O-CG1 3.13Å; G600-I604 PolarHBondContact O-N 3.41Å; I604-S606 VanDerWaalsContact C-N 3.33Å; I604-S606 PolarHBondContact O-N 2.77Å; I604-A607 VanDerWaalsContact O-CB 3.32Å; I604-A607 WeakPolarHBondContact O-CB 3.28Å; I604-A607 PolarHBondContact O-N 3.33Å; I604-A607 VanDerWaalsContact O-N 3.07Å; I604-Y608 HydrophobicContact CG2-CD2 3.5Å; I604-Y608 HydrophobicContact CG2-CE2 3.4Å; I604-Y608 VanDerWaalsContact O-CD2 3.23Å; I604-Y608 WeakPolarHBondContact O-CD2 3.19Å; I604-Y608 PolarHBondContact O-N 2.89Å; I604-M698 HydrophobicContact CD1-CB 4.33Å; I604-M698 HydrophobicContact CD1-CG 3.85Å |
| 605 | A | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C548 I589 A601 K602 A607 S609 V615 L617 | C548-A605 HydrophobicContact CB-CB 4.09Å; I589-A605 HydrophobicContact CD1-CB 3.61Å; A601-A605 WeakPolarHBondContact O-CB 3.22Å; A601-A605 PolarHBondContact O-N 3.15Å; K602-A605 PolarHBondContact O-N 2.87Å; A605-A607 VanDerWaalsContact C-N 3.29Å; A605-A607 PolarHBondContact O-N 2.99Å; A605-S609 WeakPolarHBondContact O-CB 3.46Å; A605-S609 PolarHBondContact O-N 2.89Å; A605-V615 HydrophobicContact CB-CG1 3.97Å; A605-L617 HydrophobicContact CB-CD1 4.35Å; A605-L617 HydrophobicContact CB-CD2 3.66Å; A605-L617 HydrophobicContact CB-CG 4.35Å |
| 606 | S | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.2 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | V549 K602 V603 I604 S609 D610 | V549-S606 WeakPolarHBondContact O-CB 3.5Å; V549-S606 PolarHBondContact O-OG 3.31Å; K602-S606 WeakPolarHBondContact O-CB 3.33Å; K602-S606 PolarHBondContact O-N 2.94Å; V603-S606 WeakPolarHBondContact O-CB 3.43Å; V603-S606 PolarHBondContact O-N 3.37Å; I604-S606 VanDerWaalsContact C-N 3.33Å; I604-S606 PolarHBondContact O-N 2.77Å; S606-S609 PolarHBondContact O-N 2.95Å; S606-D610 WeakPolarHBondContact O-CB 3.26Å; S606-D610 PolarHBondContact O-N 3.25Å |
| 607 | A | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | I553 V603 I604 A605 S609 D610 L611 M698 | I553-A607 VanDerWaalsContact CD1-CA 3.49Å; I553-A607 HydrophobicContact CD1-CB 3.67Å; I553-A607 VanDerWaalsContact CD1-N 3.33Å; V603-A607 PolarHBondContact O-N 3.45Å; I604-A607 VanDerWaalsContact O-CB 3.32Å; I604-A607 WeakPolarHBondContact O-CB 3.28Å; I604-A607 PolarHBondContact O-N 3.33Å; I604-A607 VanDerWaalsContact O-N 3.07Å; A605-A607 VanDerWaalsContact C-N 3.29Å; A605-A607 PolarHBondContact O-N 2.99Å; A607-S609 VanDerWaalsContact C-N 3.28Å; A607-S609 PolarHBondContact O-N 2.89Å; A607-D610 PolarHBondContact O-N 3.48Å; A607-L611 WeakPolarHBondContact O-CB 3.34Å; A607-L611 WeakPolarHBondContact O-CD1 3.47Å; A607-L611 WeakPolarHBondContact O-CG 3.32Å; A607-L611 PolarHBondContact O-N 2.89Å; A607-M698 HydrophobicContact CB-CE 3.94Å; A607-M698 HydrophobicContact CB-CG 3.37Å; A607-M698 HydrophobicContact CB-SD 3.19Å; A607-M698 WeakPolarHBondContact CB-SD 3.27Å |
| 608 | Y | 97.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 178.8 | -86.2 | -108.5 | 0 | 0 | 0 | 110.4 | I587 I604 L611 G612 F613 V702 V705 | I587-Y608 HydrophobicContact CB-CD1 4.4Å; I587-Y608 HydrophobicContact CD1-CD1 4.01Å; I587-Y608 HydrophobicContact CD1-CE1 3.58Å; I587-Y608 HydrophobicContact CG2-CD1 3.66Å; I587-Y608 HydrophobicContact CG2-CE1 4.28Å; I587-Y608 HydrophobicContact CG2-CG 4.24Å; I604-Y608 HydrophobicContact CG2-CD2 3.5Å; I604-Y608 HydrophobicContact CG2-CE2 3.4Å; I604-Y608 VanDerWaalsContact O-CD2 3.23Å; I604-Y608 WeakPolarHBondContact O-CD2 3.19Å; I604-Y608 PolarHBondContact O-N 2.89Å; Y608-L611 PolarHBondContact O-N 2.92Å; Y608-G612 PolarHBondContact O-N 3.13Å; Y608-F613 HydrophobicContact CD1-CB 4.17Å; Y608-F613 AromaticContact CD1-CD1 3.5Å; Y608-F613 HydrophobicContact CD1-CD1 3.5Å; Y608-F613 AromaticContact CD1-CD2 3.81Å; Y608-F613 HydrophobicContact CD1-CD2 3.81Å; Y608-F613 AromaticContact CD1-CE1 3.68Å; Y608-F613 HydrophobicContact CD1-CE1 3.68Å; Y608-F613 HydrophobicContact CD1-CE2 4.01Å; Y608-F613 AromaticContact CD1-CG 3.56Å; Y608-F613 HydrophobicContact CD1-CG 3.56Å; Y608-F613 AromaticContact CD1-CZ 3.94Å; Y608-F613 HydrophobicContact CD1-CZ 3.94Å; Y608-F613 AromaticContact CE1-CD1 3.99Å; Y608-F613 HydrophobicContact CE1-CD1 3.99Å; Y608-F613 AromaticContact CE1-CE1 3.69Å; Y608-F613 HydrophobicContact CE1-CE1 3.69Å; Y608-F613 HydrophobicContact CE1-CE2 4.31Å; Y608-F613 HydrophobicContact CE1-CG 4.4Å; Y608-F613 AromaticContact CE1-CZ 3.87Å; Y608-F613 HydrophobicContact CE1-CZ 3.87Å; Y608-F613 HydrophobicContact CG-CD2 4.46Å; Y608-F613 HydrophobicContact CG-CG 4.36Å; Y608-F613 WeakPolarHBondContact O-CB 3.43Å; Y608-F613 PolarHBondContact O-N 2.96Å; Y608-V702 HydrophobicContact CD2-CG2 3.6Å; Y608-V702 HydrophobicContact CE1-CG1 4.46Å; Y608-V702 HydrophobicContact CE2-CB 4.27Å; Y608-V702 HydrophobicContact CE2-CG2 3.36Å; Y608-V702 HydrophobicContact CG-CG2 4.29Å; Y608-V705 HydrophobicContact CE1-CB 4.46Å; Y608-V705 HydrophobicContact CE1-CG1 4.15Å; Y608-V705 VanDerWaalsContact OH-CB 3.31Å; Y608-V705 WeakPolarHBondContact OH-CB 3.27Å; Y608-V705 WeakPolarHBondContact OH-CG2 3.38Å |
| 609 | S | 96.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 23.2 Ų | 23.2 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | A605 S606 A607 L611 G612 | A605-S609 WeakPolarHBondContact O-CB 3.46Å; A605-S609 PolarHBondContact O-N 2.89Å; S606-S609 PolarHBondContact O-N 2.95Å; A607-S609 VanDerWaalsContact C-N 3.28Å; A607-S609 PolarHBondContact O-N 2.89Å; S609-L611 PolarHBondContact O-N 3.27Å; S609-G612 PolarHBondContact O-N 2.92Å |
| 610 | D | 97 | Very high | 96.1 | Very high | 27 Ų | 27 | 22.3 Ų | 22.3 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -27.6 | 177.9 | -77.8 | 9.8 | 0 | 0 | 0 | 112.4 | G551 V552 I553 A554 F567 S606 A607 | G551-D610 WeakPolarHBondContact CA-OD1 3.46Å; G551-D610 WeakPolarHBondContact CA-OD2 3.39Å; G551-D610 PolarHBondContact N-OD1 2.85Å; G551-D610 PolarHBondContact N-OD2 3.4Å; V552-D610 PolarHBondContact N-OD2 3.03Å; I553-D610 WeakPolarHBondContact CB-OD2 3.44Å; I553-D610 PolarHBondContact N-OD2 3.5Å; I553-D610 VanDerWaalsContact N-OD2 3.11Å; A554-D610 HydrophobicContact CB-CB 4.22Å; A554-D610 PolarHBondContact N-OD2 3.22Å; F567-D610 HydrophobicContact CE2-CB 4.35Å; F567-D610 HydrophobicContact CZ-CB 3.94Å; F567-D610 WeakPolarHBondContact CZ-O 3.46Å; S606-D610 WeakPolarHBondContact O-CB 3.26Å; S606-D610 PolarHBondContact O-N 3.25Å; A607-D610 PolarHBondContact O-N 3.48Å |
| 611 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.6 | -179.7 | -69.3 | 164.2 | 0 | 0 | 0 | 114.2 | F567 I570 V571 T574 A607 Y608 S609 L699 V702 | F567-L611 HydrophobicContact CD1-CD2 4.22Å; F567-L611 HydrophobicContact CD2-CD2 3.62Å; F567-L611 HydrophobicContact CD2-CG 4.42Å; F567-L611 HydrophobicContact CE1-CD2 4.02Å; F567-L611 HydrophobicContact CE2-CD2 3.38Å; F567-L611 HydrophobicContact CE2-CG 3.78Å; F567-L611 HydrophobicContact CG-CD2 4.02Å; F567-L611 HydrophobicContact CZ-CD2 3.59Å; F567-L611 HydrophobicContact CZ-CG 4Å; I570-L611 HydrophobicContact CB-CD2 3.94Å; I570-L611 HydrophobicContact CG2-CB 4.35Å; I570-L611 HydrophobicContact CG2-CD1 4.31Å; I570-L611 HydrophobicContact CG2-CD2 3.89Å; I570-L611 HydrophobicContact CG2-CG 4.42Å; V571-L611 HydrophobicContact CG2-CD2 4.12Å; T574-L611 WeakPolarHBondContact CB-O 3.46Å; T574-L611 VanDerWaalsContact CG2-O 3.27Å; T574-L611 WeakPolarHBondContact CG2-O 3.45Å; T574-L611 PolarHBondContact OG1-O 2.72Å; A607-L611 WeakPolarHBondContact O-CB 3.34Å; A607-L611 WeakPolarHBondContact O-CD1 3.47Å; A607-L611 WeakPolarHBondContact O-CG 3.32Å; A607-L611 PolarHBondContact O-N 2.89Å; Y608-L611 PolarHBondContact O-N 2.92Å; S609-L611 PolarHBondContact O-N 3.27Å; L611-L699 HydrophobicContact CD1-CD2 3.6Å; L611-L699 HydrophobicContact CD2-CD2 4.18Å; L611-L699 HydrophobicContact CG-CD2 4.42Å; L611-V702 HydrophobicContact CB-CG1 4.45Å; L611-V702 HydrophobicContact CD1-CB 3.95Å; L611-V702 HydrophobicContact CD1-CG1 3.7Å; L611-V702 HydrophobicContact CD1-CG2 3.67Å |
| 612 | G | 96.6 | Very high | 96 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 13.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R584 Y608 S609 | R584-G612 WeakPolarHBondContact CD-O 3.24Å; Y608-G612 PolarHBondContact O-N 3.13Å; S609-G612 PolarHBondContact O-N 2.92Å |
| 613 | F | 97.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | trans | -79.9 | 152.6 | 169.2 | -74.7 | -114.5 | 0 | 0 | 0 | 111.6 | T574 P585 I587 Y608 V615 V702 L706 I709 | T574-F613 HydrophobicContact CG2-CD2 3.88Å; T574-F613 HydrophobicContact CG2-CE2 3.53Å; T574-F613 HydrophobicContact CG2-CZ 4.41Å; P585-F613 HydrophobicContact CB-CD1 3.58Å; P585-F613 HydrophobicContact CB-CE1 3.49Å; P585-F613 VanDerWaalsContact CB-CE1 3.49Å; P585-F613 HydrophobicContact CB-CG 4.25Å; P585-F613 HydrophobicContact CB-CZ 4.07Å; P585-F613 HydrophobicContact CG-CD1 3.6Å; P585-F613 HydrophobicContact CG-CD2 3.96Å; P585-F613 HydrophobicContact CG-CE1 3.71Å; P585-F613 HydrophobicContact CG-CE2 4.02Å; P585-F613 HydrophobicContact CG-CG 3.75Å; P585-F613 HydrophobicContact CG-CZ 3.9Å; P585-F613 CarbonylContact O-C 3.44Å; P585-F613 VanDerWaalsContact O-CA 3.29Å; P585-F613 WeakPolarHBondContact O-CA 3.35Å; P585-F613 WeakPolarHBondContact O-CB 3.46Å; P585-F613 WeakPolarHBondContact O-CD1 3.34Å; I587-F613 HydrophobicContact CG2-CB 4.45Å; I587-F613 HydrophobicContact CG2-CD1 4.16Å; Y608-F613 HydrophobicContact CD1-CB 4.17Å; Y608-F613 AromaticContact CD1-CD1 3.5Å; Y608-F613 HydrophobicContact CD1-CD1 3.5Å; Y608-F613 AromaticContact CD1-CD2 3.81Å; Y608-F613 HydrophobicContact CD1-CD2 3.81Å; Y608-F613 AromaticContact CD1-CE1 3.68Å; Y608-F613 HydrophobicContact CD1-CE1 3.68Å; Y608-F613 HydrophobicContact CD1-CE2 4.01Å; Y608-F613 AromaticContact CD1-CG 3.56Å; Y608-F613 HydrophobicContact CD1-CG 3.56Å; Y608-F613 AromaticContact CD1-CZ 3.94Å; Y608-F613 HydrophobicContact CD1-CZ 3.94Å; Y608-F613 AromaticContact CE1-CD1 3.99Å; Y608-F613 HydrophobicContact CE1-CD1 3.99Å; Y608-F613 AromaticContact CE1-CE1 3.69Å; Y608-F613 HydrophobicContact CE1-CE1 3.69Å; Y608-F613 HydrophobicContact CE1-CE2 4.31Å; Y608-F613 HydrophobicContact CE1-CG 4.4Å; Y608-F613 AromaticContact CE1-CZ 3.87Å; Y608-F613 HydrophobicContact CE1-CZ 3.87Å; Y608-F613 HydrophobicContact CG-CD2 4.46Å; Y608-F613 HydrophobicContact CG-CG 4.36Å; Y608-F613 WeakPolarHBondContact O-CB 3.43Å; Y608-F613 PolarHBondContact O-N 2.96Å; F613-V615 HydrophobicContact CB-CG2 4.03Å; F613-V702 HydrophobicContact CD2-CG1 4.41Å; F613-V702 HydrophobicContact CE2-CG1 3.59Å; F613-V702 HydrophobicContact CZ-CG1 4.11Å; F613-L706 HydrophobicContact CZ-CB 4.17Å; F613-L706 HydrophobicContact CZ-CD1 4.04Å; F613-I709 HydrophobicContact CE1-CD1 4.29Å | ||
| 614 | D | 97.8 | Very high | 96.2 | Very high | 65 Ų | 65 | 21.2 Ų | 21.2 | 35% | 0.348 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.7 | 159 | -69.5 | -20.5 | 0 | 0 | 0 | 108.2 | R584 P585 R586 I587 | R584-D614 VanDerWaalsContact CD-OD1 3.27Å; R584-D614 WeakPolarHBondContact CD-OD1 3.49Å; R584-D614 IonicContact NH1-OD1 2.8Å; P585-D614 PolarHBondContact O-N 2.78Å; R586-D614 VanDerWaalsContact CA-O 3.28Å; R586-D614 WeakPolarHBondContact CA-O 3.35Å; R586-D614 HydrophobicContact CB-CB 4.24Å; R586-D614 HydrophobicContact CG-CB 3.95Å; R586-D614 WeakPolarHBondContact CG-O 3.42Å; I587-D614 PolarHBondContact N-O 2.91Å |
| 615 | V | 97.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 22% | 0.224 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.8 | -172 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | I587 I589 A605 F613 | I587-V615 HydrophobicContact CG2-CB 4.38Å; I587-V615 HydrophobicContact CG2-CG1 4.32Å; I587-V615 HydrophobicContact CG2-CG2 3.92Å; I589-V615 HydrophobicContact CD1-CG1 4.05Å; A605-V615 HydrophobicContact CB-CG1 3.97Å; F613-V615 HydrophobicContact CB-CG2 4.03Å |
| 616 | D | 97 | Very high | 96.2 | Very high | 32 Ų | 32 | 26.2 Ų | 26.2 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.7 | 167.8 | -59.9 | -51.6 | 0 | 0 | 0 | 109.7 | R586 I587 L588 I589 N634 | R586-D616 IonicContact CZ-OD1 3.69Å; R586-D616 IonicContact CZ-OD2 2.68Å; R586-D616 VanDerWaalsContact CZ-OD2 3.23Å; R586-D616 IonicContact NE-OD1 3.57Å; R586-D616 IonicContact NE-OD2 3.24Å; R586-D616 PolarHBondContact NE-OD2 2.61Å; R586-D616 IonicContact NH2-OD1 3.12Å; R586-D616 PolarHBondContact NH2-OD1 3.25Å; R586-D616 IonicContact NH2-OD2 2.78Å; R586-D616 PolarHBondContact NH2-OD2 2.92Å; I587-D616 PolarHBondContact O-N 3.18Å; L588-D616 WeakPolarHBondContact CA-O 3.21Å; L588-D616 HydrophobicContact CD1-CB 3.8Å; I589-D616 PolarHBondContact N-O 2.87Å; D616-N634 VanDerWaalsContact CG-ND2 3.26Å; D616-N634 PolarHBondContact OD2-ND2 3.46Å |
| 617 | L | 96.2 | Very high | 96.3 | Very high | 34 Ų | 34 | 26.2 Ų | 26.2 | 18% | 0.178 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.4 | 172.1 | -67.9 | 167.6 | 0 | 0 | 0 | 109.1 | C548 I589 K602 A605 | C548-L617 HydrophobicContact CB-CD1 4.06Å; I589-L617 HydrophobicContact CB-CD2 3.81Å; I589-L617 HydrophobicContact CD1-CD2 4.48Å; I589-L617 HydrophobicContact CG2-CD2 4.14Å; K602-L617 HydrophobicContact CD-CD1 4.34Å; A605-L617 HydrophobicContact CB-CD1 4.35Å; A605-L617 HydrophobicContact CB-CD2 3.66Å; A605-L617 HydrophobicContact CB-CG 4.35Å |
| 618 | S | 94.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 152 | 174.2 | 76 | 0 | 0 | 0 | 0 | 111.1 | S546 I589 K591 | S546-S618 WeakPolarHBondContact CB-O 3.48Å; S546-S618 PolarHBondContact OG-O 2.92Å; I589-S618 PolarHBondContact O-N 3.16Å; I589-S618 VanDerWaalsContact O-N 3.08Å; K591-S618 PolarHBondContact N-OG 3.42Å |
| 619 | P | 92.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 45% | 0.448 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -54.2 | 144.9 | 158.2 | -22.1 | 34 | 0 | 0 | 0 | 109.9 | S622 | P619-S622 PolarHBondContact O-OG 2.81Š|
| 620 | M | 92.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 148.8 | 170.2 | -64.7 | -61.9 | -70.1 | 0 | 0 | 109.7 | N197 K591 D595 | N197-M620 HydrophobicContact CB-CE 4.12Å; K591-M620 HydrophobicContact CB-SD 4.07Å; K591-M620 HydrophobicContact CG-CE 4.38Å; K591-M620 HydrophobicContact CG-SD 3.84Å; D595-M620 VanDerWaalsContact O-CE 3.28Å; D595-M620 WeakPolarHBondContact O-CE 3.25Å |
| 621 | F | 94.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 28.7 | 174.4 | -30.3 | -64.1 | 0 | 0 | 0 | 116.5 | R112 R120 N197 Y199 L543 G593 | R112-F621 VanDerWaalsContact CZ-CG 3.48Å; R112-F621 VanDerWaalsContact NH1-CD2 3.31Å; R120-F621 PolarHBondContact NH2-O 2.85Å; N197-F621 HydrophobicContact CB-CZ 4.26Å; N197-F621 WeakPolarHBondContact O-CE1 3.43Å; N197-F621 WeakPolarHBondContact O-CZ 3.21Å; Y199-F621 HydrophobicContact CE2-CE2 4.08Å; L543-F621 HydrophobicContact CD2-CD2 4.35Å; G593-F621 WeakPolarHBondContact O-CA 3.24Å |
| 622 | S | 94.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -75.7 | 146.4 | 178 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | M592 G593 P619 E626 I627 | M592-S622 VanDerWaalsContact CA-O 3.31Å; M592-S622 WeakPolarHBondContact CA-O 2.94Å; G593-S622 PolarHBondContact N-O 3.09Å; G593-S622 VanDerWaalsContact N-O 3.11Å; P619-S622 PolarHBondContact O-OG 2.81Å; S622-E626 VanDerWaalsContact CA-OE2 3.29Å; S622-E626 WeakPolarHBondContact CA-OE2 3.44Å; S622-I627 VanDerWaalsContact CB-CD1 3.42Å |
| 623 | T | 96.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 37 Ų | 37 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | trans | -79.7 | 161.1 | 168.4 | 75.2 | 0 | 0 | 0 | 0 | 111 | R120 E625 E626 I627 | R120-T623 VanDerWaalsContact NH1-CG2 3.25Å; T623-E625 PolarHBondContact O-N 3.43Å; T623-E625 PolarHBondContact OG1-N 3.03Å; T623-E625 PolarHBondContact OG1-OE2 2.99Å; T623-E625 VanDerWaalsContact OG1-OE2 3.13Å; T623-E626 PolarHBondContact N-OE2 2.98Å; T623-E626 PolarHBondContact O-N 3.34Å; T623-E626 VanDerWaalsContact O-N 3.1Å; T623-E626 WeakPolarHBondContact OG1-CG 3.3Å; T623-E626 PolarHBondContact OG1-N 3.28Å; T623-I627 WeakPolarHBondContact O-CG1 3.4Å; T623-I627 PolarHBondContact O-N 2.8Å | ||
| 624 | P | 97.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.9 | -38.6 | 172.3 | -28.2 | 37.5 | 0 | 0 | 0 | 113.7 | M592 I627 A628 L651 E654 L655 | M592-P624 HydrophobicContact SD-CB 4.28Å; M592-P624 HydrophobicContact SD-CG 4.17Å; P624-I627 PolarHBondContact O-N 2.89Å; P624-A628 WeakPolarHBondContact O-CB 3.42Å; P624-A628 PolarHBondContact O-N 2.92Å; P624-L651 HydrophobicContact CG-CB 4.3Å; P624-L651 HydrophobicContact CG-CD2 3.97Å; P624-L651 WeakPolarHBondContact CG-O 3.42Å; P624-E654 HydrophobicContact CB-CB 3.79Å; P624-E654 HydrophobicContact CG-CB 3.79Å; P624-L655 HydrophobicContact CB-CB 4.11Å |
| 625 | E | 96.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 38.4 Ų | 38.4 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.1 | -39 | 176 | -63.8 | 77.3 | -170 | 0 | 0 | 113.2 | T623 A628 R629 A658 | T623-E625 PolarHBondContact O-N 3.43Å; T623-E625 PolarHBondContact OG1-N 3.03Å; T623-E625 PolarHBondContact OG1-OE2 2.99Å; T623-E625 VanDerWaalsContact OG1-OE2 3.13Å; E625-A628 PolarHBondContact O-N 3.4Å; E625-R629 WeakPolarHBondContact O-CB 3.43Å; E625-R629 PolarHBondContact O-N 3.09Å; E625-A658 HydrophobicContact CG-CB 4.5Å |
| 626 | E | 96.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66 | -39.9 | 176.7 | -72.2 | 162.9 | 178.7 | 0 | 0 | 110.9 | R120 S622 T623 L630 | R120-E626 IonicContact CZ-OE1 2.87Å; R120-E626 IonicContact CZ-OE2 3.42Å; R120-E626 IonicContact NH1-OE1 3.3Å; R120-E626 PolarHBondContact NH1-OE1 3.25Å; R120-E626 IonicContact NH1-OE2 3.39Å; R120-E626 IonicContact NH2-OE1 3.98Å; R120-E626 PolarHBondContact NH2-OE1 2.87Å; R120-E626 IonicContact NH2-OE2 2.85Å; R120-E626 PolarHBondContact NH2-OE2 2.86Å; S622-E626 VanDerWaalsContact CA-OE2 3.29Å; S622-E626 WeakPolarHBondContact CA-OE2 3.44Å; T623-E626 PolarHBondContact N-OE2 2.98Å; T623-E626 PolarHBondContact O-N 3.34Å; T623-E626 VanDerWaalsContact O-N 3.1Å; T623-E626 WeakPolarHBondContact OG1-CG 3.3Å; T623-E626 PolarHBondContact OG1-N 3.28Å; E626-L630 WeakPolarHBondContact O-CB 3.48Å; E626-L630 PolarHBondContact O-N 3.2Å |
| 627 | I | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 173.5 | -64.2 | -55.5 | 0 | 0 | 0 | 111.1 | L588 A590 M592 S622 T623 P624 R629 L630 A631 V639 L655 | L588-I627 HydrophobicContact CD2-CG2 4Å; A590-I627 HydrophobicContact CB-CD1 3.91Å; A590-I627 HydrophobicContact CB-CG1 4.18Å; A590-I627 HydrophobicContact CB-CG2 3.75Å; M592-I627 HydrophobicContact CG-CG1 3.7Å; M592-I627 HydrophobicContact SD-CG1 4.29Å; S622-I627 VanDerWaalsContact CB-CD1 3.42Å; T623-I627 WeakPolarHBondContact O-CG1 3.4Å; T623-I627 PolarHBondContact O-N 2.8Å; P624-I627 PolarHBondContact O-N 2.89Å; I627-R629 VanDerWaalsContact C-N 3.32Å; I627-R629 PolarHBondContact O-N 2.9Å; I627-L630 PolarHBondContact O-N 3.08Å; I627-A631 WeakPolarHBondContact O-CB 3.31Å; I627-A631 PolarHBondContact O-N 3.33Å; I627-V639 HydrophobicContact CG2-CG1 3.99Å; I627-L655 HydrophobicContact CB-CD1 4Å; I627-L655 HydrophobicContact CG2-CD1 3.59Å; I627-L655 HydrophobicContact CG2-CD2 4.23Å |
| 628 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P624 E625 L630 A631 V632 L655 A658 L659 | P624-A628 WeakPolarHBondContact O-CB 3.42Å; P624-A628 PolarHBondContact O-N 2.92Å; E625-A628 PolarHBondContact O-N 3.4Å; A628-L630 PolarHBondContact O-N 3.29Å; A628-A631 PolarHBondContact O-N 3.17Å; A628-V632 WeakPolarHBondContact O-CG2 3.38Å; A628-V632 PolarHBondContact O-N 3.2Å; A628-V632 VanDerWaalsContact O-N 3.07Å; A628-L655 HydrophobicContact CB-CD1 4.14Å; A628-A658 HydrophobicContact CB-CB 3.52Å; A628-L659 HydrophobicContact CB-CD2 4.04Å; A628-L659 HydrophobicContact CB-CG 4.14Å |
| 629 | R | 97.7 | Very high | 96.8 | Very high | 119 Ų | 119 | 33.7 Ų | 33.7 | 45% | 0.449 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 174.9 | -178.4 | -178.1 | 62.6 | 178.9 | -2.7 | 111.6 | E625 I627 A631 V632 E633 W662 | E625-R629 WeakPolarHBondContact O-CB 3.43Å; E625-R629 PolarHBondContact O-N 3.09Å; I627-R629 VanDerWaalsContact C-N 3.32Å; I627-R629 PolarHBondContact O-N 2.9Å; R629-A631 PolarHBondContact O-N 2.9Å; R629-V632 PolarHBondContact O-N 2.91Å; R629-E633 WeakPolarHBondContact CD-OE1 3.44Å; R629-E633 HydrophobicContact CG-CG 4.26Å; R629-E633 VanDerWaalsContact CG-OE1 3.3Å; R629-E633 WeakPolarHBondContact CG-OE1 3.27Å; R629-E633 WeakPolarHBondContact O-CB 3.44Å; R629-E633 WeakPolarHBondContact O-CG 3.36Å; R629-E633 PolarHBondContact O-N 3.38Å; R629-W662 HydrophobicContact CB-CZ2 4.07Å; R629-W662 HydrophobicContact CG-CH2 4.34Å; R629-W662 HydrophobicContact CG-CZ2 4.05Å |
| 630 | L | 96.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 31 Ų | 31 | 20% | 0.199 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 180 | -177.8 | 62.3 | 0 | 0 | 0 | 112.1 | L588 E626 I627 A628 V632 E633 N634 | L588-L630 HydrophobicContact CD1-CD2 3.77Å; L588-L630 HydrophobicContact CD1-CG 4.35Å; L588-L630 HydrophobicContact CD2-CB 4.26Å; L588-L630 HydrophobicContact CD2-CD2 4.1Å; L588-L630 HydrophobicContact CD2-CG 4.11Å; E626-L630 WeakPolarHBondContact O-CB 3.48Å; E626-L630 PolarHBondContact O-N 3.2Å; I627-L630 PolarHBondContact O-N 3.08Å; A628-L630 PolarHBondContact O-N 3.29Å; L630-V632 VanDerWaalsContact C-N 3.31Å; L630-V632 PolarHBondContact O-N 2.95Å; L630-E633 PolarHBondContact O-N 3.14Å; L630-N634 VanDerWaalsContact O-CB 3.32Å; L630-N634 WeakPolarHBondContact O-CB 3.33Å; L630-N634 PolarHBondContact O-N 3.45Å |
| 631 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L588 I627 A628 R629 D635 V636 V639 L659 I667 | L588-A631 HydrophobicContact CD2-CB 3.96Å; I627-A631 WeakPolarHBondContact O-CB 3.31Å; I627-A631 PolarHBondContact O-N 3.33Å; A628-A631 PolarHBondContact O-N 3.17Å; R629-A631 PolarHBondContact O-N 2.9Å; A631-D635 PolarHBondContact O-N 3.26Å; A631-D635 VanDerWaalsContact O-N 3.1Å; A631-V636 HydrophobicContact CB-CG2 3.76Å; A631-V636 PolarHBondContact O-N 2.77Å; A631-V636 VanDerWaalsContact O-N 3.17Å; A631-V639 HydrophobicContact CB-CG2 3.63Å; A631-L659 HydrophobicContact CB-CD2 4.07Å; A631-I667 HydrophobicContact CB-CD1 4.29Å |
| 632 | V | 97.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 30.6 Ų | 30.6 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -47 | 178 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | A628 R629 L630 N634 D635 L659 W662 R664 | A628-V632 WeakPolarHBondContact O-CG2 3.38Å; A628-V632 PolarHBondContact O-N 3.2Å; A628-V632 VanDerWaalsContact O-N 3.07Å; R629-V632 PolarHBondContact O-N 2.91Å; L630-V632 VanDerWaalsContact C-N 3.31Å; L630-V632 PolarHBondContact O-N 2.95Å; V632-N634 VanDerWaalsContact C-N 3.31Å; V632-N634 PolarHBondContact O-N 2.83Å; V632-D635 PolarHBondContact O-N 2.8Å; V632-D635 VanDerWaalsContact O-N 3.16Å; V632-L659 HydrophobicContact CG2-CD2 4.42Å; V632-W662 HydrophobicContact CG1-CE3 4.41Å; V632-W662 HydrophobicContact CG2-CB 3.73Å; V632-W662 HydrophobicContact CG2-CD2 4.47Å; V632-W662 HydrophobicContact CG2-CG 4.02Å; V632-R664 HydrophobicContact CG1-CG 4.18Å; V632-R664 HydrophobicContact CG2-CB 4.08Å; V632-R664 HydrophobicContact CG2-CG 3.85Å |
| 633 | E | 97.4 | Very high | 97.6 | Very high | 130 Ų | 130 | 30.8 Ų | 30.8 | 61% | 0.607 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -63.2 | -36.2 | -179.5 | -75.4 | 175.2 | 178.7 | 0 | 0 | 112.4 | R629 L630 D635 | R629-E633 WeakPolarHBondContact CD-OE1 3.44Å; R629-E633 HydrophobicContact CG-CG 4.26Å; R629-E633 VanDerWaalsContact CG-OE1 3.3Å; R629-E633 WeakPolarHBondContact CG-OE1 3.27Å; R629-E633 WeakPolarHBondContact O-CB 3.44Å; R629-E633 WeakPolarHBondContact O-CG 3.36Å; R629-E633 PolarHBondContact O-N 3.38Å; L630-E633 PolarHBondContact O-N 3.14Å; E633-D635 VanDerWaalsContact C-N 3.35Å |
| 634 | N | 96.9 | Very high | 97.5 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 22% | 0.219 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -7.1 | 177.3 | -72.6 | -3.2 | 0 | 0 | 0 | 113.7 | R586 D616 L630 V632 V636 | R586-N634 WeakPolarHBondContact CD-O 3.34Å; R586-N634 VanDerWaalsContact CZ-O 3.26Å; R586-N634 PolarHBondContact NE-O 3.34Å; R586-N634 PolarHBondContact NH1-O 3.04Å; D616-N634 VanDerWaalsContact CG-ND2 3.26Å; D616-N634 PolarHBondContact OD2-ND2 3.46Å; L630-N634 VanDerWaalsContact O-CB 3.32Å; L630-N634 WeakPolarHBondContact O-CB 3.33Å; L630-N634 PolarHBondContact O-N 3.45Å; V632-N634 VanDerWaalsContact C-N 3.31Å; V632-N634 PolarHBondContact O-N 2.83Å; N634-V636 HydrophobicContact CB-CG1 3.81Å; N634-V636 PolarHBondContact O-N 2.92Å |
| 635 | D | 97.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 32% | 0.316 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 51.9 | -177.1 | -168.2 | 32 | 0 | 0 | 0 | 113.1 | R583 A631 V632 E633 R664 | R583-D635 IonicContact CZ-OD2 3.53Å; R583-D635 IonicContact NH1-OD2 3.76Å; R583-D635 PolarHBondContact NH1-OD2 3.01Å; R583-D635 IonicContact NH2-OD2 3.52Å; A631-D635 PolarHBondContact O-N 3.26Å; A631-D635 VanDerWaalsContact O-N 3.1Å; V632-D635 PolarHBondContact O-N 2.8Å; V632-D635 VanDerWaalsContact O-N 3.16Å; E633-D635 VanDerWaalsContact C-N 3.35Å; D635-R664 IonicContact OD1-CZ 2.66Å; D635-R664 VanDerWaalsContact OD1-CZ 3.32Å; D635-R664 IonicContact OD1-NH1 2.99Å; D635-R664 PolarHBondContact OD1-NH1 3.26Å; D635-R664 IonicContact OD1-NH2 3.32Å; D635-R664 PolarHBondContact OD1-NH2 2.97Å |
| 636 | V | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -75 | 152.7 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | R586 L588 A631 N634 V639 I667 | R586-V636 HydrophobicContact CG-CB 4.39Å; R586-V636 HydrophobicContact CG-CG1 4.01Å; L588-V636 HydrophobicContact CB-CG1 4.04Å; L588-V636 HydrophobicContact CB-CG2 4.19Å; A631-V636 HydrophobicContact CB-CG2 3.76Å; A631-V636 PolarHBondContact O-N 2.77Å; A631-V636 VanDerWaalsContact O-N 3.17Å; N634-V636 HydrophobicContact CB-CG1 3.81Å; N634-V636 PolarHBondContact O-N 2.92Å; V636-V639 HydrophobicContact CG2-CG2 4.05Å; V636-I667 HydrophobicContact CG2-CD1 4.46Å; V636-I667 HydrophobicContact CG2-CG2 4.05Å | ||
| 637 | H | 98 | Very high | 96.8 | Very high | 5 Ų | 5 | 27 Ų | 27 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -83.8 | -29.3 | 175.3 | -54.8 | 83 | 0 | 0 | 0 | 111.1 | F577 R583 R584 R586 C668 I709 H713 | F577-H637 AromaticContact CE1-NE2 3.9Å; F577-H637 AromaticContact CZ-CD2 3.9Å; F577-H637 AromaticContact CZ-NE2 3.79Å; R583-H637 VanDerWaalsContact CZ-CE1 3.5Å; R583-H637 VanDerWaalsContact CZ-NE2 3.33Å; R583-H637 PolarHBondContact NE-CE1 3.02Å; R583-H637 PolarHBondContact NE-NE2 2.99Å; R583-H637 PolarHBondContact NH2-CE1 3.33Å; R583-H637 PolarHBondContact NH2-NE2 2.91Å; R584-H637 PolarHBondContact O-CE1 2.72Å; R586-H637 PolarHBondContact N-ND1 2.78Å; R586-H637 PolarHBondContact O-N 3.08Å; H637-C668 PolarHBondContact O-N 3.04Å; H637-C668 VanDerWaalsContact O-N 3.12Å; H637-I709 HydrophobicContact CB-CB 4.33Å; H637-I709 HydrophobicContact CB-CD1 4.29Å; H637-I709 HydrophobicContact CB-CG2 4.14Å; H637-H713 AromaticContact CD2-CD2 3.75Å; H637-H713 AromaticContact CD2-NE2 3.37Å; H637-H713 PolarHBondContact CD2-NE2 3.47Å |
| 638 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 142.2 | -175.3 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | R586 I587 L588 C668 V670 V705 I709 | R586-V638 PolarHBondContact O-N 3.22Å; I587-V638 WeakPolarHBondContact CA-O 3.09Å; I587-V638 HydrophobicContact CB-CG1 3.78Å; I587-V638 HydrophobicContact CD1-CG1 4.08Å; I587-V638 HydrophobicContact CG1-CG1 3.84Å; L588-V638 PolarHBondContact N-O 3.5Å; V638-C668 CarbonylContact C-O 3.31Å; V638-C668 VanDerWaalsContact CA-O 3.24Å; V638-C668 WeakPolarHBondContact CA-O 3.18Å; V638-C668 HydrophobicContact CB-CB 4.13Å; V638-C668 HydrophobicContact CG2-CB 4.09Å; V638-C668 WeakPolarHBondContact CG2-O 3.44Å; V638-V670 HydrophobicContact CG2-CG1 4.26Å; V638-V670 HydrophobicContact CG2-CG2 3.98Å; V638-V705 HydrophobicContact CG1-CG1 3.88Å; V638-V705 HydrophobicContact CG2-CG1 4.25Å; V638-I709 HydrophobicContact CB-CG2 3.87Å; V638-I709 HydrophobicContact CG1-CG2 4.08Å |
| 639 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.4 | 167.2 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | L588 A590 I627 A631 V636 L655 I667 C668 V670 | L588-V639 HydrophobicContact CB-CG2 4.39Å; L588-V639 HydrophobicContact CD2-CG2 4.45Å; L588-V639 CarbonylContact O-C 3.54Å; L588-V639 WeakPolarHBondContact O-CA 3.42Å; A590-V639 HydrophobicContact CB-CG1 3.88Å; I627-V639 HydrophobicContact CG2-CG1 3.99Å; A631-V639 HydrophobicContact CB-CG2 3.63Å; V636-V639 HydrophobicContact CG2-CG2 4.05Å; V639-L655 HydrophobicContact CG1-CD2 3.9Å; V639-I667 HydrophobicContact CG2-CG2 3.81Å; V639-C668 PolarHBondContact N-O 3.01Å; V639-V670 PolarHBondContact O-N 2.91Å |
| 640 | G | 98.3 | Very high | 96.2 | Very high | 12 Ų | 12 | 26 Ų | 26 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 99.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | L588 A590 S642 | L588-G640 PolarHBondContact O-N 2.91Å; A590-G640 PolarHBondContact N-O 2.74Å; G640-S642 PolarHBondContact O-N 3.37Å |
| 641 | A | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 104.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M592 I652 V670 A671 G672 | M592-A641 HydrophobicContact CE-CB 3.78Å; A641-I652 HydrophobicContact CB-CD1 4.12Å; A641-I652 HydrophobicContact CB-CG1 4.1Å; A641-V670 PolarHBondContact N-O 2.71Å; A641-A671 WeakPolarHBondContact O-CA 3.48Å; A641-G672 PolarHBondContact O-N 2.92Å |
| 642 | S | 97.7 | Very high | 96.1 | Very high | 16 Ų | 16 | 25 Ų | 25 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.4 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | A590 K591 G640 G672 | A590-S642 PolarHBondContact O-N 3.45Å; K591-S642 WeakPolarHBondContact CD-O 3.43Å; K591-S642 WeakPolarHBondContact CE-O 3.48Å; K591-S642 PolarHBondContact NZ-O 3.25Å; G640-S642 PolarHBondContact O-N 3.37Å; S642-G672 CarbonylContact C-O 3.5Å; S642-G672 WeakPolarHBondContact CA-O 3.46Å |
| 643 | S | 96.6 | Very high | 96 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | trans | -120.2 | 119.3 | -175.3 | 177 | 0 | 0 | 0 | 0 | 111.6 | G672 G673 V674 | S643-G672 PolarHBondContact N-O 2.96Å; S643-G673 CarbonylContact O-C 3.44Å; S643-G673 WeakPolarHBondContact O-CA 3.4Å; S643-V674 PolarHBondContact O-N 3.5Å | ||
| 644 | L | 94.6 | Very high | 96 | Very high | 52 Ų | 52 | 22 Ų | 22 | 27% | 0.272 | 13% | 0.126 | S | C | . | . | trans | -126.8 | -1.5 | 179.9 | -66.8 | 89.4 | 0 | 0 | 0 | 112.9 | D595 H597 V674 | D595-L644 PolarHBondContact OD2-N 3.14Å; H597-L644 HydrophobicContact CB-CB 3.94Å; H597-L644 HydrophobicContact CB-CD1 4.16Å; H597-L644 HydrophobicContact CB-CD2 3.94Å; H597-L644 HydrophobicContact CB-CG 4.23Å; L644-V674 HydrophobicContact CD2-CG2 4.45Å; L644-V674 HydrophobicContact CG-CG2 4.45Å | ||
| 645 | A | 92.3 | Very high | 96 | Very high | 8 Ų | 8 | 20 Ų | 20 | 7% | 0.066 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -109.5 | 23.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L108 D595 G647 | L108-A645 HydrophobicContact CD1-CB 3.52Å; D595-A645 HydrophobicContact CB-CB 3.76Å; A645-G647 PolarHBondContact O-N 3.05Å; A645-G647 VanDerWaalsContact O-N 3.09Å |
| 646 | A | 91.3 | Very high | 96.1 | Very high | 40 Ų | 40 | 18.6 Ų | 18.6 | 33% | 0.331 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 60.2 | 15 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | K127 H648 | K127-A646 HydrophobicContact CD-CB 4.28Å; K127-A646 WeakPolarHBondContact CE-O 3.33Å; A646-H648 VanDerWaalsContact C-N 3.32Å |
| 647 | G | 92 | Very high | 96.1 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | trans | -82.6 | -1.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A645 K649 T650 L651 | A645-G647 PolarHBondContact O-N 3.05Å; A645-G647 VanDerWaalsContact O-N 3.09Å; G647-K649 VanDerWaalsContact C-N 3.35Å; G647-K649 PolarHBondContact O-N 2.87Å; G647-T650 PolarHBondContact O-N 3.44Å; G647-T650 VanDerWaalsContact O-N 3.08Å; G647-L651 WeakPolarHBondContact O-CG 3.3Å; G647-L651 PolarHBondContact O-N 3.24Å | ||
| 648 | H | 94.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.4 | -35.8 | -170.2 | 50.3 | -77.8 | 0 | 0 | 0 | 114.2 | A646 T650 I652 P653 I675 D679 | A646-H648 VanDerWaalsContact C-N 3.32Å; H648-T650 PolarHBondContact O-N 3.24Å; H648-I652 HydrophobicContact CB-CD1 3.77Å; H648-I652 HydrophobicContact CB-CG1 4.36Å; H648-I652 WeakPolarHBondContact O-CB 3.18Å; H648-I652 PolarHBondContact O-N 3.03Å; H648-P653 WeakPolarHBondContact O-CD 3.39Å; H648-I675 HydrophobicContact CB-CG1 4.42Å; H648-D679 IonicContact CD2-OD2 3.23Å; H648-D679 IonicContact CE1-OD2 2.95Å; H648-D679 IonicContact NE2-OD2 2.94Å; H648-D679 PolarHBondContact NE2-OD2 3.02Å |
| 649 | K | 93.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 23.4 Ų | 23.4 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -67.5 | -16.1 | 178.4 | -67.4 | 176.5 | 88 | 152.8 | 0 | 113.7 | E471 G647 D679 F682 | E471-K649 IonicContact OE1-NZ 3.73Å; E471-K649 PolarHBondContact OE1-NZ 2.97Å; G647-K649 VanDerWaalsContact C-N 3.35Å; G647-K649 PolarHBondContact O-N 2.87Å; K649-D679 WeakPolarHBondContact CD-OD1 3.49Å; K649-D679 WeakPolarHBondContact CE-OD1 3.41Å; K649-D679 IonicContact NZ-OD1 3.68Å; K649-D679 PolarHBondContact NZ-OD1 2.6Å; K649-F682 HydrophobicContact CB-CE1 3.91Å; K649-F682 HydrophobicContact CB-CZ 4.31Å; K649-F682 HydrophobicContact CG-CD1 4.16Å; K649-F682 HydrophobicContact CG-CE1 4.06Å |
| 650 | T | 93.2 | Very high | 96 | Very high | 33 Ų | 33 | 28.2 Ų | 28.2 | 20% | 0.202 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -106.5 | -56.1 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | G647 H648 P653 E654 | G647-T650 PolarHBondContact O-N 3.44Å; G647-T650 VanDerWaalsContact O-N 3.08Å; H648-T650 PolarHBondContact O-N 3.24Å; T650-P653 WeakPolarHBondContact O-CD 3.5Å; T650-E654 WeakPolarHBondContact O-CG 3.29Å; T650-E654 PolarHBondContact O-N 3.15Å |
| 651 | L | 95.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.3 | -36.7 | -167.2 | -60.5 | 172 | 0 | 0 | 0 | 113.6 | M592 P624 G647 E654 L655 | M592-L651 HydrophobicContact CB-CB 4.26Å; M592-L651 HydrophobicContact CB-CD1 4.1Å; M592-L651 HydrophobicContact CE-CB 4.36Å; P624-L651 HydrophobicContact CG-CB 4.3Å; P624-L651 HydrophobicContact CG-CD2 3.97Å; P624-L651 WeakPolarHBondContact CG-O 3.42Å; G647-L651 WeakPolarHBondContact O-CG 3.3Å; G647-L651 PolarHBondContact O-N 3.24Å; L651-E654 PolarHBondContact O-N 2.76Å; L651-L655 PolarHBondContact O-N 3.15Å |
| 652 | I | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.7 | -45.6 | -179.3 | -59.2 | 177.3 | 0 | 0 | 0 | 111.1 | M592 A641 H648 E654 L655 V656 V669 A671 L683 V688 | M592-I652 HydrophobicContact CE-CG1 3.9Å; A641-I652 HydrophobicContact CB-CD1 4.12Å; A641-I652 HydrophobicContact CB-CG1 4.1Å; H648-I652 HydrophobicContact CB-CD1 3.77Å; H648-I652 HydrophobicContact CB-CG1 4.36Å; H648-I652 WeakPolarHBondContact O-CB 3.18Å; H648-I652 PolarHBondContact O-N 3.03Å; I652-E654 VanDerWaalsContact C-N 3.31Å; I652-E654 PolarHBondContact O-N 2.7Å; I652-L655 WeakPolarHBondContact O-CB 3.39Å; I652-L655 PolarHBondContact O-N 2.97Å; I652-L655 VanDerWaalsContact O-N 3.15Å; I652-V656 PolarHBondContact O-N 2.83Å; I652-V656 VanDerWaalsContact O-N 3.07Å; I652-V669 HydrophobicContact CG2-CG1 4.22Å; I652-A671 HydrophobicContact CD1-CB 3.78Å; I652-L683 HydrophobicContact CB-CD2 4.28Å; I652-L683 HydrophobicContact CG2-CD2 4.49Å; I652-V688 HydrophobicContact CG2-CG2 3.44Å; I652-V688 VanDerWaalsContact CG2-CG2 3.44Å |
| 653 | P | 96.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56 | -42.4 | 170.3 | -31.4 | 39.1 | 0 | 0 | 0 | 113.9 | H648 T650 L655 V656 E657 F682 R686 | H648-P653 WeakPolarHBondContact O-CD 3.39Å; T650-P653 WeakPolarHBondContact O-CD 3.5Å; P653-L655 VanDerWaalsContact C-N 3.29Å; P653-L655 PolarHBondContact O-N 3.41Å; P653-V656 PolarHBondContact O-N 2.89Å; P653-E657 WeakPolarHBondContact O-CG 3.35Å; P653-E657 PolarHBondContact O-N 2.96Å; P653-F682 HydrophobicContact CG-CE1 4.03Å; P653-R686 HydrophobicContact CG-CB 4.5Å |
| 654 | E | 96.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.7 | -35.2 | 176.6 | -75.6 | 175.2 | 177.8 | 0 | 0 | 112.3 | P624 T650 L651 I652 A658 | P624-E654 HydrophobicContact CB-CB 3.79Å; P624-E654 HydrophobicContact CG-CB 3.79Å; T650-E654 WeakPolarHBondContact O-CG 3.29Å; T650-E654 PolarHBondContact O-N 3.15Å; L651-E654 PolarHBondContact O-N 2.76Å; I652-E654 VanDerWaalsContact C-N 3.31Å; I652-E654 PolarHBondContact O-N 2.7Å; E654-A658 VanDerWaalsContact O-CB 3.25Å; E654-A658 WeakPolarHBondContact O-CB 3.34Å; E654-A658 PolarHBondContact O-N 3.23Å |
| 655 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -47 | 175 | 168.5 | 63.3 | 0 | 0 | 0 | 111.4 | M592 P624 I627 A628 V639 L651 I652 P653 E657 A658 L659 V669 | M592-L655 HydrophobicContact CE-CB 4.39Å; M592-L655 HydrophobicContact CE-CD2 3.92Å; M592-L655 HydrophobicContact SD-CB 3.9Å; M592-L655 HydrophobicContact SD-CD2 3.92Å; M592-L655 HydrophobicContact SD-CG 4.38Å; P624-L655 HydrophobicContact CB-CB 4.11Å; I627-L655 HydrophobicContact CB-CD1 4Å; I627-L655 HydrophobicContact CG2-CD1 3.59Å; I627-L655 HydrophobicContact CG2-CD2 4.23Å; A628-L655 HydrophobicContact CB-CD1 4.14Å; V639-L655 HydrophobicContact CG1-CD2 3.9Å; L651-L655 PolarHBondContact O-N 3.15Å; I652-L655 WeakPolarHBondContact O-CB 3.39Å; I652-L655 PolarHBondContact O-N 2.97Å; I652-L655 VanDerWaalsContact O-N 3.15Å; P653-L655 VanDerWaalsContact C-N 3.29Å; P653-L655 PolarHBondContact O-N 3.41Å; L655-E657 VanDerWaalsContact C-N 3.33Å; L655-E657 PolarHBondContact O-N 3.25Å; L655-A658 PolarHBondContact O-N 3.39Å; L655-A658 VanDerWaalsContact O-N 3.15Å; L655-L659 HydrophobicContact CD1-CD1 4.21Å; L655-L659 HydrophobicContact CD1-CG 4.2Å; L655-L659 HydrophobicContact CG-CD1 4.31Å; L655-L659 WeakPolarHBondContact O-CG 3.37Å; L655-L659 PolarHBondContact O-N 3.25Å; L655-V669 HydrophobicContact CD2-CG1 4.24Å |
| 656 | V | 98.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | I652 P653 A658 L659 K660 V669 R686 | I652-V656 PolarHBondContact O-N 2.83Å; I652-V656 VanDerWaalsContact O-N 3.07Å; P653-V656 PolarHBondContact O-N 2.89Å; V656-A658 VanDerWaalsContact C-N 3.31Å; V656-A658 PolarHBondContact O-N 3.37Å; V656-L659 PolarHBondContact O-N 3.13Å; V656-K660 WeakPolarHBondContact O-CB 3.18Å; V656-K660 PolarHBondContact O-N 3.31Å; V656-V669 HydrophobicContact CG2-CB 4.25Å; V656-V669 HydrophobicContact CG2-CG1 4.28Å; V656-V669 HydrophobicContact CG2-CG2 4.09Å; V656-R686 WeakPolarHBondContact CG1-O 3.38Å |
| 657 | E | 97.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -33.9 | 175.7 | -71.2 | -60.3 | 139.1 | 0 | 0 | 112.6 | P653 L655 K660 K661 | P653-E657 WeakPolarHBondContact O-CG 3.35Å; P653-E657 PolarHBondContact O-N 2.96Å; L655-E657 VanDerWaalsContact C-N 3.33Å; L655-E657 PolarHBondContact O-N 3.25Å; E657-K660 WeakPolarHBondContact O-CB 3.35Å; E657-K661 VanDerWaalsContact O-CG 3.31Å; E657-K661 WeakPolarHBondContact O-CG 3.36Å; E657-K661 PolarHBondContact O-N 2.81Å |
| 658 | A | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E625 A628 E654 L655 V656 K660 K661 W662 | E625-A658 HydrophobicContact CG-CB 4.5Å; A628-A658 HydrophobicContact CB-CB 3.52Å; E654-A658 VanDerWaalsContact O-CB 3.25Å; E654-A658 WeakPolarHBondContact O-CB 3.34Å; E654-A658 PolarHBondContact O-N 3.23Å; L655-A658 PolarHBondContact O-N 3.39Å; L655-A658 VanDerWaalsContact O-N 3.15Å; V656-A658 VanDerWaalsContact C-N 3.31Å; V656-A658 PolarHBondContact O-N 3.37Å; A658-K660 VanDerWaalsContact C-N 3.26Å; A658-K660 PolarHBondContact O-N 3.41Å; A658-K661 WeakPolarHBondContact O-CB 3.47Å; A658-K661 PolarHBondContact O-N 3.43Å; A658-K661 VanDerWaalsContact O-N 3.1Å; A658-W662 PolarHBondContact O-N 2.85Å; A658-W662 VanDerWaalsContact O-N 3.13Å |
| 659 | L | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -41 | 174.7 | -73.5 | 169.6 | 0 | 0 | 0 | 111.7 | A628 A631 V632 L655 V656 W662 G663 R664 I667 V669 | A628-L659 HydrophobicContact CB-CD2 4.04Å; A628-L659 HydrophobicContact CB-CG 4.14Å; A631-L659 HydrophobicContact CB-CD2 4.07Å; V632-L659 HydrophobicContact CG2-CD2 4.42Å; L655-L659 HydrophobicContact CD1-CD1 4.21Å; L655-L659 HydrophobicContact CD1-CG 4.2Å; L655-L659 HydrophobicContact CG-CD1 4.31Å; L655-L659 WeakPolarHBondContact O-CG 3.37Å; L655-L659 PolarHBondContact O-N 3.25Å; V656-L659 PolarHBondContact O-N 3.13Å; L659-W662 CarbonylContact O-C 3.6Å; L659-W662 PolarHBondContact O-N 3.39Å; L659-W662 VanDerWaalsContact O-N 3.13Å; L659-G663 PolarHBondContact O-N 3.05Å; L659-R664 PolarHBondContact O-N 2.95Å; L659-I667 HydrophobicContact CD1-CB 4.47Å; L659-I667 HydrophobicContact CD1-CG2 4.37Å; L659-I667 HydrophobicContact CD2-CB 4.43Å; L659-I667 HydrophobicContact CD2-CD1 4.1Å; L659-V669 HydrophobicContact CD1-CG2 3.53Å |
| 660 | K | 97.2 | Very high | 96.8 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 173 | 175.3 | 158.8 | -169.1 | 173.3 | 0 | 113.2 | V656 E657 A658 W662 G663 E665 | V656-K660 WeakPolarHBondContact O-CB 3.18Å; V656-K660 PolarHBondContact O-N 3.31Å; E657-K660 WeakPolarHBondContact O-CB 3.35Å; A658-K660 VanDerWaalsContact C-N 3.26Å; A658-K660 PolarHBondContact O-N 3.41Å; K660-W662 PolarHBondContact O-N 3.46Å; K660-G663 PolarHBondContact O-N 3.01Å; K660-E665 HydrophobicContact CB-CG 3.85Å; K660-E665 HydrophobicContact CD-CG 4.35Å; K660-E665 WeakPolarHBondContact CE-OE1 3.39Å; K660-E665 HydrophobicContact CG-CG 3.93Å; K660-E665 WeakPolarHBondContact CG-OE1 3.18Å |
| 661 | K | 97.3 | Very high | 97 | Very high | 162 Ų | 162 | 46.8 Ų | 46.8 | 70% | 0.704 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.1 | -29.4 | 175.1 | -71.1 | 167.5 | -170 | 168.5 | 0 | 112.8 | E657 A658 G663 | E657-K661 VanDerWaalsContact O-CG 3.31Å; E657-K661 WeakPolarHBondContact O-CG 3.36Å; E657-K661 PolarHBondContact O-N 2.81Å; A658-K661 WeakPolarHBondContact O-CB 3.47Å; A658-K661 PolarHBondContact O-N 3.43Å; A658-K661 VanDerWaalsContact O-N 3.1Å; K661-G663 VanDerWaalsContact C-N 3.28Å |
| 662 | W | 96.2 | Very high | 97.1 | Very high | 134 Ų | 134 | 46.7 Ų | 46.7 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.1 | 173.2 | -75.9 | 101 | 0 | 0 | 0 | 113.9 | R629 V632 A658 L659 K660 R664 | R629-W662 HydrophobicContact CB-CZ2 4.07Å; R629-W662 HydrophobicContact CG-CH2 4.34Å; R629-W662 HydrophobicContact CG-CZ2 4.05Å; V632-W662 HydrophobicContact CG1-CE3 4.41Å; V632-W662 HydrophobicContact CG2-CB 3.73Å; V632-W662 HydrophobicContact CG2-CD2 4.47Å; V632-W662 HydrophobicContact CG2-CG 4.02Å; A658-W662 PolarHBondContact O-N 2.85Å; A658-W662 VanDerWaalsContact O-N 3.13Å; L659-W662 CarbonylContact O-C 3.6Å; L659-W662 PolarHBondContact O-N 3.39Å; L659-W662 VanDerWaalsContact O-N 3.13Å; K660-W662 PolarHBondContact O-N 3.46Å; W662-R664 VanDerWaalsContact C-N 3.29Å; W662-R664 PolarHBondContact O-N 2.93Å |
| 663 | G | 96.7 | Very high | 97 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 23.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L659 K660 K661 | L659-G663 PolarHBondContact O-N 3.05Å; K660-G663 PolarHBondContact O-N 3.01Å; K661-G663 VanDerWaalsContact C-N 3.28Å |
| 664 | R | 96.5 | Very high | 96.8 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | trans | -116.6 | 48.4 | -179.6 | -70.1 | -59.4 | -56.4 | -86.9 | 5.6 | 111.9 | V632 D635 L659 W662 D666 I667 | V632-R664 HydrophobicContact CG1-CG 4.18Å; V632-R664 HydrophobicContact CG2-CB 4.08Å; V632-R664 HydrophobicContact CG2-CG 3.85Å; D635-R664 IonicContact OD1-CZ 2.66Å; D635-R664 VanDerWaalsContact OD1-CZ 3.32Å; D635-R664 IonicContact OD1-NH1 2.99Å; D635-R664 PolarHBondContact OD1-NH1 3.26Å; D635-R664 IonicContact OD1-NH2 3.32Å; D635-R664 PolarHBondContact OD1-NH2 2.97Å; L659-R664 PolarHBondContact O-N 2.95Å; W662-R664 VanDerWaalsContact C-N 3.29Å; W662-R664 PolarHBondContact O-N 2.93Å; R664-D666 VanDerWaalsContact C-OD1 3.26Å; R664-D666 WeakPolarHBondContact CA-OD1 3.47Å; R664-D666 WeakPolarHBondContact CD-OD1 3.31Å; R664-D666 IonicContact CZ-OD1 3.58Å; R664-D666 IonicContact CZ-OD2 3.63Å; R664-D666 IonicContact NE-OD1 3.93Å; R664-D666 PolarHBondContact NE-OD1 2.85Å; R664-D666 IonicContact NE-OD2 2.71Å; R664-D666 PolarHBondContact NE-OD2 3.2Å; R664-D666 VanDerWaalsContact NE-OD2 3.12Å; R664-D666 IonicContact NH2-OD1 3.81Å; R664-D666 IonicContact NH2-OD2 3.38Å; R664-D666 PolarHBondContact NH2-OD2 3.22Å; R664-D666 PolarHBondContact O-N 3.38Å; R664-I667 HydrophobicContact CB-CD1 3.78Å; R664-I667 HydrophobicContact CB-CG1 4.05Å; R664-I667 HydrophobicContact CG-CD1 4.3Å; R664-I667 PolarHBondContact O-N 3.3Å | ||
| 665 | E | 94.4 | Very high | 96.7 | Very high | 132 Ų | 132 | 44.7 Ų | 44.7 | 62% | 0.617 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -13.4 | 173.8 | -61.6 | -178 | -139.4 | 0 | 0 | 112.3 | K660 I667 | K660-E665 HydrophobicContact CB-CG 3.85Å; K660-E665 HydrophobicContact CD-CG 4.35Å; K660-E665 WeakPolarHBondContact CE-OE1 3.39Å; K660-E665 HydrophobicContact CG-CG 3.93Å; K660-E665 WeakPolarHBondContact CG-OE1 3.18Å; E665-I667 VanDerWaalsContact C-N 3.32Å |
| 666 | D | 94.9 | Very high | 96.2 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.4 | 173.3 | 63 | -62.6 | 0 | 0 | 0 | 113.5 | R664 C668 | R664-D666 VanDerWaalsContact C-OD1 3.26Å; R664-D666 WeakPolarHBondContact CA-OD1 3.47Å; R664-D666 WeakPolarHBondContact CD-OD1 3.31Å; R664-D666 IonicContact CZ-OD1 3.58Å; R664-D666 IonicContact CZ-OD2 3.63Å; R664-D666 IonicContact NE-OD1 3.93Å; R664-D666 PolarHBondContact NE-OD1 2.85Å; R664-D666 IonicContact NE-OD2 2.71Å; R664-D666 PolarHBondContact NE-OD2 3.2Å; R664-D666 VanDerWaalsContact NE-OD2 3.12Å; R664-D666 IonicContact NH2-OD1 3.81Å; R664-D666 IonicContact NH2-OD2 3.38Å; R664-D666 PolarHBondContact NH2-OD2 3.22Å; R664-D666 PolarHBondContact O-N 3.38Å; D666-C668 PolarHBondContact O-N 3.07Å |
| 667 | I | 97.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -71.9 | 114.3 | 179.1 | -62.6 | -179.9 | 0 | 0 | 0 | 108.9 | A631 V636 V639 L659 R664 E665 | A631-I667 HydrophobicContact CB-CD1 4.29Å; V636-I667 HydrophobicContact CG2-CD1 4.46Å; V636-I667 HydrophobicContact CG2-CG2 4.05Å; V639-I667 HydrophobicContact CG2-CG2 3.81Å; L659-I667 HydrophobicContact CD1-CB 4.47Å; L659-I667 HydrophobicContact CD1-CG2 4.37Å; L659-I667 HydrophobicContact CD2-CB 4.43Å; L659-I667 HydrophobicContact CD2-CD1 4.1Å; R664-I667 HydrophobicContact CB-CD1 3.78Å; R664-I667 HydrophobicContact CB-CG1 4.05Å; R664-I667 HydrophobicContact CG-CD1 4.3Å; R664-I667 PolarHBondContact O-N 3.3Å; E665-I667 VanDerWaalsContact C-N 3.32Å |
| 668 | C | 96.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 137.7 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | H637 V638 V639 D666 A689 I709 | H637-C668 PolarHBondContact O-N 3.04Å; H637-C668 VanDerWaalsContact O-N 3.12Å; V638-C668 CarbonylContact C-O 3.31Å; V638-C668 VanDerWaalsContact CA-O 3.24Å; V638-C668 WeakPolarHBondContact CA-O 3.18Å; V638-C668 HydrophobicContact CB-CB 4.13Å; V638-C668 HydrophobicContact CG2-CB 4.09Å; V638-C668 WeakPolarHBondContact CG2-O 3.44Å; V639-C668 PolarHBondContact N-O 3.01Å; D666-C668 PolarHBondContact O-N 3.07Å; C668-A689 WeakPolarHBondContact SG-CB 3.49Å; C668-I709 HydrophobicContact CB-CG2 4.43Å |
| 669 | V | 98.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.7 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | I652 L655 V656 L659 V688 A689 | I652-V669 HydrophobicContact CG2-CG1 4.22Å; L655-V669 HydrophobicContact CD2-CG1 4.24Å; V656-V669 HydrophobicContact CG2-CB 4.25Å; V656-V669 HydrophobicContact CG2-CG1 4.28Å; V656-V669 HydrophobicContact CG2-CG2 4.09Å; L659-V669 HydrophobicContact CD1-CG2 3.53Å; V669-V688 CarbonylContact O-C 3.55Å; V669-V688 WeakPolarHBondContact O-CA 3.41Å; V669-A689 PolarHBondContact O-N 2.72Å |
| 670 | V | 98.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.7 | 171.5 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | V638 V639 A641 A689 A690 Y692 V705 L708 | V638-V670 HydrophobicContact CG2-CG1 4.26Å; V638-V670 HydrophobicContact CG2-CG2 3.98Å; V639-V670 PolarHBondContact O-N 2.91Å; A641-V670 PolarHBondContact N-O 2.71Å; V670-A689 HydrophobicContact CG1-CB 4.39Å; V670-A690 WeakPolarHBondContact CA-O 3.48Å; V670-A690 HydrophobicContact CG1-CB 4.05Å; V670-Y692 HydrophobicContact CB-CE2 3.97Å; V670-Y692 HydrophobicContact CG1-CE2 4.32Å; V670-Y692 HydrophobicContact CG2-CE2 4.16Å; V670-V705 HydrophobicContact CG1-CG2 4.35Å; V670-V705 HydrophobicContact CG2-CG2 4.27Å; V670-L708 HydrophobicContact CG1-CD1 4.22Å |
| 671 | A | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | A641 I652 I675 V688 A690 I691 Y692 | A641-A671 WeakPolarHBondContact O-CA 3.48Å; I652-A671 HydrophobicContact CD1-CB 3.78Å; A671-I675 HydrophobicContact CB-CD1 3.69Å; A671-V688 HydrophobicContact CB-CG1 3.91Å; A671-A690 PolarHBondContact N-O 2.85Å; A671-I691 HydrophobicContact CB-CG1 4.37Å; A671-I691 CarbonylContact O-C 3.46Å; A671-I691 VanDerWaalsContact O-CA 3.3Å; A671-I691 WeakPolarHBondContact O-CA 3.46Å; A671-Y692 PolarHBondContact O-N 3.2Å |
| 672 | G | 97 | Very high | 94.8 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 165.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A641 S642 S643 Y692 | A641-G672 PolarHBondContact O-N 2.92Å; S642-G672 CarbonylContact C-O 3.5Å; S642-G672 WeakPolarHBondContact CA-O 3.46Å; S643-G672 PolarHBondContact N-O 2.96Å; G672-Y692 WeakPolarHBondContact CA-O 3.43Å |
| 673 | G | 94.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 108.9 | -159.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112 | S643 I675 Y692 P694 | S643-G673 CarbonylContact O-C 3.44Å; S643-G673 WeakPolarHBondContact O-CA 3.4Å; G673-I675 PolarHBondContact O-N 2.98Å; G673-Y692 PolarHBondContact N-O 3.11Å; G673-P694 WeakPolarHBondContact O-CD 3.41Å |
| 674 | V | 93.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -78.9 | 89.8 | -175.6 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | S643 L644 P694 | S643-V674 PolarHBondContact O-N 3.5Å; L644-V674 HydrophobicContact CD2-CG2 4.45Å; L644-V674 HydrophobicContact CG-CG2 4.45Å; V674-P694 HydrophobicContact CG2-CG 4.46Å |
| 675 | I | 92.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | -120.1 | 116.1 | 175.3 | -60.1 | 172.8 | 0 | 0 | 0 | 106 | H648 A671 G673 D679 Y680 L683 I691 | H648-I675 HydrophobicContact CB-CG1 4.42Å; A671-I675 HydrophobicContact CB-CD1 3.69Å; G673-I675 PolarHBondContact O-N 2.98Å; I675-D679 HydrophobicContact CG2-CB 4.21Å; I675-Y680 HydrophobicContact CB-CE1 4.03Å; I675-Y680 HydrophobicContact CG2-CD1 3.81Å; I675-Y680 HydrophobicContact CG2-CE1 3.68Å; I675-Y680 WeakPolarHBondContact O-CE1 3.45Å; I675-L683 HydrophobicContact CD1-CD1 4.1Å; I675-L683 HydrophobicContact CG2-CD1 3.8Å; I675-I691 HydrophobicContact CB-CG2 4.49Å; I675-I691 HydrophobicContact CD1-CG2 4.01Å | ||
| 676 | P | 88.7 | Confident | 95 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -61.1 | 139 | 177.3 | -22.1 | 32.4 | 0 | 0 | 0 | 111.1 | Q678 D679 Y680 | P676-Q678 HydrophobicContact CB-CG 4.1Å; P676-Q678 VanDerWaalsContact CB-NE2 3.26Å; P676-Q678 VanDerWaalsContact CB-OE1 3.29Å; P676-Q678 PolarHBondContact O-N 3.1Å; P676-D679 PolarHBondContact O-N 2.92Å; P676-Y680 WeakPolarHBondContact O-CD1 3.41Å | ||
| 677 | P | 88.6 | Confident | 95.1 | Very high | 65 Ų | 65 | 42 Ų | 42 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -51.7 | -33.6 | -179.6 | -31 | 36.8 | 0 | 0 | 0 | 114.5 | E327 D679 Y680 | E327-P677 WeakPolarHBondContact OE1-CG 3.32Å; P677-D679 PolarHBondContact O-N 3.43Å; P677-Y680 WeakPolarHBondContact O-CB 3.35Å; P677-Y680 PolarHBondContact O-N 3.32Å; P677-Y680 VanDerWaalsContact O-N 3.11Å |
| 678 | Q | 89.1 | Confident | 95.1 | Very high | 114 Ų | 114 | 42 Ų | 42 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62.6 | -20.8 | 176.9 | 62.7 | -90.8 | 27.5 | 0 | 0 | 114.5 | P676 | P676-Q678 HydrophobicContact CB-CG 4.1Å; P676-Q678 VanDerWaalsContact CB-NE2 3.26Å; P676-Q678 VanDerWaalsContact CB-OE1 3.29Å; P676-Q678 PolarHBondContact O-N 3.1Å |
| 679 | D | 92.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 8% | 0.08 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -89.8 | -5.3 | 178.2 | -71.5 | -30 | 0 | 0 | 0 | 112.8 | H648 K649 I675 P676 P677 F682 L683 | H648-D679 IonicContact CD2-OD2 3.23Å; H648-D679 IonicContact CE1-OD2 2.95Å; H648-D679 IonicContact NE2-OD2 2.94Å; H648-D679 PolarHBondContact NE2-OD2 3.02Å; K649-D679 WeakPolarHBondContact CD-OD1 3.49Å; K649-D679 WeakPolarHBondContact CE-OD1 3.41Å; K649-D679 IonicContact NZ-OD1 3.68Å; K649-D679 PolarHBondContact NZ-OD1 2.6Å; I675-D679 HydrophobicContact CG2-CB 4.21Å; P676-D679 PolarHBondContact O-N 2.92Å; P677-D679 PolarHBondContact O-N 3.43Å; D679-F682 WeakPolarHBondContact O-CB 3.43Å; D679-F682 PolarHBondContact O-N 3.2Å; D679-L683 PolarHBondContact O-N 3.07Å |
| 680 | Y | 94.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -48.2 | -172.8 | -79.5 | 28.4 | 0 | 0 | 0 | 111.8 | I675 P676 P677 F682 L683 Q684 I691 | I675-Y680 HydrophobicContact CB-CE1 4.03Å; I675-Y680 HydrophobicContact CG2-CD1 3.81Å; I675-Y680 HydrophobicContact CG2-CE1 3.68Å; I675-Y680 WeakPolarHBondContact O-CE1 3.45Å; P676-Y680 WeakPolarHBondContact O-CD1 3.41Å; P677-Y680 WeakPolarHBondContact O-CB 3.35Å; P677-Y680 PolarHBondContact O-N 3.32Å; P677-Y680 VanDerWaalsContact O-N 3.11Å; Y680-F682 VanDerWaalsContact C-N 3.29Å; Y680-F682 PolarHBondContact O-N 2.9Å; Y680-L683 PolarHBondContact O-N 3.49Å; Y680-Q684 WeakPolarHBondContact O-CG 3.5Å; Y680-Q684 PolarHBondContact O-N 3.22Å; Y680-I691 HydrophobicContact CD1-CD1 3.89Å; Y680-I691 HydrophobicContact CD1-CG2 4.08Å; Y680-I691 HydrophobicContact CD2-CB 4.19Å; Y680-I691 HydrophobicContact CD2-CD1 4.01Å; Y680-I691 HydrophobicContact CD2-CG2 4.28Å; Y680-I691 HydrophobicContact CE1-CG2 3.63Å; Y680-I691 HydrophobicContact CE2-CB 4.03Å; Y680-I691 HydrophobicContact CE2-CG2 3.84Å; Y680-I691 HydrophobicContact CG-CD1 3.61Å; Y680-I691 HydrophobicContact CG-CG2 4.4Å |
| 681 | A | 95.8 | Very high | 95 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L683 Q684 E685 | A681-L683 VanDerWaalsContact C-N 3.31Å; A681-L683 PolarHBondContact O-N 3.12Å; A681-Q684 PolarHBondContact O-N 3.44Å; A681-E685 WeakPolarHBondContact O-CB 3.42Å; A681-E685 VanDerWaalsContact O-CG 3.27Å; A681-E685 WeakPolarHBondContact O-CG 3.3Å; A681-E685 PolarHBondContact O-N 3.21Å |
| 682 | F | 96.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 178.1 | 170.6 | -83.8 | 0 | 0 | 0 | 112.7 | K649 P653 D679 Y680 R686 | K649-F682 HydrophobicContact CB-CE1 3.91Å; K649-F682 HydrophobicContact CB-CZ 4.31Å; K649-F682 HydrophobicContact CG-CD1 4.16Å; K649-F682 HydrophobicContact CG-CE1 4.06Å; P653-F682 HydrophobicContact CG-CE1 4.03Å; D679-F682 WeakPolarHBondContact O-CB 3.43Å; D679-F682 PolarHBondContact O-N 3.2Å; Y680-F682 VanDerWaalsContact C-N 3.29Å; Y680-F682 PolarHBondContact O-N 2.9Å; F682-R686 VanDerWaalsContact CZ-CZ 3.44Å; F682-R686 PolarHBondContact O-NH1 3.03Å; F682-R686 VanDerWaalsContact O-NH1 3.1Å |
| 683 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74 | -42.9 | 179.2 | -70.4 | 178.2 | 0 | 0 | 0 | 111.6 | I652 I675 D679 Y680 A681 R686 G687 V688 I691 | I652-L683 HydrophobicContact CB-CD2 4.28Å; I652-L683 HydrophobicContact CG2-CD2 4.49Å; I675-L683 HydrophobicContact CD1-CD1 4.1Å; I675-L683 HydrophobicContact CG2-CD1 3.8Å; D679-L683 PolarHBondContact O-N 3.07Å; Y680-L683 PolarHBondContact O-N 3.49Å; A681-L683 VanDerWaalsContact C-N 3.31Å; A681-L683 PolarHBondContact O-N 3.12Å; L683-R686 CarbonylContact O-C 3.59Å; L683-R686 PolarHBondContact O-N 3.09Å; L683-G687 PolarHBondContact O-N 3.44Å; L683-V688 HydrophobicContact CB-CB 4.2Å; L683-V688 HydrophobicContact CB-CG2 3.98Å; L683-V688 WeakPolarHBondContact O-CB 3.38Å; L683-V688 WeakPolarHBondContact O-CG2 3.27Å; L683-V688 PolarHBondContact O-N 3.3Å; L683-I691 HydrophobicContact CB-CD1 4.05Å; L683-I691 HydrophobicContact CD1-CD1 4.11Å |
| 684 | Q | 97.2 | Very high | 94.6 | Very high | 104 Ų | 104 | 47 Ų | 47 | 49% | 0.486 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.8 | -72.8 | 173.8 | -26.7 | 0 | 0 | 112 | Y680 A681 R686 G687 I691 | Y680-Q684 WeakPolarHBondContact O-CG 3.5Å; Y680-Q684 PolarHBondContact O-N 3.22Å; A681-Q684 PolarHBondContact O-N 3.44Å; Q684-R686 PolarHBondContact O-N 3.36Å; Q684-G687 PolarHBondContact O-N 3.22Å; Q684-G687 VanDerWaalsContact O-N 3.08Å; Q684-I691 HydrophobicContact CG-CD1 4.3Å |
| 685 | E | 97.3 | Very high | 94.5 | Very high | 157 Ų | 157 | 47 Ų | 47 | 73% | 0.734 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.4 | 174.3 | -75.1 | 174.6 | -177.7 | 0 | 0 | 113.5 | A681 | A681-E685 WeakPolarHBondContact O-CB 3.42Å; A681-E685 VanDerWaalsContact O-CG 3.27Å; A681-E685 WeakPolarHBondContact O-CG 3.3Å; A681-E685 PolarHBondContact O-N 3.21Å |
| 686 | R | 96.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 49.1 Ų | 49.1 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 18 | 179.7 | -72.4 | 172.5 | 175.4 | 68.2 | 3.7 | 113.4 | P653 V656 F682 L683 Q684 | P653-R686 HydrophobicContact CG-CB 4.5Å; V656-R686 WeakPolarHBondContact CG1-O 3.38Å; F682-R686 VanDerWaalsContact CZ-CZ 3.44Å; F682-R686 PolarHBondContact O-NH1 3.03Å; F682-R686 VanDerWaalsContact O-NH1 3.1Å; L683-R686 CarbonylContact O-C 3.59Å; L683-R686 PolarHBondContact O-N 3.09Å; Q684-R686 PolarHBondContact O-N 3.36Å |
| 687 | G | 96 | Very high | 94.9 | Very high | 45 Ų | 45 | 50.4 Ų | 50.4 | 46% | 0.464 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 10.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L683 Q684 A689 | L683-G687 PolarHBondContact O-N 3.44Å; Q684-G687 PolarHBondContact O-N 3.22Å; Q684-G687 VanDerWaalsContact O-N 3.08Å; G687-A689 PolarHBondContact O-N 3.18Å |
| 688 | V | 97.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.7 | 170.1 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | I652 V669 A671 L683 A690 I691 | I652-V688 HydrophobicContact CG2-CG2 3.44Å; I652-V688 VanDerWaalsContact CG2-CG2 3.44Å; V669-V688 CarbonylContact O-C 3.55Å; V669-V688 WeakPolarHBondContact O-CA 3.41Å; A671-V688 HydrophobicContact CB-CG1 3.91Å; L683-V688 HydrophobicContact CB-CB 4.2Å; L683-V688 HydrophobicContact CB-CG2 3.98Å; L683-V688 WeakPolarHBondContact O-CB 3.38Å; L683-V688 WeakPolarHBondContact O-CG2 3.27Å; L683-V688 PolarHBondContact O-N 3.3Å; V688-A690 VanDerWaalsContact CG1-O 3.31Å; V688-A690 WeakPolarHBondContact CG1-O 3.41Å; V688-I691 HydrophobicContact CG1-CG1 3.92Å |
| 689 | A | 96.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -35.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C668 V669 V670 G687 L708 | C668-A689 WeakPolarHBondContact SG-CB 3.49Å; V669-A689 PolarHBondContact O-N 2.72Å; V670-A689 HydrophobicContact CG1-CB 4.39Å; G687-A689 PolarHBondContact O-N 3.18Å; A689-L708 HydrophobicContact CB-CD1 4.48Å |
| 690 | A | 97.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 155 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V670 A671 V688 Y692 L708 | V670-A690 WeakPolarHBondContact CA-O 3.48Å; V670-A690 HydrophobicContact CG1-CB 4.05Å; A671-A690 PolarHBondContact N-O 2.85Å; V688-A690 VanDerWaalsContact CG1-O 3.31Å; V688-A690 WeakPolarHBondContact CG1-O 3.41Å; A690-Y692 HydrophobicContact CB-CE1 4.4Å; A690-Y692 HydrophobicContact CB-CE2 4.02Å; A690-Y692 WeakPolarHBondContact CB-OH 3.43Å; A690-L708 HydrophobicContact CB-CD1 3.75Å |
| 691 | I | 97.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.118 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.7 | -178.9 | -55.9 | 172.6 | 0 | 0 | 0 | 109.1 | A671 I675 Y680 L683 Q684 V688 | A671-I691 HydrophobicContact CB-CG1 4.37Å; A671-I691 CarbonylContact O-C 3.46Å; A671-I691 VanDerWaalsContact O-CA 3.3Å; A671-I691 WeakPolarHBondContact O-CA 3.46Å; I675-I691 HydrophobicContact CB-CG2 4.49Å; I675-I691 HydrophobicContact CD1-CG2 4.01Å; Y680-I691 HydrophobicContact CD1-CD1 3.89Å; Y680-I691 HydrophobicContact CD1-CG2 4.08Å; Y680-I691 HydrophobicContact CD2-CB 4.19Å; Y680-I691 HydrophobicContact CD2-CD1 4.01Å; Y680-I691 HydrophobicContact CD2-CG2 4.28Å; Y680-I691 HydrophobicContact CE1-CG2 3.63Å; Y680-I691 HydrophobicContact CE2-CB 4.03Å; Y680-I691 HydrophobicContact CE2-CG2 3.84Å; Y680-I691 HydrophobicContact CG-CD1 3.61Å; Y680-I691 HydrophobicContact CG-CG2 4.4Å; L683-I691 HydrophobicContact CB-CD1 4.05Å; L683-I691 HydrophobicContact CD1-CD1 4.11Å; Q684-I691 HydrophobicContact CG-CD1 4.3Å; V688-I691 HydrophobicContact CG1-CG1 3.92Å |
| 692 | Y | 96.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 14% | 0.137 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 93 | -177.4 | -55 | -68 | 0 | 0 | 0 | 110.6 | V670 A671 G672 G673 A690 T696 D704 V705 | V670-Y692 HydrophobicContact CB-CE2 3.97Å; V670-Y692 HydrophobicContact CG1-CE2 4.32Å; V670-Y692 HydrophobicContact CG2-CE2 4.16Å; A671-Y692 PolarHBondContact O-N 3.2Å; G672-Y692 WeakPolarHBondContact CA-O 3.43Å; G673-Y692 PolarHBondContact N-O 3.11Å; A690-Y692 HydrophobicContact CB-CE1 4.4Å; A690-Y692 HydrophobicContact CB-CE2 4.02Å; A690-Y692 WeakPolarHBondContact CB-OH 3.43Å; Y692-T696 HydrophobicContact CD1-CG2 3.87Å; Y692-T696 HydrophobicContact CG-CG2 4.39Å; Y692-D704 HydrophobicContact CE1-CB 4.3Å; Y692-D704 VanDerWaalsContact CE1-OD2 3.32Å; Y692-D704 WeakPolarHBondContact CE1-OD2 3.5Å; Y692-D704 VanDerWaalsContact OH-CG 3.32Å; Y692-D704 PolarHBondContact OH-OD2 3.28Å; Y692-V705 HydrophobicContact CE2-CG2 3.74Å; Y692-V705 WeakPolarHBondContact OH-CG2 3.35Å |
| 693 | G | 92 | Very high | 95.8 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | trans | -75.8 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G695 T696 | G693-G695 PolarHBondContact O-N 3.43Å; G693-T696 PolarHBondContact N-OG1 2.91Å; G693-T696 WeakPolarHBondContact O-CB 3.16Å; G693-T696 PolarHBondContact O-N 2.9Å; G693-T696 PolarHBondContact O-OG1 3.43Å | ||
| 694 | P | 92.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | 134.5 | 171.7 | -28.7 | 32.1 | 0 | 0 | 0 | 113.4 | E327 Q328 G673 V674 T696 | E327-P694 HydrophobicContact CB-CB 4.13Å; E327-P694 HydrophobicContact CB-CG 4.41Å; E327-P694 WeakPolarHBondContact OE2-CD 3.47Å; Q328-P694 PolarHBondContact NE2-O 3.01Å; G673-P694 WeakPolarHBondContact O-CD 3.41Å; V674-P694 HydrophobicContact CG2-CG 4.46Å; P694-T696 VanDerWaalsContact C-N 3.34Å |
| 695 | G | 92.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 39 Ų | 39 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -1.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G693 P697 | G693-G695 PolarHBondContact O-N 3.43Å; G695-P697 WeakPolarHBondContact O-CD 3.41Å |
| 696 | T | 94.4 | Very high | 95.7 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | trans | -58.5 | 123.3 | 169.8 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | Y692 G693 P694 M698 | Y692-T696 HydrophobicContact CD1-CG2 3.87Å; Y692-T696 HydrophobicContact CG-CG2 4.39Å; G693-T696 PolarHBondContact N-OG1 2.91Å; G693-T696 WeakPolarHBondContact O-CB 3.16Å; G693-T696 PolarHBondContact O-N 2.9Å; G693-T696 PolarHBondContact O-OG1 3.43Å; P694-T696 VanDerWaalsContact C-N 3.34Å; T696-M698 PolarHBondContact O-N 3.28Å | ||
| 697 | P | 95.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 30.2 Ų | 30.2 | 26% | 0.26 | 19% | 0.19 | S | C | . | . | trans | -63.9 | 131.4 | 173.7 | -20.5 | 33 | 0 | 0 | 0 | 111.1 | G695 L699 D700 S701 | G695-P697 WeakPolarHBondContact O-CD 3.41Å; P697-L699 PolarHBondContact O-N 3.34Å; P697-D700 HydrophobicContact CB-CB 4.17Å; P697-D700 PolarHBondContact O-N 3.32Å; P697-S701 PolarHBondContact O-N 3.42Å | ||
| 698 | M | 95.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | -173.4 | -178.9 | 173.6 | 71 | 0 | 0 | 112.4 | D447 I553 Y557 V603 I604 A607 T696 D700 S701 V702 | D447-M698 WeakPolarHBondContact OD2-CB 3.49Å; D447-M698 PolarHBondContact OD2-N 3.17Å; I553-M698 HydrophobicContact CB-CE 4.39Å; I553-M698 HydrophobicContact CD1-CE 3.77Å; I553-M698 HydrophobicContact CD1-SD 3.66Å; I553-M698 HydrophobicContact CG1-CE 4.07Å; I553-M698 HydrophobicContact CG2-CE 3.44Å; I553-M698 VanDerWaalsContact CG2-CE 3.44Å; Y557-M698 HydrophobicContact CE2-CE 4.05Å; V603-M698 HydrophobicContact CG1-SD 4.02Å; I604-M698 HydrophobicContact CD1-CB 4.33Å; I604-M698 HydrophobicContact CD1-CG 3.85Å; A607-M698 HydrophobicContact CB-CE 3.94Å; A607-M698 HydrophobicContact CB-CG 3.37Å; A607-M698 HydrophobicContact CB-SD 3.19Å; A607-M698 WeakPolarHBondContact CB-SD 3.27Å; T696-M698 PolarHBondContact O-N 3.28Å; M698-D700 VanDerWaalsContact C-N 3.28Å; M698-D700 PolarHBondContact O-N 3.03Å; M698-S701 PolarHBondContact O-N 3.06Å; M698-S701 PolarHBondContact O-OG 3.37Å; M698-V702 VanDerWaalsContact O-CG2 3.27Å; M698-V702 WeakPolarHBondContact O-CG2 3.4Å; M698-V702 PolarHBondContact O-N 3.23Å |
| 699 | L | 95.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -33.5 | 179.3 | -65.3 | -164.5 | 0 | 0 | 0 | 112.8 | Y557 E566 F567 I570 L611 P697 R703 | Y557-L699 HydrophobicContact CD1-CD1 3.98Å; Y557-L699 HydrophobicContact CE1-CD1 3.37Å; Y557-L699 HydrophobicContact CE1-CG 4.09Å; E566-L699 HydrophobicContact CG-CD1 3.86Å; F567-L699 HydrophobicContact CD2-CD2 4.24Å; I570-L699 HydrophobicContact CD1-CB 3.74Å; I570-L699 HydrophobicContact CD1-CD1 4.35Å; I570-L699 HydrophobicContact CD1-CD2 4.16Å; I570-L699 HydrophobicContact CD1-CG 4.29Å; I570-L699 WeakPolarHBondContact CD1-O 3.18Å; L611-L699 HydrophobicContact CD1-CD2 3.6Å; L611-L699 HydrophobicContact CD2-CD2 4.18Å; L611-L699 HydrophobicContact CG-CD2 4.42Å; P697-L699 PolarHBondContact O-N 3.34Å; L699-R703 WeakPolarHBondContact O-CB 3.29Å; L699-R703 PolarHBondContact O-N 3.11Å |
| 700 | D | 95.5 | Very high | 95 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.2 | -43.2 | 176.6 | -70 | -26.4 | 0 | 0 | 0 | 110.8 | P697 M698 V702 R703 D704 | P697-D700 HydrophobicContact CB-CB 4.17Å; P697-D700 PolarHBondContact O-N 3.32Å; M698-D700 VanDerWaalsContact C-N 3.28Å; M698-D700 PolarHBondContact O-N 3.03Å; D700-V702 VanDerWaalsContact C-N 3.34Å; D700-V702 PolarHBondContact O-N 3.23Å; D700-R703 PolarHBondContact O-N 3.07Å; D700-R703 IonicContact OD1-CZ 3.88Å; D700-R703 IonicContact OD1-NH1 3.67Å; D700-R703 PolarHBondContact OD1-NH1 3.08Å; D700-D704 WeakPolarHBondContact O-CB 3.48Å; D700-D704 PolarHBondContact O-N 3.09Å |
| 701 | S | 96.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.2 | 74.3 | 0 | 0 | 0 | 0 | 112.6 | P697 M698 D704 V705 | P697-S701 PolarHBondContact O-N 3.42Å; M698-S701 PolarHBondContact O-N 3.06Å; M698-S701 PolarHBondContact O-OG 3.37Å; S701-D704 PolarHBondContact O-N 3.02Å; S701-V705 WeakPolarHBondContact O-CG2 3.38Å; S701-V705 PolarHBondContact O-N 2.93Å |
| 702 | V | 96.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 177.9 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | I570 Y608 L611 F613 M698 D700 D704 V705 L706 | I570-V702 HydrophobicContact CG2-CG1 3.98Å; Y608-V702 HydrophobicContact CD2-CG2 3.6Å; Y608-V702 HydrophobicContact CE1-CG1 4.46Å; Y608-V702 HydrophobicContact CE2-CB 4.27Å; Y608-V702 HydrophobicContact CE2-CG2 3.36Å; Y608-V702 HydrophobicContact CG-CG2 4.29Å; L611-V702 HydrophobicContact CB-CG1 4.45Å; L611-V702 HydrophobicContact CD1-CB 3.95Å; L611-V702 HydrophobicContact CD1-CG1 3.7Å; L611-V702 HydrophobicContact CD1-CG2 3.67Å; F613-V702 HydrophobicContact CD2-CG1 4.41Å; F613-V702 HydrophobicContact CE2-CG1 3.59Å; F613-V702 HydrophobicContact CZ-CG1 4.11Å; M698-V702 VanDerWaalsContact O-CG2 3.27Å; M698-V702 WeakPolarHBondContact O-CG2 3.4Å; M698-V702 PolarHBondContact O-N 3.23Å; D700-V702 VanDerWaalsContact C-N 3.34Å; D700-V702 PolarHBondContact O-N 3.23Å; V702-D704 VanDerWaalsContact C-N 3.35Å; V702-V705 PolarHBondContact O-N 3.26Å; V702-L706 WeakPolarHBondContact O-CB 3.23Å; V702-L706 PolarHBondContact O-N 3.01Å |
| 703 | R | 95.8 | Very high | 90.6 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | 178.8 | -169.5 | -173.1 | -60.2 | 125.8 | 1.2 | 111.4 | E566 I570 L699 D700 L706 N707 | E566-R703 IonicContact OE1-NH2 2.81Å; I570-R703 HydrophobicContact CD1-CB 4.41Å; L699-R703 WeakPolarHBondContact O-CB 3.29Å; L699-R703 PolarHBondContact O-N 3.11Å; D700-R703 PolarHBondContact O-N 3.07Å; D700-R703 IonicContact OD1-CZ 3.88Å; D700-R703 IonicContact OD1-NH1 3.67Å; D700-R703 PolarHBondContact OD1-NH1 3.08Å; R703-L706 PolarHBondContact O-N 3.36Å; R703-N707 VanDerWaalsContact O-CG 3.24Å; R703-N707 PolarHBondContact O-N 3.07Å; R703-N707 PolarHBondContact O-ND2 3.06Å |
| 704 | D | 96.3 | Very high | 88 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.9 | -172.2 | 36.7 | 0 | 0 | 0 | 111.7 | Y692 D700 S701 V702 L706 N707 L708 | Y692-D704 HydrophobicContact CE1-CB 4.3Å; Y692-D704 VanDerWaalsContact CE1-OD2 3.32Å; Y692-D704 WeakPolarHBondContact CE1-OD2 3.5Å; Y692-D704 VanDerWaalsContact OH-CG 3.32Å; Y692-D704 PolarHBondContact OH-OD2 3.28Å; D700-D704 WeakPolarHBondContact O-CB 3.48Å; D700-D704 PolarHBondContact O-N 3.09Å; S701-D704 PolarHBondContact O-N 3.02Å; V702-D704 VanDerWaalsContact C-N 3.35Å; D704-L706 VanDerWaalsContact C-N 3.34Å; D704-L706 PolarHBondContact O-N 2.78Å; D704-N707 WeakPolarHBondContact O-CB 3.28Å; D704-N707 PolarHBondContact O-N 3.24Å; D704-N707 VanDerWaalsContact O-N 3.14Å; D704-L708 WeakPolarHBondContact O-CG 3.49Å; D704-L708 PolarHBondContact O-N 3.37Å |
| 705 | V | 97.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | Y608 V638 V670 Y692 S701 V702 N707 L708 I709 | Y608-V705 HydrophobicContact CE1-CB 4.46Å; Y608-V705 HydrophobicContact CE1-CG1 4.15Å; Y608-V705 VanDerWaalsContact OH-CB 3.31Å; Y608-V705 WeakPolarHBondContact OH-CB 3.27Å; Y608-V705 WeakPolarHBondContact OH-CG2 3.38Å; V638-V705 HydrophobicContact CG1-CG1 3.88Å; V638-V705 HydrophobicContact CG2-CG1 4.25Å; V670-V705 HydrophobicContact CG1-CG2 4.35Å; V670-V705 HydrophobicContact CG2-CG2 4.27Å; Y692-V705 HydrophobicContact CE2-CG2 3.74Å; Y692-V705 WeakPolarHBondContact OH-CG2 3.35Å; S701-V705 WeakPolarHBondContact O-CG2 3.38Å; S701-V705 PolarHBondContact O-N 2.93Å; V702-V705 PolarHBondContact O-N 3.26Å; V705-N707 VanDerWaalsContact C-N 3.3Å; V705-N707 PolarHBondContact O-N 3.47Å; V705-L708 PolarHBondContact O-N 3.35Å; V705-I709 WeakPolarHBondContact O-CG1 3.49Å; V705-I709 PolarHBondContact O-N 3.44Å |
| 706 | L | 96.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 176.6 | -173.4 | 59.3 | 0 | 0 | 0 | 111.7 | Q573 T574 F577 P585 F613 V702 R703 D704 I709 S710 | Q573-L706 HydrophobicContact CB-CD2 3.48Å; Q573-L706 VanDerWaalsContact CB-CD2 3.48Å; T574-L706 HydrophobicContact CG2-CD1 4.38Å; T574-L706 HydrophobicContact CG2-CD2 3.85Å; F577-L706 HydrophobicContact CB-CD1 4.32Å; F577-L706 HydrophobicContact CD2-CD1 4.03Å; F577-L706 HydrophobicContact CG-CD1 4.3Å; P585-L706 HydrophobicContact CB-CD1 4.14Å; P585-L706 HydrophobicContact CG-CD1 4.11Å; F613-L706 HydrophobicContact CZ-CB 4.17Å; F613-L706 HydrophobicContact CZ-CD1 4.04Å; V702-L706 WeakPolarHBondContact O-CB 3.23Å; V702-L706 PolarHBondContact O-N 3.01Å; R703-L706 PolarHBondContact O-N 3.36Å; D704-L706 VanDerWaalsContact C-N 3.34Å; D704-L706 PolarHBondContact O-N 2.78Å; L706-I709 HydrophobicContact CD1-CD1 4.22Å; L706-I709 HydrophobicContact CD1-CG1 4.49Å; L706-I709 WeakPolarHBondContact O-CG1 3.49Å; L706-S710 WeakPolarHBondContact O-CB 3.08Å; L706-S710 PolarHBondContact O-N 3.2Å; L706-S710 VanDerWaalsContact O-N 3.09Å; L706-S710 PolarHBondContact O-OG 3.43Å |
| 707 | N | 94.9 | Very high | 87.2 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.2 | -68.7 | -31.1 | 0 | 0 | 0 | 111.9 | R703 D704 V705 I709 S710 Q711 | R703-N707 VanDerWaalsContact O-CG 3.24Å; R703-N707 PolarHBondContact O-N 3.07Å; R703-N707 PolarHBondContact O-ND2 3.06Å; D704-N707 WeakPolarHBondContact O-CB 3.28Å; D704-N707 PolarHBondContact O-N 3.24Å; D704-N707 VanDerWaalsContact O-N 3.14Å; V705-N707 VanDerWaalsContact C-N 3.3Å; V705-N707 PolarHBondContact O-N 3.47Å; N707-I709 PolarHBondContact O-N 3.29Å; N707-S710 PolarHBondContact O-N 3.27Å; N707-Q711 WeakPolarHBondContact O-CG 3.11Å; N707-Q711 PolarHBondContact O-N 2.87Å; N707-Q711 VanDerWaalsContact O-N 3.15Å |
| 708 | L | 94.2 | Very high | 86.7 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 179 | -73.2 | 169.8 | 0 | 0 | 0 | 111.7 | V670 A689 A690 D704 V705 Q711 H712 | V670-L708 HydrophobicContact CG1-CD1 4.22Å; A689-L708 HydrophobicContact CB-CD1 4.48Å; A690-L708 HydrophobicContact CB-CD1 3.75Å; D704-L708 WeakPolarHBondContact O-CG 3.49Å; D704-L708 PolarHBondContact O-N 3.37Å; V705-L708 PolarHBondContact O-N 3.35Å; L708-Q711 PolarHBondContact O-N 2.58Å; L708-H712 PolarHBondContact O-ND1 3.01Å |
| 709 | I | 94.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.4 | -29.7 | -180 | 65.7 | 179.8 | 0 | 0 | 0 | 112.3 | F577 P585 F613 H637 V638 C668 V705 L706 N707 Q711 H712 H713 | F577-I709 HydrophobicContact CE2-CD1 4.08Å; F577-I709 HydrophobicContact CE2-CG1 4.02Å; F577-I709 HydrophobicContact CZ-CD1 4.25Å; P585-I709 HydrophobicContact CB-CD1 3.56Å; F613-I709 HydrophobicContact CE1-CD1 4.29Å; H637-I709 HydrophobicContact CB-CB 4.33Å; H637-I709 HydrophobicContact CB-CD1 4.29Å; H637-I709 HydrophobicContact CB-CG2 4.14Å; V638-I709 HydrophobicContact CB-CG2 3.87Å; V638-I709 HydrophobicContact CG1-CG2 4.08Å; C668-I709 HydrophobicContact CB-CG2 4.43Å; V705-I709 WeakPolarHBondContact O-CG1 3.49Å; V705-I709 PolarHBondContact O-N 3.44Å; L706-I709 HydrophobicContact CD1-CD1 4.22Å; L706-I709 HydrophobicContact CD1-CG1 4.49Å; L706-I709 WeakPolarHBondContact O-CG1 3.49Å; N707-I709 PolarHBondContact O-N 3.29Å; I709-Q711 VanDerWaalsContact C-N 3.28Å; I709-Q711 PolarHBondContact O-N 3.13Å; I709-H712 PolarHBondContact O-N 3.11Å; I709-H713 PolarHBondContact O-CD2 2.72Å; I709-H713 VanDerWaalsContact O-CD2 3.23Å |
| 710 | S | 88.8 | Confident | 85.6 | Confident | 49 Ų | 49 | 60 Ų | 60 | 34% | 0.343 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.8 | -28 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | L706 N707 | L706-S710 WeakPolarHBondContact O-CB 3.08Å; L706-S710 PolarHBondContact O-N 3.2Å; L706-S710 VanDerWaalsContact O-N 3.09Å; L706-S710 PolarHBondContact O-OG 3.43Å; N707-S710 PolarHBondContact O-N 3.27Å |
| 711 | Q | 78.3 | Confident | 84.9 | Confident | 141 Ų | 141 | 59.1 Ų | 59.1 | 66% | 0.659 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -79.9 | -18.5 | 177.6 | -70.7 | 174.2 | 10.9 | 0 | 0 | 114.2 | N707 L708 I709 | N707-Q711 WeakPolarHBondContact O-CG 3.11Å; N707-Q711 PolarHBondContact O-N 2.87Å; N707-Q711 VanDerWaalsContact O-N 3.15Å; L708-Q711 PolarHBondContact O-N 2.58Å; I709-Q711 VanDerWaalsContact C-N 3.28Å; I709-Q711 PolarHBondContact O-N 3.13Å |
| 712 | H | 65.4 | Low | 84 | Confident | 111 Ų | 111 | 63.2 Ų | 63.2 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -98.3 | -3.9 | -175.1 | -75.3 | 76.7 | 0 | 0 | 0 | 113.9 | L708 I709 | L708-H712 PolarHBondContact O-ND1 3.01Å; I709-H712 PolarHBondContact O-N 3.11Å |
| 713 | H | 55.4 | Low | 82.9 | Confident | 69 Ų | 69 | 68.5 Ų | 68.5 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | trans | -111.2 | 7.5 | -177.9 | -75.5 | -60.2 | 0 | 0 | 0 | 114.9 | H637 I709 | H637-H713 AromaticContact CD2-CD2 3.75Å; H637-H713 AromaticContact CD2-NE2 3.37Å; H637-H713 PolarHBondContact CD2-NE2 3.47Å; I709-H713 PolarHBondContact O-CD2 2.72Å; I709-H713 VanDerWaalsContact O-CD2 3.23Å | ||
| 714 | D | 38.1 | Very low | 81.7 | Confident | 209 Ų | 209 | 68.3 Ų | 68.3 | 100% | 1.118 | 35% | 0.352 | S | S | * | . | trans | -90.2 | 0 | 160.1 | -73.3 | -24.5 | 0 | 0 | 0 | 110.4 |
Retrieved 714 of 714 residues in 4374.1 ms
(Link to these results)