| 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 | 66.9 | Low | 92.2 | Very high | 203 Ų | 203 | 94.2 Ų | 94.2 | 100% | 1 | 47% | 0.469 | S | S | * | . | 0 | -43.5 | 0 | -160 | 156.5 | 67.6 | 0 | 0 | 112.9 | L3 K4 K5 | M1-L3 PolarHBondContact O-N 2.68Å; M1-K4 PolarHBondContact O-N 2.76Å; M1-K5 PolarHBondContact O-N 2.77Å | |||
| 2 | M | 89 | Confident | 92.6 | Very high | 167 Ų | 167 | 95.9 Ų | 95.9 | 82% | 0.823 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -57.6 | -41.5 | -179.9 | -69.8 | -161.7 | -80.7 | 0 | 0 | 114.8 | K4 K5 A6 | M2-K4 PolarHBondContact O-N 2.84Å; M2-K5 PolarHBondContact O-N 3.31Å; M2-A6 WeakPolarHBondContact O-CB 3.39Å; M2-A6 PolarHBondContact O-N 3.42Å |
| 3 | L | 92.7 | Very high | 92.9 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | -179 | -178.8 | 62.3 | 0 | 0 | 0 | 113.2 | M1 K5 A6 Y7 L24 L44 | M1-L3 PolarHBondContact O-N 2.68Å; L3-K5 VanDerWaalsContact C-N 3.29Å; L3-K5 PolarHBondContact O-N 3.04Å; L3-A6 PolarHBondContact O-N 2.95Å; L3-Y7 WeakPolarHBondContact O-CB 3.38Å; L3-Y7 PolarHBondContact O-N 2.91Å; L3-L24 HydrophobicContact CD2-CD2 4.03Å; L3-L24 HydrophobicContact CG-CD2 3.89Å; L3-L44 HydrophobicContact CD2-CD2 4.16Å |
| 4 | K | 94.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 103.1 Ų | 103.1 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 178 | -61.5 | -177.5 | -173.2 | -178.2 | 0 | 111.5 | M1 M2 Q8 L24 E25 L44 | M1-K4 PolarHBondContact O-N 2.76Å; M2-K4 PolarHBondContact O-N 2.84Å; K4-Q8 WeakPolarHBondContact O-CB 3.41Å; K4-Q8 PolarHBondContact O-N 2.79Å; K4-L24 HydrophobicContact CG-CD2 4.34Å; K4-E25 VanDerWaalsContact CD-OE1 3.28Å; K4-E25 WeakPolarHBondContact CD-OE1 3.24Å; K4-E25 WeakPolarHBondContact CE-OE1 3.42Å; K4-E25 IonicContact NZ-OE1 2.66Å; K4-E25 PolarHBondContact NZ-OE1 3.13Å; K4-L44 WeakPolarHBondContact CE-O 3.43Å; K4-L44 PolarHBondContact NZ-O 3.14Å |
| 5 | K | 94.6 | Very high | 93.2 | Very high | 138 Ų | 138 | 100.8 Ų | 100.8 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -50.3 | 176.4 | -172.7 | -174.6 | 178.7 | -157 | 0 | 111.2 | M1 M2 L3 Y7 Q8 E9 | M1-K5 PolarHBondContact O-N 2.77Å; M2-K5 PolarHBondContact O-N 3.31Å; L3-K5 VanDerWaalsContact C-N 3.29Å; L3-K5 PolarHBondContact O-N 3.04Å; K5-Y7 VanDerWaalsContact C-N 3.29Å; K5-Y7 PolarHBondContact O-N 3.08Å; K5-Q8 WeakPolarHBondContact O-CA 3.32Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 PolarHBondContact O-N 3.46Å; K5-E9 WeakPolarHBondContact CE-OE1 3.48Å; K5-E9 IonicContact NZ-OE1 3.25Å; K5-E9 WeakPolarHBondContact O-CG 3.11Å; K5-E9 PolarHBondContact O-N 3.36Å |
| 6 | A | 95.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 99.9 Ų | 99.9 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M2 L3 Q8 E9 V10 | M2-A6 WeakPolarHBondContact O-CB 3.39Å; M2-A6 PolarHBondContact O-N 3.42Å; L3-A6 PolarHBondContact O-N 2.95Å; A6-Q8 VanDerWaalsContact C-N 3.33Å; A6-Q8 PolarHBondContact O-N 3.48Å; A6-E9 PolarHBondContact O-N 3.43Å; A6-V10 WeakPolarHBondContact O-CG2 3.3Å; A6-V10 PolarHBondContact O-N 3.03Å |
| 7 | Y | 95.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 105.8 Ų | 105.8 | 27% | 0.267 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 174 | -169.7 | -96.9 | 0 | 0 | 0 | 112.2 | L3 K5 E9 V10 L11 L24 D27 | L3-Y7 WeakPolarHBondContact O-CB 3.38Å; L3-Y7 PolarHBondContact O-N 2.91Å; K5-Y7 VanDerWaalsContact C-N 3.29Å; K5-Y7 PolarHBondContact O-N 3.08Å; Y7-E9 VanDerWaalsContact C-N 3.34Å; Y7-E9 PolarHBondContact O-N 3.19Å; Y7-V10 PolarHBondContact O-N 2.89Å; Y7-L11 HydrophobicContact CD1-CD1 3.76Å; Y7-L11 HydrophobicContact CD1-CG 4.05Å; Y7-L11 HydrophobicContact CE1-CD1 3.47Å; Y7-L11 VanDerWaalsContact CE1-CD1 3.47Å; Y7-L11 HydrophobicContact CE1-CD2 4.24Å; Y7-L11 HydrophobicContact CE1-CG 3.78Å; Y7-L11 WeakPolarHBondContact O-CG 3.28Å; Y7-L11 PolarHBondContact O-N 2.91Å; Y7-L24 HydrophobicContact CD1-CB 3.65Å; Y7-L24 HydrophobicContact CD1-CD1 4.26Å; Y7-L24 HydrophobicContact CD2-CD1 3.75Å; Y7-L24 HydrophobicContact CE1-CB 4.13Å; Y7-L24 HydrophobicContact CE1-CD1 4.33Å; Y7-L24 HydrophobicContact CE2-CD1 3.86Å; Y7-L24 HydrophobicContact CG-CB 3.88Å; Y7-L24 HydrophobicContact CG-CD1 3.95Å; Y7-L24 HydrophobicContact CG-CG 4.36Å; Y7-D27 WeakPolarHBondContact CE1-OD2 3.21Å; Y7-D27 PolarHBondContact OH-OD2 3.19Å |
| 8 | Q | 96.2 | Very high | 93.3 | Very high | 49 Ų | 49 | 106.2 Ų | 106.2 | 23% | 0.229 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 177.3 | -170.6 | 64 | 53.8 | 0 | 0 | 112.4 | K4 K5 A6 L11 Q12 A19 R22 | K4-Q8 WeakPolarHBondContact O-CB 3.41Å; K4-Q8 PolarHBondContact O-N 2.79Å; K5-Q8 WeakPolarHBondContact O-CA 3.32Å; K5-Q8 WeakPolarHBondContact O-CB 3.49Å; K5-Q8 PolarHBondContact O-N 3.46Å; A6-Q8 VanDerWaalsContact C-N 3.33Å; A6-Q8 PolarHBondContact O-N 3.48Å; Q8-L11 PolarHBondContact O-N 2.87Å; Q8-Q12 VanDerWaalsContact O-CG 3.29Å; Q8-Q12 WeakPolarHBondContact O-CG 3.23Å; Q8-Q12 PolarHBondContact O-N 3.47Å; Q8-A19 PolarHBondContact NE2-O 3.28Å; Q8-R22 PolarHBondContact OE1-O 2.94Å |
| 9 | E | 96.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 175.4 | -71.4 | 166.7 | -179.8 | 0 | 0 | 110.4 | K5 A6 Y7 L11 Q12 E13 | K5-E9 WeakPolarHBondContact CE-OE1 3.48Å; K5-E9 IonicContact NZ-OE1 3.25Å; K5-E9 WeakPolarHBondContact O-CG 3.11Å; K5-E9 PolarHBondContact O-N 3.36Å; A6-E9 PolarHBondContact O-N 3.43Å; Y7-E9 VanDerWaalsContact C-N 3.34Å; Y7-E9 PolarHBondContact O-N 3.19Å; E9-L11 PolarHBondContact O-N 3.02Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.4Å; E9-Q12 VanDerWaalsContact O-N 3.15Å; E9-E13 PolarHBondContact O-N 3.17Å; E9-E13 VanDerWaalsContact O-N 3.15Å |
| 10 | V | 96.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 101.3 Ų | 101.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.6 | A6 Y7 Q12 E13 E14 | A6-V10 WeakPolarHBondContact O-CG2 3.3Å; A6-V10 PolarHBondContact O-N 3.03Å; Y7-V10 PolarHBondContact O-N 2.89Å; V10-Q12 VanDerWaalsContact C-N 3.28Å; V10-Q12 PolarHBondContact O-N 3.4Å; V10-E13 PolarHBondContact O-N 2.93Å; V10-E14 HydrophobicContact CG1-CG 4Å; V10-E14 WeakPolarHBondContact O-CB 3.35Å; V10-E14 WeakPolarHBondContact O-CG 3.41Å; V10-E14 PolarHBondContact O-N 3.32Å |
| 11 | L | 96 | Very high | 93.2 | Very high | 8 Ų | 8 | 104 Ų | 104 | 4% | 0.042 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 176.2 | -79.8 | -178.9 | 0 | 0 | 0 | 112.7 | Y7 Q8 E9 E13 E15 A19 R22 | Y7-L11 HydrophobicContact CD1-CD1 3.76Å; Y7-L11 HydrophobicContact CD1-CG 4.05Å; Y7-L11 HydrophobicContact CE1-CD1 3.47Å; Y7-L11 VanDerWaalsContact CE1-CD1 3.47Å; Y7-L11 HydrophobicContact CE1-CD2 4.24Å; Y7-L11 HydrophobicContact CE1-CG 3.78Å; Y7-L11 WeakPolarHBondContact O-CG 3.28Å; Y7-L11 PolarHBondContact O-N 2.91Å; Q8-L11 PolarHBondContact O-N 2.87Å; E9-L11 PolarHBondContact O-N 3.02Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E15 CarbonylContact O-C 3.49Å; L11-E15 WeakPolarHBondContact O-CA 3.43Å; L11-E15 PolarHBondContact O-N 3.14Å; L11-A19 HydrophobicContact CB-CB 4.14Å; L11-A19 WeakPolarHBondContact O-CB 3.44Å; L11-R22 HydrophobicContact CD1-CB 3.86Å |
| 12 | Q | 96.5 | Very high | 94.6 | Very high | 115 Ų | 115 | 97 Ų | 97 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | 178.3 | -74.8 | 171.6 | 3.5 | 0 | 0 | 112 | Q8 E9 V10 P16 A19 | Q8-Q12 VanDerWaalsContact O-CG 3.29Å; Q8-Q12 WeakPolarHBondContact O-CG 3.23Å; Q8-Q12 PolarHBondContact O-N 3.47Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.4Å; E9-Q12 VanDerWaalsContact O-N 3.15Å; V10-Q12 VanDerWaalsContact C-N 3.28Å; V10-Q12 PolarHBondContact O-N 3.4Å; Q12-P16 WeakPolarHBondContact O-CB 3.44Å; Q12-A19 HydrophobicContact CG-CB 4.01Å |
| 13 | E | 96.9 | Very high | 94.9 | Very high | 153 Ų | 153 | 91.9 Ų | 91.9 | 72% | 0.715 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -76.1 | -50.2 | 177.4 | -172.7 | 167.8 | -172.2 | 0 | 0 | 112 | E9 V10 L11 | E9-E13 PolarHBondContact O-N 3.17Å; E9-E13 VanDerWaalsContact O-N 3.15Å; V10-E13 PolarHBondContact O-N 2.93Å; L11-E13 VanDerWaalsContact C-N 3.32Å |
| 14 | E | 95.9 | Very high | 95.1 | Very high | 140 Ų | 140 | 87.3 Ų | 87.3 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -85.5 | -34.7 | -171.2 | -63.4 | -63 | 145.5 | 0 | 0 | 113.5 | V10 | V10-E14 HydrophobicContact CG1-CG 4Å; V10-E14 WeakPolarHBondContact O-CB 3.35Å; V10-E14 WeakPolarHBondContact O-CG 3.41Å; V10-E14 PolarHBondContact O-N 3.32Å |
| 15 | E | 94.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 86.3 Ų | 86.3 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | trans | -134.8 | 56.2 | -177.1 | -68.8 | -167.8 | -108.1 | 0 | 0 | 113.1 | L11 K17 K18 A19 R22 | L11-E15 CarbonylContact O-C 3.49Å; L11-E15 WeakPolarHBondContact O-CA 3.43Å; L11-E15 PolarHBondContact O-N 3.14Å; E15-K17 PolarHBondContact O-N 2.59Å; E15-K18 PolarHBondContact O-N 2.84Å; E15-K18 WeakPolarHBondContact OE2-CD 3.08Å; E15-K18 IonicContact OE2-NZ 3.18Å; E15-K18 PolarHBondContact OE2-NZ 3.12Å; E15-A19 PolarHBondContact O-N 2.72Å; E15-R22 IonicContact OE1-CZ 3.66Å; E15-R22 IonicContact OE1-NH1 2.6Å; E15-R22 PolarHBondContact OE1-NH1 2.99Å; E15-R22 IonicContact OE2-NH1 3.42Å; E15-R22 PolarHBondContact OE2-NH1 2.69Å | ||
| 16 | P | 93.2 | Very high | 95.3 | Very high | 86 Ų | 86 | 81.7 Ų | 81.7 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.8 | -170.4 | 17.4 | -31.4 | 0 | 0 | 0 | 114.4 | Q12 K18 | Q12-P16 WeakPolarHBondContact O-CB 3.44Å; P16-K18 VanDerWaalsContact C-N 3.31Å; P16-K18 PolarHBondContact O-N 3.04Å |
| 17 | K | 95.1 | Very high | 95.3 | Very high | 200 Ų | 200 | 80.2 Ų | 80.2 | 87% | 0.87 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.5 | 179.7 | -65.3 | -175.6 | -178.4 | 177.9 | 0 | 113.9 | E15 | E15-K17 PolarHBondContact O-N 2.59Š|
| 18 | K | 92.6 | Very high | 95.4 | Very high | 113 Ų | 113 | 78.4 Ų | 78.4 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -13.4 | -177.9 | -61.8 | -177.4 | -163 | 154.4 | 0 | 112.9 | E15 P16 S20 Q21 R22 | E15-K18 PolarHBondContact O-N 2.84Å; E15-K18 WeakPolarHBondContact OE2-CD 3.08Å; E15-K18 IonicContact OE2-NZ 3.18Å; E15-K18 PolarHBondContact OE2-NZ 3.12Å; P16-K18 VanDerWaalsContact C-N 3.31Å; P16-K18 PolarHBondContact O-N 3.04Å; K18-S20 PolarHBondContact O-N 3.19Å; K18-S20 VanDerWaalsContact O-N 3.11Å; K18-Q21 PolarHBondContact O-N 3.17Å; K18-R22 PolarHBondContact O-N 3.12Å |
| 19 | A | 92.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 80 Ų | 80 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -53.1 | -34.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q8 L11 Q12 E15 Q21 | Q8-A19 PolarHBondContact NE2-O 3.28Å; L11-A19 HydrophobicContact CB-CB 4.14Å; L11-A19 WeakPolarHBondContact O-CB 3.44Å; Q12-A19 HydrophobicContact CG-CB 4.01Å; E15-A19 PolarHBondContact O-N 2.72Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; A19-Q21 PolarHBondContact O-N 3.43Å |
| 20 | S | 92.5 | Very high | 95.5 | Very high | 110 Ų | 110 | 83 Ų | 83 | 77% | 0.769 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -73.7 | -16.2 | 179.7 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | K18 | K18-S20 PolarHBondContact O-N 3.19Å; K18-S20 VanDerWaalsContact O-N 3.11Å |
| 21 | Q | 93.9 | Very high | 95.6 | Very high | 158 Ų | 158 | 85.7 Ų | 85.7 | 74% | 0.738 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -105.1 | -4.6 | -177.3 | -61.7 | 177.3 | 1.2 | 0 | 0 | 112.8 | K18 A19 | K18-Q21 PolarHBondContact O-N 3.17Å; A19-Q21 VanDerWaalsContact C-N 3.29Å; A19-Q21 PolarHBondContact O-N 3.43Å |
| 22 | R | 95.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 86.8 Ų | 86.8 | 21% | 0.208 | 43% | 0.431 | C | S | . | . | trans | -121 | 148.2 | -175.4 | -70.2 | 176.9 | 62.2 | -164.7 | -7.1 | 110.3 | Q8 L11 E15 K18 D27 | Q8-R22 PolarHBondContact OE1-O 2.94Å; L11-R22 HydrophobicContact CD1-CB 3.86Å; E15-R22 IonicContact OE1-CZ 3.66Å; E15-R22 IonicContact OE1-NH1 2.6Å; E15-R22 PolarHBondContact OE1-NH1 2.99Å; E15-R22 IonicContact OE2-NH1 3.42Å; E15-R22 PolarHBondContact OE2-NH1 2.69Å; K18-R22 PolarHBondContact O-N 3.12Å; R22-D27 IonicContact CZ-OD1 2.75Å; R22-D27 IonicContact CZ-OD2 2.96Å; R22-D27 VanDerWaalsContact NE-CG 3.3Å; R22-D27 IonicContact NE-OD1 3.14Å; R22-D27 PolarHBondContact NE-OD1 3.33Å; R22-D27 IonicContact NE-OD2 3.78Å; R22-D27 PolarHBondContact NE-OD2 3.15Å; R22-D27 VanDerWaalsContact NH2-CG 3.33Å; R22-D27 IonicContact NH2-OD1 3.16Å; R22-D27 IonicContact NH2-OD2 3.3Å; R22-D27 PolarHBondContact NH2-OD2 3.25Å | ||
| 23 | T | 95.7 | Very high | 95.7 | Very high | 60 Ų | 60 | 89.7 Ų | 89.7 | 37% | 0.368 | 44% | 0.441 | S | S | . | . | trans | -139 | 160.8 | 174.4 | 59.1 | 0 | 0 | 0 | 0 | 107.7 | E25 S26 D27 | T23-E25 PolarHBondContact O-N 3.18Å; T23-S26 PolarHBondContact N-OG 3.43Å; T23-S26 PolarHBondContact O-N 3.42Å; T23-S26 PolarHBondContact O-OG 3.06Å; T23-S26 WeakPolarHBondContact OG1-CB 3.3Å; T23-S26 PolarHBondContact OG1-N 3.44Å; T23-S26 PolarHBondContact OG1-OG 3.36Å; T23-S26 VanDerWaalsContact OG1-OG 3.1Å; T23-D27 WeakPolarHBondContact O-CB 3.44Å; T23-D27 PolarHBondContact O-N 3.24Å | ||
| 24 | L | 96.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 86 Ų | 86 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -53.8 | -41.5 | 174 | 178.1 | 57.8 | 0 | 0 | 0 | 111.2 | L3 K4 Y7 I28 L44 | L3-L24 HydrophobicContact CD2-CD2 4.03Å; L3-L24 HydrophobicContact CG-CD2 3.89Å; K4-L24 HydrophobicContact CG-CD2 4.34Å; Y7-L24 HydrophobicContact CD1-CB 3.65Å; Y7-L24 HydrophobicContact CD1-CD1 4.26Å; Y7-L24 HydrophobicContact CD2-CD1 3.75Å; Y7-L24 HydrophobicContact CE1-CB 4.13Å; Y7-L24 HydrophobicContact CE1-CD1 4.33Å; Y7-L24 HydrophobicContact CE2-CD1 3.86Å; Y7-L24 HydrophobicContact CG-CB 3.88Å; Y7-L24 HydrophobicContact CG-CD1 3.95Å; Y7-L24 HydrophobicContact CG-CG 4.36Å; L24-I28 HydrophobicContact CD1-CD1 3.83Å; L24-I28 HydrophobicContact CD1-CG1 4.35Å; L24-I28 HydrophobicContact CG-CD1 3.94Å; L24-I28 WeakPolarHBondContact O-CB 3.41Å; L24-I28 WeakPolarHBondContact O-CG1 3.12Å; L24-I28 PolarHBondContact O-N 3.08Å; L24-L44 HydrophobicContact CD2-CD1 3.96Å; L24-L44 HydrophobicContact CD2-CD2 3.71Å; L24-L44 HydrophobicContact CG-CD1 3.83Å; L24-L44 HydrophobicContact CG-CD2 4.5Å |
| 25 | E | 96.3 | Very high | 95.8 | Very high | 43 Ų | 43 | 81.3 Ų | 81.3 | 20% | 0.201 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 177.5 | -66.2 | 94.5 | 133.5 | 0 | 0 | 113.1 | K4 T23 D27 I28 I29 L44 | K4-E25 VanDerWaalsContact CD-OE1 3.28Å; K4-E25 WeakPolarHBondContact CD-OE1 3.24Å; K4-E25 WeakPolarHBondContact CE-OE1 3.42Å; K4-E25 IonicContact NZ-OE1 2.66Å; K4-E25 PolarHBondContact NZ-OE1 3.13Å; T23-E25 PolarHBondContact O-N 3.18Å; E25-D27 PolarHBondContact O-N 3.37Å; E25-I28 PolarHBondContact O-N 3.35Å; E25-I29 WeakPolarHBondContact O-CB 3.32Å; E25-I29 WeakPolarHBondContact O-CD1 3.15Å; E25-I29 VanDerWaalsContact O-CG1 3.22Å; E25-I29 WeakPolarHBondContact O-CG1 3.41Å; E25-I29 PolarHBondContact O-N 2.92Å; E25-L44 HydrophobicContact CG-CB 4.33Å; E25-L44 HydrophobicContact CG-CD1 4.03Å |
| 26 | S | 96.6 | Very high | 96 | Very high | 41 Ų | 41 | 80.9 Ų | 80.9 | 29% | 0.287 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | T23 I29 K30 | T23-S26 PolarHBondContact N-OG 3.43Å; T23-S26 PolarHBondContact O-N 3.42Å; T23-S26 PolarHBondContact O-OG 3.06Å; T23-S26 WeakPolarHBondContact OG1-CB 3.3Å; T23-S26 PolarHBondContact OG1-N 3.44Å; T23-S26 PolarHBondContact OG1-OG 3.36Å; T23-S26 VanDerWaalsContact OG1-OG 3.1Å; S26-I29 PolarHBondContact O-N 3.48Å; S26-K30 WeakPolarHBondContact O-CB 3.18Å; S26-K30 PolarHBondContact O-N 2.97Å |
| 27 | D | 97.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 78.5 Ų | 78.5 | 7% | 0.07 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.5 | -40.6 | 178.8 | -67.7 | -17.2 | 0 | 0 | 0 | 110.9 | Y7 R22 T23 E25 I29 K30 E31 | Y7-D27 WeakPolarHBondContact CE1-OD2 3.21Å; Y7-D27 PolarHBondContact OH-OD2 3.19Å; R22-D27 IonicContact CZ-OD1 2.75Å; R22-D27 IonicContact CZ-OD2 2.96Å; R22-D27 VanDerWaalsContact NE-CG 3.3Å; R22-D27 IonicContact NE-OD1 3.14Å; R22-D27 PolarHBondContact NE-OD1 3.33Å; R22-D27 IonicContact NE-OD2 3.78Å; R22-D27 PolarHBondContact NE-OD2 3.15Å; R22-D27 VanDerWaalsContact NH2-CG 3.33Å; R22-D27 IonicContact NH2-OD1 3.16Å; R22-D27 IonicContact NH2-OD2 3.3Å; R22-D27 PolarHBondContact NH2-OD2 3.25Å; T23-D27 WeakPolarHBondContact O-CB 3.44Å; T23-D27 PolarHBondContact O-N 3.24Å; E25-D27 PolarHBondContact O-N 3.37Å; D27-I29 VanDerWaalsContact C-N 3.34Å; D27-I29 PolarHBondContact O-N 3.36Å; D27-K30 PolarHBondContact O-N 2.88Å; D27-E31 VanDerWaalsContact O-CB 3.32Å; D27-E31 WeakPolarHBondContact O-CB 3.42Å; D27-E31 VanDerWaalsContact O-CG 3.24Å; D27-E31 WeakPolarHBondContact O-CG 3.19Å; D27-E31 PolarHBondContact O-N 3.07Å |
| 28 | I | 97.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 72.3 Ų | 72.3 | 16% | 0.159 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 171.5 | -77.9 | 164.4 | 0 | 0 | 0 | 111.7 | L24 E25 K30 E31 T32 L40 V41 L44 | L24-I28 HydrophobicContact CD1-CD1 3.83Å; L24-I28 HydrophobicContact CD1-CG1 4.35Å; L24-I28 HydrophobicContact CG-CD1 3.94Å; L24-I28 WeakPolarHBondContact O-CB 3.41Å; L24-I28 WeakPolarHBondContact O-CG1 3.12Å; L24-I28 PolarHBondContact O-N 3.08Å; E25-I28 PolarHBondContact O-N 3.35Å; I28-K30 PolarHBondContact O-N 3.2Å; I28-E31 PolarHBondContact O-N 3.25Å; I28-T32 WeakPolarHBondContact O-CB 3.39Å; I28-T32 PolarHBondContact O-N 3Å; I28-T32 PolarHBondContact O-OG1 3.3Å; I28-L40 HydrophobicContact CG2-CB 3.72Å; I28-L40 HydrophobicContact CG2-CD1 3.85Å; I28-L40 HydrophobicContact CG2-CG 4.47Å; I28-V41 HydrophobicContact CG2-CG2 4.25Å; I28-L44 HydrophobicContact CD1-CD1 3.3Å; I28-L44 HydrophobicContact CD1-CG 4.46Å |
| 29 | I | 97.9 | Very high | 96.7 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.8 | -71 | 163.9 | 0 | 0 | 0 | 110.7 | E25 S26 D27 E37 V41 | E25-I29 WeakPolarHBondContact O-CB 3.32Å; E25-I29 WeakPolarHBondContact O-CD1 3.15Å; E25-I29 VanDerWaalsContact O-CG1 3.22Å; E25-I29 WeakPolarHBondContact O-CG1 3.41Å; E25-I29 PolarHBondContact O-N 2.92Å; S26-I29 PolarHBondContact O-N 3.48Å; D27-I29 VanDerWaalsContact C-N 3.34Å; D27-I29 PolarHBondContact O-N 3.36Å; I29-E37 HydrophobicContact CB-CG 4.47Å; I29-E37 HydrophobicContact CG1-CG 4.26Å; I29-V41 HydrophobicContact CD1-CG2 4.19Å; I29-V41 HydrophobicContact CG1-CG2 3.74Å |
| 30 | K | 97.2 | Very high | 96.9 | Very high | 157 Ų | 157 | 68.4 Ų | 68.4 | 68% | 0.683 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -75.1 | -39.5 | 179.9 | -173.9 | -173.2 | 170.5 | -156.9 | 0 | 113.1 | S26 D27 I28 | S26-K30 WeakPolarHBondContact O-CB 3.18Å; S26-K30 PolarHBondContact O-N 2.97Å; D27-K30 PolarHBondContact O-N 2.88Å; I28-K30 PolarHBondContact O-N 3.2Å |
| 31 | E | 97.4 | Very high | 97.2 | Very high | 139 Ų | 139 | 64.1 Ų | 64.1 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -93.4 | -8.1 | -170.7 | -61.4 | -56.8 | 143.3 | 0 | 0 | 113.5 | D27 I28 | D27-E31 VanDerWaalsContact O-CB 3.32Å; D27-E31 WeakPolarHBondContact O-CB 3.42Å; D27-E31 VanDerWaalsContact O-CG 3.24Å; D27-E31 WeakPolarHBondContact O-CG 3.19Å; D27-E31 PolarHBondContact O-N 3.07Å; I28-E31 PolarHBondContact O-N 3.25Å |
| 32 | T | 97.6 | Very high | 97.3 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | trans | -126.7 | 168.6 | 178.7 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | I28 Y36 E37 L40 | I28-T32 WeakPolarHBondContact O-CB 3.39Å; I28-T32 PolarHBondContact O-N 3Å; I28-T32 PolarHBondContact O-OG1 3.3Å; T32-Y36 HydrophobicContact CG2-CD1 4.17Å; T32-Y36 HydrophobicContact CG2-CE1 4.24Å; T32-E37 VanDerWaalsContact OG1-CA 3.24Å; T32-E37 WeakPolarHBondContact OG1-CA 3.4Å; T32-E37 VanDerWaalsContact OG1-CB 3.22Å; T32-E37 WeakPolarHBondContact OG1-CB 3.47Å; T32-E37 WeakPolarHBondContact OG1-CG 3.15Å; T32-L40 HydrophobicContact CG2-CD1 4.04Å | ||
| 33 | K | 97.7 | Very high | 97.3 | Very high | 175 Ų | 175 | 58.3 Ų | 58.3 | 76% | 0.761 | 30% | 0.297 | S | S | * | . | trans | -122.8 | 148.5 | -179.2 | -65.2 | -177.9 | -178.6 | 177.4 | 0 | 111 | Y36 E37 | K33-Y36 PolarHBondContact O-N 2.9Å; K33-Y36 VanDerWaalsContact O-N 3.08Å; K33-E37 VanDerWaalsContact C-CB 3.46Å; K33-E37 PolarHBondContact O-N 2.86Å | ||
| 34 | P | 97.8 | Very high | 97.4 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 147.2 | 169.2 | -26.2 | 35 | 0 | 0 | 0 | 112 | E37 Q38 | P34-E37 WeakPolarHBondContact CD-OE2 3.24Å; P34-E37 HydrophobicContact CG-CB 4.5Å; P34-E37 WeakPolarHBondContact CG-OE2 3.31Å; P34-Q38 HydrophobicContact CB-CG 4.29Å |
| 35 | P | 97.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -84.5 | -4.8 | 0.1 | 33.3 | -35.9 | 0 | 0 | 0 | 114.5 | E37 Q38 L39 S94 I98 F136 | P35-E37 PolarHBondContact O-N 3.02Å; P35-Q38 PolarHBondContact O-N 3.07Å; P35-L39 PolarHBondContact O-N 2.9Å; P35-S94 WeakPolarHBondContact CB-OG 3.47Å; P35-I98 HydrophobicContact CB-CD1 4.27Å; P35-F136 HydrophobicContact CB-CD1 4.42Å; P35-F136 HydrophobicContact CB-CD2 4.24Å; P35-F136 HydrophobicContact CB-CE1 4.24Å; P35-F136 HydrophobicContact CB-CE2 4.04Å; P35-F136 HydrophobicContact CB-CG 4.42Å; P35-F136 HydrophobicContact CB-CZ 4.03Å; P35-F136 HydrophobicContact CG-CB 4.28Å; P35-F136 HydrophobicContact CG-CD1 3.61Å; P35-F136 HydrophobicContact CG-CD2 4.03Å; P35-F136 HydrophobicContact CG-CE1 3.83Å; P35-F136 HydrophobicContact CG-CE2 4.2Å; P35-F136 HydrophobicContact CG-CG 3.72Å; P35-F136 HydrophobicContact CG-CZ 4.11Å |
| 36 | Y | 98.5 | Very high | 97.2 | Very high | 60 Ų | 60 | 61.5 Ų | 61.5 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | -177.9 | -177.2 | -124 | 0 | 0 | 0 | 112.6 | T32 K33 Q38 L39 L40 P135 | T32-Y36 HydrophobicContact CG2-CD1 4.17Å; T32-Y36 HydrophobicContact CG2-CE1 4.24Å; K33-Y36 PolarHBondContact O-N 2.9Å; K33-Y36 VanDerWaalsContact O-N 3.08Å; Y36-Q38 VanDerWaalsContact C-N 3.3Å; Y36-Q38 PolarHBondContact O-N 3.22Å; Y36-L39 HydrophobicContact CD2-CD2 4.48Å; Y36-L39 WeakPolarHBondContact O-CB 3.42Å; Y36-L39 PolarHBondContact O-N 3.49Å; Y36-L40 HydrophobicContact CD1-CD1 3.99Å; Y36-L40 HydrophobicContact CD1-CG 4.5Å; Y36-L40 HydrophobicContact CD2-CG 4.43Å; Y36-L40 HydrophobicContact CE1-CD1 3.56Å; Y36-L40 HydrophobicContact CE1-CG 4.2Å; Y36-L40 HydrophobicContact CE2-CD1 4.35Å; Y36-L40 HydrophobicContact CE2-CD2 4.02Å; Y36-L40 HydrophobicContact CE2-CG 4.11Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 3.27Å; Y36-P135 HydrophobicContact CD1-CB 4.13Å; Y36-P135 HydrophobicContact CD1-CG 3.4Å; Y36-P135 HydrophobicContact CD2-CB 4.36Å; Y36-P135 HydrophobicContact CD2-CG 4.17Å; Y36-P135 HydrophobicContact CE1-CB 3.99Å; Y36-P135 HydrophobicContact CE1-CG 3.71Å; Y36-P135 HydrophobicContact CE2-CB 4.24Å; Y36-P135 HydrophobicContact CE2-CG 4.44Å; Y36-P135 HydrophobicContact CG-CB 4.3Å; Y36-P135 HydrophobicContact CG-CG 3.64Å |
| 37 | E | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 68 Ų | 68 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.5 | -49.8 | 172.3 | -176.4 | -122.7 | 101.9 | 0 | 0 | 112.1 | I29 T32 K33 P34 P35 L39 L40 V41 | I29-E37 HydrophobicContact CB-CG 4.47Å; I29-E37 HydrophobicContact CG1-CG 4.26Å; T32-E37 VanDerWaalsContact OG1-CA 3.24Å; T32-E37 WeakPolarHBondContact OG1-CA 3.4Å; T32-E37 VanDerWaalsContact OG1-CB 3.22Å; T32-E37 WeakPolarHBondContact OG1-CB 3.47Å; T32-E37 WeakPolarHBondContact OG1-CG 3.15Å; K33-E37 VanDerWaalsContact C-CB 3.46Å; K33-E37 PolarHBondContact O-N 2.86Å; P34-E37 WeakPolarHBondContact CD-OE2 3.24Å; P34-E37 HydrophobicContact CG-CB 4.5Å; P34-E37 WeakPolarHBondContact CG-OE2 3.31Å; P35-E37 PolarHBondContact O-N 3.02Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.37Å; E37-L40 PolarHBondContact O-N 3.48Å; E37-V41 WeakPolarHBondContact O-CG2 3.06Å; E37-V41 PolarHBondContact O-N 2.71Å |
| 38 | Q | 98.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 70.2 Ų | 70.2 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | -179.1 | -64.5 | 170.2 | -25 | 0 | 0 | 112.2 | P34 P35 Y36 A42 I98 | P34-Q38 HydrophobicContact CB-CG 4.29Å; P35-Q38 PolarHBondContact O-N 3.07Å; Y36-Q38 VanDerWaalsContact C-N 3.3Å; Y36-Q38 PolarHBondContact O-N 3.22Å; Q38-A42 WeakPolarHBondContact O-CB 3.37Å; Q38-A42 PolarHBondContact O-N 3.09Å; Q38-I98 HydrophobicContact CB-CD1 3.88Å |
| 39 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 174.1 | 172.9 | 63 | 0 | 0 | 0 | 111.3 | P35 Y36 E37 A42 L43 I98 T102 F136 L140 M143 | P35-L39 PolarHBondContact O-N 2.9Å; Y36-L39 HydrophobicContact CD2-CD2 4.48Å; Y36-L39 WeakPolarHBondContact O-CB 3.42Å; Y36-L39 PolarHBondContact O-N 3.49Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.37Å; L39-A42 PolarHBondContact O-N 3.36Å; L39-L43 HydrophobicContact CD1-CD1 4.16Å; L39-L43 HydrophobicContact CD1-CG 4.26Å; L39-L43 HydrophobicContact CG-CD1 4.2Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 2.94Å; L39-I98 HydrophobicContact CB-CD1 4.27Å; L39-I98 HydrophobicContact CB-CG1 4.18Å; L39-I98 HydrophobicContact CD1-CG1 4.46Å; L39-T102 HydrophobicContact CD1-CG2 3.66Å; L39-F136 HydrophobicContact CB-CD2 4.26Å; L39-F136 HydrophobicContact CB-CE2 3.94Å; L39-F136 HydrophobicContact CD2-CD2 4.02Å; L39-F136 HydrophobicContact CD2-CE2 4.04Å; L39-L140 HydrophobicContact CD1-CD2 4.06Å; L39-L140 HydrophobicContact CD2-CD2 4.03Å; L39-L140 HydrophobicContact CD2-CG 4.23Å; L39-M143 HydrophobicContact CD1-CE 3.86Å; L39-M143 HydrophobicContact CD1-SD 4.09Å |
| 40 | L | 98 | Very high | 96.9 | Very high | 36 Ų | 36 | 77.3 Ų | 77.3 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | -179.2 | -65.9 | -178.6 | 0 | 0 | 0 | 111.5 | I28 T32 Y36 E37 A42 L43 L44 | I28-L40 HydrophobicContact CG2-CB 3.72Å; I28-L40 HydrophobicContact CG2-CD1 3.85Å; I28-L40 HydrophobicContact CG2-CG 4.47Å; T32-L40 HydrophobicContact CG2-CD1 4.04Å; Y36-L40 HydrophobicContact CD1-CD1 3.99Å; Y36-L40 HydrophobicContact CD1-CG 4.5Å; Y36-L40 HydrophobicContact CD2-CG 4.43Å; Y36-L40 HydrophobicContact CE1-CD1 3.56Å; Y36-L40 HydrophobicContact CE1-CG 4.2Å; Y36-L40 HydrophobicContact CE2-CD1 4.35Å; Y36-L40 HydrophobicContact CE2-CD2 4.02Å; Y36-L40 HydrophobicContact CE2-CG 4.11Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 3.27Å; E37-L40 PolarHBondContact O-N 3.48Å; L40-A42 PolarHBondContact O-N 2.94Å; L40-L43 PolarHBondContact O-N 2.93Å; L40-L44 WeakPolarHBondContact O-CG 3.23Å; L40-L44 PolarHBondContact O-N 2.99Å |
| 41 | V | 97.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | I28 I29 E37 L43 L44 Q45 | I28-V41 HydrophobicContact CG2-CG2 4.25Å; I29-V41 HydrophobicContact CD1-CG2 4.19Å; I29-V41 HydrophobicContact CG1-CG2 3.74Å; E37-V41 WeakPolarHBondContact O-CG2 3.06Å; E37-V41 PolarHBondContact O-N 2.71Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.08Å; V41-L44 PolarHBondContact O-N 2.9Å; V41-Q45 WeakPolarHBondContact O-CG 3.44Å; V41-Q45 PolarHBondContact O-N 2.84Å |
| 42 | A | 97.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 67.6 Ų | 67.6 | 15% | 0.149 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q38 L39 L40 Q45 I98 T102 | Q38-A42 WeakPolarHBondContact O-CB 3.37Å; Q38-A42 PolarHBondContact O-N 3.09Å; L39-A42 PolarHBondContact O-N 3.36Å; L40-A42 PolarHBondContact O-N 2.94Å; A42-Q45 PolarHBondContact O-N 2.8Å; A42-I98 HydrophobicContact CB-CG2 3.97Å; A42-T102 HydrophobicContact CB-CG2 3.94Å |
| 43 | L | 95.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 174.3 | -71.6 | 173.1 | 0 | 0 | 0 | 111.9 | L39 L40 V41 Q45 A46 T102 M143 | L39-L43 HydrophobicContact CD1-CD1 4.16Å; L39-L43 HydrophobicContact CD1-CG 4.26Å; L39-L43 HydrophobicContact CG-CD1 4.2Å; L39-L43 WeakPolarHBondContact O-CG 3.2Å; L39-L43 PolarHBondContact O-N 2.94Å; L40-L43 PolarHBondContact O-N 2.93Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-L43 PolarHBondContact O-N 3.08Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.49Å; L43-A46 PolarHBondContact O-N 3.13Å; L43-T102 HydrophobicContact CD2-CG2 4.22Å; L43-T102 HydrophobicContact CG-CG2 4.4Å; L43-M143 HydrophobicContact CD2-CG 4.29Å; L43-M143 HydrophobicContact CD2-SD 3.75Å |
| 44 | L | 95.9 | Very high | 96.7 | Very high | 28 Ų | 28 | 68.1 Ų | 68.1 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.7 | -26.6 | 178.2 | -75 | 179.3 | 0 | 0 | 0 | 113.7 | L3 K4 L24 E25 I28 L40 V41 A46 | L3-L44 HydrophobicContact CD2-CD2 4.16Å; K4-L44 WeakPolarHBondContact CE-O 3.43Å; K4-L44 PolarHBondContact NZ-O 3.14Å; L24-L44 HydrophobicContact CD2-CD1 3.96Å; L24-L44 HydrophobicContact CD2-CD2 3.71Å; L24-L44 HydrophobicContact CG-CD1 3.83Å; L24-L44 HydrophobicContact CG-CD2 4.5Å; E25-L44 HydrophobicContact CG-CB 4.33Å; E25-L44 HydrophobicContact CG-CD1 4.03Å; I28-L44 HydrophobicContact CD1-CD1 3.3Å; I28-L44 HydrophobicContact CD1-CG 4.46Å; L40-L44 WeakPolarHBondContact O-CG 3.23Å; L40-L44 PolarHBondContact O-N 2.99Å; V41-L44 PolarHBondContact O-N 2.9Å; L44-A46 PolarHBondContact O-N 3.15Å |
| 45 | Q | 94.9 | Very high | 96.6 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -21.7 | 172.6 | -72.6 | 173.1 | 5.1 | 0 | 0 | 112.3 | V41 A42 L43 R47 | V41-Q45 WeakPolarHBondContact O-CG 3.44Å; V41-Q45 PolarHBondContact O-N 2.84Å; A42-Q45 PolarHBondContact O-N 2.8Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.49Å; Q45-R47 VanDerWaalsContact C-N 3.25Å; Q45-R47 HydrophobicContact CB-CG 4.12Å; Q45-R47 PolarHBondContact O-N 3.1Å |
| 46 | A | 94.2 | Very high | 96.6 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L43 L44 | L43-A46 PolarHBondContact O-N 3.13Å; L44-A46 PolarHBondContact O-N 3.15Å |
| 47 | R | 95.8 | Very high | 96.4 | Very high | 177 Ų | 177 | 70.2 Ų | 70.2 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | trans | -100.9 | 35.4 | -179.7 | -64 | 179 | -179.9 | 178.5 | -1 | 112.2 | Q45 | Q45-R47 VanDerWaalsContact C-N 3.25Å; Q45-R47 HydrophobicContact CB-CG 4.12Å; Q45-R47 PolarHBondContact O-N 3.1Å | ||
| 48 | R | 96.3 | Very high | 96.3 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 22% | 0.223 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -76 | 136.1 | 173 | -172.2 | 179.9 | -65.6 | -75.4 | -2.2 | 108.3 | E50 L101 K103 R104 | R48-E50 PolarHBondContact O-N 3.37Å; R48-L101 PolarHBondContact NH1-O 3Å; R48-L101 PolarHBondContact NH2-O 3.18Å; R48-K103 CarbonylContact C-O 3.57Å; R48-K103 WeakPolarHBondContact CA-O 3.02Å; R48-R104 WeakPolarHBondContact CD-O 3.23Å; R48-R104 WeakPolarHBondContact CG-O 3.4Å; R48-R104 PolarHBondContact NH1-O 2.96Å |
| 49 | D | 96.7 | Very high | 96.2 | Very high | 81 Ų | 81 | 67.6 Ų | 67.6 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 131.2 | 170.3 | -58.8 | -28.5 | 0 | 0 | 0 | 108.7 | K103 R104 S105 | D49-K103 WeakPolarHBondContact CB-O 3.38Å; D49-K103 PolarHBondContact N-O 2.94Å; D49-R104 IonicContact OD2-NH1 2.84Å; D49-S105 WeakPolarHBondContact O-CA 3.46Å; D49-S105 WeakPolarHBondContact O-CB 3.45Å |
| 50 | E | 95.1 | Very high | 96 | Very high | 183 Ų | 183 | 72.7 Ų | 72.7 | 86% | 0.855 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -103.1 | 135.7 | 177.6 | -66.7 | -174.2 | 175.6 | 0 | 0 | 109.9 | R48 | R48-E50 PolarHBondContact O-N 3.37Š|
| 51 | D | 95.5 | Very high | 96 | Very high | 30 Ų | 30 | 79.5 Ų | 79.5 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 127.2 | 176.7 | -64.7 | -61.8 | 0 | 0 | 0 | 109.3 | V56 L68 S105 K106 Y107 | D51-V56 HydrophobicContact CB-CG2 3.56Å; D51-L68 HydrophobicContact CB-CD2 3.87Å; D51-S105 VanDerWaalsContact CG-CB 3.42Å; D51-S105 VanDerWaalsContact OD1-CB 3.24Å; D51-S105 WeakPolarHBondContact OD1-CB 3.24Å; D51-S105 PolarHBondContact OD1-OG 3.12Å; D51-S105 WeakPolarHBondContact OD2-CB 3.41Å; D51-S105 PolarHBondContact OD2-OG 2.87Å; D51-K106 PolarHBondContact OD2-N 2.83Å; D51-Y107 HydrophobicContact CB-CD2 4.16Å; D51-Y107 VanDerWaalsContact OD2-CD2 3.32Å; D51-Y107 WeakPolarHBondContact OD2-CD2 3.44Å; D51-Y107 PolarHBondContact OD2-N 3.19Å |
| 52 | P | 96 | Very high | 95.9 | Very high | 62 Ų | 62 | 81.3 Ų | 81.3 | 40% | 0.403 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 130.3 | 179.1 | -25.9 | 35.2 | 0 | 0 | 0 | 111.8 | E54 L55 V56 | P52-E54 VanDerWaalsContact C-N 3.27Å; P52-E54 PolarHBondContact O-N 3.46Å; P52-E54 VanDerWaalsContact O-N 3.17Å; P52-L55 HydrophobicContact CB-CB 4.42Å; P52-L55 HydrophobicContact CB-CD1 4.24Å; P52-L55 HydrophobicContact CB-CG 4.21Å; P52-L55 HydrophobicContact CG-CD1 4.03Å; P52-L55 PolarHBondContact O-N 2.95Å; P52-V56 PolarHBondContact O-N 2.83Å |
| 53 | P | 96.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 91.8 Ų | 91.8 | 54% | 0.539 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -53.1 | -40.3 | -174.4 | -29.1 | 35.9 | 0 | 0 | 0 | 114.4 | L55 V56 E57 | P53-L55 VanDerWaalsContact C-N 3.31Å; P53-L55 PolarHBondContact O-N 3.47Å; P53-V56 WeakPolarHBondContact O-CB 3.18Å; P53-V56 PolarHBondContact O-N 3.43Å; P53-V56 VanDerWaalsContact O-N 3.14Å; P53-E57 WeakPolarHBondContact O-CG 3.18Å; P53-E57 PolarHBondContact O-N 3.34Å |
| 54 | E | 96.6 | Very high | 95.6 | Very high | 134 Ų | 134 | 90.7 Ų | 90.7 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -37.3 | -178.9 | -57 | 76.1 | -166.3 | 0 | 0 | 111.7 | P52 E58 | P52-E54 VanDerWaalsContact C-N 3.27Å; P52-E54 PolarHBondContact O-N 3.46Å; P52-E54 VanDerWaalsContact O-N 3.17Å; E54-E58 PolarHBondContact O-N 3.45Å |
| 55 | L | 96.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 90.6 Ų | 90.6 | 29% | 0.293 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.7 | -30.5 | 176 | -62.6 | -175.9 | 0 | 0 | 0 | 111.6 | P52 P53 A59 R67 L68 | P52-L55 HydrophobicContact CB-CB 4.42Å; P52-L55 HydrophobicContact CB-CD1 4.24Å; P52-L55 HydrophobicContact CB-CG 4.21Å; P52-L55 HydrophobicContact CG-CD1 4.03Å; P52-L55 PolarHBondContact O-N 2.95Å; P53-L55 VanDerWaalsContact C-N 3.31Å; P53-L55 PolarHBondContact O-N 3.47Å; L55-A59 VanDerWaalsContact O-CB 3.28Å; L55-A59 WeakPolarHBondContact O-CB 3.43Å; L55-A59 PolarHBondContact O-N 3.21Å; L55-R67 HydrophobicContact CD2-CB 4.49Å; L55-L68 HydrophobicContact CB-CD2 3.36Å; L55-L68 HydrophobicContact CB-CG 4.1Å; L55-L68 HydrophobicContact CD1-CD2 4.39Å |
| 56 | V | 96.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 90.7 Ų | 90.7 | 15% | 0.152 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 172.3 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | D51 P52 P53 E58 A59 I60 L68 Y107 | D51-V56 HydrophobicContact CB-CG2 3.56Å; P52-V56 PolarHBondContact O-N 2.83Å; P53-V56 WeakPolarHBondContact O-CB 3.18Å; P53-V56 PolarHBondContact O-N 3.43Å; P53-V56 VanDerWaalsContact O-N 3.14Å; V56-E58 VanDerWaalsContact C-N 3.33Å; V56-E58 PolarHBondContact O-N 3.02Å; V56-A59 PolarHBondContact O-N 2.91Å; V56-I60 HydrophobicContact CG1-CD1 3.89Å; V56-I60 VanDerWaalsContact O-CG1 3.3Å; V56-I60 WeakPolarHBondContact O-CG1 3.19Å; V56-I60 PolarHBondContact O-N 3.11Å; V56-L68 HydrophobicContact CG2-CD1 4.38Å; V56-L68 HydrophobicContact CG2-CD2 4.14Å; V56-Y107 HydrophobicContact CB-CE2 4.22Å; V56-Y107 HydrophobicContact CG1-CE2 3.63Å; V56-Y107 WeakPolarHBondContact CG1-OH 3.41Å; V56-Y107 HydrophobicContact CG2-CD2 4.06Å; V56-Y107 HydrophobicContact CG2-CE2 3.63Å |
| 57 | E | 95.8 | Very high | 95.5 | Very high | 140 Ų | 140 | 95 Ų | 95 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | 175.2 | -72.5 | -179.8 | -176.4 | 0 | 0 | 111.5 | P53 A59 I60 R61 | P53-E57 WeakPolarHBondContact O-CG 3.18Å; P53-E57 PolarHBondContact O-N 3.34Å; E57-A59 PolarHBondContact O-N 2.78Å; E57-I60 PolarHBondContact O-N 3.27Å; E57-R61 WeakPolarHBondContact O-CB 3.45Å; E57-R61 PolarHBondContact O-N 3.17Å |
| 58 | E | 95.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 87.8 Ų | 87.8 | 19% | 0.192 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.3 | -179.1 | 171.1 | -155.5 | 0 | 0 | 112 | E54 V56 I60 R61 T62 R67 | E54-E58 PolarHBondContact O-N 3.45Å; V56-E58 VanDerWaalsContact C-N 3.33Å; V56-E58 PolarHBondContact O-N 3.02Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.98Å; E58-R61 PolarHBondContact O-N 2.91Å; E58-R61 IonicContact OE1-NH2 3.15Å; E58-T62 HydrophobicContact CG-CG2 4.11Å; E58-T62 WeakPolarHBondContact O-CB 3.34Å; E58-T62 WeakPolarHBondContact O-CG2 3.49Å; E58-T62 PolarHBondContact O-N 3.11Å; E58-T62 PolarHBondContact O-OG1 2.71Å; E58-R67 IonicContact OE1-CZ 3.26Å; E58-R67 VanDerWaalsContact OE1-CZ 3.26Å; E58-R67 IonicContact OE1-NE 2.86Å; E58-R67 IonicContact OE1-NH1 2.68Å; E58-R67 PolarHBondContact OE1-NH1 2.89Å; E58-R67 IonicContact OE1-NH2 3.84Å; E58-R67 WeakPolarHBondContact OE2-CD 3.43Å; E58-R67 IonicContact OE2-CZ 3.64Å; E58-R67 IonicContact OE2-NE 3.87Å; E58-R67 IonicContact OE2-NH1 2.76Å; E58-R67 PolarHBondContact OE2-NH1 3.2Å |
| 59 | A | 96 | Very high | 95.3 | Very high | 8 Ų | 8 | 85.6 Ų | 85.6 | 7% | 0.066 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L55 V56 E57 R63 S64 L68 | L55-A59 VanDerWaalsContact O-CB 3.28Å; L55-A59 WeakPolarHBondContact O-CB 3.43Å; L55-A59 PolarHBondContact O-N 3.21Å; V56-A59 PolarHBondContact O-N 2.91Å; E57-A59 PolarHBondContact O-N 2.78Å; A59-R63 CarbonylContact O-C 3.56Å; A59-R63 WeakPolarHBondContact O-CA 3.42Å; A59-R63 PolarHBondContact O-N 2.75Å; A59-S64 VanDerWaalsContact CA-O 3.23Å; A59-S64 WeakPolarHBondContact CA-O 3.47Å; A59-S64 WeakPolarHBondContact CB-O 3.36Å; A59-S64 PolarHBondContact O-N 2.72Å; A59-L68 HydrophobicContact CB-CD1 3.39Å; A59-L68 HydrophobicContact CB-CG 4.21Å |
| 60 | I | 94.9 | Very high | 95.3 | Very high | 108 Ų | 108 | 84.8 Ų | 84.8 | 55% | 0.554 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.5 | -46.5 | 174.1 | -68.6 | 165.3 | 0 | 0 | 0 | 110.2 | V56 E57 E58 | V56-I60 HydrophobicContact CG1-CD1 3.89Å; V56-I60 VanDerWaalsContact O-CG1 3.3Å; V56-I60 WeakPolarHBondContact O-CG1 3.19Å; V56-I60 PolarHBondContact O-N 3.11Å; E57-I60 PolarHBondContact O-N 3.27Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.98Å |
| 61 | R | 96 | Very high | 95.4 | Very high | 179 Ų | 179 | 82 Ų | 82 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | -179.7 | -175 | -172.4 | 62.1 | 74.4 | 0.9 | 112.3 | E57 E58 | E57-R61 WeakPolarHBondContact O-CB 3.45Å; E57-R61 PolarHBondContact O-N 3.17Å; E58-R61 PolarHBondContact O-N 2.91Å; E58-R61 IonicContact OE1-NH2 3.15Å |
| 62 | T | 95.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 84.7 Ų | 84.7 | 36% | 0.356 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -90.8 | -10.6 | -176.8 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | E58 S64 | E58-T62 HydrophobicContact CG-CG2 4.11Å; E58-T62 WeakPolarHBondContact O-CB 3.34Å; E58-T62 WeakPolarHBondContact O-CG2 3.49Å; E58-T62 PolarHBondContact O-N 3.11Å; E58-T62 PolarHBondContact O-OG1 2.71Å; T62-S64 PolarHBondContact O-N 3.44Å; T62-S64 PolarHBondContact OG1-N 2.73Å |
| 63 | R | 93.5 | Very high | 95.6 | Very high | 239 Ų | 239 | 84.5 Ų | 84.5 | 90% | 0.902 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.5 | -168.8 | -56.1 | -178.7 | 178.6 | -178.6 | -1 | 112.3 | A59 | A59-R63 CarbonylContact O-C 3.56Å; A59-R63 WeakPolarHBondContact O-CA 3.42Å; A59-R63 PolarHBondContact O-N 2.75Å |
| 64 | S | 94.5 | Very high | 95.7 | Very high | 48 Ų | 48 | 80.6 Ų | 80.6 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | trans | -134.9 | 126.3 | -179.6 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | A59 T62 S66 | A59-S64 VanDerWaalsContact CA-O 3.23Å; A59-S64 WeakPolarHBondContact CA-O 3.47Å; A59-S64 WeakPolarHBondContact CB-O 3.36Å; A59-S64 PolarHBondContact O-N 2.72Å; T62-S64 PolarHBondContact O-N 3.44Å; T62-S64 PolarHBondContact OG1-N 2.73Å; S64-S66 VanDerWaalsContact C-N 3.32Å; S64-S66 PolarHBondContact OG-N 3.43Å; S64-S66 PolarHBondContact OG-OG 2.81Å | ||
| 65 | T | 93.8 | Very high | 95.8 | Very high | 27 Ų | 27 | 77 Ų | 77 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | trans | -89.1 | 4.1 | 176 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | R67 L68 V69 Y107 E111 | T65-R67 PolarHBondContact O-N 3.04Å; T65-R67 VanDerWaalsContact O-N 3.08Å; T65-L68 WeakPolarHBondContact O-CA 3.44Å; T65-L68 WeakPolarHBondContact O-CB 3.47Å; T65-L68 PolarHBondContact O-N 2.84Å; T65-V69 PolarHBondContact O-N 3.19Å; T65-Y107 HydrophobicContact CG2-CD1 4.05Å; T65-E111 WeakPolarHBondContact CB-OE1 3.29Å; T65-E111 WeakPolarHBondContact CG2-OE1 3.46Å; T65-E111 PolarHBondContact OG1-OE1 3.39Å | ||
| 66 | S | 93.4 | Very high | 95.9 | Very high | 88 Ų | 88 | 79.7 Ų | 79.7 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.7 | -171.6 | 56.4 | 0 | 0 | 0 | 0 | 115.2 | S64 | S64-S66 VanDerWaalsContact C-N 3.32Å; S64-S66 PolarHBondContact OG-N 3.43Å; S64-S66 PolarHBondContact OG-OG 2.81Å |
| 67 | R | 93.8 | Very high | 96 | Very high | 169 Ų | 169 | 78.6 Ų | 78.6 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -18.6 | 174.2 | -69 | -171.6 | -179.9 | 172.5 | 6.2 | 114.2 | L55 E58 T65 | L55-R67 HydrophobicContact CD2-CB 4.49Å; E58-R67 IonicContact OE1-CZ 3.26Å; E58-R67 VanDerWaalsContact OE1-CZ 3.26Å; E58-R67 IonicContact OE1-NE 2.86Å; E58-R67 IonicContact OE1-NH1 2.68Å; E58-R67 PolarHBondContact OE1-NH1 2.89Å; E58-R67 IonicContact OE1-NH2 3.84Å; E58-R67 WeakPolarHBondContact OE2-CD 3.43Å; E58-R67 IonicContact OE2-CZ 3.64Å; E58-R67 IonicContact OE2-NE 3.87Å; E58-R67 IonicContact OE2-NH1 2.76Å; E58-R67 PolarHBondContact OE2-NH1 3.2Å; T65-R67 PolarHBondContact O-N 3.04Å; T65-R67 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 94 | Very high | 96.2 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -35.9 | 176.2 | -75.4 | 173 | 0 | 0 | 0 | 111.5 | D51 L55 V56 A59 T65 Y107 | D51-L68 HydrophobicContact CB-CD2 3.87Å; L55-L68 HydrophobicContact CB-CD2 3.36Å; L55-L68 HydrophobicContact CB-CG 4.1Å; L55-L68 HydrophobicContact CD1-CD2 4.39Å; V56-L68 HydrophobicContact CG2-CD1 4.38Å; V56-L68 HydrophobicContact CG2-CD2 4.14Å; A59-L68 HydrophobicContact CB-CD1 3.39Å; A59-L68 HydrophobicContact CB-CG 4.21Å; T65-L68 WeakPolarHBondContact O-CA 3.44Å; T65-L68 WeakPolarHBondContact O-CB 3.47Å; T65-L68 PolarHBondContact O-N 2.84Å; L68-Y107 HydrophobicContact CD1-CD1 4.2Å; L68-Y107 HydrophobicContact CD1-CD2 3.9Å; L68-Y107 HydrophobicContact CD1-CE2 4.46Å; L68-Y107 HydrophobicContact CD1-CG 3.77Å |
| 69 | V | 95.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 73.9 Ų | 73.9 | 7% | 0.073 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -128.1 | 130.4 | -162.5 | 178.6 | 0 | 0 | 0 | 0 | 111 | T65 R71 V74 H108 E111 | T65-V69 PolarHBondContact O-N 3.19Å; V69-R71 PolarHBondContact O-N 3.38Å; V69-V74 HydrophobicContact CG1-CG2 3.16Å; V69-H108 HydrophobicContact CG1-CB 4.32Å; V69-H108 HydrophobicContact CG2-CB 4.09Å; V69-E111 HydrophobicContact CB-CG 4.39Å; V69-E111 HydrophobicContact CG1-CB 4.39Å; V69-E111 HydrophobicContact CG1-CG 4.15Å; V69-E111 HydrophobicContact CG2-CG 4.32Å |
| 70 | S | 96.2 | Very high | 96.4 | Very high | 65 Ų | 65 | 76.3 Ų | 76.3 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | trans | -76.2 | 116.1 | 171.4 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | S72 Q73 V74 | S70-S72 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 3.32Å; S70-S72 PolarHBondContact OG-OG 2.92Å; S70-Q73 PolarHBondContact O-N 3.37Å; S70-Q73 VanDerWaalsContact O-N 3.12Å; S70-V74 PolarHBondContact O-N 3.05Å; S70-V74 VanDerWaalsContact O-N 3.08Å | ||
| 71 | R | 96.5 | Very high | 96.6 | Very high | 124 Ų | 124 | 71.2 Ų | 71.2 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | -178.6 | -177.7 | 61.9 | -163.5 | -168.6 | 2.6 | 113 | V69 Q73 V74 D75 | V69-R71 PolarHBondContact O-N 3.38Å; R71-Q73 VanDerWaalsContact C-N 3.26Å; R71-Q73 PolarHBondContact O-N 3.24Å; R71-V74 PolarHBondContact O-N 3.17Å; R71-D75 IonicContact CZ-OD1 3.32Å; R71-D75 VanDerWaalsContact CZ-OD1 3.29Å; R71-D75 IonicContact NE-OD1 3.88Å; R71-D75 PolarHBondContact NE-OD1 2.94Å; R71-D75 VanDerWaalsContact NE-OD1 3.12Å; R71-D75 IonicContact NE-OD2 3.74Å; R71-D75 PolarHBondContact NE-OD2 3.49Å; R71-D75 IonicContact NH2-OD1 3.12Å; R71-D75 PolarHBondContact NH2-OD1 3.08Å; R71-D75 PolarHBondContact O-N 2.78Å |
| 72 | S | 98 | Very high | 96.7 | Very high | 86 Ų | 86 | 64.7 Ų | 64.7 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.9 | -33.5 | 178.6 | 58 | 0 | 0 | 0 | 0 | 112.5 | S70 K76 | S70-S72 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 3.32Å; S70-S72 PolarHBondContact OG-OG 2.92Å; S72-K76 WeakPolarHBondContact O-CB 3.34Å; S72-K76 PolarHBondContact O-N 3.03Å; S72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | Q | 98.2 | Very high | 96.9 | Very high | 58 Ų | 58 | 68.1 Ų | 68.1 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74 | -36.5 | 176.5 | -171 | 60.3 | 60.2 | 0 | 0 | 111.9 | S70 R71 D77 | S70-Q73 PolarHBondContact O-N 3.37Å; S70-Q73 VanDerWaalsContact O-N 3.12Å; R71-Q73 VanDerWaalsContact C-N 3.26Å; R71-Q73 PolarHBondContact O-N 3.24Å; Q73-D77 PolarHBondContact NE2-OD1 3.14Å; Q73-D77 WeakPolarHBondContact O-CB 3.18Å; Q73-D77 PolarHBondContact O-N 3.13Å |
| 74 | V | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -49 | 172.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V69 S70 R71 K76 D77 V78 E111 I112 L115 | V69-V74 HydrophobicContact CG1-CG2 3.16Å; S70-V74 PolarHBondContact O-N 3.05Å; S70-V74 VanDerWaalsContact O-N 3.08Å; R71-V74 PolarHBondContact O-N 3.17Å; V74-K76 PolarHBondContact O-N 3Å; V74-D77 PolarHBondContact O-N 2.91Å; V74-V78 HydrophobicContact CG1-CG2 4.28Å; V74-V78 WeakPolarHBondContact O-CB 3.49Å; V74-V78 WeakPolarHBondContact O-CG2 3.46Å; V74-V78 PolarHBondContact O-N 3.44Å; V74-E111 HydrophobicContact CG1-CB 3.94Å; V74-E111 HydrophobicContact CG2-CB 3.83Å; V74-I112 HydrophobicContact CG1-CG1 4.21Å; V74-L115 HydrophobicContact CG1-CB 4.5Å; V74-L115 HydrophobicContact CG1-CD2 3.85Å |
| 75 | D | 98.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | -179.8 | -68.9 | -41.8 | 0 | 0 | 0 | 110.8 | R71 E79 L115 | R71-D75 IonicContact CZ-OD1 3.32Å; R71-D75 VanDerWaalsContact CZ-OD1 3.29Å; R71-D75 IonicContact NE-OD1 3.88Å; R71-D75 PolarHBondContact NE-OD1 2.94Å; R71-D75 VanDerWaalsContact NE-OD1 3.12Å; R71-D75 IonicContact NE-OD2 3.74Å; R71-D75 PolarHBondContact NE-OD2 3.49Å; R71-D75 IonicContact NH2-OD1 3.12Å; R71-D75 PolarHBondContact NH2-OD1 3.08Å; R71-D75 PolarHBondContact O-N 2.78Å; D75-E79 WeakPolarHBondContact O-CB 3.45Å; D75-E79 PolarHBondContact O-N 2.77Å; D75-E79 VanDerWaalsContact O-N 3.08Å; D75-L115 WeakPolarHBondContact OD1-CD2 3.48Å |
| 76 | K | 98.7 | Very high | 97.4 | Very high | 112 Ų | 112 | 56.6 Ų | 56.6 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -49.9 | 174.5 | -179.7 | 175.8 | 178.8 | 174.8 | 0 | 112.7 | S72 V74 V78 E79 D80 | S72-K76 WeakPolarHBondContact O-CB 3.34Å; S72-K76 PolarHBondContact O-N 3.03Å; S72-K76 VanDerWaalsContact O-N 3.13Å; V74-K76 PolarHBondContact O-N 3Å; K76-V78 VanDerWaalsContact C-N 3.28Å; K76-V78 PolarHBondContact O-N 3.4Å; K76-E79 PolarHBondContact O-N 3Å; K76-D80 WeakPolarHBondContact O-CB 3.22Å; K76-D80 PolarHBondContact O-N 3.43Å |
| 77 | D | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -34.8 | -178.2 | -69.2 | -20.8 | 0 | 0 | 0 | 111.5 | Q73 V74 D80 L81 I100 R104 H108 I112 | Q73-D77 PolarHBondContact NE2-OD1 3.14Å; Q73-D77 WeakPolarHBondContact O-CB 3.18Å; Q73-D77 PolarHBondContact O-N 3.13Å; V74-D77 PolarHBondContact O-N 2.91Å; D77-D80 PolarHBondContact O-N 2.95Å; D77-L81 WeakPolarHBondContact O-CB 3.21Å; D77-L81 VanDerWaalsContact O-CG 3.29Å; D77-L81 WeakPolarHBondContact O-CG 3.38Å; D77-L81 PolarHBondContact O-N 3.04Å; D77-I100 HydrophobicContact CB-CD1 4.16Å; D77-I100 HydrophobicContact CB-CG2 4.17Å; D77-R104 IonicContact OD1-CZ 3.96Å; D77-R104 IonicContact OD1-NE 2.9Å; D77-R104 IonicContact OD1-NH2 3.63Å; D77-R104 PolarHBondContact OD1-NH2 3.28Å; D77-R104 IonicContact OD2-CZ 3.73Å; D77-R104 IonicContact OD2-NE 3.08Å; D77-R104 PolarHBondContact OD2-NE 2.75Å; D77-R104 IonicContact OD2-NH2 2.79Å; D77-R104 PolarHBondContact OD2-NH2 2.9Å; D77-H108 IonicContact OD2-CD2 2.71Å; D77-H108 IonicContact OD2-CE1 2.72Å; D77-H108 IonicContact OD2-NE2 3.04Å; D77-H108 PolarHBondContact OD2-NE2 3.33Å; D77-I112 HydrophobicContact CB-CD1 3.62Å; D77-I112 HydrophobicContact CB-CG1 4.21Å |
| 78 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 173.8 | 163.6 | 0 | 0 | 0 | 0 | 111.3 | V74 K76 Y82 I112 L115 Y116 K119 Y120 | V74-V78 HydrophobicContact CG1-CG2 4.28Å; V74-V78 WeakPolarHBondContact O-CB 3.49Å; V74-V78 WeakPolarHBondContact O-CG2 3.46Å; V74-V78 PolarHBondContact O-N 3.44Å; K76-V78 VanDerWaalsContact C-N 3.28Å; K76-V78 PolarHBondContact O-N 3.4Å; V78-Y82 WeakPolarHBondContact O-CB 3.48Å; V78-Y82 PolarHBondContact O-N 3.1Å; V78-I112 HydrophobicContact CG2-CB 4.11Å; V78-I112 HydrophobicContact CG2-CG1 4.23Å; V78-I112 HydrophobicContact CG2-CG2 3.81Å; V78-L115 HydrophobicContact CB-CD2 4.24Å; V78-L115 HydrophobicContact CG1-CD2 4.35Å; V78-L115 HydrophobicContact CG1-CG 4.3Å; V78-L115 HydrophobicContact CG2-CB 4.13Å; V78-L115 HydrophobicContact CG2-CD2 3.94Å; V78-L115 HydrophobicContact CG2-CG 4.18Å; V78-Y116 HydrophobicContact CG1-CD2 4.17Å; V78-K119 HydrophobicContact CG1-CD 4.42Å; V78-Y120 HydrophobicContact CG1-CD2 4.35Å; V78-Y120 HydrophobicContact CG1-CE2 3.66Å |
| 79 | E | 98.7 | Very high | 97.9 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 174.8 | -176.2 | 167 | -134.9 | 0 | 0 | 111.7 | D75 K76 L81 Y82 Y83 | D75-E79 WeakPolarHBondContact O-CB 3.45Å; D75-E79 PolarHBondContact O-N 2.77Å; D75-E79 VanDerWaalsContact O-N 3.08Å; K76-E79 PolarHBondContact O-N 3Å; E79-L81 VanDerWaalsContact C-N 3.34Å; E79-L81 PolarHBondContact O-N 3.4Å; E79-Y82 WeakPolarHBondContact O-CB 3.23Å; E79-Y82 PolarHBondContact O-N 3.2Å; E79-Y82 VanDerWaalsContact O-N 3.13Å; E79-Y83 HydrophobicContact CG-CD2 3.61Å; E79-Y83 HydrophobicContact CG-CE2 3.51Å; E79-Y83 VanDerWaalsContact O-CD2 3.26Å; E79-Y83 WeakPolarHBondContact O-CD2 3.45Å; E79-Y83 PolarHBondContact O-N 3.35Å |
| 80 | D | 98.8 | Very high | 97.9 | Very high | 59 Ų | 59 | 62 Ų | 62 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.9 | -46 | 176.8 | -75.1 | -13.6 | 0 | 0 | 0 | 110.9 | K76 D77 Y82 Y83 A84 T96 I100 | K76-D80 WeakPolarHBondContact O-CB 3.22Å; K76-D80 PolarHBondContact O-N 3.43Å; D77-D80 PolarHBondContact O-N 2.95Å; D80-Y82 PolarHBondContact O-N 3.5Å; D80-Y83 PolarHBondContact O-N 2.9Å; D80-A84 WeakPolarHBondContact O-CB 3.21Å; D80-A84 PolarHBondContact O-N 3.07Å; D80-T96 HydrophobicContact CB-CG2 4.14Å; D80-I100 HydrophobicContact CB-CD1 3.91Å |
| 81 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.2 | -73.9 | 173.9 | 0 | 0 | 0 | 112.8 | D77 E79 A84 G85 F97 I100 I112 Y116 I124 | D77-L81 WeakPolarHBondContact O-CB 3.21Å; D77-L81 VanDerWaalsContact O-CG 3.29Å; D77-L81 WeakPolarHBondContact O-CG 3.38Å; D77-L81 PolarHBondContact O-N 3.04Å; E79-L81 VanDerWaalsContact C-N 3.34Å; E79-L81 PolarHBondContact O-N 3.4Å; L81-A84 PolarHBondContact O-N 3.32Å; L81-G85 PolarHBondContact O-N 2.93Å; L81-F97 HydrophobicContact CD2-CD1 3.84Å; L81-F97 HydrophobicContact CD2-CD2 3.94Å; L81-F97 HydrophobicContact CD2-CE1 3.89Å; L81-F97 HydrophobicContact CD2-CE2 4.01Å; L81-F97 HydrophobicContact CD2-CG 3.87Å; L81-F97 HydrophobicContact CD2-CZ 3.99Å; L81-I100 HydrophobicContact CD1-CG2 4.22Å; L81-I100 HydrophobicContact CD2-CB 4.46Å; L81-I100 HydrophobicContact CD2-CD1 4.03Å; L81-I100 HydrophobicContact CG-CD1 3.85Å; L81-I100 HydrophobicContact CG-CG2 4.48Å; L81-I112 HydrophobicContact CD1-CG2 3.54Å; L81-Y116 HydrophobicContact CB-CD2 4.43Å; L81-Y116 HydrophobicContact CB-CE2 4.22Å; L81-I124 HydrophobicContact CD1-CD1 4.46Å |
| 82 | Y | 98.7 | Very high | 98 | Very high | 43 Ų | 43 | 61.5 Ų | 61.5 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 177.6 | 171.1 | -107.2 | 0 | 0 | 0 | 111.7 | V78 E79 D80 G85 E86 K87 Y120 | V78-Y82 WeakPolarHBondContact O-CB 3.48Å; V78-Y82 PolarHBondContact O-N 3.1Å; E79-Y82 WeakPolarHBondContact O-CB 3.23Å; E79-Y82 PolarHBondContact O-N 3.2Å; E79-Y82 VanDerWaalsContact O-N 3.13Å; D80-Y82 PolarHBondContact O-N 3.5Å; Y82-G85 CarbonylContact O-C 3.11Å; Y82-G85 PolarHBondContact O-N 3.48Å; Y82-E86 HydrophobicContact CD2-CB 3.96Å; Y82-E86 HydrophobicContact CE2-CB 4.05Å; Y82-E86 HydrophobicContact CE2-CG 4.23Å; Y82-E86 PolarHBondContact O-N 3.43Å; Y82-K87 HydrophobicContact CD1-CB 4.02Å; Y82-K87 HydrophobicContact CE1-CB 3.66Å; Y82-K87 HydrophobicContact CE1-CD 4.29Å; Y82-K87 HydrophobicContact CE1-CG 3.96Å; Y82-K87 HydrophobicContact CE2-CB 4.2Å; Y82-K87 HydrophobicContact CG-CB 4.47Å; Y82-K87 WeakPolarHBondContact O-CB 3.34Å; Y82-K87 PolarHBondContact O-N 3.25Å; Y82-Y120 HydrophobicContact CD1-CD1 4.49Å; Y82-Y120 AromaticContact CD1-CE1 3.71Å; Y82-Y120 HydrophobicContact CD1-CE1 3.71Å; Y82-Y120 HydrophobicContact CD1-CE2 4.47Å; Y82-Y120 AromaticContact CD1-CZ 3.69Å; Y82-Y120 AromaticContact CD2-CD1 3.49Å; Y82-Y120 HydrophobicContact CD2-CD1 3.49Å; Y82-Y120 VanDerWaalsContact CD2-CD1 3.49Å; Y82-Y120 AromaticContact CD2-CD2 3.93Å; Y82-Y120 HydrophobicContact CD2-CD2 3.93Å; Y82-Y120 AromaticContact CD2-CE1 3.52Å; Y82-Y120 HydrophobicContact CD2-CE1 3.52Å; Y82-Y120 AromaticContact CD2-CE2 3.96Å; Y82-Y120 HydrophobicContact CD2-CE2 3.96Å; Y82-Y120 AromaticContact CD2-CG 3.7Å; Y82-Y120 HydrophobicContact CD2-CG 3.7Å; Y82-Y120 AromaticContact CD2-CZ 3.76Å; Y82-Y120 HydrophobicContact CE1-CD1 4.47Å; Y82-Y120 AromaticContact CE1-CE1 3.81Å; Y82-Y120 HydrophobicContact CE1-CE1 3.81Å; Y82-Y120 AromaticContact CE2-CD1 3.5Å; Y82-Y120 HydrophobicContact CE2-CD1 3.5Å; Y82-Y120 AromaticContact CE2-CE1 3.67Å; Y82-Y120 HydrophobicContact CE2-CE1 3.67Å; Y82-Y120 HydrophobicContact CE2-CG 4.07Å; Y82-Y120 HydrophobicContact CG-CD1 4.01Å; Y82-Y120 HydrophobicContact CG-CD2 4.19Å; Y82-Y120 AromaticContact CG-CE1 3.54Å; Y82-Y120 HydrophobicContact CG-CE1 3.54Å; Y82-Y120 AromaticContact CG-CE2 3.74Å; Y82-Y120 HydrophobicContact CG-CE2 3.74Å; Y82-Y120 HydrophobicContact CG-CG 4.32Å; Y82-Y120 AromaticContact CG-CZ 3.38Å; Y82-Y120 AromaticContact CZ-CE1 3.79Å |
| 83 | Y | 98.6 | Very high | 98 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 51% | 0.51 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.5 | -31 | 176.1 | -78.1 | -73.5 | 0 | 0 | 0 | 113.2 | E79 D80 K87 R88 | E79-Y83 HydrophobicContact CG-CD2 3.61Å; E79-Y83 HydrophobicContact CG-CE2 3.51Å; E79-Y83 VanDerWaalsContact O-CD2 3.26Å; E79-Y83 WeakPolarHBondContact O-CD2 3.45Å; E79-Y83 PolarHBondContact O-N 3.35Å; D80-Y83 PolarHBondContact O-N 2.9Å; Y83-K87 HydrophobicContact CD1-CB 4.22Å; Y83-K87 HydrophobicContact CD1-CG 3.78Å; Y83-K87 HydrophobicContact CE1-CG 3.91Å; Y83-R88 WeakPolarHBondContact O-CB 3.24Å |
| 84 | A | 98.5 | Very high | 98 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.6 | -29.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D80 L81 R88 G92 D93 T96 F97 | D80-A84 WeakPolarHBondContact O-CB 3.21Å; D80-A84 PolarHBondContact O-N 3.07Å; L81-A84 PolarHBondContact O-N 3.32Å; A84-R88 WeakPolarHBondContact O-CD 3.47Å; A84-G92 CarbonylContact O-C 3.53Å; A84-G92 VanDerWaalsContact O-CA 3.3Å; A84-G92 WeakPolarHBondContact O-CA 3.23Å; A84-D93 HydrophobicContact CB-CB 3.88Å; A84-D93 PolarHBondContact O-N 3.48Å; A84-T96 HydrophobicContact CB-CG2 3.66Å; A84-F97 HydrophobicContact CB-CD2 4Å; A84-F97 HydrophobicContact CB-CE2 3.81Å |
| 85 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -95.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L81 Y82 K87 R88 K131 | L81-G85 PolarHBondContact O-N 2.93Å; Y82-G85 CarbonylContact O-C 3.11Å; Y82-G85 PolarHBondContact O-N 3.48Å; G85-K87 PolarHBondContact O-N 3.01Å; G85-R88 WeakPolarHBondContact O-CB 3.47Å; G85-R88 PolarHBondContact O-N 3.14Å; G85-K131 WeakPolarHBondContact O-CD 3.45Å; G85-K131 WeakPolarHBondContact O-CE 3.44Å; G85-K131 PolarHBondContact O-NZ 2.92Å |
| 86 | E | 96.9 | Very high | 98 | Very high | 68 Ų | 68 | 60.8 Ų | 60.8 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -50.1 | -167.6 | -171.3 | 168.7 | 129.2 | 0 | 0 | 113.3 | Y82 R88 N122 V127 K131 | Y82-E86 HydrophobicContact CD2-CB 3.96Å; Y82-E86 HydrophobicContact CE2-CB 4.05Å; Y82-E86 HydrophobicContact CE2-CG 4.23Å; Y82-E86 PolarHBondContact O-N 3.43Å; E86-R88 VanDerWaalsContact C-N 3.26Å; E86-R88 PolarHBondContact O-N 2.96Å; E86-N122 WeakPolarHBondContact OE2-CB 3.2Å; E86-N122 PolarHBondContact OE2-ND2 2.71Å; E86-V127 HydrophobicContact CB-CG2 4.46Å; E86-K131 PolarHBondContact O-NZ 3.29Å; E86-K131 VanDerWaalsContact O-NZ 3.12Å |
| 87 | K | 97.6 | Very high | 98 | Very high | 127 Ų | 127 | 55.5 Ų | 55.5 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.2 | -177.4 | -174.1 | 56.8 | 173.9 | -178.6 | 0 | 113.1 | Y82 Y83 G85 | Y82-K87 HydrophobicContact CD1-CB 4.02Å; Y82-K87 HydrophobicContact CE1-CB 3.66Å; Y82-K87 HydrophobicContact CE1-CD 4.29Å; Y82-K87 HydrophobicContact CE1-CG 3.96Å; Y82-K87 HydrophobicContact CE2-CB 4.2Å; Y82-K87 HydrophobicContact CG-CB 4.47Å; Y82-K87 WeakPolarHBondContact O-CB 3.34Å; Y82-K87 PolarHBondContact O-N 3.25Å; Y83-K87 HydrophobicContact CD1-CB 4.22Å; Y83-K87 HydrophobicContact CD1-CG 3.78Å; Y83-K87 HydrophobicContact CE1-CG 3.91Å; G85-K87 PolarHBondContact O-N 3.01Å |
| 88 | R | 97.4 | Very high | 98 | Very high | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -70.4 | 132.1 | 179.6 | -165.3 | 173.8 | 175.4 | 111.5 | -1.1 | 110.8 | Y83 A84 G85 E86 K91 K131 | Y83-R88 WeakPolarHBondContact O-CB 3.24Å; A84-R88 WeakPolarHBondContact O-CD 3.47Å; G85-R88 WeakPolarHBondContact O-CB 3.47Å; G85-R88 PolarHBondContact O-N 3.14Å; E86-R88 VanDerWaalsContact C-N 3.26Å; E86-R88 PolarHBondContact O-N 2.96Å; R88-K91 WeakPolarHBondContact CD-O 3.48Å; R88-K91 PolarHBondContact NE-O 3.25Å; R88-K131 PolarHBondContact O-NZ 2.71Å |
| 89 | A | 95.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 62 Ų | 62 | 80% | 0.802 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -69.9 | 139.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 90 | G | 95.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 66% | 0.66 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 72.9 | -139.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K131 | G90-K131 WeakPolarHBondContact O-CD 3.25Š|
| 91 | K | 96.5 | Very high | 97.9 | Very high | 168 Ų | 168 | 55.5 Ų | 55.5 | 73% | 0.73 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -68.3 | 146.6 | -178.8 | -66.1 | -176 | 178.9 | -178.2 | 0 | 111 | R88 | R88-K91 WeakPolarHBondContact CD-O 3.48Å; R88-K91 PolarHBondContact NE-O 3.25Å |
| 92 | G | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 56 Ų | 56 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | trans | -66.6 | 161.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A84 K131 F132 | A84-G92 CarbonylContact O-C 3.53Å; A84-G92 VanDerWaalsContact O-CA 3.3Å; A84-G92 WeakPolarHBondContact O-CA 3.23Å; G92-K131 PolarHBondContact N-O 3.32Å; G92-K131 VanDerWaalsContact N-O 3.11Å; G92-F132 WeakPolarHBondContact O-CE1 3.45Å | ||
| 93 | D | 98.5 | Very high | 97.8 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | trans | -83.7 | 109 | 170.7 | 173.4 | 13.4 | 0 | 0 | 0 | 110.5 | A84 D95 T96 F97 | A84-D93 HydrophobicContact CB-CB 3.88Å; A84-D93 PolarHBondContact O-N 3.48Å; D93-D95 PolarHBondContact OD1-N 3.44Å; D93-D95 VanDerWaalsContact OD1-N 3.07Å; D93-T96 WeakPolarHBondContact OD2-CB 3.41Å; D93-T96 PolarHBondContact OD2-OG1 3.36Å; D93-F97 VanDerWaalsContact O-CD2 3.3Å; D93-F97 WeakPolarHBondContact O-CD2 3.18Å | ||
| 94 | S | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 55 Ų | 55 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | -178.3 | 49 | 0 | 0 | 0 | 0 | 112.9 | P35 T96 F97 I98 | P35-S94 WeakPolarHBondContact CB-OG 3.47Å; S94-T96 PolarHBondContact O-N 3.03Å; S94-F97 PolarHBondContact O-N 2.93Å; S94-I98 WeakPolarHBondContact O-CB 3.4Å; S94-I98 VanDerWaalsContact O-CG1 3.24Å; S94-I98 WeakPolarHBondContact O-CG1 3.28Å; S94-I98 PolarHBondContact O-N 3.06Å |
| 95 | D | 98.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | -169.6 | -67.6 | -0.8 | 0 | 0 | 0 | 110.1 | D93 K99 | D93-D95 PolarHBondContact OD1-N 3.44Å; D93-D95 VanDerWaalsContact OD1-N 3.07Å; D95-K99 WeakPolarHBondContact O-CB 3.14Å; D95-K99 PolarHBondContact O-N 3.05Å |
| 96 | T | 98.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 174.6 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | D80 A84 D93 S94 K99 I100 | D80-T96 HydrophobicContact CB-CG2 4.14Å; A84-T96 HydrophobicContact CB-CG2 3.66Å; D93-T96 WeakPolarHBondContact OD2-CB 3.41Å; D93-T96 PolarHBondContact OD2-OG1 3.36Å; S94-T96 PolarHBondContact O-N 3.03Å; T96-K99 PolarHBondContact O-N 3.5Å; T96-I100 HydrophobicContact CG2-CD1 3.84Å; T96-I100 WeakPolarHBondContact O-CG1 3.42Å; T96-I100 PolarHBondContact O-N 3.35Å |
| 97 | F | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.9 | -88.5 | -102.6 | 0 | 0 | 0 | 112.1 | L81 A84 D93 S94 L101 I124 V127 I128 F132 L140 | L81-F97 HydrophobicContact CD2-CD1 3.84Å; L81-F97 HydrophobicContact CD2-CD2 3.94Å; L81-F97 HydrophobicContact CD2-CE1 3.89Å; L81-F97 HydrophobicContact CD2-CE2 4.01Å; L81-F97 HydrophobicContact CD2-CG 3.87Å; L81-F97 HydrophobicContact CD2-CZ 3.99Å; A84-F97 HydrophobicContact CB-CD2 4Å; A84-F97 HydrophobicContact CB-CE2 3.81Å; D93-F97 VanDerWaalsContact O-CD2 3.3Å; D93-F97 WeakPolarHBondContact O-CD2 3.18Å; S94-F97 PolarHBondContact O-N 2.93Å; F97-L101 HydrophobicContact CD1-CD1 4Å; F97-L101 VanDerWaalsContact O-CB 3.26Å; F97-L101 WeakPolarHBondContact O-CB 3.25Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.32Å; F97-I124 HydrophobicContact CE1-CG2 4.33Å; F97-V127 HydrophobicContact CZ-CG1 4.09Å; F97-I128 HydrophobicContact CD1-CD1 4.45Å; F97-I128 HydrophobicContact CD1-CG1 3.99Å; F97-I128 HydrophobicContact CE1-CD1 4.35Å; F97-I128 HydrophobicContact CE1-CG1 3.68Å; F97-F132 HydrophobicContact CB-CZ 4.47Å; F97-F132 HydrophobicContact CD1-CE2 4.07Å; F97-F132 AromaticContact CD2-CE2 3.95Å; F97-F132 HydrophobicContact CD2-CE2 3.95Å; F97-F132 AromaticContact CD2-CZ 3.77Å; F97-F132 HydrophobicContact CD2-CZ 3.77Å; F97-F132 HydrophobicContact CE1-CE2 4.2Å; F97-F132 HydrophobicContact CE2-CE2 4.07Å; F97-F132 HydrophobicContact CE2-CZ 4.13Å; F97-F132 AromaticContact CG-CE2 3.94Å; F97-F132 HydrophobicContact CG-CE2 3.94Å; F97-F132 HydrophobicContact CG-CZ 4.03Å; F97-F132 HydrophobicContact CZ-CE2 4.2Å; F97-L140 HydrophobicContact CB-CD1 4.19Å; F97-L140 HydrophobicContact CD1-CD1 4.26Å; F97-L140 HydrophobicContact CG-CD1 4.5Å |
| 98 | I | 98.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -51.7 | 177.4 | -69 | 166.1 | 0 | 0 | 0 | 109.5 | P35 Q38 L39 A42 S94 I100 T102 F136 | P35-I98 HydrophobicContact CB-CD1 4.27Å; Q38-I98 HydrophobicContact CB-CD1 3.88Å; L39-I98 HydrophobicContact CB-CD1 4.27Å; L39-I98 HydrophobicContact CB-CG1 4.18Å; L39-I98 HydrophobicContact CD1-CG1 4.46Å; A42-I98 HydrophobicContact CB-CG2 3.97Å; S94-I98 WeakPolarHBondContact O-CB 3.4Å; S94-I98 VanDerWaalsContact O-CG1 3.24Å; S94-I98 WeakPolarHBondContact O-CG1 3.28Å; S94-I98 PolarHBondContact O-N 3.06Å; I98-I100 VanDerWaalsContact C-N 3.33Å; I98-I100 PolarHBondContact O-N 3.1Å; I98-T102 HydrophobicContact CG2-CG2 4.12Å; I98-T102 VanDerWaalsContact O-CB 3.3Å; I98-T102 WeakPolarHBondContact O-CB 3.48Å; I98-T102 WeakPolarHBondContact O-CG2 3.43Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 3.39Å; I98-F136 HydrophobicContact CD1-CE2 3.76Å; I98-F136 HydrophobicContact CD1-CZ 3.92Å; I98-F136 HydrophobicContact CG1-CE2 3.8Å; I98-F136 HydrophobicContact CG1-CZ 3.85Å |
| 99 | K | 98 | Very high | 97.5 | Very high | 125 Ų | 125 | 48.4 Ų | 48.4 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.6 | -45.8 | -176.8 | 177.8 | -173.5 | 172.1 | -169.6 | 0 | 112 | D95 T96 K103 | D95-K99 WeakPolarHBondContact O-CB 3.14Å; D95-K99 PolarHBondContact O-N 3.05Å; T96-K99 PolarHBondContact O-N 3.5Å; K99-K103 HydrophobicContact CG-CD 4.4Å; K99-K103 VanDerWaalsContact O-CB 3.25Å; K99-K103 WeakPolarHBondContact O-CB 3.22Å; K99-K103 WeakPolarHBondContact O-CD 3.47Å; K99-K103 VanDerWaalsContact O-CG 3.23Å; K99-K103 WeakPolarHBondContact O-CG 3.41Å |
| 100 | I | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.3 | -55.4 | -177.8 | -66.6 | 171.3 | 0 | 0 | 0 | 109.8 | D77 D80 L81 T96 I98 T102 K103 R104 I112 | D77-I100 HydrophobicContact CB-CD1 4.16Å; D77-I100 HydrophobicContact CB-CG2 4.17Å; D80-I100 HydrophobicContact CB-CD1 3.91Å; L81-I100 HydrophobicContact CD1-CG2 4.22Å; L81-I100 HydrophobicContact CD2-CB 4.46Å; L81-I100 HydrophobicContact CD2-CD1 4.03Å; L81-I100 HydrophobicContact CG-CD1 3.85Å; L81-I100 HydrophobicContact CG-CG2 4.48Å; T96-I100 HydrophobicContact CG2-CD1 3.84Å; T96-I100 WeakPolarHBondContact O-CG1 3.42Å; T96-I100 PolarHBondContact O-N 3.35Å; I98-I100 VanDerWaalsContact C-N 3.33Å; I98-I100 PolarHBondContact O-N 3.1Å; I100-T102 VanDerWaalsContact C-N 3.32Å; I100-T102 PolarHBondContact O-N 2.9Å; I100-K103 PolarHBondContact O-N 3.17Å; I100-R104 HydrophobicContact CG2-CG 4.05Å; I100-R104 WeakPolarHBondContact O-CB 3.16Å; I100-R104 WeakPolarHBondContact O-CG 3.25Å; I100-R104 PolarHBondContact O-N 2.66Å; I100-I112 HydrophobicContact CG2-CD1 3.76Å |
| 101 | L | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.2 | -19.4 | -169.1 | -61.7 | -180 | 0 | 0 | 0 | 113.9 | R48 F97 V109 I128 L140 M143 I144 | R48-L101 PolarHBondContact NH1-O 3Å; R48-L101 PolarHBondContact NH2-O 3.18Å; F97-L101 HydrophobicContact CD1-CD1 4Å; F97-L101 VanDerWaalsContact O-CB 3.26Å; F97-L101 WeakPolarHBondContact O-CB 3.25Å; F97-L101 WeakPolarHBondContact O-CG 3.48Å; F97-L101 PolarHBondContact O-N 3.32Å; L101-V109 HydrophobicContact CD2-CG1 4.42Å; L101-I128 HydrophobicContact CD1-CD1 4.4Å; L101-L140 HydrophobicContact CD1-CD2 4.32Å; L101-M143 HydrophobicContact CB-CE 3.31Å; L101-M143 HydrophobicContact CB-SD 4.24Å; L101-M143 HydrophobicContact CD1-CE 4.09Å; L101-M143 HydrophobicContact CG-CE 4.36Å; L101-M143 VanDerWaalsContact O-SD 3.37Å; L101-I144 HydrophobicContact CD1-CD1 4.44Å; L101-I144 HydrophobicContact CD2-CD1 3.99Å |
| 102 | T | 97.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -90.2 | -21.8 | 174.4 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | L39 A42 L43 I98 I100 M143 | L39-T102 HydrophobicContact CD1-CG2 3.66Å; A42-T102 HydrophobicContact CB-CG2 3.94Å; L43-T102 HydrophobicContact CD2-CG2 4.22Å; L43-T102 HydrophobicContact CG-CG2 4.4Å; I98-T102 HydrophobicContact CG2-CG2 4.12Å; I98-T102 VanDerWaalsContact O-CB 3.3Å; I98-T102 WeakPolarHBondContact O-CB 3.48Å; I98-T102 WeakPolarHBondContact O-CG2 3.43Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 3.39Å; I100-T102 VanDerWaalsContact C-N 3.32Å; I100-T102 PolarHBondContact O-N 2.9Å; T102-M143 HydrophobicContact CG2-CE 4.3Å; T102-M143 HydrophobicContact CG2-SD 3.72Å |
| 103 | K | 97.4 | Very high | 97.7 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 43% | 0.43 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -101.8 | -38.6 | -174.8 | -62.8 | -175.8 | 178.4 | -176.8 | 0 | 113.7 | R48 D49 K99 I100 | R48-K103 CarbonylContact C-O 3.57Å; R48-K103 WeakPolarHBondContact CA-O 3.02Å; D49-K103 WeakPolarHBondContact CB-O 3.38Å; D49-K103 PolarHBondContact N-O 2.94Å; K99-K103 HydrophobicContact CG-CD 4.4Å; K99-K103 VanDerWaalsContact O-CB 3.25Å; K99-K103 WeakPolarHBondContact O-CB 3.22Å; K99-K103 WeakPolarHBondContact O-CD 3.47Å; K99-K103 VanDerWaalsContact O-CG 3.23Å; K99-K103 WeakPolarHBondContact O-CG 3.41Å; I100-K103 PolarHBondContact O-N 3.17Å |
| 104 | R | 97.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -67.1 | 146.9 | -175.7 | -64.6 | -55.9 | -177.8 | -138.8 | -1.7 | 112.8 | R48 D49 D77 I100 H108 V109 I112 | R48-R104 WeakPolarHBondContact CD-O 3.23Å; R48-R104 WeakPolarHBondContact CG-O 3.4Å; R48-R104 PolarHBondContact NH1-O 2.96Å; D49-R104 IonicContact OD2-NH1 2.84Å; D77-R104 IonicContact OD1-CZ 3.96Å; D77-R104 IonicContact OD1-NE 2.9Å; D77-R104 IonicContact OD1-NH2 3.63Å; D77-R104 PolarHBondContact OD1-NH2 3.28Å; D77-R104 IonicContact OD2-CZ 3.73Å; D77-R104 IonicContact OD2-NE 3.08Å; D77-R104 PolarHBondContact OD2-NE 2.75Å; D77-R104 IonicContact OD2-NH2 2.79Å; D77-R104 PolarHBondContact OD2-NH2 2.9Å; I100-R104 HydrophobicContact CG2-CG 4.05Å; I100-R104 WeakPolarHBondContact O-CB 3.16Å; I100-R104 WeakPolarHBondContact O-CG 3.25Å; I100-R104 PolarHBondContact O-N 2.66Å; R104-H108 HydrophobicContact CB-CB 4.19Å; R104-V109 HydrophobicContact CB-CG2 3.78Å; R104-I112 HydrophobicContact CG-CD1 4.46Å |
| 105 | S | 97.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | trans | -64.3 | 165.2 | 178.6 | 81.4 | 0 | 0 | 0 | 0 | 112.3 | D49 D51 Y107 H108 V109 | D49-S105 WeakPolarHBondContact O-CA 3.46Å; D49-S105 WeakPolarHBondContact O-CB 3.45Å; D51-S105 VanDerWaalsContact CG-CB 3.42Å; D51-S105 VanDerWaalsContact OD1-CB 3.24Å; D51-S105 WeakPolarHBondContact OD1-CB 3.24Å; D51-S105 PolarHBondContact OD1-OG 3.12Å; D51-S105 WeakPolarHBondContact OD2-CB 3.41Å; D51-S105 PolarHBondContact OD2-OG 2.87Å; S105-Y107 VanDerWaalsContact C-N 3.33Å; S105-Y107 PolarHBondContact O-N 3.42Å; S105-H108 PolarHBondContact O-N 3.3Å; S105-H108 WeakPolarHBondContact OG-CB 3.26Å; S105-H108 PolarHBondContact OG-N 3.38Å; S105-V109 WeakPolarHBondContact O-CG2 3.38Å; S105-V109 PolarHBondContact O-N 3.16Å | ||
| 106 | K | 95.5 | Very high | 97.6 | Very high | 106 Ų | 106 | 37.1 Ų | 37.1 | 46% | 0.461 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.9 | -45.9 | -177.8 | 178.9 | -178.4 | 175.8 | -179.1 | 0 | 111 | D51 V109 K110 L147 | D51-K106 PolarHBondContact OD2-N 2.83Å; K106-V109 PolarHBondContact O-N 3Å; K106-K110 PolarHBondContact O-N 3.14Å; K106-L147 HydrophobicContact CB-CD2 4.32Å; K106-L147 WeakPolarHBondContact CE-O 3.14Å; K106-L147 HydrophobicContact CG-CD2 4.31Å |
| 107 | Y | 96.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 39 Ų | 39 | 21% | 0.212 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.5 | -33.8 | -179.5 | -72.1 | -80.3 | 0 | 0 | 0 | 111.9 | D51 V56 T65 L68 S105 K110 E111 | D51-Y107 HydrophobicContact CB-CD2 4.16Å; D51-Y107 VanDerWaalsContact OD2-CD2 3.32Å; D51-Y107 WeakPolarHBondContact OD2-CD2 3.44Å; D51-Y107 PolarHBondContact OD2-N 3.19Å; V56-Y107 HydrophobicContact CB-CE2 4.22Å; V56-Y107 HydrophobicContact CG1-CE2 3.63Å; V56-Y107 WeakPolarHBondContact CG1-OH 3.41Å; V56-Y107 HydrophobicContact CG2-CD2 4.06Å; V56-Y107 HydrophobicContact CG2-CE2 3.63Å; T65-Y107 HydrophobicContact CG2-CD1 4.05Å; L68-Y107 HydrophobicContact CD1-CD1 4.2Å; L68-Y107 HydrophobicContact CD1-CD2 3.9Å; L68-Y107 HydrophobicContact CD1-CE2 4.46Å; L68-Y107 HydrophobicContact CD1-CG 3.77Å; S105-Y107 VanDerWaalsContact C-N 3.33Å; S105-Y107 PolarHBondContact O-N 3.42Å; Y107-K110 WeakPolarHBondContact O-CB 3.23Å; Y107-K110 PolarHBondContact O-N 3.05Å; Y107-E111 PolarHBondContact O-N 3.31Å; Y107-E111 VanDerWaalsContact O-N 3.07Å |
| 108 | H | 97.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 6% | 0.06 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 172.4 | -169.9 | 109.1 | 0 | 0 | 0 | 112 | V69 D77 R104 S105 K110 E111 I112 | V69-H108 HydrophobicContact CG1-CB 4.32Å; V69-H108 HydrophobicContact CG2-CB 4.09Å; D77-H108 IonicContact OD2-CD2 2.71Å; D77-H108 IonicContact OD2-CE1 2.72Å; D77-H108 IonicContact OD2-NE2 3.04Å; D77-H108 PolarHBondContact OD2-NE2 3.33Å; R104-H108 HydrophobicContact CB-CB 4.19Å; S105-H108 PolarHBondContact O-N 3.3Å; S105-H108 WeakPolarHBondContact OG-CB 3.26Å; S105-H108 PolarHBondContact OG-N 3.38Å; H108-K110 PolarHBondContact O-N 2.77Å; H108-E111 PolarHBondContact O-N 2.97Å; H108-I112 VanDerWaalsContact CD2-CD1 3.45Å; H108-I112 WeakPolarHBondContact CD2-CD1 3.26Å; H108-I112 WeakPolarHBondContact O-CG1 3.47Å; H108-I112 PolarHBondContact O-N 3Å |
| 109 | V | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -33.4 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | L101 R104 S105 K106 I112 W113 I144 L147 M148 | L101-V109 HydrophobicContact CD2-CG1 4.42Å; R104-V109 HydrophobicContact CB-CG2 3.78Å; S105-V109 WeakPolarHBondContact O-CG2 3.38Å; S105-V109 PolarHBondContact O-N 3.16Å; K106-V109 PolarHBondContact O-N 3Å; V109-I112 PolarHBondContact O-N 2.87Å; V109-W113 WeakPolarHBondContact O-CB 3.49Å; V109-W113 PolarHBondContact O-N 3.45Å; V109-I144 HydrophobicContact CG1-CD1 4.45Å; V109-I144 HydrophobicContact CG1-CG1 4.1Å; V109-L147 HydrophobicContact CB-CD1 4.24Å; V109-L147 HydrophobicContact CG1-CD1 4.02Å; V109-L147 HydrophobicContact CG2-CD1 4.13Å; V109-M148 HydrophobicContact CB-CE 4.35Å; V109-M148 HydrophobicContact CG1-CE 4.02Å |
| 110 | K | 96.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 42 Ų | 42 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.8 | -180 | 56.1 | 177.5 | 152.4 | 0 | 112.1 | K106 Y107 H108 I112 W113 D114 M148 | K106-K110 PolarHBondContact O-N 3.14Å; Y107-K110 WeakPolarHBondContact O-CB 3.23Å; Y107-K110 PolarHBondContact O-N 3.05Å; H108-K110 PolarHBondContact O-N 2.77Å; K110-I112 VanDerWaalsContact C-N 3.34Å; K110-I112 PolarHBondContact O-N 3.49Å; K110-W113 WeakPolarHBondContact O-CB 3.14Å; K110-W113 PolarHBondContact O-N 3.13Å; K110-D114 WeakPolarHBondContact CE-OD2 3.22Å; K110-D114 VanDerWaalsContact NZ-CG 3.29Å; K110-D114 IonicContact NZ-OD1 2.74Å; K110-D114 PolarHBondContact NZ-OD1 3.43Å; K110-D114 IonicContact NZ-OD2 2.73Å; K110-D114 PolarHBondContact NZ-OD2 3.28Å; K110-D114 PolarHBondContact O-N 2.72Å; K110-M148 VanDerWaalsContact CA-SD 3.6Å; K110-M148 HydrophobicContact CB-CE 3.8Å; K110-M148 HydrophobicContact CB-SD 4Å; K110-M148 HydrophobicContact CD-CE 4.32Å; K110-M148 HydrophobicContact CD-SD 3.6Å; K110-M148 HydrophobicContact CG-SD 4.41Å |
| 111 | E | 97.6 | Very high | 97.5 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 174.4 | -68.6 | -61.6 | 137.8 | 0 | 0 | 112.2 | T65 V69 V74 Y107 H108 W113 L115 | T65-E111 WeakPolarHBondContact CB-OE1 3.29Å; T65-E111 WeakPolarHBondContact CG2-OE1 3.46Å; T65-E111 PolarHBondContact OG1-OE1 3.39Å; V69-E111 HydrophobicContact CB-CG 4.39Å; V69-E111 HydrophobicContact CG1-CB 4.39Å; V69-E111 HydrophobicContact CG1-CG 4.15Å; V69-E111 HydrophobicContact CG2-CG 4.32Å; V74-E111 HydrophobicContact CG1-CB 3.94Å; V74-E111 HydrophobicContact CG2-CB 3.83Å; Y107-E111 PolarHBondContact O-N 3.31Å; Y107-E111 VanDerWaalsContact O-N 3.07Å; H108-E111 PolarHBondContact O-N 2.97Å; E111-W113 VanDerWaalsContact C-N 3.35Å; E111-L115 WeakPolarHBondContact O-CB 3.46Å; E111-L115 PolarHBondContact O-N 2.93Å |
| 112 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 172.8 | -68.5 | 175.9 | 0 | 0 | 0 | 110.1 | V74 D77 V78 L81 I100 R104 H108 V109 K110 Y116 I124 | V74-I112 HydrophobicContact CG1-CG1 4.21Å; D77-I112 HydrophobicContact CB-CD1 3.62Å; D77-I112 HydrophobicContact CB-CG1 4.21Å; V78-I112 HydrophobicContact CG2-CB 4.11Å; V78-I112 HydrophobicContact CG2-CG1 4.23Å; V78-I112 HydrophobicContact CG2-CG2 3.81Å; L81-I112 HydrophobicContact CD1-CG2 3.54Å; I100-I112 HydrophobicContact CG2-CD1 3.76Å; R104-I112 HydrophobicContact CG-CD1 4.46Å; H108-I112 VanDerWaalsContact CD2-CD1 3.45Å; H108-I112 WeakPolarHBondContact CD2-CD1 3.26Å; H108-I112 WeakPolarHBondContact O-CG1 3.47Å; H108-I112 PolarHBondContact O-N 3Å; V109-I112 PolarHBondContact O-N 2.87Å; K110-I112 VanDerWaalsContact C-N 3.34Å; K110-I112 PolarHBondContact O-N 3.49Å; I112-Y116 WeakPolarHBondContact O-CB 3.44Å; I112-Y116 PolarHBondContact O-N 3.46Å; I112-I124 HydrophobicContact CG2-CD1 3.76Å |
| 113 | W | 97.5 | Very high | 97.4 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57 | -52.7 | -179.5 | 178.9 | -80.6 | 0 | 0 | 0 | 112 | V109 K110 E111 L117 I124 V125 I144 M145 M148 | V109-W113 WeakPolarHBondContact O-CB 3.49Å; V109-W113 PolarHBondContact O-N 3.45Å; K110-W113 WeakPolarHBondContact O-CB 3.14Å; K110-W113 PolarHBondContact O-N 3.13Å; E111-W113 VanDerWaalsContact C-N 3.35Å; W113-L117 PolarHBondContact O-N 2.95Å; W113-I124 HydrophobicContact CE3-CB 4.2Å; W113-I124 HydrophobicContact CE3-CD1 4.34Å; W113-I124 HydrophobicContact CZ3-CB 4.2Å; W113-V125 HydrophobicContact CH2-CB 4.17Å; W113-V125 HydrophobicContact CH2-CG2 3.58Å; W113-V125 HydrophobicContact CZ3-CG2 3.72Å; W113-I144 HydrophobicContact CE3-CD1 3.65Å; W113-I144 HydrophobicContact CE3-CG1 4Å; W113-I144 HydrophobicContact CZ3-CD1 3.85Å; W113-I144 HydrophobicContact CZ3-CG1 4.1Å; W113-I144 HydrophobicContact CZ3-CG2 4.36Å; W113-M145 HydrophobicContact CH2-SD 4.17Å; W113-M148 HydrophobicContact CB-SD 3.85Å; W113-M148 HydrophobicContact CD2-CG 4.11Å; W113-M148 HydrophobicContact CD2-SD 4.44Å; W113-M148 HydrophobicContact CE3-CG 4Å; W113-M148 HydrophobicContact CG-CG 4.36Å; W113-M148 HydrophobicContact CG-SD 4.08Å |
| 114 | D | 97.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 36% | 0.358 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.4 | -42.3 | -176.1 | -67.8 | -24 | 0 | 0 | 0 | 111.2 | K110 A118 | K110-D114 WeakPolarHBondContact CE-OD2 3.22Å; K110-D114 VanDerWaalsContact NZ-CG 3.29Å; K110-D114 IonicContact NZ-OD1 2.74Å; K110-D114 PolarHBondContact NZ-OD1 3.43Å; K110-D114 IonicContact NZ-OD2 2.73Å; K110-D114 PolarHBondContact NZ-OD2 3.28Å; K110-D114 PolarHBondContact O-N 2.72Å; D114-A118 WeakPolarHBondContact O-CB 3.43Å; D114-A118 PolarHBondContact O-N 2.99Å |
| 115 | L | 98.2 | Very high | 97.4 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -39.9 | 178.9 | -178.6 | 61 | 0 | 0 | 0 | 112.8 | V74 D75 V78 E111 L117 A118 K119 | V74-L115 HydrophobicContact CG1-CB 4.5Å; V74-L115 HydrophobicContact CG1-CD2 3.85Å; D75-L115 WeakPolarHBondContact OD1-CD2 3.48Å; V78-L115 HydrophobicContact CB-CD2 4.24Å; V78-L115 HydrophobicContact CG1-CD2 4.35Å; V78-L115 HydrophobicContact CG1-CG 4.3Å; V78-L115 HydrophobicContact CG2-CB 4.13Å; V78-L115 HydrophobicContact CG2-CD2 3.94Å; V78-L115 HydrophobicContact CG2-CG 4.18Å; E111-L115 WeakPolarHBondContact O-CB 3.46Å; E111-L115 PolarHBondContact O-N 2.93Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.05Å; L115-A118 PolarHBondContact O-N 3.5Å; L115-K119 VanDerWaalsContact O-CB 3.31Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 PolarHBondContact O-N 2.99Å |
| 116 | Y | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 178.7 | -169.3 | -74.8 | 0 | 0 | 0 | 110.4 | V78 L81 I112 A118 K119 Y120 N122 I124 V127 | V78-Y116 HydrophobicContact CG1-CD2 4.17Å; L81-Y116 HydrophobicContact CB-CD2 4.43Å; L81-Y116 HydrophobicContact CB-CE2 4.22Å; I112-Y116 WeakPolarHBondContact O-CB 3.44Å; I112-Y116 PolarHBondContact O-N 3.46Å; Y116-A118 PolarHBondContact O-N 3.4Å; Y116-K119 PolarHBondContact O-N 2.87Å; Y116-Y120 HydrophobicContact CD1-CD2 4.2Å; Y116-Y120 AromaticContact CD2-CD2 3.89Å; Y116-Y120 HydrophobicContact CD2-CD2 3.89Å; Y116-Y120 HydrophobicContact CD2-CE2 4.26Å; Y116-Y120 HydrophobicContact CE1-CD2 4.14Å; Y116-Y120 AromaticContact CE2-CD2 3.85Å; Y116-Y120 HydrophobicContact CE2-CD2 3.85Å; Y116-Y120 HydrophobicContact CE2-CE2 4.25Å; Y116-Y120 HydrophobicContact CG-CD2 4.05Å; Y116-Y120 AromaticContact CZ-CD2 3.95Å; Y116-Y120 PolarHBondContact O-N 2.83Å; Y116-N122 VanDerWaalsContact CD1-O 3.23Å; Y116-N122 WeakPolarHBondContact CD1-O 3.46Å; Y116-N122 WeakPolarHBondContact CE1-O 3.23Å; Y116-I124 HydrophobicContact CD1-CG1 3.95Å; Y116-I124 HydrophobicContact CD2-CG1 4.23Å; Y116-I124 HydrophobicContact CG-CD1 4.3Å; Y116-I124 HydrophobicContact CG-CG1 3.79Å; Y116-V127 HydrophobicContact CE1-CG2 3.84Å; Y116-V127 WeakPolarHBondContact OH-CG2 3.23Å |
| 117 | L | 98 | Very high | 97.5 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 38% | 0.382 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.9 | 179.9 | 60.1 | 0 | 0 | 0 | 111.8 | W113 L115 K119 H121 T123 | W113-L117 PolarHBondContact O-N 2.95Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.05Å; L117-K119 PolarHBondContact O-N 3.42Å; L117-H121 VanDerWaalsContact O-CA 3.24Å; L117-H121 WeakPolarHBondContact O-CA 3.36Å; L117-H121 PolarHBondContact O-N 2.86Å; L117-T123 HydrophobicContact CD1-CG2 4.12Å |
| 118 | A | 98.2 | Very high | 97.6 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 55% | 0.554 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65.2 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D114 L115 Y116 H121 | D114-A118 WeakPolarHBondContact O-CB 3.43Å; D114-A118 PolarHBondContact O-N 2.99Å; L115-A118 PolarHBondContact O-N 3.5Å; Y116-A118 PolarHBondContact O-N 3.4Å; A118-H121 PolarHBondContact O-CE1 3.2Å |
| 119 | K | 98.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -86.3 | -35.4 | -174.1 | -169.5 | 175.3 | 179.9 | -172 | 0 | 113.5 | V78 L115 Y116 L117 | V78-K119 HydrophobicContact CG1-CD 4.42Å; L115-K119 VanDerWaalsContact O-CB 3.31Å; L115-K119 WeakPolarHBondContact O-CB 3.45Å; L115-K119 PolarHBondContact O-N 2.99Å; Y116-K119 PolarHBondContact O-N 2.87Å; L117-K119 PolarHBondContact O-N 3.42Å |
| 120 | Y | 97.9 | Very high | 97.6 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -119.6 | -2 | -171.7 | -56.5 | -63.2 | 0 | 0 | 0 | 113.9 | V78 Y82 Y116 N122 | V78-Y120 HydrophobicContact CG1-CD2 4.35Å; V78-Y120 HydrophobicContact CG1-CE2 3.66Å; Y82-Y120 HydrophobicContact CD1-CD1 4.49Å; Y82-Y120 AromaticContact CD1-CE1 3.71Å; Y82-Y120 HydrophobicContact CD1-CE1 3.71Å; Y82-Y120 HydrophobicContact CD1-CE2 4.47Å; Y82-Y120 AromaticContact CD1-CZ 3.69Å; Y82-Y120 AromaticContact CD2-CD1 3.49Å; Y82-Y120 HydrophobicContact CD2-CD1 3.49Å; Y82-Y120 VanDerWaalsContact CD2-CD1 3.49Å; Y82-Y120 AromaticContact CD2-CD2 3.93Å; Y82-Y120 HydrophobicContact CD2-CD2 3.93Å; Y82-Y120 AromaticContact CD2-CE1 3.52Å; Y82-Y120 HydrophobicContact CD2-CE1 3.52Å; Y82-Y120 AromaticContact CD2-CE2 3.96Å; Y82-Y120 HydrophobicContact CD2-CE2 3.96Å; Y82-Y120 AromaticContact CD2-CG 3.7Å; Y82-Y120 HydrophobicContact CD2-CG 3.7Å; Y82-Y120 AromaticContact CD2-CZ 3.76Å; Y82-Y120 HydrophobicContact CE1-CD1 4.47Å; Y82-Y120 AromaticContact CE1-CE1 3.81Å; Y82-Y120 HydrophobicContact CE1-CE1 3.81Å; Y82-Y120 AromaticContact CE2-CD1 3.5Å; Y82-Y120 HydrophobicContact CE2-CD1 3.5Å; Y82-Y120 AromaticContact CE2-CE1 3.67Å; Y82-Y120 HydrophobicContact CE2-CE1 3.67Å; Y82-Y120 HydrophobicContact CE2-CG 4.07Å; Y82-Y120 HydrophobicContact CG-CD1 4.01Å; Y82-Y120 HydrophobicContact CG-CD2 4.19Å; Y82-Y120 AromaticContact CG-CE1 3.54Å; Y82-Y120 HydrophobicContact CG-CE1 3.54Å; Y82-Y120 AromaticContact CG-CE2 3.74Å; Y82-Y120 HydrophobicContact CG-CE2 3.74Å; Y82-Y120 HydrophobicContact CG-CG 4.32Å; Y82-Y120 AromaticContact CG-CZ 3.38Å; Y82-Y120 AromaticContact CZ-CE1 3.79Å; Y116-Y120 HydrophobicContact CD1-CD2 4.2Å; Y116-Y120 AromaticContact CD2-CD2 3.89Å; Y116-Y120 HydrophobicContact CD2-CD2 3.89Å; Y116-Y120 HydrophobicContact CD2-CE2 4.26Å; Y116-Y120 HydrophobicContact CE1-CD2 4.14Å; Y116-Y120 AromaticContact CE2-CD2 3.85Å; Y116-Y120 HydrophobicContact CE2-CD2 3.85Å; Y116-Y120 HydrophobicContact CE2-CE2 4.25Å; Y116-Y120 HydrophobicContact CG-CD2 4.05Å; Y116-Y120 AromaticContact CZ-CD2 3.95Å; Y116-Y120 PolarHBondContact O-N 2.83Å; Y120-N122 PolarHBondContact O-N 3.46Å; Y120-N122 VanDerWaalsContact O-N 3.1Å |
| 121 | H | 97.3 | Very high | 97.7 | Very high | 162 Ų | 162 | 49.1 Ų | 49.1 | 75% | 0.75 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 55.9 | 28.5 | 174.9 | -50.9 | -60.8 | 0 | 0 | 0 | 114.5 | L117 A118 | L117-H121 VanDerWaalsContact O-CA 3.24Å; L117-H121 WeakPolarHBondContact O-CA 3.36Å; L117-H121 PolarHBondContact O-N 2.86Å; A118-H121 PolarHBondContact O-CE1 3.2Å |
| 122 | N | 96.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 48 Ų | 48 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -140.5 | 144.7 | 178.3 | -167.8 | 15.6 | 0 | 0 | 0 | 107.7 | E86 Y116 Y120 E126 V127 | E86-N122 WeakPolarHBondContact OE2-CB 3.2Å; E86-N122 PolarHBondContact OE2-ND2 2.71Å; Y116-N122 VanDerWaalsContact CD1-O 3.23Å; Y116-N122 WeakPolarHBondContact CD1-O 3.46Å; Y116-N122 WeakPolarHBondContact CE1-O 3.23Å; Y120-N122 PolarHBondContact O-N 3.46Å; Y120-N122 VanDerWaalsContact O-N 3.1Å; N122-E126 WeakPolarHBondContact OD1-CB 3.45Å; N122-E126 PolarHBondContact OD1-OE2 3.24Å; N122-V127 HydrophobicContact CB-CG2 4.5Å; N122-V127 VanDerWaalsContact ND2-CG2 3.27Å; N122-V127 WeakPolarHBondContact ND2-CG2 3.2Å |
| 123 | T | 96.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | trans | -82.6 | 152.1 | 177.7 | 65.5 | 0 | 0 | 0 | 0 | 111 | L117 V125 E126 V127 | L117-T123 HydrophobicContact CD1-CG2 4.12Å; T123-V125 PolarHBondContact O-N 3.46Å; T123-E126 WeakPolarHBondContact CB-OE2 3.26Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.28Å; T123-E126 PolarHBondContact N-OE2 3.34Å; T123-E126 PolarHBondContact O-N 3.12Å; T123-E126 VanDerWaalsContact O-N 3.14Å; T123-E126 WeakPolarHBondContact OG1-CB 3.27Å; T123-E126 VanDerWaalsContact OG1-CD 3.28Å; T123-E126 WeakPolarHBondContact OG1-CG 3.37Å; T123-E126 PolarHBondContact OG1-N 3.47Å; T123-E126 VanDerWaalsContact OG1-N 3.14Å; T123-E126 PolarHBondContact OG1-OE2 2.97Å; T123-V127 WeakPolarHBondContact O-CG2 3.42Å; T123-V127 PolarHBondContact O-N 3.46Å | ||
| 124 | I | 97.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 175.9 | -61.6 | 172.9 | 0 | 0 | 0 | 110.6 | L81 F97 I112 W113 Y116 V127 I128 I144 | L81-I124 HydrophobicContact CD1-CD1 4.46Å; F97-I124 HydrophobicContact CE1-CG2 4.33Å; I112-I124 HydrophobicContact CG2-CD1 3.76Å; W113-I124 HydrophobicContact CE3-CB 4.2Å; W113-I124 HydrophobicContact CE3-CD1 4.34Å; W113-I124 HydrophobicContact CZ3-CB 4.2Å; Y116-I124 HydrophobicContact CD1-CG1 3.95Å; Y116-I124 HydrophobicContact CD2-CG1 4.23Å; Y116-I124 HydrophobicContact CG-CD1 4.3Å; Y116-I124 HydrophobicContact CG-CG1 3.79Å; I124-V127 PolarHBondContact O-N 3.35Å; I124-I128 HydrophobicContact CG2-CD1 3.72Å; I124-I128 HydrophobicContact CG2-CG1 4.24Å; I124-I128 WeakPolarHBondContact O-CB 3.3Å; I124-I128 WeakPolarHBondContact O-CD1 3.41Å; I124-I128 VanDerWaalsContact O-CG1 3.23Å; I124-I128 WeakPolarHBondContact O-CG1 3.28Å; I124-I128 PolarHBondContact O-N 3.29Å; I124-I144 HydrophobicContact CB-CD1 3.91Å; I124-I144 HydrophobicContact CD1-CD1 4.02Å; I124-I144 HydrophobicContact CG2-CD1 3.55Å |
| 125 | V | 96.6 | Very high | 97.6 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.1 | 165.8 | 0 | 0 | 0 | 0 | 112 | W113 T123 I128 S129 I144 M145 | W113-V125 HydrophobicContact CH2-CB 4.17Å; W113-V125 HydrophobicContact CH2-CG2 3.58Å; W113-V125 HydrophobicContact CZ3-CG2 3.72Å; T123-V125 PolarHBondContact O-N 3.46Å; V125-I128 PolarHBondContact O-N 2.93Å; V125-S129 VanDerWaalsContact O-CB 3.26Å; V125-S129 WeakPolarHBondContact O-CB 3.36Å; V125-S129 PolarHBondContact O-N 3.08Å; V125-S129 PolarHBondContact O-OG 2.68Å; V125-I144 HydrophobicContact CG2-CG2 3.99Å; V125-M145 HydrophobicContact CG2-CG 4.07Å; V125-M145 HydrophobicContact CG2-SD 3.92Å |
| 126 | E | 97.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 176.1 | -75.3 | 165.6 | 129.5 | 0 | 0 | 111.8 | N122 T123 S129 K130 | N122-E126 WeakPolarHBondContact OD1-CB 3.45Å; N122-E126 PolarHBondContact OD1-OE2 3.24Å; T123-E126 WeakPolarHBondContact CB-OE2 3.26Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.28Å; T123-E126 PolarHBondContact N-OE2 3.34Å; T123-E126 PolarHBondContact O-N 3.12Å; T123-E126 VanDerWaalsContact O-N 3.14Å; T123-E126 WeakPolarHBondContact OG1-CB 3.27Å; T123-E126 VanDerWaalsContact OG1-CD 3.28Å; T123-E126 WeakPolarHBondContact OG1-CG 3.37Å; T123-E126 PolarHBondContact OG1-N 3.47Å; T123-E126 VanDerWaalsContact OG1-N 3.14Å; T123-E126 PolarHBondContact OG1-OE2 2.97Å; E126-S129 PolarHBondContact O-N 3.36Å; E126-K130 WeakPolarHBondContact O-CB 3.36Å; E126-K130 VanDerWaalsContact O-CG 3.28Å; E126-K130 WeakPolarHBondContact O-CG 3.36Å; E126-K130 PolarHBondContact O-N 2.85Å |
| 127 | V | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -50 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | E86 F97 Y116 N122 T123 I124 S129 K130 K131 | E86-V127 HydrophobicContact CB-CG2 4.46Å; F97-V127 HydrophobicContact CZ-CG1 4.09Å; Y116-V127 HydrophobicContact CE1-CG2 3.84Å; Y116-V127 WeakPolarHBondContact OH-CG2 3.23Å; N122-V127 HydrophobicContact CB-CG2 4.5Å; N122-V127 VanDerWaalsContact ND2-CG2 3.27Å; N122-V127 WeakPolarHBondContact ND2-CG2 3.2Å; T123-V127 WeakPolarHBondContact O-CG2 3.42Å; T123-V127 PolarHBondContact O-N 3.46Å; I124-V127 PolarHBondContact O-N 3.35Å; V127-S129 PolarHBondContact O-N 3.01Å; V127-K130 PolarHBondContact O-N 2.87Å; V127-K131 HydrophobicContact CG1-CG 4.18Å; V127-K131 VanDerWaalsContact O-CB 3.29Å; V127-K131 WeakPolarHBondContact O-CB 3.48Å; V127-K131 VanDerWaalsContact O-CG 3.24Å; V127-K131 WeakPolarHBondContact O-CG 3.34Å; V127-K131 PolarHBondContact O-N 2.9Å |
| 128 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 176.9 | -71.3 | 162.1 | 0 | 0 | 0 | 109.9 | F97 L101 I124 V125 K130 K131 F132 R137 L140 N141 I144 | F97-I128 HydrophobicContact CD1-CD1 4.45Å; F97-I128 HydrophobicContact CD1-CG1 3.99Å; F97-I128 HydrophobicContact CE1-CD1 4.35Å; F97-I128 HydrophobicContact CE1-CG1 3.68Å; L101-I128 HydrophobicContact CD1-CD1 4.4Å; I124-I128 HydrophobicContact CG2-CD1 3.72Å; I124-I128 HydrophobicContact CG2-CG1 4.24Å; I124-I128 WeakPolarHBondContact O-CB 3.3Å; I124-I128 WeakPolarHBondContact O-CD1 3.41Å; I124-I128 VanDerWaalsContact O-CG1 3.23Å; I124-I128 WeakPolarHBondContact O-CG1 3.28Å; I124-I128 PolarHBondContact O-N 3.29Å; V125-I128 PolarHBondContact O-N 2.93Å; I128-K130 VanDerWaalsContact C-N 3.31Å; I128-K130 PolarHBondContact O-N 3.31Å; I128-K131 PolarHBondContact O-N 3.01Å; I128-F132 HydrophobicContact CB-CD2 4.39Å; I128-F132 HydrophobicContact CG2-CD2 4.15Å; I128-F132 PolarHBondContact O-N 3.11Å; I128-R137 HydrophobicContact CG2-CG 4.16Å; I128-L140 HydrophobicContact CD1-CB 3.99Å; I128-L140 HydrophobicContact CG1-CB 4.4Å; I128-L140 HydrophobicContact CG1-CD1 4.29Å; I128-L140 HydrophobicContact CG2-CB 3.81Å; I128-L140 HydrophobicContact CG2-CD1 4.14Å; I128-N141 WeakPolarHBondContact CB-OD1 3.31Å; I128-N141 WeakPolarHBondContact CG2-OD1 3.21Å; I128-I144 HydrophobicContact CD1-CG2 4.35Å |
| 129 | S | 97.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.1 | -31.7 | -176 | -57.9 | 0 | 0 | 0 | 0 | 113.8 | V125 E126 V127 N141 | V125-S129 VanDerWaalsContact O-CB 3.26Å; V125-S129 WeakPolarHBondContact O-CB 3.36Å; V125-S129 PolarHBondContact O-N 3.08Å; V125-S129 PolarHBondContact O-OG 2.68Å; E126-S129 PolarHBondContact O-N 3.36Å; V127-S129 PolarHBondContact O-N 3.01Å; S129-N141 PolarHBondContact OG-ND2 3.4Å; S129-N141 VanDerWaalsContact OG-ND2 3.11Å |
| 130 | K | 97.8 | Very high | 97.5 | Very high | 151 Ų | 151 | 48.5 Ų | 48.5 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -81.7 | -31.7 | 176.1 | -70.4 | 167.8 | -175.5 | 167.1 | 0 | 112.8 | E126 V127 I128 | E126-K130 WeakPolarHBondContact O-CB 3.36Å; E126-K130 VanDerWaalsContact O-CG 3.28Å; E126-K130 WeakPolarHBondContact O-CG 3.36Å; E126-K130 PolarHBondContact O-N 2.85Å; V127-K130 PolarHBondContact O-N 2.87Å; I128-K130 VanDerWaalsContact C-N 3.31Å; I128-K130 PolarHBondContact O-N 3.31Å |
| 131 | K | 98.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -99.9 | -18.3 | -167.2 | -66.1 | -69.3 | 175.7 | 163.1 | 0 | 114.8 | G85 E86 R88 G90 G92 V127 I128 | G85-K131 WeakPolarHBondContact O-CD 3.45Å; G85-K131 WeakPolarHBondContact O-CE 3.44Å; G85-K131 PolarHBondContact O-NZ 2.92Å; E86-K131 PolarHBondContact O-NZ 3.29Å; E86-K131 VanDerWaalsContact O-NZ 3.12Å; R88-K131 PolarHBondContact O-NZ 2.71Å; G90-K131 WeakPolarHBondContact O-CD 3.25Å; G92-K131 PolarHBondContact N-O 3.32Å; G92-K131 VanDerWaalsContact N-O 3.11Å; V127-K131 HydrophobicContact CG1-CG 4.18Å; V127-K131 VanDerWaalsContact O-CB 3.29Å; V127-K131 WeakPolarHBondContact O-CB 3.48Å; V127-K131 VanDerWaalsContact O-CG 3.24Å; V127-K131 WeakPolarHBondContact O-CG 3.34Å; V127-K131 PolarHBondContact O-N 2.9Å; I128-K131 PolarHBondContact O-N 3.01Å |
| 132 | F | 98.2 | Very high | 97.4 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | trans | -128.2 | 150.9 | -175.4 | -58.5 | -67.6 | 0 | 0 | 0 | 112.1 | G92 F97 I128 F136 R137 L140 | G92-F132 WeakPolarHBondContact O-CE1 3.45Å; F97-F132 HydrophobicContact CB-CZ 4.47Å; F97-F132 HydrophobicContact CD1-CE2 4.07Å; F97-F132 AromaticContact CD2-CE2 3.95Å; F97-F132 HydrophobicContact CD2-CE2 3.95Å; F97-F132 AromaticContact CD2-CZ 3.77Å; F97-F132 HydrophobicContact CD2-CZ 3.77Å; F97-F132 HydrophobicContact CE1-CE2 4.2Å; F97-F132 HydrophobicContact CE2-CE2 4.07Å; F97-F132 HydrophobicContact CE2-CZ 4.13Å; F97-F132 AromaticContact CG-CE2 3.94Å; F97-F132 HydrophobicContact CG-CE2 3.94Å; F97-F132 HydrophobicContact CG-CZ 4.03Å; F97-F132 HydrophobicContact CZ-CE2 4.2Å; I128-F132 HydrophobicContact CB-CD2 4.39Å; I128-F132 HydrophobicContact CG2-CD2 4.15Å; I128-F132 PolarHBondContact O-N 3.11Å; F132-F136 HydrophobicContact CB-CD1 3.86Å; F132-F136 HydrophobicContact CB-CE1 4.38Å; F132-F136 AromaticContact CD1-CD1 3.65Å; F132-F136 HydrophobicContact CD1-CD1 3.65Å; F132-F136 AromaticContact CD1-CE1 3.47Å; F132-F136 HydrophobicContact CD1-CE1 3.47Å; F132-F136 VanDerWaalsContact CD1-CE1 3.47Å; F132-F136 HydrophobicContact CD2-CE1 4.3Å; F132-F136 HydrophobicContact CE1-CD1 4.33Å; F132-F136 AromaticContact CE1-CE1 3.69Å; F132-F136 HydrophobicContact CE1-CE1 3.69Å; F132-F136 AromaticContact CG-CD1 3.77Å; F132-F136 HydrophobicContact CG-CD1 3.77Å; F132-F136 AromaticContact CG-CE1 3.79Å; F132-F136 HydrophobicContact CG-CE1 3.79Å; F132-F136 HydrophobicContact CZ-CE1 4.21Å; F132-R137 HydrophobicContact CB-CB 4.3Å; F132-L140 HydrophobicContact CD2-CD1 3.91Å; F132-L140 HydrophobicContact CE2-CD1 4.01Å; F132-L140 HydrophobicContact CG-CD1 4.47Å | ||
| 133 | S | 97.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | trans | -98.8 | 164.8 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | F136 R137 | S133-F136 PolarHBondContact O-N 3.47Å; S133-R137 PolarHBondContact O-N 3.21Å | ||
| 134 | E | 97.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 41.1 Ų | 41.1 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 154.3 | 170.2 | -62.7 | -57.3 | 167 | 0 | 0 | 112.6 | F136 R137 S138 | E134-F136 VanDerWaalsContact C-N 3.31Å; E134-R137 IonicContact OE1-CZ 3.43Å; E134-R137 IonicContact OE1-NE 3.04Å; E134-R137 PolarHBondContact OE1-NE 2.9Å; E134-R137 IonicContact OE1-NH2 3.86Å; E134-R137 PolarHBondContact OE1-NH2 3.36Å; E134-S138 PolarHBondContact OE1-OG 2.94Å; E134-S138 WeakPolarHBondContact OE2-CB 3.5Å; E134-S138 PolarHBondContact OE2-N 2.9Å; E134-S138 PolarHBondContact OE2-OG 3.35Å |
| 135 | P | 96.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -80.2 | -5.2 | -6.7 | 32.8 | -36.5 | 0 | 0 | 0 | 114 | Y36 R137 S138 G139 | Y36-P135 HydrophobicContact CD1-CB 4.13Å; Y36-P135 HydrophobicContact CD1-CG 3.4Å; Y36-P135 HydrophobicContact CD2-CB 4.36Å; Y36-P135 HydrophobicContact CD2-CG 4.17Å; Y36-P135 HydrophobicContact CE1-CB 3.99Å; Y36-P135 HydrophobicContact CE1-CG 3.71Å; Y36-P135 HydrophobicContact CE2-CB 4.24Å; Y36-P135 HydrophobicContact CE2-CG 4.44Å; Y36-P135 HydrophobicContact CG-CB 4.3Å; Y36-P135 HydrophobicContact CG-CG 3.64Å; P135-R137 PolarHBondContact O-N 2.66Å; P135-S138 PolarHBondContact O-N 3.45Å; P135-G139 PolarHBondContact O-N 3.35Å |
| 136 | F | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | -175.4 | -177.3 | -122.5 | 0 | 0 | 0 | 113 | P35 L39 I98 F132 S133 E134 G139 L140 | P35-F136 HydrophobicContact CB-CD1 4.42Å; P35-F136 HydrophobicContact CB-CD2 4.24Å; P35-F136 HydrophobicContact CB-CE1 4.24Å; P35-F136 HydrophobicContact CB-CE2 4.04Å; P35-F136 HydrophobicContact CB-CG 4.42Å; P35-F136 HydrophobicContact CB-CZ 4.03Å; P35-F136 HydrophobicContact CG-CB 4.28Å; P35-F136 HydrophobicContact CG-CD1 3.61Å; P35-F136 HydrophobicContact CG-CD2 4.03Å; P35-F136 HydrophobicContact CG-CE1 3.83Å; P35-F136 HydrophobicContact CG-CE2 4.2Å; P35-F136 HydrophobicContact CG-CG 3.72Å; P35-F136 HydrophobicContact CG-CZ 4.11Å; L39-F136 HydrophobicContact CB-CD2 4.26Å; L39-F136 HydrophobicContact CB-CE2 3.94Å; L39-F136 HydrophobicContact CD2-CD2 4.02Å; L39-F136 HydrophobicContact CD2-CE2 4.04Å; I98-F136 HydrophobicContact CD1-CE2 3.76Å; I98-F136 HydrophobicContact CD1-CZ 3.92Å; I98-F136 HydrophobicContact CG1-CE2 3.8Å; I98-F136 HydrophobicContact CG1-CZ 3.85Å; F132-F136 HydrophobicContact CB-CD1 3.86Å; F132-F136 HydrophobicContact CB-CE1 4.38Å; F132-F136 AromaticContact CD1-CD1 3.65Å; F132-F136 HydrophobicContact CD1-CD1 3.65Å; F132-F136 AromaticContact CD1-CE1 3.47Å; F132-F136 HydrophobicContact CD1-CE1 3.47Å; F132-F136 VanDerWaalsContact CD1-CE1 3.47Å; F132-F136 HydrophobicContact CD2-CE1 4.3Å; F132-F136 HydrophobicContact CE1-CD1 4.33Å; F132-F136 AromaticContact CE1-CE1 3.69Å; F132-F136 HydrophobicContact CE1-CE1 3.69Å; F132-F136 AromaticContact CG-CD1 3.77Å; F132-F136 HydrophobicContact CG-CD1 3.77Å; F132-F136 AromaticContact CG-CE1 3.79Å; F132-F136 HydrophobicContact CG-CE1 3.79Å; F132-F136 HydrophobicContact CZ-CE1 4.21Å; S133-F136 PolarHBondContact O-N 3.47Å; E134-F136 VanDerWaalsContact C-N 3.31Å; F136-G139 PolarHBondContact O-N 3.5Å; F136-L140 HydrophobicContact CD1-CD1 4.1Å; F136-L140 HydrophobicContact CD2-CG 4.29Å; F136-L140 HydrophobicContact CE1-CD1 3.5Å; F136-L140 VanDerWaalsContact CE1-CD1 3.5Å; F136-L140 HydrophobicContact CE1-CG 4.2Å; F136-L140 HydrophobicContact CE2-CD1 4.07Å; F136-L140 HydrophobicContact CE2-CD2 4.11Å; F136-L140 HydrophobicContact CE2-CG 3.89Å; F136-L140 HydrophobicContact CZ-CD1 3.49Å; F136-L140 VanDerWaalsContact CZ-CD1 3.49Å; F136-L140 HydrophobicContact CZ-CD2 4.12Å; F136-L140 HydrophobicContact CZ-CG 3.84Å; F136-L140 PolarHBondContact O-N 3.24Å |
| 137 | R | 98 | Very high | 97.2 | Very high | 86 Ų | 86 | 40 Ų | 40 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54 | -55.3 | 174.4 | 179 | -179.3 | 61.9 | -178.4 | 7.2 | 111.8 | I128 F132 S133 E134 P135 G139 L140 N141 | I128-R137 HydrophobicContact CG2-CG 4.16Å; F132-R137 HydrophobicContact CB-CB 4.3Å; S133-R137 PolarHBondContact O-N 3.21Å; E134-R137 IonicContact OE1-CZ 3.43Å; E134-R137 IonicContact OE1-NE 3.04Å; E134-R137 PolarHBondContact OE1-NE 2.9Å; E134-R137 IonicContact OE1-NH2 3.86Å; E134-R137 PolarHBondContact OE1-NH2 3.36Å; P135-R137 PolarHBondContact O-N 2.66Å; R137-G139 VanDerWaalsContact C-N 3.31Å; R137-G139 PolarHBondContact O-N 2.9Å; R137-L140 PolarHBondContact O-N 3.02Å; R137-N141 WeakPolarHBondContact O-CB 3.3Å; R137-N141 PolarHBondContact O-N 3.05Å |
| 138 | S | 96.1 | Very high | 97 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 178.6 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | E134 P135 N141 T142 | E134-S138 PolarHBondContact OE1-OG 2.94Å; E134-S138 WeakPolarHBondContact OE2-CB 3.5Å; E134-S138 PolarHBondContact OE2-N 2.9Å; E134-S138 PolarHBondContact OE2-OG 3.35Å; P135-S138 PolarHBondContact O-N 3.45Å; S138-N141 PolarHBondContact O-N 3.41Å; S138-T142 WeakPolarHBondContact O-CB 3.44Å; S138-T142 PolarHBondContact O-N 3.05Å; S138-T142 PolarHBondContact O-OG1 3.42Å |
| 139 | G | 97.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | P135 F136 R137 M143 | P135-G139 PolarHBondContact O-N 3.35Å; F136-G139 PolarHBondContact O-N 3.5Å; R137-G139 VanDerWaalsContact C-N 3.31Å; R137-G139 PolarHBondContact O-N 2.9Å; G139-M143 WeakPolarHBondContact O-CB 3.43Å; G139-M143 PolarHBondContact O-N 2.87Å |
| 140 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 177.5 | -74.7 | -178.4 | 0 | 0 | 0 | 112.1 | L39 F97 L101 I128 F132 F136 R137 T142 M143 I144 | L39-L140 HydrophobicContact CD1-CD2 4.06Å; L39-L140 HydrophobicContact CD2-CD2 4.03Å; L39-L140 HydrophobicContact CD2-CG 4.23Å; F97-L140 HydrophobicContact CB-CD1 4.19Å; F97-L140 HydrophobicContact CD1-CD1 4.26Å; F97-L140 HydrophobicContact CG-CD1 4.5Å; L101-L140 HydrophobicContact CD1-CD2 4.32Å; I128-L140 HydrophobicContact CD1-CB 3.99Å; I128-L140 HydrophobicContact CG1-CB 4.4Å; I128-L140 HydrophobicContact CG1-CD1 4.29Å; I128-L140 HydrophobicContact CG2-CB 3.81Å; I128-L140 HydrophobicContact CG2-CD1 4.14Å; F132-L140 HydrophobicContact CD2-CD1 3.91Å; F132-L140 HydrophobicContact CE2-CD1 4.01Å; F132-L140 HydrophobicContact CG-CD1 4.47Å; F136-L140 HydrophobicContact CD1-CD1 4.1Å; F136-L140 HydrophobicContact CD2-CG 4.29Å; F136-L140 HydrophobicContact CE1-CD1 3.5Å; F136-L140 VanDerWaalsContact CE1-CD1 3.5Å; F136-L140 HydrophobicContact CE1-CG 4.2Å; F136-L140 HydrophobicContact CE2-CD1 4.07Å; F136-L140 HydrophobicContact CE2-CD2 4.11Å; F136-L140 HydrophobicContact CE2-CG 3.89Å; F136-L140 HydrophobicContact CZ-CD1 3.49Å; F136-L140 VanDerWaalsContact CZ-CD1 3.49Å; F136-L140 HydrophobicContact CZ-CD2 4.12Å; F136-L140 HydrophobicContact CZ-CG 3.84Å; F136-L140 PolarHBondContact O-N 3.24Å; R137-L140 PolarHBondContact O-N 3.02Å; L140-T142 VanDerWaalsContact C-N 3.34Å; L140-T142 PolarHBondContact O-N 3.04Å; L140-M143 HydrophobicContact CD2-CE 3.66Å; L140-M143 PolarHBondContact O-N 3.36Å; L140-I144 WeakPolarHBondContact O-CG2 3.42Å; L140-I144 PolarHBondContact O-N 3.01Å |
| 141 | N | 97.2 | Very high | 96.8 | Very high | 27 Ų | 27 | 45 Ų | 45 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 178.8 | -79.8 | -14.8 | 0 | 0 | 0 | 111.6 | I128 S129 R137 S138 M143 I144 M145 | I128-N141 WeakPolarHBondContact CB-OD1 3.31Å; I128-N141 WeakPolarHBondContact CG2-OD1 3.21Å; S129-N141 PolarHBondContact OG-ND2 3.4Å; S129-N141 VanDerWaalsContact OG-ND2 3.11Å; R137-N141 WeakPolarHBondContact O-CB 3.3Å; R137-N141 PolarHBondContact O-N 3.05Å; S138-N141 PolarHBondContact O-N 3.41Å; N141-M143 PolarHBondContact O-N 3.49Å; N141-I144 WeakPolarHBondContact O-CG2 3.44Å; N141-M145 WeakPolarHBondContact O-CB 3.46Å; N141-M145 WeakPolarHBondContact O-CG 3.49Å; N141-M145 PolarHBondContact O-N 3.03Å |
| 142 | T | 97 | Very high | 96.7 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | S138 L140 A146 L153 | S138-T142 WeakPolarHBondContact O-CB 3.44Å; S138-T142 PolarHBondContact O-N 3.05Å; S138-T142 PolarHBondContact O-OG1 3.42Å; L140-T142 VanDerWaalsContact C-N 3.34Å; L140-T142 PolarHBondContact O-N 3.04Å; T142-A146 VanDerWaalsContact O-CB 3.23Å; T142-A146 WeakPolarHBondContact O-CB 3.34Å; T142-A146 PolarHBondContact O-N 2.6Å; T142-L153 HydrophobicContact CG2-CD1 4.4Å; T142-L153 HydrophobicContact CG2-CD2 4.02Å; T142-L153 WeakPolarHBondContact O-CD2 3.3Å |
| 143 | M | 96.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -50.9 | 179.2 | 174 | -175.9 | 52.7 | 0 | 0 | 112.1 | L39 L43 L101 T102 G139 L140 N141 A146 L147 | L39-M143 HydrophobicContact CD1-CE 3.86Å; L39-M143 HydrophobicContact CD1-SD 4.09Å; L43-M143 HydrophobicContact CD2-CG 4.29Å; L43-M143 HydrophobicContact CD2-SD 3.75Å; L101-M143 HydrophobicContact CB-CE 3.31Å; L101-M143 HydrophobicContact CB-SD 4.24Å; L101-M143 HydrophobicContact CD1-CE 4.09Å; L101-M143 HydrophobicContact CG-CE 4.36Å; L101-M143 VanDerWaalsContact O-SD 3.37Å; T102-M143 HydrophobicContact CG2-CE 4.3Å; T102-M143 HydrophobicContact CG2-SD 3.72Å; G139-M143 WeakPolarHBondContact O-CB 3.43Å; G139-M143 PolarHBondContact O-N 2.87Å; L140-M143 HydrophobicContact CD2-CE 3.66Å; L140-M143 PolarHBondContact O-N 3.36Å; N141-M143 PolarHBondContact O-N 3.49Å; M143-A146 PolarHBondContact O-N 2.64Å; M143-L147 WeakPolarHBondContact O-CG 3.21Å; M143-L147 PolarHBondContact O-N 2.86Å |
| 144 | I | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | -176.9 | -165.2 | 168.1 | 0 | 0 | 0 | 111.3 | L101 V109 W113 I124 V125 I128 L140 N141 A146 L147 M148 | L101-I144 HydrophobicContact CD1-CD1 4.44Å; L101-I144 HydrophobicContact CD2-CD1 3.99Å; V109-I144 HydrophobicContact CG1-CD1 4.45Å; V109-I144 HydrophobicContact CG1-CG1 4.1Å; W113-I144 HydrophobicContact CE3-CD1 3.65Å; W113-I144 HydrophobicContact CE3-CG1 4Å; W113-I144 HydrophobicContact CZ3-CD1 3.85Å; W113-I144 HydrophobicContact CZ3-CG1 4.1Å; W113-I144 HydrophobicContact CZ3-CG2 4.36Å; I124-I144 HydrophobicContact CB-CD1 3.91Å; I124-I144 HydrophobicContact CD1-CD1 4.02Å; I124-I144 HydrophobicContact CG2-CD1 3.55Å; V125-I144 HydrophobicContact CG2-CG2 3.99Å; I128-I144 HydrophobicContact CD1-CG2 4.35Å; L140-I144 WeakPolarHBondContact O-CG2 3.42Å; L140-I144 PolarHBondContact O-N 3.01Å; N141-I144 WeakPolarHBondContact O-CG2 3.44Å; I144-A146 VanDerWaalsContact C-N 3.34Å; I144-A146 PolarHBondContact O-N 3.43Å; I144-L147 WeakPolarHBondContact O-CB 2.99Å; I144-L147 PolarHBondContact O-N 3.26Å; I144-L147 VanDerWaalsContact O-N 3.13Å; I144-M148 HydrophobicContact CG1-CG 4.34Å; I144-M148 WeakPolarHBondContact O-CG 3.12Å; I144-M148 PolarHBondContact O-N 3.42Å |
| 145 | M | 96.7 | Very high | 96.7 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 177.5 | -70.4 | -63.2 | -63.5 | 0 | 0 | 112 | W113 V125 N141 L147 M148 D149 L152 L153 | W113-M145 HydrophobicContact CH2-SD 4.17Å; V125-M145 HydrophobicContact CG2-CG 4.07Å; V125-M145 HydrophobicContact CG2-SD 3.92Å; N141-M145 WeakPolarHBondContact O-CB 3.46Å; N141-M145 WeakPolarHBondContact O-CG 3.49Å; N141-M145 PolarHBondContact O-N 3.03Å; M145-L147 PolarHBondContact O-N 3.34Å; M145-M148 PolarHBondContact O-N 3.37Å; M145-D149 CarbonylContact O-C 3.59Å; M145-D149 PolarHBondContact O-N 3.31Å; M145-L152 HydrophobicContact CE-CB 4.35Å; M145-L152 HydrophobicContact CE-CD2 3.89Å; M145-L152 HydrophobicContact CE-CG 4.02Å; M145-L153 HydrophobicContact CB-CB 3.97Å; M145-L153 HydrophobicContact CB-CD1 4.02Å; M145-L153 HydrophobicContact CB-CD2 4.3Å; M145-L153 HydrophobicContact CB-CG 4.32Å |
| 146 | A | 96 | Very high | 96.7 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62 | -28.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T142 M143 I144 L153 | T142-A146 VanDerWaalsContact O-CB 3.23Å; T142-A146 WeakPolarHBondContact O-CB 3.34Å; T142-A146 PolarHBondContact O-N 2.6Å; M143-A146 PolarHBondContact O-N 2.64Å; I144-A146 VanDerWaalsContact C-N 3.34Å; I144-A146 PolarHBondContact O-N 3.43Å; A146-L153 HydrophobicContact CB-CD2 3.78Å |
| 147 | L | 94.8 | Very high | 96.7 | Very high | 28 Ų | 28 | 39 Ų | 39 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80 | -37.4 | 174.9 | -64.3 | 171 | 0 | 0 | 0 | 112.2 | K106 V109 M143 I144 M145 | K106-L147 HydrophobicContact CB-CD2 4.32Å; K106-L147 WeakPolarHBondContact CE-O 3.14Å; K106-L147 HydrophobicContact CG-CD2 4.31Å; V109-L147 HydrophobicContact CB-CD1 4.24Å; V109-L147 HydrophobicContact CG1-CD1 4.02Å; V109-L147 HydrophobicContact CG2-CD1 4.13Å; M143-L147 WeakPolarHBondContact O-CG 3.21Å; M143-L147 PolarHBondContact O-N 2.86Å; I144-L147 WeakPolarHBondContact O-CB 2.99Å; I144-L147 PolarHBondContact O-N 3.26Å; I144-L147 VanDerWaalsContact O-N 3.13Å; M145-L147 PolarHBondContact O-N 3.34Å |
| 148 | M | 94 | Very high | 96.7 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 21% | 0.207 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -87.4 | -51.6 | -172.9 | -62.1 | -58.6 | 86 | 0 | 0 | 113 | V109 K110 W113 I144 M145 | V109-M148 HydrophobicContact CB-CE 4.35Å; V109-M148 HydrophobicContact CG1-CE 4.02Å; K110-M148 VanDerWaalsContact CA-SD 3.6Å; K110-M148 HydrophobicContact CB-CE 3.8Å; K110-M148 HydrophobicContact CB-SD 4Å; K110-M148 HydrophobicContact CD-CE 4.32Å; K110-M148 HydrophobicContact CD-SD 3.6Å; K110-M148 HydrophobicContact CG-SD 4.41Å; W113-M148 HydrophobicContact CB-SD 3.85Å; W113-M148 HydrophobicContact CD2-CG 4.11Å; W113-M148 HydrophobicContact CD2-SD 4.44Å; W113-M148 HydrophobicContact CE3-CG 4Å; W113-M148 HydrophobicContact CG-CG 4.36Å; W113-M148 HydrophobicContact CG-SD 4.08Å; I144-M148 HydrophobicContact CG1-CG 4.34Å; I144-M148 WeakPolarHBondContact O-CG 3.12Å; I144-M148 PolarHBondContact O-N 3.42Å; M145-M148 PolarHBondContact O-N 3.37Å |
| 149 | D | 94.4 | Very high | 96.8 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | trans | -152.6 | 89.5 | -179.8 | -168 | -22.2 | 0 | 0 | 0 | 110.6 | M145 R151 L152 L153 | M145-D149 CarbonylContact O-C 3.59Å; M145-D149 PolarHBondContact O-N 3.31Å; D149-R151 VanDerWaalsContact C-N 3.27Å; D149-R151 PolarHBondContact O-N 2.96Å; D149-R151 PolarHBondContact OD1-N 3.3Å; D149-R151 VanDerWaalsContact OD1-N 3.09Å; D149-L152 HydrophobicContact CB-CB 3.89Å; D149-L152 PolarHBondContact O-N 3.06Å; D149-L152 PolarHBondContact OD1-N 3.38Å; D149-L152 WeakPolarHBondContact OD2-CB 3.43Å; D149-L153 PolarHBondContact O-N 2.78Å | ||
| 150 | L | 96.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 41% | 0.414 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60 | -36.6 | 178.1 | 177.8 | 61.7 | 0 | 0 | 0 | 112 | L153 L154 | L150-L153 HydrophobicContact CD1-CD2 4.34Å; L150-L153 WeakPolarHBondContact O-CB 3.24Å; L150-L153 PolarHBondContact O-N 2.6Å; L150-L154 HydrophobicContact CD1-CD1 4.26Å; L150-L154 HydrophobicContact CD1-CG 4.17Å; L150-L154 HydrophobicContact CG-CD1 4.09Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 VanDerWaalsContact O-CG 3.22Å; L150-L154 WeakPolarHBondContact O-CG 3.34Å; L150-L154 PolarHBondContact O-N 3.38Å |
| 151 | R | 97.5 | Very high | 96.7 | Very high | 120 Ų | 120 | 39.4 Ų | 39.4 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.1 | -43 | -176.6 | -65.5 | -172.7 | -177.2 | 110.8 | -2.6 | 110.6 | D149 L153 L154 V155 D183 L187 M190 | D149-R151 VanDerWaalsContact C-N 3.27Å; D149-R151 PolarHBondContact O-N 2.96Å; D149-R151 PolarHBondContact OD1-N 3.3Å; D149-R151 VanDerWaalsContact OD1-N 3.09Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 2.87Å; R151-L154 PolarHBondContact O-N 3.47Å; R151-V155 WeakPolarHBondContact O-CB 3.34Å; R151-V155 VanDerWaalsContact O-CG2 3.28Å; R151-V155 WeakPolarHBondContact O-CG2 3.3Å; R151-V155 PolarHBondContact O-N 3.26Å; R151-D183 IonicContact NE-OD2 3.97Å; R151-D183 PolarHBondContact NE-OD2 2.61Å; R151-D183 VanDerWaalsContact NE-OD2 3.08Å; R151-L187 HydrophobicContact CB-CD2 3.95Å; R151-L187 HydrophobicContact CG-CD2 4.21Å; R151-M190 HydrophobicContact CB-CE 3.98Å; R151-M190 HydrophobicContact CB-SD 3.66Å |
| 152 | L | 96.2 | Very high | 96.7 | Very high | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 173.8 | -177.5 | 56.3 | 0 | 0 | 0 | 111.5 | M145 D149 L154 V155 C156 M190 Y194 | M145-L152 HydrophobicContact CE-CB 4.35Å; M145-L152 HydrophobicContact CE-CD2 3.89Å; M145-L152 HydrophobicContact CE-CG 4.02Å; D149-L152 HydrophobicContact CB-CB 3.89Å; D149-L152 PolarHBondContact O-N 3.06Å; D149-L152 PolarHBondContact OD1-N 3.38Å; D149-L152 WeakPolarHBondContact OD2-CB 3.43Å; L152-L154 PolarHBondContact O-N 2.63Å; L152-V155 PolarHBondContact O-N 2.71Å; L152-C156 WeakPolarHBondContact O-CB 3.34Å; L152-C156 PolarHBondContact O-N 2.94Å; L152-C156 PolarHBondContact O-SG 3.43Å; L152-M190 HydrophobicContact CB-CE 4.07Å; L152-Y194 HydrophobicContact CD1-CD1 4.46Å; L152-Y194 HydrophobicContact CD1-CD2 3.93Å; L152-Y194 HydrophobicContact CD1-CE1 4.11Å; L152-Y194 HydrophobicContact CD1-CE2 3.56Å; L152-Y194 HydrophobicContact CD1-CG 4.38Å |
| 153 | L | 97.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.5 | -50.7 | 172.8 | 173.8 | 60.4 | 0 | 0 | 0 | 111.9 | T142 M145 A146 D149 L150 R151 V155 C156 Q157 | T142-L153 HydrophobicContact CG2-CD1 4.4Å; T142-L153 HydrophobicContact CG2-CD2 4.02Å; T142-L153 WeakPolarHBondContact O-CD2 3.3Å; M145-L153 HydrophobicContact CB-CB 3.97Å; M145-L153 HydrophobicContact CB-CD1 4.02Å; M145-L153 HydrophobicContact CB-CD2 4.3Å; M145-L153 HydrophobicContact CB-CG 4.32Å; A146-L153 HydrophobicContact CB-CD2 3.78Å; D149-L153 PolarHBondContact O-N 2.78Å; L150-L153 HydrophobicContact CD1-CD2 4.34Å; L150-L153 WeakPolarHBondContact O-CB 3.24Å; L150-L153 PolarHBondContact O-N 2.6Å; R151-L153 VanDerWaalsContact C-N 3.33Å; R151-L153 PolarHBondContact O-N 2.87Å; L153-V155 VanDerWaalsContact C-N 3.35Å; L153-V155 PolarHBondContact O-N 3.48Å; L153-C156 PolarHBondContact O-N 2.84Å; L153-Q157 HydrophobicContact CD1-CG 4.16Å; L153-Q157 WeakPolarHBondContact O-CG 3.43Å; L153-Q157 PolarHBondContact O-N 3.28Å |
| 154 | L | 98.2 | Very high | 96.3 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -178.5 | -66.5 | 172.6 | 0 | 0 | 0 | 111.8 | L150 R151 L152 Q157 L158 I175 R179 L187 | L150-L154 HydrophobicContact CD1-CD1 4.26Å; L150-L154 HydrophobicContact CD1-CG 4.17Å; L150-L154 HydrophobicContact CG-CD1 4.09Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 VanDerWaalsContact O-CG 3.22Å; L150-L154 WeakPolarHBondContact O-CG 3.34Å; L150-L154 PolarHBondContact O-N 3.38Å; R151-L154 PolarHBondContact O-N 3.47Å; L152-L154 PolarHBondContact O-N 2.63Å; L154-Q157 PolarHBondContact O-N 2.87Å; L154-L158 WeakPolarHBondContact O-CG 3.3Å; L154-L158 PolarHBondContact O-N 3.35Å; L154-I175 HydrophobicContact CB-CG2 4.37Å; L154-I175 HydrophobicContact CD2-CD1 4.21Å; L154-I175 HydrophobicContact CD2-CG1 4.1Å; L154-I175 HydrophobicContact CD2-CG2 4.32Å; L154-R179 HydrophobicContact CD1-CG 4.08Å; L154-L187 HydrophobicContact CB-CD1 4.44Å; L154-L187 HydrophobicContact CB-CD2 4.35Å; L154-L187 HydrophobicContact CD1-CD1 4.46Å |
| 155 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.4 | 166.3 | 0 | 0 | 0 | 0 | 111.3 | R151 L152 L153 Q157 L158 Y159 L187 M190 Y191 Y194 F195 | R151-V155 WeakPolarHBondContact O-CB 3.34Å; R151-V155 VanDerWaalsContact O-CG2 3.28Å; R151-V155 WeakPolarHBondContact O-CG2 3.3Å; R151-V155 PolarHBondContact O-N 3.26Å; L152-V155 PolarHBondContact O-N 2.71Å; L153-V155 VanDerWaalsContact C-N 3.35Å; L153-V155 PolarHBondContact O-N 3.48Å; V155-Q157 PolarHBondContact O-N 2.98Å; V155-L158 PolarHBondContact O-N 3.37Å; V155-Y159 PolarHBondContact O-N 2.94Å; V155-L187 HydrophobicContact CG2-CB 4.21Å; V155-L187 HydrophobicContact CG2-CD2 3.99Å; V155-M190 HydrophobicContact CG1-CB 4.48Å; V155-M190 HydrophobicContact CG2-CB 3.76Å; V155-Y191 HydrophobicContact CG1-CD2 4.23Å; V155-Y194 HydrophobicContact CG1-CD2 4.49Å; V155-F195 HydrophobicContact CG1-CD2 4.32Å; V155-F195 HydrophobicContact CG1-CE2 3.61Å |
| 156 | C | 96.6 | Very high | 95.6 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 37% | 0.372 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 174.7 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | L152 L153 Y159 D160 | L152-C156 WeakPolarHBondContact O-CB 3.34Å; L152-C156 PolarHBondContact O-N 2.94Å; L152-C156 PolarHBondContact O-SG 3.43Å; L153-C156 PolarHBondContact O-N 2.84Å; C156-Y159 PolarHBondContact O-N 3.01Å; C156-D160 VanDerWaalsContact O-CB 3.28Å; C156-D160 WeakPolarHBondContact O-CB 3.39Å; C156-D160 PolarHBondContact O-N 3.04Å |
| 157 | Q | 97.5 | Very high | 95.5 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 176.9 | -74.1 | -180 | -29.5 | 0 | 0 | 112.7 | L153 L154 V155 S161 T171 I175 | L153-Q157 HydrophobicContact CD1-CG 4.16Å; L153-Q157 WeakPolarHBondContact O-CG 3.43Å; L153-Q157 PolarHBondContact O-N 3.28Å; L154-Q157 PolarHBondContact O-N 2.87Å; V155-Q157 PolarHBondContact O-N 2.98Å; Q157-S161 VanDerWaalsContact O-CB 3.3Å; Q157-S161 WeakPolarHBondContact O-CB 3.43Å; Q157-S161 PolarHBondContact O-N 3.02Å; Q157-T171 HydrophobicContact CB-CG2 4.18Å; Q157-I175 HydrophobicContact CB-CD1 3.48Å; Q157-I175 VanDerWaalsContact CB-CD1 3.48Å |
| 158 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 171.4 | -76.5 | 167 | 0 | 0 | 0 | 110.5 | L154 V155 S161 M162 L172 I175 Y191 L199 | L154-L158 WeakPolarHBondContact O-CG 3.3Å; L154-L158 PolarHBondContact O-N 3.35Å; V155-L158 PolarHBondContact O-N 3.37Å; L158-S161 PolarHBondContact O-N 3.44Å; L158-S161 PolarHBondContact O-OG 3.26Å; L158-M162 WeakPolarHBondContact O-CE 3.2Å; L158-M162 PolarHBondContact O-N 3.36Å; L158-L172 HydrophobicContact CD2-CD1 3.77Å; L158-I175 HydrophobicContact CD1-CG2 3.97Å; L158-I175 HydrophobicContact CD2-CB 3.97Å; L158-I175 HydrophobicContact CD2-CD1 4.41Å; L158-I175 HydrophobicContact CD2-CG2 3.82Å; L158-I175 HydrophobicContact CG-CB 4.34Å; L158-I175 HydrophobicContact CG-CD1 4.19Å; L158-I175 HydrophobicContact CG-CG2 3.82Å; L158-Y191 HydrophobicContact CB-CD2 4.19Å; L158-Y191 HydrophobicContact CB-CE2 4.11Å; L158-L199 HydrophobicContact CB-CD1 4.33Å; L158-L199 HydrophobicContact CD1-CD1 4.32Å; L158-L199 HydrophobicContact CD1-CD2 3.87Å |
| 159 | Y | 97.9 | Very high | 95.6 | Very high | 84 Ų | 84 | 62.9 Ų | 62.9 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -50.7 | 178.1 | 177 | -89.6 | 0 | 0 | 0 | 111.4 | V155 C156 S161 M162 Y163 Y191 F195 | V155-Y159 PolarHBondContact O-N 2.94Å; C156-Y159 PolarHBondContact O-N 3.01Å; Y159-S161 PolarHBondContact O-N 3.25Å; Y159-M162 CarbonylContact O-C 3.53Å; Y159-M162 PolarHBondContact O-N 3.27Å; Y159-Y163 AromaticContact CE1-CD2 3.59Å; Y159-Y163 HydrophobicContact CE1-CD2 3.59Å; Y159-Y163 HydrophobicContact CE1-CE2 4.3Å; Y159-Y163 AromaticContact CE1-CG 4Å; Y159-Y163 HydrophobicContact CE1-CG 4Å; Y159-Y163 AromaticContact CZ-CD2 3.64Å; Y159-Y163 WeakPolarHBondContact O-CB 3.24Å; Y159-Y163 PolarHBondContact O-N 2.97Å; Y159-Y163 VanDerWaalsContact OH-CD2 3.3Å; Y159-Y163 WeakPolarHBondContact OH-CD2 3.29Å; Y159-Y163 WeakPolarHBondContact OH-CE2 2.99Å; Y159-Y191 HydrophobicContact CD2-CE2 4.45Å; Y159-F195 VanDerWaalsContact CB-CE2 3.4Å; Y159-F195 VanDerWaalsContact CB-CZ 3.45Å; Y159-F195 HydrophobicContact CD1-CD1 4.36Å; Y159-F195 AromaticContact CD1-CE1 3.89Å; Y159-F195 HydrophobicContact CD1-CE1 3.89Å; Y159-F195 HydrophobicContact CD1-CZ 4.14Å; Y159-F195 HydrophobicContact CD2-CB 3.97Å; Y159-F195 AromaticContact CD2-CD1 3.33Å; Y159-F195 HydrophobicContact CD2-CD1 3.33Å; Y159-F195 AromaticContact CD2-CD2 3.71Å; Y159-F195 HydrophobicContact CD2-CD2 3.71Å; Y159-F195 AromaticContact CD2-CE1 3.63Å; Y159-F195 HydrophobicContact CD2-CE1 3.63Å; Y159-F195 AromaticContact CD2-CE2 3.97Å; Y159-F195 HydrophobicContact CD2-CE2 3.97Å; Y159-F195 AromaticContact CD2-CG 3.37Å; Y159-F195 HydrophobicContact CD2-CG 3.37Å; Y159-F195 AromaticContact CD2-CZ 3.95Å; Y159-F195 HydrophobicContact CD2-CZ 3.95Å; Y159-F195 HydrophobicContact CE1-CE1 4.29Å; Y159-F195 HydrophobicContact CE2-CB 4.14Å; Y159-F195 AromaticContact CE2-CD1 3.51Å; Y159-F195 HydrophobicContact CE2-CD1 3.51Å; Y159-F195 HydrophobicContact CE2-CE1 4.04Å; Y159-F195 AromaticContact CE2-CG 3.84Å; Y159-F195 HydrophobicContact CE2-CG 3.84Å; Y159-F195 AromaticContact CG-CD1 3.79Å; Y159-F195 HydrophobicContact CG-CD1 3.79Å; Y159-F195 HydrophobicContact CG-CD2 4.08Å; Y159-F195 AromaticContact CG-CE1 3.54Å; Y159-F195 HydrophobicContact CG-CE1 3.54Å; Y159-F195 AromaticContact CG-CE2 3.84Å; Y159-F195 HydrophobicContact CG-CE2 3.84Å; Y159-F195 HydrophobicContact CG-CG 4.05Å; Y159-F195 AromaticContact CG-CZ 3.58Å; Y159-F195 HydrophobicContact CG-CZ 3.58Å |
| 160 | D | 95.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -24.9 | 178.9 | -177.1 | 51.7 | 0 | 0 | 0 | 112.4 | C156 M162 R168 | C156-D160 VanDerWaalsContact O-CB 3.28Å; C156-D160 WeakPolarHBondContact O-CB 3.39Å; C156-D160 PolarHBondContact O-N 3.04Å; D160-M162 VanDerWaalsContact C-N 3.29Å; D160-M162 PolarHBondContact O-N 3.36Å; D160-R168 PolarHBondContact O-NH1 3.43Å; D160-R168 IonicContact OD1-CZ 2.92Å; D160-R168 IonicContact OD1-NH1 2.78Å; D160-R168 PolarHBondContact OD1-NH1 3.04Å; D160-R168 IonicContact OD1-NH2 2.92Å; D160-R168 IonicContact OD2-CZ 3.64Å; D160-R168 IonicContact OD2-NH1 3.16Å; D160-R168 PolarHBondContact OD2-NH1 3.12Å |
| 161 | S | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.9 | -21.9 | 174.8 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | Q157 L158 Y159 T167 R168 | Q157-S161 VanDerWaalsContact O-CB 3.3Å; Q157-S161 WeakPolarHBondContact O-CB 3.43Å; Q157-S161 PolarHBondContact O-N 3.02Å; L158-S161 PolarHBondContact O-N 3.44Å; L158-S161 PolarHBondContact O-OG 3.26Å; Y159-S161 PolarHBondContact O-N 3.25Å; S161-T167 CarbonylContact O-C 3.6Å; S161-T167 WeakPolarHBondContact O-CA 3.37Å; S161-R168 PolarHBondContact O-N 3.34Å |
| 162 | M | 97.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 12.5 | -179.6 | -59.6 | 174.8 | -73.7 | 0 | 0 | 111.8 | L158 Y159 D160 L172 Y191 L199 A202 V203 D206 | L158-M162 WeakPolarHBondContact O-CE 3.2Å; L158-M162 PolarHBondContact O-N 3.36Å; Y159-M162 CarbonylContact O-C 3.53Å; Y159-M162 PolarHBondContact O-N 3.27Å; D160-M162 VanDerWaalsContact C-N 3.29Å; D160-M162 PolarHBondContact O-N 3.36Å; M162-L172 HydrophobicContact CG-CD2 4.23Å; M162-L172 HydrophobicContact SD-CD1 4.35Å; M162-L172 HydrophobicContact SD-CD2 4.4Å; M162-Y191 HydrophobicContact CE-CE2 4.02Å; M162-Y191 WeakPolarHBondContact CE-OH 3.45Å; M162-L199 HydrophobicContact CE-CD1 3.68Å; M162-A202 HydrophobicContact CE-CB 3.85Å; M162-A202 HydrophobicContact SD-CB 3.99Å; M162-V203 HydrophobicContact CE-CG2 4.31Å; M162-V203 HydrophobicContact SD-CB 4.37Å; M162-V203 HydrophobicContact SD-CG2 3.61Å; M162-D206 WeakPolarHBondContact CA-OD2 3.22Å; M162-D206 HydrophobicContact CB-CB 4.02Å; M162-D206 WeakPolarHBondContact CB-OD2 3.46Å; M162-D206 HydrophobicContact CG-CB 4.03Å; M162-D206 WeakPolarHBondContact CG-OD2 3.45Å; M162-D206 HydrophobicContact SD-CB 4.33Å |
| 163 | Y | 93.9 | Very high | 95.8 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -92.7 | 121 | -179.2 | -177.6 | -98.6 | 0 | 0 | 0 | 110.7 | Y159 | Y159-Y163 AromaticContact CE1-CD2 3.59Å; Y159-Y163 HydrophobicContact CE1-CD2 3.59Å; Y159-Y163 HydrophobicContact CE1-CE2 4.3Å; Y159-Y163 AromaticContact CE1-CG 4Å; Y159-Y163 HydrophobicContact CE1-CG 4Å; Y159-Y163 AromaticContact CZ-CD2 3.64Å; Y159-Y163 WeakPolarHBondContact O-CB 3.24Å; Y159-Y163 PolarHBondContact O-N 2.97Å; Y159-Y163 VanDerWaalsContact OH-CD2 3.3Å; Y159-Y163 WeakPolarHBondContact OH-CD2 3.29Å; Y159-Y163 WeakPolarHBondContact OH-CE2 2.99Å |
| 164 | G | 92 | Very high | 95.9 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 54% | 0.536 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 99.7 | -149.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 165 | L | 87.6 | Confident | 95.8 | Very high | 188 Ų | 188 | 63.2 Ų | 63.2 | 98% | 0.984 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -87.8 | 126.4 | 178.4 | -67 | 178.7 | 0 | 0 | 0 | 110.5 | ||
| 166 | G | 90.9 | Very high | 95.8 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 55% | 0.546 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 75.1 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 167 | T | 93.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | trans | -122 | 136 | -173.5 | -47.1 | 0 | 0 | 0 | 0 | 109.7 | S161 E169 L172 D206 T207 | S161-T167 CarbonylContact O-C 3.6Å; S161-T167 WeakPolarHBondContact O-CA 3.37Å; T167-E169 HydrophobicContact CG2-CG 4.11Å; T167-E169 PolarHBondContact O-N 2.97Å; T167-L172 HydrophobicContact CG2-CB 4.49Å; T167-L172 HydrophobicContact CG2-CD2 3.74Å; T167-D206 WeakPolarHBondContact CB-OD2 3.36Å; T167-D206 WeakPolarHBondContact CG2-OD2 3.46Å; T167-D206 PolarHBondContact OG1-O 3.01Å; T167-D206 PolarHBondContact OG1-OD2 3.42Å; T167-T207 HydrophobicContact CG2-CG2 4.46Å | ||
| 168 | R | 95.2 | Very high | 95.8 | Very high | 133 Ų | 133 | 67.1 Ų | 67.1 | 50% | 0.502 | 35% | 0.35 | S | S | . | . | trans | -80.9 | 71.7 | 166.6 | -57.3 | -171.9 | -176.2 | 125.6 | -6.5 | 109.1 | D160 S161 D170 T171 L172 | D160-R168 PolarHBondContact O-NH1 3.43Å; D160-R168 IonicContact OD1-CZ 2.92Å; D160-R168 IonicContact OD1-NH1 2.78Å; D160-R168 PolarHBondContact OD1-NH1 3.04Å; D160-R168 IonicContact OD1-NH2 2.92Å; D160-R168 IonicContact OD2-CZ 3.64Å; D160-R168 IonicContact OD2-NH1 3.16Å; D160-R168 PolarHBondContact OD2-NH1 3.12Å; S161-R168 PolarHBondContact O-N 3.34Å; R168-D170 VanDerWaalsContact C-N 3.27Å; R168-D170 PolarHBondContact O-N 2.68Å; R168-T171 PolarHBondContact O-N 3.2Å; R168-L172 PolarHBondContact O-N 2.81Å | ||
| 169 | E | 96 | Very high | 95.8 | Very high | 100 Ų | 100 | 69.5 Ų | 69.5 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -51 | -43.5 | -170.6 | -64.7 | -175.4 | 164.4 | 0 | 0 | 112.5 | T167 T171 L172 I173 F211 | T167-E169 HydrophobicContact CG2-CG 4.11Å; T167-E169 PolarHBondContact O-N 2.97Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 2.81Å; E169-L172 PolarHBondContact O-N 2.73Å; E169-L172 VanDerWaalsContact O-N 3.13Å; E169-I173 HydrophobicContact CB-CD1 4.19Å; E169-I173 VanDerWaalsContact O-CB 3.31Å; E169-I173 WeakPolarHBondContact O-CB 3.04Å; E169-I173 WeakPolarHBondContact O-CG1 3.07Å; E169-I173 PolarHBondContact O-N 2.77Å; E169-F211 HydrophobicContact CB-CE1 4.49Å; E169-F211 HydrophobicContact CB-CZ 4.18Å; E169-F211 HydrophobicContact CG-CE1 3.88Å; E169-F211 HydrophobicContact CG-CZ 4.08Å |
| 170 | D | 96.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 67.1 Ų | 67.1 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -55 | -39.9 | 178.2 | -70.9 | -19.1 | 0 | 0 | 0 | 113.3 | R168 R174 | R168-D170 VanDerWaalsContact C-N 3.27Å; R168-D170 PolarHBondContact O-N 2.68Å; D170-R174 WeakPolarHBondContact O-CB 3.2Å; D170-R174 PolarHBondContact O-N 3.13Å; D170-R174 PolarHBondContact O-NH1 2.97Å; D170-R174 VanDerWaalsContact O-NH1 3.12Å |
| 171 | T | 96.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 72.3 Ų | 72.3 | 17% | 0.172 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.8 | -43.9 | 178.6 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | Q157 R168 E169 R174 I175 | Q157-T171 HydrophobicContact CB-CG2 4.18Å; R168-T171 PolarHBondContact O-N 3.2Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 2.81Å; T171-R174 PolarHBondContact O-N 3.17Å; T171-R174 PolarHBondContact OG1-NH2 3.19Å; T171-I175 HydrophobicContact CG2-CD1 3.79Å; T171-I175 HydrophobicContact CG2-CG1 4.49Å; T171-I175 WeakPolarHBondContact O-CG1 3.31Å; T171-I175 PolarHBondContact O-N 2.74Å |
| 172 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 178.2 | -178.3 | 56.3 | 0 | 0 | 0 | 111.4 | L158 M162 T167 R168 E169 T176 V203 T207 L215 | L158-L172 HydrophobicContact CD2-CD1 3.77Å; M162-L172 HydrophobicContact CG-CD2 4.23Å; M162-L172 HydrophobicContact SD-CD1 4.35Å; M162-L172 HydrophobicContact SD-CD2 4.4Å; T167-L172 HydrophobicContact CG2-CB 4.49Å; T167-L172 HydrophobicContact CG2-CD2 3.74Å; R168-L172 PolarHBondContact O-N 2.81Å; E169-L172 PolarHBondContact O-N 2.73Å; E169-L172 VanDerWaalsContact O-N 3.13Å; L172-T176 VanDerWaalsContact O-CB 3.23Å; L172-T176 WeakPolarHBondContact O-CB 3.49Å; L172-T176 PolarHBondContact O-N 2.76Å; L172-T176 PolarHBondContact O-OG1 3.47Å; L172-V203 HydrophobicContact CD1-CG2 4.04Å; L172-T207 HydrophobicContact CD2-CG2 3.85Å; L172-L215 HydrophobicContact CD2-CD1 3.64Å; L172-L215 HydrophobicContact CG-CD1 4.01Å |
| 173 | I | 98 | Very high | 95.7 | Very high | 63 Ų | 63 | 76.6 Ų | 76.6 | 32% | 0.323 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.9 | -53.9 | 176 | -68.6 | 165.7 | 0 | 0 | 0 | 109.9 | E169 I175 T176 C177 F211 | E169-I173 HydrophobicContact CB-CD1 4.19Å; E169-I173 VanDerWaalsContact O-CB 3.31Å; E169-I173 WeakPolarHBondContact O-CB 3.04Å; E169-I173 WeakPolarHBondContact O-CG1 3.07Å; E169-I173 PolarHBondContact O-N 2.77Å; I173-I175 VanDerWaalsContact C-N 3.35Å; I173-I175 PolarHBondContact O-N 2.83Å; I173-T176 PolarHBondContact O-N 3.22Å; I173-C177 WeakPolarHBondContact O-CB 3.46Å; I173-C177 PolarHBondContact O-N 3.22Å; I173-C177 PolarHBondContact O-SG 3.47Å; I173-C177 VanDerWaalsContact O-SG 3.36Å; I173-F211 HydrophobicContact CD1-CE2 3.73Å; I173-F211 HydrophobicContact CD1-CZ 4.01Å; I173-F211 HydrophobicContact CG1-CE2 3.59Å; I173-F211 HydrophobicContact CG1-CZ 3.82Å |
| 174 | R | 97.6 | Very high | 95.9 | Very high | 113 Ų | 113 | 69.7 Ų | 69.7 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.8 | -46.9 | -175.5 | 179.3 | 173.9 | 62.6 | -102.6 | -1.9 | 111.7 | D170 T171 L178 | D170-R174 WeakPolarHBondContact O-CB 3.2Å; D170-R174 PolarHBondContact O-N 3.13Å; D170-R174 PolarHBondContact O-NH1 2.97Å; D170-R174 VanDerWaalsContact O-NH1 3.12Å; T171-R174 PolarHBondContact O-N 3.17Å; T171-R174 PolarHBondContact OG1-NH2 3.19Å; R174-L178 HydrophobicContact CG-CD1 3.7Å; R174-L178 VanDerWaalsContact O-CB 3.22Å; R174-L178 WeakPolarHBondContact O-CB 3.34Å; R174-L178 WeakPolarHBondContact O-CD1 3.38Å; R174-L178 WeakPolarHBondContact O-CG 3.46Å; R174-L178 PolarHBondContact O-N 3.05Å; R174-L178 VanDerWaalsContact O-N 3.08Å |
| 175 | I | 98 | Very high | 96.1 | Very high | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -43.5 | -179.6 | -61.9 | 172.8 | 0 | 0 | 0 | 110.4 | L154 Q157 L158 T171 I173 L178 R179 L187 | L154-I175 HydrophobicContact CB-CG2 4.37Å; L154-I175 HydrophobicContact CD2-CD1 4.21Å; L154-I175 HydrophobicContact CD2-CG1 4.1Å; L154-I175 HydrophobicContact CD2-CG2 4.32Å; Q157-I175 HydrophobicContact CB-CD1 3.48Å; Q157-I175 VanDerWaalsContact CB-CD1 3.48Å; L158-I175 HydrophobicContact CD1-CG2 3.97Å; L158-I175 HydrophobicContact CD2-CB 3.97Å; L158-I175 HydrophobicContact CD2-CD1 4.41Å; L158-I175 HydrophobicContact CD2-CG2 3.82Å; L158-I175 HydrophobicContact CG-CB 4.34Å; L158-I175 HydrophobicContact CG-CD1 4.19Å; L158-I175 HydrophobicContact CG-CG2 3.82Å; T171-I175 HydrophobicContact CG2-CD1 3.79Å; T171-I175 HydrophobicContact CG2-CG1 4.49Å; T171-I175 WeakPolarHBondContact O-CG1 3.31Å; T171-I175 PolarHBondContact O-N 2.74Å; I173-I175 VanDerWaalsContact C-N 3.35Å; I173-I175 PolarHBondContact O-N 2.83Å; I175-L178 PolarHBondContact O-N 3.49Å; I175-R179 HydrophobicContact CG2-CG 4.08Å; I175-R179 VanDerWaalsContact O-CB 3.24Å; I175-R179 WeakPolarHBondContact O-CB 3.34Å; I175-R179 VanDerWaalsContact O-CG 3.23Å; I175-R179 WeakPolarHBondContact O-CG 3.19Å; I175-R179 PolarHBondContact O-N 3.28Å; I175-L187 HydrophobicContact CG2-CD1 4.49Å |
| 176 | T | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -52.6 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 111 | L172 I173 L178 R179 C180 M184 L215 L218 L219 | L172-T176 VanDerWaalsContact O-CB 3.23Å; L172-T176 WeakPolarHBondContact O-CB 3.49Å; L172-T176 PolarHBondContact O-N 2.76Å; L172-T176 PolarHBondContact O-OG1 3.47Å; I173-T176 PolarHBondContact O-N 3.22Å; T176-L178 PolarHBondContact O-N 2.61Å; T176-R179 PolarHBondContact O-N 2.81Å; T176-C180 WeakPolarHBondContact O-CB 3.35Å; T176-C180 PolarHBondContact O-N 3.06Å; T176-C180 PolarHBondContact O-SG 2.93Å; T176-M184 HydrophobicContact CG2-CE 4.37Å; T176-L215 HydrophobicContact CG2-CD2 4.06Å; T176-L218 HydrophobicContact CG2-CB 3.75Å; T176-L218 HydrophobicContact CG2-CD1 4.2Å; T176-L219 HydrophobicContact CG2-CD2 4.21Å; T176-L219 HydrophobicContact CG2-CG 4.37Å |
| 177 | C | 97.4 | Very high | 97 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 43% | 0.432 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.3 | -36.3 | -178.5 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | I173 C180 | I173-C177 WeakPolarHBondContact O-CB 3.46Å; I173-C177 PolarHBondContact O-N 3.22Å; I173-C177 PolarHBondContact O-SG 3.47Å; I173-C177 VanDerWaalsContact O-SG 3.36Å; C177-C180 PolarHBondContact O-SG 3.06Å; C177-C180 VanDerWaalsContact O-SG 3.35Å |
| 178 | L | 96.7 | Very high | 97.2 | Very high | 118 Ų | 118 | 64.3 Ų | 64.3 | 62% | 0.618 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80.8 | -16.9 | -178.5 | -66.8 | 176.8 | 0 | 0 | 0 | 113.6 | R174 I175 T176 | R174-L178 HydrophobicContact CG-CD1 3.7Å; R174-L178 VanDerWaalsContact O-CB 3.22Å; R174-L178 WeakPolarHBondContact O-CB 3.34Å; R174-L178 WeakPolarHBondContact O-CD1 3.38Å; R174-L178 WeakPolarHBondContact O-CG 3.46Å; R174-L178 PolarHBondContact O-N 3.05Å; R174-L178 VanDerWaalsContact O-N 3.08Å; I175-L178 PolarHBondContact O-N 3.49Å; T176-L178 PolarHBondContact O-N 2.61Å |
| 179 | R | 97.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -119.1 | -13.8 | -172.9 | -53.5 | -55.6 | -62.1 | 174.6 | -10.3 | 114.4 | L154 I175 T176 E181 V182 D183 M184 L187 | L154-R179 HydrophobicContact CD1-CG 4.08Å; I175-R179 HydrophobicContact CG2-CG 4.08Å; I175-R179 VanDerWaalsContact O-CB 3.24Å; I175-R179 WeakPolarHBondContact O-CB 3.34Å; I175-R179 VanDerWaalsContact O-CG 3.23Å; I175-R179 WeakPolarHBondContact O-CG 3.19Å; I175-R179 PolarHBondContact O-N 3.28Å; T176-R179 PolarHBondContact O-N 2.81Å; R179-E181 PolarHBondContact O-N 3.37Å; R179-V182 PolarHBondContact O-N 3.2Å; R179-D183 IonicContact CZ-OD1 3.92Å; R179-D183 IonicContact CZ-OD2 3.88Å; R179-D183 IonicContact NE-OD1 2.75Å; R179-D183 PolarHBondContact NE-OD1 2.79Å; R179-D183 IonicContact NE-OD2 3.82Å; R179-D183 IonicContact NH2-OD1 3.29Å; R179-D183 PolarHBondContact NH2-OD1 3.34Å; R179-D183 IonicContact NH2-OD2 2.76Å; R179-D183 PolarHBondContact NH2-OD2 2.97Å; R179-D183 PolarHBondContact O-N 3.42Å; R179-D183 VanDerWaalsContact O-N 3.15Å; R179-M184 HydrophobicContact CB-CE 3.99Å; R179-M184 WeakPolarHBondContact O-CB 3.47Å; R179-M184 PolarHBondContact O-N 3.21Å; R179-M184 VanDerWaalsContact O-N 3.14Å; R179-L187 HydrophobicContact CB-CD1 3.8Å; R179-L187 HydrophobicContact CG-CD1 3.96Å |
| 180 | C | 96.5 | Very high | 97.4 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -45.5 | -177.6 | 53.2 | 0 | 0 | 0 | 0 | 112.2 | T176 C177 L218 | T176-C180 WeakPolarHBondContact O-CB 3.35Å; T176-C180 PolarHBondContact O-N 3.06Å; T176-C180 PolarHBondContact O-SG 2.93Å; C177-C180 PolarHBondContact O-SG 3.06Å; C177-C180 VanDerWaalsContact O-SG 3.35Å; C180-L218 WeakPolarHBondContact CB-O 3.13Å |
| 181 | E | 95.9 | Very high | 97.6 | Very high | 187 Ų | 187 | 52.9 Ų | 52.9 | 87% | 0.874 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.4 | -178.6 | -61.5 | -178 | 151.6 | 0 | 0 | 114.2 | R179 | R179-E181 PolarHBondContact O-N 3.37Š|
| 182 | V | 96.7 | Very high | 97.7 | Very high | 95 Ų | 95 | 58.5 Ų | 58.5 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -61 | -174.2 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | R179 | R179-V182 PolarHBondContact O-N 3.2Š|
| 183 | D | 96.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.9 | 22 | -176.6 | 69.4 | -11.7 | 0 | 0 | 0 | 114.4 | R151 R179 N185 T186 L187 | R151-D183 IonicContact NE-OD2 3.97Å; R151-D183 PolarHBondContact NE-OD2 2.61Å; R151-D183 VanDerWaalsContact NE-OD2 3.08Å; R179-D183 IonicContact CZ-OD1 3.92Å; R179-D183 IonicContact CZ-OD2 3.88Å; R179-D183 IonicContact NE-OD1 2.75Å; R179-D183 PolarHBondContact NE-OD1 2.79Å; R179-D183 IonicContact NE-OD2 3.82Å; R179-D183 IonicContact NH2-OD1 3.29Å; R179-D183 PolarHBondContact NH2-OD1 3.34Å; R179-D183 IonicContact NH2-OD2 2.76Å; R179-D183 PolarHBondContact NH2-OD2 2.97Å; R179-D183 PolarHBondContact O-N 3.42Å; R179-D183 VanDerWaalsContact O-N 3.15Å; D183-N185 PolarHBondContact O-N 3.03Å; D183-N185 VanDerWaalsContact O-N 3.1Å; D183-T186 WeakPolarHBondContact O-CA 3.44Å; D183-T186 VanDerWaalsContact O-CB 3.3Å; D183-T186 WeakPolarHBondContact O-CB 3.5Å; D183-T186 PolarHBondContact O-N 3.43Å; D183-L187 PolarHBondContact O-N 2.87Å; D183-L187 VanDerWaalsContact O-N 3.13Å |
| 184 | M | 97.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53.3 | -36.1 | -177.4 | -173.3 | 55.4 | 73.1 | 0 | 0 | 113.9 | T176 R179 T186 L187 K188 L199 L219 | T176-M184 HydrophobicContact CG2-CE 4.37Å; R179-M184 HydrophobicContact CB-CE 3.99Å; R179-M184 WeakPolarHBondContact O-CB 3.47Å; R179-M184 PolarHBondContact O-N 3.21Å; R179-M184 VanDerWaalsContact O-N 3.14Å; M184-T186 VanDerWaalsContact C-N 3.28Å; M184-T186 PolarHBondContact O-N 2.92Å; M184-L187 PolarHBondContact O-N 3.42Å; M184-L187 HydrophobicContact SD-CB 4.31Å; M184-L187 HydrophobicContact SD-CD1 4.39Å; M184-K188 HydrophobicContact CG-CG 4.39Å; M184-K188 WeakPolarHBondContact O-CG 2.94Å; M184-K188 PolarHBondContact O-N 3.28Å; M184-K188 HydrophobicContact SD-CG 4.47Å; M184-L199 HydrophobicContact SD-CD2 4.01Å; M184-L219 HydrophobicContact CE-CD2 3.85Å; M184-L219 HydrophobicContact CG-CD2 3.76Å; M184-L219 HydrophobicContact SD-CD2 3.42Å; M184-L219 WeakPolarHBondContact SD-CD2 3.39Å |
| 185 | N | 97.6 | Very high | 97.6 | Very high | 113 Ų | 113 | 66 Ų | 66 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.5 | -36.7 | 175.2 | -72.5 | -28.5 | 0 | 0 | 0 | 112.5 | D183 K188 S189 | D183-N185 PolarHBondContact O-N 3.03Å; D183-N185 VanDerWaalsContact O-N 3.1Å; N185-K188 WeakPolarHBondContact OD1-CE 3.38Å; N185-K188 PolarHBondContact OD1-NZ 3.39Å; N185-S189 PolarHBondContact O-N 2.9Å; N185-S189 PolarHBondContact O-OG 3.49Å |
| 186 | T | 98 | Very high | 97.6 | Very high | 62 Ų | 62 | 69.1 Ų | 69.1 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 174 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | D183 M184 K188 S189 M190 | D183-T186 WeakPolarHBondContact O-CA 3.44Å; D183-T186 VanDerWaalsContact O-CB 3.3Å; D183-T186 WeakPolarHBondContact O-CB 3.5Å; D183-T186 PolarHBondContact O-N 3.43Å; M184-T186 VanDerWaalsContact C-N 3.28Å; M184-T186 PolarHBondContact O-N 2.92Å; T186-K188 VanDerWaalsContact C-N 3.34Å; T186-K188 PolarHBondContact O-N 2.91Å; T186-S189 PolarHBondContact O-N 3.17Å; T186-M190 HydrophobicContact CG2-CG 4.42Å; T186-M190 HydrophobicContact CG2-SD 4.03Å; T186-M190 WeakPolarHBondContact O-CG 3.46Å; T186-M190 PolarHBondContact O-N 3.17Å |
| 187 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 178.1 | -56 | -176.4 | 0 | 0 | 0 | 111.7 | R151 L154 V155 I175 R179 D183 M184 S189 M190 Y191 | R151-L187 HydrophobicContact CB-CD2 3.95Å; R151-L187 HydrophobicContact CG-CD2 4.21Å; L154-L187 HydrophobicContact CB-CD1 4.44Å; L154-L187 HydrophobicContact CB-CD2 4.35Å; L154-L187 HydrophobicContact CD1-CD1 4.46Å; V155-L187 HydrophobicContact CG2-CB 4.21Å; V155-L187 HydrophobicContact CG2-CD2 3.99Å; I175-L187 HydrophobicContact CG2-CD1 4.49Å; R179-L187 HydrophobicContact CB-CD1 3.8Å; R179-L187 HydrophobicContact CG-CD1 3.96Å; D183-L187 PolarHBondContact O-N 2.87Å; D183-L187 VanDerWaalsContact O-N 3.13Å; M184-L187 PolarHBondContact O-N 3.42Å; M184-L187 HydrophobicContact SD-CB 4.31Å; M184-L187 HydrophobicContact SD-CD1 4.39Å; L187-S189 PolarHBondContact O-N 3.05Å; L187-M190 PolarHBondContact O-N 3.18Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.42Å |
| 188 | K | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 174.7 | -75.3 | -173.4 | -65.3 | -173.1 | 0 | 112.1 | M184 N185 T186 R192 L199 I200 L219 | M184-K188 HydrophobicContact CG-CG 4.39Å; M184-K188 WeakPolarHBondContact O-CG 2.94Å; M184-K188 PolarHBondContact O-N 3.28Å; M184-K188 HydrophobicContact SD-CG 4.47Å; N185-K188 WeakPolarHBondContact OD1-CE 3.38Å; N185-K188 PolarHBondContact OD1-NZ 3.39Å; T186-K188 VanDerWaalsContact C-N 3.34Å; T186-K188 PolarHBondContact O-N 2.91Å; K188-R192 PolarHBondContact O-N 3.2Å; K188-L199 HydrophobicContact CG-CB 4.18Å; K188-L199 HydrophobicContact CG-CD2 3.95Å; K188-I200 HydrophobicContact CD-CD1 4.05Å; K188-I200 HydrophobicContact CD-CG1 4.23Å; K188-L219 PolarHBondContact NZ-O 3Å |
| 189 | S | 98.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 65 Ų | 65 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.7 | -49.2 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | N185 T186 L187 Y191 R192 E193 | N185-S189 PolarHBondContact O-N 2.9Å; N185-S189 PolarHBondContact O-OG 3.49Å; T186-S189 PolarHBondContact O-N 3.17Å; L187-S189 PolarHBondContact O-N 3.05Å; S189-Y191 PolarHBondContact O-N 2.92Å; S189-R192 PolarHBondContact O-N 3.11Å; S189-E193 PolarHBondContact O-N 3.37Å |
| 190 | M | 98.4 | Very high | 97.7 | Very high | 28 Ų | 28 | 64.1 Ų | 64.1 | 14% | 0.138 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.9 | -70.5 | 177.7 | 72.6 | 0 | 0 | 111.6 | R151 L152 V155 T186 L187 R192 E193 Y194 | R151-M190 HydrophobicContact CB-CE 3.98Å; R151-M190 HydrophobicContact CB-SD 3.66Å; L152-M190 HydrophobicContact CB-CE 4.07Å; V155-M190 HydrophobicContact CG1-CB 4.48Å; V155-M190 HydrophobicContact CG2-CB 3.76Å; T186-M190 HydrophobicContact CG2-CG 4.42Å; T186-M190 HydrophobicContact CG2-SD 4.03Å; T186-M190 WeakPolarHBondContact O-CG 3.46Å; T186-M190 PolarHBondContact O-N 3.17Å; L187-M190 PolarHBondContact O-N 3.18Å; M190-R192 VanDerWaalsContact C-N 3.3Å; M190-R192 PolarHBondContact O-N 3.07Å; M190-E193 WeakPolarHBondContact O-CB 3.28Å; M190-E193 PolarHBondContact O-N 3.5Å; M190-E193 VanDerWaalsContact O-N 3.11Å; M190-Y194 HydrophobicContact CB-CD2 4.37Å; M190-Y194 HydrophobicContact CB-CE2 4.5Å; M190-Y194 HydrophobicContact CE-CE2 4.11Å; M190-Y194 VanDerWaalsContact O-CD2 3.23Å; M190-Y194 WeakPolarHBondContact O-CD2 3.35Å; M190-Y194 PolarHBondContact O-N 3.33Å |
| 191 | Y | 98.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 178 | -171.3 | -78.7 | 0 | 0 | 0 | 111.7 | V155 L158 Y159 M162 L187 S189 F195 K197 L199 A202 | V155-Y191 HydrophobicContact CG1-CD2 4.23Å; L158-Y191 HydrophobicContact CB-CD2 4.19Å; L158-Y191 HydrophobicContact CB-CE2 4.11Å; Y159-Y191 HydrophobicContact CD2-CE2 4.45Å; M162-Y191 HydrophobicContact CE-CE2 4.02Å; M162-Y191 WeakPolarHBondContact CE-OH 3.45Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.42Å; S189-Y191 PolarHBondContact O-N 2.92Å; Y191-F195 HydrophobicContact CD1-CD2 4.18Å; Y191-F195 AromaticContact CD2-CD2 3.79Å; Y191-F195 HydrophobicContact CD2-CD2 3.79Å; Y191-F195 HydrophobicContact CD2-CE2 4.06Å; Y191-F195 HydrophobicContact CE1-CB 4.33Å; Y191-F195 HydrophobicContact CE1-CD2 4.23Å; Y191-F195 AromaticContact CE2-CD2 3.87Å; Y191-F195 HydrophobicContact CE2-CD2 3.87Å; Y191-F195 HydrophobicContact CE2-CE2 4.19Å; Y191-F195 AromaticContact CG-CD2 3.95Å; Y191-F195 HydrophobicContact CG-CD2 3.95Å; Y191-F195 WeakPolarHBondContact O-CB 3.33Å; Y191-F195 WeakPolarHBondContact O-CD2 3.4Å; Y191-F195 PolarHBondContact O-N 2.97Å; Y191-K197 WeakPolarHBondContact CD1-O 3.42Å; Y191-L199 HydrophobicContact CD1-CB 3.88Å; Y191-L199 HydrophobicContact CD1-CD1 4.44Å; Y191-L199 HydrophobicContact CD2-CB 4.46Å; Y191-L199 HydrophobicContact CD2-CD1 3.88Å; Y191-L199 HydrophobicContact CE1-CB 4.44Å; Y191-L199 HydrophobicContact CE1-CD1 4.45Å; Y191-L199 HydrophobicContact CE2-CD1 3.86Å; Y191-L199 HydrophobicContact CG-CB 3.9Å; Y191-L199 HydrophobicContact CG-CD1 4.18Å; Y191-A202 HydrophobicContact CE1-CB 3.94Å; Y191-A202 WeakPolarHBondContact OH-CB 3.46Å |
| 192 | R | 98.3 | Very high | 97.8 | Very high | 147 Ų | 147 | 57.2 Ų | 57.2 | 56% | 0.555 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 175.3 | -175.4 | -170.4 | -64.1 | -114 | 3 | 112 | K188 S189 M190 G196 K197 | K188-R192 PolarHBondContact O-N 3.2Å; S189-R192 PolarHBondContact O-N 3.11Å; M190-R192 VanDerWaalsContact C-N 3.3Å; M190-R192 PolarHBondContact O-N 3.07Å; R192-G196 VanDerWaalsContact O-CA 3.24Å; R192-G196 WeakPolarHBondContact O-CA 3.36Å; R192-G196 PolarHBondContact O-N 2.73Å; R192-K197 WeakPolarHBondContact CA-O 3.43Å |
| 193 | E | 98.3 | Very high | 97.9 | Very high | 149 Ų | 149 | 52.8 Ų | 52.8 | 70% | 0.696 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | 179.1 | -176.2 | -178.4 | 169.1 | 0 | 0 | 111.9 | S189 M190 | S189-E193 PolarHBondContact O-N 3.37Å; M190-E193 WeakPolarHBondContact O-CB 3.28Å; M190-E193 PolarHBondContact O-N 3.5Å; M190-E193 VanDerWaalsContact O-N 3.11Å |
| 194 | Y | 97.4 | Very high | 97.9 | Very high | 120 Ų | 120 | 55.4 Ų | 55.4 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -78.3 | -33.1 | -175.8 | -76.9 | -73.8 | 0 | 0 | 0 | 114 | L152 V155 M190 | L152-Y194 HydrophobicContact CD1-CD1 4.46Å; L152-Y194 HydrophobicContact CD1-CD2 3.93Å; L152-Y194 HydrophobicContact CD1-CE1 4.11Å; L152-Y194 HydrophobicContact CD1-CE2 3.56Å; L152-Y194 HydrophobicContact CD1-CG 4.38Å; V155-Y194 HydrophobicContact CG1-CD2 4.49Å; M190-Y194 HydrophobicContact CB-CD2 4.37Å; M190-Y194 HydrophobicContact CB-CE2 4.5Å; M190-Y194 HydrophobicContact CE-CE2 4.11Å; M190-Y194 VanDerWaalsContact O-CD2 3.23Å; M190-Y194 WeakPolarHBondContact O-CD2 3.35Å; M190-Y194 PolarHBondContact O-N 3.33Å |
| 195 | F | 97.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 61.5 Ų | 61.5 | 28% | 0.281 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -116.5 | 0.8 | -171.7 | -54.4 | -63.4 | 0 | 0 | 0 | 114.3 | V155 Y159 Y191 K197 | V155-F195 HydrophobicContact CG1-CD2 4.32Å; V155-F195 HydrophobicContact CG1-CE2 3.61Å; Y159-F195 VanDerWaalsContact CB-CE2 3.4Å; Y159-F195 VanDerWaalsContact CB-CZ 3.45Å; Y159-F195 HydrophobicContact CD1-CD1 4.36Å; Y159-F195 AromaticContact CD1-CE1 3.89Å; Y159-F195 HydrophobicContact CD1-CE1 3.89Å; Y159-F195 HydrophobicContact CD1-CZ 4.14Å; Y159-F195 HydrophobicContact CD2-CB 3.97Å; Y159-F195 AromaticContact CD2-CD1 3.33Å; Y159-F195 HydrophobicContact CD2-CD1 3.33Å; Y159-F195 AromaticContact CD2-CD2 3.71Å; Y159-F195 HydrophobicContact CD2-CD2 3.71Å; Y159-F195 AromaticContact CD2-CE1 3.63Å; Y159-F195 HydrophobicContact CD2-CE1 3.63Å; Y159-F195 AromaticContact CD2-CE2 3.97Å; Y159-F195 HydrophobicContact CD2-CE2 3.97Å; Y159-F195 AromaticContact CD2-CG 3.37Å; Y159-F195 HydrophobicContact CD2-CG 3.37Å; Y159-F195 AromaticContact CD2-CZ 3.95Å; Y159-F195 HydrophobicContact CD2-CZ 3.95Å; Y159-F195 HydrophobicContact CE1-CE1 4.29Å; Y159-F195 HydrophobicContact CE2-CB 4.14Å; Y159-F195 AromaticContact CE2-CD1 3.51Å; Y159-F195 HydrophobicContact CE2-CD1 3.51Å; Y159-F195 HydrophobicContact CE2-CE1 4.04Å; Y159-F195 AromaticContact CE2-CG 3.84Å; Y159-F195 HydrophobicContact CE2-CG 3.84Å; Y159-F195 AromaticContact CG-CD1 3.79Å; Y159-F195 HydrophobicContact CG-CD1 3.79Å; Y159-F195 HydrophobicContact CG-CD2 4.08Å; Y159-F195 AromaticContact CG-CE1 3.54Å; Y159-F195 HydrophobicContact CG-CE1 3.54Å; Y159-F195 AromaticContact CG-CE2 3.84Å; Y159-F195 HydrophobicContact CG-CE2 3.84Å; Y159-F195 HydrophobicContact CG-CG 4.05Å; Y159-F195 AromaticContact CG-CZ 3.58Å; Y159-F195 HydrophobicContact CG-CZ 3.58Å; Y191-F195 HydrophobicContact CD1-CD2 4.18Å; Y191-F195 AromaticContact CD2-CD2 3.79Å; Y191-F195 HydrophobicContact CD2-CD2 3.79Å; Y191-F195 HydrophobicContact CD2-CE2 4.06Å; Y191-F195 HydrophobicContact CE1-CB 4.33Å; Y191-F195 HydrophobicContact CE1-CD2 4.23Å; Y191-F195 AromaticContact CE2-CD2 3.87Å; Y191-F195 HydrophobicContact CE2-CD2 3.87Å; Y191-F195 HydrophobicContact CE2-CE2 4.19Å; Y191-F195 AromaticContact CG-CD2 3.95Å; Y191-F195 HydrophobicContact CG-CD2 3.95Å; Y191-F195 WeakPolarHBondContact O-CB 3.33Å; Y191-F195 WeakPolarHBondContact O-CD2 3.4Å; Y191-F195 PolarHBondContact O-N 2.97Å; F195-K197 PolarHBondContact O-N 3.49Å; F195-K197 VanDerWaalsContact O-N 3.11Å |
| 196 | G | 97.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 58.2 Ų | 58.2 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 69.8 | 5.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R192 | R192-G196 VanDerWaalsContact O-CA 3.24Å; R192-G196 WeakPolarHBondContact O-CA 3.36Å; R192-G196 PolarHBondContact O-N 2.73Å |
| 197 | K | 97.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 27% | 0.265 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -132.5 | 140.3 | -176.6 | -173.5 | -179.5 | -178 | -177.9 | 0 | 111 | Y191 R192 F195 E201 A202 E205 | Y191-K197 WeakPolarHBondContact CD1-O 3.42Å; R192-K197 WeakPolarHBondContact CA-O 3.43Å; F195-K197 PolarHBondContact O-N 3.49Å; F195-K197 VanDerWaalsContact O-N 3.11Å; K197-E201 HydrophobicContact CG-CB 4.48Å; K197-A202 HydrophobicContact CD-CB 4.31Å; K197-E205 WeakPolarHBondContact CE-OE1 3.29Å; K197-E205 IonicContact NZ-OE1 3.7Å; K197-E205 PolarHBondContact NZ-OE1 3.28Å; K197-E205 IonicContact NZ-OE2 2.72Å; K197-E205 PolarHBondContact NZ-OE2 3.02Å |
| 198 | P | 98 | Very high | 97.6 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | trans | -61.4 | 137.4 | 173 | -16.8 | 28.7 | 0 | 0 | 0 | 111.8 | I200 E201 A202 | P198-I200 VanDerWaalsContact C-N 3.27Å; P198-I200 PolarHBondContact O-N 3.1Å; P198-E201 HydrophobicContact CB-CB 4.31Å; P198-E201 HydrophobicContact CB-CG 4.14Å; P198-E201 HydrophobicContact CG-CB 4.44Å; P198-E201 HydrophobicContact CG-CG 4.08Å; P198-E201 PolarHBondContact O-N 3.06Å; P198-E201 VanDerWaalsContact O-N 3.12Å; P198-A202 PolarHBondContact O-N 3.15Å | ||
| 199 | L | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.1 | -41.6 | 175.7 | 174.8 | 60.5 | 0 | 0 | 0 | 112.5 | L158 M162 M184 K188 Y191 E201 A202 V203 L219 | L158-L199 HydrophobicContact CB-CD1 4.33Å; L158-L199 HydrophobicContact CD1-CD1 4.32Å; L158-L199 HydrophobicContact CD1-CD2 3.87Å; M162-L199 HydrophobicContact CE-CD1 3.68Å; M184-L199 HydrophobicContact SD-CD2 4.01Å; K188-L199 HydrophobicContact CG-CB 4.18Å; K188-L199 HydrophobicContact CG-CD2 3.95Å; Y191-L199 HydrophobicContact CD1-CB 3.88Å; Y191-L199 HydrophobicContact CD1-CD1 4.44Å; Y191-L199 HydrophobicContact CD2-CB 4.46Å; Y191-L199 HydrophobicContact CD2-CD1 3.88Å; Y191-L199 HydrophobicContact CE1-CB 4.44Å; Y191-L199 HydrophobicContact CE1-CD1 4.45Å; Y191-L199 HydrophobicContact CE2-CD1 3.86Å; Y191-L199 HydrophobicContact CG-CB 3.9Å; Y191-L199 HydrophobicContact CG-CD1 4.18Å; L199-E201 VanDerWaalsContact C-N 3.31Å; L199-E201 PolarHBondContact O-N 3.4Å; L199-A202 WeakPolarHBondContact O-CB 3.38Å; L199-A202 PolarHBondContact O-N 3.33Å; L199-A202 VanDerWaalsContact O-N 3.17Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 3.24Å; L199-L219 HydrophobicContact CD2-CD2 4Å; L199-L219 HydrophobicContact CG-CD1 4.45Å |
| 200 | I | 98.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56 | -45.2 | 176.8 | -79 | 172.4 | 0 | 0 | 0 | 111.4 | K188 P198 V203 R204 L216 L219 E221 | K188-I200 HydrophobicContact CD-CD1 4.05Å; K188-I200 HydrophobicContact CD-CG1 4.23Å; P198-I200 VanDerWaalsContact C-N 3.27Å; P198-I200 PolarHBondContact O-N 3.1Å; I200-V203 PolarHBondContact O-N 3.01Å; I200-R204 WeakPolarHBondContact O-CB 3.49Å; I200-R204 PolarHBondContact O-N 3.38Å; I200-L216 HydrophobicContact CG2-CD2 3.99Å; I200-L219 HydrophobicContact CD1-CB 4.43Å; I200-L219 HydrophobicContact CG1-CB 3.95Å; I200-L219 HydrophobicContact CG1-CD1 4.08Å; I200-E221 WeakPolarHBondContact CG2-OE2 3.48Å |
| 201 | E | 97.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.7 | -34.7 | 178.4 | -65.8 | -52.3 | 138 | 0 | 0 | 112 | K197 P198 L199 R204 E205 | K197-E201 HydrophobicContact CG-CB 4.48Å; P198-E201 HydrophobicContact CB-CB 4.31Å; P198-E201 HydrophobicContact CB-CG 4.14Å; P198-E201 HydrophobicContact CG-CB 4.44Å; P198-E201 HydrophobicContact CG-CG 4.08Å; P198-E201 PolarHBondContact O-N 3.06Å; P198-E201 VanDerWaalsContact O-N 3.12Å; L199-E201 VanDerWaalsContact C-N 3.31Å; L199-E201 PolarHBondContact O-N 3.4Å; E201-R204 PolarHBondContact O-N 2.95Å; E201-R204 IonicContact OE1-CZ 3.71Å; E201-R204 IonicContact OE1-NE 3.85Å; E201-R204 PolarHBondContact OE1-NE 3.35Å; E201-R204 IonicContact OE1-NH2 3.57Å; E201-R204 PolarHBondContact OE1-NH2 3.29Å; E201-R204 VanDerWaalsContact OE1-NH2 3.16Å; E201-R204 IonicContact OE2-NE 3.5Å; E201-R204 PolarHBondContact OE2-NE 3.36Å; E201-R204 VanDerWaalsContact OE2-NE 3.14Å; E201-E205 WeakPolarHBondContact O-CB 3.45Å; E201-E205 WeakPolarHBondContact O-CG 3.48Å; E201-E205 PolarHBondContact O-N 3Å |
| 202 | A | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M162 Y191 K197 P198 L199 R204 E205 D206 | M162-A202 HydrophobicContact CE-CB 3.85Å; M162-A202 HydrophobicContact SD-CB 3.99Å; Y191-A202 HydrophobicContact CE1-CB 3.94Å; Y191-A202 WeakPolarHBondContact OH-CB 3.46Å; K197-A202 HydrophobicContact CD-CB 4.31Å; P198-A202 PolarHBondContact O-N 3.15Å; L199-A202 WeakPolarHBondContact O-CB 3.38Å; L199-A202 PolarHBondContact O-N 3.33Å; L199-A202 VanDerWaalsContact O-N 3.17Å; A202-R204 PolarHBondContact O-N 3.29Å; A202-E205 PolarHBondContact O-N 3.08Å; A202-D206 WeakPolarHBondContact O-CB 3.36Å; A202-D206 PolarHBondContact O-N 3.42Å |
| 203 | V | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | M162 L172 L199 I200 E205 D206 T207 L215 L216 L219 | M162-V203 HydrophobicContact CE-CG2 4.31Å; M162-V203 HydrophobicContact SD-CB 4.37Å; M162-V203 HydrophobicContact SD-CG2 3.61Å; L172-V203 HydrophobicContact CD1-CG2 4.04Å; L199-V203 HydrophobicContact CD1-CG2 4.17Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 3.24Å; I200-V203 PolarHBondContact O-N 3.01Å; V203-E205 VanDerWaalsContact C-N 3.31Å; V203-E205 PolarHBondContact O-N 2.89Å; V203-D206 PolarHBondContact O-N 3.15Å; V203-T207 HydrophobicContact CG1-CG2 4.37Å; V203-T207 WeakPolarHBondContact O-CB 3.45Å; V203-T207 PolarHBondContact O-N 2.95Å; V203-T207 PolarHBondContact O-OG1 3.45Å; V203-L215 HydrophobicContact CG1-CB 3.77Å; V203-L215 HydrophobicContact CG1-CD1 3.91Å; V203-L216 HydrophobicContact CG1-CD2 4.23Å; V203-L219 HydrophobicContact CB-CD1 4.13Å; V203-L219 HydrophobicContact CG1-CD1 4.31Å; V203-L219 HydrophobicContact CG2-CD1 3.88Å |
| 204 | R | 97.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 63 Ų | 63 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 179.7 | -169.8 | -168.1 | -52.2 | -67.5 | -4.7 | 112.3 | I200 E201 A202 R212 L216 E221 | I200-R204 WeakPolarHBondContact O-CB 3.49Å; I200-R204 PolarHBondContact O-N 3.38Å; E201-R204 PolarHBondContact O-N 2.95Å; E201-R204 IonicContact OE1-CZ 3.71Å; E201-R204 IonicContact OE1-NE 3.85Å; E201-R204 PolarHBondContact OE1-NE 3.35Å; E201-R204 IonicContact OE1-NH2 3.57Å; E201-R204 PolarHBondContact OE1-NH2 3.29Å; E201-R204 VanDerWaalsContact OE1-NH2 3.16Å; E201-R204 IonicContact OE2-NE 3.5Å; E201-R204 PolarHBondContact OE2-NE 3.36Å; E201-R204 VanDerWaalsContact OE2-NE 3.14Å; A202-R204 PolarHBondContact O-N 3.29Å; R204-R212 WeakPolarHBondContact O-CD 3.37Å; R204-R212 PolarHBondContact O-NH1 2.88Å; R204-L216 HydrophobicContact CB-CD2 4.43Å; R204-L216 HydrophobicContact CG-CD1 4.43Å; R204-L216 VanDerWaalsContact NH1-CD1 3.35Å; R204-E221 IonicContact CZ-OE1 2.7Å; R204-E221 VanDerWaalsContact CZ-OE1 3.3Å; R204-E221 IonicContact CZ-OE2 3.78Å; R204-E221 IonicContact NH1-OE1 3.69Å; R204-E221 PolarHBondContact NH1-OE1 3.25Å; R204-E221 IonicContact NH1-OE2 2.73Å; R204-E221 IonicContact NH2-OE1 3.18Å; R204-E221 PolarHBondContact NH2-OE1 2.66Å; R204-E221 IonicContact NH2-OE2 2.61Å; R204-E221 PolarHBondContact NH2-OE2 3.18Å |
| 205 | E | 96.1 | Very high | 97.4 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.621 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77 | -36.8 | -178.9 | -74.6 | 175.6 | -136.8 | 0 | 0 | 112.6 | K197 E201 A202 V203 | K197-E205 WeakPolarHBondContact CE-OE1 3.29Å; K197-E205 IonicContact NZ-OE1 3.7Å; K197-E205 PolarHBondContact NZ-OE1 3.28Å; K197-E205 IonicContact NZ-OE2 2.72Å; K197-E205 PolarHBondContact NZ-OE2 3.02Å; E201-E205 WeakPolarHBondContact O-CB 3.45Å; E201-E205 WeakPolarHBondContact O-CG 3.48Å; E201-E205 PolarHBondContact O-N 3Å; A202-E205 PolarHBondContact O-N 3.08Å; V203-E205 VanDerWaalsContact C-N 3.31Å; V203-E205 PolarHBondContact O-N 2.89Å |
| 206 | D | 96.7 | Very high | 97.5 | Very high | 44 Ų | 44 | 55 Ų | 55 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -84.5 | -23.6 | -174.1 | -156.4 | 63 | 0 | 0 | 0 | 113.2 | M162 T167 A202 V203 | M162-D206 WeakPolarHBondContact CA-OD2 3.22Å; M162-D206 HydrophobicContact CB-CB 4.02Å; M162-D206 WeakPolarHBondContact CB-OD2 3.46Å; M162-D206 HydrophobicContact CG-CB 4.03Å; M162-D206 WeakPolarHBondContact CG-OD2 3.45Å; M162-D206 HydrophobicContact SD-CB 4.33Å; T167-D206 WeakPolarHBondContact CB-OD2 3.36Å; T167-D206 WeakPolarHBondContact CG2-OD2 3.46Å; T167-D206 PolarHBondContact OG1-O 3.01Å; T167-D206 PolarHBondContact OG1-OD2 3.42Å; A202-D206 WeakPolarHBondContact O-CB 3.36Å; A202-D206 PolarHBondContact O-N 3.42Å; V203-D206 PolarHBondContact O-N 3.15Å |
| 207 | T | 96.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | trans | -112.6 | 164.5 | -177.2 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | T167 L172 V203 F211 R212 L215 | T167-T207 HydrophobicContact CG2-CG2 4.46Å; L172-T207 HydrophobicContact CD2-CG2 3.85Å; V203-T207 HydrophobicContact CG1-CG2 4.37Å; V203-T207 WeakPolarHBondContact O-CB 3.45Å; V203-T207 PolarHBondContact O-N 2.95Å; V203-T207 PolarHBondContact O-OG1 3.45Å; T207-F211 HydrophobicContact CG2-CD1 4.06Å; T207-F211 HydrophobicContact CG2-CE1 3.74Å; T207-R212 VanDerWaalsContact O-CD 3.31Å; T207-R212 WeakPolarHBondContact O-CD 3.47Å; T207-R212 PolarHBondContact O-NE 3.21Å; T207-R212 PolarHBondContact O-NH1 3.42Å; T207-R212 WeakPolarHBondContact OG1-CA 3.22Å; T207-R212 WeakPolarHBondContact OG1-CB 3.24Å; T207-R212 WeakPolarHBondContact OG1-CG 3.47Å; T207-L215 HydrophobicContact CG2-CD1 3.9Å | ||
| 208 | S | 96.7 | Very high | 97.5 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | trans | -140.5 | 173 | -178.8 | 74.6 | 0 | 0 | 0 | 0 | 114.1 | R212 | S208-R212 PolarHBondContact O-N 2.89Š| ||
| 209 | G | 97.4 | Very high | 97.4 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | 57 | -144.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | F211 K213 | G209-F211 VanDerWaalsContact C-N 3.35Å; G209-K213 PolarHBondContact O-N 3.36Å |
| 210 | D | 97.6 | Very high | 97.2 | Very high | 115 Ų | 115 | 55.7 Ų | 55.7 | 62% | 0.615 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.9 | -26.3 | -179.8 | -63 | -34.5 | 0 | 0 | 0 | 112.6 | R212 K213 L214 | D210-R212 VanDerWaalsContact C-N 3.34Å; D210-R212 PolarHBondContact O-N 2.85Å; D210-K213 PolarHBondContact O-N 2.94Å; D210-K213 IonicContact OD1-NZ 2.66Å; D210-K213 PolarHBondContact OD1-NZ 2.7Å; D210-L214 WeakPolarHBondContact O-CB 3.43Å; D210-L214 PolarHBondContact O-N 2.92Å |
| 211 | F | 96.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 172.4 | 177.5 | -128.9 | 0 | 0 | 0 | 111.2 | E169 I173 T207 G209 K213 L214 L215 | E169-F211 HydrophobicContact CB-CE1 4.49Å; E169-F211 HydrophobicContact CB-CZ 4.18Å; E169-F211 HydrophobicContact CG-CE1 3.88Å; E169-F211 HydrophobicContact CG-CZ 4.08Å; I173-F211 HydrophobicContact CD1-CE2 3.73Å; I173-F211 HydrophobicContact CD1-CZ 4.01Å; I173-F211 HydrophobicContact CG1-CE2 3.59Å; I173-F211 HydrophobicContact CG1-CZ 3.82Å; T207-F211 HydrophobicContact CG2-CD1 4.06Å; T207-F211 HydrophobicContact CG2-CE1 3.74Å; G209-F211 VanDerWaalsContact C-N 3.35Å; F211-K213 PolarHBondContact O-N 3.2Å; F211-L214 PolarHBondContact O-N 2.92Å; F211-L215 HydrophobicContact CD1-CD1 4.3Å; F211-L215 HydrophobicContact CD2-CD1 4.26Å; F211-L215 HydrophobicContact CD2-CG 4.26Å; F211-L215 HydrophobicContact CE1-CD1 3.78Å; F211-L215 HydrophobicContact CE2-CD1 3.73Å; F211-L215 HydrophobicContact CE2-CD2 4.17Å; F211-L215 HydrophobicContact CE2-CG 3.89Å; F211-L215 HydrophobicContact CZ-CD1 3.48Å; F211-L215 VanDerWaalsContact CZ-CD1 3.48Å; F211-L215 HydrophobicContact CZ-CG 4.18Å; F211-L215 WeakPolarHBondContact O-CG 3.49Å; F211-L215 PolarHBondContact O-N 3.35Å |
| 212 | R | 97.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -49.6 | 172.9 | 174.8 | 165.9 | 46.8 | -166.1 | -6.7 | 112.5 | R204 T207 S208 D210 L214 L215 L216 | R204-R212 WeakPolarHBondContact O-CD 3.37Å; R204-R212 PolarHBondContact O-NH1 2.88Å; T207-R212 VanDerWaalsContact O-CD 3.31Å; T207-R212 WeakPolarHBondContact O-CD 3.47Å; T207-R212 PolarHBondContact O-NE 3.21Å; T207-R212 PolarHBondContact O-NH1 3.42Å; T207-R212 WeakPolarHBondContact OG1-CA 3.22Å; T207-R212 WeakPolarHBondContact OG1-CB 3.24Å; T207-R212 WeakPolarHBondContact OG1-CG 3.47Å; S208-R212 PolarHBondContact O-N 2.89Å; D210-R212 VanDerWaalsContact C-N 3.34Å; D210-R212 PolarHBondContact O-N 2.85Å; R212-L214 VanDerWaalsContact C-N 3.27Å; R212-L214 PolarHBondContact O-N 2.87Å; R212-L215 PolarHBondContact O-N 3.2Å; R212-L216 HydrophobicContact CG-CD1 3.64Å; R212-L216 HydrophobicContact CG-CG 4.12Å; R212-L216 WeakPolarHBondContact O-CB 3.38Å; R212-L216 VanDerWaalsContact O-CG 3.25Å; R212-L216 WeakPolarHBondContact O-CG 3.47Å; R212-L216 PolarHBondContact O-N 3.03Å |
| 213 | K | 98 | Very high | 96.7 | Very high | 135 Ų | 135 | 62.7 Ų | 62.7 | 59% | 0.587 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.9 | -43.2 | -178.6 | -65.9 | 175.9 | -166.4 | 158.3 | 0 | 111.2 | G209 D210 F211 L216 A217 | G209-K213 PolarHBondContact O-N 3.36Å; D210-K213 PolarHBondContact O-N 2.94Å; D210-K213 IonicContact OD1-NZ 2.66Å; D210-K213 PolarHBondContact OD1-NZ 2.7Å; F211-K213 PolarHBondContact O-N 3.2Å; K213-L216 PolarHBondContact O-N 2.92Å; K213-A217 WeakPolarHBondContact O-CB 3.43Å; K213-A217 PolarHBondContact O-N 3.45Å |
| 214 | L | 97.4 | Very high | 96.7 | Very high | 103 Ų | 103 | 66.1 Ų | 66.1 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 177.3 | 178.1 | 62.3 | 0 | 0 | 0 | 111.6 | D210 F211 R212 L216 A217 L218 | D210-L214 WeakPolarHBondContact O-CB 3.43Å; D210-L214 PolarHBondContact O-N 2.92Å; F211-L214 PolarHBondContact O-N 2.92Å; R212-L214 VanDerWaalsContact C-N 3.27Å; R212-L214 PolarHBondContact O-N 2.87Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-L216 PolarHBondContact O-N 2.99Å; L214-A217 PolarHBondContact O-N 3.48Å; L214-L218 HydrophobicContact CD1-CD1 4.3Å; L214-L218 HydrophobicContact CD1-CG 4.37Å; L214-L218 HydrophobicContact CG-CD1 4.17Å; L214-L218 WeakPolarHBondContact O-CG 3.24Å; L214-L218 PolarHBondContact O-N 2.65Å |
| 215 | L | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 179 | -70.2 | 177.8 | 0 | 0 | 0 | 112 | L172 T176 V203 T207 F211 R212 L218 L219 | L172-L215 HydrophobicContact CD2-CD1 3.64Å; L172-L215 HydrophobicContact CG-CD1 4.01Å; T176-L215 HydrophobicContact CG2-CD2 4.06Å; V203-L215 HydrophobicContact CG1-CB 3.77Å; V203-L215 HydrophobicContact CG1-CD1 3.91Å; T207-L215 HydrophobicContact CG2-CD1 3.9Å; F211-L215 HydrophobicContact CD1-CD1 4.3Å; F211-L215 HydrophobicContact CD2-CD1 4.26Å; F211-L215 HydrophobicContact CD2-CG 4.26Å; F211-L215 HydrophobicContact CE1-CD1 3.78Å; F211-L215 HydrophobicContact CE2-CD1 3.73Å; F211-L215 HydrophobicContact CE2-CD2 4.17Å; F211-L215 HydrophobicContact CE2-CG 3.89Å; F211-L215 HydrophobicContact CZ-CD1 3.48Å; F211-L215 VanDerWaalsContact CZ-CD1 3.48Å; F211-L215 HydrophobicContact CZ-CG 4.18Å; F211-L215 WeakPolarHBondContact O-CG 3.49Å; F211-L215 PolarHBondContact O-N 3.35Å; R212-L215 PolarHBondContact O-N 3.2Å; L215-L218 PolarHBondContact O-N 2.86Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.42Å |
| 216 | L | 98.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 177.5 | -68.4 | 176.6 | 0 | 0 | 0 | 111.8 | I200 V203 R204 R212 K213 L214 L218 L219 G220 E221 | I200-L216 HydrophobicContact CG2-CD2 3.99Å; V203-L216 HydrophobicContact CG1-CD2 4.23Å; R204-L216 HydrophobicContact CB-CD2 4.43Å; R204-L216 HydrophobicContact CG-CD1 4.43Å; R204-L216 VanDerWaalsContact NH1-CD1 3.35Å; R212-L216 HydrophobicContact CG-CD1 3.64Å; R212-L216 HydrophobicContact CG-CG 4.12Å; R212-L216 WeakPolarHBondContact O-CB 3.38Å; R212-L216 VanDerWaalsContact O-CG 3.25Å; R212-L216 WeakPolarHBondContact O-CG 3.47Å; R212-L216 PolarHBondContact O-N 3.03Å; K213-L216 PolarHBondContact O-N 2.92Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-L216 PolarHBondContact O-N 2.99Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.96Å; L216-L219 CarbonylContact O-C 3.14Å; L216-L219 WeakPolarHBondContact O-CA 3.32Å; L216-L219 WeakPolarHBondContact O-CB 3.41Å; L216-L219 PolarHBondContact O-N 2.91Å; L216-G220 PolarHBondContact O-N 2.95Å; L216-E221 HydrophobicContact CB-CB 4.35Å; L216-E221 PolarHBondContact O-N 3.11Å; L216-E221 VanDerWaalsContact O-N 3.1Å |
| 217 | A | 97.5 | Very high | 96.7 | Very high | 58 Ų | 58 | 62.8 Ų | 62.8 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K213 L214 L219 G220 | K213-A217 WeakPolarHBondContact O-CB 3.43Å; K213-A217 PolarHBondContact O-N 3.45Å; L214-A217 PolarHBondContact O-N 3.48Å; A217-L219 PolarHBondContact O-N 2.97Å; A217-G220 PolarHBondContact O-N 3.36Å |
| 218 | L | 97.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 66.8 Ų | 66.8 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -25.9 | 175.2 | -69 | 172.3 | 0 | 0 | 0 | 113.1 | T176 C180 L214 L215 L216 G220 | T176-L218 HydrophobicContact CG2-CB 3.75Å; T176-L218 HydrophobicContact CG2-CD1 4.2Å; C180-L218 WeakPolarHBondContact CB-O 3.13Å; L214-L218 HydrophobicContact CD1-CD1 4.3Å; L214-L218 HydrophobicContact CD1-CG 4.37Å; L214-L218 HydrophobicContact CG-CD1 4.17Å; L214-L218 WeakPolarHBondContact O-CG 3.24Å; L214-L218 PolarHBondContact O-N 2.65Å; L215-L218 PolarHBondContact O-N 2.86Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.96Å; L218-G220 VanDerWaalsContact C-N 3.25Å |
| 219 | L | 97.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.6 | 173.1 | -68.3 | 174.9 | 0 | 0 | 0 | 113.1 | T176 M184 K188 L199 I200 V203 L215 L216 A217 | T176-L219 HydrophobicContact CG2-CD2 4.21Å; T176-L219 HydrophobicContact CG2-CG 4.37Å; M184-L219 HydrophobicContact CE-CD2 3.85Å; M184-L219 HydrophobicContact CG-CD2 3.76Å; M184-L219 HydrophobicContact SD-CD2 3.42Å; M184-L219 WeakPolarHBondContact SD-CD2 3.39Å; K188-L219 PolarHBondContact NZ-O 3Å; L199-L219 HydrophobicContact CD2-CD2 4Å; L199-L219 HydrophobicContact CG-CD1 4.45Å; I200-L219 HydrophobicContact CD1-CB 4.43Å; I200-L219 HydrophobicContact CG1-CB 3.95Å; I200-L219 HydrophobicContact CG1-CD1 4.08Å; V203-L219 HydrophobicContact CB-CD1 4.13Å; V203-L219 HydrophobicContact CG1-CD1 4.31Å; V203-L219 HydrophobicContact CG2-CD1 3.88Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.42Å; L216-L219 CarbonylContact O-C 3.14Å; L216-L219 WeakPolarHBondContact O-CA 3.32Å; L216-L219 WeakPolarHBondContact O-CB 3.41Å; L216-L219 PolarHBondContact O-N 2.91Å; A217-L219 PolarHBondContact O-N 2.97Å |
| 220 | G | 93.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 67.5 Ų | 67.5 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 33.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L216 A217 L218 | L216-G220 PolarHBondContact O-N 2.95Å; A217-G220 PolarHBondContact O-N 3.36Å; L218-G220 VanDerWaalsContact C-N 3.25Å |
| 221 | E | 90.3 | Very high | 96.5 | Very high | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | trans | -91.2 | 0 | 163.3 | -178.7 | 170.2 | 124.7 | 0 | 0 | 110.9 | I200 R204 L216 | I200-E221 WeakPolarHBondContact CG2-OE2 3.48Å; R204-E221 IonicContact CZ-OE1 2.7Å; R204-E221 VanDerWaalsContact CZ-OE1 3.3Å; R204-E221 IonicContact CZ-OE2 3.78Å; R204-E221 IonicContact NH1-OE1 3.69Å; R204-E221 PolarHBondContact NH1-OE1 3.25Å; R204-E221 IonicContact NH1-OE2 2.73Å; R204-E221 IonicContact NH2-OE1 3.18Å; R204-E221 PolarHBondContact NH2-OE1 2.66Å; R204-E221 IonicContact NH2-OE2 2.61Å; R204-E221 PolarHBondContact NH2-OE2 3.18Å; L216-E221 HydrophobicContact CB-CB 4.35Å; L216-E221 PolarHBondContact O-N 3.11Å; L216-E221 VanDerWaalsContact O-N 3.1Å |
Retrieved 221 of 221 residues in 117.7 ms
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