| 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 | 38.5 | Very low | 67.2 | Low | 240 Ų | 240 | 94 Ų | 94 | 100% | 1.182 | 53% | 0.534 | S | S | * | . | 0 | 108.1 | 0 | -55.8 | -137.5 | -141.6 | 0 | 0 | 106.7 | S3 | M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | A | 40.2 | Very low | 69.4 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 72% | 0.719 | 53% | 0.526 | S | S | * | . | trans | -70.5 | 103.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | N4 | A2-N4 PolarHBondContact O-N 3.34Å; A2-N4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | S | 47.7 | Very low | 71.2 | Confident | 114 Ų | 114 | 97.2 Ų | 97.2 | 80% | 0.797 | 55% | 0.549 | S | S | * | . | trans | -52.8 | 117.5 | 170.7 | 27.7 | 0 | 0 | 0 | 0 | 107.4 | M1 G5 | M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.08Å; S3-G5 VanDerWaalsContact C-N 3.32Å; S3-G5 PolarHBondContact O-N 3.5Å | ||
| 4 | N | 62.3 | Low | 72.9 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | trans | -70.2 | 94.6 | -176.4 | -130.5 | 37.9 | 0 | 0 | 0 | 106 | A2 M6 E7 Q59 | A2-N4 PolarHBondContact O-N 3.34Å; A2-N4 VanDerWaalsContact O-N 3.1Å; N4-M6 PolarHBondContact O-N 3.49Å; N4-E7 HydrophobicContact CB-CG 3.93Å; N4-E7 WeakPolarHBondContact CB-OE2 2.92Å; N4-E7 WeakPolarHBondContact O-CB 3.4Å; N4-E7 PolarHBondContact O-N 3.4Å; N4-Q59 PolarHBondContact OD1-NE2 2.94Å | ||
| 5 | G | 66.1 | Low | 74.4 | Confident | 24 Ų | 24 | 94.6 Ų | 94.6 | 25% | 0.247 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -19.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S3 S8 | S3-G5 VanDerWaalsContact C-N 3.32Å; S3-G5 PolarHBondContact O-N 3.5Å; G5-S8 PolarHBondContact O-N 2.83Å; G5-S8 PolarHBondContact O-OG 2.82Å |
| 6 | M | 72.6 | Confident | 75.7 | Confident | 32 Ų | 32 | 93 Ų | 93 | 16% | 0.158 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33.7 | 171.9 | -67.1 | 174.5 | -158.9 | 0 | 0 | 114.2 | N4 S8 M9 L55 R56 Q59 | N4-M6 PolarHBondContact O-N 3.49Å; M6-S8 PolarHBondContact O-N 3.35Å; M6-M9 PolarHBondContact O-N 3.17Å; M6-L55 HydrophobicContact CE-CB 4.08Å; M6-L55 HydrophobicContact CG-CB 4.14Å; M6-L55 HydrophobicContact CG-CD1 4.48Å; M6-R56 HydrophobicContact CE-CB 3.52Å; M6-R56 VanDerWaalsContact CE-CD 3.44Å; M6-R56 HydrophobicContact CE-CG 4.09Å; M6-R56 VanDerWaalsContact CE-N 3.25Å; M6-Q59 HydrophobicContact CE-CG 4.18Å |
| 7 | E | 69.4 | Low | 76.9 | Confident | 148 Ų | 148 | 95.6 Ų | 95.6 | 69% | 0.692 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -61.7 | -25.9 | 178.8 | -71.8 | 175.4 | 102.4 | 0 | 0 | 111.4 | N4 M9 | N4-E7 HydrophobicContact CB-CG 3.93Å; N4-E7 WeakPolarHBondContact CB-OE2 2.92Å; N4-E7 WeakPolarHBondContact O-CB 3.4Å; N4-E7 PolarHBondContact O-N 3.4Å; E7-M9 VanDerWaalsContact C-N 3.27Å; E7-M9 PolarHBondContact O-N 3.03Å |
| 8 | S | 77 | Confident | 78 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -74 | -12.9 | 176.9 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | G5 M6 | G5-S8 PolarHBondContact O-N 2.83Å; G5-S8 PolarHBondContact O-OG 2.82Å; M6-S8 PolarHBondContact O-N 3.35Å |
| 9 | M | 86.2 | Confident | 78.9 | Confident | 22 Ų | 22 | 87.6 Ų | 87.6 | 11% | 0.108 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -89.7 | -8.6 | -176.3 | -63.8 | -174.1 | 72.7 | 0 | 0 | 113.6 | M6 E7 L11 E48 K51 W52 L55 | M6-M9 PolarHBondContact O-N 3.17Å; E7-M9 VanDerWaalsContact C-N 3.27Å; E7-M9 PolarHBondContact O-N 3.03Å; M9-L11 HydrophobicContact CB-CD1 4.22Å; M9-L11 HydrophobicContact CB-CD2 4.28Å; M9-L11 HydrophobicContact CB-CG 3.83Å; M9-L11 PolarHBondContact O-N 3.09Å; M9-E48 HydrophobicContact CE-CB 3.97Å; M9-E48 HydrophobicContact CE-CG 4.4Å; M9-E48 WeakPolarHBondContact CE-O 3.39Å; M9-K51 HydrophobicContact CE-CB 4.16Å; M9-K51 HydrophobicContact CE-CD 4.17Å; M9-K51 HydrophobicContact CE-CG 4.25Å; M9-K51 HydrophobicContact SD-CD 4.2Å; M9-K51 HydrophobicContact SD-CG 4.08Å; M9-W52 HydrophobicContact CE-CB 4.15Å; M9-W52 HydrophobicContact SD-CB 4.07Å; M9-L55 HydrophobicContact SD-CD1 4.07Å |
| 10 | Q | 87.5 | Confident | 79.8 | Confident | 188 Ų | 188 | 85.9 Ų | 85.9 | 88% | 0.879 | 47% | 0.467 | S | S | * | . | trans | 45.3 | 40.4 | 177.3 | -56.2 | -168.3 | -68.9 | 0 | 0 | 114.4 | ||||
| 11 | L | 91.3 | Very high | 80.6 | Confident | 26 Ų | 26 | 86.2 Ų | 86.2 | 14% | 0.136 | 47% | 0.465 | C | S | . | . | trans | -74.3 | 145.1 | -177.5 | -59.9 | 177.1 | 0 | 0 | 0 | 111.4 | M9 I16 L19 L44 W52 | M9-L11 HydrophobicContact CB-CD1 4.22Å; M9-L11 HydrophobicContact CB-CD2 4.28Å; M9-L11 HydrophobicContact CB-CG 3.83Å; M9-L11 PolarHBondContact O-N 3.09Å; L11-I16 HydrophobicContact CB-CD1 4.15Å; L11-I16 HydrophobicContact CB-CG1 3.74Å; L11-I16 HydrophobicContact CD1-CG1 4.41Å; L11-L19 HydrophobicContact CD1-CD1 3.74Å; L11-L44 HydrophobicContact CD1-CD1 4.5Å; L11-L44 HydrophobicContact CD2-CD1 3.89Å; L11-L44 HydrophobicContact CD2-CD2 3.68Å; L11-L44 HydrophobicContact CD2-CG 4.46Å; L11-W52 HydrophobicContact CD1-CG 4.25Å | ||
| 12 | A | 93.9 | Very high | 83.3 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 45% | 0.446 | 42% | 0.415 | S | S | . | . | trans | -71.2 | 154.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D14 Q15 I16 | A12-D14 VanDerWaalsContact C-N 3.26Å; A12-D14 PolarHBondContact O-N 2.99Å; A12-Q15 HydrophobicContact CB-CG 4.12Å; A12-Q15 WeakPolarHBondContact O-CB 3.43Å; A12-Q15 PolarHBondContact O-N 3.24Å; A12-Q15 VanDerWaalsContact O-N 3.09Å; A12-I16 WeakPolarHBondContact O-CG1 3.22Å; A12-I16 PolarHBondContact O-N 3.05Å | ||
| 13 | E | 92.9 | Very high | 85.9 | Confident | 175 Ų | 175 | 71.8 Ų | 71.8 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.6 | -38.6 | -177.4 | -172.1 | 174.3 | 92.8 | 0 | 0 | 112.6 | Q15 I16 K17 | E13-Q15 PolarHBondContact O-N 2.9Å; E13-I16 PolarHBondContact O-N 3.31Å; E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 PolarHBondContact O-N 3.03Å |
| 14 | D | 95.2 | Very high | 88.1 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 60% | 0.599 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 178.4 | -154.5 | -99.5 | 0 | 0 | 0 | 111.8 | A12 K17 I18 | A12-D14 VanDerWaalsContact C-N 3.26Å; A12-D14 PolarHBondContact O-N 2.99Å; D14-K17 WeakPolarHBondContact O-CB 3.35Å; D14-K17 PolarHBondContact O-N 3.36Å; D14-I18 WeakPolarHBondContact O-CG1 3.33Å; D14-I18 PolarHBondContact O-N 3.43Å |
| 15 | Q | 95.6 | Very high | 89.7 | Confident | 44 Ų | 44 | 76.5 Ų | 76.5 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175.6 | -55.5 | -179.8 | -58.1 | 0 | 0 | 110.9 | A12 E13 K17 I18 L19 S42 L44 | A12-Q15 HydrophobicContact CB-CG 4.12Å; A12-Q15 WeakPolarHBondContact O-CB 3.43Å; A12-Q15 PolarHBondContact O-N 3.24Å; A12-Q15 VanDerWaalsContact O-N 3.09Å; E13-Q15 PolarHBondContact O-N 2.9Å; Q15-K17 VanDerWaalsContact C-N 3.27Å; Q15-K17 PolarHBondContact O-N 3.09Å; Q15-I18 PolarHBondContact O-N 3.08Å; Q15-L19 WeakPolarHBondContact O-CB 3.43Å; Q15-L19 WeakPolarHBondContact O-CD1 3.5Å; Q15-L19 VanDerWaalsContact O-CG 3.22Å; Q15-L19 WeakPolarHBondContact O-CG 3.26Å; Q15-L19 PolarHBondContact O-N 3.39Å; Q15-S42 WeakPolarHBondContact CG-O 3.45Å; Q15-S42 PolarHBondContact NE2-O 2.89Å; Q15-S42 VanDerWaalsContact NE2-O 3.09Å; Q15-L44 HydrophobicContact CB-CD1 4.48Å |
| 16 | I | 94.8 | Very high | 91 | Very high | 69 Ų | 69 | 79.4 Ų | 79.4 | 35% | 0.354 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176.5 | -65.8 | 168.1 | 0 | 0 | 0 | 110.2 | L11 A12 E13 L19 E20 | L11-I16 HydrophobicContact CB-CD1 4.15Å; L11-I16 HydrophobicContact CB-CG1 3.74Å; L11-I16 HydrophobicContact CD1-CG1 4.41Å; A12-I16 WeakPolarHBondContact O-CG1 3.22Å; A12-I16 PolarHBondContact O-N 3.05Å; E13-I16 PolarHBondContact O-N 3.31Å; I16-L19 PolarHBondContact O-N 3.27Å; I16-E20 HydrophobicContact CG2-CG 4.16Å; I16-E20 WeakPolarHBondContact O-CB 3.46Å; I16-E20 WeakPolarHBondContact O-CG 3.46Å; I16-E20 PolarHBondContact O-N 2.98Å |
| 17 | K | 95.9 | Very high | 91.9 | Very high | 138 Ų | 138 | 80 Ų | 80 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 179.2 | -172.3 | -177.9 | 177.8 | -170.7 | 0 | 111.8 | E13 D14 Q15 E21 | E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 PolarHBondContact O-N 3.03Å; D14-K17 WeakPolarHBondContact O-CB 3.35Å; D14-K17 PolarHBondContact O-N 3.36Å; Q15-K17 VanDerWaalsContact C-N 3.27Å; Q15-K17 PolarHBondContact O-N 3.09Å; K17-E21 VanDerWaalsContact O-CB 3.26Å; K17-E21 WeakPolarHBondContact O-CB 3.37Å; K17-E21 PolarHBondContact O-N 2.99Å |
| 18 | I | 96.3 | Very high | 93 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.7 | -66.4 | 164.1 | 0 | 0 | 0 | 110.6 | D14 Q15 E21 N22 E41 | D14-I18 WeakPolarHBondContact O-CG1 3.33Å; D14-I18 PolarHBondContact O-N 3.43Å; Q15-I18 PolarHBondContact O-N 3.08Å; I18-E21 PolarHBondContact O-N 2.65Å; I18-N22 WeakPolarHBondContact O-CB 3.4Å; I18-N22 PolarHBondContact O-N 3.44Å; I18-N22 PolarHBondContact O-ND2 3.1Å; I18-E41 HydrophobicContact CG2-CB 4.14Å |
| 19 | L | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 179.1 | -69.5 | 167 | 0 | 0 | 0 | 112.2 | L11 Q15 I16 E21 N22 F23 I38 L44 T49 W52 F53 | L11-L19 HydrophobicContact CD1-CD1 3.74Å; Q15-L19 WeakPolarHBondContact O-CB 3.43Å; Q15-L19 WeakPolarHBondContact O-CD1 3.5Å; Q15-L19 VanDerWaalsContact O-CG 3.22Å; Q15-L19 WeakPolarHBondContact O-CG 3.26Å; Q15-L19 PolarHBondContact O-N 3.39Å; I16-L19 PolarHBondContact O-N 3.27Å; L19-E21 PolarHBondContact O-N 2.99Å; L19-N22 PolarHBondContact O-N 3.03Å; L19-F23 VanDerWaalsContact O-CB 3.23Å; L19-F23 WeakPolarHBondContact O-CB 3.35Å; L19-F23 PolarHBondContact O-N 2.84Å; L19-I38 HydrophobicContact CD2-CG2 3.86Å; L19-L44 HydrophobicContact CD1-CD1 3.74Å; L19-L44 HydrophobicContact CD2-CD1 4.46Å; L19-L44 HydrophobicContact CG-CD1 4.43Å; L19-T49 HydrophobicContact CD2-CG2 3.86Å; L19-W52 HydrophobicContact CB-CD2 3.88Å; L19-W52 HydrophobicContact CB-CE3 3.79Å; L19-W52 HydrophobicContact CB-CH2 3.82Å; L19-W52 HydrophobicContact CB-CZ2 3.89Å; L19-W52 HydrophobicContact CB-CZ3 3.78Å; L19-W52 HydrophobicContact CD1-CB 4.29Å; L19-W52 HydrophobicContact CD1-CD2 3.82Å; L19-W52 HydrophobicContact CD1-CE3 4.4Å; L19-W52 HydrophobicContact CD1-CG 3.73Å; L19-W52 HydrophobicContact CD2-CD2 4.44Å; L19-W52 HydrophobicContact CD2-CE3 4.25Å; L19-W52 HydrophobicContact CG-CD2 4.28Å; L19-W52 HydrophobicContact CG-CE3 4.39Å; L19-F53 HydrophobicContact CD2-CD2 4.36Å; L19-F53 HydrophobicContact CD2-CE2 3.89Å |
| 20 | E | 96 | Very high | 94 | Very high | 53 Ų | 53 | 76.4 Ų | 76.4 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.2 | -81.2 | -80.2 | 79.7 | 0 | 0 | 111.7 | I16 F23 N24 W52 R56 | I16-E20 HydrophobicContact CG2-CG 4.16Å; I16-E20 WeakPolarHBondContact O-CB 3.46Å; I16-E20 WeakPolarHBondContact O-CG 3.46Å; I16-E20 PolarHBondContact O-N 2.98Å; E20-F23 PolarHBondContact O-N 2.89Å; E20-N24 WeakPolarHBondContact O-CB 3.34Å; E20-N24 PolarHBondContact O-N 2.86Å; E20-N24 PolarHBondContact O-ND2 2.86Å; E20-W52 HydrophobicContact CG-CH2 4.04Å; E20-W52 HydrophobicContact CG-CZ2 3.95Å; E20-W52 WeakPolarHBondContact OE1-CH2 3.49Å; E20-R56 IonicContact OE1-CZ 3.4Å; E20-R56 IonicContact OE1-NE 2.69Å; E20-R56 PolarHBondContact OE1-NE 3.3Å; E20-R56 IonicContact OE1-NH2 3.24Å; E20-R56 PolarHBondContact OE1-NH2 3.1Å; E20-R56 IonicContact OE2-CZ 3.76Å; E20-R56 IonicContact OE2-NE 3.78Å; E20-R56 IonicContact OE2-NH2 2.99Å; E20-R56 PolarHBondContact OE2-NH2 3.45Å |
| 21 | E | 96.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 71.6 Ų | 71.6 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 179 | -174.3 | 170.4 | 139.7 | 0 | 0 | 110.8 | K17 I18 L19 F23 N24 R25 | K17-E21 VanDerWaalsContact O-CB 3.26Å; K17-E21 WeakPolarHBondContact O-CB 3.37Å; K17-E21 PolarHBondContact O-N 2.99Å; I18-E21 PolarHBondContact O-N 2.65Å; L19-E21 PolarHBondContact O-N 2.99Å; E21-F23 PolarHBondContact O-N 3.24Å; E21-N24 PolarHBondContact O-N 2.69Å; E21-R25 VanDerWaalsContact CG-CD 3.42Å; E21-R25 HydrophobicContact CG-CG 4.24Å; E21-R25 VanDerWaalsContact O-CB 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.24Å; E21-R25 WeakPolarHBondContact O-CG 3.31Å; E21-R25 PolarHBondContact O-N 2.87Å; E21-R25 IonicContact OE1-CZ 3.84Å; E21-R25 IonicContact OE1-NH1 2.79Å; E21-R25 PolarHBondContact OE1-NH1 3.46Å |
| 22 | N | 96.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 77.9 Ų | 77.9 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.4 | -82.8 | -74.8 | 0 | 0 | 0 | 112.3 | I18 L19 N24 V26 S27 I38 F53 | I18-N22 WeakPolarHBondContact O-CB 3.4Å; I18-N22 PolarHBondContact O-N 3.44Å; I18-N22 PolarHBondContact O-ND2 3.1Å; L19-N22 PolarHBondContact O-N 3.03Å; N22-N24 VanDerWaalsContact C-N 3.28Å; N22-N24 PolarHBondContact O-N 3.49Å; N22-V26 HydrophobicContact CB-CG2 4.5Å; N22-V26 WeakPolarHBondContact O-CA 3.45Å; N22-V26 VanDerWaalsContact O-CB 3.28Å; N22-V26 WeakPolarHBondContact O-CB 3.14Å; N22-V26 PolarHBondContact O-N 2.98Å; N22-V26 WeakPolarHBondContact OD1-CG2 3.45Å; N22-S27 PolarHBondContact O-N 3.24Å; N22-I38 HydrophobicContact CB-CD1 3.74Å; N22-I38 HydrophobicContact CB-CG1 3.96Å; N22-I38 HydrophobicContact CB-CG2 4.31Å; N22-F53 HydrophobicContact CB-CZ 4.23Å |
| 23 | F | 95.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.009 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 175.8 | -175.8 | -100.5 | 0 | 0 | 0 | 112.3 | L19 E20 E21 K28 W52 F53 R56 N57 W60 | L19-F23 VanDerWaalsContact O-CB 3.23Å; L19-F23 WeakPolarHBondContact O-CB 3.35Å; L19-F23 PolarHBondContact O-N 2.84Å; E20-F23 PolarHBondContact O-N 2.89Å; E21-F23 PolarHBondContact O-N 3.24Å; F23-K28 HydrophobicContact CD1-CD 3.66Å; F23-K28 HydrophobicContact CD2-CD 3.99Å; F23-K28 HydrophobicContact CE1-CD 3.18Å; F23-K28 VanDerWaalsContact CE1-NZ 3.34Å; F23-K28 HydrophobicContact CE2-CB 4.08Å; F23-K28 HydrophobicContact CE2-CD 3.57Å; F23-K28 HydrophobicContact CE2-CG 4.45Å; F23-K28 HydrophobicContact CG-CD 4.04Å; F23-K28 HydrophobicContact CZ-CB 4.32Å; F23-K28 HydrophobicContact CZ-CD 3.14Å; F23-K28 HydrophobicContact CZ-CG 4.3Å; F23-K28 WeakPolarHBondContact O-CD 3.39Å; F23-K28 PolarHBondContact O-NZ 2.87Å; F23-W52 HydrophobicContact CB-CH2 4.18Å; F23-W52 HydrophobicContact CB-CZ3 3.91Å; F23-W52 HydrophobicContact CD2-CZ3 4.22Å; F23-W52 HydrophobicContact CG-CH2 4.47Å; F23-W52 HydrophobicContact CG-CZ3 4.18Å; F23-F53 HydrophobicContact CB-CE1 3.98Å; F23-F53 HydrophobicContact CB-CZ 4.24Å; F23-F53 AromaticContact CD2-CD1 3.68Å; F23-F53 HydrophobicContact CD2-CD1 3.68Å; F23-F53 AromaticContact CD2-CE1 3.74Å; F23-F53 HydrophobicContact CD2-CE1 3.74Å; F23-F53 HydrophobicContact CE2-CD1 4.4Å; F23-F53 HydrophobicContact CG-CE1 4.37Å; F23-R56 HydrophobicContact CD1-CG 3.74Å; F23-R56 HydrophobicContact CD2-CB 4.32Å; F23-R56 HydrophobicContact CD2-CG 4.02Å; F23-R56 HydrophobicContact CE1-CG 3.53Å; F23-R56 HydrophobicContact CE2-CB 4.02Å; F23-R56 HydrophobicContact CE2-CG 3.83Å; F23-R56 HydrophobicContact CG-CG 3.98Å; F23-R56 HydrophobicContact CZ-CB 4.14Å; F23-R56 HydrophobicContact CZ-CG 3.57Å; F23-N57 HydrophobicContact CE2-CB 4.12Å; F23-N57 HydrophobicContact CZ-CB 4.38Å; F23-W60 HydrophobicContact CE1-CB 4.18Å; F23-W60 HydrophobicContact CE1-CG 4.36Å; F23-W60 HydrophobicContact CZ-CB 4.01Å; F23-W60 HydrophobicContact CZ-CG 4.38Å |
| 24 | N | 93.8 | Very high | 94.6 | Very high | 93 Ų | 93 | 72.4 Ų | 72.4 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -83.5 | -33.7 | -177.7 | -70.6 | -45.3 | 0 | 0 | 0 | 114.3 | E20 E21 N22 K28 | E20-N24 WeakPolarHBondContact O-CB 3.34Å; E20-N24 PolarHBondContact O-N 2.86Å; E20-N24 PolarHBondContact O-ND2 2.86Å; E21-N24 PolarHBondContact O-N 2.69Å; N22-N24 VanDerWaalsContact C-N 3.28Å; N22-N24 PolarHBondContact O-N 3.49Å; N24-K28 PolarHBondContact OD1-NZ 3.49Å |
| 25 | R | 94.4 | Very high | 94.7 | Very high | 191 Ų | 191 | 68 Ų | 68 | 72% | 0.721 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -103.6 | -30.4 | -171.8 | -59.8 | 178.6 | 72.4 | -179.2 | 3.5 | 114 | E21 | E21-R25 VanDerWaalsContact CG-CD 3.42Å; E21-R25 HydrophobicContact CG-CG 4.24Å; E21-R25 VanDerWaalsContact O-CB 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.24Å; E21-R25 WeakPolarHBondContact O-CG 3.31Å; E21-R25 PolarHBondContact O-N 2.87Å; E21-R25 IonicContact OE1-CZ 3.84Å; E21-R25 IonicContact OE1-NH1 2.79Å; E21-R25 PolarHBondContact OE1-NH1 3.46Å |
| 26 | V | 93.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -68.7 | -174.5 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | N22 T34 | N22-V26 HydrophobicContact CB-CG2 4.5Å; N22-V26 WeakPolarHBondContact O-CA 3.45Å; N22-V26 VanDerWaalsContact O-CB 3.28Å; N22-V26 WeakPolarHBondContact O-CB 3.14Å; N22-V26 PolarHBondContact O-N 2.98Å; N22-V26 WeakPolarHBondContact OD1-CG2 3.45Å; V26-T34 HydrophobicContact CG1-CG2 3.87Å |
| 27 | S | 91.9 | Very high | 94.9 | Very high | 44 Ų | 44 | 73.4 Ų | 73.4 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | trans | -164.6 | 145.6 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | N22 H29 F53 | N22-S27 PolarHBondContact O-N 3.24Å; S27-H29 PolarHBondContact O-N 2.89Å; S27-H29 PolarHBondContact OG-N 2.74Å; S27-H29 PolarHBondContact OG-O 3.45Å; S27-F53 WeakPolarHBondContact O-CE1 3.38Å | ||
| 28 | K | 92 | Very high | 94.9 | Very high | 42 Ų | 42 | 67 Ų | 67 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -74.1 | -15.8 | 167.6 | -54.2 | -70.1 | 179 | -132 | 0 | 112.3 | F23 N24 W60 | F23-K28 HydrophobicContact CD1-CD 3.66Å; F23-K28 HydrophobicContact CD2-CD 3.99Å; F23-K28 HydrophobicContact CE1-CD 3.18Å; F23-K28 VanDerWaalsContact CE1-NZ 3.34Å; F23-K28 HydrophobicContact CE2-CB 4.08Å; F23-K28 HydrophobicContact CE2-CD 3.57Å; F23-K28 HydrophobicContact CE2-CG 4.45Å; F23-K28 HydrophobicContact CG-CD 4.04Å; F23-K28 HydrophobicContact CZ-CB 4.32Å; F23-K28 HydrophobicContact CZ-CD 3.14Å; F23-K28 HydrophobicContact CZ-CG 4.3Å; F23-K28 WeakPolarHBondContact O-CD 3.39Å; F23-K28 PolarHBondContact O-NZ 2.87Å; N24-K28 PolarHBondContact OD1-NZ 3.49Å; K28-W60 HydrophobicContact CD-CD2 4.39Å |
| 29 | H | 91.4 | Very high | 94.9 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -136.6 | 71.4 | -176 | -70.3 | -81 | 0 | 0 | 0 | 109.2 | S27 N57 R61 | S27-H29 PolarHBondContact O-N 2.89Å; S27-H29 PolarHBondContact OG-N 2.74Å; S27-H29 PolarHBondContact OG-O 3.45Å; H29-N57 PolarHBondContact CE1-ND2 3.2Å; H29-N57 PolarHBondContact NE2-ND2 3.49Å; H29-N57 VanDerWaalsContact NE2-ND2 3.11Å; H29-R61 PolarHBondContact CE1-NH2 3Å; H29-R61 PolarHBondContact NE2-NH2 2.74Å |
| 30 | P | 92.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 69 Ų | 69 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | trans | -62.6 | 139.3 | 175.4 | 27.9 | -35 | 0 | 0 | 0 | 110 | T34 L35 I38 F53 | P30-T34 HydrophobicContact CB-CG2 3.7Å; P30-L35 HydrophobicContact CG-CD1 3.95Å; P30-I38 HydrophobicContact CB-CD1 4.39Å; P30-F53 HydrophobicContact CG-CD1 3.53Å; P30-F53 HydrophobicContact CG-CD2 4.43Å; P30-F53 HydrophobicContact CG-CE1 3.64Å; P30-F53 HydrophobicContact CG-CG 3.96Å; P30-F53 HydrophobicContact CG-CZ 4.16Å | ||
| 31 | D | 94.8 | Very high | 94.9 | Very high | 88 Ų | 88 | 72.3 Ų | 72.3 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | trans | -70.9 | 170.9 | 165.1 | 63.4 | -83.7 | 0 | 0 | 0 | 110.7 | S33 T34 L35 | D31-S33 VanDerWaalsContact C-N 3.26Å; D31-S33 PolarHBondContact O-N 3.32Å; D31-S33 WeakPolarHBondContact OD2-CA 3.35Å; D31-S33 VanDerWaalsContact OD2-CB 3.29Å; D31-S33 WeakPolarHBondContact OD2-CB 3.47Å; D31-S33 PolarHBondContact OD2-N 3.13Å; D31-T34 PolarHBondContact O-N 2.76Å; D31-T34 WeakPolarHBondContact OD1-CB 3.41Å; D31-T34 PolarHBondContact OD1-OG1 2.9Å; D31-T34 PolarHBondContact OD2-N 2.94Å; D31-T34 VanDerWaalsContact OD2-N 3.15Å; D31-L35 WeakPolarHBondContact O-CB 3.31Å; D31-L35 PolarHBondContact O-N 3.45Å | ||
| 32 | E | 94.2 | Very high | 94.8 | Very high | 158 Ų | 158 | 68.2 Ų | 68.2 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.2 | -39.6 | -177.3 | -171.5 | 173.2 | 91.9 | 0 | 0 | 113 | L35 M36 | E32-L35 PolarHBondContact O-N 3.33Å; E32-M36 WeakPolarHBondContact O-CB 3.49Å; E32-M36 PolarHBondContact O-N 3.18Å |
| 33 | S | 95.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 70.2 Ų | 70.2 | 57% | 0.573 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.5 | -44.5 | -177.5 | -46.3 | 0 | 0 | 0 | 0 | 110.7 | D31 L35 M36 L37 | D31-S33 VanDerWaalsContact C-N 3.26Å; D31-S33 PolarHBondContact O-N 3.32Å; D31-S33 WeakPolarHBondContact OD2-CA 3.35Å; D31-S33 VanDerWaalsContact OD2-CB 3.29Å; D31-S33 WeakPolarHBondContact OD2-CB 3.47Å; D31-S33 PolarHBondContact OD2-N 3.13Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 2.91Å; S33-M36 PolarHBondContact O-N 3.07Å; S33-L37 WeakPolarHBondContact O-CG 3.41Å; S33-L37 PolarHBondContact O-N 3.23Å |
| 34 | T | 95.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111 | V26 P30 D31 M36 L37 I38 | V26-T34 HydrophobicContact CG1-CG2 3.87Å; P30-T34 HydrophobicContact CB-CG2 3.7Å; D31-T34 PolarHBondContact O-N 2.76Å; D31-T34 WeakPolarHBondContact OD1-CB 3.41Å; D31-T34 PolarHBondContact OD1-OG1 2.9Å; D31-T34 PolarHBondContact OD2-N 2.94Å; D31-T34 VanDerWaalsContact OD2-N 3.15Å; T34-M36 PolarHBondContact O-N 2.79Å; T34-L37 PolarHBondContact O-N 3.31Å; T34-I38 HydrophobicContact CG2-CD1 3.83Å; T34-I38 WeakPolarHBondContact O-CD1 3.43Å; T34-I38 VanDerWaalsContact O-CG1 3.25Å; T34-I38 WeakPolarHBondContact O-CG1 3.28Å; T34-I38 PolarHBondContact O-N 3.32Å; T34-I38 VanDerWaalsContact O-N 3.1Å |
| 35 | L | 96.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 70.3 Ų | 70.3 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 178.5 | -168.7 | 107.2 | 0 | 0 | 0 | 112 | P30 D31 E32 S33 L37 I38 A39 E46 T49 A50 | P30-L35 HydrophobicContact CG-CD1 3.95Å; D31-L35 WeakPolarHBondContact O-CB 3.31Å; D31-L35 PolarHBondContact O-N 3.45Å; E32-L35 PolarHBondContact O-N 3.33Å; S33-L35 VanDerWaalsContact C-N 3.32Å; S33-L35 PolarHBondContact O-N 2.91Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.94Å; L35-I38 PolarHBondContact O-N 3.45Å; L35-A39 WeakPolarHBondContact O-CB 3.23Å; L35-A39 PolarHBondContact O-N 3.14Å; L35-E46 HydrophobicContact CD2-CB 3.94Å; L35-E46 HydrophobicContact CD2-CG 4.46Å; L35-E46 WeakPolarHBondContact CD2-O 3.43Å; L35-T49 HydrophobicContact CD1-CG2 4.02Å; L35-T49 HydrophobicContact CG-CG2 4.03Å; L35-A50 HydrophobicContact CD1-CB 3.99Å; L35-A50 HydrophobicContact CD2-CB 4.04Å |
| 36 | M | 96.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 176.5 | -174.2 | -170.2 | -177.4 | 0 | 0 | 111.9 | E32 S33 T34 A39 A40 | E32-M36 WeakPolarHBondContact O-CB 3.49Å; E32-M36 PolarHBondContact O-N 3.18Å; S33-M36 PolarHBondContact O-N 3.07Å; T34-M36 PolarHBondContact O-N 2.79Å; M36-A39 PolarHBondContact O-N 2.97Å; M36-A40 PolarHBondContact O-N 3.26Å |
| 37 | L | 97.1 | Very high | 95 | Very high | 113 Ų | 113 | 69.3 Ų | 69.3 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.8 | -47.8 | 176.8 | -67.9 | 171.4 | 0 | 0 | 0 | 111.3 | S33 T34 L35 A39 A40 E41 | S33-L37 WeakPolarHBondContact O-CG 3.41Å; S33-L37 PolarHBondContact O-N 3.23Å; T34-L37 PolarHBondContact O-N 3.31Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.94Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 3.4Å; L37-A40 WeakPolarHBondContact O-CB 3.34Å; L37-A40 PolarHBondContact O-N 3.47Å; L37-E41 WeakPolarHBondContact O-CG 3.33Å; L37-E41 PolarHBondContact O-N 3.29Å |
| 38 | I | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | -179.8 | -61.4 | 162.9 | 0 | 0 | 0 | 111.3 | L19 N22 P30 T34 L35 A40 E41 S42 T49 F53 | L19-I38 HydrophobicContact CD2-CG2 3.86Å; N22-I38 HydrophobicContact CB-CD1 3.74Å; N22-I38 HydrophobicContact CB-CG1 3.96Å; N22-I38 HydrophobicContact CB-CG2 4.31Å; P30-I38 HydrophobicContact CB-CD1 4.39Å; T34-I38 HydrophobicContact CG2-CD1 3.83Å; T34-I38 WeakPolarHBondContact O-CD1 3.43Å; T34-I38 VanDerWaalsContact O-CG1 3.25Å; T34-I38 WeakPolarHBondContact O-CG1 3.28Å; T34-I38 PolarHBondContact O-N 3.32Å; T34-I38 VanDerWaalsContact O-N 3.1Å; L35-I38 PolarHBondContact O-N 3.45Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-E41 PolarHBondContact O-N 3.1Å; I38-S42 WeakPolarHBondContact O-CB 3.41Å; I38-S42 PolarHBondContact O-N 3.39Å; I38-S42 PolarHBondContact O-OG 3.45Å; I38-T49 HydrophobicContact CB-CG2 4.25Å; I38-T49 HydrophobicContact CG2-CG2 3.95Å; I38-F53 HydrophobicContact CD1-CE2 4.15Å; I38-F53 HydrophobicContact CD1-CZ 3.81Å; I38-F53 HydrophobicContact CG2-CE2 4.2Å |
| 39 | A | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L35 M36 L37 S42 G43 L44 E46 T49 | L35-A39 WeakPolarHBondContact O-CB 3.23Å; L35-A39 PolarHBondContact O-N 3.14Å; M36-A39 PolarHBondContact O-N 2.97Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 3.4Å; A39-S42 PolarHBondContact O-N 2.87Å; A39-S42 PolarHBondContact O-OG 2.83Å; A39-G43 PolarHBondContact O-N 3.3Å; A39-L44 CarbonylContact C-O 3.45Å; A39-L44 WeakPolarHBondContact CB-O 3.4Å; A39-L44 PolarHBondContact O-N 3.06Å; A39-L44 VanDerWaalsContact O-O 3.09Å; A39-E46 HydrophobicContact CB-CG 4.09Å; A39-T49 WeakPolarHBondContact CA-OG1 3.39Å; A39-T49 WeakPolarHBondContact CB-OG1 3.48Å |
| 40 | A | 96.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 65% | 0.653 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | M36 L37 I38 G43 | M36-A40 PolarHBondContact O-N 3.26Å; L37-A40 WeakPolarHBondContact O-CB 3.34Å; L37-A40 PolarHBondContact O-N 3.47Å; I38-A40 VanDerWaalsContact C-N 3.34Å; A40-G43 PolarHBondContact O-N 3.18Å |
| 41 | E | 95.5 | Very high | 95.6 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 178.2 | -72.1 | 179 | 93 | 0 | 0 | 112.6 | I18 L37 I38 G43 | I18-E41 HydrophobicContact CG2-CB 4.14Å; L37-E41 WeakPolarHBondContact O-CG 3.33Å; L37-E41 PolarHBondContact O-N 3.29Å; I38-E41 PolarHBondContact O-N 3.1Å; E41-G43 VanDerWaalsContact C-N 3.31Å |
| 42 | S | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -83.1 | -5.2 | 179.7 | 59.4 | 0 | 0 | 0 | 0 | 114 | Q15 I38 A39 L44 | Q15-S42 WeakPolarHBondContact CG-O 3.45Å; Q15-S42 PolarHBondContact NE2-O 2.89Å; Q15-S42 VanDerWaalsContact NE2-O 3.09Å; I38-S42 WeakPolarHBondContact O-CB 3.41Å; I38-S42 PolarHBondContact O-N 3.39Å; I38-S42 PolarHBondContact O-OG 3.45Å; A39-S42 PolarHBondContact O-N 2.87Å; A39-S42 PolarHBondContact O-OG 2.83Å; S42-L44 PolarHBondContact O-N 3.45Å |
| 43 | G | 95.7 | Very high | 95.6 | Very high | 64 Ų | 64 | 57 Ų | 57 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 27.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A39 A40 E41 | A39-G43 PolarHBondContact O-N 3.3Å; A40-G43 PolarHBondContact O-N 3.18Å; E41-G43 VanDerWaalsContact C-N 3.31Å |
| 44 | L | 95.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | trans | -105.3 | 166.1 | 177.9 | -67.2 | 176.6 | 0 | 0 | 0 | 110.9 | L11 Q15 L19 A39 S42 E48 | L11-L44 HydrophobicContact CD1-CD1 4.5Å; L11-L44 HydrophobicContact CD2-CD1 3.89Å; L11-L44 HydrophobicContact CD2-CD2 3.68Å; L11-L44 HydrophobicContact CD2-CG 4.46Å; Q15-L44 HydrophobicContact CB-CD1 4.48Å; L19-L44 HydrophobicContact CD1-CD1 3.74Å; L19-L44 HydrophobicContact CD2-CD1 4.46Å; L19-L44 HydrophobicContact CG-CD1 4.43Å; A39-L44 CarbonylContact C-O 3.45Å; A39-L44 WeakPolarHBondContact CB-O 3.4Å; A39-L44 PolarHBondContact O-N 3.06Å; A39-L44 VanDerWaalsContact O-O 3.09Å; S42-L44 PolarHBondContact O-N 3.45Å; L44-E48 HydrophobicContact CB-CB 4.41Å | ||
| 45 | T | 95.6 | Very high | 95.2 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | trans | -76.5 | 157.3 | 166.8 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | E47 E48 T49 | T45-E47 PolarHBondContact O-N 3.35Å; T45-E48 PolarHBondContact N-OE2 2.74Å; T45-E48 VanDerWaalsContact N-OE2 3.13Å; T45-E48 PolarHBondContact O-N 3.39Å; T45-E48 WeakPolarHBondContact OG1-CB 3.44Å; T45-E48 VanDerWaalsContact OG1-CG 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.42Å; T45-E48 PolarHBondContact OG1-N 2.86Å; T45-E48 PolarHBondContact OG1-OE2 2.99Å; T45-T49 WeakPolarHBondContact O-CB 3.45Å; T45-T49 PolarHBondContact O-N 3.42Å; T45-T49 PolarHBondContact O-OG1 2.87Å | ||
| 46 | E | 95.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 65.1 Ų | 65.1 | 43% | 0.425 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 173 | -67.8 | 175.8 | 83.7 | 0 | 0 | 111.3 | L35 A39 T49 A50 | L35-E46 HydrophobicContact CD2-CB 3.94Å; L35-E46 HydrophobicContact CD2-CG 4.46Å; L35-E46 WeakPolarHBondContact CD2-O 3.43Å; A39-E46 HydrophobicContact CB-CG 4.09Å; E46-T49 PolarHBondContact O-N 2.95Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 2.82Å |
| 47 | E | 94.6 | Very high | 94.8 | Very high | 163 Ų | 163 | 60.2 Ų | 60.2 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 178.4 | -173.2 | 175.1 | 94.3 | 0 | 0 | 112.2 | T45 A50 K51 | T45-E47 PolarHBondContact O-N 3.35Å; E47-A50 PolarHBondContact O-N 3.47Å; E47-K51 WeakPolarHBondContact O-CB 3.37Å; E47-K51 PolarHBondContact O-N 3.4Å |
| 48 | E | 94.6 | Very high | 94.4 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.1 | -73.6 | 170.9 | 118.5 | 0 | 0 | 111.3 | M9 L44 T45 A50 K51 W52 | M9-E48 HydrophobicContact CE-CB 3.97Å; M9-E48 HydrophobicContact CE-CG 4.4Å; M9-E48 WeakPolarHBondContact CE-O 3.39Å; L44-E48 HydrophobicContact CB-CB 4.41Å; T45-E48 PolarHBondContact N-OE2 2.74Å; T45-E48 VanDerWaalsContact N-OE2 3.13Å; T45-E48 PolarHBondContact O-N 3.39Å; T45-E48 WeakPolarHBondContact OG1-CB 3.44Å; T45-E48 VanDerWaalsContact OG1-CG 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.42Å; T45-E48 PolarHBondContact OG1-N 2.86Å; T45-E48 PolarHBondContact OG1-OE2 2.99Å; E48-A50 PolarHBondContact O-N 3.42Å; E48-K51 PolarHBondContact O-N 3.24Å; E48-W52 WeakPolarHBondContact O-CB 3.47Å; E48-W52 PolarHBondContact O-N 3.32Å |
| 49 | T | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | L19 L35 I38 A39 T45 E46 K51 W52 F53 | L19-T49 HydrophobicContact CD2-CG2 3.86Å; L35-T49 HydrophobicContact CD1-CG2 4.02Å; L35-T49 HydrophobicContact CG-CG2 4.03Å; I38-T49 HydrophobicContact CB-CG2 4.25Å; I38-T49 HydrophobicContact CG2-CG2 3.95Å; A39-T49 WeakPolarHBondContact CA-OG1 3.39Å; A39-T49 WeakPolarHBondContact CB-OG1 3.48Å; T45-T49 WeakPolarHBondContact O-CB 3.45Å; T45-T49 PolarHBondContact O-N 3.42Å; T45-T49 PolarHBondContact O-OG1 2.87Å; E46-T49 PolarHBondContact O-N 2.95Å; T49-K51 VanDerWaalsContact C-N 3.35Å; T49-K51 PolarHBondContact O-N 3.22Å; T49-W52 PolarHBondContact O-N 3.24Å; T49-F53 HydrophobicContact CG2-CD2 3.98Å; T49-F53 HydrophobicContact CG2-CE2 4.02Å; T49-F53 WeakPolarHBondContact O-CD2 3.25Å; T49-F53 PolarHBondContact O-N 3.35Å |
| 50 | A | 94.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 62 Ų | 62 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L35 E46 E47 E48 F53 R54 | L35-A50 HydrophobicContact CD1-CB 3.99Å; L35-A50 HydrophobicContact CD2-CB 4.04Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 2.82Å; E47-A50 PolarHBondContact O-N 3.47Å; E48-A50 PolarHBondContact O-N 3.42Å; A50-F53 PolarHBondContact O-N 3.27Å; A50-R54 WeakPolarHBondContact O-CB 3.19Å; A50-R54 VanDerWaalsContact O-CG 3.24Å; A50-R54 WeakPolarHBondContact O-CG 3.24Å; A50-R54 PolarHBondContact O-N 2.86Å |
| 51 | K | 94.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 176 | -179 | 177.6 | 175.7 | -174.2 | 0 | 111 | M9 E47 E48 T49 R54 L55 | M9-K51 HydrophobicContact CE-CB 4.16Å; M9-K51 HydrophobicContact CE-CD 4.17Å; M9-K51 HydrophobicContact CE-CG 4.25Å; M9-K51 HydrophobicContact SD-CD 4.2Å; M9-K51 HydrophobicContact SD-CG 4.08Å; E47-K51 WeakPolarHBondContact O-CB 3.37Å; E47-K51 PolarHBondContact O-N 3.4Å; E48-K51 PolarHBondContact O-N 3.24Å; T49-K51 VanDerWaalsContact C-N 3.35Å; T49-K51 PolarHBondContact O-N 3.22Å; K51-R54 PolarHBondContact O-N 2.89Å; K51-L55 HydrophobicContact CG-CD1 4.1Å; K51-L55 VanDerWaalsContact O-CG 3.31Å; K51-L55 WeakPolarHBondContact O-CG 3.48Å; K51-L55 PolarHBondContact O-N 3.38Å |
| 52 | W | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 177.3 | -172.1 | 95.8 | 0 | 0 | 0 | 111.6 | M9 L11 L19 E20 F23 E48 T49 R54 L55 R56 | M9-W52 HydrophobicContact CE-CB 4.15Å; M9-W52 HydrophobicContact SD-CB 4.07Å; L11-W52 HydrophobicContact CD1-CG 4.25Å; L19-W52 HydrophobicContact CB-CD2 3.88Å; L19-W52 HydrophobicContact CB-CE3 3.79Å; L19-W52 HydrophobicContact CB-CH2 3.82Å; L19-W52 HydrophobicContact CB-CZ2 3.89Å; L19-W52 HydrophobicContact CB-CZ3 3.78Å; L19-W52 HydrophobicContact CD1-CB 4.29Å; L19-W52 HydrophobicContact CD1-CD2 3.82Å; L19-W52 HydrophobicContact CD1-CE3 4.4Å; L19-W52 HydrophobicContact CD1-CG 3.73Å; L19-W52 HydrophobicContact CD2-CD2 4.44Å; L19-W52 HydrophobicContact CD2-CE3 4.25Å; L19-W52 HydrophobicContact CG-CD2 4.28Å; L19-W52 HydrophobicContact CG-CE3 4.39Å; E20-W52 HydrophobicContact CG-CH2 4.04Å; E20-W52 HydrophobicContact CG-CZ2 3.95Å; E20-W52 WeakPolarHBondContact OE1-CH2 3.49Å; F23-W52 HydrophobicContact CB-CH2 4.18Å; F23-W52 HydrophobicContact CB-CZ3 3.91Å; F23-W52 HydrophobicContact CD2-CZ3 4.22Å; F23-W52 HydrophobicContact CG-CH2 4.47Å; F23-W52 HydrophobicContact CG-CZ3 4.18Å; E48-W52 WeakPolarHBondContact O-CB 3.47Å; E48-W52 PolarHBondContact O-N 3.32Å; T49-W52 PolarHBondContact O-N 3.24Å; W52-R54 VanDerWaalsContact C-N 3.32Å; W52-R54 PolarHBondContact O-N 2.89Å; W52-L55 PolarHBondContact O-N 2.96Å; W52-R56 HydrophobicContact CD2-CB 4.4Å; W52-R56 HydrophobicContact CE3-CB 4.02Å; W52-R56 HydrophobicContact CH2-CB 3.87Å; W52-R56 HydrophobicContact CH2-CG 3.58Å; W52-R56 HydrophobicContact CZ2-CB 4.27Å; W52-R56 HydrophobicContact CZ2-CG 4.14Å; W52-R56 HydrophobicContact CZ3-CB 3.73Å; W52-R56 HydrophobicContact CZ3-CG 3.84Å; W52-R56 WeakPolarHBondContact O-CB 3.46Å; W52-R56 PolarHBondContact O-N 3.4Å |
| 53 | F | 94.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.039 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 178.6 | -92.9 | -97.4 | 0 | 0 | 0 | 112.4 | L19 N22 F23 S27 P30 I38 T49 A50 R56 N57 | L19-F53 HydrophobicContact CD2-CD2 4.36Å; L19-F53 HydrophobicContact CD2-CE2 3.89Å; N22-F53 HydrophobicContact CB-CZ 4.23Å; F23-F53 HydrophobicContact CB-CE1 3.98Å; F23-F53 HydrophobicContact CB-CZ 4.24Å; F23-F53 AromaticContact CD2-CD1 3.68Å; F23-F53 HydrophobicContact CD2-CD1 3.68Å; F23-F53 AromaticContact CD2-CE1 3.74Å; F23-F53 HydrophobicContact CD2-CE1 3.74Å; F23-F53 HydrophobicContact CE2-CD1 4.4Å; F23-F53 HydrophobicContact CG-CE1 4.37Å; S27-F53 WeakPolarHBondContact O-CE1 3.38Å; P30-F53 HydrophobicContact CG-CD1 3.53Å; P30-F53 HydrophobicContact CG-CD2 4.43Å; P30-F53 HydrophobicContact CG-CE1 3.64Å; P30-F53 HydrophobicContact CG-CG 3.96Å; P30-F53 HydrophobicContact CG-CZ 4.16Å; I38-F53 HydrophobicContact CD1-CE2 4.15Å; I38-F53 HydrophobicContact CD1-CZ 3.81Å; I38-F53 HydrophobicContact CG2-CE2 4.2Å; T49-F53 HydrophobicContact CG2-CD2 3.98Å; T49-F53 HydrophobicContact CG2-CE2 4.02Å; T49-F53 WeakPolarHBondContact O-CD2 3.25Å; T49-F53 PolarHBondContact O-N 3.35Å; A50-F53 PolarHBondContact O-N 3.27Å; F53-R56 PolarHBondContact O-N 3.48Å; F53-N57 WeakPolarHBondContact O-CB 3.29Å; F53-N57 PolarHBondContact O-N 3.32Å |
| 54 | R | 91.6 | Very high | 91.5 | Very high | 194 Ų | 194 | 66.1 Ų | 66.1 | 73% | 0.732 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 175.3 | -73.5 | 170.3 | -177.4 | 177.3 | 3.4 | 111.8 | A50 K51 W52 A58 | A50-R54 WeakPolarHBondContact O-CB 3.19Å; A50-R54 VanDerWaalsContact O-CG 3.24Å; A50-R54 WeakPolarHBondContact O-CG 3.24Å; A50-R54 PolarHBondContact O-N 2.86Å; K51-R54 PolarHBondContact O-N 2.89Å; W52-R54 VanDerWaalsContact C-N 3.32Å; W52-R54 PolarHBondContact O-N 2.89Å; R54-A58 PolarHBondContact O-N 3.24Å; R54-A58 VanDerWaalsContact O-N 3.09Å |
| 55 | L | 91.6 | Very high | 90.9 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 178.5 | -69.8 | 168.8 | 0 | 0 | 0 | 111.5 | M6 M9 K51 W52 A58 Q59 | M6-L55 HydrophobicContact CE-CB 4.08Å; M6-L55 HydrophobicContact CG-CB 4.14Å; M6-L55 HydrophobicContact CG-CD1 4.48Å; M9-L55 HydrophobicContact SD-CD1 4.07Å; K51-L55 HydrophobicContact CG-CD1 4.1Å; K51-L55 VanDerWaalsContact O-CG 3.31Å; K51-L55 WeakPolarHBondContact O-CG 3.48Å; K51-L55 PolarHBondContact O-N 3.38Å; W52-L55 PolarHBondContact O-N 2.96Å; L55-A58 PolarHBondContact O-N 3.36Å; L55-Q59 PolarHBondContact O-N 3.13Å; L55-Q59 VanDerWaalsContact O-N 3.1Å |
| 56 | R | 92.8 | Very high | 89.9 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 22% | 0.223 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | -179.7 | -171.5 | 61.2 | 174.9 | 140 | -6 | 112.6 | M6 E20 F23 W52 F53 A58 Q59 W60 | M6-R56 HydrophobicContact CE-CB 3.52Å; M6-R56 VanDerWaalsContact CE-CD 3.44Å; M6-R56 HydrophobicContact CE-CG 4.09Å; M6-R56 VanDerWaalsContact CE-N 3.25Å; E20-R56 IonicContact OE1-CZ 3.4Å; E20-R56 IonicContact OE1-NE 2.69Å; E20-R56 PolarHBondContact OE1-NE 3.3Å; E20-R56 IonicContact OE1-NH2 3.24Å; E20-R56 PolarHBondContact OE1-NH2 3.1Å; E20-R56 IonicContact OE2-CZ 3.76Å; E20-R56 IonicContact OE2-NE 3.78Å; E20-R56 IonicContact OE2-NH2 2.99Å; E20-R56 PolarHBondContact OE2-NH2 3.45Å; F23-R56 HydrophobicContact CD1-CG 3.74Å; F23-R56 HydrophobicContact CD2-CB 4.32Å; F23-R56 HydrophobicContact CD2-CG 4.02Å; F23-R56 HydrophobicContact CE1-CG 3.53Å; F23-R56 HydrophobicContact CE2-CB 4.02Å; F23-R56 HydrophobicContact CE2-CG 3.83Å; F23-R56 HydrophobicContact CG-CG 3.98Å; F23-R56 HydrophobicContact CZ-CB 4.14Å; F23-R56 HydrophobicContact CZ-CG 3.57Å; W52-R56 HydrophobicContact CD2-CB 4.4Å; W52-R56 HydrophobicContact CE3-CB 4.02Å; W52-R56 HydrophobicContact CH2-CB 3.87Å; W52-R56 HydrophobicContact CH2-CG 3.58Å; W52-R56 HydrophobicContact CZ2-CB 4.27Å; W52-R56 HydrophobicContact CZ2-CG 4.14Å; W52-R56 HydrophobicContact CZ3-CB 3.73Å; W52-R56 HydrophobicContact CZ3-CG 3.84Å; W52-R56 WeakPolarHBondContact O-CB 3.46Å; W52-R56 PolarHBondContact O-N 3.4Å; F53-R56 PolarHBondContact O-N 3.48Å; R56-A58 VanDerWaalsContact C-N 3.31Å; R56-A58 PolarHBondContact O-N 2.91Å; R56-Q59 PolarHBondContact O-N 2.89Å; R56-W60 WeakPolarHBondContact O-CB 3.34Å; R56-W60 PolarHBondContact O-N 3.43Å |
| 57 | N | 90.9 | Very high | 88.6 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.053 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 174.7 | -169 | 32.4 | 0 | 0 | 0 | 112.3 | F23 H29 F53 W60 R61 | F23-N57 HydrophobicContact CE2-CB 4.12Å; F23-N57 HydrophobicContact CZ-CB 4.38Å; H29-N57 PolarHBondContact CE1-ND2 3.2Å; H29-N57 PolarHBondContact NE2-ND2 3.49Å; H29-N57 VanDerWaalsContact NE2-ND2 3.11Å; F53-N57 WeakPolarHBondContact O-CB 3.29Å; F53-N57 PolarHBondContact O-N 3.32Å; N57-W60 PolarHBondContact O-N 3.11Å; N57-R61 PolarHBondContact ND2-NH1 3.37Å; N57-R61 PolarHBondContact ND2-NH2 2.86Å; N57-R61 WeakPolarHBondContact O-CB 3.44Å; N57-R61 WeakPolarHBondContact O-CG 3.49Å; N57-R61 PolarHBondContact O-N 3.49Å |
| 58 | A | 87.9 | Confident | 87 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R54 L55 R56 Q62 | R54-A58 PolarHBondContact O-N 3.24Å; R54-A58 VanDerWaalsContact O-N 3.09Å; L55-A58 PolarHBondContact O-N 3.36Å; R56-A58 VanDerWaalsContact C-N 3.31Å; R56-A58 PolarHBondContact O-N 2.91Å; A58-Q62 WeakPolarHBondContact O-CG 3.47Å; A58-Q62 PolarHBondContact O-N 3.39Å; A58-Q62 VanDerWaalsContact O-N 3.13Å |
| 59 | Q | 88.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 174.4 | -72.7 | 179.2 | -1.7 | 0 | 0 | 112.3 | N4 M6 L55 R56 R61 Q62 A63 | N4-Q59 PolarHBondContact OD1-NE2 2.94Å; M6-Q59 HydrophobicContact CE-CG 4.18Å; L55-Q59 PolarHBondContact O-N 3.13Å; L55-Q59 VanDerWaalsContact O-N 3.1Å; R56-Q59 PolarHBondContact O-N 2.89Å; Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 3.09Å; Q59-Q62 PolarHBondContact O-N 3.46Å; Q59-A63 PolarHBondContact O-N 3.49Å |
| 60 | W | 89.4 | Confident | 83.6 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 29% | 0.288 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 178.3 | 175.7 | 73.2 | 0 | 0 | 0 | 111.1 | F23 K28 R56 N57 Q62 A63 E64 L66 | F23-W60 HydrophobicContact CE1-CB 4.18Å; F23-W60 HydrophobicContact CE1-CG 4.36Å; F23-W60 HydrophobicContact CZ-CB 4.01Å; F23-W60 HydrophobicContact CZ-CG 4.38Å; K28-W60 HydrophobicContact CD-CD2 4.39Å; R56-W60 WeakPolarHBondContact O-CB 3.34Å; R56-W60 PolarHBondContact O-N 3.43Å; N57-W60 PolarHBondContact O-N 3.11Å; W60-Q62 PolarHBondContact O-N 2.96Å; W60-A63 WeakPolarHBondContact O-CB 3.29Å; W60-A63 PolarHBondContact O-N 3.38Å; W60-A63 VanDerWaalsContact O-N 3.14Å; W60-E64 HydrophobicContact CD2-CG 4.06Å; W60-E64 HydrophobicContact CG-CG 4.46Å; W60-E64 HydrophobicContact CH2-CG 4.31Å; W60-E64 HydrophobicContact CZ2-CG 3.67Å; W60-E64 WeakPolarHBondContact O-CG 3.49Å; W60-E64 PolarHBondContact O-N 3.15Å; W60-L66 HydrophobicContact CH2-CD1 4.32Å; W60-L66 HydrophobicContact CZ3-CD1 4.3Å |
| 61 | R | 86.6 | Confident | 81.8 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 11% | 0.113 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.3 | -76.9 | -175.4 | 178.6 | 144.3 | 1.4 | 113 | H29 N57 Q59 A63 E64 G65 L66 | H29-R61 PolarHBondContact CE1-NH2 3Å; H29-R61 PolarHBondContact NE2-NH2 2.74Å; N57-R61 PolarHBondContact ND2-NH1 3.37Å; N57-R61 PolarHBondContact ND2-NH2 2.86Å; N57-R61 WeakPolarHBondContact O-CB 3.44Å; N57-R61 WeakPolarHBondContact O-CG 3.49Å; N57-R61 PolarHBondContact O-N 3.49Å; Q59-R61 VanDerWaalsContact C-N 3.35Å; Q59-R61 PolarHBondContact O-N 3.09Å; R61-A63 VanDerWaalsContact C-N 3.3Å; R61-A63 PolarHBondContact O-N 2.86Å; R61-E64 PolarHBondContact O-N 3.25Å; R61-G65 PolarHBondContact O-N 2.96Å; R61-L66 HydrophobicContact CB-CB 4.16Å; R61-L66 HydrophobicContact CG-CB 4.35Å; R61-L66 HydrophobicContact CG-CD1 4.49Å; R61-L66 PolarHBondContact O-N 3.22Å |
| 62 | Q | 84.4 | Confident | 79.9 | Confident | 124 Ų | 124 | 74.1 Ų | 74.1 | 58% | 0.579 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.6 | -40.1 | 176.1 | -71.8 | 176.5 | 22.1 | 0 | 0 | 111.8 | A58 Q59 W60 G65 | A58-Q62 WeakPolarHBondContact O-CG 3.47Å; A58-Q62 PolarHBondContact O-N 3.39Å; A58-Q62 VanDerWaalsContact O-N 3.13Å; Q59-Q62 PolarHBondContact O-N 3.46Å; W60-Q62 PolarHBondContact O-N 2.96Å; Q62-G65 PolarHBondContact O-N 2.96Å |
| 63 | A | 84.5 | Confident | 77.9 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.1 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q59 W60 R61 G65 | Q59-A63 PolarHBondContact O-N 3.49Å; W60-A63 WeakPolarHBondContact O-CB 3.29Å; W60-A63 PolarHBondContact O-N 3.38Å; W60-A63 VanDerWaalsContact O-N 3.14Å; R61-A63 VanDerWaalsContact C-N 3.3Å; R61-A63 PolarHBondContact O-N 2.86Å; A63-G65 PolarHBondContact O-N 3.25Å |
| 64 | E | 83.9 | Confident | 75.8 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -2.9 | 175.5 | -64.9 | -68.1 | 110.7 | 0 | 0 | 113.3 | W60 R61 L66 | W60-E64 HydrophobicContact CD2-CG 4.06Å; W60-E64 HydrophobicContact CG-CG 4.46Å; W60-E64 HydrophobicContact CH2-CG 4.31Å; W60-E64 HydrophobicContact CZ2-CG 3.67Å; W60-E64 WeakPolarHBondContact O-CG 3.49Å; W60-E64 PolarHBondContact O-N 3.15Å; R61-E64 PolarHBondContact O-N 3.25Å; E64-L66 HydrophobicContact CB-CD1 3.99Å; E64-L66 HydrophobicContact CB-CG 3.98Å; E64-L66 PolarHBondContact O-N 3.09Å |
| 65 | G | 81.9 | Confident | 73.8 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 15.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R61 Q62 A63 | R61-G65 PolarHBondContact O-N 2.96Å; Q62-G65 PolarHBondContact O-N 2.96Å; A63-G65 PolarHBondContact O-N 3.25Å |
| 66 | L | 75.7 | Confident | 72.9 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 44% | 0.44 | 53% | 0.533 | S | S | . | . | trans | -82 | 144.5 | 177.1 | -66.6 | 171.5 | 0 | 0 | 0 | 110.6 | W60 R61 E64 | W60-L66 HydrophobicContact CH2-CD1 4.32Å; W60-L66 HydrophobicContact CZ3-CD1 4.3Å; R61-L66 HydrophobicContact CB-CB 4.16Å; R61-L66 HydrophobicContact CG-CB 4.35Å; R61-L66 HydrophobicContact CG-CD1 4.49Å; R61-L66 PolarHBondContact O-N 3.22Å; E64-L66 HydrophobicContact CB-CD1 3.99Å; E64-L66 HydrophobicContact CB-CG 3.98Å; E64-L66 PolarHBondContact O-N 3.09Å | ||
| 67 | P | 67.8 | Low | 71.8 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 40% | 0.403 | 55% | 0.549 | S | S | . | . | trans | -60.2 | 146.5 | 173.2 | 25.1 | -32.5 | 0 | 0 | 0 | 110.5 | Q69 | P67-Q69 PolarHBondContact O-N 2.99Š| ||
| 68 | A | 61 | Low | 70.8 | Confident | 66 Ų | 66 | 99.6 Ų | 99.6 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -58.7 | -20.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 69 | Q | 61.2 | Low | 69.8 | Low | 145 Ų | 145 | 103.4 Ų | 103.4 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -115.6 | 130.1 | 177.3 | -63.1 | -168.6 | -10.5 | 0 | 0 | 111.6 | P67 G71 S72 | P67-Q69 PolarHBondContact O-N 2.99Å; Q69-G71 PolarHBondContact O-N 2.99Å; Q69-G71 VanDerWaalsContact O-N 3.09Å; Q69-S72 PolarHBondContact O-N 3.23Å |
| 70 | L | 56.8 | Low | 68.6 | Low | 156 Ų | 156 | 107.1 Ų | 107.1 | 82% | 0.817 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 109.9 | 172.5 | -168 | 74.9 | 0 | 0 | 0 | 108.5 | ||
| 71 | G | 58.6 | Low | 67.3 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 68% | 0.68 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.3 | 0.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q69 V73 | Q69-G71 PolarHBondContact O-N 2.99Å; Q69-G71 VanDerWaalsContact O-N 3.09Å; G71-V73 PolarHBondContact O-N 3.28Å |
| 72 | S | 52.9 | Low | 65.9 | Low | 67 Ų | 67 | 114.8 Ų | 114.8 | 47% | 0.469 | 68% | 0.677 | S | S | . | * | trans | -80.6 | 57.3 | 167.5 | -155.9 | 0 | 0 | 0 | 0 | 110.7 | Q69 K74 | Q69-S72 PolarHBondContact O-N 3.23Å; S72-K74 PolarHBondContact O-N 2.96Å | ||
| 73 | V | 52.7 | Low | 64.4 | Low | 133 Ų | 133 | 114.1 Ų | 114.1 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | trans | -79.7 | 94.3 | 159.4 | -93.9 | 0 | 0 | 0 | 0 | 105.9 | G71 | G71-V73 PolarHBondContact O-N 3.28Š| ||
| 74 | K | 50.9 | Low | 62.8 | Low | 199 Ų | 199 | 116.7 Ų | 116.7 | 87% | 0.865 | 69% | 0.685 | S | S | * | * | trans | -125 | 78.7 | 166.1 | -123.6 | -173.5 | 174.2 | -170.4 | 0 | 107.7 | S72 | S72-K74 PolarHBondContact O-N 2.96Š| ||
| 75 | D | 49.9 | Very low | 60.9 | Low | 233 Ų | 233 | 116.3 Ų | 116.3 | 100% | 1.246 | 70% | 0.695 | S | S | * | * | -145.1 | 0 | 122.9 | -164 | -115.2 | 0 | 0 | 0 | 108 |
Retrieved 75 of 75 residues in 218.1 ms
(Link to these results)