| 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 | 46.8 | Very low | 66.3 | Low | 207 Ų | 207 | 110.6 Ų | 110.6 | 100% | 1.02 | 54% | 0.542 | S | S | * | . | 0 | -33.6 | 0 | -72.6 | -144.1 | -61.9 | 0 | 0 | 114.9 | |||||
| 2 | K | 49.4 | Very low | 67.4 | Low | 184 Ų | 184 | 101.6 Ų | 101.6 | 80% | 0.8 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -79 | -29.6 | 175.2 | -74.5 | -175.9 | 178.6 | 179.3 | 0 | 113.8 | S5 N6 | K2-S5 PolarHBondContact O-N 3.47Å; K2-N6 PolarHBondContact O-N 3.03Å |
| 3 | E | 51.7 | Low | 67.9 | Low | 165 Ų | 165 | 96.3 Ų | 96.3 | 77% | 0.771 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | -179.8 | -80.7 | 164.3 | 145.8 | 0 | 0 | 113 | S5 N6 C7 | E3-S5 VanDerWaalsContact C-N 3.27Å; E3-S5 PolarHBondContact O-N 3.06Å; E3-N6 PolarHBondContact O-N 3.43Å; E3-C7 PolarHBondContact O-N 3.3Å |
| 4 | D | 61.8 | Low | 68.6 | Low | 111 Ų | 111 | 95.5 Ų | 95.5 | 59% | 0.594 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | 177.8 | -60 | -42.7 | 0 | 0 | 0 | 112.3 | L8 | D4-L8 WeakPolarHBondContact O-CG 3.28Å; D4-L8 PolarHBondContact O-N 3.33Å; D4-L8 VanDerWaalsContact O-N 3.12Å |
| 5 | S | 65.4 | Low | 69.3 | Low | 59 Ų | 59 | 90.7 Ų | 90.7 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.2 | -32.8 | 178.8 | -172.9 | 0 | 0 | 0 | 0 | 113 | K2 E3 R9 | K2-S5 PolarHBondContact O-N 3.47Å; E3-S5 VanDerWaalsContact C-N 3.27Å; E3-S5 PolarHBondContact O-N 3.06Å; S5-R9 WeakPolarHBondContact O-CB 3.41Å; S5-R9 PolarHBondContact O-N 2.98Å; S5-R9 VanDerWaalsContact O-N 3.16Å |
| 6 | N | 70.2 | Confident | 69.6 | Low | 91 Ų | 91 | 85.3 Ų | 85.3 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75.1 | -40 | 177.9 | -77.6 | -15.9 | 0 | 0 | 0 | 111.3 | K2 E3 L8 R9 E10 | K2-N6 PolarHBondContact O-N 3.03Å; E3-N6 PolarHBondContact O-N 3.43Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.47Å; N6-R9 WeakPolarHBondContact O-CB 3.49Å; N6-R9 PolarHBondContact O-N 3.39Å; N6-E10 PolarHBondContact O-N 3.12Å |
| 7 | C | 75.7 | Confident | 69.9 | Low | 72 Ų | 72 | 87.6 Ų | 87.6 | 49% | 0.486 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | E3 R9 E10 R11 | E3-C7 PolarHBondContact O-N 3.3Å; C7-R9 PolarHBondContact O-N 2.96Å; C7-E10 PolarHBondContact O-N 3.07Å; C7-R11 WeakPolarHBondContact O-CG 3.37Å; C7-R11 PolarHBondContact O-N 3.12Å |
| 8 | L | 75.7 | Confident | 70.1 | Confident | 31 Ų | 31 | 88.5 Ų | 88.5 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.1 | -72.4 | 169.9 | 0 | 0 | 0 | 112.5 | D4 N6 E10 R11 V12 V35 T39 I43 | D4-L8 WeakPolarHBondContact O-CG 3.28Å; D4-L8 PolarHBondContact O-N 3.33Å; D4-L8 VanDerWaalsContact O-N 3.12Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.47Å; L8-E10 PolarHBondContact O-N 3.32Å; L8-R11 PolarHBondContact O-N 3.33Å; L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 2.76Å; L8-V35 HydrophobicContact CD2-CG1 4.47Å; L8-V35 HydrophobicContact CD2-CG2 3.77Å; L8-T39 HydrophobicContact CD1-CG2 4.15Å; L8-I43 HydrophobicContact CB-CD1 3.85Å |
| 9 | R | 77.5 | Confident | 69.9 | Low | 81 Ų | 81 | 85.9 Ų | 85.9 | 31% | 0.306 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61 | -43 | 176.5 | -177.7 | -178 | 179.4 | 173.3 | 1.9 | 112 | S5 N6 C7 V12 L13 I43 L47 E50 | S5-R9 WeakPolarHBondContact O-CB 3.41Å; S5-R9 PolarHBondContact O-N 2.98Å; S5-R9 VanDerWaalsContact O-N 3.16Å; N6-R9 WeakPolarHBondContact O-CB 3.49Å; N6-R9 PolarHBondContact O-N 3.39Å; C7-R9 PolarHBondContact O-N 2.96Å; R9-V12 PolarHBondContact O-N 3.43Å; R9-L13 HydrophobicContact CG-CD1 4.31Å; R9-L13 WeakPolarHBondContact O-CG 3.33Å; R9-L13 PolarHBondContact O-N 3.22Å; R9-I43 HydrophobicContact CB-CG2 4.31Å; R9-I43 HydrophobicContact CG-CG2 4.38Å; R9-L47 HydrophobicContact CG-CD2 4.4Å; R9-E50 IonicContact CZ-OE1 2.68Å; R9-E50 IonicContact CZ-OE2 3.26Å; R9-E50 IonicContact NH1-OE1 3.68Å; R9-E50 IonicContact NH2-OE1 3.31Å; R9-E50 PolarHBondContact NH2-OE1 3.03Å; R9-E50 IonicContact NH2-OE2 2.97Å; R9-E50 PolarHBondContact NH2-OE2 3.19Å |
| 10 | E | 77.4 | Confident | 69.6 | Low | 124 Ų | 124 | 94.3 Ų | 94.3 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.5 | -41 | 177.3 | -72.8 | -179.9 | -178.2 | 0 | 0 | 112.1 | N6 C7 L8 V12 L13 N14 | N6-E10 PolarHBondContact O-N 3.12Å; C7-E10 PolarHBondContact O-N 3.07Å; L8-E10 PolarHBondContact O-N 3.32Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.47Å; E10-L13 PolarHBondContact O-N 3.37Å; E10-N14 WeakPolarHBondContact O-CB 3.48Å; E10-N14 VanDerWaalsContact O-CG 3.24Å; E10-N14 PolarHBondContact O-N 3.45Å; E10-N14 PolarHBondContact O-ND2 3.3Å |
| 11 | R | 78 | Confident | 69.5 | Low | 92 Ų | 92 | 91 Ų | 91 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 174.2 | -72.3 | 176.4 | 65.1 | -172.2 | -4.4 | 111.9 | C7 L8 N14 L15 F32 D34 | C7-R11 WeakPolarHBondContact O-CG 3.37Å; C7-R11 PolarHBondContact O-N 3.12Å; L8-R11 PolarHBondContact O-N 3.33Å; R11-N14 PolarHBondContact O-N 3.39Å; R11-L15 PolarHBondContact O-N 3.18Å; R11-F32 HydrophobicContact CB-CE1 3.73Å; R11-F32 HydrophobicContact CB-CZ 4.02Å; R11-D34 IonicContact CZ-OD2 3.43Å; R11-D34 IonicContact NH1-OD2 3.51Å; R11-D34 PolarHBondContact NH1-OD2 3.44Å; R11-D34 IonicContact NH2-OD1 3.24Å; R11-D34 PolarHBondContact NH2-OD1 2.63Å; R11-D34 IonicContact NH2-OD2 2.64Å; R11-D34 PolarHBondContact NH2-OD2 2.95Å |
| 12 | V | 78.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.012 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L8 R9 E10 N14 L15 F16 F28 F32 L44 L47 | L8-V12 WeakPolarHBondContact O-CG2 3.47Å; L8-V12 PolarHBondContact O-N 2.76Å; R9-V12 PolarHBondContact O-N 3.43Å; E10-V12 VanDerWaalsContact C-N 3.34Å; E10-V12 PolarHBondContact O-N 3.47Å; V12-N14 VanDerWaalsContact C-N 3.32Å; V12-N14 PolarHBondContact O-N 3.15Å; V12-L15 WeakPolarHBondContact O-CB 2.95Å; V12-L15 PolarHBondContact O-N 3.12Å; V12-F16 HydrophobicContact CG1-CD2 3.94Å; V12-F16 HydrophobicContact CG1-CE2 3.68Å; V12-F16 WeakPolarHBondContact O-CD2 3.33Å; V12-F16 PolarHBondContact O-N 3.12Å; V12-F28 HydrophobicContact CG1-CE1 4.35Å; V12-F32 HydrophobicContact CG2-CE2 4.19Å; V12-F32 HydrophobicContact CG2-CZ 3.86Å; V12-L44 HydrophobicContact CG1-CD2 4.04Å; V12-L47 HydrophobicContact CG1-CD1 3.92Å |
| 13 | L | 74.8 | Confident | 72 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -37 | 177 | -74.1 | 170.9 | 0 | 0 | 0 | 112.6 | R9 E10 F16 K17 L47 L67 | R9-L13 HydrophobicContact CG-CD1 4.31Å; R9-L13 WeakPolarHBondContact O-CG 3.33Å; R9-L13 PolarHBondContact O-N 3.22Å; E10-L13 PolarHBondContact O-N 3.37Å; L13-F16 PolarHBondContact O-N 3.41Å; L13-K17 WeakPolarHBondContact O-CG 3.43Å; L13-K17 PolarHBondContact O-N 3.29Å; L13-L47 HydrophobicContact CD2-CD1 4.3Å; L13-L47 HydrophobicContact CD2-CD2 4.07Å; L13-L47 HydrophobicContact CG-CD2 4.42Å; L13-L67 HydrophobicContact CD2-CD1 4.3Å |
| 14 | N | 77.3 | Confident | 73.1 | Confident | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 175.8 | -73.2 | -21.4 | 0 | 0 | 0 | 111.9 | E10 R11 V12 F16 K17 S18 | E10-N14 WeakPolarHBondContact O-CB 3.48Å; E10-N14 VanDerWaalsContact O-CG 3.24Å; E10-N14 PolarHBondContact O-N 3.45Å; E10-N14 PolarHBondContact O-ND2 3.3Å; R11-N14 PolarHBondContact O-N 3.39Å; V12-N14 VanDerWaalsContact C-N 3.32Å; V12-N14 PolarHBondContact O-N 3.15Å; N14-F16 VanDerWaalsContact C-N 3.32Å; N14-F16 PolarHBondContact O-N 3.43Å; N14-K17 PolarHBondContact O-N 3.16Å; N14-S18 WeakPolarHBondContact O-CB 3.5Å; N14-S18 PolarHBondContact O-N 3.35Å; N14-S18 PolarHBondContact O-OG 3.1Å; N14-S18 VanDerWaalsContact O-OG 3.05Å |
| 15 | L | 79.1 | Confident | 73.7 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 173.9 | -176.6 | 64.3 | 0 | 0 | 0 | 111.5 | R11 V12 S18 S19 L23 F28 E31 F32 | R11-L15 PolarHBondContact O-N 3.18Å; V12-L15 WeakPolarHBondContact O-CB 2.95Å; V12-L15 PolarHBondContact O-N 3.12Å; L15-S18 PolarHBondContact O-N 2.58Å; L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 2.71Å; L15-L23 HydrophobicContact CB-CD1 4.44Å; L15-L23 HydrophobicContact CD2-CD1 3.79Å; L15-L23 HydrophobicContact CG-CD1 3.67Å; L15-F28 HydrophobicContact CD2-CD1 4.03Å; L15-F28 HydrophobicContact CD2-CE1 3.99Å; L15-E31 HydrophobicContact CD1-CB 4.26Å; L15-E31 HydrophobicContact CD1-CG 3.72Å; L15-E31 HydrophobicContact CD2-CB 4.26Å; L15-E31 HydrophobicContact CD2-CG 4.44Å; L15-F32 HydrophobicContact CD2-CD2 4.44Å; L15-F32 HydrophobicContact CD2-CE2 3.72Å |
| 16 | F | 74.7 | Confident | 74.1 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 2% | 0.022 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.2 | -34.6 | 174.5 | -82.3 | -66 | 0 | 0 | 0 | 113.7 | V12 L13 N14 L23 F28 L44 L53 W65 L67 | V12-F16 HydrophobicContact CG1-CD2 3.94Å; V12-F16 HydrophobicContact CG1-CE2 3.68Å; V12-F16 WeakPolarHBondContact O-CD2 3.33Å; V12-F16 PolarHBondContact O-N 3.12Å; L13-F16 PolarHBondContact O-N 3.41Å; N14-F16 VanDerWaalsContact C-N 3.32Å; N14-F16 PolarHBondContact O-N 3.43Å; F16-L23 HydrophobicContact CD1-CD1 3.51Å; F16-L23 HydrophobicContact CD1-CG 4.12Å; F16-L23 HydrophobicContact CD2-CD1 4.4Å; F16-L23 HydrophobicContact CE1-CB 4.09Å; F16-L23 HydrophobicContact CE1-CD1 3.59Å; F16-L23 HydrophobicContact CE1-CG 4.03Å; F16-L23 HydrophobicContact CE2-CD1 4.45Å; F16-L23 HydrophobicContact CG-CD1 3.94Å; F16-L23 HydrophobicContact CZ-CD1 4.07Å; F16-F28 HydrophobicContact CE1-CZ 4.45Å; F16-F28 HydrophobicContact CE2-CE1 4.31Å; F16-F28 AromaticContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CZ-CE1 4.44Å; F16-F28 AromaticContact CZ-CZ 3.65Å; F16-F28 HydrophobicContact CZ-CZ 3.65Å; F16-L44 HydrophobicContact CE2-CD2 3.87Å; F16-L44 HydrophobicContact CZ-CD2 4.04Å; F16-L53 HydrophobicContact CD1-CD2 3.98Å; F16-L53 HydrophobicContact CD2-CD2 3.81Å; F16-L53 HydrophobicContact CE1-CD2 3.66Å; F16-L53 HydrophobicContact CE2-CD1 3.78Å; F16-L53 HydrophobicContact CE2-CD2 3.5Å; F16-L53 VanDerWaalsContact CE2-CD2 3.5Å; F16-L53 HydrophobicContact CE2-CG 4.3Å; F16-L53 HydrophobicContact CG-CD2 4.05Å; F16-L53 HydrophobicContact CZ-CD1 3.88Å; F16-L53 HydrophobicContact CZ-CD2 3.4Å; F16-L53 VanDerWaalsContact CZ-CD2 3.4Å; F16-L53 HydrophobicContact CZ-CG 4.3Å; F16-W65 HydrophobicContact CE1-CB 3.83Å; F16-W65 WeakPolarHBondContact CE1-O 3.4Å; F16-W65 HydrophobicContact CZ-CB 3.61Å; F16-L67 HydrophobicContact CB-CB 4.02Å; F16-L67 HydrophobicContact CB-CD1 4.02Å; F16-L67 HydrophobicContact CB-CD2 4.25Å; F16-L67 HydrophobicContact CB-CG 4.32Å; F16-L67 HydrophobicContact CD1-CB 4.21Å; F16-L67 HydrophobicContact CG-CB 4.35Å; F16-L67 HydrophobicContact CG-CD1 4.37Å |
| 17 | K | 73.6 | Confident | 74.3 | Confident | 125 Ų | 125 | 71.7 Ų | 71.7 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.1 | -36.2 | 175 | -73 | 175.6 | -178.8 | 177.9 | 0 | 112.2 | L13 N14 L67 | L13-K17 WeakPolarHBondContact O-CG 3.43Å; L13-K17 PolarHBondContact O-N 3.29Å; N14-K17 PolarHBondContact O-N 3.16Å; K17-L67 HydrophobicContact CG-CD2 4.31Å |
| 18 | S | 74.3 | Confident | 74.2 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74 | -36.4 | 179 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | N14 L15 | N14-S18 WeakPolarHBondContact O-CB 3.5Å; N14-S18 PolarHBondContact O-N 3.35Å; N14-S18 PolarHBondContact O-OG 3.1Å; N14-S18 VanDerWaalsContact O-OG 3.05Å; L15-S18 PolarHBondContact O-N 2.58Å |
| 19 | S | 66.3 | Low | 74.1 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | trans | -96.8 | 102.8 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | L15 G21 L23 | L15-S19 WeakPolarHBondContact O-CB 3.27Å; L15-S19 PolarHBondContact O-N 2.71Å; S19-G21 PolarHBondContact O-N 3.34Å; S19-L23 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 20 | R | 63.4 | Low | 74 | Confident | 252 Ų | 252 | 75.7 Ų | 75.7 | 95% | 0.951 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -67 | 19.7 | 176.6 | -71.3 | -173.9 | 175.1 | -172.9 | -1.7 | 114.4 | ||
| 21 | G | 68 | Low | 73.7 | Confident | 27 Ų | 27 | 75.2 Ų | 75.2 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -139.5 | 179.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S19 L23 | S19-G21 PolarHBondContact O-N 3.34Å; G21-L23 PolarHBondContact O-N 3.45Å |
| 22 | A | 71.6 | Confident | 73.5 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 126.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L56 W65 Q66 | A22-L56 HydrophobicContact CB-CD1 3.89Å; A22-W65 CarbonylContact C-O 3.54Å; A22-W65 WeakPolarHBondContact CA-O 3.45Å; A22-Q66 HydrophobicContact CB-CB 4.31Å |
| 23 | L | 76.1 | Confident | 73 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.7 | 177.9 | -66.3 | 178.7 | 0 | 0 | 0 | 110.1 | L15 F16 S19 G21 H27 F28 S64 W65 | L15-L23 HydrophobicContact CB-CD1 4.44Å; L15-L23 HydrophobicContact CD2-CD1 3.79Å; L15-L23 HydrophobicContact CG-CD1 3.67Å; F16-L23 HydrophobicContact CD1-CD1 3.51Å; F16-L23 HydrophobicContact CD1-CG 4.12Å; F16-L23 HydrophobicContact CD2-CD1 4.4Å; F16-L23 HydrophobicContact CE1-CB 4.09Å; F16-L23 HydrophobicContact CE1-CD1 3.59Å; F16-L23 HydrophobicContact CE1-CG 4.03Å; F16-L23 HydrophobicContact CE2-CD1 4.45Å; F16-L23 HydrophobicContact CG-CD1 3.94Å; F16-L23 HydrophobicContact CZ-CD1 4.07Å; S19-L23 WeakPolarHBondContact OG-CD2 3.34Å; G21-L23 PolarHBondContact O-N 3.45Å; L23-H27 HydrophobicContact CB-CB 4.46Å; L23-H27 HydrophobicContact CD2-CB 3.94Å; L23-F28 HydrophobicContact CB-CE2 3.87Å; L23-F28 HydrophobicContact CB-CZ 4.03Å; L23-F28 HydrophobicContact CD1-CE1 4.42Å; L23-F28 HydrophobicContact CD1-CZ 4.04Å; L23-S64 CarbonylContact O-C 3.47Å; L23-S64 VanDerWaalsContact O-CA 3.29Å; L23-S64 WeakPolarHBondContact O-CA 3.41Å; L23-W65 PolarHBondContact N-O 3.25Å; L23-W65 PolarHBondContact O-N 3.09Å |
| 24 | T | 75.5 | Confident | 72.9 | Confident | 28 Ų | 28 | 79.6 Ų | 79.6 | 17% | 0.172 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 165.4 | 171.5 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | K26 H27 F28 N58 | T24-K26 PolarHBondContact O-N 3.17Å; T24-K26 VanDerWaalsContact O-N 3.09Å; T24-H27 PolarHBondContact N-ND1 2.67Å; T24-H27 WeakPolarHBondContact O-CB 3.24Å; T24-H27 PolarHBondContact O-N 3.35Å; T24-H27 PolarHBondContact OG1-CE1 2.83Å; T24-H27 PolarHBondContact OG1-ND1 3.49Å; T24-F28 WeakPolarHBondContact O-CD2 3.36Å; T24-N58 WeakPolarHBondContact CG2-ND2 3.44Å |
| 25 | Q | 75.1 | Confident | 72.6 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -49 | -37.8 | 174.8 | -173.4 | 180 | -30.1 | 0 | 0 | 113.2 | H27 F28 E29 L37 | Q25-H27 VanDerWaalsContact C-N 3.25Å; Q25-H27 PolarHBondContact O-N 3.05Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.38Å; Q25-F28 VanDerWaalsContact O-N 3.1Å; Q25-E29 PolarHBondContact NE2-OE1 3.01Å; Q25-E29 PolarHBondContact O-N 3.34Å; Q25-L37 HydrophobicContact CG-CD1 4.23Å; Q25-L37 HydrophobicContact CG-CD2 4.27Å; Q25-L37 VanDerWaalsContact NE2-CD1 3.31Å |
| 26 | K | 72.7 | Confident | 72.2 | Confident | 158 Ų | 158 | 79 Ų | 79 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.3 | -31.6 | 177.1 | -64.6 | -176.7 | 179.3 | 177.3 | 0 | 113.6 | T24 K30 | T24-K26 PolarHBondContact O-N 3.17Å; T24-K26 VanDerWaalsContact O-N 3.09Å; K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.07Å; K26-K30 VanDerWaalsContact O-N 3.13Å |
| 27 | H | 74.2 | Confident | 72 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 41% | 0.407 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.8 | -38.3 | 177.1 | -67.3 | 79.6 | 0 | 0 | 0 | 110.9 | L23 T24 Q25 K30 E31 | L23-H27 HydrophobicContact CB-CB 4.46Å; L23-H27 HydrophobicContact CD2-CB 3.94Å; T24-H27 PolarHBondContact N-ND1 2.67Å; T24-H27 WeakPolarHBondContact O-CB 3.24Å; T24-H27 PolarHBondContact O-N 3.35Å; T24-H27 PolarHBondContact OG1-CE1 2.83Å; T24-H27 PolarHBondContact OG1-ND1 3.49Å; Q25-H27 VanDerWaalsContact C-N 3.25Å; Q25-H27 PolarHBondContact O-N 3.05Å; H27-K30 PolarHBondContact O-N 3.29Å; H27-E31 PolarHBondContact O-N 3.03Å; H27-E31 VanDerWaalsContact O-N 3.12Å |
| 28 | F | 74 | Confident | 72 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.009 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 174 | -66.6 | -74.6 | 0 | 0 | 0 | 111.7 | V12 L15 F16 L23 T24 Q25 K30 F32 L37 I40 L44 W65 | V12-F28 HydrophobicContact CG1-CE1 4.35Å; L15-F28 HydrophobicContact CD2-CD1 4.03Å; L15-F28 HydrophobicContact CD2-CE1 3.99Å; F16-F28 HydrophobicContact CE1-CZ 4.45Å; F16-F28 HydrophobicContact CE2-CE1 4.31Å; F16-F28 AromaticContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CE2-CZ 3.95Å; F16-F28 HydrophobicContact CZ-CE1 4.44Å; F16-F28 AromaticContact CZ-CZ 3.65Å; F16-F28 HydrophobicContact CZ-CZ 3.65Å; L23-F28 HydrophobicContact CB-CE2 3.87Å; L23-F28 HydrophobicContact CB-CZ 4.03Å; L23-F28 HydrophobicContact CD1-CE1 4.42Å; L23-F28 HydrophobicContact CD1-CZ 4.04Å; T24-F28 WeakPolarHBondContact O-CD2 3.36Å; Q25-F28 WeakPolarHBondContact O-CB 3.35Å; Q25-F28 PolarHBondContact O-N 3.38Å; Q25-F28 VanDerWaalsContact O-N 3.1Å; F28-K30 VanDerWaalsContact C-N 3.26Å; F28-K30 PolarHBondContact O-N 2.89Å; F28-F32 HydrophobicContact CD1-CD2 4.06Å; F28-F32 AromaticContact CD1-CE2 3.98Å; F28-F32 HydrophobicContact CD1-CE2 3.98Å; F28-F32 WeakPolarHBondContact O-CA 3.07Å; F28-F32 WeakPolarHBondContact O-CB 3.39Å; F28-F32 PolarHBondContact O-N 2.92Å; F28-L37 HydrophobicContact CB-CD2 4.38Å; F28-I40 HydrophobicContact CD1-CG2 4.17Å; F28-L44 HydrophobicContact CE1-CD2 4.16Å; F28-L44 HydrophobicContact CE2-CD1 4.21Å; F28-L44 HydrophobicContact CZ-CD1 4.19Å; F28-L44 HydrophobicContact CZ-CD2 3.85Å; F28-W65 HydrophobicContact CD2-CE3 4.41Å; F28-W65 HydrophobicContact CD2-CZ3 4.46Å; F28-W65 HydrophobicContact CE2-CD2 4.48Å; F28-W65 AromaticContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CZ3 4.23Å |
| 29 | E | 73.1 | Confident | 72.2 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 176.4 | -71.4 | 170.2 | -175.8 | 0 | 0 | 112.7 | Q25 L37 | Q25-E29 PolarHBondContact NE2-OE1 3.01Å; Q25-E29 PolarHBondContact O-N 3.34Å; E29-L37 HydrophobicContact CG-CD1 3.99Å; E29-L37 HydrophobicContact CG-CD2 4.06Å; E29-L37 HydrophobicContact CG-CG 4.29Å; E29-L37 WeakPolarHBondContact OE1-CD1 3.48Å |
| 30 | K | 76 | Confident | 72.8 | Confident | 172 Ų | 172 | 76.7 Ų | 76.7 | 75% | 0.748 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -76.2 | -44.1 | -179.8 | -170.6 | -179.8 | 178.6 | -173.4 | 0 | 113 | K26 H27 F28 | K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.07Å; K26-K30 VanDerWaalsContact O-N 3.13Å; H27-K30 PolarHBondContact O-N 3.29Å; F28-K30 VanDerWaalsContact C-N 3.26Å; F28-K30 PolarHBondContact O-N 2.89Å |
| 31 | E | 72.2 | Confident | 73.5 | Confident | 115 Ų | 115 | 68.2 Ų | 68.2 | 54% | 0.537 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -84.8 | -30.1 | -175.7 | -75.7 | -74.1 | 158.6 | 0 | 0 | 113 | L15 H27 | L15-E31 HydrophobicContact CD1-CB 4.26Å; L15-E31 HydrophobicContact CD1-CG 3.72Å; L15-E31 HydrophobicContact CD2-CB 4.26Å; L15-E31 HydrophobicContact CD2-CG 4.44Å; H27-E31 PolarHBondContact O-N 3.03Å; H27-E31 VanDerWaalsContact O-N 3.12Å |
| 32 | F | 73.7 | Confident | 74.1 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 4% | 0.044 | 38% | 0.379 | C | S | . | . | trans | -110.8 | 55.6 | 179.1 | -61.1 | -80.8 | 0 | 0 | 0 | 111.4 | R11 V12 L15 F28 D34 V35 I40 | R11-F32 HydrophobicContact CB-CE1 3.73Å; R11-F32 HydrophobicContact CB-CZ 4.02Å; V12-F32 HydrophobicContact CG2-CE2 4.19Å; V12-F32 HydrophobicContact CG2-CZ 3.86Å; L15-F32 HydrophobicContact CD2-CD2 4.44Å; L15-F32 HydrophobicContact CD2-CE2 3.72Å; F28-F32 HydrophobicContact CD1-CD2 4.06Å; F28-F32 AromaticContact CD1-CE2 3.98Å; F28-F32 HydrophobicContact CD1-CE2 3.98Å; F28-F32 WeakPolarHBondContact O-CA 3.07Å; F28-F32 WeakPolarHBondContact O-CB 3.39Å; F28-F32 PolarHBondContact O-N 2.92Å; F32-D34 WeakPolarHBondContact CA-OD1 3.42Å; F32-D34 PolarHBondContact O-N 3.39Å; F32-V35 HydrophobicContact CB-CB 4.46Å; F32-V35 PolarHBondContact O-N 2.95Å; F32-V35 VanDerWaalsContact O-O 3.14Å; F32-I40 HydrophobicContact CB-CD1 3.67Å; F32-I40 HydrophobicContact CD2-CD1 4.07Å; F32-I40 HydrophobicContact CG-CD1 3.92Å | ||
| 33 | S | 68 | Low | 74.5 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 78% | 0.776 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.9 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 34 | D | 71.3 | Confident | 74.6 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.2 | 178.5 | 57.2 | -33.6 | 0 | 0 | 0 | 114 | R11 F32 | R11-D34 IonicContact CZ-OD2 3.43Å; R11-D34 IonicContact NH1-OD2 3.51Å; R11-D34 PolarHBondContact NH1-OD2 3.44Å; R11-D34 IonicContact NH2-OD1 3.24Å; R11-D34 PolarHBondContact NH2-OD1 2.63Å; R11-D34 IonicContact NH2-OD2 2.64Å; R11-D34 PolarHBondContact NH2-OD2 2.95Å; F32-D34 WeakPolarHBondContact CA-OD1 3.42Å; F32-D34 PolarHBondContact O-N 3.39Å |
| 35 | V | 71.6 | Confident | 74.8 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -132.5 | 128.5 | -170.8 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | L8 F32 T39 I40 | L8-V35 HydrophobicContact CD2-CG1 4.47Å; L8-V35 HydrophobicContact CD2-CG2 3.77Å; F32-V35 HydrophobicContact CB-CB 4.46Å; F32-V35 PolarHBondContact O-N 2.95Å; F32-V35 VanDerWaalsContact O-O 3.14Å; V35-T39 HydrophobicContact CG1-CG2 4.27Å; V35-I40 HydrophobicContact CG1-CG1 4.17Å |
| 36 | S | 70.6 | Confident | 75 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | trans | -61.6 | 140 | 174.5 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | T38 T39 | S36-T38 WeakPolarHBondContact CB-OG1 3.36Å; S36-T38 PolarHBondContact O-N 2.83Å; S36-T38 PolarHBondContact OG-OG1 3.35Å; S36-T39 PolarHBondContact O-N 3.14Å; S36-T39 PolarHBondContact OG-OG1 3.44Å | ||
| 37 | L | 71.7 | Confident | 75.2 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.3 | -29.4 | 175.9 | -71.5 | 171.5 | 0 | 0 | 0 | 113.1 | Q25 F28 E29 T39 I40 L41 | Q25-L37 HydrophobicContact CG-CD1 4.23Å; Q25-L37 HydrophobicContact CG-CD2 4.27Å; Q25-L37 VanDerWaalsContact NE2-CD1 3.31Å; F28-L37 HydrophobicContact CB-CD2 4.38Å; E29-L37 HydrophobicContact CG-CD1 3.99Å; E29-L37 HydrophobicContact CG-CD2 4.06Å; E29-L37 HydrophobicContact CG-CG 4.29Å; E29-L37 WeakPolarHBondContact OE1-CD1 3.48Å; L37-T39 PolarHBondContact O-N 3.15Å; L37-I40 PolarHBondContact O-N 2.91Å; L37-I40 VanDerWaalsContact O-N 3.12Å; L37-L41 WeakPolarHBondContact O-CG 3.27Å; L37-L41 PolarHBondContact O-N 3.45Å |
| 38 | T | 73.4 | Confident | 75.2 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 64% | 0.644 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.7 | -25.2 | 175.7 | 36.7 | 0 | 0 | 0 | 0 | 113.9 | S36 P42 | S36-T38 WeakPolarHBondContact CB-OG1 3.36Å; S36-T38 PolarHBondContact O-N 2.83Å; S36-T38 PolarHBondContact OG-OG1 3.35Å; T38-P42 WeakPolarHBondContact O-CD 3.39Å; T38-P42 WeakPolarHBondContact O-CG 3.4Å |
| 39 | T | 78.1 | Confident | 75.2 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -88.9 | -29.7 | 175.6 | -47.4 | 0 | 0 | 0 | 0 | 112 | L8 V35 S36 L37 P42 | L8-T39 HydrophobicContact CD1-CG2 4.15Å; V35-T39 HydrophobicContact CG1-CG2 4.27Å; S36-T39 PolarHBondContact O-N 3.14Å; S36-T39 PolarHBondContact OG-OG1 3.44Å; L37-T39 PolarHBondContact O-N 3.15Å; T39-P42 WeakPolarHBondContact O-CD 3.33Å |
| 40 | I | 77.9 | Confident | 75.2 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -78.3 | -40.4 | -178 | -59 | 174.3 | 0 | 0 | 0 | 111.3 | F28 F32 V35 L37 I43 L44 | F28-I40 HydrophobicContact CD1-CG2 4.17Å; F32-I40 HydrophobicContact CB-CD1 3.67Å; F32-I40 HydrophobicContact CD2-CD1 4.07Å; F32-I40 HydrophobicContact CG-CD1 3.92Å; V35-I40 HydrophobicContact CG1-CG1 4.17Å; L37-I40 PolarHBondContact O-N 2.91Å; L37-I40 VanDerWaalsContact O-N 3.12Å; I40-I43 WeakPolarHBondContact O-CA 3.32Å; I40-I43 WeakPolarHBondContact O-CB 3.31Å; I40-I43 PolarHBondContact O-N 2.85Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.02Å; I40-L44 PolarHBondContact O-N 3.12Å |
| 41 | L | 78 | Confident | 74.6 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.1 | -43.8 | -178.3 | -71.9 | 171.2 | 0 | 0 | 0 | 113.6 | L37 I43 L44 N45 W65 | L37-L41 WeakPolarHBondContact O-CG 3.27Å; L37-L41 PolarHBondContact O-N 3.45Å; L41-I43 VanDerWaalsContact C-N 3.29Å; L41-I43 PolarHBondContact O-N 3.42Å; L41-L44 PolarHBondContact O-N 2.95Å; L41-N45 WeakPolarHBondContact O-CB 3.5Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3.37Å; L41-N45 PolarHBondContact O-ND2 3.4Å; L41-N45 VanDerWaalsContact O-ND2 3.17Å; L41-W65 HydrophobicContact CD2-CH2 4.41Å; L41-W65 HydrophobicContact CD2-CZ2 4.44Å |
| 42 | P | 82.1 | Confident | 74.3 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -36.5 | 172.5 | -25.9 | 34.5 | 0 | 0 | 0 | 113.7 | T38 T39 A46 | T38-P42 WeakPolarHBondContact O-CD 3.39Å; T38-P42 WeakPolarHBondContact O-CG 3.4Å; T39-P42 WeakPolarHBondContact O-CD 3.33Å; P42-A46 WeakPolarHBondContact O-CB 3.41Å; P42-A46 PolarHBondContact O-N 2.94Å |
| 43 | I | 79.1 | Confident | 74.1 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 178 | -60.4 | 173 | 0 | 0 | 0 | 110 | L8 R9 I40 L41 N45 A46 L47 | L8-I43 HydrophobicContact CB-CD1 3.85Å; R9-I43 HydrophobicContact CB-CG2 4.31Å; R9-I43 HydrophobicContact CG-CG2 4.38Å; I40-I43 WeakPolarHBondContact O-CA 3.32Å; I40-I43 WeakPolarHBondContact O-CB 3.31Å; I40-I43 PolarHBondContact O-N 2.85Å; L41-I43 VanDerWaalsContact C-N 3.29Å; L41-I43 PolarHBondContact O-N 3.42Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.19Å; I43-A46 WeakPolarHBondContact O-CB 3.46Å; I43-A46 PolarHBondContact O-N 3.47Å; I43-A46 VanDerWaalsContact O-N 3.15Å; I43-L47 HydrophobicContact CG2-CD1 4.09Å; I43-L47 HydrophobicContact CG2-CG 4.38Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 2.97Å |
| 44 | L | 77.7 | Confident | 74.1 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.8 | -69 | 173.8 | 0 | 0 | 0 | 111.3 | V12 F16 F28 I40 L41 A46 L47 Q48 L53 W65 | V12-L44 HydrophobicContact CG1-CD2 4.04Å; F16-L44 HydrophobicContact CE2-CD2 3.87Å; F16-L44 HydrophobicContact CZ-CD2 4.04Å; F28-L44 HydrophobicContact CE1-CD2 4.16Å; F28-L44 HydrophobicContact CE2-CD1 4.21Å; F28-L44 HydrophobicContact CZ-CD1 4.19Å; F28-L44 HydrophobicContact CZ-CD2 3.85Å; I40-L44 HydrophobicContact CG2-CD1 3.88Å; I40-L44 HydrophobicContact CG2-CG 4.02Å; I40-L44 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 2.95Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.87Å; L44-L47 PolarHBondContact O-N 3.16Å; L44-Q48 VanDerWaalsContact O-CB 3.27Å; L44-Q48 WeakPolarHBondContact O-CB 3.24Å; L44-Q48 PolarHBondContact O-N 2.97Å; L44-L53 HydrophobicContact CD2-CD1 3.66Å; L44-W65 HydrophobicContact CD1-CD2 4.14Å; L44-W65 HydrophobicContact CD1-CE3 4.35Å; L44-W65 HydrophobicContact CD1-CH2 4.33Å; L44-W65 HydrophobicContact CD1-CZ2 4.12Å; L44-W65 HydrophobicContact CD1-CZ3 4.44Å |
| 45 | N | 79.8 | Confident | 74.2 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 175 | -73.6 | -31 | 0 | 0 | 0 | 112.2 | L41 I43 K49 | L41-N45 WeakPolarHBondContact O-CB 3.5Å; L41-N45 VanDerWaalsContact O-CG 3.23Å; L41-N45 PolarHBondContact O-N 3.37Å; L41-N45 PolarHBondContact O-ND2 3.4Å; L41-N45 VanDerWaalsContact O-ND2 3.17Å; I43-N45 VanDerWaalsContact C-N 3.33Å; I43-N45 PolarHBondContact O-N 3.19Å; N45-K49 WeakPolarHBondContact O-CB 3.49Å; N45-K49 VanDerWaalsContact O-CG 3.28Å; N45-K49 WeakPolarHBondContact O-CG 3.32Å; N45-K49 PolarHBondContact O-N 3.16Å |
| 46 | A | 80.2 | Confident | 74.1 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.9 | -46.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P42 I43 L44 Q48 K49 E50 | P42-A46 WeakPolarHBondContact O-CB 3.41Å; P42-A46 PolarHBondContact O-N 2.94Å; I43-A46 WeakPolarHBondContact O-CB 3.46Å; I43-A46 PolarHBondContact O-N 3.47Å; I43-A46 VanDerWaalsContact O-N 3.15Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.87Å; A46-Q48 VanDerWaalsContact C-N 3.29Å; A46-Q48 PolarHBondContact O-N 3.4Å; A46-K49 WeakPolarHBondContact O-CB 3.46Å; A46-K49 PolarHBondContact O-N 3.49Å; A46-K49 VanDerWaalsContact O-N 3.14Å; A46-E50 WeakPolarHBondContact O-CG 3.39Å; A46-E50 PolarHBondContact O-N 3.45Å |
| 47 | L | 76.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 176.3 | -70.1 | 173.8 | 0 | 0 | 0 | 112.1 | R9 V12 L13 I43 L44 E50 G51 M52 L53 | R9-L47 HydrophobicContact CG-CD2 4.4Å; V12-L47 HydrophobicContact CG1-CD1 3.92Å; L13-L47 HydrophobicContact CD2-CD1 4.3Å; L13-L47 HydrophobicContact CD2-CD2 4.07Å; L13-L47 HydrophobicContact CG-CD2 4.42Å; I43-L47 HydrophobicContact CG2-CD1 4.09Å; I43-L47 HydrophobicContact CG2-CG 4.38Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 WeakPolarHBondContact O-CG 3.34Å; I43-L47 PolarHBondContact O-N 2.97Å; L44-L47 PolarHBondContact O-N 3.16Å; L47-E50 PolarHBondContact O-N 3.18Å; L47-G51 PolarHBondContact O-N 2.89Å; L47-M52 HydrophobicContact CD2-CE 3.74Å; L47-M52 PolarHBondContact O-N 3.31Å; L47-L53 HydrophobicContact CB-CD1 3.51Å; L47-L53 HydrophobicContact CB-CG 3.89Å; L47-L53 HydrophobicContact CD1-CD1 3.87Å; L47-L53 HydrophobicContact CG-CD1 4.36Å |
| 48 | Q | 75.5 | Confident | 74.1 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 172.1 | -175.8 | -173.8 | -0.4 | 0 | 0 | 111.3 | L44 A46 E50 G51 V55 | L44-Q48 VanDerWaalsContact O-CB 3.27Å; L44-Q48 WeakPolarHBondContact O-CB 3.24Å; L44-Q48 PolarHBondContact O-N 2.97Å; A46-Q48 VanDerWaalsContact C-N 3.29Å; A46-Q48 PolarHBondContact O-N 3.4Å; Q48-E50 VanDerWaalsContact C-N 3.28Å; Q48-E50 PolarHBondContact O-N 2.6Å; Q48-G51 WeakPolarHBondContact O-CA 3.47Å; Q48-G51 PolarHBondContact O-N 2.93Å; Q48-V55 HydrophobicContact CG-CG2 4.04Å |
| 49 | K | 73.3 | Confident | 73.9 | Confident | 187 Ų | 187 | 59.2 Ų | 59.2 | 81% | 0.813 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | 175.9 | -78.9 | 178.6 | -179.4 | -176.8 | 0 | 112.8 | N45 A46 G51 | N45-K49 WeakPolarHBondContact O-CB 3.49Å; N45-K49 VanDerWaalsContact O-CG 3.28Å; N45-K49 WeakPolarHBondContact O-CG 3.32Å; N45-K49 PolarHBondContact O-N 3.16Å; A46-K49 WeakPolarHBondContact O-CB 3.46Å; A46-K49 PolarHBondContact O-N 3.49Å; A46-K49 VanDerWaalsContact O-N 3.14Å; K49-G51 PolarHBondContact O-N 3.2Å |
| 50 | E | 72.3 | Confident | 73.7 | Confident | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7.9 | 172.7 | -70.5 | 175.3 | 168.6 | 0 | 0 | 113.2 | R9 A46 L47 Q48 M52 | R9-E50 IonicContact CZ-OE1 2.68Å; R9-E50 IonicContact CZ-OE2 3.26Å; R9-E50 IonicContact NH1-OE1 3.68Å; R9-E50 IonicContact NH2-OE1 3.31Å; R9-E50 PolarHBondContact NH2-OE1 3.03Å; R9-E50 IonicContact NH2-OE2 2.97Å; R9-E50 PolarHBondContact NH2-OE2 3.19Å; A46-E50 WeakPolarHBondContact O-CG 3.39Å; A46-E50 PolarHBondContact O-N 3.45Å; L47-E50 PolarHBondContact O-N 3.18Å; Q48-E50 VanDerWaalsContact C-N 3.28Å; Q48-E50 PolarHBondContact O-N 2.6Å; E50-M52 VanDerWaalsContact OE2-CE 3.24Å; E50-M52 WeakPolarHBondContact OE2-CE 3.34Å |
| 51 | G | 63.8 | Low | 73.3 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 9% | 0.093 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 18.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L47 Q48 K49 R68 | L47-G51 PolarHBondContact O-N 2.89Å; Q48-G51 WeakPolarHBondContact O-CA 3.47Å; Q48-G51 PolarHBondContact O-N 2.93Å; K49-G51 PolarHBondContact O-N 3.2Å; G51-R68 WeakPolarHBondContact O-CD 3.36Å |
| 52 | M | 66.2 | Low | 73.2 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | trans | -89.6 | -17.8 | 178.6 | -67.2 | -151.4 | -94.2 | 0 | 0 | 113.8 | L47 E50 R68 | L47-M52 HydrophobicContact CD2-CE 3.74Å; L47-M52 PolarHBondContact O-N 3.31Å; E50-M52 VanDerWaalsContact OE2-CE 3.24Å; E50-M52 WeakPolarHBondContact OE2-CE 3.34Å; M52-R68 WeakPolarHBondContact O-CB 3.2Å; M52-R68 PolarHBondContact O-N 3.43Å | ||
| 53 | L | 69.3 | Low | 72.9 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134.6 | -179.6 | -64.6 | 177 | 0 | 0 | 0 | 111.4 | F16 L44 L47 Q66 L67 | F16-L53 HydrophobicContact CD1-CD2 3.98Å; F16-L53 HydrophobicContact CD2-CD2 3.81Å; F16-L53 HydrophobicContact CE1-CD2 3.66Å; F16-L53 HydrophobicContact CE2-CD1 3.78Å; F16-L53 HydrophobicContact CE2-CD2 3.5Å; F16-L53 VanDerWaalsContact CE2-CD2 3.5Å; F16-L53 HydrophobicContact CE2-CG 4.3Å; F16-L53 HydrophobicContact CG-CD2 4.05Å; F16-L53 HydrophobicContact CZ-CD1 3.88Å; F16-L53 HydrophobicContact CZ-CD2 3.4Å; F16-L53 VanDerWaalsContact CZ-CD2 3.4Å; F16-L53 HydrophobicContact CZ-CG 4.3Å; L44-L53 HydrophobicContact CD2-CD1 3.66Å; L47-L53 HydrophobicContact CB-CD1 3.51Å; L47-L53 HydrophobicContact CB-CG 3.89Å; L47-L53 HydrophobicContact CD1-CD1 3.87Å; L47-L53 HydrophobicContact CG-CD1 4.36Å; L53-Q66 WeakPolarHBondContact CA-O 3.46Å; L53-L67 HydrophobicContact CD2-CD1 4.03Å |
| 54 | D | 67.7 | Low | 72.7 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.6 | 165.2 | -76.7 | -47.8 | 0 | 0 | 0 | 109.5 | W65 Q66 R68 | D54-W65 CarbonylContact O-C 3.5Å; D54-W65 VanDerWaalsContact O-CA 3.31Å; D54-W65 WeakPolarHBondContact O-CA 3.48Å; D54-Q66 PolarHBondContact N-O 2.87Å; D54-Q66 PolarHBondContact O-N 3.27Å; D54-R68 IonicContact OD1-CZ 2.71Å; D54-R68 VanDerWaalsContact OD1-CZ 3.31Å; D54-R68 IonicContact OD1-NE 2.6Å; D54-R68 PolarHBondContact OD1-NE 3.39Å; D54-R68 IonicContact OD1-NH2 3.43Å; D54-R68 PolarHBondContact OD1-NH2 3.3Å; D54-R68 IonicContact OD2-CZ 3.62Å; D54-R68 IonicContact OD2-NE 2.76Å; D54-R68 PolarHBondContact OD2-NE 2.92Å; D54-R68 IonicContact OD2-NH2 2.76Å |
| 55 | V | 74 | Confident | 72.7 | Confident | 49 Ų | 49 | 70.4 Ų | 70.4 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.8 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | Q48 L63 | Q48-V55 HydrophobicContact CG-CG2 4.04Å; V55-L63 HydrophobicContact CG1-CB 4.41Å; V55-L63 HydrophobicContact CG1-CD2 3.97Å |
| 56 | L | 68.3 | Low | 72.3 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.9 | 177.5 | -66.2 | 163.8 | 0 | 0 | 0 | 108.7 | A22 L63 S64 Q66 | A22-L56 HydrophobicContact CB-CD1 3.89Å; L56-L63 WeakPolarHBondContact O-CA 3.34Å; L56-S64 VanDerWaalsContact CB-OG 3.26Å; L56-S64 WeakPolarHBondContact CB-OG 3.44Å; L56-S64 PolarHBondContact N-O 3.17Å; L56-S64 PolarHBondContact O-N 3.37Å; L56-Q66 HydrophobicContact CD1-CB 4.07Å |
| 57 | V | 72.9 | Confident | 71.7 | Confident | 109 Ų | 109 | 71 Ų | 71 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.4 | 172.1 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | L63 | V57-L63 HydrophobicContact CG2-CD2 3.91Å |
| 58 | N | 70.5 | Confident | 71.2 | Confident | 48 Ų | 48 | 71.7 Ų | 71.7 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | trans | -72.3 | 162 | 178.4 | -67.4 | -22.2 | 0 | 0 | 0 | 110.9 | T24 D60 R61 T62 S64 | T24-N58 WeakPolarHBondContact CG2-ND2 3.44Å; N58-D60 WeakPolarHBondContact CB-OD1 3.49Å; N58-D60 PolarHBondContact O-N 3.38Å; N58-D60 VanDerWaalsContact O-N 3.16Å; N58-R61 WeakPolarHBondContact O-CA 3.46Å; N58-R61 PolarHBondContact O-N 3.49Å; N58-T62 WeakPolarHBondContact CB-O 3.39Å; N58-T62 PolarHBondContact N-O 2.93Å; N58-T62 PolarHBondContact ND2-OG1 2.92Å; N58-S64 PolarHBondContact OD1-OG 2.96Å | ||
| 59 | T | 70 | Confident | 70.5 | Confident | 157 Ų | 157 | 72.9 Ų | 72.9 | 96% | 0.963 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.1 | 177.6 | 49.8 | 0 | 0 | 0 | 0 | 113.4 | R61 | T59-R61 PolarHBondContact O-N 3.38Š|
| 60 | D | 73.7 | Confident | 69.6 | Low | 99 Ų | 99 | 70.4 Ų | 70.4 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 8.9 | 175.8 | 68.1 | -5.3 | 0 | 0 | 0 | 113.8 | N58 T62 | N58-D60 WeakPolarHBondContact CB-OD1 3.49Å; N58-D60 PolarHBondContact O-N 3.38Å; N58-D60 VanDerWaalsContact O-N 3.16Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 VanDerWaalsContact OD1-CB 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.21Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.43Å; D60-T62 PolarHBondContact OD1-N 3.07Å; D60-T62 PolarHBondContact OD1-OG1 3.01Å; D60-T62 WeakPolarHBondContact OD2-CG2 3.42Å; D60-T62 PolarHBondContact OD2-OG1 3.37Å; D60-T62 VanDerWaalsContact OD2-OG1 3.14Å |
| 61 | R | 69.3 | Low | 68.8 | Low | 227 Ų | 227 | 71 Ų | 71 | 86% | 0.857 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 64.1 | 10.6 | -173.3 | -52.7 | -177.1 | 177.9 | -172.9 | -0.5 | 114.7 | N58 T59 | N58-R61 WeakPolarHBondContact O-CA 3.46Å; N58-R61 PolarHBondContact O-N 3.49Å; T59-R61 PolarHBondContact O-N 3.38Å |
| 62 | T | 75.5 | Confident | 68.3 | Low | 53 Ų | 53 | 71.2 Ų | 71.2 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | trans | -79.3 | 150.2 | 170.7 | 67 | 0 | 0 | 0 | 0 | 110.5 | N58 D60 | N58-T62 WeakPolarHBondContact CB-O 3.39Å; N58-T62 PolarHBondContact N-O 2.93Å; N58-T62 PolarHBondContact ND2-OG1 2.92Å; D60-T62 PolarHBondContact O-N 3.49Å; D60-T62 VanDerWaalsContact OD1-CB 3.28Å; D60-T62 WeakPolarHBondContact OD1-CB 3.21Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.43Å; D60-T62 PolarHBondContact OD1-N 3.07Å; D60-T62 PolarHBondContact OD1-OG1 3.01Å; D60-T62 WeakPolarHBondContact OD2-CG2 3.42Å; D60-T62 PolarHBondContact OD2-OG1 3.37Å; D60-T62 VanDerWaalsContact OD2-OG1 3.14Å | ||
| 63 | L | 75.8 | Confident | 67.7 | Low | 79 Ų | 79 | 69.8 Ų | 69.8 | 41% | 0.414 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.9 | 172.2 | -60.6 | 177.5 | 0 | 0 | 0 | 109.1 | V55 L56 V57 W65 | V55-L63 HydrophobicContact CG1-CB 4.41Å; V55-L63 HydrophobicContact CG1-CD2 3.97Å; L56-L63 WeakPolarHBondContact O-CA 3.34Å; V57-L63 HydrophobicContact CG2-CD2 3.91Å; L63-W65 HydrophobicContact CB-CH2 3.96Å; L63-W65 HydrophobicContact CB-CZ2 4.16Å; L63-W65 HydrophobicContact CB-CZ3 4.27Å; L63-W65 HydrophobicContact CD1-CZ2 4.29Å |
| 64 | S | 74.9 | Confident | 67 | Low | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.9 | 164.4 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | L23 L56 N58 | L23-S64 CarbonylContact O-C 3.47Å; L23-S64 VanDerWaalsContact O-CA 3.29Å; L23-S64 WeakPolarHBondContact O-CA 3.41Å; L56-S64 VanDerWaalsContact CB-OG 3.26Å; L56-S64 WeakPolarHBondContact CB-OG 3.44Å; L56-S64 PolarHBondContact N-O 3.17Å; L56-S64 PolarHBondContact O-N 3.37Å; N58-S64 PolarHBondContact OD1-OG 2.96Å |
| 65 | W | 76.9 | Confident | 66.6 | Low | 14 Ų | 14 | 77.1 Ų | 77.1 | 5% | 0.053 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 138.9 | 176.6 | -66.9 | -94.5 | 0 | 0 | 0 | 108.4 | F16 A22 L23 F28 L41 L44 D54 L63 | F16-W65 HydrophobicContact CE1-CB 3.83Å; F16-W65 WeakPolarHBondContact CE1-O 3.4Å; F16-W65 HydrophobicContact CZ-CB 3.61Å; A22-W65 CarbonylContact C-O 3.54Å; A22-W65 WeakPolarHBondContact CA-O 3.45Å; L23-W65 PolarHBondContact N-O 3.25Å; L23-W65 PolarHBondContact O-N 3.09Å; F28-W65 HydrophobicContact CD2-CE3 4.41Å; F28-W65 HydrophobicContact CD2-CZ3 4.46Å; F28-W65 HydrophobicContact CE2-CD2 4.48Å; F28-W65 AromaticContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CE3 3.74Å; F28-W65 HydrophobicContact CE2-CZ3 4.23Å; L41-W65 HydrophobicContact CD2-CH2 4.41Å; L41-W65 HydrophobicContact CD2-CZ2 4.44Å; L44-W65 HydrophobicContact CD1-CD2 4.14Å; L44-W65 HydrophobicContact CD1-CE3 4.35Å; L44-W65 HydrophobicContact CD1-CH2 4.33Å; L44-W65 HydrophobicContact CD1-CZ2 4.12Å; L44-W65 HydrophobicContact CD1-CZ3 4.44Å; D54-W65 CarbonylContact O-C 3.5Å; D54-W65 VanDerWaalsContact O-CA 3.31Å; D54-W65 WeakPolarHBondContact O-CA 3.48Å; L63-W65 HydrophobicContact CB-CH2 3.96Å; L63-W65 HydrophobicContact CB-CZ2 4.16Å; L63-W65 HydrophobicContact CB-CZ3 4.27Å; L63-W65 HydrophobicContact CD1-CZ2 4.29Å |
| 66 | Q | 72 | Confident | 65.8 | Low | 79 Ų | 79 | 75.7 Ų | 75.7 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140 | 175.4 | -170.4 | 175.6 | 10.4 | 0 | 0 | 109.8 | A22 L53 D54 L56 R68 | A22-Q66 HydrophobicContact CB-CB 4.31Å; L53-Q66 WeakPolarHBondContact CA-O 3.46Å; D54-Q66 PolarHBondContact N-O 2.87Å; D54-Q66 PolarHBondContact O-N 3.27Å; L56-Q66 HydrophobicContact CD1-CB 4.07Å; Q66-R68 PolarHBondContact O-N 3.28Å |
| 67 | L | 67.6 | Low | 65.3 | Low | 55 Ų | 55 | 79.5 Ų | 79.5 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126.2 | 173.5 | -164.1 | 69.9 | 0 | 0 | 0 | 109.5 | L13 F16 K17 L53 | L13-L67 HydrophobicContact CD2-CD1 4.3Å; F16-L67 HydrophobicContact CB-CB 4.02Å; F16-L67 HydrophobicContact CB-CD1 4.02Å; F16-L67 HydrophobicContact CB-CD2 4.25Å; F16-L67 HydrophobicContact CB-CG 4.32Å; F16-L67 HydrophobicContact CD1-CB 4.21Å; F16-L67 HydrophobicContact CG-CB 4.35Å; F16-L67 HydrophobicContact CG-CD1 4.37Å; K17-L67 HydrophobicContact CG-CD2 4.31Å; L53-L67 HydrophobicContact CD2-CD1 4.03Å |
| 68 | R | 65.3 | Low | 64.7 | Low | 15 Ų | 15 | 77.7 Ų | 77.7 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 132.6 | 174.9 | -171.6 | 176.2 | -81.9 | -167.7 | -10.1 | 109.2 | G51 M52 D54 Q66 Q70 T73 N89 R92 | G51-R68 WeakPolarHBondContact O-CD 3.36Å; M52-R68 WeakPolarHBondContact O-CB 3.2Å; M52-R68 PolarHBondContact O-N 3.43Å; D54-R68 IonicContact OD1-CZ 2.71Å; D54-R68 VanDerWaalsContact OD1-CZ 3.31Å; D54-R68 IonicContact OD1-NE 2.6Å; D54-R68 PolarHBondContact OD1-NE 3.39Å; D54-R68 IonicContact OD1-NH2 3.43Å; D54-R68 PolarHBondContact OD1-NH2 3.3Å; D54-R68 IonicContact OD2-CZ 3.62Å; D54-R68 IonicContact OD2-NE 2.76Å; D54-R68 PolarHBondContact OD2-NE 2.92Å; D54-R68 IonicContact OD2-NH2 2.76Å; Q66-R68 PolarHBondContact O-N 3.28Å; R68-Q70 PolarHBondContact O-N 2.93Å; R68-T73 HydrophobicContact CB-CG2 4.21Å; R68-T73 HydrophobicContact CG-CG2 4.2Å; R68-N89 PolarHBondContact NH2-OD1 3.48Å; R68-R92 VanDerWaalsContact CD-NH1 3.31Å; R68-R92 VanDerWaalsContact CG-NH1 3.27Å |
| 69 | D | 61.6 | Low | 64.4 | Low | 107 Ų | 107 | 75.5 Ų | 75.5 | 57% | 0.572 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 138.1 | 179.4 | -155.3 | -6.1 | 0 | 0 | 0 | 111.6 | D71 S72 T73 | D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 3.14Å; D69-S72 WeakPolarHBondContact O-CA 3.39Å; D69-S72 WeakPolarHBondContact O-CB 3.37Å; D69-S72 PolarHBondContact O-N 3.27Å; D69-T73 PolarHBondContact O-N 3.22Å |
| 70 | Q | 54.4 | Low | 64.1 | Low | 135 Ų | 135 | 73.3 Ų | 73.3 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.3 | -37.3 | -167.8 | -72.5 | -172.8 | -12.6 | 0 | 0 | 112 | R68 S72 T73 E74 | R68-Q70 PolarHBondContact O-N 2.93Å; Q70-S72 PolarHBondContact O-N 3.12Å; Q70-T73 PolarHBondContact O-N 2.97Å; Q70-T73 PolarHBondContact O-OG1 2.98Å; Q70-E74 PolarHBondContact O-N 2.93Å |
| 71 | D | 54.4 | Low | 64.2 | Low | 100 Ų | 100 | 71.9 Ų | 71.9 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.5 | -32.8 | 174.8 | -74.8 | -22.4 | 0 | 0 | 0 | 112.7 | D69 T73 K75 | D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 3.14Å; D71-T73 VanDerWaalsContact C-N 3.32Å; D71-K75 WeakPolarHBondContact O-CB 3.4Å; D71-K75 WeakPolarHBondContact O-CD 3.42Å; D71-K75 VanDerWaalsContact O-CG 3.25Å; D71-K75 WeakPolarHBondContact O-CG 3.38Å; D71-K75 PolarHBondContact O-N 3.25Å |
| 72 | S | 54 | Low | 64.6 | Low | 13 Ų | 13 | 66.2 Ų | 66.2 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.7 | -28.3 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | D69 Q70 L76 R92 | D69-S72 WeakPolarHBondContact O-CA 3.39Å; D69-S72 WeakPolarHBondContact O-CB 3.37Å; D69-S72 PolarHBondContact O-N 3.27Å; Q70-S72 PolarHBondContact O-N 3.12Å; S72-L76 WeakPolarHBondContact O-CB 3.41Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-R92 PolarHBondContact OG-NH1 2.99Å; S72-R92 PolarHBondContact OG-NH2 3.33Å |
| 73 | T | 52.9 | Low | 64.8 | Low | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -76.4 | -36.5 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | R68 D69 Q70 D71 L76 K77 | R68-T73 HydrophobicContact CB-CG2 4.21Å; R68-T73 HydrophobicContact CG-CG2 4.2Å; D69-T73 PolarHBondContact O-N 3.22Å; Q70-T73 PolarHBondContact O-N 2.97Å; Q70-T73 PolarHBondContact O-OG1 2.98Å; D71-T73 VanDerWaalsContact C-N 3.32Å; T73-L76 PolarHBondContact O-N 2.86Å; T73-K77 WeakPolarHBondContact O-CB 3.4Å; T73-K77 WeakPolarHBondContact O-CG 3.47Å; T73-K77 PolarHBondContact O-N 3.28Å |
| 74 | E | 55.3 | Low | 65.1 | Low | 139 Ų | 139 | 63.1 Ų | 63.1 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.9 | -43.1 | 173.7 | -63.1 | -161.1 | 156.7 | 0 | 0 | 111.6 | Q70 L76 K77 S78 | Q70-E74 PolarHBondContact O-N 2.93Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; E74-K77 PolarHBondContact O-N 3.03Å; E74-K77 VanDerWaalsContact O-N 3.17Å; E74-S78 PolarHBondContact O-N 2.97Å; E74-S78 VanDerWaalsContact O-N 3.09Å |
| 75 | K | 58.9 | Low | 65.3 | Low | 56 Ų | 56 | 66.9 Ų | 66.9 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 172.9 | -77.3 | 177.5 | -168.9 | 172.8 | 0 | 112.7 | D71 S78 L79 M127 E146 | D71-K75 WeakPolarHBondContact O-CB 3.4Å; D71-K75 WeakPolarHBondContact O-CD 3.42Å; D71-K75 VanDerWaalsContact O-CG 3.25Å; D71-K75 WeakPolarHBondContact O-CG 3.38Å; D71-K75 PolarHBondContact O-N 3.25Å; K75-S78 PolarHBondContact O-OG 2.76Å; K75-L79 WeakPolarHBondContact O-CG 3.17Å; K75-M127 HydrophobicContact CB-CE 3.54Å; K75-M127 HydrophobicContact CD-CE 4.39Å; K75-M127 HydrophobicContact CG-CE 4.04Å; K75-M127 WeakPolarHBondContact O-CE 3.06Å; K75-E146 IonicContact NZ-OE1 2.55Å; K75-E146 PolarHBondContact NZ-OE1 3.05Å; K75-E146 IonicContact NZ-OE2 3.16Å; K75-E146 PolarHBondContact NZ-OE2 2.99Å; K75-E146 VanDerWaalsContact NZ-OE2 3.16Å |
| 76 | L | 57.7 | Low | 65.5 | Low | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -76.5 | -32.2 | 176.2 | -154.4 | 86.8 | 0 | 0 | 0 | 112.5 | S72 T73 E74 S78 L79 R85 Y88 | S72-L76 WeakPolarHBondContact O-CB 3.41Å; S72-L76 PolarHBondContact O-N 3.35Å; T73-L76 PolarHBondContact O-N 2.86Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-L79 PolarHBondContact O-N 3.27Å; L76-R85 HydrophobicContact CD1-CB 4.15Å; L76-R85 HydrophobicContact CD1-CG 3.9Å; L76-R85 HydrophobicContact CG-CG 3.86Å; L76-Y88 HydrophobicContact CD1-CD1 4.18Å |
| 77 | K | 58.6 | Low | 66.2 | Low | 149 Ų | 149 | 65.9 Ų | 65.9 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.6 | -28.7 | 177.4 | -77.4 | 169.4 | -178.1 | 174.8 | 0 | 112.7 | T73 E74 L79 | T73-K77 WeakPolarHBondContact O-CB 3.4Å; T73-K77 WeakPolarHBondContact O-CG 3.47Å; T73-K77 PolarHBondContact O-N 3.28Å; E74-K77 PolarHBondContact O-N 3.03Å; E74-K77 VanDerWaalsContact O-N 3.17Å; K77-L79 PolarHBondContact O-N 3.04Å |
| 78 | S | 60.5 | Low | 67 | Low | 72 Ų | 72 | 63.5 Ų | 63.5 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.7 | 175 | 70 | 0 | 0 | 0 | 0 | 113.4 | E74 K75 L76 S80 | E74-S78 PolarHBondContact O-N 2.97Å; E74-S78 VanDerWaalsContact O-N 3.09Å; K75-S78 PolarHBondContact O-OG 2.76Å; L76-S78 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact O-N 3.12Å |
| 79 | L | 63.1 | Low | 67.9 | Low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | trans | -87.9 | 95.7 | 176.3 | -61.5 | 173.6 | 0 | 0 | 0 | 110 | K75 L76 K77 D81 E84 R85 Y88 L122 K125 M127 | K75-L79 WeakPolarHBondContact O-CG 3.17Å; L76-L79 PolarHBondContact O-N 3.27Å; K77-L79 PolarHBondContact O-N 3.04Å; L79-D81 PolarHBondContact O-N 3.02Å; L79-E84 HydrophobicContact CB-CB 4.45Å; L79-E84 HydrophobicContact CD2-CB 4.23Å; L79-E84 VanDerWaalsContact CD2-OE2 3.24Å; L79-E84 WeakPolarHBondContact CD2-OE2 3.39Å; L79-R85 HydrophobicContact CB-CG 3.68Å; L79-R85 HydrophobicContact CD1-CG 4.16Å; L79-R85 PolarHBondContact O-NE 2.88Å; L79-R85 VanDerWaalsContact O-NE 3.16Å; L79-Y88 HydrophobicContact CD1-CG 4.38Å; L79-L122 HydrophobicContact CD1-CD2 4.25Å; L79-L122 HydrophobicContact CD2-CD2 3.93Å; L79-K125 HydrophobicContact CD2-CD 3.96Å; L79-M127 HydrophobicContact CD1-CE 4.09Å; L79-M127 HydrophobicContact CD1-SD 4.18Å; L79-M127 HydrophobicContact CD2-SD 3.78Å; L79-M127 HydrophobicContact CG-CE 4.39Å; L79-M127 HydrophobicContact CG-SD 4.19Å | ||
| 80 | S | 63.6 | Low | 69 | Low | 110 Ų | 110 | 59.6 Ų | 59.6 | 77% | 0.769 | 31% | 0.308 | S | S | * | . | trans | -61.5 | -37.1 | 178.3 | -28.6 | 0 | 0 | 0 | 0 | 111.6 | S78 R85 | S78-S80 PolarHBondContact O-N 3.12Å; S80-R85 PolarHBondContact O-NH2 2.96Å | ||
| 81 | D | 76.5 | Confident | 70.4 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -81.5 | 136.4 | -174 | -163.9 | -0.1 | 0 | 0 | 0 | 111.9 | L79 E83 E84 R85 | L79-D81 PolarHBondContact O-N 3.02Å; D81-E83 PolarHBondContact OD1-N 2.86Å; D81-E84 HydrophobicContact CB-CB 4.1Å; D81-E84 HydrophobicContact CB-CG 3.99Å; D81-R85 PolarHBondContact O-N 3.35Å; D81-R85 PolarHBondContact O-NE 3.26Å | ||
| 82 | L | 76.5 | Confident | 71.8 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.9 | -37.7 | 177.5 | -178.2 | 65.7 | 0 | 0 | 0 | 110.6 | R85 L86 | L82-R85 PolarHBondContact O-N 3.49Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.48Å; L82-L86 VanDerWaalsContact O-N 3.12Å |
| 83 | E | 80.2 | Confident | 73.2 | Confident | 47 Ų | 47 | 56 Ų | 56 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 179.5 | -62.7 | -170.3 | 168.6 | 0 | 0 | 110.9 | D81 R85 L86 V87 L110 R114 I118 | D81-E83 PolarHBondContact OD1-N 2.86Å; E83-R85 PolarHBondContact O-N 3.32Å; E83-L86 PolarHBondContact O-N 3.31Å; E83-V87 WeakPolarHBondContact O-CG2 3.21Å; E83-V87 PolarHBondContact O-N 2.97Å; E83-V87 VanDerWaalsContact O-N 3.07Å; E83-L110 HydrophobicContact CB-CD1 4.02Å; E83-L110 HydrophobicContact CG-CD1 4.28Å; E83-L110 HydrophobicContact CG-CD2 4.06Å; E83-R114 IonicContact OE1-NH1 3.03Å; E83-R114 PolarHBondContact OE1-NH1 3.42Å; E83-I118 HydrophobicContact CB-CD1 3.79Å |
| 84 | E | 82.1 | Confident | 74.5 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.2 | -78.1 | -175.2 | 167.5 | 0 | 0 | 112.2 | L79 D81 V87 Y88 I118 S121 K125 | L79-E84 HydrophobicContact CB-CB 4.45Å; L79-E84 HydrophobicContact CD2-CB 4.23Å; L79-E84 VanDerWaalsContact CD2-OE2 3.24Å; L79-E84 WeakPolarHBondContact CD2-OE2 3.39Å; D81-E84 HydrophobicContact CB-CB 4.1Å; D81-E84 HydrophobicContact CB-CG 3.99Å; E84-V87 PolarHBondContact O-N 3.01Å; E84-Y88 WeakPolarHBondContact O-CB 3.25Å; E84-Y88 PolarHBondContact O-N 3Å; E84-I118 HydrophobicContact CB-CG2 4.4Å; E84-I118 HydrophobicContact CG-CG2 3.88Å; E84-S121 VanDerWaalsContact OE1-CB 3.27Å; E84-S121 WeakPolarHBondContact OE1-CB 3.44Å; E84-S121 PolarHBondContact OE1-OG 3.25Å; E84-K125 IonicContact OE1-NZ 3.75Å; E84-K125 PolarHBondContact OE1-NZ 2.68Å; E84-K125 IonicContact OE2-NZ 3.64Å; E84-K125 PolarHBondContact OE2-NZ 2.84Å |
| 85 | R | 79.7 | Confident | 75.6 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 30% | 0.302 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.6 | -74.5 | -177.3 | -89.7 | 156 | -10.5 | 112.3 | L76 L79 S80 D81 L82 E83 N89 | L76-R85 HydrophobicContact CD1-CB 4.15Å; L76-R85 HydrophobicContact CD1-CG 3.9Å; L76-R85 HydrophobicContact CG-CG 3.86Å; L79-R85 HydrophobicContact CB-CG 3.68Å; L79-R85 HydrophobicContact CD1-CG 4.16Å; L79-R85 PolarHBondContact O-NE 2.88Å; L79-R85 VanDerWaalsContact O-NE 3.16Å; S80-R85 PolarHBondContact O-NH2 2.96Å; D81-R85 PolarHBondContact O-N 3.35Å; D81-R85 PolarHBondContact O-NE 3.26Å; L82-R85 PolarHBondContact O-N 3.49Å; E83-R85 PolarHBondContact O-N 3.32Å; R85-N89 WeakPolarHBondContact O-CB 3.04Å; R85-N89 PolarHBondContact O-N 3.26Å; R85-N89 PolarHBondContact O-ND2 2.97Å; R85-N89 VanDerWaalsContact O-ND2 3.16Å |
| 86 | L | 81.6 | Confident | 76.4 | Confident | 72 Ų | 72 | 53.7 Ų | 53.7 | 38% | 0.377 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 177 | -70 | 173.6 | 0 | 0 | 0 | 111.5 | L82 E83 N89 A90 T108 | L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.48Å; L82-L86 VanDerWaalsContact O-N 3.12Å; E83-L86 PolarHBondContact O-N 3.31Å; L86-N89 PolarHBondContact O-N 2.92Å; L86-A90 WeakPolarHBondContact O-CB 2.97Å; L86-A90 PolarHBondContact O-N 3.29Å; L86-T108 HydrophobicContact CB-CG2 4.03Å |
| 87 | V | 85.2 | Confident | 77 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | E83 E84 N89 A90 I91 I104 T108 L110 I118 L119 L122 | E83-V87 WeakPolarHBondContact O-CG2 3.21Å; E83-V87 PolarHBondContact O-N 2.97Å; E83-V87 VanDerWaalsContact O-N 3.07Å; E84-V87 PolarHBondContact O-N 3.01Å; V87-N89 PolarHBondContact O-N 3.45Å; V87-A90 PolarHBondContact O-N 3.41Å; V87-I91 HydrophobicContact CG1-CD1 3.93Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.43Å; V87-I104 HydrophobicContact CB-CG2 4.38Å; V87-I104 HydrophobicContact CG1-CG2 3.91Å; V87-I104 HydrophobicContact CG2-CG2 4.04Å; V87-T108 HydrophobicContact CG2-CG2 4.04Å; V87-L110 HydrophobicContact CG2-CD1 4.1Å; V87-I118 HydrophobicContact CB-CG2 3.92Å; V87-I118 HydrophobicContact CG1-CG2 4.17Å; V87-I118 HydrophobicContact CG2-CD1 4.3Å; V87-I118 HydrophobicContact CG2-CG2 3.84Å; V87-L119 HydrophobicContact CG1-CD2 3.95Å; V87-L122 HydrophobicContact CB-CD1 4.19Å; V87-L122 HydrophobicContact CG1-CD1 3.71Å |
| 88 | Y | 85.4 | Confident | 78 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.7 | -176.6 | -97.4 | 0 | 0 | 0 | 112.2 | L76 L79 E84 A90 I91 R92 M127 I128 L144 | L76-Y88 HydrophobicContact CD1-CD1 4.18Å; L79-Y88 HydrophobicContact CD1-CG 4.38Å; E84-Y88 WeakPolarHBondContact O-CB 3.25Å; E84-Y88 PolarHBondContact O-N 3Å; Y88-A90 PolarHBondContact O-N 3.37Å; Y88-I91 PolarHBondContact O-N 2.64Å; Y88-R92 WeakPolarHBondContact O-CB 3.49Å; Y88-R92 PolarHBondContact O-N 3.34Å; Y88-M127 HydrophobicContact CD2-CB 4.27Å; Y88-M127 HydrophobicContact CD2-CE 4.15Å; Y88-M127 HydrophobicContact CE2-CB 3.95Å; Y88-M127 HydrophobicContact CE2-CE 3.81Å; Y88-I128 HydrophobicContact CD2-CG2 4.3Å; Y88-L144 HydrophobicContact CD2-CD2 4.08Å; Y88-L144 HydrophobicContact CE2-CD2 3.34Å |
| 89 | N | 83.2 | Confident | 79 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 175.8 | -71.6 | -30 | 0 | 0 | 0 | 111.9 | R68 R85 L86 V87 R92 N93 | R68-N89 PolarHBondContact NH2-OD1 3.48Å; R85-N89 WeakPolarHBondContact O-CB 3.04Å; R85-N89 PolarHBondContact O-N 3.26Å; R85-N89 PolarHBondContact O-ND2 2.97Å; R85-N89 VanDerWaalsContact O-ND2 3.16Å; L86-N89 PolarHBondContact O-N 2.92Å; V87-N89 PolarHBondContact O-N 3.45Å; N89-R92 PolarHBondContact O-N 3.05Å; N89-N93 WeakPolarHBondContact O-CB 3.25Å; N89-N93 PolarHBondContact O-N 2.85Å; N89-N93 PolarHBondContact O-OD1 3.36Å |
| 90 | A | 84.5 | Confident | 80.1 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L86 V87 Y88 N93 A94 E107 T108 | L86-A90 WeakPolarHBondContact O-CB 2.97Å; L86-A90 PolarHBondContact O-N 3.29Å; V87-A90 PolarHBondContact O-N 3.41Å; Y88-A90 PolarHBondContact O-N 3.37Å; A90-N93 PolarHBondContact O-N 2.9Å; A90-A94 PolarHBondContact O-N 3.28Å; A90-E107 HydrophobicContact CB-CB 3.94Å; A90-T108 HydrophobicContact CB-CG2 3.9Å |
| 91 | I | 85.4 | Confident | 81 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.4 | -65.4 | 167.3 | 0 | 0 | 0 | 110.7 | V87 Y88 A94 A99 I104 L119 I128 L144 | V87-I91 HydrophobicContact CG1-CD1 3.93Å; V87-I91 WeakPolarHBondContact O-CG1 3.49Å; V87-I91 PolarHBondContact O-N 3.43Å; Y88-I91 PolarHBondContact O-N 2.64Å; I91-A94 WeakPolarHBondContact O-CB 3.38Å; I91-A94 PolarHBondContact O-N 2.89Å; I91-A99 HydrophobicContact CB-CB 4.41Å; I91-A99 HydrophobicContact CG1-CB 4Å; I91-I104 HydrophobicContact CD1-CD1 4.07Å; I91-I104 HydrophobicContact CG1-CD1 3.77Å; I91-I104 HydrophobicContact CG1-CG1 4.19Å; I91-L119 HydrophobicContact CD1-CD2 3.86Å; I91-I128 HydrophobicContact CD1-CD1 3.82Å; I91-I128 HydrophobicContact CD1-CG2 3.91Å; I91-I128 HydrophobicContact CG2-CG2 4.27Å; I91-L144 HydrophobicContact CG2-CD2 4.41Å; I91-L144 HydrophobicContact CG2-CG 4.34Å |
| 92 | R | 83.3 | Confident | 81.3 | Confident | 57 Ų | 57 | 50 Ų | 50 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.9 | 179 | -176.9 | -177 | 164.8 | 10.8 | 112.2 | R68 S72 Y88 N89 A94 G95 L144 | R68-R92 VanDerWaalsContact CD-NH1 3.31Å; R68-R92 VanDerWaalsContact CG-NH1 3.27Å; S72-R92 PolarHBondContact OG-NH1 2.99Å; S72-R92 PolarHBondContact OG-NH2 3.33Å; Y88-R92 WeakPolarHBondContact O-CB 3.49Å; Y88-R92 PolarHBondContact O-N 3.34Å; N89-R92 PolarHBondContact O-N 3.05Å; R92-A94 PolarHBondContact O-N 3.23Å; R92-G95 PolarHBondContact O-N 3.17Å; R92-L144 HydrophobicContact CB-CD1 4Å; R92-L144 HydrophobicContact CG-CD1 4.02Å |
| 93 | N | 82.2 | Confident | 81.6 | Confident | 114 Ų | 114 | 48.1 Ų | 48.1 | 61% | 0.61 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.2 | -27.9 | 179.7 | -71.3 | -6.5 | 0 | 0 | 0 | 112.2 | N89 A90 G95 | N89-N93 WeakPolarHBondContact O-CB 3.25Å; N89-N93 PolarHBondContact O-N 2.85Å; N89-N93 PolarHBondContact O-OD1 3.36Å; A90-N93 PolarHBondContact O-N 2.9Å; N93-G95 VanDerWaalsContact C-N 3.25Å; N93-G95 PolarHBondContact O-N 3.26Å |
| 94 | A | 81.8 | Confident | 81.8 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.9 | -19.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A90 I91 R92 E96 D97 A99 L103 | A90-A94 PolarHBondContact O-N 3.28Å; I91-A94 WeakPolarHBondContact O-CB 3.38Å; I91-A94 PolarHBondContact O-N 2.89Å; R92-A94 PolarHBondContact O-N 3.23Å; A94-E96 PolarHBondContact O-N 2.7Å; A94-D97 PolarHBondContact O-N 2.91Å; A94-A99 HydrophobicContact CB-CB 3.77Å; A94-L103 HydrophobicContact CB-CD2 4.14Å |
| 95 | G | 78.6 | Confident | 82 | Confident | 20 Ų | 20 | 46 Ų | 46 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | 56.2 | -133.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R92 N93 D97 L143 | R92-G95 PolarHBondContact O-N 3.17Å; N93-G95 VanDerWaalsContact C-N 3.25Å; N93-G95 PolarHBondContact O-N 3.26Å; G95-D97 VanDerWaalsContact C-N 3.31Å; G95-D97 PolarHBondContact O-N 2.9Å; G95-L143 WeakPolarHBondContact O-CD1 3.11Å |
| 96 | E | 73.8 | Confident | 82.2 | Confident | 123 Ų | 123 | 45.6 Ų | 45.6 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -69.7 | -22.3 | -176.5 | -62.2 | 175.6 | -178.5 | 0 | 0 | 114.1 | A94 A98 S150 | A94-E96 PolarHBondContact O-N 2.7Å; E96-A98 PolarHBondContact O-N 2.84Å; E96-S150 PolarHBondContact O-N 2.87Å |
| 97 | D | 72.1 | Confident | 82.2 | Confident | 109 Ų | 109 | 47.6 Ų | 47.6 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -78 | -5 | -177.3 | -76.7 | -28.1 | 0 | 0 | 0 | 113.4 | A94 G95 S150 | A94-D97 PolarHBondContact O-N 2.91Å; G95-D97 VanDerWaalsContact C-N 3.31Å; G95-D97 PolarHBondContact O-N 2.9Å; D97-S150 PolarHBondContact OD1-OG 2.83Å |
| 98 | A | 78.8 | Confident | 82.1 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | trans | 57.5 | 148.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E96 V141 L143 L153 | E96-A98 PolarHBondContact O-N 2.84Å; A98-V141 HydrophobicContact CB-CB 3.79Å; A98-V141 HydrophobicContact CB-CG2 3.83Å; A98-L143 HydrophobicContact CB-CB 4.21Å; A98-L143 HydrophobicContact CB-CD1 4.27Å; A98-L153 HydrophobicContact CB-CD2 3.73Å | ||
| 99 | A | 82.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I91 A94 L103 I104 Y142 | I91-A99 HydrophobicContact CB-CB 4.41Å; I91-A99 HydrophobicContact CG1-CB 4Å; A94-A99 HydrophobicContact CB-CB 3.77Å; A99-L103 HydrophobicContact CB-CD2 4.35Å; A99-I104 HydrophobicContact CB-CD1 3.95Å; A99-I104 HydrophobicContact CB-CG1 3.66Å; A99-Y142 PolarHBondContact N-O 3.1Å; A99-Y142 PolarHBondContact O-N 3.43Å |
| 100 | S | 84.3 | Confident | 81.9 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 156.3 | 168.7 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | K102 L103 I104 | S100-K102 PolarHBondContact O-N 3.27Å; S100-K102 VanDerWaalsContact O-N 3.12Å; S100-L103 PolarHBondContact O-N 2.98Å; S100-L103 PolarHBondContact OG-N 3.35Å; S100-I104 WeakPolarHBondContact O-CG1 3.43Å; S100-I104 PolarHBondContact O-N 2.89Å |
| 101 | L | 83.5 | Confident | 81.7 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.7 | -33.9 | 176.2 | -174.5 | 65.6 | 0 | 0 | 0 | 112.6 | S105 I115 L119 | L101-S105 WeakPolarHBondContact O-CB 3.5Å; L101-S105 PolarHBondContact O-N 3.24Å; L101-I115 HydrophobicContact CD1-CB 3.84Å; L101-I115 HydrophobicContact CD1-CD1 4.4Å; L101-I115 HydrophobicContact CD1-CG2 3.48Å; L101-I115 VanDerWaalsContact CD1-CG2 3.48Å; L101-L119 HydrophobicContact CD1-CD1 4.02Å |
| 102 | K | 81.7 | Confident | 81.4 | Confident | 136 Ų | 136 | 64.5 Ų | 64.5 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.3 | -46 | 176.7 | -65.9 | -178.2 | -177.3 | 177.3 | 0 | 111.5 | S100 S105 S106 | S100-K102 PolarHBondContact O-N 3.27Å; S100-K102 VanDerWaalsContact O-N 3.12Å; K102-S105 PolarHBondContact O-N 3.21Å; K102-S106 PolarHBondContact O-N 2.75Å; K102-S106 PolarHBondContact O-OG 3.23Å |
| 103 | L | 83.5 | Confident | 81.4 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.4 | -175.5 | 66.5 | 0 | 0 | 0 | 111.4 | A94 A99 S100 S105 S106 E107 | A94-L103 HydrophobicContact CB-CD2 4.14Å; A99-L103 HydrophobicContact CB-CD2 4.35Å; S100-L103 PolarHBondContact O-N 2.98Å; S100-L103 PolarHBondContact OG-N 3.35Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.75Å; L103-S106 WeakPolarHBondContact CA-OG 3.29Å; L103-S106 PolarHBondContact O-N 2.87Å; L103-S106 PolarHBondContact O-OG 3.43Å; L103-E107 HydrophobicContact CD1-CG 4.34Å; L103-E107 HydrophobicContact CG-CG 4.48Å; L103-E107 WeakPolarHBondContact O-CB 3.43Å; L103-E107 WeakPolarHBondContact O-CG 3.5Å; L103-E107 PolarHBondContact O-N 3.33Å |
| 104 | I | 85.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.7 | -61.4 | 170.6 | 0 | 0 | 0 | 110 | V87 I91 A99 S100 T108 I115 L119 Y142 | V87-I104 HydrophobicContact CB-CG2 4.38Å; V87-I104 HydrophobicContact CG1-CG2 3.91Å; V87-I104 HydrophobicContact CG2-CG2 4.04Å; I91-I104 HydrophobicContact CD1-CD1 4.07Å; I91-I104 HydrophobicContact CG1-CD1 3.77Å; I91-I104 HydrophobicContact CG1-CG1 4.19Å; A99-I104 HydrophobicContact CB-CD1 3.95Å; A99-I104 HydrophobicContact CB-CG1 3.66Å; S100-I104 WeakPolarHBondContact O-CG1 3.43Å; S100-I104 PolarHBondContact O-N 2.89Å; I104-T108 HydrophobicContact CG2-CG2 4.13Å; I104-T108 WeakPolarHBondContact O-CB 3.33Å; I104-T108 VanDerWaalsContact O-CG2 3.31Å; I104-T108 WeakPolarHBondContact O-CG2 3.39Å; I104-T108 PolarHBondContact O-N 3.28Å; I104-T108 PolarHBondContact O-OG1 3.46Å; I104-I115 HydrophobicContact CG2-CD1 4.37Å; I104-I115 HydrophobicContact CG2-CG2 3.86Å; I104-L119 HydrophobicContact CD1-CD2 4.1Å; I104-Y142 HydrophobicContact CD1-CD2 3.99Å |
| 105 | S | 84.9 | Confident | 81.5 | Confident | 21 Ų | 21 | 69 Ų | 69 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 178.6 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | L101 K102 L103 K109 L110 Q112 | L101-S105 WeakPolarHBondContact O-CB 3.5Å; L101-S105 PolarHBondContact O-N 3.24Å; K102-S105 PolarHBondContact O-N 3.21Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 2.75Å; S105-K109 WeakPolarHBondContact O-CA 3.49Å; S105-K109 PolarHBondContact O-N 2.86Å; S105-L110 PolarHBondContact OG-O 3.36Å; S105-L110 VanDerWaalsContact OG-O 3.06Å; S105-Q112 WeakPolarHBondContact OG-CG 3.39Å |
| 106 | S | 85.1 | Confident | 81.9 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | K102 L103 | K102-S106 PolarHBondContact O-N 2.75Å; K102-S106 PolarHBondContact O-OG 3.23Å; L103-S106 WeakPolarHBondContact CA-OG 3.29Å; L103-S106 PolarHBondContact O-N 2.87Å; L103-S106 PolarHBondContact O-OG 3.43Å |
| 107 | E | 82.2 | Confident | 82.5 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.7 | -44.2 | -179 | -72.9 | -60.9 | 136.2 | 0 | 0 | 112.2 | A90 L103 | A90-E107 HydrophobicContact CB-CB 3.94Å; L103-E107 HydrophobicContact CD1-CG 4.34Å; L103-E107 HydrophobicContact CG-CG 4.48Å; L103-E107 WeakPolarHBondContact O-CB 3.43Å; L103-E107 WeakPolarHBondContact O-CG 3.5Å; L103-E107 PolarHBondContact O-N 3.33Å |
| 108 | T | 82.4 | Confident | 83.1 | Confident | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -82.6 | -14.8 | -176.9 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | L86 V87 A90 I104 L110 | L86-T108 HydrophobicContact CB-CG2 4.03Å; V87-T108 HydrophobicContact CG2-CG2 4.04Å; A90-T108 HydrophobicContact CB-CG2 3.9Å; I104-T108 HydrophobicContact CG2-CG2 4.13Å; I104-T108 WeakPolarHBondContact O-CB 3.33Å; I104-T108 VanDerWaalsContact O-CG2 3.31Å; I104-T108 WeakPolarHBondContact O-CG2 3.39Å; I104-T108 PolarHBondContact O-N 3.28Å; I104-T108 PolarHBondContact O-OG1 3.46Å; T108-L110 PolarHBondContact O-N 3.02Å; T108-L110 VanDerWaalsContact O-N 3.12Å; T108-L110 PolarHBondContact OG1-N 3.37Å |
| 109 | K | 80.9 | Confident | 83.5 | Confident | 189 Ų | 189 | 69.8 Ų | 69.8 | 82% | 0.822 | 34% | 0.341 | S | S | * | . | trans | 54.4 | 22.1 | -171 | -55.8 | 179.9 | -178 | 178.1 | 0 | 113.4 | S105 | S105-K109 WeakPolarHBondContact O-CA 3.49Å; S105-K109 PolarHBondContact O-N 2.86Å | ||
| 110 | L | 82.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | trans | -87.8 | 147 | 178.1 | -67.1 | 172.8 | 0 | 0 | 0 | 111.1 | E83 V87 S105 T108 Q112 I115 I118 | E83-L110 HydrophobicContact CB-CD1 4.02Å; E83-L110 HydrophobicContact CG-CD1 4.28Å; E83-L110 HydrophobicContact CG-CD2 4.06Å; V87-L110 HydrophobicContact CG2-CD1 4.1Å; S105-L110 PolarHBondContact OG-O 3.36Å; S105-L110 VanDerWaalsContact OG-O 3.06Å; T108-L110 PolarHBondContact O-N 3.02Å; T108-L110 VanDerWaalsContact O-N 3.12Å; T108-L110 PolarHBondContact OG1-N 3.37Å; L110-Q112 PolarHBondContact O-N 3.18Å; L110-I115 HydrophobicContact CB-CD1 4.48Å; L110-I115 HydrophobicContact CB-CG1 4.21Å; L110-I118 HydrophobicContact CD1-CD1 4.19Å | ||
| 111 | P | 81.7 | Confident | 83.7 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 49% | 0.494 | 37% | 0.373 | S | S | . | . | trans | -62.3 | 134.1 | 174.2 | -18.3 | 29.7 | 0 | 0 | 0 | 111.6 | N113 R114 | P111-N113 PolarHBondContact O-N 2.99Å; P111-R114 PolarHBondContact O-N 3.22Å | ||
| 112 | Q | 78.6 | Confident | 83.9 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.3 | -178.5 | -69.9 | -174.1 | -3.2 | 0 | 0 | 114.1 | S105 L110 R114 P116 | S105-Q112 WeakPolarHBondContact OG-CG 3.39Å; L110-Q112 PolarHBondContact O-N 3.18Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 3.45Å; Q112-P116 WeakPolarHBondContact O-CD 3.48Å |
| 113 | N | 82.1 | Confident | 84.1 | Confident | 149 Ų | 149 | 70.8 Ų | 70.8 | 80% | 0.797 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.9 | 178.9 | -66.2 | -12.3 | 0 | 0 | 0 | 113.8 | P111 | P111-N113 PolarHBondContact O-N 2.99Š|
| 114 | R | 82.4 | Confident | 84.2 | Confident | 137 Ų | 137 | 71.8 Ų | 71.8 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -34.7 | -179.6 | -68.6 | -168.1 | 176.2 | -171 | -0.4 | 112.6 | E83 P111 Q112 R117 I118 | E83-R114 IonicContact OE1-NH1 3.03Å; E83-R114 PolarHBondContact OE1-NH1 3.42Å; P111-R114 PolarHBondContact O-N 3.22Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 3.45Å; R114-R117 PolarHBondContact O-N 3.05Å; R114-R117 VanDerWaalsContact O-N 3.12Å; R114-I118 PolarHBondContact O-N 2.62Å |
| 115 | I | 84.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.2 | -42.1 | -173.6 | -55 | 172.9 | 0 | 0 | 0 | 113 | L101 I104 L110 R117 I118 L119 | L101-I115 HydrophobicContact CD1-CB 3.84Å; L101-I115 HydrophobicContact CD1-CD1 4.4Å; L101-I115 HydrophobicContact CD1-CG2 3.48Å; L101-I115 VanDerWaalsContact CD1-CG2 3.48Å; I104-I115 HydrophobicContact CG2-CD1 4.37Å; I104-I115 HydrophobicContact CG2-CG2 3.86Å; L110-I115 HydrophobicContact CB-CD1 4.48Å; L110-I115 HydrophobicContact CB-CG1 4.21Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 2.91Å; I115-I118 WeakPolarHBondContact O-CB 3.41Å; I115-I118 PolarHBondContact O-N 2.98Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I115-L119 HydrophobicContact CG2-CD1 3.66Å; I115-L119 HydrophobicContact CG2-CG 3.94Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 3.06Å |
| 116 | P | 86.4 | Confident | 84.1 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 36% | 0.357 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -31.8 | 178.5 | -27.5 | 34.7 | 0 | 0 | 0 | 114.7 | Q112 K120 | Q112-P116 WeakPolarHBondContact O-CD 3.48Å; P116-K120 WeakPolarHBondContact O-CG 3.31Å; P116-K120 PolarHBondContact O-N 2.99Å |
| 117 | R | 85.9 | Confident | 83.9 | Confident | 208 Ų | 208 | 80.6 Ų | 80.6 | 79% | 0.785 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.5 | -42.7 | 176.7 | -68.1 | -175.8 | -179 | 177.5 | -0.1 | 110.9 | R114 I115 K120 S121 | R114-R117 PolarHBondContact O-N 3.05Å; R114-R117 VanDerWaalsContact O-N 3.12Å; I115-R117 VanDerWaalsContact C-N 3.28Å; I115-R117 PolarHBondContact O-N 2.91Å; R117-K120 PolarHBondContact O-N 3.2Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-S121 VanDerWaalsContact O-N 3.1Å |
| 118 | I | 85.5 | Confident | 84.1 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.5 | -61.3 | 169.1 | 0 | 0 | 0 | 110.3 | E83 E84 V87 L110 R114 I115 K120 S121 L122 | E83-I118 HydrophobicContact CB-CD1 3.79Å; E84-I118 HydrophobicContact CB-CG2 4.4Å; E84-I118 HydrophobicContact CG-CG2 3.88Å; V87-I118 HydrophobicContact CB-CG2 3.92Å; V87-I118 HydrophobicContact CG1-CG2 4.17Å; V87-I118 HydrophobicContact CG2-CD1 4.3Å; V87-I118 HydrophobicContact CG2-CG2 3.84Å; L110-I118 HydrophobicContact CD1-CD1 4.19Å; R114-I118 PolarHBondContact O-N 2.62Å; I115-I118 WeakPolarHBondContact O-CB 3.41Å; I115-I118 PolarHBondContact O-N 2.98Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I118-K120 PolarHBondContact O-N 3Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 3.49Å; I118-S121 VanDerWaalsContact O-N 3.12Å; I118-L122 HydrophobicContact CG2-CD1 4.16Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 2.81Å |
| 119 | L | 87.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 176.9 | -70.7 | 168.1 | 0 | 0 | 0 | 112 | V87 I91 L101 I104 I115 S121 L122 I123 I128 Y142 | V87-L119 HydrophobicContact CG1-CD2 3.95Å; I91-L119 HydrophobicContact CD1-CD2 3.86Å; L101-L119 HydrophobicContact CD1-CD1 4.02Å; I104-L119 HydrophobicContact CD1-CD2 4.1Å; I115-L119 HydrophobicContact CG2-CD1 3.66Å; I115-L119 HydrophobicContact CG2-CG 3.94Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.41Å; I115-L119 PolarHBondContact O-N 3.06Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.19Å; L119-L122 PolarHBondContact O-N 2.94Å; L119-I123 WeakPolarHBondContact O-CB 3.34Å; L119-I123 WeakPolarHBondContact O-CD1 3.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.86Å; L119-I128 HydrophobicContact CD2-CD1 3.61Å; L119-Y142 HydrophobicContact CB-CE1 4.38Å; L119-Y142 HydrophobicContact CD1-CD2 3.97Å; L119-Y142 HydrophobicContact CD1-CE1 4.13Å; L119-Y142 HydrophobicContact CD1-CE2 3.47Å; L119-Y142 VanDerWaalsContact CD1-CE2 3.47Å; L119-Y142 HydrophobicContact CD1-CG 4.49Å; L119-Y142 HydrophobicContact CD2-CD1 4.01Å; L119-Y142 HydrophobicContact CD2-CD2 4.02Å; L119-Y142 HydrophobicContact CD2-CE1 4.31Å; L119-Y142 HydrophobicContact CD2-CE2 4.32Å; L119-Y142 HydrophobicContact CD2-CG 3.86Å; L119-Y142 HydrophobicContact CG-CE2 4.47Å |
| 120 | K | 86.5 | Confident | 84.3 | Confident | 155 Ų | 155 | 72.2 Ų | 72.2 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 174.2 | -74.6 | 177.9 | -178 | -172.7 | 0 | 112.3 | P116 R117 I118 I123 S124 | P116-K120 WeakPolarHBondContact O-CG 3.31Å; P116-K120 PolarHBondContact O-N 2.99Å; R117-K120 PolarHBondContact O-N 3.2Å; I118-K120 PolarHBondContact O-N 3Å; K120-I123 PolarHBondContact O-N 3.26Å; K120-S124 WeakPolarHBondContact O-CB 3.46Å; K120-S124 PolarHBondContact O-N 3.19Å; K120-S124 PolarHBondContact O-OG 3.16Å |
| 121 | S | 85.6 | Confident | 84 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 22% | 0.217 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | E84 R117 I118 L119 I123 S124 K125 | E84-S121 VanDerWaalsContact OE1-CB 3.27Å; E84-S121 WeakPolarHBondContact OE1-CB 3.44Å; E84-S121 PolarHBondContact OE1-OG 3.25Å; R117-S121 PolarHBondContact O-N 3.32Å; R117-S121 VanDerWaalsContact O-N 3.1Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 3.49Å; I118-S121 VanDerWaalsContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.19Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 3.4Å; S121-S124 PolarHBondContact O-N 2.94Å; S121-S124 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-OG 3.14Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 2.58Å |
| 122 | L | 85.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 178.9 | -68.9 | 173.3 | 0 | 0 | 0 | 113.1 | L79 V87 I118 L119 K125 K126 M127 I128 | L79-L122 HydrophobicContact CD1-CD2 4.25Å; L79-L122 HydrophobicContact CD2-CD2 3.93Å; V87-L122 HydrophobicContact CB-CD1 4.19Å; V87-L122 HydrophobicContact CG1-CD1 3.71Å; I118-L122 HydrophobicContact CG2-CD1 4.16Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 2.81Å; L119-L122 PolarHBondContact O-N 2.94Å; L122-K125 PolarHBondContact O-N 3.16Å; L122-K126 PolarHBondContact O-N 3.49Å; L122-M127 HydrophobicContact CD2-SD 4.11Å; L122-M127 PolarHBondContact O-N 2.55Å; L122-I128 HydrophobicContact CB-CD1 3.54Å; L122-I128 HydrophobicContact CB-CG1 3.73Å; L122-I128 HydrophobicContact CB-CG2 4.41Å; L122-I128 HydrophobicContact CD1-CD1 4.16Å |
| 123 | I | 87.4 | Confident | 82.7 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 173.1 | -68.3 | 163.8 | 0 | 0 | 0 | 110.1 | L119 K120 S121 K125 K126 I128 Y142 | L119-I123 WeakPolarHBondContact O-CB 3.34Å; L119-I123 WeakPolarHBondContact O-CD1 3.19Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.86Å; K120-I123 PolarHBondContact O-N 3.26Å; S121-I123 VanDerWaalsContact C-N 3.34Å; S121-I123 PolarHBondContact O-N 3.4Å; I123-K125 PolarHBondContact O-N 2.99Å; I123-K126 WeakPolarHBondContact O-CA 3.39Å; I123-K126 PolarHBondContact O-N 3.42Å; I123-I128 HydrophobicContact CG1-CD1 3.98Å; I123-I128 HydrophobicContact CG1-CG1 3.65Å; I123-Y142 HydrophobicContact CD1-CD1 4.45Å; I123-Y142 HydrophobicContact CD1-CE1 4.09Å |
| 124 | S | 86 | Confident | 81.4 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 63% | 0.629 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.8 | -32.2 | 179 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | K120 S121 K126 | K120-S124 WeakPolarHBondContact O-CB 3.46Å; K120-S124 PolarHBondContact O-N 3.19Å; K120-S124 PolarHBondContact O-OG 3.16Å; S121-S124 PolarHBondContact O-N 2.94Å; S121-S124 VanDerWaalsContact O-N 3.14Å; S121-S124 PolarHBondContact O-OG 3.14Å; S124-K126 PolarHBondContact O-N 2.83Å |
| 125 | K | 84.9 | Confident | 80.1 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.9 | 173.2 | -65.6 | 176.6 | -175.2 | -179.7 | 0 | 113.6 | L79 E84 S121 L122 I123 M127 | L79-K125 HydrophobicContact CD2-CD 3.96Å; E84-K125 IonicContact OE1-NZ 3.75Å; E84-K125 PolarHBondContact OE1-NZ 2.68Å; E84-K125 IonicContact OE2-NZ 3.64Å; E84-K125 PolarHBondContact OE2-NZ 2.84Å; S121-K125 WeakPolarHBondContact O-CG 3.46Å; S121-K125 PolarHBondContact O-N 2.58Å; L122-K125 PolarHBondContact O-N 3.16Å; I123-K125 PolarHBondContact O-N 2.99Å; K125-M127 HydrophobicContact CB-CG 3.92Å; K125-M127 HydrophobicContact CB-SD 4.24Å; K125-M127 HydrophobicContact CD-SD 4.48Å; K125-M127 PolarHBondContact O-N 3.09Å |
| 126 | K | 82.1 | Confident | 78.5 | Confident | 172 Ų | 172 | 66.1 Ų | 66.1 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 28.5 | -176.7 | -58.4 | -176.5 | 178.1 | -178.2 | 0 | 114.6 | L122 I123 S124 | L122-K126 PolarHBondContact O-N 3.49Å; I123-K126 WeakPolarHBondContact O-CA 3.39Å; I123-K126 PolarHBondContact O-N 3.42Å; S124-K126 PolarHBondContact O-N 2.83Å |
| 127 | M | 80.6 | Confident | 76.9 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -88.2 | -30.5 | 179.7 | -59.8 | -173.2 | 82.7 | 0 | 0 | 112.2 | K75 L79 Y88 L122 K125 M145 | K75-M127 HydrophobicContact CB-CE 3.54Å; K75-M127 HydrophobicContact CD-CE 4.39Å; K75-M127 HydrophobicContact CG-CE 4.04Å; K75-M127 WeakPolarHBondContact O-CE 3.06Å; L79-M127 HydrophobicContact CD1-CE 4.09Å; L79-M127 HydrophobicContact CD1-SD 4.18Å; L79-M127 HydrophobicContact CD2-SD 3.78Å; L79-M127 HydrophobicContact CG-CE 4.39Å; L79-M127 HydrophobicContact CG-SD 4.19Å; Y88-M127 HydrophobicContact CD2-CB 4.27Å; Y88-M127 HydrophobicContact CD2-CE 4.15Å; Y88-M127 HydrophobicContact CE2-CB 3.95Å; Y88-M127 HydrophobicContact CE2-CE 3.81Å; L122-M127 HydrophobicContact CD2-SD 4.11Å; L122-M127 PolarHBondContact O-N 2.55Å; K125-M127 HydrophobicContact CB-CG 3.92Å; K125-M127 HydrophobicContact CB-SD 4.24Å; K125-M127 HydrophobicContact CD-SD 4.48Å; K125-M127 PolarHBondContact O-N 3.09Å; M127-M145 PolarHBondContact O-N 3.43Å; M127-M145 VanDerWaalsContact O-N 3.17Å |
| 128 | I | 87.1 | Confident | 75.5 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.3 | 179.3 | 70.1 | 176.4 | 0 | 0 | 0 | 109.7 | Y88 I91 L119 L122 I123 Y142 L143 L144 | Y88-I128 HydrophobicContact CD2-CG2 4.3Å; I91-I128 HydrophobicContact CD1-CD1 3.82Å; I91-I128 HydrophobicContact CD1-CG2 3.91Å; I91-I128 HydrophobicContact CG2-CG2 4.27Å; L119-I128 HydrophobicContact CD2-CD1 3.61Å; L122-I128 HydrophobicContact CB-CD1 3.54Å; L122-I128 HydrophobicContact CB-CG1 3.73Å; L122-I128 HydrophobicContact CB-CG2 4.41Å; L122-I128 HydrophobicContact CD1-CD1 4.16Å; I123-I128 HydrophobicContact CG1-CD1 3.98Å; I123-I128 HydrophobicContact CG1-CG1 3.65Å; I128-Y142 HydrophobicContact CD1-CD1 4.18Å; I128-L143 CarbonylContact C-O 3.57Å; I128-L143 VanDerWaalsContact CA-O 3.25Å; I128-L143 WeakPolarHBondContact CA-O 3.44Å; I128-L143 WeakPolarHBondContact CB-O 3.28Å; I128-L144 HydrophobicContact CG2-CD2 4.45Å |
| 129 | K | 83.5 | Confident | 74.6 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.7 | 171.1 | 62.2 | -175 | 176.1 | -164.8 | 0 | 110.4 | V131 Y142 L143 M145 L147 | K129-V131 HydrophobicContact CG-CG2 4.36Å; K129-Y142 WeakPolarHBondContact O-CA 3.19Å; K129-L143 HydrophobicContact CG-CB 4.21Å; K129-L143 PolarHBondContact N-O 2.83Å; K129-L143 PolarHBondContact O-N 3.43Å; K129-M145 HydrophobicContact CB-SD 4.18Å; K129-M145 HydrophobicContact CD-SD 3.94Å; K129-M145 HydrophobicContact CG-SD 4.46Å; K129-M145 PolarHBondContact NZ-O 3.29Å; K129-L147 WeakPolarHBondContact CE-O 3.34Å; K129-L147 PolarHBondContact NZ-O 3.43Å |
| 130 | E | 83.6 | Confident | 74 | Confident | 83 Ų | 83 | 78.3 Ų | 78.3 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.1 | 174.4 | -169.6 | -175 | 132.6 | 0 | 0 | 108.7 | K140 Y142 | E130-K140 HydrophobicContact CG-CB 4.01Å; E130-K140 HydrophobicContact CG-CD 4.49Å; E130-K140 HydrophobicContact CG-CG 4.3Å; E130-K140 WeakPolarHBondContact OE1-CD 3.25Å; E130-K140 WeakPolarHBondContact OE1-CE 3.45Å; E130-K140 WeakPolarHBondContact OE1-CG 3.39Å; E130-K140 IonicContact OE1-NZ 3.04Å; E130-K140 PolarHBondContact OE1-NZ 3.48Å; E130-K140 IonicContact OE2-NZ 3.39Å; E130-K140 PolarHBondContact OE2-NZ 2.99Å; E130-Y142 HydrophobicContact CB-CD1 4.4Å; E130-Y142 HydrophobicContact CB-CE1 4.21Å; E130-Y142 HydrophobicContact CG-CD1 4.4Å; E130-Y142 HydrophobicContact CG-CE1 3.91Å |
| 131 | V | 76.7 | Confident | 73.8 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.7 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | K129 V141 L143 | K129-V131 HydrophobicContact CG-CG2 4.36Å; V131-V141 HydrophobicContact CB-CG2 4.06Å; V131-V141 PolarHBondContact N-O 3.33Å; V131-V141 VanDerWaalsContact O-CG2 3.28Å; V131-V141 WeakPolarHBondContact O-CG2 2.98Å; V131-V141 PolarHBondContact O-N 3.3Å; V131-L143 HydrophobicContact CG2-CB 4.48Å |
| 132 | P | 68.6 | Low | 73.7 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.8 | 174.1 | 28.4 | -32.5 | 0 | 0 | 0 | 110.5 | ||
| 133 | M | 63.3 | Low | 73.7 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | trans | -85.2 | 133.3 | 165.5 | -67.9 | -170.2 | 79.7 | 0 | 0 | 110.2 | Q139 V141 L153 | M133-Q139 WeakPolarHBondContact CB-O 3.44Å; M133-Q139 PolarHBondContact N-O 3.13Å; M133-V141 HydrophobicContact CG-CB 4.13Å; M133-V141 HydrophobicContact CG-CG1 3.44Å; M133-V141 VanDerWaalsContact CG-CG1 3.44Å; M133-V141 HydrophobicContact CG-CG2 3.63Å; M133-V141 HydrophobicContact SD-CB 4.48Å; M133-V141 HydrophobicContact SD-CG1 3.25Å; M133-V141 WeakPolarHBondContact SD-CG1 3.26Å; M133-L153 HydrophobicContact CE-CD1 4.15Å; M133-L153 HydrophobicContact CG-CD1 3.96Å | ||
| 134 | A | 55.5 | Low | 73.5 | Confident | 44 Ų | 44 | 68.5 Ų | 68.5 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -85.8 | -14.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | G136 N156 A160 | A134-G136 PolarHBondContact O-N 2.89Å; A134-N156 HydrophobicContact CB-CB 3.94Å; A134-N156 WeakPolarHBondContact CB-O 3.46Å; A134-A160 HydrophobicContact CB-CB 3.64Å | ||
| 135 | V | 54.3 | Low | 73.2 | Confident | 85 Ų | 85 | 69 Ų | 69 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -82.6 | 110 | -176.4 | -174 | 0 | 0 | 0 | 0 | 111.6 | H137 N156 | V135-H137 VanDerWaalsContact C-N 3.31Å; V135-H137 PolarHBondContact O-N 3.12Å; V135-N156 HydrophobicContact CG2-CB 4.25Å; V135-N156 WeakPolarHBondContact CG2-ND2 3.38Å |
| 136 | G | 52 | Low | 73 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 82.8 | -34.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117 | A134 | A134-G136 PolarHBondContact O-N 2.89Š|
| 137 | H | 53.9 | Low | 72.7 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 67% | 0.671 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -157.8 | 152.3 | 174.3 | -67.5 | -69.4 | 0 | 0 | 0 | 108.8 | V135 Q139 | V135-H137 VanDerWaalsContact C-N 3.31Å; V135-H137 PolarHBondContact O-N 3.12Å; H137-Q139 HydrophobicContact CB-CG 4.14Å; H137-Q139 PolarHBondContact O-N 3.4Å |
| 138 | K | 56.5 | Low | 72.2 | Confident | 202 Ų | 202 | 72.1 Ų | 72.1 | 88% | 0.878 | 37% | 0.373 | S | S | * | . | trans | -60.4 | 60.8 | 175.5 | -65.3 | -178.9 | 177.5 | -176.9 | 0 | 112.7 | ||||
| 139 | Q | 65.9 | Low | 71.5 | Confident | 77 Ų | 77 | 74 Ų | 74 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | trans | -95.5 | 131.8 | 179.7 | -68.7 | -174.2 | 8.2 | 0 | 0 | 108.2 | M133 H137 | M133-Q139 WeakPolarHBondContact CB-O 3.44Å; M133-Q139 PolarHBondContact N-O 3.13Å; H137-Q139 HydrophobicContact CB-CG 4.14Å; H137-Q139 PolarHBondContact O-N 3.4Å | ||
| 140 | K | 74.6 | Confident | 70.9 | Confident | 110 Ų | 110 | 72.1 Ų | 72.1 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.7 | 177.3 | -62.6 | 165.3 | 168.1 | -125.1 | 0 | 107.6 | E130 | E130-K140 HydrophobicContact CG-CB 4.01Å; E130-K140 HydrophobicContact CG-CD 4.49Å; E130-K140 HydrophobicContact CG-CG 4.3Å; E130-K140 WeakPolarHBondContact OE1-CD 3.25Å; E130-K140 WeakPolarHBondContact OE1-CE 3.45Å; E130-K140 WeakPolarHBondContact OE1-CG 3.39Å; E130-K140 IonicContact OE1-NZ 3.04Å; E130-K140 PolarHBondContact OE1-NZ 3.48Å; E130-K140 IonicContact OE2-NZ 3.39Å; E130-K140 PolarHBondContact OE2-NZ 2.99Å |
| 141 | V | 81.7 | Confident | 69.9 | Low | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 152.9 | 169.1 | -72.6 | 0 | 0 | 0 | 0 | 110.1 | A98 V131 M133 L153 | A98-V141 HydrophobicContact CB-CB 3.79Å; A98-V141 HydrophobicContact CB-CG2 3.83Å; V131-V141 HydrophobicContact CB-CG2 4.06Å; V131-V141 PolarHBondContact N-O 3.33Å; V131-V141 VanDerWaalsContact O-CG2 3.28Å; V131-V141 WeakPolarHBondContact O-CG2 2.98Å; V131-V141 PolarHBondContact O-N 3.3Å; M133-V141 HydrophobicContact CG-CB 4.13Å; M133-V141 HydrophobicContact CG-CG1 3.44Å; M133-V141 VanDerWaalsContact CG-CG1 3.44Å; M133-V141 HydrophobicContact CG-CG2 3.63Å; M133-V141 HydrophobicContact SD-CB 4.48Å; M133-V141 HydrophobicContact SD-CG1 3.25Å; M133-V141 WeakPolarHBondContact SD-CG1 3.26Å; V141-L153 HydrophobicContact CG2-CD1 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.99Å |
| 142 | Y | 83.9 | Confident | 69.4 | Low | 23 Ų | 23 | 83.2 Ų | 83.2 | 9% | 0.09 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.8 | -175.7 | -58.6 | -80.9 | 0 | 0 | 0 | 109.3 | A99 I104 L119 I123 I128 K129 E130 | A99-Y142 PolarHBondContact N-O 3.1Å; A99-Y142 PolarHBondContact O-N 3.43Å; I104-Y142 HydrophobicContact CD1-CD2 3.99Å; L119-Y142 HydrophobicContact CB-CE1 4.38Å; L119-Y142 HydrophobicContact CD1-CD2 3.97Å; L119-Y142 HydrophobicContact CD1-CE1 4.13Å; L119-Y142 HydrophobicContact CD1-CE2 3.47Å; L119-Y142 VanDerWaalsContact CD1-CE2 3.47Å; L119-Y142 HydrophobicContact CD1-CG 4.49Å; L119-Y142 HydrophobicContact CD2-CD1 4.01Å; L119-Y142 HydrophobicContact CD2-CD2 4.02Å; L119-Y142 HydrophobicContact CD2-CE1 4.31Å; L119-Y142 HydrophobicContact CD2-CE2 4.32Å; L119-Y142 HydrophobicContact CD2-CG 3.86Å; L119-Y142 HydrophobicContact CG-CE2 4.47Å; I123-Y142 HydrophobicContact CD1-CD1 4.45Å; I123-Y142 HydrophobicContact CD1-CE1 4.09Å; I128-Y142 HydrophobicContact CD1-CD1 4.18Å; K129-Y142 WeakPolarHBondContact O-CA 3.19Å; E130-Y142 HydrophobicContact CB-CD1 4.4Å; E130-Y142 HydrophobicContact CB-CE1 4.21Å; E130-Y142 HydrophobicContact CG-CD1 4.4Å; E130-Y142 HydrophobicContact CG-CE1 3.91Å |
| 143 | L | 84.7 | Confident | 69.1 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152 | -179.2 | -173.6 | 60.7 | 0 | 0 | 0 | 109.4 | G95 A98 I128 K129 V131 L147 P149 | G95-L143 WeakPolarHBondContact O-CD1 3.11Å; A98-L143 HydrophobicContact CB-CB 4.21Å; A98-L143 HydrophobicContact CB-CD1 4.27Å; I128-L143 CarbonylContact C-O 3.57Å; I128-L143 VanDerWaalsContact CA-O 3.25Å; I128-L143 WeakPolarHBondContact CA-O 3.44Å; I128-L143 WeakPolarHBondContact CB-O 3.28Å; K129-L143 HydrophobicContact CG-CB 4.21Å; K129-L143 PolarHBondContact N-O 2.83Å; K129-L143 PolarHBondContact O-N 3.43Å; V131-L143 HydrophobicContact CG2-CB 4.48Å; L143-L147 HydrophobicContact CD1-CB 3.87Å; L143-L147 HydrophobicContact CD1-CD1 4.26Å; L143-L147 HydrophobicContact CD2-CB 4.25Å; L143-L147 WeakPolarHBondContact CD2-O 3.37Å; L143-L147 HydrophobicContact CG-CB 3.99Å; L143-P149 HydrophobicContact CD2-CB 4.17Å |
| 144 | L | 84.5 | Confident | 68.7 | Low | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.073 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 145.6 | 169.8 | -69.9 | 174 | 0 | 0 | 0 | 109.9 | Y88 I91 R92 I128 E146 L147 | Y88-L144 HydrophobicContact CD2-CD2 4.08Å; Y88-L144 HydrophobicContact CE2-CD2 3.34Å; I91-L144 HydrophobicContact CG2-CD2 4.41Å; I91-L144 HydrophobicContact CG2-CG 4.34Å; R92-L144 HydrophobicContact CB-CD1 4Å; R92-L144 HydrophobicContact CG-CD1 4.02Å; I128-L144 HydrophobicContact CG2-CD2 4.45Å; L144-E146 PolarHBondContact O-N 2.93Å; L144-L147 HydrophobicContact CB-CB 4.37Å; L144-L147 HydrophobicContact CB-CD1 4.04Å; L144-L147 HydrophobicContact CB-CG 4.14Å; L144-L147 HydrophobicContact CD1-CD1 3.86Å; L144-L147 HydrophobicContact CD1-CG 4.5Å; L144-L147 HydrophobicContact CG-CD1 4.34Å; L144-L147 PolarHBondContact O-N 3.36Å |
| 145 | M | 80.4 | Confident | 68.4 | Low | 99 Ų | 99 | 79 Ų | 79 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -37.3 | -176.8 | -174.2 | 44.1 | -124.5 | 0 | 0 | 111.9 | M127 K129 L147 | M127-M145 PolarHBondContact O-N 3.43Å; M127-M145 VanDerWaalsContact O-N 3.17Å; K129-M145 HydrophobicContact CB-SD 4.18Å; K129-M145 HydrophobicContact CD-SD 3.94Å; K129-M145 HydrophobicContact CG-SD 4.46Å; K129-M145 PolarHBondContact NZ-O 3.29Å; M145-L147 VanDerWaalsContact C-N 3.33Å; M145-L147 PolarHBondContact O-N 2.67Å |
| 146 | E | 78.8 | Confident | 68.3 | Low | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.8 | -178.1 | -65.9 | 169.7 | 164.3 | 0 | 0 | 114.3 | K75 L144 | K75-E146 IonicContact NZ-OE1 2.55Å; K75-E146 PolarHBondContact NZ-OE1 3.05Å; K75-E146 IonicContact NZ-OE2 3.16Å; K75-E146 PolarHBondContact NZ-OE2 2.99Å; K75-E146 VanDerWaalsContact NZ-OE2 3.16Å; L144-E146 PolarHBondContact O-N 2.93Å |
| 147 | L | 76.1 | Confident | 68.4 | Low | 52 Ų | 52 | 78.3 Ų | 78.3 | 27% | 0.272 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 141.6 | -175.8 | -68.6 | 176.7 | 0 | 0 | 0 | 111.2 | K129 L143 L144 M145 | K129-L147 WeakPolarHBondContact CE-O 3.34Å; K129-L147 PolarHBondContact NZ-O 3.43Å; L143-L147 HydrophobicContact CD1-CB 3.87Å; L143-L147 HydrophobicContact CD1-CD1 4.26Å; L143-L147 HydrophobicContact CD2-CB 4.25Å; L143-L147 WeakPolarHBondContact CD2-O 3.37Å; L143-L147 HydrophobicContact CG-CB 3.99Å; L144-L147 HydrophobicContact CB-CB 4.37Å; L144-L147 HydrophobicContact CB-CD1 4.04Å; L144-L147 HydrophobicContact CB-CG 4.14Å; L144-L147 HydrophobicContact CD1-CD1 3.86Å; L144-L147 HydrophobicContact CD1-CG 4.5Å; L144-L147 HydrophobicContact CG-CD1 4.34Å; L144-L147 PolarHBondContact O-N 3.36Å; M145-L147 VanDerWaalsContact C-N 3.33Å; M145-L147 PolarHBondContact O-N 2.67Å |
| 148 | E | 71.1 | Confident | 68.5 | Low | 161 Ų | 161 | 73.6 Ų | 73.6 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 143.8 | 168.6 | -66.7 | -174.3 | 161.5 | 0 | 0 | 109.9 | ||
| 149 | P | 72.6 | Confident | 68.3 | Low | 43 Ų | 43 | 65.6 Ų | 65.6 | 28% | 0.279 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 140.5 | 177.9 | 27.5 | -34 | 0 | 0 | 0 | 109.9 | L143 L153 A154 | L143-P149 HydrophobicContact CD2-CB 4.17Å; P149-L153 HydrophobicContact CB-CB 4.22Å; P149-L153 HydrophobicContact CB-CD2 3.74Å; P149-L153 HydrophobicContact CB-CG 4.16Å; P149-A154 HydrophobicContact CG-CB 4.4Å |
| 150 | S | 69.4 | Low | 67.6 | Low | 15 Ų | 15 | 63.2 Ų | 63.2 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 151.1 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | E96 D97 K152 L153 A154 | E96-S150 PolarHBondContact O-N 2.87Å; D97-S150 PolarHBondContact OD1-OG 2.83Å; S150-K152 PolarHBondContact O-N 2.83Å; S150-L153 CarbonylContact O-C 3.49Å; S150-L153 WeakPolarHBondContact O-CA 2.91Å; S150-L153 WeakPolarHBondContact O-CB 3.41Å; S150-L153 PolarHBondContact O-N 3.14Å; S150-A154 PolarHBondContact O-N 3.29Å |
| 151 | E | 63.6 | Low | 66.5 | Low | 172 Ų | 172 | 60 Ų | 60 | 80% | 0.804 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54 | -30.5 | 178.7 | -72 | -174.3 | 170.6 | 0 | 0 | 112.5 | L153 A154 A155 | E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.05Å; E151-A154 PolarHBondContact O-N 2.93Å; E151-A155 WeakPolarHBondContact O-CA 3.4Å; E151-A155 WeakPolarHBondContact O-CB 3.15Å; E151-A155 PolarHBondContact O-N 3.2Å |
| 152 | K | 65.1 | Low | 64.9 | Low | 166 Ų | 166 | 68.7 Ų | 68.7 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.1 | -36.6 | 175.4 | -64.4 | 178 | -176.6 | 170.6 | 0 | 112.1 | S150 N156 | S150-K152 PolarHBondContact O-N 2.83Å; K152-N156 PolarHBondContact O-ND2 3.04Å |
| 153 | L | 62.4 | Low | 63.4 | Low | 15 Ų | 15 | 72.8 Ų | 72.8 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -78.2 | -41 | 176 | -172.5 | 62.6 | 0 | 0 | 0 | 110.6 | A98 M133 V141 P149 S150 E151 | A98-L153 HydrophobicContact CB-CD2 3.73Å; M133-L153 HydrophobicContact CE-CD1 4.15Å; M133-L153 HydrophobicContact CG-CD1 3.96Å; V141-L153 HydrophobicContact CG2-CD1 4.25Å; V141-L153 HydrophobicContact CG2-CD2 3.99Å; P149-L153 HydrophobicContact CB-CB 4.22Å; P149-L153 HydrophobicContact CB-CD2 3.74Å; P149-L153 HydrophobicContact CB-CG 4.16Å; S150-L153 CarbonylContact O-C 3.49Å; S150-L153 WeakPolarHBondContact O-CA 2.91Å; S150-L153 WeakPolarHBondContact O-CB 3.41Å; S150-L153 PolarHBondContact O-N 3.14Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.05Å |
| 154 | A | 56.1 | Low | 62.1 | Low | 30 Ų | 30 | 74.2 Ų | 74.2 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -73.9 | -41.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P149 S150 E151 N156 T157 | P149-A154 HydrophobicContact CG-CB 4.4Å; S150-A154 PolarHBondContact O-N 3.29Å; E151-A154 PolarHBondContact O-N 2.93Å; A154-N156 PolarHBondContact O-N 3.39Å; A154-N156 VanDerWaalsContact O-N 3.14Å; A154-T157 WeakPolarHBondContact O-CB 3.33Å; A154-T157 PolarHBondContact O-N 3.34Å; A154-T157 PolarHBondContact O-OG1 2.85Å |
| 155 | A | 48.4 | Very low | 61.1 | Low | 52 Ų | 52 | 78.3 Ų | 78.3 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -59.9 | -28.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E151 T157 | E151-A155 WeakPolarHBondContact O-CA 3.4Å; E151-A155 WeakPolarHBondContact O-CB 3.15Å; E151-A155 PolarHBondContact O-N 3.2Å; A155-T157 PolarHBondContact O-N 3.28Å |
| 156 | N | 52.7 | Low | 60.8 | Low | 79 Ų | 79 | 77.2 Ų | 77.2 | 42% | 0.422 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -75.2 | -10.8 | 175.4 | -68.5 | -41.8 | 0 | 0 | 0 | 113.1 | A134 V135 K152 A154 | A134-N156 HydrophobicContact CB-CB 3.94Å; A134-N156 WeakPolarHBondContact CB-O 3.46Å; V135-N156 HydrophobicContact CG2-CB 4.25Å; V135-N156 WeakPolarHBondContact CG2-ND2 3.38Å; K152-N156 PolarHBondContact O-ND2 3.04Å; A154-N156 PolarHBondContact O-N 3.39Å; A154-N156 VanDerWaalsContact O-N 3.14Å |
| 157 | T | 54.2 | Low | 60.9 | Low | 53 Ų | 53 | 74.4 Ų | 74.4 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -93.1 | -16.8 | -175.7 | 66.5 | 0 | 0 | 0 | 0 | 115 | A154 A155 F159 A160 | A154-T157 WeakPolarHBondContact O-CB 3.33Å; A154-T157 PolarHBondContact O-N 3.34Å; A154-T157 PolarHBondContact O-OG1 2.85Å; A155-T157 PolarHBondContact O-N 3.28Å; T157-F159 PolarHBondContact O-N 3.16Å; T157-A160 CarbonylContact O-C 3.49Å; T157-A160 PolarHBondContact O-N 3.4Å |
| 158 | L | 55.2 | Low | 61.2 | Low | 46 Ų | 46 | 78.9 Ų | 78.9 | 24% | 0.241 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -60.9 | -32.7 | -175.3 | -82.8 | 137.4 | 0 | 0 | 0 | 113.3 | V220 S221 T223 D226 | L158-V220 HydrophobicContact CD2-CG1 4.25Å; L158-S221 WeakPolarHBondContact CD2-O 3.16Å; L158-T223 HydrophobicContact CD1-CG2 4.34Å; L158-D226 WeakPolarHBondContact CD1-OD1 3.42Å; L158-D226 WeakPolarHBondContact CD1-OD2 3.13Å |
| 159 | F | 53 | Low | 61.6 | Low | 34 Ų | 34 | 73.2 Ų | 73.2 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -87.5 | -26.1 | 172.1 | -59.3 | -69.3 | 0 | 0 | 0 | 112.4 | T157 G161 V165 D166 I170 D226 C229 V230 | T157-F159 PolarHBondContact O-N 3.16Å; F159-G161 PolarHBondContact O-N 3.14Å; F159-V165 HydrophobicContact CB-CG1 4.19Å; F159-V165 HydrophobicContact CB-CG2 4.25Å; F159-V165 CarbonylContact O-C 3.46Å; F159-V165 WeakPolarHBondContact O-CA 3.41Å; F159-D166 PolarHBondContact O-N 2.85Å; F159-I170 HydrophobicContact CB-CD1 4.48Å; F159-I170 HydrophobicContact CD1-CD1 3.69Å; F159-I170 HydrophobicContact CD1-CG1 3.62Å; F159-I170 HydrophobicContact CE1-CD1 4.33Å; F159-I170 HydrophobicContact CE1-CG1 4.03Å; F159-I170 HydrophobicContact CG-CD1 4.33Å; F159-D226 HydrophobicContact CZ-CB 4.31Å; F159-C229 HydrophobicContact CZ-CB 4.47Å; F159-V230 HydrophobicContact CE1-CG2 4.11Å; F159-V230 HydrophobicContact CZ-CG2 4.18Å |
| 160 | A | 50.7 | Low | 62.2 | Low | 28 Ų | 28 | 73.6 Ų | 73.6 | 23% | 0.231 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 90.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111 | A134 T157 G164 | A134-A160 HydrophobicContact CB-CB 3.64Å; T157-A160 CarbonylContact O-C 3.49Å; T157-A160 PolarHBondContact O-N 3.4Å; A160-G164 CarbonylContact C-O 3.53Å; A160-G164 WeakPolarHBondContact CA-O 3.43Å |
| 161 | G | 51.9 | Low | 63.1 | Low | 42 Ų | 42 | 76.1 Ų | 76.1 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | -178.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F159 S163 G164 | F159-G161 PolarHBondContact O-N 3.14Å; G161-S163 PolarHBondContact O-N 2.82Å; G161-G164 PolarHBondContact N-O 3.04Å; G161-G164 PolarHBondContact O-N 3.45Å |
| 162 | D | 49 | Very low | 64.2 | Low | 185 Ų | 185 | 71.7 Ų | 71.7 | 99% | 0.989 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -19.5 | -177.4 | -74.2 | -25.9 | 0 | 0 | 0 | 114.7 | ||
| 163 | S | 52.1 | Low | 65.4 | Low | 110 Ų | 110 | 63.8 Ų | 63.8 | 77% | 0.769 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -1.2 | -177.7 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | G161 | G161-S163 PolarHBondContact O-N 2.82Š|
| 164 | G | 57.4 | Low | 66.8 | Low | 30 Ų | 30 | 66.9 Ų | 66.9 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.7 | -161.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A160 G161 D166 | A160-G164 CarbonylContact C-O 3.53Å; A160-G164 WeakPolarHBondContact CA-O 3.43Å; G161-G164 PolarHBondContact N-O 3.04Å; G161-G164 PolarHBondContact O-N 3.45Å; G164-D166 PolarHBondContact O-N 3.1Å |
| 165 | V | 62.9 | Low | 68.6 | Low | 99 Ų | 99 | 69.5 Ų | 69.5 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 116.7 | -176 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | F159 A167 I170 | F159-V165 HydrophobicContact CB-CG1 4.19Å; F159-V165 HydrophobicContact CB-CG2 4.25Å; F159-V165 CarbonylContact O-C 3.46Å; F159-V165 WeakPolarHBondContact O-CA 3.41Å; V165-A167 PolarHBondContact O-N 3.22Å; V165-A167 VanDerWaalsContact O-N 3.1Å; V165-I170 HydrophobicContact CG1-CD1 3.22Å; V165-I170 HydrophobicContact CG1-CG1 4.48Å |
| 166 | D | 73.7 | Confident | 70.6 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | trans | -74.6 | 98.3 | 177.4 | -172 | -22.3 | 0 | 0 | 0 | 110.5 | F159 G164 E168 F169 I170 | F159-D166 PolarHBondContact O-N 2.85Å; G164-D166 PolarHBondContact O-N 3.1Å; D166-E168 VanDerWaalsContact C-N 3.31Å; D166-E168 PolarHBondContact O-N 3.21Å; D166-E168 PolarHBondContact OD1-N 2.88Å; D166-F169 HydrophobicContact CB-CB 3.81Å; D166-F169 VanDerWaalsContact CG-CB 3.47Å; D166-F169 PolarHBondContact O-N 2.64Å; D166-F169 PolarHBondContact OD1-N 2.87Å; D166-I170 WeakPolarHBondContact O-CG1 3.46Å; D166-I170 PolarHBondContact O-N 2.98Å | ||
| 167 | A | 80.4 | Confident | 72.6 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.4 | -31.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V165 S171 | V165-A167 PolarHBondContact O-N 3.22Å; V165-A167 VanDerWaalsContact O-N 3.1Å; A167-S171 WeakPolarHBondContact O-CB 3.45Å; A167-S171 PolarHBondContact O-N 3.36Å |
| 168 | E | 82.3 | Confident | 74.5 | Confident | 145 Ų | 145 | 62.6 Ų | 62.6 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.2 | -45.2 | 178.8 | -173.4 | 176 | -176.8 | 0 | 0 | 109.8 | D166 I170 S171 I172 | D166-E168 VanDerWaalsContact C-N 3.31Å; D166-E168 PolarHBondContact O-N 3.21Å; D166-E168 PolarHBondContact OD1-N 2.88Å; E168-I170 PolarHBondContact O-N 2.9Å; E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.46Å; E168-S171 VanDerWaalsContact O-N 3.15Å; E168-I172 HydrophobicContact CG-CD1 4.18Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.18Å |
| 169 | F | 81.3 | Confident | 76.3 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.4 | -47.9 | 174.1 | -179.2 | -105.6 | 0 | 0 | 0 | 112 | D166 S171 I172 L173 C218 M222 | D166-F169 HydrophobicContact CB-CB 3.81Å; D166-F169 VanDerWaalsContact CG-CB 3.47Å; D166-F169 PolarHBondContact O-N 2.64Å; D166-F169 PolarHBondContact OD1-N 2.87Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.19Å; F169-I172 PolarHBondContact O-N 2.83Å; F169-L173 HydrophobicContact CE1-CD2 4.36Å; F169-L173 WeakPolarHBondContact O-CB 3.35Å; F169-L173 PolarHBondContact O-N 3.36Å; F169-C218 HydrophobicContact CE2-CB 3.96Å; F169-C218 WeakPolarHBondContact CE2-SG 3.33Å; F169-C218 HydrophobicContact CZ-CB 4.24Å; F169-M222 HydrophobicContact CZ-SD 4.19Å |
| 170 | I | 84.5 | Confident | 78.3 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 176.7 | -69.7 | 175 | 0 | 0 | 0 | 111.1 | F159 V165 D166 E168 L173 R174 | F159-I170 HydrophobicContact CB-CD1 4.48Å; F159-I170 HydrophobicContact CD1-CD1 3.69Å; F159-I170 HydrophobicContact CD1-CG1 3.62Å; F159-I170 HydrophobicContact CE1-CD1 4.33Å; F159-I170 HydrophobicContact CE1-CG1 4.03Å; F159-I170 HydrophobicContact CG-CD1 4.33Å; V165-I170 HydrophobicContact CG1-CD1 3.22Å; V165-I170 HydrophobicContact CG1-CG1 4.48Å; D166-I170 WeakPolarHBondContact O-CG1 3.46Å; D166-I170 PolarHBondContact O-N 2.98Å; E168-I170 PolarHBondContact O-N 2.9Å; I170-L173 PolarHBondContact O-N 3.03Å; I170-R174 VanDerWaalsContact O-CB 3.25Å; I170-R174 WeakPolarHBondContact O-CB 3.42Å; I170-R174 PolarHBondContact O-N 3.45Å |
| 171 | S | 87.5 | Confident | 80.5 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | A167 E168 F169 R174 T175 | A167-S171 WeakPolarHBondContact O-CB 3.45Å; A167-S171 PolarHBondContact O-N 3.36Å; E168-S171 WeakPolarHBondContact O-CB 3.32Å; E168-S171 PolarHBondContact O-N 3.46Å; E168-S171 VanDerWaalsContact O-N 3.15Å; F169-S171 VanDerWaalsContact C-N 3.3Å; F169-S171 PolarHBondContact O-N 3.19Å; S171-R174 PolarHBondContact O-N 2.85Å; S171-T175 WeakPolarHBondContact O-CB 3.16Å; S171-T175 PolarHBondContact O-N 3.45Å; S171-T175 PolarHBondContact O-OG1 3.01Å; S171-T175 VanDerWaalsContact O-OG1 3.14Å |
| 172 | I | 88.3 | Confident | 82.5 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 176.5 | -68.6 | 165 | 0 | 0 | 0 | 110.1 | E168 F169 R174 T175 A176 I217 | E168-I172 HydrophobicContact CG-CD1 4.18Å; E168-I172 WeakPolarHBondContact O-CG1 3.46Å; E168-I172 PolarHBondContact O-N 3.18Å; F169-I172 PolarHBondContact O-N 2.83Å; I172-R174 PolarHBondContact O-N 3.2Å; I172-T175 PolarHBondContact O-N 2.94Å; I172-A176 PolarHBondContact O-N 3.12Å; I172-I217 HydrophobicContact CG2-CG2 3.67Å |
| 173 | L | 89.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | -179.8 | 179.8 | 57 | 0 | 0 | 0 | 111.9 | F169 I170 T175 A176 C177 I212 M222 V230 | F169-L173 HydrophobicContact CE1-CD2 4.36Å; F169-L173 WeakPolarHBondContact O-CB 3.35Å; F169-L173 PolarHBondContact O-N 3.36Å; I170-L173 PolarHBondContact O-N 3.03Å; L173-T175 PolarHBondContact O-N 3.23Å; L173-A176 PolarHBondContact O-N 2.98Å; L173-C177 PolarHBondContact O-N 3.45Å; L173-C177 PolarHBondContact O-SG 3.38Å; L173-C177 VanDerWaalsContact O-SG 3.33Å; L173-I212 HydrophobicContact CD1-CD1 3.69Å; L173-I212 HydrophobicContact CD1-CG1 4.43Å; L173-I212 HydrophobicContact CD1-CG2 4.31Å; L173-M222 HydrophobicContact CD1-CE 3.62Å; L173-M222 HydrophobicContact CD1-SD 3.95Å; L173-M222 HydrophobicContact CD2-CE 3.28Å; L173-M222 HydrophobicContact CD2-SD 4.28Å; L173-M222 HydrophobicContact CG-CE 4.1Å; L173-V230 HydrophobicContact CD2-CB 4.38Å; L173-V230 HydrophobicContact CD2-CG2 3.52Å; L173-V230 HydrophobicContact CG-CG1 4.31Å; L173-V230 HydrophobicContact CG-CG2 4.1Å |
| 174 | R | 92 | Very high | 86.7 | Confident | 80 Ų | 80 | 60 Ų | 60 | 30% | 0.302 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 173.1 | 165.7 | 167.2 | 166.2 | 120.6 | 3.6 | 111.5 | I170 S171 I172 A176 C177 L178 V230 L234 E239 | I170-R174 VanDerWaalsContact O-CB 3.25Å; I170-R174 WeakPolarHBondContact O-CB 3.42Å; I170-R174 PolarHBondContact O-N 3.45Å; S171-R174 PolarHBondContact O-N 2.85Å; I172-R174 PolarHBondContact O-N 3.2Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.31Å; R174-C177 PolarHBondContact O-N 3.25Å; R174-L178 HydrophobicContact CG-CD1 4.07Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 3.24Å; R174-V230 HydrophobicContact CB-CG1 4.4Å; R174-L234 HydrophobicContact CG-CD1 4.49Å; R174-L234 HydrophobicContact CG-CD2 3.54Å; R174-L234 HydrophobicContact CG-CG 4.35Å; R174-L234 VanDerWaalsContact CZ-CD2 3.48Å; R174-E239 IonicContact CZ-OE1 3.18Å; R174-E239 IonicContact NH1-OE1 2.85Å; R174-E239 PolarHBondContact NH1-OE1 3.27Å; R174-E239 IonicContact NH1-OE2 3.51Å; R174-E239 IonicContact NH2-OE1 2.62Å; R174-E239 PolarHBondContact NH2-OE1 3.45Å |
| 175 | T | 92.8 | Very high | 88.4 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.7 | -66 | 0 | 0 | 0 | 0 | 111.7 | S171 I172 L173 L178 K179 | S171-T175 WeakPolarHBondContact O-CB 3.16Å; S171-T175 PolarHBondContact O-N 3.45Å; S171-T175 PolarHBondContact O-OG1 3.01Å; S171-T175 VanDerWaalsContact O-OG1 3.14Å; I172-T175 PolarHBondContact O-N 2.94Å; L173-T175 PolarHBondContact O-N 3.23Å; T175-L178 PolarHBondContact O-N 3.08Å; T175-K179 VanDerWaalsContact O-CB 3.28Å; T175-K179 WeakPolarHBondContact O-CB 3.43Å; T175-K179 PolarHBondContact O-N 3.32Å |
| 176 | A | 92.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I172 L173 R174 K179 Y180 I217 | I172-A176 PolarHBondContact O-N 3.12Å; L173-A176 PolarHBondContact O-N 2.98Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 3.31Å; A176-K179 PolarHBondContact O-N 2.83Å; A176-Y180 PolarHBondContact O-N 2.74Å; A176-I217 HydrophobicContact CB-CD1 3.77Å |
| 177 | C | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.5 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | L173 R174 Y180 L181 L231 L234 | L173-C177 PolarHBondContact O-N 3.45Å; L173-C177 PolarHBondContact O-SG 3.38Å; L173-C177 VanDerWaalsContact O-SG 3.33Å; R174-C177 PolarHBondContact O-N 3.25Å; C177-Y180 PolarHBondContact O-N 3.48Å; C177-L181 WeakPolarHBondContact O-CG 3.32Å; C177-L181 PolarHBondContact O-N 3.01Å; C177-L181 VanDerWaalsContact O-N 3.13Å; C177-L231 HydrophobicContact CB-CD2 4.26Å; C177-L234 HydrophobicContact CB-CD1 3.94Å |
| 178 | L | 94.2 | Very high | 91.4 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 179.1 | -73.4 | 172.9 | 0 | 0 | 0 | 111.8 | R174 T175 Y180 L181 Q182 L234 E239 L240 L261 | R174-L178 HydrophobicContact CG-CD1 4.07Å; R174-L178 WeakPolarHBondContact O-CG 3.44Å; R174-L178 PolarHBondContact O-N 3.24Å; T175-L178 PolarHBondContact O-N 3.08Å; L178-Y180 PolarHBondContact O-N 3.23Å; L178-L181 PolarHBondContact O-N 3Å; L178-Q182 WeakPolarHBondContact O-CB 3.04Å; L178-Q182 VanDerWaalsContact O-CG 3.26Å; L178-Q182 WeakPolarHBondContact O-CG 3.48Å; L178-Q182 PolarHBondContact O-N 3.33Å; L178-L234 HydrophobicContact CD1-CD2 4.02Å; L178-L234 HydrophobicContact CD2-CD1 4.41Å; L178-L234 HydrophobicContact CD2-CD2 4.09Å; L178-L234 HydrophobicContact CG-CD1 4.29Å; L178-L234 HydrophobicContact CG-CD2 4.05Å; L178-E239 HydrophobicContact CD2-CB 4.04Å; L178-L240 HydrophobicContact CD2-CD2 4.17Å; L178-L261 HydrophobicContact CD2-CD2 4.06Å |
| 179 | K | 93.7 | Very high | 91.9 | Very high | 121 Ų | 121 | 53.1 Ų | 53.1 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 177.6 | -178.8 | 173.3 | -179.2 | 172.9 | 0 | 111.5 | T175 A176 L181 Q182 D183 | T175-K179 VanDerWaalsContact O-CB 3.28Å; T175-K179 WeakPolarHBondContact O-CB 3.43Å; T175-K179 PolarHBondContact O-N 3.32Å; A176-K179 PolarHBondContact O-N 2.83Å; K179-L181 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.11Å; K179-Q182 WeakPolarHBondContact O-CB 2.99Å; K179-Q182 PolarHBondContact O-N 3.15Å; K179-D183 PolarHBondContact O-N 3.34Å |
| 180 | Y | 94.8 | Very high | 92.4 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 177.5 | -174.4 | -99.8 | 0 | 0 | 0 | 112.2 | A176 C177 L178 Q182 D183 K184 V203 E207 I208 F211 | A176-Y180 PolarHBondContact O-N 2.74Å; C177-Y180 PolarHBondContact O-N 3.48Å; L178-Y180 PolarHBondContact O-N 3.23Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Y180-D183 PolarHBondContact O-N 3.4Å; Y180-K184 WeakPolarHBondContact O-CB 3.15Å; Y180-K184 PolarHBondContact O-N 3.16Å; Y180-V203 HydrophobicContact CD1-CG1 4.26Å; Y180-V203 HydrophobicContact CE1-CG1 3.64Å; Y180-V203 HydrophobicContact CE1-CG2 4.27Å; Y180-E207 HydrophobicContact CE1-CG 4.28Å; Y180-E207 WeakPolarHBondContact OH-CG 3.19Å; Y180-E207 PolarHBondContact OH-OE1 3.31Å; Y180-I208 HydrophobicContact CD1-CG1 3.95Å; Y180-I208 HydrophobicContact CE1-CG1 4.24Å; Y180-F211 HydrophobicContact CD2-CB 3.84Å; Y180-F211 AromaticContact CD2-CD1 3.49Å; Y180-F211 HydrophobicContact CD2-CD1 3.49Å; Y180-F211 VanDerWaalsContact CD2-CD1 3.49Å; Y180-F211 AromaticContact CD2-CD2 3.37Å; Y180-F211 HydrophobicContact CD2-CD2 3.37Å; Y180-F211 AromaticContact CD2-CE1 3.8Å; Y180-F211 HydrophobicContact CD2-CE1 3.8Å; Y180-F211 AromaticContact CD2-CE2 3.68Å; Y180-F211 HydrophobicContact CD2-CE2 3.68Å; Y180-F211 AromaticContact CD2-CG 3.25Å; Y180-F211 HydrophobicContact CD2-CG 3.25Å; Y180-F211 AromaticContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CE2-CB 3.75Å; Y180-F211 HydrophobicContact CE2-CD1 4.27Å; Y180-F211 AromaticContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CE2 4.16Å; Y180-F211 AromaticContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CG-CB 4.43Å; Y180-F211 AromaticContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD2 4.47Å; Y180-F211 HydrophobicContact CG-CE1 4.17Å; Y180-F211 AromaticContact CG-CG 3.99Å; Y180-F211 HydrophobicContact CG-CG 3.99Å |
| 181 | L | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 178.1 | -70 | 166.5 | 0 | 0 | 0 | 112.4 | C177 L178 K179 A185 V203 I208 L231 L240 L261 | C177-L181 WeakPolarHBondContact O-CG 3.32Å; C177-L181 PolarHBondContact O-N 3.01Å; C177-L181 VanDerWaalsContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 3Å; K179-L181 VanDerWaalsContact C-N 3.32Å; K179-L181 PolarHBondContact O-N 3.11Å; L181-A185 VanDerWaalsContact O-CB 3.32Å; L181-A185 WeakPolarHBondContact O-CB 2.87Å; L181-A185 PolarHBondContact O-N 3.06Å; L181-V203 HydrophobicContact CD2-CB 3.87Å; L181-V203 HydrophobicContact CD2-CG2 3.8Å; L181-I208 HydrophobicContact CD1-CD1 4.31Å; L181-I208 HydrophobicContact CD2-CD1 4.15Å; L181-I208 HydrophobicContact CG-CD1 4.28Å; L181-L231 HydrophobicContact CD1-CD2 4.49Å; L181-L240 HydrophobicContact CD1-CD1 3.97Å; L181-L240 HydrophobicContact CD1-CD2 3.43Å; L181-L240 VanDerWaalsContact CD1-CD2 3.43Å; L181-L240 HydrophobicContact CD1-CG 4.37Å; L181-L261 HydrophobicContact CB-CD2 4.18Å; L181-L261 HydrophobicContact CB-CG 3.98Å |
| 182 | Q | 94.7 | Very high | 93.1 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 45% | 0.453 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 171.4 | -74.6 | 172.4 | -13.9 | 0 | 0 | 111.3 | L178 K179 Y180 K184 A185 I186 L261 | L178-Q182 WeakPolarHBondContact O-CB 3.04Å; L178-Q182 VanDerWaalsContact O-CG 3.26Å; L178-Q182 WeakPolarHBondContact O-CG 3.48Å; L178-Q182 PolarHBondContact O-N 3.33Å; K179-Q182 WeakPolarHBondContact O-CB 2.99Å; K179-Q182 PolarHBondContact O-N 3.15Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Q182-K184 VanDerWaalsContact C-N 3.29Å; Q182-K184 PolarHBondContact O-N 2.98Å; Q182-A185 PolarHBondContact O-N 3.45Å; Q182-A185 VanDerWaalsContact O-N 3.12Å; Q182-I186 VanDerWaalsContact O-CG1 3.3Å; Q182-I186 WeakPolarHBondContact O-CG1 3.5Å; Q182-I186 PolarHBondContact O-N 2.95Å; Q182-L261 HydrophobicContact CB-CD1 4.17Å; Q182-L261 HydrophobicContact CG-CD1 3.57Å; Q182-L261 HydrophobicContact CG-CD2 4.45Å |
| 183 | D | 94.6 | Very high | 93.5 | Very high | 74 Ų | 74 | 58.9 Ų | 58.9 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 178.8 | -67.7 | -20.4 | 0 | 0 | 0 | 111.3 | K179 Y180 S187 | K179-D183 PolarHBondContact O-N 3.34Å; Y180-D183 PolarHBondContact O-N 3.4Å; D183-S187 WeakPolarHBondContact O-CB 3.38Å; D183-S187 PolarHBondContact O-N 3.27Å; D183-S187 PolarHBondContact O-OG 3.4Å |
| 184 | K | 94.2 | Very high | 93.6 | Very high | 58 Ų | 58 | 63.2 Ų | 63.2 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 173.2 | -164.4 | 85.6 | 172.6 | -165.3 | 0 | 112 | Y180 Q182 S187 A188 A200 V203 E207 | Y180-K184 WeakPolarHBondContact O-CB 3.15Å; Y180-K184 PolarHBondContact O-N 3.16Å; Q182-K184 VanDerWaalsContact C-N 3.29Å; Q182-K184 PolarHBondContact O-N 2.98Å; K184-S187 PolarHBondContact O-N 3.46Å; K184-A188 WeakPolarHBondContact O-CB 3.21Å; K184-A188 PolarHBondContact O-N 2.92Å; K184-A200 WeakPolarHBondContact CE-O 3.19Å; K184-V203 HydrophobicContact CB-CG2 4.13Å; K184-V203 HydrophobicContact CD-CG2 3.92Å; K184-V203 HydrophobicContact CG-CG2 3.59Å; K184-E207 IonicContact NZ-OE1 2.72Å; K184-E207 PolarHBondContact NZ-OE1 3.21Å; K184-E207 IonicContact NZ-OE2 3.89Å |
| 185 | A | 93.3 | Very high | 93.6 | Very high | 34 Ų | 34 | 65.9 Ų | 65.9 | 28% | 0.281 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L181 Q182 A188 S189 L261 | L181-A185 VanDerWaalsContact O-CB 3.32Å; L181-A185 WeakPolarHBondContact O-CB 2.87Å; L181-A185 PolarHBondContact O-N 3.06Å; Q182-A185 PolarHBondContact O-N 3.45Å; Q182-A185 VanDerWaalsContact O-N 3.12Å; A185-A188 PolarHBondContact O-N 3.45Å; A185-S189 PolarHBondContact O-N 3.06Å; A185-L261 HydrophobicContact CB-CD1 4.08Å |
| 186 | I | 94.3 | Very high | 93.6 | Very high | 100 Ų | 100 | 67.8 Ų | 67.8 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 174.2 | -67.3 | 164.8 | 0 | 0 | 0 | 109.8 | Q182 A188 S189 | Q182-I186 VanDerWaalsContact O-CG1 3.3Å; Q182-I186 WeakPolarHBondContact O-CG1 3.5Å; Q182-I186 PolarHBondContact O-N 2.95Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 2.89Å; I186-S189 VanDerWaalsContact O-CB 3.28Å; I186-S189 WeakPolarHBondContact O-CB 3.34Å; I186-S189 PolarHBondContact O-N 2.95Å; I186-S189 PolarHBondContact O-OG 3.26Å |
| 187 | S | 94.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 72.2 Ų | 72.2 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.2 | -42.1 | 178.1 | -59.3 | 0 | 0 | 0 | 0 | 112 | D183 K184 S189 | D183-S187 WeakPolarHBondContact O-CB 3.38Å; D183-S187 PolarHBondContact O-N 3.27Å; D183-S187 PolarHBondContact O-OG 3.4Å; K184-S187 PolarHBondContact O-N 3.46Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 2.96Å |
| 188 | A | 93.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 78.2 Ų | 78.2 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.4 | -26.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K184 A185 I186 H190 I191 R197 A200 | K184-A188 WeakPolarHBondContact O-CB 3.21Å; K184-A188 PolarHBondContact O-N 2.92Å; A185-A188 PolarHBondContact O-N 3.45Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 2.89Å; A188-H190 PolarHBondContact O-N 3.32Å; A188-H190 VanDerWaalsContact O-N 3.09Å; A188-I191 HydrophobicContact CB-CD1 4.47Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.84Å; A188-R197 WeakPolarHBondContact O-CG 3.32Å; A188-A200 HydrophobicContact CB-CB 3.91Å |
| 189 | S | 91.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 81.3 Ų | 81.3 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60 | -23.5 | -177 | 78.1 | 0 | 0 | 0 | 0 | 114.2 | A185 I186 S187 I191 | A185-S189 PolarHBondContact O-N 3.06Å; I186-S189 VanDerWaalsContact O-CB 3.28Å; I186-S189 WeakPolarHBondContact O-CB 3.34Å; I186-S189 PolarHBondContact O-N 2.95Å; I186-S189 PolarHBondContact O-OG 3.26Å; S187-S189 VanDerWaalsContact C-N 3.28Å; S187-S189 PolarHBondContact O-N 2.96Å; S189-I191 VanDerWaalsContact C-N 3.27Å; S189-I191 PolarHBondContact O-N 3.14Å |
| 190 | H | 92.4 | Very high | 93.4 | Very high | 157 Ų | 157 | 77.3 Ų | 77.3 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.6 | 176.5 | -64.3 | -70.4 | 0 | 0 | 0 | 113.9 | A188 | A188-H190 PolarHBondContact O-N 3.32Å; A188-H190 VanDerWaalsContact O-N 3.09Å |
| 191 | I | 93.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | trans | -75.7 | 125.7 | 178.4 | -61.2 | 168.2 | 0 | 0 | 0 | 109.2 | A188 S189 E196 R197 A200 | A188-I191 HydrophobicContact CB-CD1 4.47Å; A188-I191 WeakPolarHBondContact O-CB 3.45Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.84Å; S189-I191 VanDerWaalsContact C-N 3.27Å; S189-I191 PolarHBondContact O-N 3.14Å; I191-E196 HydrophobicContact CG2-CB 3.71Å; I191-R197 HydrophobicContact CB-CB 4.11Å; I191-R197 HydrophobicContact CG2-CB 4.31Å; I191-R197 PolarHBondContact O-NE 2.9Å; I191-R197 PolarHBondContact O-NH2 3.18Å; I191-A200 HydrophobicContact CD1-CB 3.38Å | ||
| 192 | A | 93.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 76.9 Ų | 76.9 | 74% | 0.744 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -67 | -45.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R197 | A192-R197 PolarHBondContact O-NH2 3.18Š|
| 193 | D | 95.1 | Very high | 93.3 | Very high | 65 Ų | 65 | 72.3 Ų | 72.3 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -72.9 | 126.6 | -178 | 179.3 | 66 | 0 | 0 | 0 | 112.1 | L195 E196 R197 | D193-L195 VanDerWaalsContact C-N 3.35Å; D193-L195 PolarHBondContact O-N 3.05Å; D193-L195 WeakPolarHBondContact OD2-CA 3.4Å; D193-L195 VanDerWaalsContact OD2-CB 3.31Å; D193-L195 WeakPolarHBondContact OD2-CB 3.4Å; D193-L195 PolarHBondContact OD2-N 3.28Å; D193-E196 HydrophobicContact CB-CB 4.11Å; D193-E196 HydrophobicContact CB-CG 4.18Å; D193-E196 WeakPolarHBondContact OD2-CG 3.27Å; D193-E196 PolarHBondContact OD2-N 3.49Å; D193-R197 WeakPolarHBondContact O-CB 3.27Å; D193-R197 PolarHBondContact O-N 3.4Å |
| 194 | P | 92.4 | Very high | 93.3 | Very high | 92 Ų | 92 | 70.2 Ų | 70.2 | 60% | 0.597 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.9 | -32.4 | -178 | -25.2 | 35.1 | 0 | 0 | 0 | 115 | R198 | P194-R198 WeakPolarHBondContact O-CB 3.49Å; P194-R198 PolarHBondContact O-N 3.3Å |
| 195 | L | 92.1 | Very high | 93.3 | Very high | 136 Ų | 136 | 67.7 Ų | 67.7 | 71% | 0.712 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.3 | -47.3 | -180 | -87 | 152.4 | 0 | 0 | 0 | 110.3 | D193 R198 Q199 | D193-L195 VanDerWaalsContact C-N 3.35Å; D193-L195 PolarHBondContact O-N 3.05Å; D193-L195 WeakPolarHBondContact OD2-CA 3.4Å; D193-L195 VanDerWaalsContact OD2-CB 3.31Å; D193-L195 WeakPolarHBondContact OD2-CB 3.4Å; D193-L195 PolarHBondContact OD2-N 3.28Å; L195-R198 PolarHBondContact O-N 3.3Å; L195-Q199 PolarHBondContact O-N 3.24Å |
| 196 | E | 92.5 | Very high | 93.2 | Very high | 125 Ų | 125 | 70.9 Ų | 70.9 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 174.4 | -68.8 | -177.3 | 172.7 | 0 | 0 | 111.7 | I191 D193 R198 Q199 A200 | I191-E196 HydrophobicContact CG2-CB 3.71Å; D193-E196 HydrophobicContact CB-CB 4.11Å; D193-E196 HydrophobicContact CB-CG 4.18Å; D193-E196 WeakPolarHBondContact OD2-CG 3.27Å; D193-E196 PolarHBondContact OD2-N 3.49Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.66Å; E196-Q199 PolarHBondContact O-N 3.44Å; E196-A200 WeakPolarHBondContact O-CB 3.45Å; E196-A200 PolarHBondContact O-N 3.45Å |
| 197 | R | 93.7 | Very high | 93.2 | Very high | 104 Ų | 104 | 68.7 Ų | 68.7 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55 | -47.4 | 173.9 | 178.7 | -178.4 | -51.7 | 166.2 | 8.8 | 111.4 | A188 I191 A192 D193 A200 S201 | A188-R197 WeakPolarHBondContact O-CG 3.32Å; I191-R197 HydrophobicContact CB-CB 4.11Å; I191-R197 HydrophobicContact CG2-CB 4.31Å; I191-R197 PolarHBondContact O-NE 2.9Å; I191-R197 PolarHBondContact O-NH2 3.18Å; A192-R197 PolarHBondContact O-NH2 3.18Å; D193-R197 WeakPolarHBondContact O-CB 3.27Å; D193-R197 PolarHBondContact O-N 3.4Å; R197-A200 PolarHBondContact O-N 3.34Å; R197-S201 PolarHBondContact O-N 3.5Å |
| 198 | R | 91.7 | Very high | 93.2 | Very high | 126 Ų | 126 | 64.8 Ų | 64.8 | 48% | 0.475 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 178 | -176.7 | -179.5 | 177.9 | -168.5 | 1.3 | 110.9 | P194 L195 E196 A200 S201 Y202 | P194-R198 WeakPolarHBondContact O-CB 3.49Å; P194-R198 PolarHBondContact O-N 3.3Å; L195-R198 PolarHBondContact O-N 3.3Å; E196-R198 VanDerWaalsContact C-N 3.31Å; E196-R198 PolarHBondContact O-N 2.66Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 2.82Å; R198-S201 PolarHBondContact O-N 3.48Å; R198-S201 PolarHBondContact O-OG 3.47Å; R198-Y202 HydrophobicContact CG-CE2 4.08Å; R198-Y202 VanDerWaalsContact O-CD2 3.28Å; R198-Y202 WeakPolarHBondContact O-CD2 3.44Å |
| 199 | Q | 91.9 | Very high | 93.1 | Very high | 93 Ų | 93 | 66.3 Ų | 66.3 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 179.7 | -173.6 | 64.5 | 23.9 | 0 | 0 | 111.9 | L195 E196 S201 Y202 | L195-Q199 PolarHBondContact O-N 3.24Å; E196-Q199 PolarHBondContact O-N 3.44Å; Q199-S201 PolarHBondContact O-N 3.34Å; Q199-Y202 PolarHBondContact O-N 2.84Å |
| 200 | A | 93.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -20.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | K184 A188 I191 E196 R197 R198 Y202 | K184-A200 WeakPolarHBondContact CE-O 3.19Å; A188-A200 HydrophobicContact CB-CB 3.91Å; I191-A200 HydrophobicContact CD1-CB 3.38Å; E196-A200 WeakPolarHBondContact O-CB 3.45Å; E196-A200 PolarHBondContact O-N 3.45Å; R197-A200 PolarHBondContact O-N 3.34Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 2.82Å; A200-Y202 VanDerWaalsContact C-N 3.32Å |
| 201 | S | 93.6 | Very high | 93.1 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 114.2 | R197 R198 Q199 | R197-S201 PolarHBondContact O-N 3.5Å; R198-S201 PolarHBondContact O-N 3.48Å; R198-S201 PolarHBondContact O-OG 3.47Å; Q199-S201 PolarHBondContact O-N 3.34Å |
| 202 | Y | 94.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | trans | -82.7 | 143.9 | 177.7 | -79.3 | -76.2 | 0 | 0 | 0 | 111.6 | R198 Q199 A200 R243 L258 Y259 R260 | R198-Y202 HydrophobicContact CG-CE2 4.08Å; R198-Y202 VanDerWaalsContact O-CD2 3.28Å; R198-Y202 WeakPolarHBondContact O-CD2 3.44Å; Q199-Y202 PolarHBondContact O-N 2.84Å; A200-Y202 VanDerWaalsContact C-N 3.32Å; Y202-R243 HydrophobicContact CD1-CB 4.13Å; Y202-R243 HydrophobicContact CE1-CB 3.57Å; Y202-L258 HydrophobicContact CD1-CB 3.84Å; Y202-L258 HydrophobicContact CG-CB 4.25Å; Y202-Y259 CarbonylContact C-O 3.49Å; Y202-Y259 WeakPolarHBondContact CA-O 3.46Å; Y202-R260 HydrophobicContact CD1-CB 3.84Å; Y202-R260 HydrophobicContact CD1-CG 3.99Å; Y202-R260 HydrophobicContact CE1-CB 3.96Å; Y202-R260 HydrophobicContact CE1-CG 3.55Å; Y202-R260 HydrophobicContact CG-CB 4.3Å; Y202-R260 VanDerWaalsContact CZ-CD 3.45Å; Y202-R260 PolarHBondContact OH-NE 3.23Å | ||
| 203 | V | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.2 | -175.5 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | Y180 L181 K184 E207 I208 L258 Y259 | Y180-V203 HydrophobicContact CD1-CG1 4.26Å; Y180-V203 HydrophobicContact CE1-CG1 3.64Å; Y180-V203 HydrophobicContact CE1-CG2 4.27Å; L181-V203 HydrophobicContact CD2-CB 3.87Å; L181-V203 HydrophobicContact CD2-CG2 3.8Å; K184-V203 HydrophobicContact CB-CG2 4.13Å; K184-V203 HydrophobicContact CD-CG2 3.92Å; K184-V203 HydrophobicContact CG-CG2 3.59Å; V203-E207 HydrophobicContact CG1-CB 3.82Å; V203-E207 HydrophobicContact CG1-CG 3.95Å; V203-I208 HydrophobicContact CG1-CD1 3.99Å; V203-I208 HydrophobicContact CG1-CG1 3.51Å; V203-L258 CarbonylContact O-C 3.57Å; V203-L258 WeakPolarHBondContact O-CA 3.26Å; V203-Y259 PolarHBondContact N-O 2.95Å; V203-Y259 PolarHBondContact O-N 3.15Å |
| 204 | S | 94.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 161.1 | 174.8 | 91.2 | 0 | 0 | 0 | 0 | 112.6 | E206 E207 I208 | S204-E206 VanDerWaalsContact C-N 3.25Å; S204-E206 WeakPolarHBondContact CB-OE2 3.08Å; S204-E206 PolarHBondContact O-N 3.5Å; S204-E206 PolarHBondContact OG-N 3.38Å; S204-E206 PolarHBondContact OG-OE2 3.15Å; S204-E207 PolarHBondContact O-N 3.14Å; S204-E207 PolarHBondContact OG-N 3.36Å; S204-I208 PolarHBondContact O-N 2.97Å |
| 205 | C | 93.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 176.8 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | E207 I208 H209 V224 L231 Y259 | C205-E207 PolarHBondContact O-N 2.8Å; C205-I208 PolarHBondContact O-N 3.27Å; C205-H209 WeakPolarHBondContact O-CB 3.45Å; C205-H209 PolarHBondContact O-N 2.89Å; C205-V224 HydrophobicContact CB-CG1 4.41Å; C205-L231 HydrophobicContact CB-CD1 4.3Å; C205-Y259 HydrophobicContact CB-CE2 4.24Å |
| 206 | E | 92.7 | Very high | 91.5 | Very high | 101 Ų | 101 | 66 Ų | 66 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 179.8 | -57.4 | 72.6 | -157.3 | 0 | 0 | 111.8 | S204 R210 | S204-E206 VanDerWaalsContact C-N 3.25Å; S204-E206 WeakPolarHBondContact CB-OE2 3.08Å; S204-E206 PolarHBondContact O-N 3.5Å; S204-E206 PolarHBondContact OG-N 3.38Å; S204-E206 PolarHBondContact OG-OE2 3.15Å; E206-R210 VanDerWaalsContact O-CB 3.29Å; E206-R210 WeakPolarHBondContact O-CB 3.5Å; E206-R210 PolarHBondContact O-N 2.96Å |
| 207 | E | 93.7 | Very high | 90.7 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176.3 | -173.8 | 177.2 | 177.5 | 0 | 0 | 110.9 | Y180 K184 V203 S204 C205 R210 F211 | Y180-E207 HydrophobicContact CE1-CG 4.28Å; Y180-E207 WeakPolarHBondContact OH-CG 3.19Å; Y180-E207 PolarHBondContact OH-OE1 3.31Å; K184-E207 IonicContact NZ-OE1 2.72Å; K184-E207 PolarHBondContact NZ-OE1 3.21Å; K184-E207 IonicContact NZ-OE2 3.89Å; V203-E207 HydrophobicContact CG1-CB 3.82Å; V203-E207 HydrophobicContact CG1-CG 3.95Å; S204-E207 PolarHBondContact O-N 3.14Å; S204-E207 PolarHBondContact OG-N 3.36Å; C205-E207 PolarHBondContact O-N 2.8Å; E207-R210 PolarHBondContact O-N 3.06Å; E207-F211 PolarHBondContact O-N 3.48Å |
| 208 | I | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 176.3 | -60 | 176.1 | 0 | 0 | 0 | 110.8 | Y180 L181 V203 S204 C205 R210 F211 I212 V227 L231 | Y180-I208 HydrophobicContact CD1-CG1 3.95Å; Y180-I208 HydrophobicContact CE1-CG1 4.24Å; L181-I208 HydrophobicContact CD1-CD1 4.31Å; L181-I208 HydrophobicContact CD2-CD1 4.15Å; L181-I208 HydrophobicContact CG-CD1 4.28Å; V203-I208 HydrophobicContact CG1-CD1 3.99Å; V203-I208 HydrophobicContact CG1-CG1 3.51Å; S204-I208 PolarHBondContact O-N 2.97Å; C205-I208 PolarHBondContact O-N 3.27Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 3.39Å; I208-F211 WeakPolarHBondContact O-CB 3.41Å; I208-F211 PolarHBondContact O-N 2.8Å; I208-F211 VanDerWaalsContact O-N 3.15Å; I208-I212 HydrophobicContact CG2-CD1 3.76Å; I208-I212 HydrophobicContact CG2-CG1 4.44Å; I208-I212 WeakPolarHBondContact O-CG1 3.25Å; I208-I212 PolarHBondContact O-N 3.31Å; I208-V227 HydrophobicContact CB-CG1 4.31Å; I208-V227 HydrophobicContact CG2-CG1 3.87Å; I208-L231 HydrophobicContact CD1-CD1 3.87Å; I208-L231 HydrophobicContact CD1-CD2 3.77Å; I208-L231 HydrophobicContact CD1-CG 4.48Å |
| 209 | H | 92 | Very high | 88.6 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 17% | 0.167 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.6 | 174.6 | -93.6 | 0 | 0 | 0 | 111.9 | C205 F211 I212 T213 M222 T223 V224 V227 | C205-H209 WeakPolarHBondContact O-CB 3.45Å; C205-H209 PolarHBondContact O-N 2.89Å; H209-F211 PolarHBondContact O-N 3.26Å; H209-I212 PolarHBondContact O-N 3.14Å; H209-T213 WeakPolarHBondContact O-CB 3.49Å; H209-T213 PolarHBondContact O-N 3.28Å; H209-T213 PolarHBondContact O-OG1 3.15Å; H209-M222 PolarHBondContact NE2-O 3.24Å; H209-T223 PolarHBondContact CD2-O 3.47Å; H209-V224 HydrophobicContact CB-CG2 4.42Å; H209-V227 HydrophobicContact CB-CG2 4.16Å |
| 210 | R | 92.7 | Very high | 87.6 | Confident | 154 Ų | 154 | 60.1 Ų | 60.1 | 58% | 0.581 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 175 | -169.8 | -175.9 | -59.3 | 149.1 | 4.1 | 111.8 | E206 E207 I208 T213 N214 | E206-R210 VanDerWaalsContact O-CB 3.29Å; E206-R210 WeakPolarHBondContact O-CB 3.5Å; E206-R210 PolarHBondContact O-N 2.96Å; E207-R210 PolarHBondContact O-N 3.06Å; I208-R210 VanDerWaalsContact C-N 3.31Å; I208-R210 PolarHBondContact O-N 3.39Å; R210-T213 PolarHBondContact O-N 3.47Å; R210-N214 VanDerWaalsContact O-CB 3.31Å; R210-N214 WeakPolarHBondContact O-CB 3.5Å; R210-N214 PolarHBondContact O-N 2.98Å; R210-N214 PolarHBondContact O-ND2 2.95Å |
| 211 | F | 92.2 | Very high | 86.6 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 175.5 | 169.9 | -101.5 | 0 | 0 | 0 | 112.1 | Y180 E207 I208 H209 T213 N214 T215 | Y180-F211 HydrophobicContact CD2-CB 3.84Å; Y180-F211 AromaticContact CD2-CD1 3.49Å; Y180-F211 HydrophobicContact CD2-CD1 3.49Å; Y180-F211 VanDerWaalsContact CD2-CD1 3.49Å; Y180-F211 AromaticContact CD2-CD2 3.37Å; Y180-F211 HydrophobicContact CD2-CD2 3.37Å; Y180-F211 AromaticContact CD2-CE1 3.8Å; Y180-F211 HydrophobicContact CD2-CE1 3.8Å; Y180-F211 AromaticContact CD2-CE2 3.68Å; Y180-F211 HydrophobicContact CD2-CE2 3.68Å; Y180-F211 AromaticContact CD2-CG 3.25Å; Y180-F211 HydrophobicContact CD2-CG 3.25Å; Y180-F211 AromaticContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CD2-CZ 3.88Å; Y180-F211 HydrophobicContact CE2-CB 3.75Å; Y180-F211 HydrophobicContact CE2-CD1 4.27Å; Y180-F211 AromaticContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CD2 3.53Å; Y180-F211 HydrophobicContact CE2-CE2 4.16Å; Y180-F211 AromaticContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CE2-CG 3.58Å; Y180-F211 HydrophobicContact CG-CB 4.43Å; Y180-F211 AromaticContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD1 3.84Å; Y180-F211 HydrophobicContact CG-CD2 4.47Å; Y180-F211 HydrophobicContact CG-CE1 4.17Å; Y180-F211 AromaticContact CG-CG 3.99Å; Y180-F211 HydrophobicContact CG-CG 3.99Å; E207-F211 PolarHBondContact O-N 3.48Å; I208-F211 WeakPolarHBondContact O-CB 3.41Å; I208-F211 PolarHBondContact O-N 2.8Å; I208-F211 VanDerWaalsContact O-N 3.15Å; H209-F211 PolarHBondContact O-N 3.26Å; F211-T213 VanDerWaalsContact C-N 3.33Å; F211-T213 PolarHBondContact O-N 2.86Å; F211-N214 PolarHBondContact O-N 3.46Å; F211-T215 HydrophobicContact CD2-CG2 3.97Å; F211-T215 HydrophobicContact CE1-CG2 4.24Å; F211-T215 HydrophobicContact CE2-CG2 3.57Å; F211-T215 HydrophobicContact CG-CG2 4.48Å; F211-T215 HydrophobicContact CZ-CG2 3.73Å; F211-T215 WeakPolarHBondContact O-CB 3.19Å; F211-T215 WeakPolarHBondContact O-CG2 3.43Å; F211-T215 PolarHBondContact O-N 3.11Å; F211-T215 PolarHBondContact O-OG1 2.88Å |
| 212 | I | 89.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.3 | -65.7 | 160.7 | 0 | 0 | 0 | 110.9 | L173 I208 H209 N214 T215 K216 M222 V227 | L173-I212 HydrophobicContact CD1-CD1 3.69Å; L173-I212 HydrophobicContact CD1-CG1 4.43Å; L173-I212 HydrophobicContact CD1-CG2 4.31Å; I208-I212 HydrophobicContact CG2-CD1 3.76Å; I208-I212 HydrophobicContact CG2-CG1 4.44Å; I208-I212 WeakPolarHBondContact O-CG1 3.25Å; I208-I212 PolarHBondContact O-N 3.31Å; H209-I212 PolarHBondContact O-N 3.14Å; I212-N214 PolarHBondContact O-N 3.12Å; I212-T215 WeakPolarHBondContact CA-OG1 3.31Å; I212-T215 PolarHBondContact O-N 2.98Å; I212-T215 PolarHBondContact O-OG1 3.4Å; I212-K216 PolarHBondContact O-N 3.37Å; I212-M222 HydrophobicContact CG2-SD 3.85Å; I212-V227 HydrophobicContact CD1-CG1 4.11Å; I212-V227 HydrophobicContact CD1-CG2 3.92Å |
| 213 | T | 87.6 | Confident | 85.3 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | H209 R210 F211 K216 | H209-T213 WeakPolarHBondContact O-CB 3.49Å; H209-T213 PolarHBondContact O-N 3.28Å; H209-T213 PolarHBondContact O-OG1 3.15Å; R210-T213 PolarHBondContact O-N 3.47Å; F211-T213 VanDerWaalsContact C-N 3.33Å; F211-T213 PolarHBondContact O-N 2.86Å; T213-K216 PolarHBondContact O-N 3.38Å |
| 214 | N | 88.9 | Confident | 85 | Confident | 120 Ų | 120 | 67.6 Ų | 67.6 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.6 | -33.6 | -178.3 | -73.5 | -13.9 | 0 | 0 | 0 | 113.4 | R210 F211 I212 K216 | R210-N214 VanDerWaalsContact O-CB 3.31Å; R210-N214 WeakPolarHBondContact O-CB 3.5Å; R210-N214 PolarHBondContact O-N 2.98Å; R210-N214 PolarHBondContact O-ND2 2.95Å; F211-N214 PolarHBondContact O-N 3.46Å; I212-N214 PolarHBondContact O-N 3.12Å; N214-K216 PolarHBondContact O-N 2.62Å |
| 215 | T | 86.2 | Confident | 84.5 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 36% | 0.362 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74.1 | -12.3 | 178.6 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | F211 I212 I217 | F211-T215 HydrophobicContact CD2-CG2 3.97Å; F211-T215 HydrophobicContact CE1-CG2 4.24Å; F211-T215 HydrophobicContact CE2-CG2 3.57Å; F211-T215 HydrophobicContact CG-CG2 4.48Å; F211-T215 HydrophobicContact CZ-CG2 3.73Å; F211-T215 WeakPolarHBondContact O-CB 3.19Å; F211-T215 WeakPolarHBondContact O-CG2 3.43Å; F211-T215 PolarHBondContact O-N 3.11Å; F211-T215 PolarHBondContact O-OG1 2.88Å; I212-T215 WeakPolarHBondContact CA-OG1 3.31Å; I212-T215 PolarHBondContact O-N 2.98Å; I212-T215 PolarHBondContact O-OG1 3.4Å; T215-I217 PolarHBondContact O-N 2.85Å; T215-I217 VanDerWaalsContact O-N 3.15Å; T215-I217 VanDerWaalsContact OG1-CD1 3.23Å; T215-I217 WeakPolarHBondContact OG1-CD1 3Å; T215-I217 WeakPolarHBondContact OG1-CG1 3.4Å |
| 216 | K | 80.3 | Confident | 84 | Confident | 178 Ų | 178 | 72.5 Ų | 72.5 | 77% | 0.774 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 34.3 | -178.8 | -60.7 | -175.3 | 178.9 | -178.6 | 0 | 112.9 | I212 T213 N214 C218 | I212-K216 PolarHBondContact O-N 3.37Å; T213-K216 PolarHBondContact O-N 3.38Å; N214-K216 PolarHBondContact O-N 2.62Å; K216-C218 PolarHBondContact O-N 2.92Å |
| 217 | I | 75.4 | Confident | 83.9 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | trans | -63 | -33.9 | 176.6 | -65.2 | 167.2 | 0 | 0 | 0 | 110 | I172 A176 T215 | I172-I217 HydrophobicContact CG2-CG2 3.67Å; A176-I217 HydrophobicContact CB-CD1 3.77Å; T215-I217 PolarHBondContact O-N 2.85Å; T215-I217 VanDerWaalsContact O-N 3.15Å; T215-I217 VanDerWaalsContact OG1-CD1 3.23Å; T215-I217 WeakPolarHBondContact OG1-CD1 3Å; T215-I217 WeakPolarHBondContact OG1-CG1 3.4Å | ||
| 218 | C | 70.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | trans | -106.7 | 133.7 | -178.8 | -54.4 | 0 | 0 | 0 | 0 | 109.7 | F169 K216 V220 M222 | F169-C218 HydrophobicContact CE2-CB 3.96Å; F169-C218 WeakPolarHBondContact CE2-SG 3.33Å; F169-C218 HydrophobicContact CZ-CB 4.24Å; K216-C218 PolarHBondContact O-N 2.92Å; C218-V220 VanDerWaalsContact C-N 3.29Å; C218-M222 HydrophobicContact CB-CG 4.43Å; C218-M222 HydrophobicContact CB-SD 4.19Å | ||
| 219 | T | 71.1 | Confident | 83.5 | Confident | 149 Ų | 149 | 70.9 Ų | 70.9 | 91% | 0.914 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -75.9 | -23.3 | 169.6 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 220 | V | 70.6 | Confident | 83.4 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -89 | 139.2 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | L158 C218 M222 | L158-V220 HydrophobicContact CD2-CG1 4.25Å; C218-V220 VanDerWaalsContact C-N 3.29Å; V220-M222 PolarHBondContact O-N 2.92Å |
| 221 | S | 72.8 | Confident | 83.4 | Confident | 104 Ų | 104 | 62.2 Ų | 62.2 | 73% | 0.727 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 117.2 | 173.6 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | L158 | L158-S221 WeakPolarHBondContact CD2-O 3.16Š|
| 222 | M | 76.9 | Confident | 83.4 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 141.6 | 177.2 | -69.2 | -172.5 | 68 | 0 | 0 | 111.4 | F169 L173 H209 I212 C218 V220 D226 V227 | F169-M222 HydrophobicContact CZ-SD 4.19Å; L173-M222 HydrophobicContact CD1-CE 3.62Å; L173-M222 HydrophobicContact CD1-SD 3.95Å; L173-M222 HydrophobicContact CD2-CE 3.28Å; L173-M222 HydrophobicContact CD2-SD 4.28Å; L173-M222 HydrophobicContact CG-CE 4.1Å; H209-M222 PolarHBondContact NE2-O 3.24Å; I212-M222 HydrophobicContact CG2-SD 3.85Å; C218-M222 HydrophobicContact CB-CG 4.43Å; C218-M222 HydrophobicContact CB-SD 4.19Å; V220-M222 PolarHBondContact O-N 2.92Å; M222-D226 HydrophobicContact CE-CB 4.06Å; M222-V227 HydrophobicContact CE-CG2 3.76Å |
| 223 | T | 83.3 | Confident | 83.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 166.8 | 170.9 | 70.3 | 0 | 0 | 0 | 0 | 111 | L158 H209 Q225 D226 | L158-T223 HydrophobicContact CD1-CG2 4.34Å; H209-T223 PolarHBondContact CD2-O 3.47Å; T223-Q225 VanDerWaalsContact C-N 3.25Å; T223-Q225 PolarHBondContact O-N 2.99Å; T223-Q225 PolarHBondContact OG1-N 3.47Å; T223-D226 WeakPolarHBondContact CB-OD2 3.12Å; T223-D226 PolarHBondContact N-OD2 3.45Å; T223-D226 PolarHBondContact O-N 3.33Å; T223-D226 PolarHBondContact OG1-N 2.95Å; T223-D226 PolarHBondContact OG1-OD2 3.48Å |
| 224 | V | 87.9 | Confident | 83.8 | Confident | 42 Ų | 42 | 63.4 Ų | 63.4 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | C205 H209 D226 V227 Q228 | C205-V224 HydrophobicContact CB-CG1 4.41Å; H209-V224 HydrophobicContact CB-CG2 4.42Å; V224-D226 VanDerWaalsContact C-N 3.34Å; V224-D226 PolarHBondContact O-N 3.23Å; V224-V227 PolarHBondContact O-N 2.93Å; V224-Q228 PolarHBondContact O-N 3.39Å |
| 225 | Q | 84.9 | Confident | 84 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 61% | 0.607 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.9 | -37.3 | 179.1 | -69.3 | 77.3 | 5 | 0 | 0 | 112.2 | T223 Q228 C229 | T223-Q225 VanDerWaalsContact C-N 3.25Å; T223-Q225 PolarHBondContact O-N 2.99Å; T223-Q225 PolarHBondContact OG1-N 3.47Å; Q225-Q228 PolarHBondContact O-N 3.4Å; Q225-C229 WeakPolarHBondContact O-CB 3.42Å; Q225-C229 PolarHBondContact O-N 3.5Å |
| 226 | D | 82.8 | Confident | 84.2 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.8 | -57 | -44.9 | 0 | 0 | 0 | 111.3 | L158 F159 M222 T223 V224 Q228 C229 V230 | L158-D226 WeakPolarHBondContact CD1-OD1 3.42Å; L158-D226 WeakPolarHBondContact CD1-OD2 3.13Å; F159-D226 HydrophobicContact CZ-CB 4.31Å; M222-D226 HydrophobicContact CE-CB 4.06Å; T223-D226 WeakPolarHBondContact CB-OD2 3.12Å; T223-D226 PolarHBondContact N-OD2 3.45Å; T223-D226 PolarHBondContact O-N 3.33Å; T223-D226 PolarHBondContact OG1-N 2.95Å; T223-D226 PolarHBondContact OG1-OD2 3.48Å; V224-D226 VanDerWaalsContact C-N 3.34Å; V224-D226 PolarHBondContact O-N 3.23Å; D226-Q228 VanDerWaalsContact C-N 3.34Å; D226-C229 WeakPolarHBondContact O-CB 3.36Å; D226-C229 PolarHBondContact O-N 3.34Å; D226-V230 PolarHBondContact O-N 3.47Å |
| 227 | V | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 110 | I208 H209 I212 M222 V224 C229 V230 L231 | I208-V227 HydrophobicContact CB-CG1 4.31Å; I208-V227 HydrophobicContact CG2-CG1 3.87Å; H209-V227 HydrophobicContact CB-CG2 4.16Å; I212-V227 HydrophobicContact CD1-CG1 4.11Å; I212-V227 HydrophobicContact CD1-CG2 3.92Å; M222-V227 HydrophobicContact CE-CG2 3.76Å; V224-V227 PolarHBondContact O-N 2.93Å; V227-C229 VanDerWaalsContact C-N 3.32Å; V227-C229 PolarHBondContact O-N 2.83Å; V227-V230 PolarHBondContact O-N 3.38Å; V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.31Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.34Å; V227-L231 PolarHBondContact O-N 3.38Å |
| 228 | Q | 91 | Very high | 85.3 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 176.2 | -174.9 | -179.9 | -21.8 | 0 | 0 | 111.6 | V224 Q225 D226 V230 L231 E232 | V224-Q228 PolarHBondContact O-N 3.39Å; Q225-Q228 PolarHBondContact O-N 3.4Å; D226-Q228 VanDerWaalsContact C-N 3.34Å; Q228-V230 VanDerWaalsContact C-N 3.32Å; Q228-V230 PolarHBondContact O-N 2.99Å; Q228-L231 PolarHBondContact O-N 3.49Å; Q228-L231 VanDerWaalsContact O-N 3.15Å; Q228-E232 PolarHBondContact NE2-OE1 3.49Å; Q228-E232 WeakPolarHBondContact O-CG 3.38Å; Q228-E232 PolarHBondContact O-N 2.82Å |
| 229 | C | 88.5 | Confident | 86.3 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | F159 Q225 D226 V227 L231 E232 V233 | F159-C229 HydrophobicContact CZ-CB 4.47Å; Q225-C229 WeakPolarHBondContact O-CB 3.42Å; Q225-C229 PolarHBondContact O-N 3.5Å; D226-C229 WeakPolarHBondContact O-CB 3.36Å; D226-C229 PolarHBondContact O-N 3.34Å; V227-C229 VanDerWaalsContact C-N 3.32Å; V227-C229 PolarHBondContact O-N 2.83Å; C229-L231 PolarHBondContact O-N 2.97Å; C229-E232 PolarHBondContact O-N 3.32Å; C229-V233 WeakPolarHBondContact O-CG2 3.28Å; C229-V233 PolarHBondContact O-N 2.8Å |
| 230 | V | 90 | Very high | 87.4 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | F159 L173 R174 D226 V227 Q228 E232 V233 L234 | F159-V230 HydrophobicContact CE1-CG2 4.11Å; F159-V230 HydrophobicContact CZ-CG2 4.18Å; L173-V230 HydrophobicContact CD2-CB 4.38Å; L173-V230 HydrophobicContact CD2-CG2 3.52Å; L173-V230 HydrophobicContact CG-CG1 4.31Å; L173-V230 HydrophobicContact CG-CG2 4.1Å; R174-V230 HydrophobicContact CB-CG1 4.4Å; D226-V230 PolarHBondContact O-N 3.47Å; V227-V230 PolarHBondContact O-N 3.38Å; Q228-V230 VanDerWaalsContact C-N 3.32Å; Q228-V230 PolarHBondContact O-N 2.99Å; V230-E232 VanDerWaalsContact C-N 3.31Å; V230-E232 PolarHBondContact O-N 3.45Å; V230-V233 PolarHBondContact O-N 3.08Å; V230-L234 HydrophobicContact CG1-CD1 4.18Å; V230-L234 WeakPolarHBondContact O-CG 3.23Å; V230-L234 PolarHBondContact O-N 3.11Å |
| 231 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 176.1 | -67.2 | 171.8 | 0 | 0 | 0 | 112.1 | C177 L181 C205 I208 V227 Q228 C229 L234 K235 L240 Y259 | C177-L231 HydrophobicContact CB-CD2 4.26Å; L181-L231 HydrophobicContact CD1-CD2 4.49Å; C205-L231 HydrophobicContact CB-CD1 4.3Å; I208-L231 HydrophobicContact CD1-CD1 3.87Å; I208-L231 HydrophobicContact CD1-CD2 3.77Å; I208-L231 HydrophobicContact CD1-CG 4.48Å; V227-L231 HydrophobicContact CG1-CD1 4.01Å; V227-L231 HydrophobicContact CG1-CG 4.31Å; V227-L231 VanDerWaalsContact O-CG 3.31Å; V227-L231 WeakPolarHBondContact O-CG 3.34Å; V227-L231 PolarHBondContact O-N 3.38Å; Q228-L231 PolarHBondContact O-N 3.49Å; Q228-L231 VanDerWaalsContact O-N 3.15Å; C229-L231 PolarHBondContact O-N 2.97Å; L231-L234 HydrophobicContact CD2-CD1 4.41Å; L231-L234 PolarHBondContact O-N 3.08Å; L231-K235 WeakPolarHBondContact O-CB 3.46Å; L231-K235 PolarHBondContact O-N 3.34Å; L231-L240 HydrophobicContact CD2-CD1 3.8Å; L231-Y259 HydrophobicContact CB-CD1 3.98Å; L231-Y259 HydrophobicContact CB-CE1 3.66Å; L231-Y259 HydrophobicContact CD1-CD1 4.43Å; L231-Y259 HydrophobicContact CD1-CD2 3.91Å; L231-Y259 HydrophobicContact CD1-CE1 4.36Å; L231-Y259 HydrophobicContact CD1-CE2 3.84Å; L231-Y259 HydrophobicContact CD1-CG 4.22Å |
| 232 | E | 91.9 | Very high | 89.5 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 173.4 | -74.3 | 177 | -170.1 | 0 | 0 | 111.4 | Q228 C229 V230 L234 K235 F236 | Q228-E232 PolarHBondContact NE2-OE1 3.49Å; Q228-E232 WeakPolarHBondContact O-CG 3.38Å; Q228-E232 PolarHBondContact O-N 2.82Å; C229-E232 PolarHBondContact O-N 3.32Å; V230-E232 VanDerWaalsContact C-N 3.31Å; V230-E232 PolarHBondContact O-N 3.45Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3Å; E232-K235 WeakPolarHBondContact O-CB 3.31Å; E232-K235 PolarHBondContact O-N 3.5Å; E232-K235 VanDerWaalsContact O-N 3.11Å; E232-F236 HydrophobicContact CB-CE2 4.33Å; E232-F236 WeakPolarHBondContact O-CD2 3.32Å; E232-F236 PolarHBondContact O-N 3.38Å |
| 233 | V | 91 | Very high | 90.2 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 173.8 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | C229 V230 K235 F236 G237 | C229-V233 WeakPolarHBondContact O-CG2 3.28Å; C229-V233 PolarHBondContact O-N 2.8Å; V230-V233 PolarHBondContact O-N 3.08Å; V233-K235 VanDerWaalsContact C-N 3.31Å; V233-K235 PolarHBondContact O-N 3.31Å; V233-F236 PolarHBondContact O-N 2.88Å; V233-G237 PolarHBondContact O-N 2.85Å |
| 234 | L | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -28 | 176.1 | -72.6 | 171.7 | 0 | 0 | 0 | 113.8 | R174 C177 L178 V230 L231 E232 E239 L240 | R174-L234 HydrophobicContact CG-CD1 4.49Å; R174-L234 HydrophobicContact CG-CD2 3.54Å; R174-L234 HydrophobicContact CG-CG 4.35Å; R174-L234 VanDerWaalsContact CZ-CD2 3.48Å; C177-L234 HydrophobicContact CB-CD1 3.94Å; L178-L234 HydrophobicContact CD1-CD2 4.02Å; L178-L234 HydrophobicContact CD2-CD1 4.41Å; L178-L234 HydrophobicContact CD2-CD2 4.09Å; L178-L234 HydrophobicContact CG-CD1 4.29Å; L178-L234 HydrophobicContact CG-CD2 4.05Å; V230-L234 HydrophobicContact CG1-CD1 4.18Å; V230-L234 WeakPolarHBondContact O-CG 3.23Å; V230-L234 PolarHBondContact O-N 3.11Å; L231-L234 HydrophobicContact CD2-CD1 4.41Å; L231-L234 PolarHBondContact O-N 3.08Å; E232-L234 VanDerWaalsContact C-N 3.31Å; E232-L234 PolarHBondContact O-N 3Å; L234-E239 PolarHBondContact O-N 2.85Å; L234-E239 VanDerWaalsContact O-N 3.12Å; L234-L240 HydrophobicContact CB-CD1 3.45Å; L234-L240 VanDerWaalsContact CB-CD1 3.45Å; L234-L240 HydrophobicContact CB-CG 3.73Å; L234-L240 HydrophobicContact CD1-CD1 4.03Å; L234-L240 HydrophobicContact CG-CD1 4.37Å; L234-L240 PolarHBondContact O-N 2.88Å; L234-L240 VanDerWaalsContact O-N 3.14Å |
| 235 | K | 92.9 | Very high | 90.5 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.7 | -45.4 | 171.2 | 176.4 | -167.1 | 178.7 | 170 | 0 | 110.4 | L231 E232 V233 G237 G238 L240 T242 | L231-K235 WeakPolarHBondContact O-CB 3.46Å; L231-K235 PolarHBondContact O-N 3.34Å; E232-K235 WeakPolarHBondContact O-CB 3.31Å; E232-K235 PolarHBondContact O-N 3.5Å; E232-K235 VanDerWaalsContact O-N 3.11Å; V233-K235 VanDerWaalsContact C-N 3.31Å; V233-K235 PolarHBondContact O-N 3.31Å; K235-G237 VanDerWaalsContact C-N 3.33Å; K235-G237 PolarHBondContact O-N 3.29Å; K235-G238 PolarHBondContact O-N 3.36Å; K235-G238 VanDerWaalsContact O-N 3.08Å; K235-L240 HydrophobicContact CB-CB 4.49Å; K235-T242 HydrophobicContact CD-CG2 3.67Å; K235-T242 WeakPolarHBondContact CE-OG1 3.43Å; K235-T242 HydrophobicContact CG-CG2 4.2Å; K235-T242 PolarHBondContact NZ-OG1 2.71Å; K235-T242 VanDerWaalsContact NZ-OG1 3.11Å |
| 236 | F | 90.8 | Very high | 90.3 | Very high | 166 Ų | 166 | 54.3 Ų | 54.3 | 73% | 0.728 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.4 | -29.6 | -179.6 | -69 | -59.3 | 0 | 0 | 0 | 113.3 | E232 V233 G238 | E232-F236 HydrophobicContact CB-CE2 4.33Å; E232-F236 WeakPolarHBondContact O-CD2 3.32Å; E232-F236 PolarHBondContact O-N 3.38Å; V233-F236 PolarHBondContact O-N 2.88Å; F236-G238 PolarHBondContact O-N 3.39Å |
| 237 | G | 89.3 | Confident | 89.6 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | V233 K235 E239 | V233-G237 PolarHBondContact O-N 2.85Å; K235-G237 VanDerWaalsContact C-N 3.33Å; K235-G237 PolarHBondContact O-N 3.29Å; G237-E239 VanDerWaalsContact C-N 3.31Å; G237-E239 WeakPolarHBondContact CA-OE2 3.39Å |
| 238 | G | 89.8 | Confident | 88.2 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 51% | 0.505 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 7.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K235 F236 A262 | K235-G238 PolarHBondContact O-N 3.36Å; K235-G238 VanDerWaalsContact O-N 3.08Å; F236-G238 PolarHBondContact O-N 3.39Å; G238-A262 VanDerWaalsContact O-CB 3.26Å; G238-A262 WeakPolarHBondContact O-CB 3.46Å |
| 239 | E | 92.2 | Very high | 86.7 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -78 | -27.4 | 176.6 | -57.8 | 89.5 | 166.2 | 0 | 0 | 112.4 | R174 L178 L234 G237 A262 | R174-E239 IonicContact CZ-OE1 3.18Å; R174-E239 IonicContact NH1-OE1 2.85Å; R174-E239 PolarHBondContact NH1-OE1 3.27Å; R174-E239 IonicContact NH1-OE2 3.51Å; R174-E239 IonicContact NH2-OE1 2.62Å; R174-E239 PolarHBondContact NH2-OE1 3.45Å; L178-E239 HydrophobicContact CD2-CB 4.04Å; L234-E239 PolarHBondContact O-N 2.85Å; L234-E239 VanDerWaalsContact O-N 3.12Å; G237-E239 VanDerWaalsContact C-N 3.31Å; G237-E239 WeakPolarHBondContact CA-OE2 3.39Å; E239-A262 WeakPolarHBondContact O-CB 3.42Å; E239-A262 PolarHBondContact O-N 3.46Å |
| 240 | L | 94.3 | Very high | 85.5 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.1 | -177.5 | -55.8 | -176.1 | 0 | 0 | 0 | 113.3 | L178 L181 L231 L234 K235 Y259 R260 L261 | L178-L240 HydrophobicContact CD2-CD2 4.17Å; L181-L240 HydrophobicContact CD1-CD1 3.97Å; L181-L240 HydrophobicContact CD1-CD2 3.43Å; L181-L240 VanDerWaalsContact CD1-CD2 3.43Å; L181-L240 HydrophobicContact CD1-CG 4.37Å; L231-L240 HydrophobicContact CD2-CD1 3.8Å; L234-L240 HydrophobicContact CB-CD1 3.45Å; L234-L240 VanDerWaalsContact CB-CD1 3.45Å; L234-L240 HydrophobicContact CB-CG 3.73Å; L234-L240 HydrophobicContact CD1-CD1 4.03Å; L234-L240 HydrophobicContact CG-CD1 4.37Å; L234-L240 PolarHBondContact O-N 2.88Å; L234-L240 VanDerWaalsContact O-N 3.14Å; K235-L240 HydrophobicContact CB-CB 4.49Å; L240-Y259 HydrophobicContact CD1-CD1 4.34Å; L240-R260 WeakPolarHBondContact CA-O 3.37Å; L240-L261 HydrophobicContact CD2-CD2 4.01Å |
| 241 | E | 92.9 | Very high | 84.2 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148.8 | 165.5 | -73.7 | 170.4 | -146 | 0 | 0 | 110.2 | Y259 R260 A262 T263 | E241-Y259 WeakPolarHBondContact O-CA 3.21Å; E241-R260 HydrophobicContact CB-CG 4.07Å; E241-R260 VanDerWaalsContact CD-NH2 3.34Å; E241-R260 PolarHBondContact N-O 3.13Å; E241-R260 PolarHBondContact O-N 3.4Å; E241-R260 IonicContact OE1-NH2 3.32Å; E241-R260 PolarHBondContact OE1-NH2 3.39Å; E241-R260 IonicContact OE2-CZ 3.21Å; E241-R260 IonicContact OE2-NE 3.01Å; E241-R260 PolarHBondContact OE2-NE 3.15Å; E241-R260 IonicContact OE2-NH2 2.66Å; E241-R260 PolarHBondContact OE2-NH2 2.95Å; E241-A262 HydrophobicContact CG-CB 3.79Å; E241-A262 WeakPolarHBondContact OE1-CA 3.26Å; E241-T263 PolarHBondContact OE1-N 3.32Å; E241-T263 VanDerWaalsContact OE1-N 3.15Å |
| 242 | T | 93.8 | Very high | 82.4 | Confident | 42 Ų | 42 | 84.1 Ų | 84.1 | 26% | 0.258 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 148.3 | 178.3 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | K235 I257 L258 Y259 | K235-T242 HydrophobicContact CD-CG2 3.67Å; K235-T242 WeakPolarHBondContact CE-OG1 3.43Å; K235-T242 HydrophobicContact CG-CG2 4.2Å; K235-T242 PolarHBondContact NZ-OG1 2.71Å; K235-T242 VanDerWaalsContact NZ-OG1 3.11Å; T242-I257 HydrophobicContact CG2-CG2 3.88Å; T242-L258 CarbonylContact C-O 3.58Å; T242-L258 WeakPolarHBondContact CA-O 3.33Å; T242-Y259 HydrophobicContact CG2-CD1 3.6Å; T242-Y259 HydrophobicContact CG2-CE1 3.57Å; T242-Y259 HydrophobicContact CG2-CG 4.49Å |
| 243 | R | 92.3 | Very high | 80.9 | Confident | 108 Ų | 108 | 84.5 Ų | 84.5 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.5 | 167.4 | 179.4 | 175.7 | 179.2 | -179.7 | -4.2 | 109.3 | Y202 L258 | Y202-R243 HydrophobicContact CD1-CB 4.13Å; Y202-R243 HydrophobicContact CE1-CB 3.57Å; R243-L258 PolarHBondContact N-O 3.03Å; R243-L258 PolarHBondContact O-N 2.9Å |
| 244 | I | 90.4 | Very high | 79.9 | Confident | 120 Ų | 120 | 83.2 Ų | 83.2 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129 | 172 | -55.9 | 173.3 | 0 | 0 | 0 | 107.3 | F255 | I244-F255 HydrophobicContact CG2-CB 4.49Å; I244-F255 HydrophobicContact CG2-CD1 3.98Å |
| 245 | T | 86.1 | Confident | 79.2 | Confident | 41 Ų | 41 | 90.4 Ų | 90.4 | 25% | 0.252 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.5 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 107.7 | F255 G256 L258 | T245-F255 CarbonylContact O-C 3.57Å; T245-F255 WeakPolarHBondContact O-CA 3.36Å; T245-G256 PolarHBondContact N-O 2.84Å; T245-G256 PolarHBondContact O-N 2.82Å; T245-L258 WeakPolarHBondContact OG1-CD1 3.37Å |
| 246 | S | 81.6 | Confident | 78.8 | Confident | 70 Ų | 70 | 88.1 Ų | 88.1 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.5 | 169.6 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 247 | E | 66.9 | Low | 78.8 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 107.8 | 166.5 | -68.4 | -175.7 | -179.9 | 0 | 0 | 107.7 | S249 S254 | E247-S249 PolarHBondContact O-N 3.4Å; E247-S254 PolarHBondContact N-O 2.96Å; E247-S254 PolarHBondContact O-N 3.35Å |
| 248 | T | 60.2 | Low | 79.1 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 100 | 173.9 | -52.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 249 | S | 59.7 | Low | 79.4 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 42% | 0.42 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 151.5 | 160 | 63.9 | 0 | 0 | 0 | 0 | 108.6 | E247 Q251 S252 | E247-S249 PolarHBondContact O-N 3.4Å; S249-Q251 PolarHBondContact O-N 3.04Å; S249-S252 PolarHBondContact N-O 2.93Å; S249-S252 VanDerWaalsContact N-O 3.1Å; S249-S252 PolarHBondContact O-N 3.45Å; S249-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 VanDerWaalsContact O-O 3.13Å; S249-S252 PolarHBondContact OG-O 3.02Å; S249-S252 PolarHBondContact OG-OG 2.9Å |
| 250 | E | 63.1 | Low | 79.4 | Confident | 201 Ų | 201 | 79.8 Ų | 79.8 | 94% | 0.939 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -13.5 | -171.6 | -65.6 | -177.9 | 165.5 | 0 | 0 | 115.1 | ||
| 251 | Q | 62.9 | Low | 79.5 | Confident | 188 Ų | 188 | 81.6 Ų | 81.6 | 88% | 0.879 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -6.7 | -176.2 | -62.1 | 177.9 | 6.2 | 0 | 0 | 114 | S249 | S249-Q251 PolarHBondContact O-N 3.04Š|
| 252 | S | 55.1 | Low | 79.4 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 138.1 | 177.5 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | S249 | S249-S252 PolarHBondContact N-O 2.93Å; S249-S252 VanDerWaalsContact N-O 3.1Å; S249-S252 PolarHBondContact O-N 3.45Å; S249-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 VanDerWaalsContact O-O 3.13Å; S249-S252 PolarHBondContact OG-O 3.02Å; S249-S252 PolarHBondContact OG-OG 2.9Å |
| 253 | T | 61.9 | Low | 78.9 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 109.7 | 171.4 | -32.4 | 0 | 0 | 0 | 0 | 108.1 | F255 | T253-F255 HydrophobicContact CG2-CZ 4.39Å |
| 254 | S | 68.7 | Low | 77.9 | Confident | 57 Ų | 57 | 86.3 Ų | 86.3 | 40% | 0.399 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.4 | 171.1 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | E247 | E247-S254 PolarHBondContact N-O 2.96Å; E247-S254 PolarHBondContact O-N 3.35Å |
| 255 | F | 77.9 | Confident | 76.7 | Confident | 152 Ų | 152 | 86.3 Ų | 86.3 | 67% | 0.667 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.1 | 174.7 | -66.1 | -78.9 | 0 | 0 | 0 | 109 | I244 T245 T253 | I244-F255 HydrophobicContact CG2-CB 4.49Å; I244-F255 HydrophobicContact CG2-CD1 3.98Å; T245-F255 CarbonylContact O-C 3.57Å; T245-F255 WeakPolarHBondContact O-CA 3.36Å; T253-F255 HydrophobicContact CG2-CZ 4.39Å |
| 256 | G | 84.5 | Confident | 75.8 | Confident | 34 Ų | 34 | 90 Ų | 90 | 35% | 0.351 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 149 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T245 | T245-G256 PolarHBondContact N-O 2.84Å; T245-G256 PolarHBondContact O-N 2.82Å |
| 257 | I | 91.6 | Very high | 74.9 | Confident | 67 Ų | 67 | 92.2 Ų | 92.2 | 34% | 0.344 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126 | 170.9 | -57.5 | 175.6 | 0 | 0 | 0 | 108.2 | T242 Y259 | T242-I257 HydrophobicContact CG2-CG2 3.88Å; I257-Y259 HydrophobicContact CB-CE2 4.22Å; I257-Y259 HydrophobicContact CG2-CD2 4.45Å; I257-Y259 HydrophobicContact CG2-CE1 4.12Å; I257-Y259 HydrophobicContact CG2-CE2 3.81Å |
| 258 | L | 94.4 | Very high | 74.9 | Confident | 32 Ų | 32 | 89.2 Ų | 89.2 | 17% | 0.168 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.5 | 172 | -58.1 | 179.1 | 0 | 0 | 0 | 110.2 | Y202 V203 T242 R243 T245 | Y202-L258 HydrophobicContact CD1-CB 3.84Å; Y202-L258 HydrophobicContact CG-CB 4.25Å; V203-L258 CarbonylContact O-C 3.57Å; V203-L258 WeakPolarHBondContact O-CA 3.26Å; T242-L258 CarbonylContact C-O 3.58Å; T242-L258 WeakPolarHBondContact CA-O 3.33Å; R243-L258 PolarHBondContact N-O 3.03Å; R243-L258 PolarHBondContact O-N 2.9Å; T245-L258 WeakPolarHBondContact OG1-CD1 3.37Å |
| 259 | Y | 95.8 | Very high | 75.6 | Confident | 4 Ų | 4 | 87.4 Ų | 87.4 | 2% | 0.016 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.2 | -177.2 | -58.9 | -94.1 | 0 | 0 | 0 | 110.1 | Y202 V203 C205 L231 L240 E241 T242 I257 | Y202-Y259 CarbonylContact C-O 3.49Å; Y202-Y259 WeakPolarHBondContact CA-O 3.46Å; V203-Y259 PolarHBondContact N-O 2.95Å; V203-Y259 PolarHBondContact O-N 3.15Å; C205-Y259 HydrophobicContact CB-CE2 4.24Å; L231-Y259 HydrophobicContact CB-CD1 3.98Å; L231-Y259 HydrophobicContact CB-CE1 3.66Å; L231-Y259 HydrophobicContact CD1-CD1 4.43Å; L231-Y259 HydrophobicContact CD1-CD2 3.91Å; L231-Y259 HydrophobicContact CD1-CE1 4.36Å; L231-Y259 HydrophobicContact CD1-CE2 3.84Å; L231-Y259 HydrophobicContact CD1-CG 4.22Å; L240-Y259 HydrophobicContact CD1-CD1 4.34Å; E241-Y259 WeakPolarHBondContact O-CA 3.21Å; T242-Y259 HydrophobicContact CG2-CD1 3.6Å; T242-Y259 HydrophobicContact CG2-CE1 3.57Å; T242-Y259 HydrophobicContact CG2-CG 4.49Å; I257-Y259 HydrophobicContact CB-CE2 4.22Å; I257-Y259 HydrophobicContact CG2-CD2 4.45Å; I257-Y259 HydrophobicContact CG2-CE1 4.12Å; I257-Y259 HydrophobicContact CG2-CE2 3.81Å |
| 260 | R | 94.1 | Very high | 76.5 | Confident | 39 Ų | 39 | 91 Ų | 91 | 15% | 0.147 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 163.9 | 167.4 | 71.1 | 169.5 | -166.8 | 130.3 | 1.8 | 109.7 | Y202 L240 E241 A262 | Y202-R260 HydrophobicContact CD1-CB 3.84Å; Y202-R260 HydrophobicContact CD1-CG 3.99Å; Y202-R260 HydrophobicContact CE1-CB 3.96Å; Y202-R260 HydrophobicContact CE1-CG 3.55Å; Y202-R260 HydrophobicContact CG-CB 4.3Å; Y202-R260 VanDerWaalsContact CZ-CD 3.45Å; Y202-R260 PolarHBondContact OH-NE 3.23Å; L240-R260 WeakPolarHBondContact CA-O 3.37Å; E241-R260 HydrophobicContact CB-CG 4.07Å; E241-R260 VanDerWaalsContact CD-NH2 3.34Å; E241-R260 PolarHBondContact N-O 3.13Å; E241-R260 PolarHBondContact O-N 3.4Å; E241-R260 IonicContact OE1-NH2 3.32Å; E241-R260 PolarHBondContact OE1-NH2 3.39Å; E241-R260 IonicContact OE2-CZ 3.21Å; E241-R260 IonicContact OE2-NE 3.01Å; E241-R260 PolarHBondContact OE2-NE 3.15Å; E241-R260 IonicContact OE2-NH2 2.66Å; E241-R260 PolarHBondContact OE2-NH2 2.95Å; R260-A262 PolarHBondContact O-N 3.15Å |
| 261 | L | 94.9 | Very high | 77.5 | Confident | 45 Ų | 45 | 86.8 Ų | 86.8 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 132 | 167.8 | -70.1 | 170.9 | 0 | 0 | 0 | 110.6 | L178 L181 Q182 A185 L240 | L178-L261 HydrophobicContact CD2-CD2 4.06Å; L181-L261 HydrophobicContact CB-CD2 4.18Å; L181-L261 HydrophobicContact CB-CG 3.98Å; Q182-L261 HydrophobicContact CB-CD1 4.17Å; Q182-L261 HydrophobicContact CG-CD1 3.57Å; Q182-L261 HydrophobicContact CG-CD2 4.45Å; A185-L261 HydrophobicContact CB-CD1 4.08Å; L240-L261 HydrophobicContact CD2-CD2 4.01Å |
| 262 | A | 91.6 | Very high | 78.5 | Confident | 20 Ų | 20 | 80 Ų | 80 | 17% | 0.165 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 150.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G238 E239 E241 R260 Q264 | G238-A262 VanDerWaalsContact O-CB 3.26Å; G238-A262 WeakPolarHBondContact O-CB 3.46Å; E239-A262 WeakPolarHBondContact O-CB 3.42Å; E239-A262 PolarHBondContact O-N 3.46Å; E241-A262 HydrophobicContact CG-CB 3.79Å; E241-A262 WeakPolarHBondContact OE1-CA 3.26Å; R260-A262 PolarHBondContact O-N 3.15Å; A262-Q264 PolarHBondContact O-N 2.66Å |
| 263 | T | 83.6 | Confident | 79.7 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -71 | 117 | 168.2 | -48.4 | 0 | 0 | 0 | 0 | 107.4 | E241 T265 | E241-T263 PolarHBondContact OE1-N 3.32Å; E241-T263 VanDerWaalsContact OE1-N 3.15Å; T263-T265 PolarHBondContact O-N 3.01Å |
| 264 | Q | 70.8 | Confident | 81 | Confident | 188 Ų | 188 | 80.3 Ų | 80.3 | 88% | 0.879 | 47% | 0.469 | S | S | * | . | trans | -59.2 | 111.5 | 179.5 | -66.7 | -173.4 | 22 | 0 | 0 | 109.1 | A262 | A262-Q264 PolarHBondContact O-N 2.66Š| ||
| 265 | T | 65.8 | Low | 82 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 73% | 0.73 | 45% | 0.452 | S | S | * | . | trans | -74.4 | 144.6 | 159.4 | 38.4 | 0 | 0 | 0 | 0 | 107.1 | T263 S267 | T263-T265 PolarHBondContact O-N 3.01Å; T265-S267 PolarHBondContact O-N 2.9Å | ||
| 266 | P | 66.1 | Low | 82.7 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 77% | 0.773 | 44% | 0.441 | S | S | * | . | trans | -51.5 | 118.9 | 179.1 | 17.5 | -28.7 | 0 | 0 | 0 | 109.3 | V268 | P266-V268 PolarHBondContact O-N 2.79Å; P266-V268 VanDerWaalsContact O-N 3.08Å | ||
| 267 | S | 63.6 | Low | 83 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 82% | 0.818 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -62 | -23.1 | -162.7 | 55.9 | 0 | 0 | 0 | 0 | 114 | T265 | T265-S267 PolarHBondContact O-N 2.9Š|
| 268 | V | 67.4 | Low | 82.8 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -142.1 | 129.5 | 176 | -80.5 | 0 | 0 | 0 | 0 | 108.8 | P266 N270 A272 | P266-V268 PolarHBondContact O-N 2.79Å; P266-V268 VanDerWaalsContact O-N 3.08Å; V268-N270 PolarHBondContact O-N 2.84Å; V268-A272 HydrophobicContact CB-CB 4.04Å; V268-A272 HydrophobicContact CG1-CB 4.07Å |
| 269 | A | 74.4 | Confident | 82.8 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 60% | 0.603 | 45% | 0.452 | S | S | * | . | trans | -58.2 | 138.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | L271 A272 | A269-L271 PolarHBondContact O-N 3.38Å; A269-A272 WeakPolarHBondContact O-CB 3.37Å; A269-A272 PolarHBondContact O-N 3.28Å | ||
| 270 | N | 79.1 | Confident | 82.6 | Confident | 136 Ų | 136 | 84.9 Ų | 84.9 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -50.3 | -22.4 | 178.7 | -72.7 | -20.7 | 0 | 0 | 0 | 113.3 | V268 A272 N273 | V268-N270 PolarHBondContact O-N 2.84Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.98Å; N270-N273 WeakPolarHBondContact O-CB 3.42Å; N270-N273 PolarHBondContact O-N 2.84Å |
| 271 | L | 82.9 | Confident | 82.6 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -57.8 | -36 | 172.7 | -153.2 | 79.8 | 0 | 0 | 0 | 113.3 | A269 N273 I274 T277 | A269-L271 PolarHBondContact O-N 3.38Å; L271-N273 PolarHBondContact O-N 2.85Å; L271-I274 HydrophobicContact CD1-CD1 3.76Å; L271-I274 HydrophobicContact CG-CD1 4.32Å; L271-I274 VanDerWaalsContact O-CB 3.31Å; L271-I274 WeakPolarHBondContact O-CB 3.29Å; L271-I274 WeakPolarHBondContact O-CG1 3.31Å; L271-I274 PolarHBondContact O-N 3.19Å; L271-T277 HydrophobicContact CD2-CG2 4.05Å; L271-T277 HydrophobicContact CG-CG2 3.78Å; L271-T277 WeakPolarHBondContact O-CG2 3.38Å; L271-T277 PolarHBondContact O-OG1 2.96Å |
| 272 | A | 83.4 | Confident | 82.4 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -67.3 | -21.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V268 A269 N270 I274 | V268-A272 HydrophobicContact CB-CB 4.04Å; V268-A272 HydrophobicContact CG1-CB 4.07Å; A269-A272 WeakPolarHBondContact O-CB 3.37Å; A269-A272 PolarHBondContact O-N 3.28Å; N270-A272 VanDerWaalsContact C-N 3.28Å; N270-A272 PolarHBondContact O-N 2.98Å; A272-I274 PolarHBondContact O-N 2.93Å |
| 273 | N | 81.5 | Confident | 82.6 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -80.6 | -5.7 | 174.6 | -62.1 | -21 | 0 | 0 | 0 | 112.3 | N270 L271 F302 | N270-N273 WeakPolarHBondContact O-CB 3.42Å; N270-N273 PolarHBondContact O-N 2.84Å; L271-N273 PolarHBondContact O-N 2.85Å; N273-F302 WeakPolarHBondContact O-CE2 3.36Å; N273-F302 WeakPolarHBondContact O-CZ 3.28Å |
| 274 | I | 87.9 | Confident | 83.1 | Confident | 70 Ų | 70 | 99.1 Ų | 99.1 | 36% | 0.359 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -83.5 | 122.7 | 177.9 | -54.7 | 177.6 | 0 | 0 | 0 | 107.5 | L271 A272 C276 T277 | L271-I274 HydrophobicContact CD1-CD1 3.76Å; L271-I274 HydrophobicContact CG-CD1 4.32Å; L271-I274 VanDerWaalsContact O-CB 3.31Å; L271-I274 WeakPolarHBondContact O-CB 3.29Å; L271-I274 WeakPolarHBondContact O-CG1 3.31Å; L271-I274 PolarHBondContact O-N 3.19Å; A272-I274 PolarHBondContact O-N 2.93Å; I274-C276 HydrophobicContact CG2-CB 3.89Å; I274-C276 PolarHBondContact O-N 2.96Å; I274-T277 HydrophobicContact CB-CG2 4.5Å; I274-T277 PolarHBondContact O-N 3.38Å; I274-T277 PolarHBondContact O-OG1 3.37Å |
| 275 | P | 91.5 | Very high | 84.3 | Confident | 6 Ų | 6 | 92.3 Ų | 92.3 | 4% | 0.039 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -54.8 | -29.5 | -178.7 | 21.3 | -34.7 | 0 | 0 | 0 | 112.6 | T277 I278 C279 L298 F299 F302 | P275-T277 VanDerWaalsContact C-N 3.27Å; P275-T277 PolarHBondContact O-N 2.72Å; P275-I278 VanDerWaalsContact O-CG1 3.27Å; P275-I278 WeakPolarHBondContact O-CG1 3.39Å; P275-I278 PolarHBondContact O-N 3.42Å; P275-C279 WeakPolarHBondContact O-CB 3.43Å; P275-C279 PolarHBondContact O-N 2.77Å; P275-C279 VanDerWaalsContact O-N 3.08Å; P275-L298 HydrophobicContact CB-CD2 3.87Å; P275-L298 HydrophobicContact CB-CG 3.85Å; P275-L298 WeakPolarHBondContact O-CD2 3.46Å; P275-F299 HydrophobicContact CG-CD2 3.6Å; P275-F299 HydrophobicContact CG-CE2 4.12Å; P275-F302 HydrophobicContact CB-CB 4.15Å; P275-F302 HydrophobicContact CB-CD2 4.37Å; P275-F302 HydrophobicContact CB-CG 4.18Å; P275-F302 HydrophobicContact CG-CB 3.92Å; P275-F302 HydrophobicContact CG-CD1 3.87Å; P275-F302 HydrophobicContact CG-CD2 4.22Å; P275-F302 HydrophobicContact CG-CE1 4.48Å; P275-F302 HydrophobicContact CG-CG 3.71Å |
| 276 | C | 91.6 | Very high | 85.7 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -25.7 | 176.3 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | I274 R282 | I274-C276 HydrophobicContact CG2-CB 3.89Å; I274-C276 PolarHBondContact O-N 2.96Å; C276-R282 VanDerWaalsContact O-CD 3.27Å; C276-R282 WeakPolarHBondContact O-CD 3.21Å |
| 277 | T | 90.6 | Very high | 86.9 | Confident | 48 Ų | 48 | 93.7 Ų | 93.7 | 29% | 0.294 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -81.2 | -25 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | L271 I274 P275 | L271-T277 HydrophobicContact CD2-CG2 4.05Å; L271-T277 HydrophobicContact CG-CG2 3.78Å; L271-T277 WeakPolarHBondContact O-CG2 3.38Å; L271-T277 PolarHBondContact O-OG1 2.96Å; I274-T277 HydrophobicContact CB-CG2 4.5Å; I274-T277 PolarHBondContact O-N 3.38Å; I274-T277 PolarHBondContact O-OG1 3.37Å; P275-T277 VanDerWaalsContact C-N 3.27Å; P275-T277 PolarHBondContact O-N 2.72Å |
| 278 | I | 88.7 | Confident | 88.2 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 59% | 0.585 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -98 | -8.7 | 177.7 | 62 | 170 | 0 | 0 | 0 | 112.5 | P275 L280 | P275-I278 VanDerWaalsContact O-CG1 3.27Å; P275-I278 WeakPolarHBondContact O-CG1 3.39Å; P275-I278 PolarHBondContact O-N 3.42Å; I278-L280 PolarHBondContact O-N 3.1Å |
| 279 | C | 92.6 | Very high | 89.3 | Confident | 34 Ų | 34 | 92.9 Ų | 92.9 | 23% | 0.23 | 50% | 0.502 | C | S | . | . | trans | -64.6 | 118.3 | -178.5 | -177 | 0 | 0 | 0 | 0 | 112 | P275 C281 R282 L298 | P275-C279 WeakPolarHBondContact O-CB 3.43Å; P275-C279 PolarHBondContact O-N 2.77Å; P275-C279 VanDerWaalsContact O-N 3.08Å; C279-C281 VanDerWaalsContact C-N 3.25Å; C279-C281 PolarHBondContact O-N 3.1Å; C279-R282 HydrophobicContact CB-CB 4.24Å; C279-R282 WeakPolarHBondContact O-CB 3.49Å; C279-R282 PolarHBondContact O-N 3.45Å; C279-L298 HydrophobicContact CB-CD2 3.85Å | ||
| 280 | L | 93 | Very high | 90.2 | Very high | 174 Ų | 174 | 95.7 Ų | 95.7 | 91% | 0.911 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.9 | 177.9 | -62.2 | 177.9 | 0 | 0 | 0 | 113.1 | I278 | I278-L280 PolarHBondContact O-N 3.1Š|
| 281 | C | 93 | Very high | 90.9 | Very high | 54 Ų | 54 | 92.6 Ų | 92.6 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 16.1 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | C279 K283 D284 C285 I291 | C279-C281 VanDerWaalsContact C-N 3.25Å; C279-C281 PolarHBondContact O-N 3.1Å; C281-K283 PolarHBondContact O-N 2.79Å; C281-K283 VanDerWaalsContact O-N 3.12Å; C281-D284 PolarHBondContact O-N 2.67Å; C281-C285 PolarHBondContact O-N 3.26Å; C281-I291 HydrophobicContact CB-CD1 3.86Å; C281-I291 HydrophobicContact CB-CG2 4.38Å |
| 282 | R | 92.5 | Very high | 91.5 | Very high | 154 Ų | 154 | 88.2 Ų | 88.2 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -37.5 | -176.5 | -177.8 | -169.2 | 178.5 | 170 | -2.7 | 113 | C276 C279 D284 C285 | C276-R282 VanDerWaalsContact O-CD 3.27Å; C276-R282 WeakPolarHBondContact O-CD 3.21Å; C279-R282 HydrophobicContact CB-CB 4.24Å; C279-R282 WeakPolarHBondContact O-CB 3.49Å; C279-R282 PolarHBondContact O-N 3.45Å; R282-D284 VanDerWaalsContact C-N 3.28Å; R282-D284 PolarHBondContact O-N 3.25Å; R282-C285 PolarHBondContact O-N 3.28Å |
| 283 | K | 93.9 | Very high | 91.9 | Very high | 188 Ų | 188 | 89.4 Ų | 89.4 | 82% | 0.817 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.8 | -177.8 | -67.9 | -177.5 | 179 | 177.6 | 0 | 113.2 | C281 | C281-K283 PolarHBondContact O-N 2.79Å; C281-K283 VanDerWaalsContact O-N 3.12Å |
| 284 | D | 94.8 | Very high | 92.5 | Very high | 108 Ų | 108 | 93.2 Ų | 93.2 | 58% | 0.578 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -11.3 | -178.2 | -54.7 | -45.9 | 0 | 0 | 0 | 112.2 | C281 R282 R286 I291 | C281-D284 PolarHBondContact O-N 2.67Å; R282-D284 VanDerWaalsContact C-N 3.28Å; R282-D284 PolarHBondContact O-N 3.25Å; D284-R286 PolarHBondContact O-N 3.29Å; D284-I291 HydrophobicContact CB-CD1 4.28Å |
| 285 | C | 95.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 93.5 Ų | 93.5 | 30% | 0.304 | 50% | 0.501 | S | S | . | . | trans | -74.3 | 117.6 | -179.3 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | C281 R282 I291 | C281-C285 PolarHBondContact O-N 3.26Å; R282-C285 PolarHBondContact O-N 3.28Å; C285-I291 WeakPolarHBondContact CA-O 3.43Å; C285-I291 HydrophobicContact CB-CG2 4.04Å | ||
| 286 | R | 94.7 | Very high | 92.8 | Very high | 166 Ų | 166 | 94.8 Ų | 94.8 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | trans | -139.8 | 150 | 177.3 | -60.4 | -171.7 | -173.9 | -95 | -4 | 110.8 | D284 D288 G289 I291 N292 | D284-R286 PolarHBondContact O-N 3.29Å; R286-D288 PolarHBondContact O-N 3.47Å; R286-G289 PolarHBondContact O-N 2.86Å; R286-G289 VanDerWaalsContact O-N 3.14Å; R286-I291 PolarHBondContact N-O 2.92Å; R286-N292 WeakPolarHBondContact O-CA 3.4Å; R286-N292 WeakPolarHBondContact O-CB 3.38Å | ||
| 287 | P | 92.9 | Very high | 92.9 | Very high | 101 Ų | 101 | 99.5 Ų | 99.5 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 134 | 163 | -21.9 | 33.5 | 0 | 0 | 0 | 109.2 | G289 | P287-G289 PolarHBondContact O-N 3.05Š|
| 288 | D | 89.8 | Confident | 92.9 | Very high | 150 Ų | 150 | 100.1 Ų | 100.1 | 80% | 0.802 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 6.3 | -178.5 | -45 | -45 | 0 | 0 | 0 | 117 | R286 | R286-D288 PolarHBondContact O-N 3.47Š|
| 289 | G | 91.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 98.8 Ų | 98.8 | 19% | 0.186 | 51% | 0.514 | C | S | . | . | S | Bend | trans | -81.6 | 166.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R286 P287 I291 N292 | R286-G289 PolarHBondContact O-N 2.86Å; R286-G289 VanDerWaalsContact O-N 3.14Å; P287-G289 PolarHBondContact O-N 3.05Å; G289-I291 PolarHBondContact O-N 3.42Å; G289-N292 PolarHBondContact O-ND2 3.12Å |
| 290 | P | 92.6 | Very high | 93 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -62.6 | -28 | 171.5 | 27.4 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 291 | I | 94.4 | Very high | 93 | Very high | 70 Ų | 70 | 99.6 Ų | 99.6 | 36% | 0.359 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -109.9 | 113.4 | 167.3 | -55.7 | 176.8 | 0 | 0 | 0 | 106.1 | C281 D284 C285 R286 G289 | C281-I291 HydrophobicContact CB-CD1 3.86Å; C281-I291 HydrophobicContact CB-CG2 4.38Å; D284-I291 HydrophobicContact CB-CD1 4.28Å; C285-I291 WeakPolarHBondContact CA-O 3.43Å; C285-I291 HydrophobicContact CB-CG2 4.04Å; R286-I291 PolarHBondContact N-O 2.92Å; G289-I291 PolarHBondContact O-N 3.42Å |
| 292 | N | 94.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 100.9 Ų | 100.9 | 11% | 0.112 | 51% | 0.509 | C | S | . | . | trans | -143.7 | 159.7 | -175.8 | 67.7 | 72.1 | 0 | 0 | 0 | 109.6 | R286 G289 Q294 S295 C296 | R286-N292 WeakPolarHBondContact O-CA 3.4Å; R286-N292 WeakPolarHBondContact O-CB 3.38Å; G289-N292 PolarHBondContact O-ND2 3.12Å; N292-Q294 VanDerWaalsContact C-N 3.32Å; N292-Q294 PolarHBondContact O-N 3.05Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.48Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.33Å; N292-Q294 PolarHBondContact OD1-N 3.38Å; N292-S295 PolarHBondContact ND2-OG 2.94Å; N292-S295 PolarHBondContact OD1-N 2.61Å; N292-S295 PolarHBondContact OD1-OG 2.8Å; N292-C296 WeakPolarHBondContact O-CB 3.32Å; N292-C296 PolarHBondContact O-N 3.31Å | ||
| 293 | P | 93.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 98.8 Ų | 98.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -69.4 | -26.1 | -179.3 | 25.9 | -33.8 | 0 | 0 | 0 | 113.8 | C296 | P293-C296 WeakPolarHBondContact O-CB 3.3Å; P293-C296 PolarHBondContact O-N 3.29Å |
| 294 | Q | 92.6 | Very high | 92.6 | Very high | 171 Ų | 171 | 96.4 Ų | 96.4 | 80% | 0.799 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36.8 | -175.9 | -65.1 | 174.9 | -14.2 | 0 | 0 | 112.5 | N292 | N292-Q294 VanDerWaalsContact C-N 3.32Å; N292-Q294 PolarHBondContact O-N 3.05Å; N292-Q294 WeakPolarHBondContact OD1-CA 3.48Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.33Å; N292-Q294 PolarHBondContact OD1-N 3.38Å |
| 295 | S | 92.5 | Very high | 91.8 | Very high | 76 Ų | 76 | 100.9 Ų | 100.9 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 23.2 | 176.4 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | N292 K297 | N292-S295 PolarHBondContact ND2-OG 2.94Å; N292-S295 PolarHBondContact OD1-N 2.61Å; N292-S295 PolarHBondContact OD1-OG 2.8Å; S295-K297 PolarHBondContact O-N 2.88Å |
| 296 | C | 94.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 103.7 Ų | 103.7 | 22% | 0.223 | 53% | 0.526 | C | S | . | . | trans | -75 | 112 | -175.8 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | N292 P293 L298 F299 Q300 | N292-C296 WeakPolarHBondContact O-CB 3.32Å; N292-C296 PolarHBondContact O-N 3.31Å; P293-C296 WeakPolarHBondContact O-CB 3.3Å; P293-C296 PolarHBondContact O-N 3.29Å; C296-L298 PolarHBondContact O-N 3.5Å; C296-F299 HydrophobicContact CB-CB 3.77Å; C296-F299 PolarHBondContact O-N 2.86Å; C296-F299 PolarHBondContact SG-N 2.92Å; C296-F299 VanDerWaalsContact SG-N 3.38Å; C296-Q300 PolarHBondContact O-N 3.17Å | ||
| 297 | K | 92.4 | Very high | 91.5 | Very high | 163 Ų | 163 | 100.4 Ų | 100.4 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 176.1 | -64.1 | -174.3 | 178.5 | -175.1 | 0 | 113 | S295 F299 Q300 E301 | S295-K297 PolarHBondContact O-N 2.88Å; K297-F299 VanDerWaalsContact C-N 3.26Å; K297-F299 PolarHBondContact O-N 3.43Å; K297-Q300 PolarHBondContact O-N 3.4Å; K297-E301 WeakPolarHBondContact O-CB 3.28Å; K297-E301 WeakPolarHBondContact O-CG 3.35Å; K297-E301 PolarHBondContact O-N 3.38Å |
| 298 | L | 92.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 100.4 Ų | 100.4 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 178.6 | -174.4 | 71.9 | 0 | 0 | 0 | 111.5 | P275 C279 C296 F302 | P275-L298 HydrophobicContact CB-CD2 3.87Å; P275-L298 HydrophobicContact CB-CG 3.85Å; P275-L298 WeakPolarHBondContact O-CD2 3.46Å; C279-L298 HydrophobicContact CB-CD2 3.85Å; C296-L298 PolarHBondContact O-N 3.5Å; L298-F302 WeakPolarHBondContact O-CB 3.44Å; L298-F302 PolarHBondContact O-N 2.85Å |
| 299 | F | 91.5 | Very high | 91.5 | Very high | 86 Ų | 86 | 97.5 Ų | 97.5 | 38% | 0.377 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.4 | -38.9 | 178 | -162.5 | -112.4 | 0 | 0 | 0 | 111.4 | P275 C296 K297 F302 L303 | P275-F299 HydrophobicContact CG-CD2 3.6Å; P275-F299 HydrophobicContact CG-CE2 4.12Å; C296-F299 HydrophobicContact CB-CB 3.77Å; C296-F299 PolarHBondContact O-N 2.86Å; C296-F299 PolarHBondContact SG-N 2.92Å; C296-F299 VanDerWaalsContact SG-N 3.38Å; K297-F299 VanDerWaalsContact C-N 3.26Å; K297-F299 PolarHBondContact O-N 3.43Å; F299-F302 WeakPolarHBondContact O-CB 3.4Å; F299-F302 PolarHBondContact O-N 3.31Å; F299-L303 HydrophobicContact CD1-CD1 3.83Å; F299-L303 HydrophobicContact CE1-CD1 3.59Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CZ-CD1 4.19Å; F299-L303 WeakPolarHBondContact O-CG 3.4Å; F299-L303 PolarHBondContact O-N 2.87Å; F299-L303 VanDerWaalsContact O-N 3.14Å |
| 300 | Q | 91.4 | Very high | 91.5 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -50.9 | 176.2 | -173.9 | 176.2 | -8.5 | 0 | 0 | 111.5 | C296 K297 F302 L303 E304 | C296-Q300 PolarHBondContact O-N 3.17Å; K297-Q300 PolarHBondContact O-N 3.4Å; Q300-F302 PolarHBondContact O-N 2.74Å; Q300-L303 PolarHBondContact O-N 3.06Å; Q300-E304 PolarHBondContact NE2-OE1 3.09Å; Q300-E304 WeakPolarHBondContact O-CG 3.33Å; Q300-E304 PolarHBondContact O-N 2.98Å; Q300-E304 VanDerWaalsContact O-N 3.16Å |
| 301 | E | 91.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.4 | -45.3 | 172.3 | -74.2 | 173.7 | -162.5 | 0 | 0 | 109.8 | K297 L303 E304 F305 | K297-E301 WeakPolarHBondContact O-CB 3.28Å; K297-E301 WeakPolarHBondContact O-CG 3.35Å; K297-E301 PolarHBondContact O-N 3.38Å; E301-L303 PolarHBondContact O-N 3.39Å; E301-L303 VanDerWaalsContact O-N 3.11Å; E301-E304 PolarHBondContact O-N 3.03Å; E301-F305 VanDerWaalsContact C-CZ 3.49Å; E301-F305 WeakPolarHBondContact O-CD1 3.44Å; E301-F305 WeakPolarHBondContact O-CE1 3.46Å; E301-F305 WeakPolarHBondContact O-CE2 3.38Å; E301-F305 WeakPolarHBondContact O-CZ 3.18Å |
| 302 | F | 90.3 | Very high | 91.2 | Very high | 82 Ų | 82 | 102.6 Ų | 102.6 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56.5 | -28.6 | 177.8 | -174.1 | -96.8 | 0 | 0 | 0 | 114.8 | N273 P275 L298 F299 Q300 F305 | N273-F302 WeakPolarHBondContact O-CE2 3.36Å; N273-F302 WeakPolarHBondContact O-CZ 3.28Å; P275-F302 HydrophobicContact CB-CB 4.15Å; P275-F302 HydrophobicContact CB-CD2 4.37Å; P275-F302 HydrophobicContact CB-CG 4.18Å; P275-F302 HydrophobicContact CG-CB 3.92Å; P275-F302 HydrophobicContact CG-CD1 3.87Å; P275-F302 HydrophobicContact CG-CD2 4.22Å; P275-F302 HydrophobicContact CG-CE1 4.48Å; P275-F302 HydrophobicContact CG-CG 3.71Å; L298-F302 WeakPolarHBondContact O-CB 3.44Å; L298-F302 PolarHBondContact O-N 2.85Å; F299-F302 WeakPolarHBondContact O-CB 3.4Å; F299-F302 PolarHBondContact O-N 3.31Å; Q300-F302 PolarHBondContact O-N 2.74Å; F302-F305 VanDerWaalsContact C-CE2 3.44Å; F302-F305 HydrophobicContact CB-CE2 4.25Å; F302-F305 HydrophobicContact CB-CZ 4.46Å; F302-F305 AromaticContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CG-CE2 4.23Å; F302-F305 WeakPolarHBondContact O-CD2 3.31Å; F302-F305 WeakPolarHBondContact O-CE2 3.49Å |
| 303 | L | 90.8 | Very high | 91 | Very high | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -95.8 | -8.1 | -179.1 | -67.7 | 174.2 | 0 | 0 | 0 | 113.5 | F299 Q300 E301 F305 | F299-L303 HydrophobicContact CD1-CD1 3.83Å; F299-L303 HydrophobicContact CE1-CD1 3.59Å; F299-L303 HydrophobicContact CE1-CG 4.42Å; F299-L303 HydrophobicContact CZ-CD1 4.19Å; F299-L303 WeakPolarHBondContact O-CG 3.4Å; F299-L303 PolarHBondContact O-N 2.87Å; F299-L303 VanDerWaalsContact O-N 3.14Å; Q300-L303 PolarHBondContact O-N 3.06Å; E301-L303 PolarHBondContact O-N 3.39Å; E301-L303 VanDerWaalsContact O-N 3.11Å; L303-F305 VanDerWaalsContact C-N 3.29Å |
| 304 | E | 91.1 | Very high | 90.7 | Very high | 137 Ų | 137 | 112.3 Ų | 112.3 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | trans | -80 | -9.8 | -179.3 | -79.4 | 175.6 | -173.5 | 0 | 0 | 113.3 | Q300 E301 | Q300-E304 PolarHBondContact NE2-OE1 3.09Å; Q300-E304 WeakPolarHBondContact O-CG 3.33Å; Q300-E304 PolarHBondContact O-N 2.98Å; Q300-E304 VanDerWaalsContact O-N 3.16Å; E301-E304 PolarHBondContact O-N 3.03Å | ||
| 305 | F | 78.1 | Confident | 90.6 | Very high | 203 Ų | 203 | 106.9 Ų | 106.9 | 89% | 0.89 | 52% | 0.516 | S | S | * | . | trans | -114.3 | 0 | 176.8 | 23 | -103.4 | 0 | 0 | 0 | 112.7 | E301 F302 L303 | E301-F305 VanDerWaalsContact C-CZ 3.49Å; E301-F305 WeakPolarHBondContact O-CD1 3.44Å; E301-F305 WeakPolarHBondContact O-CE1 3.46Å; E301-F305 WeakPolarHBondContact O-CE2 3.38Å; E301-F305 WeakPolarHBondContact O-CZ 3.18Å; F302-F305 VanDerWaalsContact C-CE2 3.44Å; F302-F305 HydrophobicContact CB-CE2 4.25Å; F302-F305 HydrophobicContact CB-CZ 4.46Å; F302-F305 AromaticContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CD2-CE2 3.87Å; F302-F305 HydrophobicContact CG-CE2 4.23Å; F302-F305 WeakPolarHBondContact O-CD2 3.31Å; F302-F305 WeakPolarHBondContact O-CE2 3.49Å; L303-F305 VanDerWaalsContact C-N 3.29Å |
Retrieved 305 of 305 residues in 88.1 ms
(Link to these results)