| 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 | 41.5 | Very low | 56.8 | Low | 226 Ų | 226 | 100.5 Ų | 100.5 | 100% | 1.113 | 50% | 0.496 | S | S | * | . | 0 | 104.2 | 0 | -75.7 | -155.5 | -103.2 | 0 | 0 | 108.8 | L3 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.87Å | |||
| 2 | E | 49.1 | Very low | 59.7 | Low | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | trans | -72.8 | 77.2 | -177.4 | -66.8 | 177.3 | 132.4 | 0 | 0 | 111.1 | H4 K5 Y6 | E2-H4 PolarHBondContact O-N 3.02Å; E2-K5 HydrophobicContact CB-CD 4.42Å; E2-K5 PolarHBondContact O-N 3.46Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-K5 VanDerWaalsContact OE2-CE 3.3Å; E2-K5 WeakPolarHBondContact OE2-CE 3.16Å; E2-K5 IonicContact OE2-NZ 3.01Å; E2-K5 PolarHBondContact OE2-NZ 3.41Å; E2-Y6 WeakPolarHBondContact O-CD2 3.32Å; E2-Y6 WeakPolarHBondContact O-CE2 3.06Å | ||
| 3 | L | 52.3 | Low | 62.3 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 64% | 0.644 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -56.5 | -16.2 | -178.5 | -83.7 | 153.4 | 0 | 0 | 0 | 114.4 | M1 K5 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.87Å; L3-K5 VanDerWaalsContact C-N 3.26Å; L3-K5 PolarHBondContact O-N 3.1Å |
| 4 | H | 53.1 | Low | 64.6 | Low | 139 Ų | 139 | 96.7 Ų | 96.7 | 64% | 0.644 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -67.3 | -23.7 | 177.9 | -59.9 | 142.1 | 0 | 0 | 0 | 113.5 | E2 | E2-H4 PolarHBondContact O-N 3.02Š|
| 5 | K | 53.8 | Low | 66.3 | Low | 119 Ų | 119 | 94.4 Ų | 94.4 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -72.6 | -27.6 | -178.7 | -77 | 174.3 | 174 | 167.2 | 0 | 114 | E2 L3 | E2-K5 HydrophobicContact CB-CD 4.42Å; E2-K5 PolarHBondContact O-N 3.46Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-K5 VanDerWaalsContact OE2-CE 3.3Å; E2-K5 WeakPolarHBondContact OE2-CE 3.16Å; E2-K5 IonicContact OE2-NZ 3.01Å; E2-K5 PolarHBondContact OE2-NZ 3.41Å; L3-K5 VanDerWaalsContact C-N 3.26Å; L3-K5 PolarHBondContact O-N 3.1Å |
| 6 | Y | 52.5 | Low | 67.9 | Low | 116 Ų | 116 | 92.1 Ų | 92.1 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -14.4 | -160.7 | -48.7 | -76.9 | 0 | 0 | 0 | 115 | E2 | E2-Y6 WeakPolarHBondContact O-CD2 3.32Å; E2-Y6 WeakPolarHBondContact O-CE2 3.06Å |
| 7 | W | 57.3 | Low | 69.4 | Low | 126 Ų | 126 | 89.8 Ų | 89.8 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -138.8 | 24.6 | -176.6 | -55.1 | 93.4 | 0 | 0 | 0 | 112.4 | V9 R286 L290 | W7-V9 VanDerWaalsContact C-N 3.35Å; W7-V9 PolarHBondContact O-N 2.86Å; W7-V9 VanDerWaalsContact O-N 3.12Å; W7-R286 PolarHBondContact O-NH2 3.14Å; W7-L290 HydrophobicContact CB-CD2 4.31Å |
| 8 | G | 53.6 | Low | 70.6 | Confident | 2 Ų | 2 | 93.2 Ų | 93.2 | 2% | 0.021 | 47% | 0.473 | C | S | . | . | trans | 33.6 | 50.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | G10 R286 | G8-G10 VanDerWaalsContact C-N 3.33Å; G8-G10 PolarHBondContact O-N 2.82Å; G8-R286 PolarHBondContact O-NH1 2.82Å; G8-R286 PolarHBondContact O-NH2 3.2Å | ||
| 9 | V | 58.7 | Low | 71.4 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 100 | 163.9 | -173.2 | 0 | 0 | 0 | 0 | 107.2 | W7 | W7-V9 VanDerWaalsContact C-N 3.35Å; W7-V9 PolarHBondContact O-N 2.86Å; W7-V9 VanDerWaalsContact O-N 3.12Å |
| 10 | G | 70.9 | Confident | 72.4 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | 60.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | G8 | G8-G10 VanDerWaalsContact C-N 3.33Å; G8-G10 PolarHBondContact O-N 2.82Å |
| 11 | G | 82.3 | Confident | 73.3 | Confident | 4 Ų | 4 | 88.5 Ų | 88.5 | 4% | 0.041 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 161.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113 | R13 | G11-R13 PolarHBondContact O-N 3.33Å; G11-R13 PolarHBondContact O-NH1 3.06Å |
| 12 | R | 91.6 | Very high | 75.8 | Confident | 111 Ų | 111 | 78 Ų | 78 | 42% | 0.419 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 137.4 | -176.8 | -179 | 178.2 | -76.3 | -89.9 | 4.5 | 110.2 | A22 F34 M55 E60 L61 | R12-A22 HydrophobicContact CB-CB 4.41Å; R12-A22 HydrophobicContact CG-CB 4.42Å; R12-A22 WeakPolarHBondContact O-CB 3.34Å; R12-A22 PolarHBondContact O-N 2.89Å; R12-F34 HydrophobicContact CG-CB 4.34Å; R12-F34 HydrophobicContact CG-CD1 4.5Å; R12-F34 HydrophobicContact CG-CG 4.27Å; R12-M55 HydrophobicContact CB-CE 4.33Å; R12-E60 PolarHBondContact N-O 2.82Å; R12-L61 HydrophobicContact CB-CD2 4.48Å; R12-L61 PolarHBondContact NE-O 2.99Å |
| 13 | R | 93.4 | Very high | 77.9 | Confident | 137 Ų | 137 | 73.6 Ų | 73.6 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 153.8 | 176 | -62.1 | -64.2 | -173.7 | -92.5 | 2.6 | 111.2 | G11 G15 | G11-R13 PolarHBondContact O-N 3.33Å; G11-R13 PolarHBondContact O-NH1 3.06Å; R13-G15 PolarHBondContact O-N 3.43Å |
| 14 | C | 94 | Very high | 79.9 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 125.8 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | S16 C17 E18 A20 F34 C36 | C14-S16 PolarHBondContact O-N 3.23Å; C14-S16 PolarHBondContact SG-N 3.23Å; C14-S16 VanDerWaalsContact SG-N 3.36Å; C14-C17 VanDerWaalsContact SG-SG 3.69Å; C14-E18 WeakPolarHBondContact O-CA 3.31Å; C14-E18 PolarHBondContact O-N 3.39Å; C14-A20 WeakPolarHBondContact CB-O 3.43Å; C14-A20 PolarHBondContact N-O 3.45Å; C14-F34 CarbonylContact C-O 3.51Å; C14-F34 WeakPolarHBondContact CA-O 3.4Å; C14-C36 HydrophobicContact CB-CB 3.84Å; C14-C36 PolarHBondContact SG-N 3.45Å; C14-C36 VanDerWaalsContact SG-SG 3.7Å |
| 15 | G | 91.5 | Very high | 81.9 | Confident | 62 Ų | 62 | 62.3 Ų | 62.3 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R13 F34 | R13-G15 PolarHBondContact O-N 3.43Å; G15-F34 PolarHBondContact N-O 3.24Å |
| 16 | S | 90.7 | Very high | 83.8 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -38.9 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 113.3 | C14 R42 | C14-S16 PolarHBondContact O-N 3.23Å; C14-S16 PolarHBondContact SG-N 3.23Å; C14-S16 VanDerWaalsContact SG-N 3.36Å; S16-R42 PolarHBondContact OG-NH1 2.92Å |
| 17 | C | 93.2 | Very high | 85.7 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 37% | 0.365 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -14.3 | -178.8 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | C14 G19 | C14-C17 VanDerWaalsContact SG-SG 3.69Å; C17-G19 PolarHBondContact O-N 3.33Å |
| 18 | E | 91.3 | Very high | 87.3 | Confident | 151 Ų | 151 | 54 Ų | 54 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 58.8 | -15.7 | -179.1 | -58 | -177.4 | 173.6 | 0 | 0 | 116.6 | C14 | C14-E18 WeakPolarHBondContact O-CA 3.31Å; C14-E18 PolarHBondContact O-N 3.39Å |
| 19 | G | 86.8 | Confident | 89 | Confident | 71 Ų | 71 | 55 Ų | 55 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -84.9 | -26.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C17 | C17-G19 PolarHBondContact O-N 3.33Š|
| 20 | A | 90.3 | Very high | 90.3 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -109.8 | 151.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | C14 C36 | C14-A20 WeakPolarHBondContact CB-O 3.43Å; C14-A20 PolarHBondContact N-O 3.45Å; A20-C36 HydrophobicContact CB-CB 3.52Å |
| 21 | P | 91.4 | Very high | 90.9 | Very high | 80 Ų | 80 | 60.5 Ų | 60.5 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 143.7 | 171.7 | 28 | -34.2 | 0 | 0 | 0 | 110.5 | A23 C36 | P21-A23 PolarHBondContact O-N 3.25Å; P21-C36 WeakPolarHBondContact O-CA 3.44Å; P21-C36 VanDerWaalsContact O-CB 3.27Å; P21-C36 WeakPolarHBondContact O-CB 3.31Å |
| 22 | A | 93.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | trans | -69.6 | 127.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R12 F34 L35 M55 | R12-A22 HydrophobicContact CB-CB 4.41Å; R12-A22 HydrophobicContact CG-CB 4.42Å; R12-A22 WeakPolarHBondContact O-CB 3.34Å; R12-A22 PolarHBondContact O-N 2.89Å; A22-F34 HydrophobicContact CB-CB 3.86Å; A22-L35 CarbonylContact C-O 3.56Å; A22-L35 WeakPolarHBondContact CA-O 3.42Å; A22-M55 HydrophobicContact CB-CG 4.49Å | ||
| 23 | A | 93.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 57.2 Ų | 57.2 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | trans | -106.1 | -25.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P21 L35 T37 M55 | P21-A23 PolarHBondContact O-N 3.25Å; A23-L35 PolarHBondContact N-O 2.72Å; A23-T37 HydrophobicContact CB-CG2 3.67Å; A23-M55 VanDerWaalsContact C-CG 3.44Å; A23-M55 WeakPolarHBondContact O-CG 3.4Å; A23-M55 PolarHBondContact O-N 3.14Å | ||
| 24 | V | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.7 | -173.2 | 179.2 | 0 | 0 | 0 | 0 | 110 | L35 D40 R52 V53 W54 I101 | V24-L35 PolarHBondContact N-O 3.15Å; V24-L35 PolarHBondContact O-N 2.74Å; V24-D40 HydrophobicContact CB-CB 4.49Å; V24-D40 HydrophobicContact CG2-CB 4.45Å; V24-R52 HydrophobicContact CG1-CB 3.7Å; V24-R52 HydrophobicContact CG1-CG 4.31Å; V24-V53 WeakPolarHBondContact CA-O 3.37Å; V24-W54 HydrophobicContact CG2-CE3 4Å; V24-W54 HydrophobicContact CG2-CZ3 3.98Å; V24-I101 HydrophobicContact CG1-CD1 3.81Å; V24-I101 HydrophobicContact CG2-CD1 3.88Å |
| 25 | H | 95.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.5 | 168.2 | 174.3 | -96.7 | 0 | 0 | 0 | 109.8 | S33 F34 R52 V53 M55 P63 | H25-S33 CarbonylContact C-O 3.58Å; H25-S33 WeakPolarHBondContact CA-O 3.03Å; H25-F34 HydrophobicContact CB-CD1 4Å; H25-F34 HydrophobicContact CB-CE1 3.98Å; H25-F34 AromaticContact CD2-CD1 3.71Å; H25-F34 AromaticContact CD2-CE1 3.38Å; H25-F34 WeakPolarHBondContact CD2-CE1 3Å; H25-F34 AromaticContact CD2-CE2 3.83Å; H25-F34 AromaticContact CD2-CZ 3.45Å; H25-F34 VanDerWaalsContact CD2-CZ 3.45Å; H25-F34 WeakPolarHBondContact CD2-CZ 3.29Å; H25-F34 AromaticContact CG-CE1 3.94Å; H25-R52 WeakPolarHBondContact O-CA 3.5Å; H25-V53 PolarHBondContact N-O 3.04Å; H25-V53 PolarHBondContact O-N 2.69Å; H25-M55 HydrophobicContact CB-SD 4.04Å; H25-P63 HydrophobicContact CB-CB 3.96Å |
| 26 | C | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 110.4 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | C29 G32 S33 L35 H50 R52 | C26-C29 HydrophobicContact CB-CB 4.45Å; C26-C29 PolarHBondContact SG-SG 3.21Å; C26-G32 WeakPolarHBondContact O-CA 3.17Å; C26-S33 WeakPolarHBondContact CB-OG 3.38Å; C26-S33 PolarHBondContact N-O 3.22Å; C26-S33 PolarHBondContact O-N 3.44Å; C26-S33 VanDerWaalsContact O-N 3.1Å; C26-L35 HydrophobicContact CB-CD1 4.13Å; C26-H50 VanDerWaalsContact SG-CB 3.58Å; C26-H50 PolarHBondContact SG-ND1 3Å; C26-R52 HydrophobicContact CB-CG 4.14Å |
| 27 | R | 92 | Very high | 91.6 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -74.1 | -28.5 | -175.4 | -68.4 | 177 | 174.5 | -180 | -2.2 | 113.3 | E51 | R27-E51 HydrophobicContact CB-CB 4.49Å; R27-E51 VanDerWaalsContact CD-OE1 3.3Å; R27-E51 WeakPolarHBondContact CD-OE1 3.45Å; R27-E51 IonicContact CZ-OE1 3.46Å; R27-E51 PolarHBondContact N-O 3.45Å; R27-E51 IonicContact NE-OE1 3.44Å; R27-E51 IonicContact NH1-OE1 3.08Å; R27-E51 PolarHBondContact NH1-OE1 2.89Å |
| 28 | T | 91.1 | Very high | 91.6 | Very high | 71 Ų | 71 | 53 Ų | 53 | 44% | 0.436 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -85.1 | -14.8 | -175.8 | 53.9 | 0 | 0 | 0 | 0 | 114 | H50 E51 | T28-H50 VanDerWaalsContact OG1-CA 3.29Å; T28-H50 WeakPolarHBondContact OG1-CA 3.38Å; T28-H50 WeakPolarHBondContact OG1-CB 3.45Å; T28-H50 PolarHBondContact OG1-CD2 3.3Å; T28-H50 PolarHBondContact OG1-ND1 3.27Å; T28-H50 VanDerWaalsContact OG1-ND1 3.16Å; T28-E51 HydrophobicContact CG2-CB 3.89Å |
| 29 | C | 89.4 | Confident | 91.7 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -68.6 | 147.1 | 173.1 | -77.9 | 0 | 0 | 0 | 0 | 109.9 | C26 G31 G32 S33 H45 | C26-C29 HydrophobicContact CB-CB 4.45Å; C26-C29 PolarHBondContact SG-SG 3.21Å; C29-G31 PolarHBondContact O-N 3.28Å; C29-G32 PolarHBondContact O-N 3.39Å; C29-S33 WeakPolarHBondContact CB-OG 3.42Å; C29-S33 PolarHBondContact SG-OG 3.2Å; C29-S33 VanDerWaalsContact SG-OG 3.39Å; C29-H45 PolarHBondContact SG-CE1 3.39Å; C29-H45 PolarHBondContact SG-ND1 3.2Å; C29-H45 VanDerWaalsContact SG-ND1 3.42Å |
| 30 | V | 85.5 | Confident | 91.9 | Very high | 157 Ų | 157 | 43.3 Ų | 43.3 | 95% | 0.952 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 114 | 177.7 | -178 | 0 | 0 | 0 | 0 | 109.6 | G32 | V30-G32 VanDerWaalsContact C-N 3.35Š|
| 31 | G | 84.5 | Confident | 91.8 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 88% | 0.876 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 2.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | C29 | C29-G31 PolarHBondContact O-N 3.28Š|
| 32 | G | 90.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | trans | 73.5 | 109.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C26 C29 V30 | C26-G32 WeakPolarHBondContact O-CA 3.17Å; C29-G32 PolarHBondContact O-N 3.39Å; V30-G32 VanDerWaalsContact C-N 3.35Å | ||
| 33 | S | 93.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.6 | -177.5 | 69 | 0 | 0 | 0 | 0 | 111.8 | H25 C26 C29 | H25-S33 CarbonylContact C-O 3.58Å; H25-S33 WeakPolarHBondContact CA-O 3.03Å; C26-S33 WeakPolarHBondContact CB-OG 3.38Å; C26-S33 PolarHBondContact N-O 3.22Å; C26-S33 PolarHBondContact O-N 3.44Å; C26-S33 VanDerWaalsContact O-N 3.1Å; C29-S33 WeakPolarHBondContact CB-OG 3.42Å; C29-S33 PolarHBondContact SG-OG 3.2Å; C29-S33 VanDerWaalsContact SG-OG 3.39Å |
| 34 | F | 94.9 | Very high | 90.2 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122 | 176.8 | -67.1 | -87 | 0 | 0 | 0 | 109.9 | R12 C14 G15 A22 H25 M55 | R12-F34 HydrophobicContact CG-CB 4.34Å; R12-F34 HydrophobicContact CG-CD1 4.5Å; R12-F34 HydrophobicContact CG-CG 4.27Å; C14-F34 CarbonylContact C-O 3.51Å; C14-F34 WeakPolarHBondContact CA-O 3.4Å; G15-F34 PolarHBondContact N-O 3.24Å; A22-F34 HydrophobicContact CB-CB 3.86Å; H25-F34 HydrophobicContact CB-CD1 4Å; H25-F34 HydrophobicContact CB-CE1 3.98Å; H25-F34 AromaticContact CD2-CD1 3.71Å; H25-F34 AromaticContact CD2-CE1 3.38Å; H25-F34 WeakPolarHBondContact CD2-CE1 3Å; H25-F34 AromaticContact CD2-CE2 3.83Å; H25-F34 AromaticContact CD2-CZ 3.45Å; H25-F34 VanDerWaalsContact CD2-CZ 3.45Å; H25-F34 WeakPolarHBondContact CD2-CZ 3.29Å; H25-F34 AromaticContact CG-CE1 3.94Å; F34-M55 HydrophobicContact CD1-CE 3.78Å; F34-M55 HydrophobicContact CD1-SD 3.5Å; F34-M55 WeakPolarHBondContact CD1-SD 3.33Å; F34-M55 HydrophobicContact CE1-CE 3.73Å; F34-M55 HydrophobicContact CE1-SD 3.59Å; F34-M55 VanDerWaalsContact CE1-SD 3.59Å |
| 35 | L | 93.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.9 | -167.5 | -56.6 | 172.9 | 0 | 0 | 0 | 110.1 | A22 A23 V24 C26 C39 D40 H45 | A22-L35 CarbonylContact C-O 3.56Å; A22-L35 WeakPolarHBondContact CA-O 3.42Å; A23-L35 PolarHBondContact N-O 2.72Å; V24-L35 PolarHBondContact N-O 3.15Å; V24-L35 PolarHBondContact O-N 2.74Å; C26-L35 HydrophobicContact CB-CD1 4.13Å; L35-C39 HydrophobicContact CB-CB 4.43Å; L35-C39 HydrophobicContact CD2-CB 4.21Å; L35-D40 HydrophobicContact CB-CB 4.16Å; L35-D40 HydrophobicContact CD1-CB 4.5Å; L35-H45 HydrophobicContact CD1-CB 4.04Å; L35-H45 WeakPolarHBondContact CD1-CD2 3.45Å |
| 36 | C | 94.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | trans | -73 | 166.4 | 162 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | C14 A20 P21 T38 C39 D40 | C14-C36 HydrophobicContact CB-CB 3.84Å; C14-C36 PolarHBondContact SG-N 3.45Å; C14-C36 VanDerWaalsContact SG-SG 3.7Å; A20-C36 HydrophobicContact CB-CB 3.52Å; P21-C36 WeakPolarHBondContact O-CA 3.44Å; P21-C36 VanDerWaalsContact O-CB 3.27Å; P21-C36 WeakPolarHBondContact O-CB 3.31Å; C36-T38 PolarHBondContact O-N 3.16Å; C36-T38 VanDerWaalsContact O-N 3.15Å; C36-T38 PolarHBondContact SG-OG1 3.15Å; C36-C39 PolarHBondContact O-N 3.18Å; C36-C39 VanDerWaalsContact O-N 3.16Å; C36-C39 PolarHBondContact SG-N 2.9Å; C36-C39 VanDerWaalsContact SG-SG 3.65Å; C36-D40 WeakPolarHBondContact O-CB 3.45Å; C36-D40 PolarHBondContact O-N 2.99Å | ||
| 37 | T | 91.8 | Very high | 86.8 | Confident | 92 Ų | 92 | 64 Ų | 64 | 56% | 0.564 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56 | -32.7 | -179.4 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | A23 A41 | A23-T37 HydrophobicContact CB-CG2 3.67Å; T37-A41 WeakPolarHBondContact O-CB 3.19Å; T37-A41 PolarHBondContact O-N 2.85Å |
| 38 | T | 93.2 | Very high | 85.9 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -77.6 | -37.7 | 179.7 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | C36 | C36-T38 PolarHBondContact O-N 3.16Å; C36-T38 VanDerWaalsContact O-N 3.15Å; C36-T38 PolarHBondContact SG-OG1 3.15Å |
| 39 | C | 92.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -74.8 | -32.4 | 174.6 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | L35 C36 R42 H45 | L35-C39 HydrophobicContact CB-CB 4.43Å; L35-C39 HydrophobicContact CD2-CB 4.21Å; C36-C39 PolarHBondContact O-N 3.18Å; C36-C39 VanDerWaalsContact O-N 3.16Å; C36-C39 PolarHBondContact SG-N 2.9Å; C36-C39 VanDerWaalsContact SG-SG 3.65Å; C39-R42 VanDerWaalsContact O-CB 3.31Å; C39-R42 WeakPolarHBondContact O-CB 3.31Å; C39-R42 PolarHBondContact O-N 3.31Å; C39-H45 PolarHBondContact O-CD2 3.36Å |
| 40 | D | 91.7 | Very high | 85.5 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 173.5 | -174.8 | 57.5 | 0 | 0 | 0 | 112.3 | V24 L35 C36 R42 R52 | V24-D40 HydrophobicContact CB-CB 4.49Å; V24-D40 HydrophobicContact CG2-CB 4.45Å; L35-D40 HydrophobicContact CB-CB 4.16Å; L35-D40 HydrophobicContact CD1-CB 4.5Å; C36-D40 WeakPolarHBondContact O-CB 3.45Å; C36-D40 PolarHBondContact O-N 2.99Å; D40-R42 PolarHBondContact O-N 3.42Å; D40-R42 VanDerWaalsContact O-N 3.14Å; D40-R52 WeakPolarHBondContact OD1-CD 3.44Å; D40-R52 IonicContact OD1-NE 3.36Å; D40-R52 PolarHBondContact OD1-NE 3.4Å; D40-R52 IonicContact OD2-NE 3.99Å |
| 41 | A | 87.6 | Confident | 85.7 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T37 | T37-A41 WeakPolarHBondContact O-CB 3.19Å; T37-A41 PolarHBondContact O-N 2.85Å |
| 42 | R | 86.4 | Confident | 86.1 | Confident | 125 Ų | 125 | 57.8 Ų | 57.8 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -66.1 | 144.2 | 175.5 | -66.9 | 179.2 | -179.3 | -179.4 | -1.3 | 109.6 | S16 C39 D40 A44 H45 A46 | S16-R42 PolarHBondContact OG-NH1 2.92Å; C39-R42 VanDerWaalsContact O-CB 3.31Å; C39-R42 WeakPolarHBondContact O-CB 3.31Å; C39-R42 PolarHBondContact O-N 3.31Å; D40-R42 PolarHBondContact O-N 3.42Å; D40-R42 VanDerWaalsContact O-N 3.14Å; R42-A44 PolarHBondContact O-N 3.16Å; R42-H45 PolarHBondContact O-N 3.35Å; R42-A46 PolarHBondContact O-N 3.39Å |
| 43 | P | 79.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 57 Ų | 57 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.1 | -26.8 | -174.6 | 20.4 | -32.1 | 0 | 0 | 0 | 113.5 | H45 R47 | P43-H45 PolarHBondContact O-N 3.42Å; P43-R47 HydrophobicContact CB-CG 4.14Å; P43-R47 VanDerWaalsContact O-CB 3.31Å; P43-R47 WeakPolarHBondContact O-CB 3.39Å; P43-R47 PolarHBondContact O-N 3.33Å |
| 44 | A | 79.1 | Confident | 86.4 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.8 | -27.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R42 L48 | R42-A44 PolarHBondContact O-N 3.16Å; A44-L48 WeakPolarHBondContact O-CD1 3.27Å; A44-L48 WeakPolarHBondContact O-CG 3.12Å |
| 45 | H | 77.2 | Confident | 86.4 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -110.8 | -44.6 | -178.8 | -57.5 | -68.9 | 0 | 0 | 0 | 111.4 | C29 L35 C39 R42 P43 H50 R52 | C29-H45 PolarHBondContact SG-CE1 3.39Å; C29-H45 PolarHBondContact SG-ND1 3.2Å; C29-H45 VanDerWaalsContact SG-ND1 3.42Å; L35-H45 HydrophobicContact CD1-CB 4.04Å; L35-H45 WeakPolarHBondContact CD1-CD2 3.45Å; C39-H45 PolarHBondContact O-CD2 3.36Å; R42-H45 PolarHBondContact O-N 3.35Å; P43-H45 PolarHBondContact O-N 3.42Å; H45-H50 AromaticContact ND1-ND1 3.89Å; H45-R52 PolarHBondContact O-NH1 2.94Å |
| 46 | A | 70.4 | Confident | 86.5 | Confident | 45 Ų | 45 | 60 Ų | 60 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.7 | -36.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R42 | R42-A46 PolarHBondContact O-N 3.39Å |
| 47 | R | 65.8 | Low | 86.5 | Confident | 212 Ų | 212 | 64.3 Ų | 64.3 | 80% | 0.8 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -21.7 | -173.9 | -60.4 | -173.7 | 180 | -174.2 | -3.2 | 114.3 | P43 G49 | P43-R47 HydrophobicContact CB-CG 4.14Å; P43-R47 VanDerWaalsContact O-CB 3.31Å; P43-R47 WeakPolarHBondContact O-CB 3.39Å; P43-R47 PolarHBondContact O-N 3.33Å; R47-G49 PolarHBondContact O-N 3.15Å |
| 48 | L | 72.6 | Confident | 86.4 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 60% | 0.602 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 10.9 | -178.2 | -61.9 | -171.8 | 0 | 0 | 0 | 113.6 | A44 H50 | A44-L48 WeakPolarHBondContact O-CD1 3.27Å; A44-L48 WeakPolarHBondContact O-CG 3.12Å; L48-H50 PolarHBondContact O-CD2 3.01Å; L48-H50 PolarHBondContact O-N 3.16Å |
| 49 | G | 80.5 | Confident | 86.4 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 71% | 0.711 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 24 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R47 E51 | R47-G49 PolarHBondContact O-N 3.15Å; G49-E51 PolarHBondContact O-N 2.66Å |
| 50 | H | 90.5 | Very high | 86.4 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 18% | 0.181 | 32% | 0.32 | C | S | . | . | trans | -64.4 | 134 | 179.8 | -78.7 | -157.2 | 0 | 0 | 0 | 110.6 | C26 T28 H45 L48 R52 | C26-H50 VanDerWaalsContact SG-CB 3.58Å; C26-H50 PolarHBondContact SG-ND1 3Å; T28-H50 VanDerWaalsContact OG1-CA 3.29Å; T28-H50 WeakPolarHBondContact OG1-CA 3.38Å; T28-H50 WeakPolarHBondContact OG1-CB 3.45Å; T28-H50 PolarHBondContact OG1-CD2 3.3Å; T28-H50 PolarHBondContact OG1-ND1 3.27Å; T28-H50 VanDerWaalsContact OG1-ND1 3.16Å; H45-H50 AromaticContact ND1-ND1 3.89Å; L48-H50 PolarHBondContact O-CD2 3.01Å; L48-H50 PolarHBondContact O-N 3.16Å; H50-R52 HydrophobicContact CB-CG 4.3Å; H50-R52 WeakPolarHBondContact O-CG 3.43Å; H50-R52 PolarHBondContact O-N 3.36Å; H50-R52 PolarHBondContact O-NH1 3.35Å | ||
| 51 | E | 91 | Very high | 86.4 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 34% | 0.341 | 33% | 0.334 | S | S | . | . | trans | -72 | 117.7 | 173.7 | -167.5 | -166.3 | 150 | 0 | 0 | 109.3 | R27 T28 G49 P100 | R27-E51 HydrophobicContact CB-CB 4.49Å; R27-E51 VanDerWaalsContact CD-OE1 3.3Å; R27-E51 WeakPolarHBondContact CD-OE1 3.45Å; R27-E51 IonicContact CZ-OE1 3.46Å; R27-E51 PolarHBondContact N-O 3.45Å; R27-E51 IonicContact NE-OE1 3.44Å; R27-E51 IonicContact NH1-OE1 3.08Å; R27-E51 PolarHBondContact NH1-OE1 2.89Å; T28-E51 HydrophobicContact CG2-CB 3.89Å; G49-E51 PolarHBondContact O-N 2.66Å; E51-P100 HydrophobicContact CG-CB 3.58Å; E51-P100 HydrophobicContact CG-CG 3.68Å | ||
| 52 | R | 92.5 | Very high | 86.8 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.2 | -173.5 | -62.9 | -175.7 | -39.2 | -76.1 | 4.4 | 109.7 | V24 H25 C26 D40 H45 H50 P100 I101 | V24-R52 HydrophobicContact CG1-CB 3.7Å; V24-R52 HydrophobicContact CG1-CG 4.31Å; H25-R52 WeakPolarHBondContact O-CA 3.5Å; C26-R52 HydrophobicContact CB-CG 4.14Å; D40-R52 WeakPolarHBondContact OD1-CD 3.44Å; D40-R52 IonicContact OD1-NE 3.36Å; D40-R52 PolarHBondContact OD1-NE 3.4Å; D40-R52 IonicContact OD2-NE 3.99Å; H45-R52 PolarHBondContact O-NH1 2.94Å; H50-R52 HydrophobicContact CB-CG 4.3Å; H50-R52 WeakPolarHBondContact O-CG 3.43Å; H50-R52 PolarHBondContact O-N 3.36Å; H50-R52 PolarHBondContact O-NH1 3.35Å; R52-P100 CarbonylContact O-C 3.59Å; R52-P100 WeakPolarHBondContact O-CA 3.44Å; R52-I101 HydrophobicContact CB-CB 4.21Å; R52-I101 HydrophobicContact CB-CD1 4.15Å; R52-I101 WeakPolarHBondContact O-CG1 2.81Å; R52-I101 PolarHBondContact O-N 3.18Å |
| 53 | V | 94.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.8 | -179 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | V24 H25 A64 V98 | V24-V53 WeakPolarHBondContact CA-O 3.37Å; H25-V53 PolarHBondContact N-O 3.04Å; H25-V53 PolarHBondContact O-N 2.69Å; V53-A64 HydrophobicContact CG1-CB 4.4Å; V53-A64 VanDerWaalsContact CG1-O 3.27Å; V53-A64 WeakPolarHBondContact CG1-O 3.35Å; V53-V98 HydrophobicContact CG1-CB 4.36Å; V53-V98 HydrophobicContact CG1-CG1 3.71Å |
| 54 | W | 95.3 | Very high | 88.1 | Confident | 119 Ų | 119 | 53.1 Ų | 53.1 | 45% | 0.451 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 153.6 | 177.2 | -62.8 | 108.4 | 0 | 0 | 0 | 112.3 | V24 A64 V74 I101 | V24-W54 HydrophobicContact CG2-CE3 4Å; V24-W54 HydrophobicContact CG2-CZ3 3.98Å; W54-A64 HydrophobicContact CB-CB 4.47Å; W54-A64 VanDerWaalsContact O-CB 3.27Å; W54-A64 WeakPolarHBondContact O-CB 3.49Å; W54-A64 PolarHBondContact O-N 2.8Å; W54-V74 HydrophobicContact CB-CG2 3.81Å; W54-V74 HydrophobicContact CG-CG2 4.49Å; W54-I101 HydrophobicContact CD2-CD1 3.8Å; W54-I101 HydrophobicContact CD2-CG1 4.33Å; W54-I101 HydrophobicContact CE3-CD1 4.23Å; W54-I101 HydrophobicContact CG-CD1 4.18Å; W54-I101 HydrophobicContact CG-CG1 4.45Å; W54-I101 HydrophobicContact CH2-CD1 4.43Å; W54-I101 HydrophobicContact CZ2-CD1 4.03Å; W54-I101 HydrophobicContact CZ2-CG1 4.27Å |
| 55 | M | 95.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -78.7 | 150.6 | 168.5 | -67.3 | -64.1 | -69.9 | 0 | 0 | 110.7 | R12 A22 A23 H25 F34 E57 L61 | R12-M55 HydrophobicContact CB-CE 4.33Å; A22-M55 HydrophobicContact CB-CG 4.49Å; A23-M55 VanDerWaalsContact C-CG 3.44Å; A23-M55 WeakPolarHBondContact O-CG 3.4Å; A23-M55 PolarHBondContact O-N 3.14Å; H25-M55 HydrophobicContact CB-SD 4.04Å; F34-M55 HydrophobicContact CD1-CE 3.78Å; F34-M55 HydrophobicContact CD1-SD 3.5Å; F34-M55 WeakPolarHBondContact CD1-SD 3.33Å; F34-M55 HydrophobicContact CE1-CE 3.73Å; F34-M55 HydrophobicContact CE1-SD 3.59Å; F34-M55 VanDerWaalsContact CE1-SD 3.59Å; M55-E57 PolarHBondContact O-N 3.2Å; M55-L61 VanDerWaalsContact CE-C 3.47Å |
| 56 | C | 95.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 126.3 | 173.8 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | V58 C59 E60 A62 C76 C79 | C56-V58 PolarHBondContact O-N 2.87Å; C56-C59 VanDerWaalsContact SG-SG 3.61Å; C56-E60 WeakPolarHBondContact O-CA 3.35Å; C56-E60 PolarHBondContact O-N 3.26Å; C56-A62 WeakPolarHBondContact CB-O 3.45Å; C56-A62 PolarHBondContact N-O 3.47Å; C56-C76 HydrophobicContact CB-CB 3.79Å; C56-C76 PolarHBondContact SG-N 2.88Å; C56-C76 VanDerWaalsContact SG-SG 3.69Å; C56-C79 VanDerWaalsContact SG-SG 3.68Å |
| 57 | E | 92.6 | Very high | 91 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 43% | 0.425 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.7 | -177.4 | -67.9 | 179.6 | -175.6 | 0 | 0 | 113.8 | M55 V74 | M55-E57 PolarHBondContact O-N 3.2Å; E57-V74 HydrophobicContact CG-CG2 3.82Å; E57-V74 PolarHBondContact N-O 3.15Å |
| 58 | V | 91.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -61.2 | -176.7 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | C56 L75 C79 I83 R286 | C56-V58 PolarHBondContact O-N 2.87Å; V58-L75 HydrophobicContact CB-CD2 4.39Å; V58-L75 HydrophobicContact CG2-CD2 3.4Å; V58-L75 VanDerWaalsContact CG2-CD2 3.4Å; V58-C79 HydrophobicContact CB-CB 4.2Å; V58-C79 HydrophobicContact CG1-CB 4.44Å; V58-I83 HydrophobicContact CG2-CD1 3.8Å; V58-R286 PolarHBondContact O-NH2 3.39Å |
| 59 | C | 92.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -28.1 | -176.6 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | C56 L61 C76 | C56-C59 VanDerWaalsContact SG-SG 3.61Å; C59-L61 WeakPolarHBondContact O-CG 3.4Å; C59-L61 PolarHBondContact O-N 2.83Å; C59-L61 VanDerWaalsContact O-N 3.13Å; C59-C76 VanDerWaalsContact SG-SG 3.69Å |
| 60 | E | 93 | Very high | 93.9 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 56.3 | 19.3 | -175.1 | -57.4 | -179.8 | 168.5 | 0 | 0 | 114.6 | R12 C56 R286 | R12-E60 PolarHBondContact N-O 2.82Å; C56-E60 WeakPolarHBondContact O-CA 3.35Å; C56-E60 PolarHBondContact O-N 3.26Å; E60-R286 WeakPolarHBondContact OE1-CD 3.29Å; E60-R286 IonicContact OE1-CZ 3.61Å; E60-R286 IonicContact OE1-NE 3.82Å; E60-R286 PolarHBondContact OE1-NE 3.37Å; E60-R286 VanDerWaalsContact OE1-NE 3.08Å; E60-R286 IonicContact OE1-NH1 2.72Å; E60-R286 PolarHBondContact OE1-NH1 3.46Å; E60-R286 IonicContact OE2-CZ 3.6Å; E60-R286 IonicContact OE2-NE 2.68Å; E60-R286 IonicContact OE2-NH1 2.76Å; E60-R286 PolarHBondContact OE2-NH1 3Å; E60-R286 IonicContact OE2-NH2 3.78Å |
| 61 | L | 92.5 | Very high | 94 | Very high | 75 Ų | 75 | 40 Ų | 40 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -108.2 | -31.5 | -177 | -67.5 | 175 | 0 | 0 | 0 | 113.1 | R12 M55 C59 | R12-L61 HydrophobicContact CB-CD2 4.48Å; R12-L61 PolarHBondContact NE-O 2.99Å; M55-L61 VanDerWaalsContact CE-C 3.47Å; C59-L61 WeakPolarHBondContact O-CG 3.4Å; C59-L61 PolarHBondContact O-N 2.83Å; C59-L61 VanDerWaalsContact O-N 3.13Å |
| 62 | A | 94.5 | Very high | 94 | Very high | 32 Ų | 32 | 40 Ų | 40 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -119.2 | 151.1 | -174 | 0 | 0 | 0 | 0 | 0 | 111.1 | C56 C76 | C56-A62 WeakPolarHBondContact CB-O 3.45Å; C56-A62 PolarHBondContact N-O 3.47Å; A62-C76 HydrophobicContact CB-CB 3.79Å |
| 63 | P | 95.7 | Very high | 94 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -62.2 | 145.3 | 171 | 27.6 | -34.1 | 0 | 0 | 0 | 110.6 | H25 C76 | H25-P63 HydrophobicContact CB-CB 3.96Å; P63-C76 WeakPolarHBondContact O-CB 3.35Å |
| 64 | A | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | trans | -66.3 | 144.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V53 W54 V74 L75 V98 | V53-A64 HydrophobicContact CG1-CB 4.4Å; V53-A64 VanDerWaalsContact CG1-O 3.27Å; V53-A64 WeakPolarHBondContact CG1-O 3.35Å; W54-A64 HydrophobicContact CB-CB 4.47Å; W54-A64 VanDerWaalsContact O-CB 3.27Å; W54-A64 WeakPolarHBondContact O-CB 3.49Å; W54-A64 PolarHBondContact O-N 2.8Å; A64-V74 HydrophobicContact CB-CB 3.87Å; A64-V74 HydrophobicContact CB-CG2 4.1Å; A64-L75 WeakPolarHBondContact CA-O 3.34Å; A64-V98 HydrophobicContact CB-CG2 3.85Å | ||
| 65 | A | 96.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | trans | -122.1 | -30.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L75 P97 V98 | A65-L75 PolarHBondContact N-O 2.82Å; A65-P97 WeakPolarHBondContact O-CA 3.3Å; A65-V98 PolarHBondContact O-N 2.81Å | ||
| 66 | V | 96.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140 | -176.2 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | L75 D80 R95 V98 | V66-L75 PolarHBondContact N-O 3.13Å; V66-L75 PolarHBondContact O-N 3.08Å; V66-D80 HydrophobicContact CB-CB 4.47Å; V66-D80 HydrophobicContact CG2-CB 4.46Å; V66-R95 HydrophobicContact CG1-CB 3.68Å; V66-R95 HydrophobicContact CG1-CG 4.03Å; V66-V98 VanDerWaalsContact C-CG2 3.41Å |
| 67 | T | 95.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.8 | 164.8 | 66.1 | 0 | 0 | 0 | 0 | 108.5 | A73 V74 R95 V96 V98 M113 | T67-A73 WeakPolarHBondContact CA-O 3.3Å; T67-V74 HydrophobicContact CG2-CG1 3.81Å; T67-R95 WeakPolarHBondContact O-CA 3.38Å; T67-V96 PolarHBondContact N-O 3.41Å; T67-V96 PolarHBondContact O-N 3.01Å; T67-V96 WeakPolarHBondContact OG1-CG2 3.29Å; T67-V96 PolarHBondContact OG1-O 3.35Å; T67-V96 VanDerWaalsContact OG1-O 3.11Å; T67-V98 HydrophobicContact CG2-CB 4.16Å; T67-V98 HydrophobicContact CG2-CG1 4.41Å; T67-V98 HydrophobicContact CG2-CG2 3.51Å; T67-M113 HydrophobicContact CG2-CE 4.37Å |
| 68 | C | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114 | 172 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | D71 A72 A73 H84 H93 R95 | C68-D71 HydrophobicContact CB-CB 4.14Å; C68-D71 PolarHBondContact SG-N 3.1Å; C68-D71 VanDerWaalsContact SG-N 3.44Å; C68-D71 PolarHBondContact SG-OD2 2.81Å; C68-A72 WeakPolarHBondContact O-CA 3.29Å; C68-A72 PolarHBondContact O-N 2.75Å; C68-A73 PolarHBondContact N-O 3.01Å; C68-A73 PolarHBondContact O-N 2.87Å; C68-H84 PolarHBondContact SG-NE2 2.95Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; C68-H93 VanDerWaalsContact SG-CB 3.54Å; C68-R95 HydrophobicContact CB-CG 4.42Å |
| 69 | K | 92.3 | Very high | 94.5 | Very high | 61 Ų | 61 | 35 Ų | 35 | 27% | 0.265 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -40.5 | -178.7 | -64 | -173.3 | -172.6 | 176.2 | 0 | 111.7 | A72 A94 E119 | K69-A72 PolarHBondContact O-N 2.86Å; K69-A94 HydrophobicContact CB-CB 4.4Å; K69-A94 HydrophobicContact CD-CB 4.09Å; K69-A94 HydrophobicContact CG-CB 4.4Å; K69-A94 PolarHBondContact N-O 2.88Å; K69-E119 IonicContact NZ-OE2 3.74Å; K69-E119 PolarHBondContact NZ-OE2 2.81Å |
| 70 | A | 92.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -36.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A72 H93 | A70-A72 VanDerWaalsContact C-N 3.33Å; A70-H93 HydrophobicContact CB-CB 3.79Å; A70-H93 VanDerWaalsContact CB-CG 3.41Å |
| 71 | D | 91.7 | Very high | 94.8 | Very high | 74 Ų | 74 | 35.5 Ų | 35.5 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.8 | 176.6 | -62.2 | -51.3 | 0 | 0 | 0 | 112.7 | C68 A73 H84 H93 | C68-D71 HydrophobicContact CB-CB 4.14Å; C68-D71 PolarHBondContact SG-N 3.1Å; C68-D71 VanDerWaalsContact SG-N 3.44Å; C68-D71 PolarHBondContact SG-OD2 2.81Å; D71-A73 HydrophobicContact CB-CB 4.13Å; D71-A73 PolarHBondContact O-N 2.9Å; D71-H84 IonicContact OD2-NE2 3.41Å; D71-H93 IonicContact OD1-CE1 2.84Å; D71-H93 PolarHBondContact OD1-CE1 2.77Å; D71-H93 VanDerWaalsContact OD1-CE1 3.32Å; D71-H93 IonicContact OD1-ND1 3.11Å; D71-H93 IonicContact OD2-CE1 3.25Å; D71-H93 PolarHBondContact OD2-CE1 3.41Å; D71-H93 IonicContact OD2-ND1 2.94Å; D71-H93 PolarHBondContact OD2-ND1 3.32Å |
| 72 | A | 92.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 36.4 Ų | 36.4 | 61% | 0.612 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 42.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C68 K69 A70 | C68-A72 WeakPolarHBondContact O-CA 3.29Å; C68-A72 PolarHBondContact O-N 2.75Å; K69-A72 PolarHBondContact O-N 2.86Å; A70-A72 VanDerWaalsContact C-N 3.33Å |
| 73 | A | 92.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.2 | -169 | 0 | 0 | 0 | 0 | 0 | 112.1 | T67 C68 D71 L75 | T67-A73 WeakPolarHBondContact CA-O 3.3Å; C68-A73 PolarHBondContact N-O 3.01Å; C68-A73 PolarHBondContact O-N 2.87Å; D71-A73 HydrophobicContact CB-CB 4.13Å; D71-A73 PolarHBondContact O-N 2.9Å; A73-L75 HydrophobicContact CB-CD2 4.23Å; A73-L75 HydrophobicContact CB-CG 4.41Å |
| 74 | V | 95.2 | Very high | 94.9 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.5 | 170.1 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | W54 E57 A64 T67 | W54-V74 HydrophobicContact CB-CG2 3.81Å; W54-V74 HydrophobicContact CG-CG2 4.49Å; E57-V74 HydrophobicContact CG-CG2 3.82Å; E57-V74 PolarHBondContact N-O 3.15Å; A64-V74 HydrophobicContact CB-CB 3.87Å; A64-V74 HydrophobicContact CB-CG2 4.1Å; T67-V74 HydrophobicContact CG2-CG1 3.81Å |
| 75 | L | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145 | -168.8 | -57.2 | 179 | 0 | 0 | 0 | 111 | V58 A64 A65 V66 A73 C79 D80 I83 | V58-L75 HydrophobicContact CB-CD2 4.39Å; V58-L75 HydrophobicContact CG2-CD2 3.4Å; V58-L75 VanDerWaalsContact CG2-CD2 3.4Å; A64-L75 WeakPolarHBondContact CA-O 3.34Å; A65-L75 PolarHBondContact N-O 2.82Å; V66-L75 PolarHBondContact N-O 3.13Å; V66-L75 PolarHBondContact O-N 3.08Å; A73-L75 HydrophobicContact CB-CD2 4.23Å; A73-L75 HydrophobicContact CB-CG 4.41Å; L75-C79 HydrophobicContact CB-CB 4.48Å; L75-C79 HydrophobicContact CD2-CB 4.47Å; L75-D80 HydrophobicContact CB-CB 4.32Å; L75-I83 HydrophobicContact CD1-CD1 4.02Å; L75-I83 HydrophobicContact CD2-CD1 4.14Å |
| 76 | C | 96.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | trans | -74.3 | 162.5 | 163.3 | 69 | 0 | 0 | 0 | 0 | 110.1 | C56 C59 A62 P63 A78 C79 D80 | C56-C76 HydrophobicContact CB-CB 3.79Å; C56-C76 PolarHBondContact SG-N 2.88Å; C56-C76 VanDerWaalsContact SG-SG 3.69Å; C59-C76 VanDerWaalsContact SG-SG 3.69Å; A62-C76 HydrophobicContact CB-CB 3.79Å; P63-C76 WeakPolarHBondContact O-CB 3.35Å; C76-A78 VanDerWaalsContact C-N 3.27Å; C76-A78 PolarHBondContact O-N 2.97Å; C76-C79 PolarHBondContact O-N 3.02Å; C76-C79 VanDerWaalsContact O-N 3.17Å; C76-D80 WeakPolarHBondContact O-CB 3.4Å; C76-D80 PolarHBondContact O-N 2.86Å | ||
| 77 | A | 96.3 | Very high | 94.1 | Very high | 67 Ų | 67 | 44 Ų | 44 | 55% | 0.554 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -54.8 | -38.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D80 S81 | A77-D80 PolarHBondContact O-N 3.39Å; A77-S81 PolarHBondContact O-N 3.3Å; A77-S81 VanDerWaalsContact O-N 3.1Å; A77-S81 PolarHBondContact O-OG 3.21Å |
| 78 | A | 95.9 | Very high | 94 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | C76 D80 S81 D82 | C76-A78 VanDerWaalsContact C-N 3.27Å; C76-A78 PolarHBondContact O-N 2.97Å; A78-D80 VanDerWaalsContact C-N 3.29Å; A78-D80 PolarHBondContact O-N 3.02Å; A78-S81 PolarHBondContact O-N 3.4Å; A78-S81 PolarHBondContact O-OG 2.72Å; A78-D82 WeakPolarHBondContact O-CB 3.5Å; A78-D82 PolarHBondContact O-N 2.92Å |
| 79 | C | 95.1 | Very high | 93.9 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.081 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | C56 V58 L75 C76 I83 | C56-C79 VanDerWaalsContact SG-SG 3.68Å; V58-C79 HydrophobicContact CB-CB 4.2Å; V58-C79 HydrophobicContact CG1-CB 4.44Å; L75-C79 HydrophobicContact CB-CB 4.48Å; L75-C79 HydrophobicContact CD2-CB 4.47Å; C76-C79 PolarHBondContact O-N 3.02Å; C76-C79 VanDerWaalsContact O-N 3.17Å; C79-I83 VanDerWaalsContact O-CB 3.31Å; C79-I83 WeakPolarHBondContact O-CB 3.38Å; C79-I83 WeakPolarHBondContact O-CD1 3.27Å; C79-I83 VanDerWaalsContact O-CG1 3.24Å; C79-I83 WeakPolarHBondContact O-CG1 3.4Å; C79-I83 PolarHBondContact O-N 3.43Å |
| 80 | D | 96.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 10% | 0.096 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -50.6 | 174.3 | -175.8 | 66.3 | 0 | 0 | 0 | 111.5 | V66 L75 C76 A77 A78 H84 R95 | V66-D80 HydrophobicContact CB-CB 4.47Å; V66-D80 HydrophobicContact CG2-CB 4.46Å; L75-D80 HydrophobicContact CB-CB 4.32Å; C76-D80 WeakPolarHBondContact O-CB 3.4Å; C76-D80 PolarHBondContact O-N 2.86Å; A77-D80 PolarHBondContact O-N 3.39Å; A78-D80 VanDerWaalsContact C-N 3.29Å; A78-D80 PolarHBondContact O-N 3.02Å; D80-H84 VanDerWaalsContact O-CB 3.27Å; D80-H84 WeakPolarHBondContact O-CB 3.27Å; D80-H84 PolarHBondContact O-N 2.94Å; D80-H84 PolarHBondContact O-ND1 2.57Å; D80-H84 IonicContact OD1-CE1 2.89Å; D80-H84 PolarHBondContact OD1-CE1 3.39Å; D80-H84 VanDerWaalsContact OD1-CE1 3.25Å; D80-H84 IonicContact OD1-CG 2.68Å; D80-H84 IonicContact OD1-ND1 2.57Å; D80-H84 PolarHBondContact OD1-ND1 2.68Å; D80-R95 WeakPolarHBondContact OD1-CD 3.42Å; D80-R95 IonicContact OD1-NH1 2.89Å; D80-R95 IonicContact OD2-CZ 3.2Å; D80-R95 IonicContact OD2-NH1 3.77Å; D80-R95 PolarHBondContact OD2-NH1 3.25Å |
| 81 | S | 95.5 | Very high | 94 | Very high | 44 Ų | 44 | 55 Ų | 55 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | A77 A78 I83 H84 D85 | A77-S81 PolarHBondContact O-N 3.3Å; A77-S81 VanDerWaalsContact O-N 3.1Å; A77-S81 PolarHBondContact O-OG 3.21Å; A78-S81 PolarHBondContact O-N 3.4Å; A78-S81 PolarHBondContact O-OG 2.72Å; S81-I83 VanDerWaalsContact C-N 3.31Å; S81-I83 PolarHBondContact O-N 3.25Å; S81-H84 PolarHBondContact O-N 3.11Å; S81-D85 WeakPolarHBondContact O-CB 3.39Å; S81-D85 PolarHBondContact O-N 2.69Å |
| 82 | D | 94.8 | Very high | 94.1 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | -176.8 | -71.7 | -12.5 | 0 | 0 | 0 | 112.5 | A78 A86 | A78-D82 WeakPolarHBondContact O-CB 3.5Å; A78-D82 PolarHBondContact O-N 2.92Å; D82-A86 VanDerWaalsContact O-CB 3.23Å; D82-A86 WeakPolarHBondContact O-CB 3.45Å |
| 83 | I | 93.7 | Very high | 94.3 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -80 | -48.6 | -179.8 | -69.1 | 168.8 | 0 | 0 | 0 | 110.7 | V58 L75 C79 S81 | V58-I83 HydrophobicContact CG2-CD1 3.8Å; L75-I83 HydrophobicContact CD1-CD1 4.02Å; L75-I83 HydrophobicContact CD2-CD1 4.14Å; C79-I83 VanDerWaalsContact O-CB 3.31Å; C79-I83 WeakPolarHBondContact O-CB 3.38Å; C79-I83 WeakPolarHBondContact O-CD1 3.27Å; C79-I83 VanDerWaalsContact O-CG1 3.24Å; C79-I83 WeakPolarHBondContact O-CG1 3.4Å; C79-I83 PolarHBondContact O-N 3.43Å; S81-I83 VanDerWaalsContact C-N 3.31Å; S81-I83 PolarHBondContact O-N 3.25Å |
| 84 | H | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -78.7 | -36.7 | -171.1 | -65.1 | 82.1 | 0 | 0 | 0 | 111.3 | C68 D71 D80 S81 A86 A90 R91 | C68-H84 PolarHBondContact SG-NE2 2.95Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; D71-H84 IonicContact OD2-NE2 3.41Å; D80-H84 VanDerWaalsContact O-CB 3.27Å; D80-H84 WeakPolarHBondContact O-CB 3.27Å; D80-H84 PolarHBondContact O-N 2.94Å; D80-H84 PolarHBondContact O-ND1 2.57Å; D80-H84 IonicContact OD1-CE1 2.89Å; D80-H84 PolarHBondContact OD1-CE1 3.39Å; D80-H84 VanDerWaalsContact OD1-CE1 3.25Å; D80-H84 IonicContact OD1-CG 2.68Å; D80-H84 IonicContact OD1-ND1 2.57Å; D80-H84 PolarHBondContact OD1-ND1 2.68Å; S81-H84 PolarHBondContact O-N 3.11Å; H84-A86 VanDerWaalsContact C-N 3.35Å; H84-A86 PolarHBondContact O-N 3.02Å; H84-A90 PolarHBondContact CD2-O 3.05Å; H84-R91 WeakPolarHBondContact O-CG 3.45Å; H84-R91 PolarHBondContact O-N 2.81Å |
| 85 | D | 93.5 | Very high | 94.3 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 47% | 0.465 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75 | -22.1 | 178.1 | -68.2 | -42.3 | 0 | 0 | 0 | 113.9 | S81 N87 R91 | S81-D85 WeakPolarHBondContact O-CB 3.39Å; S81-D85 PolarHBondContact O-N 2.69Å; D85-N87 VanDerWaalsContact C-N 3.28Å; D85-N87 PolarHBondContact O-N 2.83Å; D85-R91 IonicContact OD1-CZ 2.69Å; D85-R91 IonicContact OD1-NE 2.77Å; D85-R91 PolarHBondContact OD1-NE 2.76Å; D85-R91 IonicContact OD1-NH2 3.75Å; D85-R91 PolarHBondContact OD1-NH2 3.11Å |
| 86 | A | 91.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 71% | 0.711 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -22.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D82 H84 | D82-A86 VanDerWaalsContact O-CB 3.23Å; D82-A86 WeakPolarHBondContact O-CB 3.45Å; H84-A86 VanDerWaalsContact C-N 3.35Å; H84-A86 PolarHBondContact O-N 3.02Å |
| 87 | N | 88.2 | Confident | 94.2 | Very high | 72 Ų | 72 | 72.4 Ų | 72.4 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | trans | -139.4 | 121.1 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | D85 L89 A90 R91 | D85-N87 VanDerWaalsContact C-N 3.28Å; D85-N87 PolarHBondContact O-N 2.83Å; N87-L89 PolarHBondContact O-N 2.79Å; N87-L89 PolarHBondContact OD1-N 2.93Å; N87-A90 HydrophobicContact CB-CB 4.05Å; N87-A90 WeakPolarHBondContact O-CA 3.06Å; N87-A90 WeakPolarHBondContact O-CB 3.36Å; N87-A90 PolarHBondContact O-N 3.31Å; N87-R91 PolarHBondContact O-N 3.44Å; N87-R91 VanDerWaalsContact O-N 3.08Å | ||
| 88 | P | 92.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.5 | 176.5 | -26.4 | 34.5 | 0 | 0 | 0 | 115.3 | ||
| 89 | L | 93.3 | Very high | 93.9 | Very high | 119 Ų | 119 | 68.3 Ų | 68.3 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -44.9 | 172.8 | -64.5 | 175.1 | 0 | 0 | 0 | 111.4 | N87 R91 R92 | N87-L89 PolarHBondContact O-N 2.79Å; N87-L89 PolarHBondContact OD1-N 2.93Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.4Å; L89-R92 WeakPolarHBondContact O-CB 3.25Å; L89-R92 PolarHBondContact O-N 2.9Å; L89-R92 VanDerWaalsContact O-N 3.14Å |
| 90 | A | 93.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 69.5 Ų | 69.5 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -62.1 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H84 N87 R92 H93 | H84-A90 PolarHBondContact CD2-O 3.05Å; N87-A90 HydrophobicContact CB-CB 4.05Å; N87-A90 WeakPolarHBondContact O-CA 3.06Å; N87-A90 WeakPolarHBondContact O-CB 3.36Å; N87-A90 PolarHBondContact O-N 3.31Å; A90-R92 PolarHBondContact O-N 3.37Å; A90-H93 VanDerWaalsContact O-CB 3.29Å; A90-H93 WeakPolarHBondContact O-CB 3.41Å; A90-H93 VanDerWaalsContact O-CG 3.24Å; A90-H93 PolarHBondContact O-N 2.95Å |
| 91 | R | 93.6 | Very high | 93.4 | Very high | 146 Ų | 146 | 70.1 Ų | 70.1 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -51.7 | -23.9 | 175.3 | -61.8 | -173.6 | 106 | -133.4 | 2.3 | 114.9 | H84 D85 N87 L89 | H84-R91 WeakPolarHBondContact O-CG 3.45Å; H84-R91 PolarHBondContact O-N 2.81Å; D85-R91 IonicContact OD1-CZ 2.69Å; D85-R91 IonicContact OD1-NE 2.77Å; D85-R91 PolarHBondContact OD1-NE 2.76Å; D85-R91 IonicContact OD1-NH2 3.75Å; D85-R91 PolarHBondContact OD1-NH2 3.11Å; N87-R91 PolarHBondContact O-N 3.44Å; N87-R91 VanDerWaalsContact O-N 3.08Å; L89-R91 VanDerWaalsContact C-N 3.29Å; L89-R91 PolarHBondContact O-N 3.4Å |
| 92 | R | 94.7 | Very high | 92.9 | Very high | 206 Ų | 206 | 71.8 Ų | 71.8 | 78% | 0.777 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -88.2 | -5.6 | -179.7 | -59.7 | 179.1 | -171.5 | -89.5 | 1 | 113.7 | L89 A90 | L89-R92 WeakPolarHBondContact O-CB 3.25Å; L89-R92 PolarHBondContact O-N 2.9Å; L89-R92 VanDerWaalsContact O-N 3.14Å; A90-R92 PolarHBondContact O-N 3.37Å |
| 93 | H | 94.9 | Very high | 92.5 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 25% | 0.25 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -64 | 137.8 | 176.8 | -65 | -179.5 | 0 | 0 | 0 | 110.6 | C68 A70 D71 A90 R95 | C68-H93 VanDerWaalsContact SG-CB 3.54Å; A70-H93 HydrophobicContact CB-CB 3.79Å; A70-H93 VanDerWaalsContact CB-CG 3.41Å; D71-H93 IonicContact OD1-CE1 2.84Å; D71-H93 PolarHBondContact OD1-CE1 2.77Å; D71-H93 VanDerWaalsContact OD1-CE1 3.32Å; D71-H93 IonicContact OD1-ND1 3.11Å; D71-H93 IonicContact OD2-CE1 3.25Å; D71-H93 PolarHBondContact OD2-CE1 3.41Å; D71-H93 IonicContact OD2-ND1 2.94Å; D71-H93 PolarHBondContact OD2-ND1 3.32Å; A90-H93 VanDerWaalsContact O-CB 3.29Å; A90-H93 WeakPolarHBondContact O-CB 3.41Å; A90-H93 VanDerWaalsContact O-CG 3.24Å; A90-H93 PolarHBondContact O-N 2.95Å; H93-R95 PolarHBondContact O-N 3.36Å |
| 94 | A | 93.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 74.4 Ų | 74.4 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | trans | -67.3 | 114.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | K69 | K69-A94 HydrophobicContact CB-CB 4.4Å; K69-A94 HydrophobicContact CD-CB 4.09Å; K69-A94 HydrophobicContact CG-CB 4.4Å; K69-A94 PolarHBondContact N-O 2.88Å | ||
| 95 | R | 94.7 | Very high | 91.6 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119 | -177.6 | -73.6 | -177 | -71 | 173.3 | 1.1 | 109.5 | V66 T67 C68 D80 H93 | V66-R95 HydrophobicContact CG1-CB 3.68Å; V66-R95 HydrophobicContact CG1-CG 4.03Å; T67-R95 WeakPolarHBondContact O-CA 3.38Å; C68-R95 HydrophobicContact CB-CG 4.42Å; D80-R95 WeakPolarHBondContact OD1-CD 3.42Å; D80-R95 IonicContact OD1-NH1 2.89Å; D80-R95 IonicContact OD2-CZ 3.2Å; D80-R95 IonicContact OD2-NH1 3.77Å; D80-R95 PolarHBondContact OD2-NH1 3.25Å; H93-R95 PolarHBondContact O-N 3.36Å |
| 96 | V | 94.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 74 Ų | 74 | 33% | 0.327 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.3 | 179.8 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | T67 | T67-V96 PolarHBondContact N-O 3.41Å; T67-V96 PolarHBondContact O-N 3.01Å; T67-V96 WeakPolarHBondContact OG1-CG2 3.29Å; T67-V96 PolarHBondContact OG1-O 3.35Å; T67-V96 VanDerWaalsContact OG1-O 3.11Å |
| 97 | P | 95.8 | Very high | 90.6 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 73% | 0.727 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 144.1 | 177.4 | -26 | 34.8 | 0 | 0 | 0 | 112.7 | A65 A99 | A65-P97 WeakPolarHBondContact O-CA 3.3Å; P97-A99 PolarHBondContact O-N 3.32Å |
| 98 | V | 94.2 | Very high | 90.3 | Very high | 18 Ų | 18 | 71.9 Ų | 71.9 | 11% | 0.109 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 122.9 | 178 | 179.7 | 0 | 0 | 0 | 0 | 110 | V53 A64 A65 V66 T67 | V53-V98 HydrophobicContact CG1-CB 4.36Å; V53-V98 HydrophobicContact CG1-CG1 3.71Å; A64-V98 HydrophobicContact CB-CG2 3.85Å; A65-V98 PolarHBondContact O-N 2.81Å; V66-V98 VanDerWaalsContact C-CG2 3.41Å; T67-V98 HydrophobicContact CG2-CB 4.16Å; T67-V98 HydrophobicContact CG2-CG1 4.41Å; T67-V98 HydrophobicContact CG2-CG2 3.51Å |
| 99 | A | 91.7 | Very high | 89.8 | Confident | 21 Ų | 21 | 69 Ų | 69 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 143.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P97 A105 A106 | P97-A99 PolarHBondContact O-N 3.32Å; A99-A105 HydrophobicContact CB-CB 3.78Å; A99-A106 HydrophobicContact CB-CB 3.8Å |
| 100 | P | 91.7 | Very high | 89.1 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 24% | 0.24 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 142 | 175.4 | -24.9 | 34.9 | 0 | 0 | 0 | 113.1 | E51 R52 G102 S103 A106 | E51-P100 HydrophobicContact CG-CB 3.58Å; E51-P100 HydrophobicContact CG-CG 3.68Å; R52-P100 CarbonylContact O-C 3.59Å; R52-P100 WeakPolarHBondContact O-CA 3.44Å; P100-G102 PolarHBondContact O-N 2.83Å; P100-S103 VanDerWaalsContact O-CB 3.31Å; P100-S103 WeakPolarHBondContact O-CB 3.44Å; P100-S103 PolarHBondContact O-N 3.24Å; P100-S103 PolarHBondContact O-OG 2.84Å; P100-A106 WeakPolarHBondContact O-CB 3.32Å |
| 101 | I | 89.7 | Confident | 88.3 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 16% | 0.159 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 124.2 | 177.9 | -58.5 | 171 | 0 | 0 | 0 | 109.3 | V24 R52 W54 | V24-I101 HydrophobicContact CG1-CD1 3.81Å; V24-I101 HydrophobicContact CG2-CD1 3.88Å; R52-I101 HydrophobicContact CB-CB 4.21Å; R52-I101 HydrophobicContact CB-CD1 4.15Å; R52-I101 WeakPolarHBondContact O-CG1 2.81Å; R52-I101 PolarHBondContact O-N 3.18Å; W54-I101 HydrophobicContact CD2-CD1 3.8Å; W54-I101 HydrophobicContact CD2-CG1 4.33Å; W54-I101 HydrophobicContact CE3-CD1 4.23Å; W54-I101 HydrophobicContact CG-CD1 4.18Å; W54-I101 HydrophobicContact CG-CG1 4.45Å; W54-I101 HydrophobicContact CH2-CD1 4.43Å; W54-I101 HydrophobicContact CZ2-CD1 4.03Å; W54-I101 HydrophobicContact CZ2-CG1 4.27Å |
| 102 | G | 84.9 | Confident | 87.6 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -2.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P100 | P100-G102 PolarHBondContact O-N 2.83Š|
| 103 | S | 86.5 | Confident | 86.5 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -74.6 | 151.6 | 167.6 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | P100 A105 A106 A107 | P100-S103 VanDerWaalsContact O-CB 3.31Å; P100-S103 WeakPolarHBondContact O-CB 3.44Å; P100-S103 PolarHBondContact O-N 3.24Å; P100-S103 PolarHBondContact O-OG 2.84Å; S103-A105 PolarHBondContact O-N 3.18Å; S103-A106 WeakPolarHBondContact O-CB 3.42Å; S103-A106 PolarHBondContact O-N 2.67Å; S103-A106 PolarHBondContact OG-N 3.46Å; S103-A107 PolarHBondContact O-N 3.28Å; S103-A107 VanDerWaalsContact O-N 3.16Å |
| 104 | E | 84.7 | Confident | 85.7 | Confident | 176 Ų | 176 | 64.2 Ų | 64.2 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.3 | -36.7 | 172.9 | -63.8 | -179.4 | 163.2 | 0 | 0 | 111.5 | A106 A107 A108 | E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 3.08Å; E104-A107 WeakPolarHBondContact O-CB 3.14Å; E104-A107 PolarHBondContact O-N 3.13Å; E104-A107 VanDerWaalsContact O-N 3.15Å; E104-A108 PolarHBondContact O-N 3.32Å |
| 105 | A | 85.6 | Confident | 84.8 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 50% | 0.504 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -35.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A99 S103 A109 | A99-A105 HydrophobicContact CB-CB 3.78Å; S103-A105 PolarHBondContact O-N 3.18Å; A105-A109 VanDerWaalsContact O-CB 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.2Å |
| 106 | A | 82.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 68 Ų | 68 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -71.1 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A99 P100 S103 E104 A109 V110 | A99-A106 HydrophobicContact CB-CB 3.8Å; P100-A106 WeakPolarHBondContact O-CB 3.32Å; S103-A106 WeakPolarHBondContact O-CB 3.42Å; S103-A106 PolarHBondContact O-N 2.67Å; S103-A106 PolarHBondContact OG-N 3.46Å; E104-A106 VanDerWaalsContact C-N 3.29Å; E104-A106 PolarHBondContact O-N 3.08Å; A106-A109 PolarHBondContact O-N 2.87Å; A106-V110 VanDerWaalsContact O-CG2 3.29Å; A106-V110 WeakPolarHBondContact O-CG2 3.41Å; A106-V110 PolarHBondContact O-N 3.32Å |
| 107 | A | 81.2 | Confident | 81.5 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S103 E104 A109 V110 E111 | S103-A107 PolarHBondContact O-N 3.28Å; S103-A107 VanDerWaalsContact O-N 3.16Å; E104-A107 WeakPolarHBondContact O-CB 3.14Å; E104-A107 PolarHBondContact O-N 3.13Å; E104-A107 VanDerWaalsContact O-N 3.15Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 2.86Å; A107-V110 PolarHBondContact O-N 3.2Å; A107-E111 PolarHBondContact O-N 3.04Å |
| 108 | A | 82.7 | Confident | 79.2 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E104 E111 A112 | E104-A108 PolarHBondContact O-N 3.32Å; A108-E111 PolarHBondContact O-N 3Å; A108-A112 WeakPolarHBondContact O-CB 3.36Å; A108-A112 PolarHBondContact O-N 3.1Å |
| 109 | A | 80.6 | Confident | 76.9 | Confident | 32 Ų | 32 | 73.8 Ų | 73.8 | 26% | 0.264 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A105 A106 A107 A112 M113 | A105-A109 VanDerWaalsContact O-CB 3.29Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.2Å; A106-A109 PolarHBondContact O-N 2.87Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 2.86Å; A109-A112 PolarHBondContact O-N 3.36Å; A109-M113 VanDerWaalsContact O-CG 3.3Å; A109-M113 WeakPolarHBondContact O-CG 3.44Å; A109-M113 PolarHBondContact O-N 2.88Å |
| 110 | V | 78.6 | Confident | 74.4 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | A106 A107 M113 L114 | A106-V110 VanDerWaalsContact O-CG2 3.29Å; A106-V110 WeakPolarHBondContact O-CG2 3.41Å; A106-V110 PolarHBondContact O-N 3.32Å; A107-V110 PolarHBondContact O-N 3.2Å; V110-M113 PolarHBondContact O-N 2.82Å; V110-L114 HydrophobicContact CG1-CD1 3.78Å; V110-L114 HydrophobicContact CG1-CG 4.37Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 3.01Å |
| 111 | E | 78 | Confident | 71.9 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.7 | -73.8 | -169 | 166.6 | 0 | 0 | 112.1 | A107 A108 M113 L114 F115 | A107-E111 PolarHBondContact O-N 3.04Å; A108-E111 PolarHBondContact O-N 3Å; E111-M113 PolarHBondContact O-N 3.44Å; E111-L114 PolarHBondContact O-N 2.82Å; E111-L114 VanDerWaalsContact O-N 3.13Å; E111-F115 HydrophobicContact CB-CD2 4.22Å; E111-F115 HydrophobicContact CG-CD2 4.47Å; E111-F115 HydrophobicContact CG-CE2 4.47Å; E111-F115 WeakPolarHBondContact O-CB 3.46Å; E111-F115 WeakPolarHBondContact O-CD2 3.12Å; E111-F115 PolarHBondContact O-N 2.98Å |
| 112 | A | 78.5 | Confident | 69.5 | Low | 24 Ų | 24 | 84.6 Ų | 84.6 | 20% | 0.198 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -61.4 | -34 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A108 A109 G116 | A108-A112 WeakPolarHBondContact O-CB 3.36Å; A108-A112 PolarHBondContact O-N 3.1Å; A109-A112 PolarHBondContact O-N 3.36Å; A112-G116 WeakPolarHBondContact O-CA 3.47Å; A112-G116 PolarHBondContact O-N 2.98Å; A112-G116 VanDerWaalsContact O-N 3.08Å |
| 113 | M | 72.3 | Confident | 67.3 | Low | 83 Ų | 83 | 85.9 Ų | 85.9 | 41% | 0.409 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.6 | -34.4 | 174.9 | -73.2 | -178.2 | -179.3 | 0 | 0 | 113 | T67 A109 V110 E111 | T67-M113 HydrophobicContact CG2-CE 4.37Å; A109-M113 VanDerWaalsContact O-CG 3.3Å; A109-M113 WeakPolarHBondContact O-CG 3.44Å; A109-M113 PolarHBondContact O-N 2.88Å; V110-M113 PolarHBondContact O-N 2.82Å; E111-M113 PolarHBondContact O-N 3.44Å |
| 114 | L | 77.8 | Confident | 65 | Low | 126 Ų | 126 | 93.5 Ų | 93.5 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.8 | -41.5 | -178 | -71 | 171.4 | 0 | 0 | 0 | 112.9 | V110 E111 | V110-L114 HydrophobicContact CG1-CD1 3.78Å; V110-L114 HydrophobicContact CG1-CG 4.37Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 3.01Å; E111-L114 PolarHBondContact O-N 2.82Å; E111-L114 VanDerWaalsContact O-N 3.13Å |
| 115 | F | 74.2 | Confident | 62.8 | Low | 143 Ų | 143 | 89.7 Ų | 89.7 | 63% | 0.627 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -105.6 | -7.2 | -171.7 | -60.2 | -70.1 | 0 | 0 | 0 | 113.5 | E111 T117 | E111-F115 HydrophobicContact CB-CD2 4.22Å; E111-F115 HydrophobicContact CG-CD2 4.47Å; E111-F115 HydrophobicContact CG-CE2 4.47Å; E111-F115 WeakPolarHBondContact O-CB 3.46Å; E111-F115 WeakPolarHBondContact O-CD2 3.12Å; E111-F115 PolarHBondContact O-N 2.98Å; F115-T117 HydrophobicContact CB-CG2 4.34Å; F115-T117 PolarHBondContact O-N 2.79Å; F115-T117 VanDerWaalsContact O-N 3.15Å |
| 116 | G | 62.7 | Low | 60.7 | Low | 66 Ų | 66 | 94.2 Ų | 94.2 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | trans | 66.9 | 13.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | A112 G118 | A112-G116 WeakPolarHBondContact O-CA 3.47Å; A112-G116 PolarHBondContact O-N 2.98Å; A112-G116 VanDerWaalsContact O-N 3.08Å; G116-G118 VanDerWaalsContact C-N 3.32Å; G116-G118 PolarHBondContact O-N 3.2Å | ||
| 117 | T | 58.4 | Low | 59 | Low | 113 Ų | 113 | 101.3 Ų | 101.3 | 69% | 0.693 | 63% | 0.634 | S | S | * | * | trans | -88.8 | 19.7 | -171.3 | 46.7 | 0 | 0 | 0 | 0 | 114.7 | F115 | F115-T117 HydrophobicContact CB-CG2 4.34Å; F115-T117 PolarHBondContact O-N 2.79Å; F115-T117 VanDerWaalsContact O-N 3.15Å | ||
| 118 | G | 46.3 | Very low | 57.4 | Low | 41 Ų | 41 | 106.4 Ų | 106.4 | 42% | 0.423 | 65% | 0.648 | S | S | . | * | trans | -98.3 | 11.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118 | G116 | G116-G118 VanDerWaalsContact C-N 3.32Å; G116-G118 PolarHBondContact O-N 3.2Å | ||
| 119 | E | 45 | Very low | 55.3 | Low | 151 Ų | 151 | 113 Ų | 113 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -145.8 | 63.3 | -173.7 | -104.9 | 150.6 | 110.4 | 0 | 0 | 111.6 | K69 | K69-E119 IonicContact NZ-OE2 3.74Å; K69-E119 PolarHBondContact NZ-OE2 2.81Å |
| 120 | A | 40.5 | Very low | 53.3 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 87% | 0.868 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -156.3 | 17.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 121 | A | 39.1 | Very low | 51.5 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 88% | 0.876 | 71% | 0.708 | S | S | * | * | trans | -135.6 | 43.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 122 | A | 38.8 | Very low | 49.8 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -140.6 | 54.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 123 | S | 39.2 | Very low | 47.9 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -169.1 | 141.7 | 158.2 | 54.2 | 0 | 0 | 0 | 0 | 107.3 | ||
| 124 | E | 38.1 | Very low | 46.4 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | 94.3 | 67.6 | 178.7 | -49.6 | -175.2 | 177.7 | 0 | 0 | 115.4 | ||||
| 125 | A | 37.6 | Very low | 44.7 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -142.1 | 72.1 | 157 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 126 | D | 43.3 | Very low | 43.1 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -173.8 | 95.7 | 158.3 | -103.7 | -34.3 | 0 | 0 | 0 | 107.7 | ||||
| 127 | E | 46.3 | Very low | 42 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 171.1 | 117.7 | 137.1 | -94.5 | -177.2 | 122.1 | 0 | 0 | 112.2 | ||||
| 128 | Q | 47.5 | Very low | 41.2 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 87.6 | 100.5 | 140.1 | -59.1 | 174.2 | 22.8 | 0 | 0 | 120 | ||||
| 129 | H | 38.6 | Very low | 41 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -28.8 | 150.8 | 149.9 | -101 | -103.6 | 0 | 0 | 0 | 118.1 | ||||
| 130 | A | 39.1 | Very low | 40.9 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 88.3 | 97.8 | 147 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 131 | A | 40.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | 164.8 | 138.3 | 109.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 132 | A | 43 | Very low | 41.2 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | 74.5 | 122.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 133 | E | 37.1 | Very low | 41.3 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -50 | 133.1 | 168.1 | -67.2 | 169.2 | 103.3 | 0 | 0 | 114 | ||||
| 134 | H | 42.3 | Very low | 41.4 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -156 | 127.5 | 135.3 | -132.2 | -79.7 | 0 | 0 | 0 | 110.4 | ||||
| 135 | A | 41.4 | Very low | 41.7 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 66% | 0.661 | 80% | 0.802 | S | S | * | * | trans | -63.6 | 140.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 136 | H | 40.8 | Very low | 42.1 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | -170.5 | 135 | 123.8 | -103 | -69.5 | 0 | 0 | 0 | 111.3 | |||||
| 137 | A | 38.4 | Very low | 42.1 | Very low | 86 Ų | 86 | 141 Ų | 141 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -70.8 | 148.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 138 | H | 42.1 | Very low | 41.9 | Very low | 167 Ų | 167 | 138 Ų | 138 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -162 | 93.4 | 138.4 | -109.7 | -79.8 | 0 | 0 | 0 | 109.4 | H140 | H138-H140 AromaticContact CE1-CD2 3.94Å; H138-H140 AromaticContact CE1-NE2 3.43Å; H138-H140 PolarHBondContact CE1-NE2 2.97Å; H138-H140 AromaticContact ND1-CD2 3.24Å; H138-H140 PolarHBondContact ND1-CD2 3.46Å; H138-H140 AromaticContact ND1-NE2 3.23Å; H138-H140 PolarHBondContact ND1-NE2 3.38Å | ||
| 139 | A | 41.8 | Very low | 42 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -98.6 | 99.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | A141 | A139-A141 PolarHBondContact O-N 2.8Š| ||
| 140 | H | 43.9 | Very low | 42.5 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 88.2 | 168.2 | -92.8 | -83.9 | 0 | 0 | 0 | 109.3 | H138 | H138-H140 AromaticContact CE1-CD2 3.94Å; H138-H140 AromaticContact CE1-NE2 3.43Å; H138-H140 PolarHBondContact CE1-NE2 2.97Å; H138-H140 AromaticContact ND1-CD2 3.24Å; H138-H140 PolarHBondContact ND1-CD2 3.46Å; H138-H140 AromaticContact ND1-NE2 3.23Å; H138-H140 PolarHBondContact ND1-NE2 3.38Å | ||
| 141 | A | 40.2 | Very low | 43.4 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -91.2 | 99 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | A139 N143 | A139-A141 PolarHBondContact O-N 2.8Å; A141-N143 PolarHBondContact O-N 3.13Å | ||
| 142 | L | 45.6 | Very low | 44 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 104.3 | 171.4 | -68.2 | 179.3 | 0 | 0 | 0 | 108.8 | ||||
| 143 | N | 40.4 | Very low | 44.7 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -102.9 | 99.8 | 167.2 | -146.6 | -6.1 | 0 | 0 | 0 | 106.4 | A141 | A141-N143 PolarHBondContact O-N 3.13Š| ||
| 144 | L | 42.3 | Very low | 45.5 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -96 | 108.3 | 177.8 | -77.3 | 164.8 | 0 | 0 | 0 | 109 | ||||
| 145 | N | 43.7 | Very low | 46 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -136.5 | 149.2 | 160.6 | -160.2 | 35.6 | 0 | 0 | 0 | 108.2 | ||||
| 146 | V | 46.3 | Very low | 46.8 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 62% | 0.624 | 78% | 0.779 | S | S | * | * | trans | 96.6 | 95.9 | 161.6 | -169.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 147 | E | 42.3 | Very low | 47.2 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | 73.9 | 114.2 | 128.4 | -62.4 | 178.1 | 163.4 | 0 | 0 | 121 | |||||
| 148 | A | 43.3 | Very low | 48.3 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -67.5 | 129.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 149 | K | 48.3 | Very low | 48.7 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -143.4 | 115.3 | 146.1 | -93 | 177.2 | -176.8 | 164.3 | 0 | 108.5 | M151 | K149-M151 WeakPolarHBondContact O-CG 3.49Å; K149-M151 PolarHBondContact O-N 2.89Å | ||
| 150 | D | 48.9 | Very low | 49 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | 15.8 | 94.2 | 161.3 | -54.7 | -63.7 | 0 | 0 | 0 | 117.3 | ||||
| 151 | M | 58.9 | Low | 49.1 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -132.7 | 125.6 | 164.7 | -37.3 | -156.9 | 104.3 | 0 | 0 | 109.8 | K149 | K149-M151 WeakPolarHBondContact O-CG 3.49Å; K149-M151 PolarHBondContact O-N 2.89Å | ||
| 152 | K | 52.5 | Low | 49.3 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -57 | 132.2 | -173.8 | -159 | 175.5 | 178.5 | -168.6 | 0 | 111.9 | D154 | K152-D154 WeakPolarHBondContact CD-OD2 3.45Å; K152-D154 WeakPolarHBondContact CE-OD2 3.48Å; K152-D154 WeakPolarHBondContact CG-OD2 3.24Å; K152-D154 IonicContact NZ-OD2 3.54Å; K152-D154 PolarHBondContact O-N 3.36Å | ||
| 153 | L | 58.4 | Low | 49.6 | Very low | 146 Ų | 146 | 154.8 Ų | 154.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -76.7 | 52.7 | -174.3 | -149.1 | 155.3 | 0 | 0 | 0 | 111.9 | L156 | L153-L156 HydrophobicContact CD2-CD1 4.25Š|
| 154 | D | 53.1 | Low | 50.1 | Low | 105 Ų | 105 | 154.3 Ų | 154.3 | 56% | 0.561 | 78% | 0.783 | S | S | * | * | trans | -107.8 | 4.8 | -177 | -70.6 | -25.7 | 0 | 0 | 0 | 113.3 | K152 | K152-D154 WeakPolarHBondContact CD-OD2 3.45Å; K152-D154 WeakPolarHBondContact CE-OD2 3.48Å; K152-D154 WeakPolarHBondContact CG-OD2 3.24Å; K152-D154 IonicContact NZ-OD2 3.54Å; K152-D154 PolarHBondContact O-N 3.36Å | ||
| 155 | Y | 53.4 | Low | 50.2 | Low | 200 Ų | 200 | 151.9 Ų | 151.9 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -114.3 | 6.6 | -172.1 | -87.7 | -84 | 0 | 0 | 0 | 116.8 | ||||
| 156 | L | 57.9 | Low | 50.6 | Low | 147 Ų | 147 | 150.7 Ų | 150.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 11.7 | -176.9 | -78.7 | 170.7 | 0 | 0 | 0 | 115.6 | L153 | L153-L156 HydrophobicContact CD2-CD1 4.25Š|
| 157 | F | 50.6 | Low | 50.5 | Low | 200 Ų | 200 | 154.3 Ų | 154.3 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 7.5 | 178.7 | -84.8 | -83.6 | 0 | 0 | 0 | 115.1 | ||
| 158 | S | 60 | Low | 50.7 | Low | 97 Ų | 97 | 153 Ų | 153 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -100 | 11.3 | -172.3 | -61.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 159 | E | 51.6 | Low | 51 | Low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -110.6 | 25.5 | 178.4 | -68.5 | -170.7 | 165.2 | 0 | 0 | 114.6 | ||||
| 160 | L | 47.2 | Very low | 50.6 | Low | 158 Ų | 158 | 155.8 Ų | 155.8 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -109 | 93.3 | 161.1 | -90.4 | 105.9 | 0 | 0 | 0 | 110.6 | ||||
| 161 | D | 46.4 | Very low | 50.3 | Low | 124 Ų | 124 | 157.6 Ų | 157.6 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | 168.4 | 155.2 | 135.6 | -113 | -25.9 | 0 | 0 | 0 | 108.7 | ||||
| 162 | P | 45.2 | Very low | 49.6 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | S | Bend | cis | -145.8 | 96.9 | 38 | 32.7 | -7.7 | 0 | 0 | 0 | 113.6 | ||
| 163 | Y | 51.4 | Low | 49 | Very low | 210 Ų | 210 | 157.3 Ų | 157.3 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -113.4 | 8.5 | 162.4 | -149.7 | -97.8 | 0 | 0 | 0 | 112.8 | ||
| 164 | L | 49.4 | Very low | 48.4 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -114.8 | 63.3 | 174.9 | -61.9 | -178.7 | 0 | 0 | 0 | 110.7 | ||
| 165 | S | 44.9 | Very low | 47.9 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -159 | 71.7 | 161.2 | -80.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 166 | V | 51.9 | Low | 47.5 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -92.9 | 100.6 | 161.4 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | I168 | V166-I168 PolarHBondContact O-N 3.04Š| ||
| 167 | E | 45.6 | Very low | 47 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 125.3 | 168.4 | -69.2 | 179.6 | 153.9 | 0 | 0 | 109.4 | P169 | E167-P169 WeakPolarHBondContact O-CD 3.24Š|
| 168 | I | 46.2 | Very low | 46.8 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 116.5 | 175.2 | -61.3 | 169.3 | 0 | 0 | 0 | 107.9 | V166 R170 | V166-I168 PolarHBondContact O-N 3.04Å; I168-R170 PolarHBondContact O-N 2.82Å |
| 169 | P | 49 | Very low | 46.1 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 122.1 | 169.7 | -1.5 | 20 | 0 | 0 | 0 | 109 | E167 F171 | E167-P169 WeakPolarHBondContact O-CD 3.24Å; P169-F171 PolarHBondContact O-N 3.32Å |
| 170 | R | 41.3 | Very low | 45.4 | Very low | 238 Ų | 238 | 147.3 Ų | 147.3 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 124.3 | 166.2 | -73.2 | 176.6 | 148.8 | 100.7 | -2.7 | 110 | I168 | I168-R170 PolarHBondContact O-N 2.82Š|
| 171 | F | 41.3 | Very low | 45 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -122.4 | 139.5 | 154.3 | -95.9 | -84.6 | 0 | 0 | 0 | 110.2 | P169 | P169-F171 PolarHBondContact O-N 3.32Š| ||
| 172 | Q | 44.8 | Very low | 44.7 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -88 | 145.6 | -168.6 | -68.1 | 168.9 | -46.6 | 0 | 0 | 112.2 | ||||
| 173 | H | 38.9 | Very low | 44.2 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 52.9 | 113.5 | 152.8 | -80.6 | -71.6 | 0 | 0 | 0 | 120.3 | ||||
| 174 | A | 45.7 | Very low | 43.6 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -162.9 | 127.2 | 112.2 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 175 | D | 43.3 | Very low | 42.9 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | trans | -73 | 153 | -176.7 | -71.3 | -64.9 | 0 | 0 | 0 | 114.1 | ||||
| 176 | S | 45.5 | Very low | 42.8 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 66 | 113.9 | 139.9 | 61.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 177 | V | 47.9 | Very low | 42.2 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 165.2 | 120.9 | 107.8 | 159.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 178 | V | 44.6 | Very low | 42.3 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -89.2 | 143.8 | 163.7 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 179 | P | 45.8 | Very low | 41.9 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -131.9 | 137.7 | 132.7 | 19.4 | 0.2 | 0 | 0 | 0 | 113.6 | ||||
| 180 | N | 36.7 | Very low | 41.7 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 142.7 | 165.2 | -171.3 | 29.3 | 0 | 0 | 0 | 111 | ||||
| 181 | G | 39.6 | Very low | 41.7 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | 157.1 | 91.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 182 | A | 40.2 | Very low | 41.8 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | 69.1 | 106.4 | 92.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 183 | G | 35.4 | Very low | 41.6 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 81.5 | 110 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 184 | A | 37.3 | Very low | 41.9 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | 169.2 | 139.2 | 118.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 185 | A | 36.1 | Very low | 41.5 | Very low | 98 Ų | 98 | 123 Ų | 123 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 145.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 186 | V | 42.9 | Very low | 41.6 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -127.3 | 102.6 | 155.2 | -97.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 187 | E | 38.2 | Very low | 41.6 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -73.6 | 127.8 | 165.8 | -169 | -177.9 | -165.8 | 0 | 0 | 107.7 | ||||
| 188 | L | 47.3 | Very low | 40.9 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -119.7 | 101.1 | 169.5 | -92.7 | 156.1 | 0 | 0 | 0 | 107.4 | ||||
| 189 | D | 38.7 | Very low | 40.9 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 62% | 0.615 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 129.2 | 178.2 | -154.5 | 7.2 | 0 | 0 | 0 | 109.2 | T191 | D189-T191 WeakPolarHBondContact OD1-CG2 3.31Š| ||
| 190 | F | 45.3 | Very low | 40.9 | Very low | 207 Ų | 207 | 129.3 Ų | 129.3 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -135.4 | 104.4 | 163.5 | -117.3 | -85.8 | 0 | 0 | 0 | 107.4 | ||||
| 191 | T | 40.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -93.6 | 164 | -171.8 | 46.3 | 0 | 0 | 0 | 0 | 113 | D189 | D189-T191 WeakPolarHBondContact OD1-CG2 3.31Š| ||
| 192 | C | 42.9 | Very low | 41 | Very low | 136 Ų | 136 | 134 Ų | 134 | 92% | 0.919 | 81% | 0.809 | S | S | * | * | trans | 87.6 | 101.7 | 171.8 | -148.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 193 | G | 40.4 | Very low | 41.1 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | 121.4 | 114.1 | 51.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 194 | I | 44.3 | Very low | 41.1 | Very low | 180 Ų | 180 | 140 Ų | 140 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | -171.8 | 133.6 | 85.7 | -74.6 | 155.2 | 0 | 0 | 0 | 105.4 | |||||
| 195 | G | 39 | Very low | 41.8 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -85.6 | 160.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 196 | V | 44.4 | Very low | 41.7 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -148.9 | 143 | 132.6 | -145.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 197 | K | 44.8 | Very low | 41.5 | Very low | 210 Ų | 210 | 142 Ų | 142 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 140.4 | -159.8 | -64 | 173.4 | 178.2 | 177.5 | 0 | 114.9 | ||||
| 198 | H | 33.8 | Very low | 41.5 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -56.2 | 144.1 | 170.5 | -104.6 | -106.8 | 0 | 0 | 0 | 114 | S200 | H198-S200 PolarHBondContact ND1-OG 3.46Š| ||
| 199 | S | 44.5 | Very low | 41.2 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -130 | 96.7 | 144.4 | -166.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 200 | S | 46 | Very low | 41.5 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 59% | 0.594 | 80% | 0.798 | S | S | * | * | trans | -77.3 | 125.2 | 174.7 | -62 | 0 | 0 | 0 | 0 | 109.9 | H198 S202 | H198-S200 PolarHBondContact ND1-OG 3.46Å; S200-S202 PolarHBondContact O-N 3.17Å | ||
| 201 | Y | 37.5 | Very low | 41.3 | Very low | 214 Ų | 214 | 135.9 Ų | 135.9 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -39.2 | 118.8 | 157.2 | 174.7 | -99.9 | 0 | 0 | 0 | 111.4 | ||||
| 202 | S | 41.9 | Very low | 41.1 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -127.4 | 131.6 | 167.9 | -158.2 | 0 | 0 | 0 | 0 | 110.2 | S200 | S200-S202 PolarHBondContact O-N 3.17Š| ||
| 203 | S | 41.5 | Very low | 41.1 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 146.6 | -170.3 | 37 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 204 | Y | 36.1 | Very low | 40.9 | Very low | 225 Ų | 225 | 137 Ų | 137 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -54.5 | 129.7 | 173.6 | -60.1 | -88.5 | 0 | 0 | 0 | 114 | ||||
| 205 | T | 51 | Low | 40.7 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -141.7 | 132.3 | 146.1 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 206 | A | 34.1 | Very low | 40.8 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -69.3 | 150.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 207 | T | 39.5 | Very low | 40.9 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -156.5 | 130.6 | 131.7 | -33 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 208 | S | 37.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -55 | 152.2 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 209 | L | 41.4 | Very low | 41.2 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | -162.8 | 139.7 | 124.3 | -120.1 | 80.4 | 0 | 0 | 0 | 110 | |||||
| 210 | A | 44.3 | Very low | 41.3 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | trans | -23.8 | 150.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 211 | H | 40 | Very low | 41 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | -159.7 | 142.1 | 56 | -71.7 | 75.8 | 0 | 0 | 0 | 112 | |||||
| 212 | S | 37.9 | Very low | 41.7 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -71.9 | 152.3 | 173.1 | -51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 213 | G | 43.1 | Very low | 41.5 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -172.3 | 90.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 214 | S | 36 | Very low | 41.5 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -90.3 | 153.6 | -175.8 | -172.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 215 | S | 38.9 | Very low | 41.7 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | 99.5 | 125.4 | 139.3 | -148.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 216 | S | 42.9 | Very low | 41.2 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | 53.5 | 117.1 | 138.7 | 58.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 217 | E | 46.5 | Very low | 41.5 | Very low | 192 Ų | 192 | 125.7 Ų | 125.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | 171.8 | 171.8 | 103.7 | 62.9 | -164.9 | 137.6 | 0 | 0 | 112.3 | |||||
| 218 | V | 41.4 | Very low | 41.7 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 138.4 | -163.2 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 219 | G | 43.6 | Very low | 42 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | -179.5 | 84 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 220 | V | 46 | Very low | 42 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | 47.7 | 117.1 | 130.8 | -174.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 221 | V | 38.7 | Very low | 41.9 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135 | 166.4 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | E223 | V221-E223 HydrophobicContact CG1-CG 4.46Š|
| 222 | P | 53.8 | Low | 41.7 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 119.3 | 158.3 | 4.8 | 15.4 | 0 | 0 | 0 | 110.7 | ||
| 223 | E | 36.4 | Very low | 41.9 | Very low | 185 Ų | 185 | 115.3 Ų | 115.3 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 162.1 | 163.6 | -82 | 178.2 | 124.3 | 0 | 0 | 111.7 | V221 | V221-E223 HydrophobicContact CG1-CG 4.46Š|
| 224 | A | 41.1 | Very low | 41.7 | Very low | 91 Ų | 91 | 117.2 Ų | 117.2 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | 96.4 | 97.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 225 | F | 42.1 | Very low | 42.3 | Very low | 211 Ų | 211 | 121.1 Ų | 121.1 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | -179 | 138 | 117 | 60.1 | -93.4 | 0 | 0 | 0 | 106.7 | |||||
| 226 | G | 39.9 | Very low | 42.3 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | cis | 157.9 | 134.2 | 6.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 227 | G | 40.2 | Very low | 42.5 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 141.3 | 94.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 228 | S | 44.3 | Very low | 42.2 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | trans | 70.7 | 115.6 | 134 | 176.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 229 | G | 43.1 | Very low | 42.3 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 147.4 | 79.5 | 136 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 230 | S | 43 | Very low | 42.3 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | 65.6 | 111.7 | 142.6 | -110.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 231 | G | 40.4 | Very low | 42.2 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 75 | 126.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 232 | G | 36.8 | Very low | 42.4 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | cis | 154.3 | 129.4 | 11 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 233 | G | 40.9 | Very low | 41.7 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | 146.2 | 80.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 234 | S | 40.5 | Very low | 42.1 | Very low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -60.4 | 142 | 171 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 235 | F | 48.9 | Very low | 42 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | -151.7 | 124 | 114.2 | 57.4 | -83.2 | 0 | 0 | 0 | 109.6 | |||||
| 236 | E | 38.9 | Very low | 41.8 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -83.4 | 139.8 | 175.9 | -176.8 | -169.6 | 150.3 | 0 | 0 | 108.4 | ||||
| 237 | L | 47.1 | Very low | 42.1 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | trans | -161.8 | 103.7 | 135.8 | -126.8 | 78.1 | 0 | 0 | 0 | 109.7 | F239 | L237-F239 HydrophobicContact CD2-CD2 4.42Å; L237-F239 HydrophobicContact CD2-CE2 3.9Å; L237-F239 HydrophobicContact CG-CE2 4.26Å | ||
| 238 | D | 38.7 | Very low | 42.5 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 60% | 0.599 | 82% | 0.815 | S | S | * | * | trans | -72.8 | 137.5 | 170.6 | -174.3 | 12.9 | 0 | 0 | 0 | 110.3 | ||||
| 239 | F | 44.3 | Very low | 43.2 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -156.2 | 93.1 | 158 | -84.8 | -65.8 | 0 | 0 | 0 | 111.4 | L237 R241 | L237-F239 HydrophobicContact CD2-CD2 4.42Å; L237-F239 HydrophobicContact CD2-CE2 3.9Å; L237-F239 HydrophobicContact CG-CE2 4.26Å; F239-R241 PolarHBondContact O-N 3.14Å | ||
| 240 | T | 43.8 | Very low | 43.1 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -67.9 | 112.1 | 159.9 | 41.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 241 | R | 42.6 | Very low | 43.2 | Very low | 236 Ų | 236 | 145.7 Ų | 145.7 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 167 | 146.8 | -120.2 | -168.1 | 157.7 | 156.9 | -5.3 | 119.5 | F239 | F239-R241 PolarHBondContact O-N 3.14Š| ||
| 242 | P | 43.7 | Very low | 43.4 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | -121.5 | 171.6 | -52.6 | 17.8 | 4.7 | 0 | 0 | 0 | 114.2 | |||||
| 243 | K | 38.8 | Very low | 43.7 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -31.7 | 146.4 | 167.6 | -109.8 | 166 | 176.6 | 164.4 | 0 | 117.1 | ||||
| 244 | P | 45 | Very low | 44.2 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | -139.7 | 135.4 | 99.8 | 34.1 | -18.4 | 0 | 0 | 0 | 112.8 | |||||
| 245 | Q | 38.5 | Very low | 44.4 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | 67.6 | 117.3 | 94.2 | -156.2 | 174.6 | 1.5 | 0 | 0 | 115.7 | |||||
| 246 | A | 38.8 | Very low | 44.5 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 64.8 | 108.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 247 | Y | 46 | Very low | 44.8 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | -168.3 | 121.9 | 125.5 | -168.6 | -113.4 | 0 | 0 | 0 | 110.2 | P249 | Y247-P249 HydrophobicContact CD1-CG 4.35Å; Y247-P249 HydrophobicContact CE1-CB 3.97Å; Y247-P249 HydrophobicContact CE1-CG 3.87Å | |||
| 248 | M | 48.8 | Very low | 45 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | trans | -111.6 | 139.1 | 162.3 | -93 | -78 | 155.9 | 0 | 0 | 107.1 | ||||
| 249 | P | 58.1 | Low | 45.6 | Very low | 92 Ų | 92 | 147 Ų | 147 | 60% | 0.597 | 80% | 0.796 | S | S | * | * | trans | -114.3 | 145.3 | 156.4 | 34.3 | -22.8 | 0 | 0 | 0 | 112.2 | Y247 | Y247-P249 HydrophobicContact CD1-CG 4.35Å; Y247-P249 HydrophobicContact CE1-CB 3.97Å; Y247-P249 HydrophobicContact CE1-CG 3.87Å | ||
| 250 | Y | 41.9 | Very low | 45.5 | Very low | 217 Ų | 217 | 144 Ų | 144 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 164.7 | -172.2 | -109.7 | -105.8 | 0 | 0 | 0 | 115.3 | ||||
| 251 | T | 45 | Very low | 45.5 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | 76.4 | 130.2 | 147.4 | 54 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 252 | G | 43.5 | Very low | 45.9 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 168 | 64.5 | 155 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 253 | T | 44.4 | Very low | 46.1 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -81.7 | 149.8 | 161.9 | 36.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 254 | P | 51.5 | Low | 47 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | -134.9 | 129 | 117.4 | 32.8 | -19.3 | 0 | 0 | 0 | 111.1 | |||||
| 255 | Q | 44.1 | Very low | 47.1 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | 48.6 | 100.5 | 99.3 | -70 | -170.8 | 2.2 | 0 | 0 | 115.3 | |||||
| 256 | S | 50.6 | Low | 47.7 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -146.8 | 137.6 | 136.9 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 257 | H | 46.5 | Very low | 48.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 145.8 | -162.6 | -46.1 | -92.3 | 0 | 0 | 0 | 109.3 | ||||
| 258 | S | 50.6 | Low | 48.6 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | 177.8 | 120.2 | 140.2 | -77.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 259 | V | 51.2 | Low | 48.5 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -111.4 | 161.8 | 171.7 | -81.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 260 | P | 42 | Very low | 48.2 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -102.4 | 163.9 | -143.1 | 39.5 | -34.2 | 0 | 0 | 0 | 114.1 | ||||
| 261 | S | 44.5 | Very low | 48.2 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -170.7 | 129.1 | 161.4 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 262 | A | 51.4 | Low | 48.3 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 145.3 | 103.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 263 | D | 47.5 | Very low | 48.5 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -54.4 | 132 | 159.9 | -54.5 | -84.8 | 0 | 0 | 0 | 111 | ||||
| 264 | V | 57.9 | Low | 48.6 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -137.2 | 104.9 | 158.8 | -178.9 | 0 | 0 | 0 | 0 | 107 | V266 | V264-V266 HydrophobicContact CG1-CG2 4.05Å; V264-V266 PolarHBondContact O-N 3.12Å | ||
| 265 | E | 45.9 | Very low | 48.4 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 122.9 | 158.8 | -87.9 | -162.1 | 127.8 | 0 | 0 | 109 | ||||
| 266 | V | 52.6 | Low | 48.6 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -119.1 | 115.1 | 157.9 | 172 | 0 | 0 | 0 | 0 | 107.3 | V264 | V264-V266 HydrophobicContact CG1-CG2 4.05Å; V264-V266 PolarHBondContact O-N 3.12Å | ||
| 267 | V | 54.5 | Low | 48.6 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -54 | 136.6 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 268 | P | 48.2 | Very low | 48.6 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -90.3 | 122.7 | 178.4 | 33.9 | -28.2 | 0 | 0 | 0 | 111 | ||||
| 269 | E | 47.4 | Very low | 48.3 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -116.4 | 111.9 | 166.6 | -98.3 | -92.7 | 117.5 | 0 | 0 | 109.5 | ||||
| 270 | R | 50.7 | Low | 48.1 | Very low | 217 Ų | 217 | 134.4 Ų | 134.4 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | 49.6 | 110.7 | 142.4 | -59.2 | 179.6 | -171.9 | -135.3 | -6 | 119.8 | ||||
| 271 | G | 42.4 | Very low | 48.3 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | 100.8 | 89.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 272 | D | 47.2 | Very low | 48.3 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -161.4 | 127.7 | 138.4 | -91.5 | -38 | 0 | 0 | 0 | 108.8 | A274 | D272-A274 PolarHBondContact O-N 2.99Š| ||
| 273 | L | 48.1 | Very low | 48.6 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | trans | -64.9 | 91.7 | -178.1 | -64.8 | 165.1 | 0 | 0 | 0 | 109 | A275 | L273-A275 PolarHBondContact O-N 3.2Å; L273-A275 VanDerWaalsContact O-N 3.1Å | ||
| 274 | A | 45.7 | Very low | 49.7 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | trans | -66 | 111.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | D272 V276 | D272-A274 PolarHBondContact O-N 2.99Å; A274-V276 PolarHBondContact O-N 3.17Å | ||
| 275 | A | 47.6 | Very low | 50.7 | Low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -41.4 | 111.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | L273 R277 | L273-A275 PolarHBondContact O-N 3.2Å; L273-A275 VanDerWaalsContact O-N 3.1Å; A275-R277 VanDerWaalsContact C-N 3.26Å; A275-R277 PolarHBondContact O-N 3.44Å | ||
| 276 | V | 47.9 | Very low | 52.1 | Low | 141 Ų | 141 | 124.7 Ų | 124.7 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | -63.7 | 92.9 | 170 | 178.9 | 0 | 0 | 0 | 0 | 106.7 | A274 | A274-V276 PolarHBondContact O-N 3.17Š| ||
| 277 | R | 50.7 | Low | 53.5 | Low | 214 Ų | 214 | 125.8 Ų | 125.8 | 81% | 0.808 | 71% | 0.709 | S | S | * | * | trans | -64.4 | 127.3 | 169.6 | -68.4 | 180 | 66.7 | -166.9 | 0.3 | 106.9 | A275 V279 | A275-R277 VanDerWaalsContact C-N 3.26Å; A275-R277 PolarHBondContact O-N 3.44Å; R277-V279 PolarHBondContact O-N 3.32Å | ||
| 278 | P | 46 | Very low | 55 | Low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 69% | 0.686 | S | S | * | * | trans | -61.9 | 107.4 | 170.6 | 24.6 | -30.2 | 0 | 0 | 0 | 107.3 | P280 | P278-P280 WeakPolarHBondContact O-CD 3.05Š| ||
| 279 | V | 43.9 | Very low | 56.6 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 75% | 0.745 | 67% | 0.673 | S | S | * | * | trans | -59.7 | 120.5 | 166.1 | 177.4 | 0 | 0 | 0 | 0 | 104.8 | R277 L281 | R277-V279 PolarHBondContact O-N 3.32Å; V279-L281 PolarHBondContact O-N 2.9Å | ||
| 280 | P | 47.7 | Very low | 58.3 | Low | 86 Ų | 86 | 116.5 Ų | 116.5 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | trans | -58.4 | 114 | 168.9 | -6.9 | 19.8 | 0 | 0 | 0 | 104.5 | P278 M282 | P278-P280 WeakPolarHBondContact O-CD 3.05Å; P280-M282 HydrophobicContact CB-CE 4.1Å; P280-M282 HydrophobicContact CG-CE 3.99Å; P280-M282 PolarHBondContact O-N 3.25Å | ||
| 281 | L | 47.3 | Very low | 60 | Low | 174 Ų | 174 | 110.5 Ų | 110.5 | 91% | 0.911 | 63% | 0.629 | S | S | * | * | trans | -48.9 | 100.1 | 165.8 | -116.3 | 155.6 | 0 | 0 | 0 | 104.3 | V279 G283 | V279-L281 PolarHBondContact O-N 2.9Å; L281-G283 PolarHBondContact O-N 2.92Å | ||
| 282 | M | 44.4 | Very low | 62.3 | Low | 155 Ų | 155 | 112.5 Ų | 112.5 | 76% | 0.764 | 62% | 0.616 | S | S | * | * | trans | -64 | 95.1 | -174 | -79.2 | -71.9 | 151.9 | 0 | 0 | 105.2 | P280 E284 | P280-M282 HydrophobicContact CB-CE 4.1Å; P280-M282 HydrophobicContact CG-CE 3.99Å; P280-M282 PolarHBondContact O-N 3.25Å; M282-E284 PolarHBondContact O-N 3.06Å | ||
| 283 | G | 56.2 | Low | 64.1 | Low | 56 Ų | 56 | 108.5 Ų | 108.5 | 58% | 0.577 | 59% | 0.589 | S | S | * | * | trans | -48.3 | 127.9 | 171 | 0 | 0 | 0 | 0 | 0 | 106.2 | L281 S285 | L281-G283 PolarHBondContact O-N 2.92Å; G283-S285 PolarHBondContact O-N 3.18Å | ||
| 284 | E | 71 | Confident | 66 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 42% | 0.416 | 56% | 0.564 | S | S | . | * | trans | -35.4 | 131.8 | -174.4 | -178.7 | 172.9 | 170.1 | 0 | 0 | 112.7 | M282 R286 A288 R292 | M282-E284 PolarHBondContact O-N 3.06Å; E284-R286 PolarHBondContact O-N 3.45Å; E284-A288 HydrophobicContact CG-CB 3.58Å; E284-R292 IonicContact OE1-CZ 2.9Å; E284-R292 IonicContact OE1-NE 3.32Å; E284-R292 PolarHBondContact OE1-NE 2.88Å; E284-R292 IonicContact OE1-NH1 3.6Å; E284-R292 PolarHBondContact OE1-NH1 3.47Å; E284-R292 IonicContact OE1-NH2 3.67Å; E284-R292 PolarHBondContact OE1-NH2 3.34Å; E284-R292 VanDerWaalsContact OE1-NH2 3.11Å; E284-R292 IonicContact OE2-CZ 3.25Å; E284-R292 IonicContact OE2-NE 2.99Å; E284-R292 IonicContact OE2-NH1 3.06Å; E284-R292 PolarHBondContact OE2-NH1 3.1Å; E284-R292 IonicContact OE2-NH2 3.9Å; E284-R292 PolarHBondContact OE2-NH2 3.19Å | ||
| 285 | S | 78.3 | Confident | 68.2 | Low | 71 Ų | 71 | 105.7 Ų | 105.7 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | trans | -48.5 | 138.9 | -170.5 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | G283 E287 A288 R289 | G283-S285 PolarHBondContact O-N 3.18Å; S285-E287 PolarHBondContact O-N 3.46Å; S285-A288 WeakPolarHBondContact O-CA 3.46Å; S285-A288 WeakPolarHBondContact O-CB 3.34Å; S285-A288 PolarHBondContact O-N 2.88Å; S285-R289 PolarHBondContact O-N 2.76Å | ||
| 286 | R | 75.8 | Confident | 70.2 | Confident | 59 Ų | 59 | 108.6 Ų | 108.6 | 22% | 0.223 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -50.8 | -35.3 | -179 | 179.7 | 164.5 | 179.4 | -109.9 | 3.8 | 112.5 | W7 G8 V58 E60 E284 R289 L290 | W7-R286 PolarHBondContact O-NH2 3.14Å; G8-R286 PolarHBondContact O-NH1 2.82Å; G8-R286 PolarHBondContact O-NH2 3.2Å; V58-R286 PolarHBondContact O-NH2 3.39Å; E60-R286 WeakPolarHBondContact OE1-CD 3.29Å; E60-R286 IonicContact OE1-CZ 3.61Å; E60-R286 IonicContact OE1-NE 3.82Å; E60-R286 PolarHBondContact OE1-NE 3.37Å; E60-R286 VanDerWaalsContact OE1-NE 3.08Å; E60-R286 IonicContact OE1-NH1 2.72Å; E60-R286 PolarHBondContact OE1-NH1 3.46Å; E60-R286 IonicContact OE2-CZ 3.6Å; E60-R286 IonicContact OE2-NE 2.68Å; E60-R286 IonicContact OE2-NH1 2.76Å; E60-R286 PolarHBondContact OE2-NH1 3Å; E60-R286 IonicContact OE2-NH2 3.78Å; E284-R286 PolarHBondContact O-N 3.45Å; R286-R289 PolarHBondContact O-N 2.89Å; R286-L290 HydrophobicContact CG-CD1 4.16Å; R286-L290 HydrophobicContact CG-CG 4.36Å; R286-L290 WeakPolarHBondContact O-CB 3.33Å; R286-L290 WeakPolarHBondContact O-CG 3.14Å; R286-L290 PolarHBondContact O-N 3.41Å |
| 287 | E | 81.5 | Confident | 72 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.7 | -47.5 | 173.5 | -61.4 | -177.1 | 168.4 | 0 | 0 | 112 | S285 L290 M291 | S285-E287 PolarHBondContact O-N 3.46Å; E287-L290 PolarHBondContact O-N 3.39Å; E287-M291 WeakPolarHBondContact O-CB 3.34Å; E287-M291 VanDerWaalsContact O-CG 3.25Å; E287-M291 WeakPolarHBondContact O-CG 3.46Å; E287-M291 PolarHBondContact O-N 3.15Å |
| 288 | A | 86.7 | Confident | 73.7 | Confident | 28 Ų | 28 | 106.7 Ų | 106.7 | 23% | 0.231 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E284 S285 M291 R292 | E284-A288 HydrophobicContact CG-CB 3.58Å; S285-A288 WeakPolarHBondContact O-CA 3.46Å; S285-A288 WeakPolarHBondContact O-CB 3.34Å; S285-A288 PolarHBondContact O-N 2.88Å; A288-M291 PolarHBondContact O-N 2.87Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 3.3Å; A288-R292 PolarHBondContact O-NE 2.68Å |
| 289 | R | 82.4 | Confident | 75.6 | Confident | 140 Ų | 140 | 107.1 Ų | 107.1 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 171.7 | -163.1 | -176.6 | -59.3 | 166.5 | 2.8 | 111.9 | S285 R286 R292 Y293 | S285-R289 PolarHBondContact O-N 2.76Å; R286-R289 PolarHBondContact O-N 2.89Å; R289-R292 PolarHBondContact O-N 2.95Å; R289-Y293 PolarHBondContact O-N 2.85Å |
| 290 | L | 82.3 | Confident | 77.5 | Confident | 28 Ų | 28 | 106.9 Ų | 106.9 | 15% | 0.147 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 177 | -71.2 | 176 | 0 | 0 | 0 | 111.8 | W7 R286 E287 Y293 R294 | W7-L290 HydrophobicContact CB-CD2 4.31Å; R286-L290 HydrophobicContact CG-CD1 4.16Å; R286-L290 HydrophobicContact CG-CG 4.36Å; R286-L290 WeakPolarHBondContact O-CB 3.33Å; R286-L290 WeakPolarHBondContact O-CG 3.14Å; R286-L290 PolarHBondContact O-N 3.41Å; E287-L290 PolarHBondContact O-N 3.39Å; L290-Y293 PolarHBondContact O-N 3.35Å; L290-R294 WeakPolarHBondContact O-CB 3.48Å; L290-R294 VanDerWaalsContact O-CG 3.24Å; L290-R294 WeakPolarHBondContact O-CG 3.11Å; L290-R294 PolarHBondContact O-N 2.83Å |
| 291 | M | 87.3 | Confident | 78.7 | Confident | 91 Ų | 91 | 111.4 Ų | 111.4 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 176.4 | -78 | -60.5 | -69.3 | 0 | 0 | 111.7 | E287 A288 Y293 R294 E295 | E287-M291 WeakPolarHBondContact O-CB 3.34Å; E287-M291 VanDerWaalsContact O-CG 3.25Å; E287-M291 WeakPolarHBondContact O-CG 3.46Å; E287-M291 PolarHBondContact O-N 3.15Å; A288-M291 PolarHBondContact O-N 2.87Å; M291-Y293 VanDerWaalsContact C-N 3.3Å; M291-Y293 PolarHBondContact O-N 3.16Å; M291-R294 WeakPolarHBondContact O-CB 3.11Å; M291-R294 PolarHBondContact O-N 3.34Å; M291-R294 VanDerWaalsContact O-N 3.13Å; M291-E295 WeakPolarHBondContact O-CB 3.23Å; M291-E295 WeakPolarHBondContact O-CG 3.38Å; M291-E295 PolarHBondContact O-N 3.31Å |
| 292 | R | 89.4 | Confident | 79.9 | Confident | 109 Ų | 109 | 111.2 Ų | 111.2 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 174.9 | -70.2 | 178.7 | -58.4 | -172.1 | -2.5 | 113 | E284 A288 R289 K296 | E284-R292 IonicContact OE1-CZ 2.9Å; E284-R292 IonicContact OE1-NE 3.32Å; E284-R292 PolarHBondContact OE1-NE 2.88Å; E284-R292 IonicContact OE1-NH1 3.6Å; E284-R292 PolarHBondContact OE1-NH1 3.47Å; E284-R292 IonicContact OE1-NH2 3.67Å; E284-R292 PolarHBondContact OE1-NH2 3.34Å; E284-R292 VanDerWaalsContact OE1-NH2 3.11Å; E284-R292 IonicContact OE2-CZ 3.25Å; E284-R292 IonicContact OE2-NE 2.99Å; E284-R292 IonicContact OE2-NH1 3.06Å; E284-R292 PolarHBondContact OE2-NH1 3.1Å; E284-R292 IonicContact OE2-NH2 3.9Å; E284-R292 PolarHBondContact OE2-NH2 3.19Å; A288-R292 WeakPolarHBondContact O-CG 3.48Å; A288-R292 PolarHBondContact O-N 3.3Å; A288-R292 PolarHBondContact O-NE 2.68Å; R289-R292 PolarHBondContact O-N 2.95Å; R292-K296 WeakPolarHBondContact O-CB 3.3Å; R292-K296 PolarHBondContact O-N 2.87Å |
| 293 | Y | 85.1 | Confident | 81.4 | Confident | 81 Ų | 81 | 112.1 Ų | 112.1 | 32% | 0.318 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 173.3 | 176.9 | -104.3 | 0 | 0 | 0 | 111.4 | R289 L290 M291 K296 R297 | R289-Y293 PolarHBondContact O-N 2.85Å; L290-Y293 PolarHBondContact O-N 3.35Å; M291-Y293 VanDerWaalsContact C-N 3.3Å; M291-Y293 PolarHBondContact O-N 3.16Å; Y293-K296 PolarHBondContact O-N 3.08Å; Y293-R297 WeakPolarHBondContact O-CB 3.49Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 3.06Å |
| 294 | R | 88.6 | Confident | 82.1 | Confident | 116 Ų | 116 | 115.4 Ų | 115.4 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.2 | -72 | 168.1 | -179.1 | 174.7 | 0.9 | 111.6 | L290 M291 R297 K298 | L290-R294 WeakPolarHBondContact O-CB 3.48Å; L290-R294 VanDerWaalsContact O-CG 3.24Å; L290-R294 WeakPolarHBondContact O-CG 3.11Å; L290-R294 PolarHBondContact O-N 2.83Å; M291-R294 WeakPolarHBondContact O-CB 3.11Å; M291-R294 PolarHBondContact O-N 3.34Å; M291-R294 VanDerWaalsContact O-N 3.13Å; R294-R297 PolarHBondContact O-N 3.45Å; R294-K298 WeakPolarHBondContact O-CG 2.84Å; R294-K298 PolarHBondContact O-N 2.93Å |
| 295 | E | 91.2 | Very high | 82.2 | Confident | 98 Ų | 98 | 116.8 Ų | 116.8 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 175.2 | -74.8 | 173 | -171.2 | 0 | 0 | 111.7 | M291 R297 K298 N299 | M291-E295 WeakPolarHBondContact O-CB 3.23Å; M291-E295 WeakPolarHBondContact O-CG 3.38Å; M291-E295 PolarHBondContact O-N 3.31Å; E295-R297 PolarHBondContact O-N 2.91Å; E295-K298 PolarHBondContact O-N 3.03Å; E295-K298 VanDerWaalsContact O-N 3.14Å; E295-N299 WeakPolarHBondContact O-CB 3.27Å; E295-N299 VanDerWaalsContact O-CG 3.31Å; E295-N299 PolarHBondContact O-N 2.98Å; E295-N299 PolarHBondContact O-OD1 3.14Å |
| 296 | K | 89.9 | Confident | 81.8 | Confident | 149 Ų | 149 | 120.8 Ų | 120.8 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.2 | -36 | 175.7 | -177.3 | 174.9 | -76 | -178.9 | 0 | 110.9 | R292 Y293 R300 | R292-K296 WeakPolarHBondContact O-CB 3.3Å; R292-K296 PolarHBondContact O-N 2.87Å; Y293-K296 PolarHBondContact O-N 3.08Å; K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 2.85Å |
| 297 | R | 85.5 | Confident | 82 | Confident | 139 Ų | 139 | 124.7 Ų | 124.7 | 53% | 0.525 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.8 | -44.4 | 176 | -166.6 | 176.5 | -178.9 | 99.4 | 2 | 112.6 | Y293 R294 E295 N299 R300 | Y293-R297 WeakPolarHBondContact O-CB 3.49Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 3.06Å; R294-R297 PolarHBondContact O-N 3.45Å; E295-R297 PolarHBondContact O-N 2.91Å; R297-N299 VanDerWaalsContact C-N 3.29Å; R297-N299 PolarHBondContact O-N 2.88Å; R297-R300 WeakPolarHBondContact O-CB 3.21Å; R297-R300 WeakPolarHBondContact O-CG 3.49Å; R297-R300 PolarHBondContact O-N 3.4Å |
| 298 | K | 87.5 | Confident | 82.1 | Confident | 176 Ų | 176 | 125 Ų | 125 | 77% | 0.765 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -37.1 | 174.9 | -73.7 | 176 | -179.3 | -177 | 0 | 111.9 | R294 E295 R300 | R294-K298 WeakPolarHBondContact O-CG 2.84Å; R294-K298 PolarHBondContact O-N 2.93Å; E295-K298 PolarHBondContact O-N 3.03Å; E295-K298 VanDerWaalsContact O-N 3.14Å; K298-R300 VanDerWaalsContact C-N 3.26Å; K298-R300 PolarHBondContact O-N 3.48Å |
| 299 | N | 85.2 | Confident | 81.9 | Confident | 130 Ų | 130 | 127.4 Ų | 127.4 | 70% | 0.695 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 0.5 | -179.2 | -66.5 | 11.3 | 0 | 0 | 0 | 113.1 | E295 R297 R301 | E295-N299 WeakPolarHBondContact O-CB 3.27Å; E295-N299 VanDerWaalsContact O-CG 3.31Å; E295-N299 PolarHBondContact O-N 2.98Å; E295-N299 PolarHBondContact O-OD1 3.14Å; R297-N299 VanDerWaalsContact C-N 3.29Å; R297-N299 PolarHBondContact O-N 2.88Å; N299-R301 PolarHBondContact O-N 3.46Å; N299-R301 VanDerWaalsContact O-N 3.12Å |
| 300 | R | 83.8 | Confident | 82.2 | Confident | 118 Ų | 118 | 123.9 Ų | 123.9 | 45% | 0.445 | 57% | 0.565 | S | S | . | * | trans | -68.7 | 109.8 | 171.3 | -61 | -174.2 | -176 | -149.1 | 1.6 | 108.6 | K296 R297 K298 F302 | K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 2.85Å; R297-R300 WeakPolarHBondContact O-CB 3.21Å; R297-R300 WeakPolarHBondContact O-CG 3.49Å; R297-R300 PolarHBondContact O-N 3.4Å; K298-R300 VanDerWaalsContact C-N 3.26Å; K298-R300 PolarHBondContact O-N 3.48Å; R300-F302 HydrophobicContact CB-CD2 4.21Å; R300-F302 HydrophobicContact CB-CE2 3.67Å; R300-F302 HydrophobicContact CB-CZ 3.88Å; R300-F302 PolarHBondContact O-N 2.9Å | ||
| 301 | R | 74.2 | Confident | 82.6 | Confident | 181 Ų | 181 | 131.2 Ų | 131.2 | 68% | 0.683 | 59% | 0.591 | S | S | * | * | trans | -88.5 | 93.9 | 170.7 | -68.7 | -167.6 | 174.5 | -104.7 | 3.2 | 109.2 | N299 E303 K304 | N299-R301 PolarHBondContact O-N 3.46Å; N299-R301 VanDerWaalsContact O-N 3.12Å; R301-E303 PolarHBondContact O-N 3.35Å; R301-K304 HydrophobicContact CB-CD 4.2Å; R301-K304 HydrophobicContact CB-CG 4.22Å; R301-K304 PolarHBondContact O-N 2.96Å | ||
| 302 | F | 72 | Confident | 82.8 | Confident | 170 Ų | 170 | 131.6 Ų | 131.6 | 75% | 0.746 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -18 | 178.3 | -67.1 | -80.6 | 0 | 0 | 0 | 113.6 | R300 K304 | R300-F302 HydrophobicContact CB-CD2 4.21Å; R300-F302 HydrophobicContact CB-CE2 3.67Å; R300-F302 HydrophobicContact CB-CZ 3.88Å; R300-F302 PolarHBondContact O-N 2.9Å; F302-K304 VanDerWaalsContact C-N 3.35Å |
| 303 | E | 75.6 | Confident | 82.9 | Confident | 175 Ų | 175 | 128.8 Ų | 128.8 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -21.8 | 179.6 | -169.2 | 174.1 | -162.6 | 0 | 0 | 113.4 | R301 T305 | R301-E303 PolarHBondContact O-N 3.35Å; E303-T305 PolarHBondContact O-N 3.41Å |
| 304 | K | 71.3 | Confident | 83.2 | Confident | 125 Ų | 125 | 131.9 Ų | 131.9 | 54% | 0.543 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -72.1 | 106.5 | 178.4 | -69.9 | -178.3 | 179.7 | 175.6 | 0 | 109 | R301 F302 | R301-K304 HydrophobicContact CB-CD 4.2Å; R301-K304 HydrophobicContact CB-CG 4.22Å; R301-K304 PolarHBondContact O-N 2.96Å; F302-K304 VanDerWaalsContact C-N 3.35Å |
| 305 | T | 71.8 | Confident | 83.4 | Confident | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 59% | 0.592 | S | S | * | * | trans | -53.3 | 146.3 | 171 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | E303 R307 | E303-T305 PolarHBondContact O-N 3.41Å; T305-R307 PolarHBondContact O-N 3.12Å | ||
| 306 | I | 71.3 | Confident | 83.4 | Confident | 154 Ų | 154 | 128.9 Ų | 128.9 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | trans | -60 | 98.1 | -178.7 | -62.9 | 174.1 | 0 | 0 | 0 | 108.9 | Y308 | I306-Y308 PolarHBondContact O-N 3.24Š| ||
| 307 | R | 80.1 | Confident | 83.4 | Confident | 141 Ų | 141 | 127 Ų | 127 | 53% | 0.532 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | 21.8 | 174.8 | -69.1 | -170 | -169.4 | 138 | -0.3 | 113.3 | T305 A309 S310 R311 | T305-R307 PolarHBondContact O-N 3.12Å; R307-A309 PolarHBondContact O-N 3.38Å; R307-S310 PolarHBondContact O-N 3.37Å; R307-S310 VanDerWaalsContact O-N 3.13Å; R307-S310 PolarHBondContact O-OG 2.89Å; R307-R311 WeakPolarHBondContact O-CG 3.43Å; R307-R311 PolarHBondContact O-N 3.01Å |
| 308 | Y | 82.8 | Confident | 83.6 | Confident | 157 Ų | 157 | 124.9 Ų | 124.9 | 62% | 0.616 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.4 | -38.2 | -178.7 | -171.2 | -102.3 | 0 | 0 | 0 | 110.6 | I306 S310 R311 K312 | I306-Y308 PolarHBondContact O-N 3.24Å; Y308-S310 PolarHBondContact O-N 2.81Å; Y308-R311 PolarHBondContact O-N 3.48Å; Y308-K312 HydrophobicContact CE1-CB 4.43Å; Y308-K312 HydrophobicContact CE1-CD 3.92Å; Y308-K312 WeakPolarHBondContact O-CB 3.39Å; Y308-K312 PolarHBondContact O-N 3.37Å |
| 309 | A | 82.9 | Confident | 83.8 | Confident | 79 Ų | 79 | 120.9 Ų | 120.9 | 65% | 0.653 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -55.9 | -48.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R307 K312 A313 | R307-A309 PolarHBondContact O-N 3.38Å; A309-K312 PolarHBondContact O-N 3.47Å; A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.37Å |
| 310 | S | 89.5 | Confident | 84.1 | Confident | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.8 | -40 | -179.6 | 82 | 0 | 0 | 0 | 0 | 112.6 | R307 Y308 K312 A313 Y314 | R307-S310 PolarHBondContact O-N 3.37Å; R307-S310 VanDerWaalsContact O-N 3.13Å; R307-S310 PolarHBondContact O-OG 2.89Å; Y308-S310 PolarHBondContact O-N 2.81Å; S310-K312 VanDerWaalsContact C-N 3.33Å; S310-K312 PolarHBondContact O-N 3.01Å; S310-A313 PolarHBondContact O-N 3.35Å; S310-Y314 WeakPolarHBondContact O-CB 3.25Å; S310-Y314 PolarHBondContact O-N 2.83Å |
| 311 | R | 89.8 | Confident | 84.2 | Confident | 181 Ų | 181 | 121 Ų | 121 | 68% | 0.683 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.4 | -37 | 176.6 | -70.5 | -179.8 | -175.4 | -109.6 | 3.3 | 111.5 | R307 Y308 A315 | R307-R311 WeakPolarHBondContact O-CG 3.43Å; R307-R311 PolarHBondContact O-N 3.01Å; Y308-R311 PolarHBondContact O-N 3.48Å; R311-A315 VanDerWaalsContact O-CB 3.25Å; R311-A315 WeakPolarHBondContact O-CB 3.43Å; R311-A315 PolarHBondContact O-N 3.34Å |
| 312 | K | 92.2 | Very high | 84.9 | Confident | 100 Ų | 100 | 122.6 Ų | 122.6 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.1 | -49.1 | 176.3 | -177.4 | 169.9 | 175.8 | -179.2 | 0 | 110.8 | Y308 A309 S310 Y314 A315 E316 | Y308-K312 HydrophobicContact CE1-CB 4.43Å; Y308-K312 HydrophobicContact CE1-CD 3.92Å; Y308-K312 WeakPolarHBondContact O-CB 3.39Å; Y308-K312 PolarHBondContact O-N 3.37Å; A309-K312 PolarHBondContact O-N 3.47Å; S310-K312 VanDerWaalsContact C-N 3.33Å; S310-K312 PolarHBondContact O-N 3.01Å; K312-Y314 VanDerWaalsContact C-N 3.32Å; K312-Y314 PolarHBondContact O-N 3.27Å; K312-A315 CarbonylContact O-C 3.58Å; K312-A315 PolarHBondContact O-N 3.5Å; K312-A315 VanDerWaalsContact O-N 3.1Å; K312-E316 WeakPolarHBondContact CE-OE1 3.45Å; K312-E316 HydrophobicContact CG-CG 4.4Å; K312-E316 VanDerWaalsContact CG-OE1 3.26Å; K312-E316 WeakPolarHBondContact CG-OE1 3.28Å; K312-E316 IonicContact NZ-OE1 3.97Å; K312-E316 WeakPolarHBondContact O-CB 3.49Å; K312-E316 VanDerWaalsContact O-CG 3.32Å; K312-E316 WeakPolarHBondContact O-CG 3.34Å; K312-E316 PolarHBondContact O-N 3.39Å |
| 313 | A | 91.7 | Very high | 85.7 | Confident | 49 Ų | 49 | 117.2 Ų | 117.2 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.2 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A309 S310 E316 T317 | A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 3.37Å; S310-A313 PolarHBondContact O-N 3.35Å; A313-E316 PolarHBondContact O-N 3.21Å; A313-T317 WeakPolarHBondContact O-CG2 3.47Å; A313-T317 PolarHBondContact O-N 3.14Å; A313-T317 VanDerWaalsContact O-N 3.08Å; A313-T317 PolarHBondContact O-OG1 3.13Å |
| 314 | Y | 91.1 | Very high | 86.3 | Confident | 147 Ų | 147 | 118.6 Ų | 118.6 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.4 | -38.3 | 175.2 | -174.1 | -112.9 | 0 | 0 | 0 | 112.7 | S310 K312 E316 T317 R318 | S310-Y314 WeakPolarHBondContact O-CB 3.25Å; S310-Y314 PolarHBondContact O-N 2.83Å; K312-Y314 VanDerWaalsContact C-N 3.32Å; K312-Y314 PolarHBondContact O-N 3.27Å; Y314-E316 VanDerWaalsContact C-N 3.35Å; Y314-T317 WeakPolarHBondContact CA-OG1 3.45Å; Y314-T317 PolarHBondContact O-OG1 3.33Å; Y314-R318 HydrophobicContact CE1-CG 4.29Å; Y314-R318 HydrophobicContact CE2-CG 4.35Å; Y314-R318 VanDerWaalsContact O-CG 3.28Å; Y314-R318 WeakPolarHBondContact O-CG 3.32Å; Y314-R318 PolarHBondContact O-N 2.98Å |
| 315 | A | 91.3 | Very high | 87.2 | Confident | 26 Ų | 26 | 116.4 Ų | 116.4 | 22% | 0.215 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -71 | -28.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R311 K312 R320 F325 | R311-A315 VanDerWaalsContact O-CB 3.25Å; R311-A315 WeakPolarHBondContact O-CB 3.43Å; R311-A315 PolarHBondContact O-N 3.34Å; K312-A315 CarbonylContact O-C 3.58Å; K312-A315 PolarHBondContact O-N 3.5Å; K312-A315 VanDerWaalsContact O-N 3.1Å; A315-R320 PolarHBondContact O-NE 3.5Å; A315-R320 PolarHBondContact O-NH2 2.88Å; A315-F325 HydrophobicContact CB-CE1 4.47Å; A315-F325 HydrophobicContact CB-CZ 3.91Å; A315-F325 WeakPolarHBondContact O-CE1 2.82Å |
| 316 | E | 90.9 | Very high | 87.9 | Confident | 125 Ų | 125 | 112 Ų | 112 | 58% | 0.584 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -78.1 | -35.2 | 177.1 | -74.1 | 168.3 | 173.8 | 0 | 0 | 111.9 | K312 A313 Y314 | K312-E316 WeakPolarHBondContact CE-OE1 3.45Å; K312-E316 HydrophobicContact CG-CG 4.4Å; K312-E316 VanDerWaalsContact CG-OE1 3.26Å; K312-E316 WeakPolarHBondContact CG-OE1 3.28Å; K312-E316 IonicContact NZ-OE1 3.97Å; K312-E316 WeakPolarHBondContact O-CB 3.49Å; K312-E316 VanDerWaalsContact O-CG 3.32Å; K312-E316 WeakPolarHBondContact O-CG 3.34Å; K312-E316 PolarHBondContact O-N 3.39Å; A313-E316 PolarHBondContact O-N 3.21Å; Y314-E316 VanDerWaalsContact C-N 3.35Å |
| 317 | T | 91.5 | Very high | 88.6 | Confident | 109 Ų | 109 | 113.1 Ų | 113.1 | 67% | 0.669 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -81.4 | -18.3 | -179.8 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | A313 Y314 | A313-T317 WeakPolarHBondContact O-CG2 3.47Å; A313-T317 PolarHBondContact O-N 3.14Å; A313-T317 VanDerWaalsContact O-N 3.08Å; A313-T317 PolarHBondContact O-OG1 3.13Å; Y314-T317 WeakPolarHBondContact CA-OG1 3.45Å; Y314-T317 PolarHBondContact O-OG1 3.33Å |
| 318 | R | 89.9 | Confident | 88.6 | Confident | 94 Ų | 94 | 117.2 Ų | 117.2 | 36% | 0.355 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -71.2 | 133.8 | 178.6 | -81.2 | 176.5 | 81 | 176.7 | 6.3 | 111.6 | Y314 R320 F325 | Y314-R318 HydrophobicContact CE1-CG 4.29Å; Y314-R318 HydrophobicContact CE2-CG 4.35Å; Y314-R318 VanDerWaalsContact O-CG 3.28Å; Y314-R318 WeakPolarHBondContact O-CG 3.32Å; Y314-R318 PolarHBondContact O-N 2.98Å; R318-R320 PolarHBondContact O-N 2.9Å; R318-F325 HydrophobicContact CB-CD1 3.55Å; R318-F325 HydrophobicContact CB-CE1 3.69Å; R318-F325 HydrophobicContact CG-CD1 4.46Å |
| 319 | P | 91.3 | Very high | 88.1 | Confident | 92 Ų | 92 | 114.2 Ų | 114.2 | 60% | 0.597 | 57% | 0.572 | S | S | * | * | trans | -59.4 | 138.9 | 175.9 | 23.8 | -32.6 | 0 | 0 | 0 | 110.6 | F325 A326 | P319-F325 WeakPolarHBondContact O-CA 3.46Å; P319-A326 HydrophobicContact CB-CB 4.17Å; P319-A326 HydrophobicContact CG-CB 4.17Å; P319-A326 PolarHBondContact O-N 2.91Å | ||
| 320 | R | 91.8 | Very high | 87 | Confident | 129 Ų | 129 | 115.8 Ų | 115.8 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.9 | 140.8 | -179.8 | -65.5 | 174.8 | -177 | -122.4 | 8.1 | 110 | A315 R318 R324 F325 | A315-R320 PolarHBondContact O-NE 3.5Å; A315-R320 PolarHBondContact O-NH2 2.88Å; R318-R320 PolarHBondContact O-N 2.9Å; R320-R324 CarbonylContact C-O 3.44Å; R320-R324 WeakPolarHBondContact CA-O 3.26Å; R320-R324 WeakPolarHBondContact CB-O 3.09Å; R320-F325 HydrophobicContact CG-CD1 3.88Å; R320-F325 HydrophobicContact CG-CE1 4.22Å |
| 321 | I | 84.8 | Confident | 85.2 | Confident | 123 Ų | 123 | 121.4 Ų | 121.4 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.2 | 173.1 | -58.4 | 169.5 | 0 | 0 | 0 | 106.2 | G323 R324 A326 | I321-G323 PolarHBondContact O-N 3.41Å; I321-G323 VanDerWaalsContact O-N 3.16Å; I321-R324 PolarHBondContact N-O 3.08Å; I321-R324 PolarHBondContact O-N 2.85Å; I321-A326 HydrophobicContact CD1-CB 3.86Å; I321-A326 HydrophobicContact CG1-CB 4.09Å |
| 322 | K | 88.6 | Confident | 83.4 | Confident | 214 Ų | 214 | 119.9 Ų | 119.9 | 93% | 0.93 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.5 | 41.9 | -178 | -159.8 | 174.1 | -179.3 | 174.4 | 0 | 113.2 | R324 | K322-R324 VanDerWaalsContact C-N 3.31Å; K322-R324 PolarHBondContact O-N 3.1Å |
| 323 | G | 88.4 | Confident | 81.3 | Confident | 57 Ų | 57 | 117.9 Ų | 117.9 | 59% | 0.588 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.8 | -10.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I321 | I321-G323 PolarHBondContact O-N 3.41Å; I321-G323 VanDerWaalsContact O-N 3.16Å |
| 324 | R | 88.3 | Confident | 79.1 | Confident | 204 Ų | 204 | 123.3 Ų | 123.3 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97 | 145.9 | 176.5 | -63.2 | 178.9 | -178.6 | -91.3 | -0.8 | 110.3 | R320 I321 K322 A326 | R320-R324 CarbonylContact C-O 3.44Å; R320-R324 WeakPolarHBondContact CA-O 3.26Å; R320-R324 WeakPolarHBondContact CB-O 3.09Å; I321-R324 PolarHBondContact N-O 3.08Å; I321-R324 PolarHBondContact O-N 2.85Å; K322-R324 VanDerWaalsContact C-N 3.31Å; K322-R324 PolarHBondContact O-N 3.1Å; R324-A326 PolarHBondContact O-N 2.8Å |
| 325 | F | 90.9 | Very high | 77.1 | Confident | 78 Ų | 78 | 121 Ų | 121 | 34% | 0.342 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.1 | 131.6 | 171.4 | -65.8 | -54.7 | 0 | 0 | 0 | 109.9 | A315 R318 P319 R320 K327 | A315-F325 HydrophobicContact CB-CE1 4.47Å; A315-F325 HydrophobicContact CB-CZ 3.91Å; A315-F325 WeakPolarHBondContact O-CE1 2.82Å; R318-F325 HydrophobicContact CB-CD1 3.55Å; R318-F325 HydrophobicContact CB-CE1 3.69Å; R318-F325 HydrophobicContact CG-CD1 4.46Å; P319-F325 WeakPolarHBondContact O-CA 3.46Å; R320-F325 HydrophobicContact CG-CD1 3.88Å; R320-F325 HydrophobicContact CG-CE1 4.22Å; F325-K327 PolarHBondContact O-N 3.35Å |
| 326 | A | 87.7 | Confident | 75.2 | Confident | 27 Ų | 27 | 127.1 Ų | 127.1 | 22% | 0.223 | 66% | 0.664 | C | S | . | * | P | Polyproline II helix | trans | -61.7 | 121.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | P319 I321 R324 | P319-A326 HydrophobicContact CB-CB 4.17Å; P319-A326 HydrophobicContact CG-CB 4.17Å; P319-A326 PolarHBondContact O-N 2.91Å; I321-A326 HydrophobicContact CD1-CB 3.86Å; I321-A326 HydrophobicContact CG1-CB 4.09Å; R324-A326 PolarHBondContact O-N 2.8Å |
| 327 | K | 85.2 | Confident | 73.5 | Confident | 176 Ų | 176 | 124.9 Ų | 124.9 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -76 | 122.7 | 163.4 | -164.8 | -176.9 | 176.5 | -166.8 | 0 | 105 | F325 A329 | F325-K327 PolarHBondContact O-N 3.35Å; K327-A329 PolarHBondContact O-N 2.82Å; K327-A329 VanDerWaalsContact O-N 3.17Å |
| 328 | R | 79.8 | Confident | 71.7 | Confident | 227 Ų | 227 | 126.4 Ų | 126.4 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 123.2 | 166.1 | -66.2 | 179.7 | 179.8 | -178 | -2.2 | 105 | D330 | R328-D330 PolarHBondContact O-N 3.03Å; R328-D330 VanDerWaalsContact O-N 3.14Å |
| 329 | A | 71.6 | Confident | 70 | Confident | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 119.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | K327 H331 | K327-A329 PolarHBondContact O-N 2.82Å; K327-A329 VanDerWaalsContact O-N 3.17Å; A329-H331 VanDerWaalsContact C-N 3.33Å; A329-H331 PolarHBondContact O-N 3.42Å |
| 330 | D | 60.4 | Low | 68 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | trans | -61.5 | 105.5 | 167 | -57.5 | -55 | 0 | 0 | 0 | 104.3 | R328 D332 | R328-D330 PolarHBondContact O-N 3.03Å; R328-D330 VanDerWaalsContact O-N 3.14Å; D330-D332 PolarHBondContact O-N 3.49Å | ||
| 331 | H | 52.5 | Low | 65.9 | Low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -74 | 68.3 | 172.6 | 178.9 | -64.6 | 0 | 0 | 0 | 107 | A329 | A329-H331 VanDerWaalsContact C-N 3.33Å; A329-H331 PolarHBondContact O-N 3.42Å | ||
| 332 | D | 51.7 | Low | 64.1 | Low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -134.2 | 94.6 | 173.1 | -65.4 | -50 | 0 | 0 | 0 | 105.7 | D330 | D330-D332 PolarHBondContact O-N 3.49Š| ||
| 333 | G | 47.9 | Very low | 62.3 | Low | 58 Ų | 58 | 130 Ų | 130 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 161.9 | 73.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 334 | D | 45.7 | Very low | 60.2 | Low | 163 Ų | 163 | 130.7 Ų | 130.7 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | trans | 35.8 | 97 | 133.4 | -48 | -40.4 | 0 | 0 | 0 | 116.5 | ||||
| 335 | A | 47.9 | Very low | 58.2 | Low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | trans | -145.8 | 108.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | D | 53.2 | Low | 56 | Low | 154 Ų | 154 | 130.4 Ų | 130.4 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -57.3 | 166 | 178.1 | -54.5 | -86.9 | 0 | 0 | 0 | 114.7 | ||||
| 337 | A | 54.2 | Low | 53.8 | Low | 78 Ų | 78 | 134.1 Ų | 134.1 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | trans | 85.7 | 104.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 338 | D | 53.5 | Low | 52.3 | Low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | 88.3 | 130.4 | 125.4 | -53.8 | -31.2 | 0 | 0 | 0 | 121.2 | |||||
| 339 | D | 54.6 | Low | 50.7 | Low | 153 Ų | 153 | 126.2 Ų | 126.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 75 | 101.2 | 151.2 | -50.6 | -38.8 | 0 | 0 | 0 | 120.3 | ||||
| 340 | A | 50 | Low | 49.6 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | 161.8 | 133.7 | 111.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 341 | E | 47.1 | Very low | 49.3 | Very low | 188 Ų | 188 | 128.1 Ų | 128.1 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -103.3 | 130.9 | -160.6 | -30.9 | -172.8 | -161 | 0 | 0 | 110 | ||||
| 342 | A | 47.8 | Very low | 48.8 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -159.8 | 91.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 343 | E | 50.6 | Low | 48.8 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 3.8 | 138 | 134 | -50.9 | -78.3 | 149.2 | 0 | 0 | 115.2 | ||||
| 344 | A | 44.4 | Very low | 48.7 | Very low | 73 Ų | 73 | 135 Ų | 135 | 60% | 0.603 | 80% | 0.796 | S | S | * | * | cis | -175.9 | 156.2 | 24.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 345 | E | 46.4 | Very low | 48.7 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 67.5 | 126.7 | 148.6 | -49.9 | -77.2 | 149.4 | 0 | 0 | 117.9 | ||||
| 346 | A | 43.2 | Very low | 48.6 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | cis | -168.1 | 161.6 | 12.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 347 | A | 41 | Very low | 48.4 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | 95.5 | 109.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 348 | V | 54.1 | Low | 48.4 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -115.2 | -172.6 | -172.1 | -159.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 349 | P | 47.8 | Very low | 48.4 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 66% | 0.656 | 81% | 0.807 | S | S | * | * | -120.8 | -173.8 | -95.5 | 39.7 | -22.3 | 0 | 0 | 0 | 113 | |||||
| 350 | M | 47 | Very low | 48.8 | Very low | 166 Ų | 166 | 139 Ų | 139 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -171.4 | 112.4 | 132.6 | -135.8 | 65.5 | -177.7 | 0 | 0 | 112.1 | ||||
| 351 | S | 54.8 | Low | 49.3 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 57% | 0.573 | 80% | 0.803 | S | S | * | * | 68.6 | 118.4 | 124.4 | 70.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 352 | Y | 42.1 | Very low | 50 | Low | 224 Ų | 224 | 136.2 Ų | 136.2 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | 39.9 | 130.2 | 132.1 | -55.7 | -85.5 | 0 | 0 | 0 | 117.6 | ||||
| 353 | V | 51.2 | Low | 50.9 | Low | 139 Ų | 139 | 137.2 Ų | 137.2 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | -162.9 | 135.8 | 69.6 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 354 | L | 45.9 | Very low | 51.1 | Low | 172 Ų | 172 | 141.5 Ų | 141.5 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -75.3 | 129.8 | 167.8 | -68.5 | 164 | 0 | 0 | 0 | 109.9 | ||||
| 355 | D | 46.5 | Very low | 51.4 | Low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -157.8 | 148.2 | 148.2 | -140.1 | -8.6 | 0 | 0 | 0 | 112.8 | ||||
| 356 | F | 44.4 | Very low | 51.7 | Low | 206 Ų | 206 | 142.8 Ų | 142.8 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -64.3 | 147.3 | -169.3 | -65.7 | -99.1 | 0 | 0 | 0 | 114.2 | ||||
| 357 | G | 49.5 | Very low | 52.2 | Low | 67 Ų | 67 | 145.7 Ų | 145.7 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 157.8 | 118.4 | 159 | 0 | 0 | 0 | 0 | 0 | 115.6 | G359 | G357-G359 PolarHBondContact O-N 3Š| ||
| 358 | Y | 54.3 | Low | 52.8 | Low | 234 Ų | 234 | 148.1 Ų | 148.1 | 92% | 0.918 | 82% | 0.821 | S | S | * | * | trans | -16.8 | 115.6 | 166.2 | -67.4 | -93.1 | 0 | 0 | 0 | 115.9 | V360 | Y358-V360 PolarHBondContact O-N 3.33Š| ||
| 359 | G | 52.9 | Low | 52.8 | Low | 82 Ų | 82 | 148.9 Ų | 148.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -62.2 | 101.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G357 | G357-G359 PolarHBondContact O-N 3Š| ||
| 360 | V | 64.5 | Low | 53.1 | Low | 133 Ų | 133 | 152.1 Ų | 152.1 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 123.6 | 161.7 | 175.5 | 0 | 0 | 0 | 0 | 107.6 | Y358 P362 | Y358-V360 PolarHBondContact O-N 3.33Å; V360-P362 WeakPolarHBondContact O-CD 3.48Å |
| 361 | V | 60.2 | Low | 53.5 | Low | 128 Ų | 128 | 151.1 Ų | 151.1 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 120.9 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | S363 | V361-S363 PolarHBondContact O-N 2.87Š|
| 362 | P | 61.6 | Low | 53.4 | Low | 106 Ų | 106 | 156.4 Ų | 156.4 | 69% | 0.688 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.5 | 173.1 | -18.8 | 32.3 | 0 | 0 | 0 | 110.3 | V360 | V360-P362 WeakPolarHBondContact O-CD 3.48Š|
| 363 | S | 66.5 | Low | 54.4 | Low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | trans | -89.6 | 115.6 | 163.4 | 42.3 | 0 | 0 | 0 | 0 | 108.4 | V361 | V361-S363 PolarHBondContact O-N 2.87Š| ||
| 364 | F | 55.2 | Low | 54.7 | Low | 274 Ų | 274 | 151.8 Ų | 151.8 | 100% | 1.202 | 85% | 0.851 | S | S | * | * | trans | -71.4 | 0 | 157.4 | -74.9 | -83.1 | 0 | 0 | 0 | 110.5 |
Retrieved 364 of 364 residues in 56.9 ms
(Link to these results)