| 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 | 41.3 | Very low | 52.1 | Low | 238 Ų | 238 | 129.5 Ų | 129.5 | 100% | 1.172 | 72% | 0.716 | S | S | * | * | 0 | 117.8 | 0 | -60.2 | 178.2 | -171.9 | 0 | 0 | 107.3 | V3 | M1-V3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 37.8 | Very low | 55 | Low | 103 Ų | 103 | 132.2 Ų | 132.2 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -73.7 | 117.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | N4 | A2-N4 PolarHBondContact O-N 3.39Š| ||
| 3 | V | 42.9 | Very low | 57.5 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -73.8 | 96.9 | 176.4 | -164.9 | 0 | 0 | 0 | 0 | 107.1 | M1 V5 | M1-V3 PolarHBondContact O-N 3.33Å; V3-V5 HydrophobicContact CB-CG2 4.31Å; V3-V5 HydrophobicContact CG1-CG2 3.73Å; V3-V5 PolarHBondContact O-N 2.97Å | ||
| 4 | N | 38.6 | Very low | 60 | Low | 140 Ų | 140 | 118.4 Ų | 118.4 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | trans | -70.9 | 73.2 | 173.2 | -173.8 | 59.7 | 0 | 0 | 0 | 109 | A2 T6 | A2-N4 PolarHBondContact O-N 3.39Å; N4-T6 PolarHBondContact O-N 3.25Å | ||
| 5 | V | 44.1 | Very low | 62.1 | Low | 108 Ų | 108 | 113.5 Ų | 113.5 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | trans | -66.8 | 90.7 | 167.9 | -177.2 | 0 | 0 | 0 | 0 | 105.9 | V3 | V3-V5 HydrophobicContact CB-CG2 4.31Å; V3-V5 HydrophobicContact CG1-CG2 3.73Å; V3-V5 PolarHBondContact O-N 2.97Å | ||
| 6 | T | 41.3 | Very low | 64 | Low | 85 Ų | 85 | 107 Ų | 107 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | trans | -50.1 | 135.1 | 161.3 | 50.7 | 0 | 0 | 0 | 0 | 106.8 | N4 I8 | N4-T6 PolarHBondContact O-N 3.25Å; T6-I8 PolarHBondContact O-N 3.39Å | ||
| 7 | P | 52.8 | Low | 65.7 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 79% | 0.786 | 56% | 0.557 | S | S | * | * | trans | -67.1 | 92.2 | 177.1 | 26.3 | -32.7 | 0 | 0 | 0 | 107.4 | R9 | P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 3.37Å | ||
| 8 | I | 55.2 | Low | 67.3 | Low | 138 Ų | 138 | 98.6 Ų | 98.6 | 71% | 0.708 | 53% | 0.527 | S | S | * | . | trans | -59.7 | 100.7 | 174.8 | -58.4 | 174 | 0 | 0 | 0 | 104.8 | T6 D10 | T6-I8 PolarHBondContact O-N 3.39Å; I8-D10 PolarHBondContact O-N 3.38Å | ||
| 9 | R | 67.6 | Low | 68.7 | Low | 222 Ų | 222 | 93.5 Ų | 93.5 | 84% | 0.838 | 50% | 0.5 | S | S | * | . | trans | -58.3 | 118.2 | 175.8 | -67.5 | 179.8 | 177.6 | -179.1 | -0.7 | 105.9 | P7 T11 | P7-R9 VanDerWaalsContact C-N 3.31Å; P7-R9 PolarHBondContact O-N 3.37Å; R9-T11 VanDerWaalsContact C-N 3.29Å; R9-T11 PolarHBondContact O-N 2.86Å | ||
| 10 | D | 69.1 | Low | 69.9 | Low | 68 Ų | 68 | 97.4 Ų | 97.4 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | trans | -57.7 | 91.7 | 177.6 | -96.8 | -68 | 0 | 0 | 0 | 109.6 | I8 K12 W13 | I8-D10 PolarHBondContact O-N 3.38Å; D10-K12 PolarHBondContact O-N 3.42Å; D10-W13 PolarHBondContact O-NE1 3.28Å | ||
| 11 | T | 82.3 | Confident | 71 | Confident | 75 Ų | 75 | 97.2 Ų | 97.2 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -73.8 | -12.3 | 175 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | R9 W13 L14 T15 | R9-T11 VanDerWaalsContact C-N 3.29Å; R9-T11 PolarHBondContact O-N 2.86Å; T11-W13 PolarHBondContact O-N 3.21Å; T11-L14 WeakPolarHBondContact O-CA 3.21Å; T11-L14 WeakPolarHBondContact O-CB 3.47Å; T11-L14 PolarHBondContact O-N 3.34Å; T11-T15 PolarHBondContact O-N 3.03Å |
| 12 | K | 86.9 | Confident | 73.5 | Confident | 161 Ų | 161 | 89.9 Ų | 89.9 | 70% | 0.7 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -57 | -42.6 | -177.3 | -165.1 | 173.4 | -175.6 | 176.3 | 0 | 112.8 | D10 L14 T15 | D10-K12 PolarHBondContact O-N 3.42Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.45Å; K12-T15 PolarHBondContact O-N 3.31Å; K12-T15 PolarHBondContact O-OG1 3.11Å |
| 13 | W | 88.1 | Confident | 76 | Confident | 54 Ų | 54 | 90 Ų | 90 | 21% | 0.205 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -74.1 | -15.6 | 177.3 | 72.8 | -95 | 0 | 0 | 0 | 113.6 | D10 T11 T15 F54 L57 L79 N86 | D10-W13 PolarHBondContact O-NE1 3.28Å; T11-W13 PolarHBondContact O-N 3.21Å; W13-T15 VanDerWaalsContact C-N 3.35Å; W13-F54 AromaticContact CH2-CD2 3.76Å; W13-F54 HydrophobicContact CH2-CD2 3.76Å; W13-F54 AromaticContact CH2-CE2 3.76Å; W13-F54 HydrophobicContact CH2-CE2 3.76Å; W13-F54 AromaticContact CZ2-CD2 3.88Å; W13-F54 HydrophobicContact CZ2-CD2 3.88Å; W13-F54 AromaticContact CZ2-CE2 3.8Å; W13-F54 HydrophobicContact CZ2-CE2 3.8Å; W13-L57 HydrophobicContact CZ3-CD1 4.2Å; W13-L79 WeakPolarHBondContact O-CD2 3.16Å; W13-N86 HydrophobicContact CB-CB 3.96Å; W13-N86 VanDerWaalsContact CD1-OD1 3.32Å; W13-N86 HydrophobicContact CG-CB 4.29Å |
| 14 | L | 91.5 | Very high | 78.3 | Confident | 17 Ų | 17 | 93.5 Ų | 93.5 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -86.4 | -2.8 | 173.6 | -70.6 | 165.1 | 0 | 0 | 0 | 113.1 | T11 K12 I51 A52 F54 L57 | T11-L14 WeakPolarHBondContact O-CA 3.21Å; T11-L14 WeakPolarHBondContact O-CB 3.47Å; T11-L14 PolarHBondContact O-N 3.34Å; K12-L14 VanDerWaalsContact C-N 3.26Å; K12-L14 PolarHBondContact O-N 3.45Å; L14-I51 HydrophobicContact CB-CG2 4.25Å; L14-A52 PolarHBondContact O-N 2.91Å; L14-F54 HydrophobicContact CD1-CB 4.26Å; L14-F54 HydrophobicContact CD1-CD2 4.27Å; L14-F54 HydrophobicContact CD2-CB 4.4Å; L14-F54 HydrophobicContact CD2-CD2 4.23Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å |
| 15 | T | 91.6 | Very high | 80.8 | Confident | 45 Ų | 45 | 90.2 Ų | 90.2 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 133.7 | 177.8 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | T11 K12 W13 V50 I51 | T11-T15 PolarHBondContact O-N 3.03Å; K12-T15 PolarHBondContact O-N 3.31Å; K12-T15 PolarHBondContact O-OG1 3.11Å; W13-T15 VanDerWaalsContact C-N 3.35Å; T15-V50 WeakPolarHBondContact CA-O 3.05Å; T15-I51 HydrophobicContact CG2-CG1 4.18Å |
| 16 | L | 92.8 | Very high | 83.2 | Confident | 10 Ų | 10 | 89.3 Ų | 89.3 | 5% | 0.052 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.9 | 168 | -74.8 | 173.7 | 0 | 0 | 0 | 110.2 | A37 R49 V50 L69 P71 L75 L79 | L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.35Å; L16-R49 CarbonylContact O-C 3.57Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.48Å; L16-V50 HydrophobicContact CB-CG1 4.3Å; L16-V50 PolarHBondContact N-O 3.18Å; L16-V50 PolarHBondContact O-N 3.11Å; L16-L69 HydrophobicContact CD1-CD2 4.1Å; L16-P71 HydrophobicContact CD1-CB 3.98Å; L16-L75 HydrophobicContact CD1-CB 4.06Å; L16-L75 HydrophobicContact CD1-CD1 4.22Å; L16-L75 HydrophobicContact CD2-CD2 4.3Å; L16-L79 HydrophobicContact CD1-CD1 3.66Å; L16-L79 HydrophobicContact CD1-CG 4.28Å; L16-L79 HydrophobicContact CD2-CD1 4.2Å; L16-L79 HydrophobicContact CD2-CD2 3.96Å; L16-L79 HydrophobicContact CD2-CG 3.89Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 3.99Å; L16-L79 HydrophobicContact CG-CG 4.03Å |
| 17 | E | 93.3 | Very high | 85.6 | Confident | 60 Ų | 60 | 86.3 Ų | 86.3 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.2 | 169.5 | -169.2 | 158.8 | 167.7 | 0 | 0 | 109.9 | R20 F36 A37 R49 | E17-R20 IonicContact OE1-NE 3.59Å; E17-R20 IonicContact OE1-NH2 3.33Å; E17-R20 PolarHBondContact OE1-NH2 3.07Å; E17-F36 HydrophobicContact CB-CD1 4.16Å; E17-F36 HydrophobicContact CG-CD1 4.28Å; E17-F36 HydrophobicContact CG-CE1 4.44Å; E17-A37 PolarHBondContact O-N 3.08Å; E17-A37 VanDerWaalsContact O-N 3.08Å; E17-R49 IonicContact OE2-CZ 3.42Å; E17-R49 IonicContact OE2-NH1 3.78Å; E17-R49 PolarHBondContact OE2-NH1 2.79Å; E17-R49 IonicContact OE2-NH2 3.4Å |
| 18 | V | 94.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 86.4 Ų | 86.4 | 1% | 0.012 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 143.9 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 109.8 | R20 Q23 A37 P39 V45 G48 V50 | V18-R20 PolarHBondContact O-N 3.25Å; V18-Q23 HydrophobicContact CG1-CG 3.79Å; V18-A37 WeakPolarHBondContact CA-O 3.23Å; V18-P39 HydrophobicContact CB-CG 4.45Å; V18-P39 VanDerWaalsContact CG1-CD 3.48Å; V18-P39 HydrophobicContact CG1-CG 3.68Å; V18-P39 HydrophobicContact CG2-CG 3.87Å; V18-V45 HydrophobicContact CG2-CG1 4.03Å; V18-V45 HydrophobicContact CG2-CG2 4.31Å; V18-G48 WeakPolarHBondContact CB-O 3.5Å; V18-G48 PolarHBondContact N-O 3.28Å; V18-V50 HydrophobicContact CG2-CB 3.82Å; V18-V50 HydrophobicContact CG2-CG1 3.62Å |
| 19 | C | 94.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 86.8 Ų | 86.8 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 120.1 | 178.9 | -176 | 0 | 0 | 0 | 0 | 111.5 | E21 F22 Q23 C34 F36 A37 H38 | C19-E21 VanDerWaalsContact C-N 3.32Å; C19-E21 PolarHBondContact O-N 3.48Å; C19-F22 HydrophobicContact CB-CB 3.65Å; C19-F22 PolarHBondContact O-N 3.2Å; C19-Q23 PolarHBondContact O-N 3.25Å; C19-C34 VanDerWaalsContact SG-SG 3.68Å; C19-F36 VanDerWaalsContact CA-CB 3.46Å; C19-F36 HydrophobicContact CB-CB 3.65Å; C19-A37 PolarHBondContact N-O 3.42Å; C19-H38 WeakPolarHBondContact CB-CD2 3.4Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.38Å |
| 20 | R | 92.1 | Very high | 90.4 | Very high | 171 Ų | 171 | 79.3 Ų | 79.3 | 65% | 0.645 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.5 | -31.7 | 180 | -64 | -173.8 | -174.5 | -163.5 | 0.6 | 112.9 | E17 V18 R24 | E17-R20 IonicContact OE1-NE 3.59Å; E17-R20 IonicContact OE1-NH2 3.33Å; E17-R20 PolarHBondContact OE1-NH2 3.07Å; V18-R20 PolarHBondContact O-N 3.25Å; R20-R24 WeakPolarHBondContact O-CG 3.24Å; R20-R24 PolarHBondContact O-N 3.21Å |
| 21 | E | 94.2 | Very high | 91.2 | Very high | 95 Ų | 95 | 78.2 Ų | 78.2 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 173.2 | -65.9 | 165.5 | -141.7 | 0 | 0 | 110.7 | C19 R24 G25 T26 C27 | C19-E21 VanDerWaalsContact C-N 3.32Å; C19-E21 PolarHBondContact O-N 3.48Å; E21-R24 CarbonylContact O-C 3.55Å; E21-R24 WeakPolarHBondContact O-CA 3.48Å; E21-R24 PolarHBondContact O-N 2.92Å; E21-R24 VanDerWaalsContact O-N 3.09Å; E21-G25 PolarHBondContact O-N 3.02Å; E21-T26 PolarHBondContact O-N 3.16Å; E21-T26 PolarHBondContact O-OG1 3.32Å; E21-C27 HydrophobicContact CB-CB 3.57Å; E21-C27 PolarHBondContact O-N 3.09Å |
| 22 | F | 92.7 | Very high | 91.6 | Very high | 84 Ų | 84 | 80 Ų | 80 | 37% | 0.368 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 178.2 | -177 | -102.7 | 0 | 0 | 0 | 111.7 | C19 R24 G25 C27 H38 P39 | C19-F22 HydrophobicContact CB-CB 3.65Å; C19-F22 PolarHBondContact O-N 3.2Å; F22-R24 PolarHBondContact O-N 2.9Å; F22-R24 VanDerWaalsContact O-N 3.16Å; F22-G25 PolarHBondContact O-N 2.95Å; F22-C27 HydrophobicContact CB-CB 4.08Å; F22-H38 HydrophobicContact CD1-CB 4.13Å; F22-H38 HydrophobicContact CD2-CB 4.11Å; F22-H38 AromaticContact CD2-CD2 3.94Å; F22-H38 AromaticContact CD2-CE1 3.84Å; F22-H38 AromaticContact CD2-CG 3.65Å; F22-H38 AromaticContact CD2-ND1 3.59Å; F22-H38 HydrophobicContact CE1-CB 4.04Å; F22-H38 HydrophobicContact CE2-CB 4.02Å; F22-H38 AromaticContact CE2-ND1 3.97Å; F22-H38 HydrophobicContact CG-CB 4.17Å; F22-H38 AromaticContact CG-CD2 3.67Å; F22-H38 AromaticContact CG-CG 3.75Å; F22-H38 AromaticContact CG-NE2 3.98Å; F22-H38 HydrophobicContact CZ-CB 3.98Å; F22-P39 WeakPolarHBondContact CE1-O 3.33Å |
| 23 | Q | 90.1 | Very high | 91.7 | Very high | 105 Ų | 105 | 78.8 Ų | 78.8 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58 | -25.2 | 170.6 | -72.7 | 175.7 | 6.8 | 0 | 0 | 113.3 | V18 C19 | V18-Q23 HydrophobicContact CG1-CG 3.79Å; C19-Q23 PolarHBondContact O-N 3.25Å |
| 24 | R | 91.4 | Very high | 91.9 | Very high | 201 Ų | 201 | 76.4 Ų | 76.4 | 76% | 0.758 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -1.3 | 177.2 | -68 | 176.5 | -177.2 | -79.7 | -1.4 | 113.5 | R20 E21 F22 T26 | R20-R24 WeakPolarHBondContact O-CG 3.24Å; R20-R24 PolarHBondContact O-N 3.21Å; E21-R24 CarbonylContact O-C 3.55Å; E21-R24 WeakPolarHBondContact O-CA 3.48Å; E21-R24 PolarHBondContact O-N 2.92Å; E21-R24 VanDerWaalsContact O-N 3.09Å; F22-R24 PolarHBondContact O-N 2.9Å; F22-R24 VanDerWaalsContact O-N 3.16Å; R24-T26 HydrophobicContact CB-CG2 4.29Å; R24-T26 PolarHBondContact O-N 2.99Å |
| 25 | G | 90.7 | Very high | 91.9 | Very high | 71 Ų | 71 | 82.3 Ų | 82.3 | 73% | 0.732 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 12.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E21 F22 | E21-G25 PolarHBondContact O-N 3.02Å; F22-G25 PolarHBondContact O-N 2.95Å |
| 26 | T | 94.1 | Very high | 92 | Very high | 88 Ų | 88 | 83.6 Ų | 83.6 | 54% | 0.54 | 42% | 0.417 | S | S | . | . | trans | -103.2 | -1.5 | -175.5 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | E21 R24 S28 | E21-T26 PolarHBondContact O-N 3.16Å; E21-T26 PolarHBondContact O-OG1 3.32Å; R24-T26 HydrophobicContact CB-CG2 4.29Å; R24-T26 PolarHBondContact O-N 2.99Å; T26-S28 PolarHBondContact O-N 3.37Å | ||
| 27 | C | 92.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 83.1 Ų | 83.1 | 16% | 0.155 | 41% | 0.414 | C | S | . | . | trans | -81.3 | 114.2 | -178.9 | -158.4 | 0 | 0 | 0 | 0 | 111.5 | E21 F22 | E21-C27 HydrophobicContact CB-CB 3.57Å; E21-C27 PolarHBondContact O-N 3.09Å; F22-C27 HydrophobicContact CB-CB 4.08Å | ||
| 28 | S | 92.5 | Very high | 91.9 | Very high | 123 Ų | 123 | 81.4 Ų | 81.4 | 86% | 0.86 | 41% | 0.406 | S | S | * | . | trans | -89.5 | 2.8 | 175.8 | -48.2 | 0 | 0 | 0 | 0 | 114 | T26 | T26-S28 PolarHBondContact O-N 3.37Š| ||
| 29 | R | 93.2 | Very high | 91.7 | Very high | 146 Ų | 146 | 82 Ų | 82 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -89 | 138.1 | -178.1 | -62.9 | 178.8 | -177.9 | -84.7 | -4.2 | 110.7 | C34 H38 | R29-C34 HydrophobicContact CB-CB 4.22Å; R29-H38 PolarHBondContact O-CE1 3.04Å; R29-H38 VanDerWaalsContact O-CE1 3.25Å |
| 30 | P | 89.5 | Confident | 91.3 | Very high | 65 Ų | 65 | 84.7 Ų | 84.7 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | trans | -67.1 | 154.6 | 170.3 | 30 | -34.2 | 0 | 0 | 0 | 110.5 | N32 E33 C34 | P30-N32 PolarHBondContact O-N 3.24Å; P30-E33 HydrophobicContact CG-CB 3.97Å; P30-E33 HydrophobicContact CG-CG 3.9Å; P30-E33 PolarHBondContact O-N 3.32Å; P30-C34 PolarHBondContact O-N 3.16Å | ||
| 31 | D | 87.8 | Confident | 90.7 | Very high | 45 Ų | 45 | 87.2 Ų | 87.2 | 24% | 0.241 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.9 | -179.5 | -176.6 | -115.9 | 0 | 0 | 0 | 112.3 | E33 C34 H38 P72 H74 | D31-E33 VanDerWaalsContact C-N 3.26Å; D31-E33 PolarHBondContact O-N 3.01Å; D31-C34 PolarHBondContact O-N 3.41Å; D31-H38 HydrophobicContact CB-CB 4.2Å; D31-H38 WeakPolarHBondContact OD2-CB 3.33Å; D31-H38 IonicContact OD2-CG 2.99Å; D31-H38 PolarHBondContact OD2-N 3.13Å; D31-P72 WeakPolarHBondContact O-CG 3.43Å; D31-P72 VanDerWaalsContact OD1-CD 3.24Å; D31-P72 WeakPolarHBondContact OD1-CD 3.34Å; D31-P72 WeakPolarHBondContact OD1-CG 3.45Å; D31-H74 PolarHBondContact O-CE1 3.31Å; D31-H74 VanDerWaalsContact O-CE1 3.28Å |
| 32 | N | 89.3 | Confident | 89.9 | Confident | 112 Ų | 112 | 86.4 Ų | 86.4 | 60% | 0.599 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.8 | 174 | -73.9 | -31.7 | 0 | 0 | 0 | 115.3 | P30 P72 H74 | P30-N32 PolarHBondContact O-N 3.24Å; N32-P72 WeakPolarHBondContact OD1-CB 3.5Å; N32-H74 VanDerWaalsContact C-CE1 3.47Å; N32-H74 PolarHBondContact O-CE1 2.8Å |
| 33 | E | 90.6 | Very high | 89.5 | Confident | 135 Ų | 135 | 83.2 Ų | 83.2 | 63% | 0.631 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -16.2 | 179.7 | -66.9 | 175.2 | -144.5 | 0 | 0 | 112.8 | P30 D31 K35 | P30-E33 HydrophobicContact CG-CB 3.97Å; P30-E33 HydrophobicContact CG-CG 3.9Å; P30-E33 PolarHBondContact O-N 3.32Å; D31-E33 VanDerWaalsContact C-N 3.26Å; D31-E33 PolarHBondContact O-N 3.01Å; E33-K35 PolarHBondContact O-N 2.83Å |
| 34 | C | 92.1 | Very high | 89 | Confident | 4 Ų | 4 | 84.4 Ų | 84.4 | 3% | 0.027 | 45% | 0.446 | C | S | . | . | trans | -69.9 | 133.8 | 178.7 | -163.8 | 0 | 0 | 0 | 0 | 110.4 | C19 R29 P30 D31 F36 H38 H74 | C19-C34 VanDerWaalsContact SG-SG 3.68Å; R29-C34 HydrophobicContact CB-CB 4.22Å; P30-C34 PolarHBondContact O-N 3.16Å; D31-C34 PolarHBondContact O-N 3.41Å; C34-F36 PolarHBondContact O-N 3.25Å; C34-F36 PolarHBondContact SG-O 2.7Å; C34-H38 PolarHBondContact SG-NE2 3.42Å; C34-H74 PolarHBondContact O-NE2 3.05Å | ||
| 35 | K | 90.8 | Very high | 88.8 | Confident | 142 Ų | 142 | 78 Ų | 78 | 62% | 0.617 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -67.6 | -14.2 | 176.3 | 176.7 | 176.4 | 172.6 | -59.4 | 0 | 112.9 | E33 | E33-K35 PolarHBondContact O-N 2.83Š|
| 36 | F | 92.8 | Very high | 88.5 | Confident | 71 Ų | 71 | 81.3 Ų | 81.3 | 31% | 0.311 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -129.2 | 152.5 | -173.9 | -59.7 | -81.1 | 0 | 0 | 0 | 109.9 | E17 C19 C34 | E17-F36 HydrophobicContact CB-CD1 4.16Å; E17-F36 HydrophobicContact CG-CD1 4.28Å; E17-F36 HydrophobicContact CG-CE1 4.44Å; C19-F36 VanDerWaalsContact CA-CB 3.46Å; C19-F36 HydrophobicContact CB-CB 3.65Å; C34-F36 PolarHBondContact O-N 3.25Å; C34-F36 PolarHBondContact SG-O 2.7Å |
| 37 | A | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 138.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | L16 E17 V18 C19 P39 V50 L69 L75 | L16-A37 HydrophobicContact CB-CB 4.12Å; L16-A37 HydrophobicContact CD1-CB 4.35Å; E17-A37 PolarHBondContact O-N 3.08Å; E17-A37 VanDerWaalsContact O-N 3.08Å; V18-A37 WeakPolarHBondContact CA-O 3.23Å; C19-A37 PolarHBondContact N-O 3.42Å; A37-P39 WeakPolarHBondContact O-CD 3.36Å; A37-V50 HydrophobicContact CB-CG1 3.9Å; A37-L69 HydrophobicContact CB-CD2 3.43Å; A37-L69 VanDerWaalsContact CB-CD2 3.43Å; A37-L75 HydrophobicContact CB-CD1 4.35Å |
| 38 | H | 92.1 | Very high | 87.9 | Confident | 25 Ų | 25 | 84.6 Ų | 84.6 | 12% | 0.116 | 45% | 0.445 | C | S | . | . | trans | -103.5 | 89.2 | 167.7 | -66.8 | -176.1 | 0 | 0 | 0 | 110.6 | C19 F22 R29 D31 C34 | C19-H38 WeakPolarHBondContact CB-CD2 3.4Å; C19-H38 VanDerWaalsContact CB-NE2 3.33Å; C19-H38 WeakPolarHBondContact CB-NE2 3.38Å; F22-H38 HydrophobicContact CD1-CB 4.13Å; F22-H38 HydrophobicContact CD2-CB 4.11Å; F22-H38 AromaticContact CD2-CD2 3.94Å; F22-H38 AromaticContact CD2-CE1 3.84Å; F22-H38 AromaticContact CD2-CG 3.65Å; F22-H38 AromaticContact CD2-ND1 3.59Å; F22-H38 HydrophobicContact CE1-CB 4.04Å; F22-H38 HydrophobicContact CE2-CB 4.02Å; F22-H38 AromaticContact CE2-ND1 3.97Å; F22-H38 HydrophobicContact CG-CB 4.17Å; F22-H38 AromaticContact CG-CD2 3.67Å; F22-H38 AromaticContact CG-CG 3.75Å; F22-H38 AromaticContact CG-NE2 3.98Å; F22-H38 HydrophobicContact CZ-CB 3.98Å; R29-H38 PolarHBondContact O-CE1 3.04Å; R29-H38 VanDerWaalsContact O-CE1 3.25Å; D31-H38 HydrophobicContact CB-CB 4.2Å; D31-H38 WeakPolarHBondContact OD2-CB 3.33Å; D31-H38 IonicContact OD2-CG 2.99Å; D31-H38 PolarHBondContact OD2-N 3.13Å; C34-H38 PolarHBondContact SG-NE2 3.42Å | ||
| 39 | P | 90.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 84.2 Ų | 84.2 | 10% | 0.097 | 43% | 0.425 | C | S | . | . | trans | -69.1 | 138.5 | -179.2 | 29.3 | -35.5 | 0 | 0 | 0 | 112.1 | V18 F22 A37 C43 V45 V50 | V18-P39 HydrophobicContact CB-CG 4.45Å; V18-P39 VanDerWaalsContact CG1-CD 3.48Å; V18-P39 HydrophobicContact CG1-CG 3.68Å; V18-P39 HydrophobicContact CG2-CG 3.87Å; F22-P39 WeakPolarHBondContact CE1-O 3.33Å; A37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-C43 HydrophobicContact CB-CB 3.88Å; P39-V45 HydrophobicContact CB-CG2 3.92Å; P39-V45 HydrophobicContact CG-CG2 3.66Å; P39-V50 HydrophobicContact CB-CG2 4.23Å | ||
| 40 | A | 85.2 | Confident | 87.8 | Confident | 58 Ų | 58 | 77.4 Ų | 77.4 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | trans | -65.7 | 157.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S42 C43 | A40-S42 PolarHBondContact O-N 3.01Å; A40-C43 WeakPolarHBondContact O-CB 3.2Å; A40-C43 PolarHBondContact O-N 3.24Å | ||
| 41 | K | 80.3 | Confident | 87.9 | Confident | 224 Ų | 224 | 76.7 Ų | 76.7 | 97% | 0.974 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.9 | -179 | -62 | -179.3 | -178.8 | 178.7 | 0 | 114.5 | ||
| 42 | S | 77.6 | Confident | 88.1 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -14.1 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | A40 | A40-S42 PolarHBondContact O-N 3.01Š|
| 43 | C | 83.7 | Confident | 88.2 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -79.6 | 135.3 | -177.3 | -70.1 | 0 | 0 | 0 | 0 | 111 | P39 A40 V45 V50 | P39-C43 HydrophobicContact CB-CB 3.88Å; A40-C43 WeakPolarHBondContact O-CB 3.2Å; A40-C43 PolarHBondContact O-N 3.24Å; C43-V45 PolarHBondContact O-N 2.98Å; C43-V50 HydrophobicContact CB-CG2 4.08Å |
| 44 | Q | 80.1 | Confident | 88.2 | Confident | 129 Ų | 129 | 67.3 Ų | 67.3 | 60% | 0.603 | 34% | 0.342 | S | S | * | . | trans | -72.5 | 111.8 | 174 | -69 | -173.8 | -37.8 | 0 | 0 | 110.1 | ||||
| 45 | V | 87.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 71 Ų | 71 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | V18 P39 C43 R49 V50 | V18-V45 HydrophobicContact CG2-CG1 4.03Å; V18-V45 HydrophobicContact CG2-CG2 4.31Å; P39-V45 HydrophobicContact CB-CG2 3.92Å; P39-V45 HydrophobicContact CG-CG2 3.66Å; C43-V45 PolarHBondContact O-N 2.98Å; V45-R49 CarbonylContact C-O 3.44Å; V45-R49 WeakPolarHBondContact CA-O 3.33Å; V45-V50 HydrophobicContact CG2-CB 4.47Å |
| 46 | E | 83.6 | Confident | 88.2 | Confident | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.2 | -178.2 | -172 | 179.2 | 174.2 | 0 | 0 | 109 | G48 R49 | E46-G48 PolarHBondContact O-N 3.47Å; E46-G48 VanDerWaalsContact O-N 3.13Å; E46-R49 PolarHBondContact N-O 3.14Å; E46-R49 PolarHBondContact O-N 2.86Å |
| 47 | N | 86.5 | Confident | 88.1 | Confident | 153 Ų | 153 | 62.1 Ų | 62.1 | 82% | 0.818 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36.3 | -178.5 | -66.8 | -65 | 0 | 0 | 0 | 114.4 | R49 | N47-R49 PolarHBondContact O-N 3.04Š|
| 48 | G | 87.7 | Confident | 87.9 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 28% | 0.278 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V18 E46 | V18-G48 WeakPolarHBondContact CB-O 3.5Å; V18-G48 PolarHBondContact N-O 3.28Å; E46-G48 PolarHBondContact O-N 3.47Å; E46-G48 VanDerWaalsContact O-N 3.13Å |
| 49 | R | 91.3 | Very high | 87.7 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 154.9 | 173.6 | -56.5 | -171.9 | -167.1 | -69.7 | -8.1 | 110.6 | L16 E17 V45 E46 N47 | L16-R49 CarbonylContact O-C 3.57Å; L16-R49 WeakPolarHBondContact O-CA 3.49Å; L16-R49 WeakPolarHBondContact O-CB 3.48Å; E17-R49 IonicContact OE2-CZ 3.42Å; E17-R49 IonicContact OE2-NH1 3.78Å; E17-R49 PolarHBondContact OE2-NH1 2.79Å; E17-R49 IonicContact OE2-NH2 3.4Å; V45-R49 CarbonylContact C-O 3.44Å; V45-R49 WeakPolarHBondContact CA-O 3.33Å; E46-R49 PolarHBondContact N-O 3.14Å; E46-R49 PolarHBondContact O-N 2.86Å; N47-R49 PolarHBondContact O-N 3.04Å |
| 50 | V | 92.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 78.8 Ų | 78.8 | 1% | 0.012 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.6 | 176.7 | 61.5 | 0 | 0 | 0 | 0 | 109.4 | T15 L16 V18 A37 P39 C43 V45 L69 | T15-V50 WeakPolarHBondContact CA-O 3.05Å; L16-V50 HydrophobicContact CB-CG1 4.3Å; L16-V50 PolarHBondContact N-O 3.18Å; L16-V50 PolarHBondContact O-N 3.11Å; V18-V50 HydrophobicContact CG2-CB 3.82Å; V18-V50 HydrophobicContact CG2-CG1 3.62Å; A37-V50 HydrophobicContact CB-CG1 3.9Å; P39-V50 HydrophobicContact CB-CG2 4.23Å; C43-V50 HydrophobicContact CB-CG2 4.08Å; V45-V50 HydrophobicContact CG2-CB 4.47Å; V50-L69 HydrophobicContact CG1-CB 4.42Å; V50-L69 HydrophobicContact CG1-CD2 3.73Å; V50-L69 HydrophobicContact CG2-CB 4.02Å |
| 51 | I | 91.6 | Very high | 88 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.6 | 177 | -60.1 | 168.4 | 0 | 0 | 0 | 108.9 | L14 T15 Y68 L69 | L14-I51 HydrophobicContact CB-CG2 4.25Å; T15-I51 HydrophobicContact CG2-CG1 4.18Å; I51-Y68 HydrophobicContact CB-CD1 3.95Å; I51-Y68 HydrophobicContact CB-CE1 4.32Å; I51-Y68 HydrophobicContact CG2-CD1 3.73Å; I51-Y68 HydrophobicContact CG2-CE1 3.97Å; I51-L69 PolarHBondContact O-N 3.34Å; I51-L69 VanDerWaalsContact O-N 3.11Å |
| 52 | A | 91.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 2% | 0.017 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 148.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L14 F54 L69 P71 L79 | L14-A52 PolarHBondContact O-N 2.91Å; A52-F54 PolarHBondContact O-N 2.84Å; A52-L69 CarbonylContact C-O 3.43Å; A52-L69 WeakPolarHBondContact CA-O 3.28Å; A52-P71 HydrophobicContact CB-CG 4.24Å; A52-L79 HydrophobicContact CB-CD1 3.39Å |
| 53 | C | 91.7 | Very high | 89 | Confident | 2 Ų | 2 | 77 Ų | 77 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | trans | -71.7 | 112.4 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | D55 S56 L57 C66 L69 H70 | C53-D55 VanDerWaalsContact C-N 3.28Å; C53-D55 PolarHBondContact O-N 3.48Å; C53-S56 WeakPolarHBondContact CB-OG 3.49Å; C53-S56 WeakPolarHBondContact O-CB 3.12Å; C53-S56 PolarHBondContact O-N 3.42Å; C53-S56 VanDerWaalsContact O-N 3.08Å; C53-S56 PolarHBondContact O-OG 3.08Å; C53-S56 PolarHBondContact SG-N 3.22Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; C53-L57 PolarHBondContact O-N 2.95Å; C53-L57 VanDerWaalsContact O-N 3.16Å; C53-C66 VanDerWaalsContact SG-SG 3.62Å; C53-L69 PolarHBondContact N-O 2.88Å; C53-H70 VanDerWaalsContact CB-CD2 3.5Å; C53-H70 WeakPolarHBondContact CB-CD2 3.41Å | ||
| 54 | F | 90.6 | Very high | 88.7 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 40% | 0.395 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.7 | -42 | 176.9 | -179.1 | -91.8 | 0 | 0 | 0 | 112.4 | W13 L14 A52 S56 L57 K58 | W13-F54 AromaticContact CH2-CD2 3.76Å; W13-F54 HydrophobicContact CH2-CD2 3.76Å; W13-F54 AromaticContact CH2-CE2 3.76Å; W13-F54 HydrophobicContact CH2-CE2 3.76Å; W13-F54 AromaticContact CZ2-CD2 3.88Å; W13-F54 HydrophobicContact CZ2-CD2 3.88Å; W13-F54 AromaticContact CZ2-CE2 3.8Å; W13-F54 HydrophobicContact CZ2-CE2 3.8Å; L14-F54 HydrophobicContact CD1-CB 4.26Å; L14-F54 HydrophobicContact CD1-CD2 4.27Å; L14-F54 HydrophobicContact CD2-CB 4.4Å; L14-F54 HydrophobicContact CD2-CD2 4.23Å; A52-F54 PolarHBondContact O-N 2.84Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 2.96Å; F54-L57 WeakPolarHBondContact O-CB 3.49Å; F54-L57 PolarHBondContact O-N 2.85Å; F54-K58 HydrophobicContact CD1-CG 4.41Å; F54-K58 HydrophobicContact CE1-CG 4.01Å; F54-K58 HydrophobicContact CZ-CG 4.29Å; F54-K58 PolarHBondContact O-N 3.21Å; F54-K58 VanDerWaalsContact O-N 3.13Å |
| 55 | D | 91.4 | Very high | 88.8 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 178.9 | -58.7 | -70.5 | 0 | 0 | 0 | 112.4 | C53 K58 G59 R60 C61 | C53-D55 VanDerWaalsContact C-N 3.28Å; C53-D55 PolarHBondContact O-N 3.48Å; D55-K58 CarbonylContact O-C 3.5Å; D55-K58 PolarHBondContact O-N 3.46Å; D55-G59 PolarHBondContact O-N 3.18Å; D55-R60 HydrophobicContact CB-CB 4.44Å; D55-R60 PolarHBondContact O-N 3.36Å; D55-C61 HydrophobicContact CB-CB 3.87Å; D55-C61 PolarHBondContact O-N 3.37Å |
| 56 | S | 91 | Very high | 88.8 | Confident | 21 Ų | 21 | 82.3 Ų | 82.3 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 173.5 | 79.7 | 0 | 0 | 0 | 0 | 112.1 | C53 F54 K58 G59 H70 P71 | C53-S56 WeakPolarHBondContact CB-OG 3.49Å; C53-S56 WeakPolarHBondContact O-CB 3.12Å; C53-S56 PolarHBondContact O-N 3.42Å; C53-S56 VanDerWaalsContact O-N 3.08Å; C53-S56 PolarHBondContact O-OG 3.08Å; C53-S56 PolarHBondContact SG-N 3.22Å; C53-S56 VanDerWaalsContact SG-N 3.42Å; F54-S56 VanDerWaalsContact C-N 3.31Å; F54-S56 PolarHBondContact O-N 2.96Å; S56-K58 PolarHBondContact O-N 3.42Å; S56-G59 PolarHBondContact O-N 2.97Å; S56-H70 VanDerWaalsContact CB-CD2 3.47Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; S56-P71 WeakPolarHBondContact OG-CD 3.4Å |
| 57 | L | 90.7 | Very high | 89 | Confident | 6 Ų | 6 | 80.5 Ų | 80.5 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 172.1 | -61.7 | 174 | 0 | 0 | 0 | 110.3 | W13 L14 C53 F54 P71 K76 L79 | W13-L57 HydrophobicContact CZ3-CD1 4.2Å; L14-L57 HydrophobicContact CD2-CD1 3.49Å; L14-L57 VanDerWaalsContact CD2-CD1 3.49Å; C53-L57 PolarHBondContact O-N 2.95Å; C53-L57 VanDerWaalsContact O-N 3.16Å; F54-L57 WeakPolarHBondContact O-CB 3.49Å; F54-L57 PolarHBondContact O-N 2.85Å; L57-P71 HydrophobicContact CD2-CG 3.66Å; L57-K76 HydrophobicContact CD2-CB 4Å; L57-K76 HydrophobicContact CD2-CD 4.47Å; L57-K76 HydrophobicContact CD2-CG 3.77Å; L57-K76 WeakPolarHBondContact O-CE 3.43Å; L57-K76 PolarHBondContact O-NZ 3.44Å; L57-L79 HydrophobicContact CD1-CB 4.14Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.09Å; L57-L79 HydrophobicContact CD2-CD1 3.94Å |
| 58 | K | 88.5 | Confident | 89.2 | Confident | 120 Ų | 120 | 78 Ų | 78 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.4 | 175.9 | -60.6 | -54.2 | -176.3 | -174.9 | 0 | 115.2 | F54 D55 S56 R60 | F54-K58 HydrophobicContact CD1-CG 4.41Å; F54-K58 HydrophobicContact CE1-CG 4.01Å; F54-K58 HydrophobicContact CZ-CG 4.29Å; F54-K58 PolarHBondContact O-N 3.21Å; F54-K58 VanDerWaalsContact O-N 3.13Å; D55-K58 CarbonylContact O-C 3.5Å; D55-K58 PolarHBondContact O-N 3.46Å; S56-K58 PolarHBondContact O-N 3.42Å; K58-R60 HydrophobicContact CB-CG 4.32Å; K58-R60 PolarHBondContact O-N 3.42Å |
| 59 | G | 88.3 | Confident | 89.4 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 68% | 0.68 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 23 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D55 S56 | D55-G59 PolarHBondContact O-N 3.18Å; S56-G59 PolarHBondContact O-N 2.97Å |
| 60 | R | 91 | Very high | 89.4 | Confident | 203 Ų | 203 | 75.2 Ų | 75.2 | 77% | 0.766 | 37% | 0.373 | S | S | * | . | trans | -110.7 | -7.6 | -177.9 | -62.9 | -176.2 | -177.3 | -177.6 | -2.2 | 113.9 | D55 K58 S62 | D55-R60 HydrophobicContact CB-CB 4.44Å; D55-R60 PolarHBondContact O-N 3.36Å; K58-R60 HydrophobicContact CB-CG 4.32Å; K58-R60 PolarHBondContact O-N 3.42Å; R60-S62 PolarHBondContact O-N 2.98Å | ||
| 61 | C | 90.7 | Very high | 89.3 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 22% | 0.216 | 38% | 0.377 | C | S | . | . | trans | -79.3 | 116.9 | 175.7 | -166 | 0 | 0 | 0 | 0 | 110.5 | D55 H70 | D55-C61 HydrophobicContact CB-CB 3.87Å; D55-C61 PolarHBondContact O-N 3.37Å; C61-H70 VanDerWaalsContact SG-CE1 3.52Å; C61-H70 PolarHBondContact SG-NE2 3.07Å | ||
| 62 | S | 89.1 | Confident | 89.4 | Confident | 113 Ų | 113 | 73.8 Ų | 73.8 | 79% | 0.79 | 37% | 0.367 | S | S | * | . | trans | -101.7 | 3.9 | 173.7 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | R60 | R60-S62 PolarHBondContact O-N 2.98Š| ||
| 63 | R | 89.5 | Confident | 89.3 | Confident | 178 Ų | 178 | 78 Ų | 78 | 67% | 0.672 | 39% | 0.394 | S | S | * | . | trans | -83.4 | 121.4 | -177.4 | -59.5 | -178 | -178 | -162.7 | -0.8 | 110.6 | C66 H70 | R63-C66 HydrophobicContact CB-CB 4.29Å; R63-H70 PolarHBondContact O-CE1 2.87Å | ||
| 64 | E | 77.6 | Confident | 89.2 | Confident | 170 Ų | 170 | 81.1 Ų | 81.1 | 79% | 0.794 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -43.8 | 172.9 | 56.1 | -72.6 | 91.9 | 0 | 0 | 111.3 | C66 | E64-C66 PolarHBondContact O-N 2.89Š|
| 65 | N | 82.7 | Confident | 89.3 | Confident | 138 Ų | 138 | 77 Ų | 77 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 55.8 | 176.7 | -75 | 42.4 | 0 | 0 | 0 | 111.4 | ||
| 66 | C | 87.7 | Confident | 89.4 | Confident | 15 Ų | 15 | 76 Ų | 76 | 10% | 0.101 | 38% | 0.382 | C | S | . | . | trans | -64.7 | 137.6 | 177.5 | -165.8 | 0 | 0 | 0 | 0 | 112 | C53 R63 E64 Y68 H70 | C53-C66 VanDerWaalsContact SG-SG 3.62Å; R63-C66 HydrophobicContact CB-CB 4.29Å; E64-C66 PolarHBondContact O-N 2.89Å; C66-Y68 PolarHBondContact O-N 3.27Å; C66-H70 WeakPolarHBondContact CB-NE2 3.4Å; C66-H70 PolarHBondContact SG-NE2 3.32Å | ||
| 67 | K | 87.5 | Confident | 89.4 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 45% | 0.452 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -63 | -27 | 174.9 | 177.4 | 177.1 | 177.3 | -175.7 | 0 | 112.8 | ||
| 68 | Y | 90 | Very high | 89.5 | Confident | 101 Ų | 101 | 82.6 Ų | 82.6 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -110.1 | 147.4 | -174.5 | -57.7 | -72.4 | 0 | 0 | 0 | 110 | I51 C66 H70 | I51-Y68 HydrophobicContact CB-CD1 3.95Å; I51-Y68 HydrophobicContact CB-CE1 4.32Å; I51-Y68 HydrophobicContact CG2-CD1 3.73Å; I51-Y68 HydrophobicContact CG2-CE1 3.97Å; C66-Y68 PolarHBondContact O-N 3.27Å; Y68-H70 PolarHBondContact O-N 3.13Å |
| 69 | L | 91.8 | Very high | 89.7 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -58.6 | 136.3 | -179 | 178.8 | 67 | 0 | 0 | 0 | 111.3 | L16 A37 V50 I51 A52 C53 P71 | L16-L69 HydrophobicContact CD1-CD2 4.1Å; A37-L69 HydrophobicContact CB-CD2 3.43Å; A37-L69 VanDerWaalsContact CB-CD2 3.43Å; V50-L69 HydrophobicContact CG1-CB 4.42Å; V50-L69 HydrophobicContact CG1-CD2 3.73Å; V50-L69 HydrophobicContact CG2-CB 4.02Å; I51-L69 PolarHBondContact O-N 3.34Å; I51-L69 VanDerWaalsContact O-N 3.11Å; A52-L69 CarbonylContact C-O 3.43Å; A52-L69 WeakPolarHBondContact CA-O 3.28Å; C53-L69 PolarHBondContact N-O 2.88Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.35Å |
| 70 | H | 91.7 | Very high | 89.9 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | trans | -93.7 | 101.7 | 165.7 | -72.9 | -171.3 | 0 | 0 | 0 | 108.1 | C53 S56 C61 R63 C66 Y68 | C53-H70 VanDerWaalsContact CB-CD2 3.5Å; C53-H70 WeakPolarHBondContact CB-CD2 3.41Å; S56-H70 VanDerWaalsContact CB-CD2 3.47Å; S56-H70 WeakPolarHBondContact CB-CD2 3.45Å; C61-H70 VanDerWaalsContact SG-CE1 3.52Å; C61-H70 PolarHBondContact SG-NE2 3.07Å; R63-H70 PolarHBondContact O-CE1 2.87Å; C66-H70 WeakPolarHBondContact CB-NE2 3.4Å; C66-H70 PolarHBondContact SG-NE2 3.32Å; Y68-H70 PolarHBondContact O-N 3.13Å | ||
| 71 | P | 90.7 | Very high | 89.9 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | trans | -76.8 | 143.9 | -171.8 | 30.3 | -34.1 | 0 | 0 | 0 | 111.9 | L16 A52 S56 L57 L69 L75 K76 L79 | L16-P71 HydrophobicContact CD1-CB 3.98Å; A52-P71 HydrophobicContact CB-CG 4.24Å; S56-P71 WeakPolarHBondContact OG-CD 3.4Å; L57-P71 HydrophobicContact CD2-CG 3.66Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-L75 HydrophobicContact CB-CB 3.91Å; P71-K76 HydrophobicContact CG-CB 4.27Å; P71-L79 HydrophobicContact CB-CD1 4.3Å; P71-L79 HydrophobicContact CG-CD1 3.92Å | ||
| 72 | P | 92.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | trans | -63.6 | 162.5 | 172.9 | 28.7 | -36.8 | 0 | 0 | 0 | 111.4 | D31 N32 H74 L75 K76 | D31-P72 WeakPolarHBondContact O-CG 3.43Å; D31-P72 VanDerWaalsContact OD1-CD 3.24Å; D31-P72 WeakPolarHBondContact OD1-CD 3.34Å; D31-P72 WeakPolarHBondContact OD1-CG 3.45Å; N32-P72 WeakPolarHBondContact OD1-CB 3.5Å; P72-H74 VanDerWaalsContact C-N 3.32Å; P72-H74 WeakPolarHBondContact CG-CE1 3.17Å; P72-H74 PolarHBondContact O-N 3.4Å; P72-H74 VanDerWaalsContact O-N 3.14Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.89Å; P72-L75 HydrophobicContact CG-CG 4.13Å; P72-L75 PolarHBondContact O-N 3.43Å; P72-K76 PolarHBondContact O-N 3.35Å | ||
| 73 | P | 90.1 | Very high | 90 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.3 | -38 | -164.9 | 18.4 | -32.5 | 0 | 0 | 0 | 114.8 | K76 T77 | P73-K76 PolarHBondContact O-N 3.11Å; P73-T77 PolarHBondContact O-N 3.03Å; P73-T77 PolarHBondContact O-OG1 2.73Å |
| 74 | H | 91.3 | Very high | 90 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 176.8 | 58.6 | -58.5 | 0 | 0 | 0 | 112.6 | D31 N32 C34 P72 T77 Q78 | D31-H74 PolarHBondContact O-CE1 3.31Å; D31-H74 VanDerWaalsContact O-CE1 3.28Å; N32-H74 VanDerWaalsContact C-CE1 3.47Å; N32-H74 PolarHBondContact O-CE1 2.8Å; C34-H74 PolarHBondContact O-NE2 3.05Å; P72-H74 VanDerWaalsContact C-N 3.32Å; P72-H74 WeakPolarHBondContact CG-CE1 3.17Å; P72-H74 PolarHBondContact O-N 3.4Å; P72-H74 VanDerWaalsContact O-N 3.14Å; H74-T77 PolarHBondContact O-N 3.32Å; H74-Q78 PolarHBondContact O-N 3.33Å |
| 75 | L | 92.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70 | -34.4 | 176.7 | -69.2 | -177.3 | 0 | 0 | 0 | 111.9 | L16 A37 P71 P72 Q78 L79 | L16-L75 HydrophobicContact CD1-CB 4.06Å; L16-L75 HydrophobicContact CD1-CD1 4.22Å; L16-L75 HydrophobicContact CD2-CD2 4.3Å; A37-L75 HydrophobicContact CB-CD1 4.35Å; P71-L75 HydrophobicContact CB-CB 3.91Å; P72-L75 HydrophobicContact CG-CB 4.17Å; P72-L75 HydrophobicContact CG-CD1 3.89Å; P72-L75 HydrophobicContact CG-CG 4.13Å; P72-L75 PolarHBondContact O-N 3.43Å; L75-Q78 PolarHBondContact O-N 3.43Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.34Å |
| 76 | K | 92.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 56.5 Ų | 56.5 | 27% | 0.265 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.8 | -51.6 | 170.2 | 167.2 | 168.5 | 179.3 | 166.9 | 0 | 111.4 | L57 P71 P72 P73 Q78 L79 E80 | L57-K76 HydrophobicContact CD2-CB 4Å; L57-K76 HydrophobicContact CD2-CD 4.47Å; L57-K76 HydrophobicContact CD2-CG 3.77Å; L57-K76 WeakPolarHBondContact O-CE 3.43Å; L57-K76 PolarHBondContact O-NZ 3.44Å; P71-K76 HydrophobicContact CG-CB 4.27Å; P72-K76 PolarHBondContact O-N 3.35Å; P73-K76 PolarHBondContact O-N 3.11Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.96Å; K76-L79 PolarHBondContact O-N 3.36Å; K76-E80 WeakPolarHBondContact CE-OE1 3.39Å; K76-E80 PolarHBondContact O-N 2.86Å |
| 77 | T | 92.3 | Very high | 90.9 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.7 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | P73 H74 E80 I81 | P73-T77 PolarHBondContact O-N 3.03Å; P73-T77 PolarHBondContact O-OG1 2.73Å; H74-T77 PolarHBondContact O-N 3.32Å; T77-E80 PolarHBondContact O-N 2.95Å; T77-I81 HydrophobicContact CG2-CD1 4.07Å; T77-I81 WeakPolarHBondContact O-CG1 3.32Å; T77-I81 PolarHBondContact O-N 3.5Å |
| 78 | Q | 92 | Very high | 90.8 | Very high | 91 Ų | 91 | 59.3 Ų | 59.3 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 175.8 | -173.3 | 177.8 | -2.2 | 0 | 0 | 112.5 | H74 L75 K76 I81 N82 | H74-Q78 PolarHBondContact O-N 3.33Å; L75-Q78 PolarHBondContact O-N 3.43Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.96Å; Q78-I81 PolarHBondContact O-N 3.09Å; Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 2.76Å; Q78-N82 PolarHBondContact O-ND2 3.4Å |
| 79 | L | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | 176.5 | -77.8 | 169.5 | 0 | 0 | 0 | 112.8 | W13 L16 A52 L57 P71 L75 K76 I81 N82 G83 | W13-L79 WeakPolarHBondContact O-CD2 3.16Å; L16-L79 HydrophobicContact CD1-CD1 3.66Å; L16-L79 HydrophobicContact CD1-CG 4.28Å; L16-L79 HydrophobicContact CD2-CD1 4.2Å; L16-L79 HydrophobicContact CD2-CD2 3.96Å; L16-L79 HydrophobicContact CD2-CG 3.89Å; L16-L79 HydrophobicContact CG-CD1 3.84Å; L16-L79 HydrophobicContact CG-CD2 3.99Å; L16-L79 HydrophobicContact CG-CG 4.03Å; A52-L79 HydrophobicContact CB-CD1 3.39Å; L57-L79 HydrophobicContact CD1-CB 4.14Å; L57-L79 HydrophobicContact CD1-CD1 4.28Å; L57-L79 HydrophobicContact CD2-CB 4.09Å; L57-L79 HydrophobicContact CD2-CD1 3.94Å; P71-L79 HydrophobicContact CB-CD1 4.3Å; P71-L79 HydrophobicContact CG-CD1 3.92Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.34Å; K76-L79 PolarHBondContact O-N 3.36Å; L79-I81 VanDerWaalsContact C-N 3.34Å; L79-I81 PolarHBondContact O-N 3.42Å; L79-N82 PolarHBondContact O-N 2.99Å; L79-G83 PolarHBondContact O-N 3.09Å |
| 80 | E | 91.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 65 Ų | 65 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 175.2 | -72.3 | -177.3 | -163.5 | 0 | 0 | 112.7 | K76 T77 R84 | K76-E80 WeakPolarHBondContact CE-OE1 3.39Å; K76-E80 PolarHBondContact O-N 2.86Å; T77-E80 PolarHBondContact O-N 2.95Å; E80-R84 VanDerWaalsContact O-CG 3.3Å; E80-R84 WeakPolarHBondContact O-CG 3.3Å; E80-R84 PolarHBondContact O-N 3.38Å; E80-R84 VanDerWaalsContact O-N 3.11Å; E80-R84 PolarHBondContact O-NE 3.49Å; E80-R84 IonicContact OE2-NH2 2.66Å; E80-R84 PolarHBondContact OE2-NH2 2.76Å |
| 81 | I | 91.2 | Very high | 90 | Very high | 83 Ų | 83 | 68.1 Ų | 68.1 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 173.4 | -67.9 | 163.7 | 0 | 0 | 0 | 110.1 | T77 Q78 L79 G83 R84 N85 | T77-I81 HydrophobicContact CG2-CD1 4.07Å; T77-I81 WeakPolarHBondContact O-CG1 3.32Å; T77-I81 PolarHBondContact O-N 3.5Å; Q78-I81 PolarHBondContact O-N 3.09Å; L79-I81 VanDerWaalsContact C-N 3.34Å; L79-I81 PolarHBondContact O-N 3.42Å; I81-G83 PolarHBondContact O-N 3.34Å; I81-R84 PolarHBondContact O-N 3.49Å; I81-N85 PolarHBondContact O-N 2.83Å; I81-N85 PolarHBondContact O-ND2 2.87Å |
| 82 | N | 91 | Very high | 89.7 | Confident | 61 Ų | 61 | 72 Ų | 72 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 176.6 | -71.3 | -19.1 | 0 | 0 | 0 | 112.2 | Q78 L79 N85 N86 | Q78-N82 VanDerWaalsContact O-CG 3.25Å; Q78-N82 PolarHBondContact O-N 2.76Å; Q78-N82 PolarHBondContact O-ND2 3.4Å; L79-N82 PolarHBondContact O-N 2.99Å; N82-N85 PolarHBondContact O-N 2.72Å; N82-N86 WeakPolarHBondContact O-CB 3.43Å; N82-N86 PolarHBondContact O-N 2.98Å |
| 83 | G | 90.6 | Very high | 89.1 | Confident | 12 Ų | 12 | 77.8 Ų | 77.8 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L79 I81 N86 L87 | L79-G83 PolarHBondContact O-N 3.09Å; I81-G83 PolarHBondContact O-N 3.34Å; G83-N86 PolarHBondContact O-N 3.42Å; G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 PolarHBondContact O-N 3.32Å |
| 84 | R | 89.9 | Confident | 88.7 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 172.7 | -70.6 | 174.9 | -133 | -172.8 | 0.6 | 111.4 | E80 I81 N86 L87 I88 | E80-R84 VanDerWaalsContact O-CG 3.3Å; E80-R84 WeakPolarHBondContact O-CG 3.3Å; E80-R84 PolarHBondContact O-N 3.38Å; E80-R84 VanDerWaalsContact O-N 3.11Å; E80-R84 PolarHBondContact O-NE 3.49Å; E80-R84 IonicContact OE2-NH2 2.66Å; E80-R84 PolarHBondContact OE2-NH2 2.76Å; I81-R84 PolarHBondContact O-N 3.49Å; R84-N86 PolarHBondContact O-N 2.66Å; R84-L87 PolarHBondContact O-N 3.29Å; R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 3.33Å |
| 85 | N | 90.6 | Very high | 88.3 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.7 | -73 | -29.5 | 0 | 0 | 0 | 112.2 | I81 N82 I88 Q89 | I81-N85 PolarHBondContact O-N 2.83Å; I81-N85 PolarHBondContact O-ND2 2.87Å; N82-N85 PolarHBondContact O-N 2.72Å; N85-I88 PolarHBondContact O-N 3.29Å; N85-Q89 WeakPolarHBondContact O-CB 3.47Å; N85-Q89 WeakPolarHBondContact O-CG 3.49Å; N85-Q89 PolarHBondContact O-N 3.02Å |
| 86 | N | 89.3 | Confident | 87.9 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.8 | -176.3 | -113.1 | 0 | 0 | 0 | 111.7 | W13 N82 G83 R84 Q89 Q90 | W13-N86 HydrophobicContact CB-CB 3.96Å; W13-N86 VanDerWaalsContact CD1-OD1 3.32Å; W13-N86 HydrophobicContact CG-CB 4.29Å; N82-N86 WeakPolarHBondContact O-CB 3.43Å; N82-N86 PolarHBondContact O-N 2.98Å; G83-N86 PolarHBondContact O-N 3.42Å; R84-N86 PolarHBondContact O-N 2.66Å; N86-Q89 PolarHBondContact O-N 3.49Å; N86-Q90 WeakPolarHBondContact O-CB 3.18Å; N86-Q90 PolarHBondContact O-N 3.48Å |
| 87 | L | 86.6 | Confident | 87.1 | Confident | 87 Ų | 87 | 82.7 Ų | 82.7 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 173.9 | -176.7 | 62.8 | 0 | 0 | 0 | 112.8 | G83 R84 Q90 K91 | G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 PolarHBondContact O-N 3.32Å; R84-L87 PolarHBondContact O-N 3.29Å; L87-Q90 PolarHBondContact O-N 3.05Å; L87-K91 WeakPolarHBondContact O-CB 3.32Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 2.98Å |
| 88 | I | 87 | Confident | 86.4 | Confident | 91 Ų | 91 | 85.9 Ų | 85.9 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 174.1 | -67.7 | 163.1 | 0 | 0 | 0 | 110.2 | R84 N85 Q90 K91 N92 | R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 3.33Å; N85-I88 PolarHBondContact O-N 3.29Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.31Å; I88-K91 PolarHBondContact O-N 3.32Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.9Å; I88-N92 PolarHBondContact O-OD1 3.21Å |
| 89 | Q | 85.9 | Confident | 85.5 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 60% | 0.603 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 175.5 | -74.2 | 173.3 | -18.9 | 0 | 0 | 112 | N85 N86 N92 M93 | N85-Q89 WeakPolarHBondContact O-CB 3.47Å; N85-Q89 WeakPolarHBondContact O-CG 3.49Å; N85-Q89 PolarHBondContact O-N 3.02Å; N86-Q89 PolarHBondContact O-N 3.49Å; Q89-N92 PolarHBondContact O-N 3.19Å; Q89-M93 WeakPolarHBondContact O-CB 3.36Å; Q89-M93 PolarHBondContact O-N 3.43Å |
| 90 | Q | 83.6 | Confident | 84.2 | Confident | 103 Ų | 103 | 94.2 Ų | 94.2 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.9 | -171.5 | 178.4 | 62.9 | 0 | 0 | 111.8 | N86 L87 I88 M93 A94 | N86-Q90 WeakPolarHBondContact O-CB 3.18Å; N86-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 PolarHBondContact O-N 3.05Å; I88-Q90 VanDerWaalsContact C-N 3.34Å; I88-Q90 PolarHBondContact O-N 3.31Å; Q90-M93 PolarHBondContact O-N 3.07Å; Q90-A94 WeakPolarHBondContact O-CB 3.17Å; Q90-A94 PolarHBondContact O-N 3.14Å |
| 91 | K | 85.5 | Confident | 83.1 | Confident | 139 Ų | 139 | 98.7 Ų | 98.7 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 174.5 | -77 | -173.1 | 174.2 | -169.5 | 0 | 112.5 | L87 I88 M93 A94 M95 | L87-K91 WeakPolarHBondContact O-CB 3.32Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 2.98Å; I88-K91 PolarHBondContact O-N 3.32Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 PolarHBondContact O-N 3.36Å; K91-A94 PolarHBondContact O-N 2.87Å; K91-M95 WeakPolarHBondContact O-CB 3.35Å; K91-M95 PolarHBondContact O-N 2.87Å |
| 92 | N | 85.6 | Confident | 81.9 | Confident | 95 Ų | 95 | 100 Ų | 100 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.3 | -69.9 | 3.1 | 0 | 0 | 0 | 111.5 | I88 Q89 L96 | I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.9Å; I88-N92 PolarHBondContact O-OD1 3.21Å; Q89-N92 PolarHBondContact O-N 3.19Å; N92-L96 VanDerWaalsContact O-CB 3.3Å; N92-L96 WeakPolarHBondContact O-CB 2.86Å; N92-L96 PolarHBondContact O-N 2.85Å |
| 93 | M | 79.4 | Confident | 80.3 | Confident | 131 Ų | 131 | 100.1 Ų | 100.1 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | 175 | -173.1 | 69 | 84.2 | 0 | 0 | 111.7 | Q89 Q90 K91 L96 A97 | Q89-M93 WeakPolarHBondContact O-CB 3.36Å; Q89-M93 PolarHBondContact O-N 3.43Å; Q90-M93 PolarHBondContact O-N 3.07Å; K91-M93 VanDerWaalsContact C-N 3.34Å; K91-M93 PolarHBondContact O-N 3.36Å; M93-L96 PolarHBondContact O-N 3.43Å; M93-A97 WeakPolarHBondContact O-CB 3.49Å; M93-A97 PolarHBondContact O-N 3.01Å |
| 94 | A | 82.8 | Confident | 78.8 | Confident | 60 Ų | 60 | 106.3 Ų | 106.3 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q90 K91 A97 Q98 | Q90-A94 WeakPolarHBondContact O-CB 3.17Å; Q90-A94 PolarHBondContact O-N 3.14Å; K91-A94 PolarHBondContact O-N 2.87Å; A94-A97 PolarHBondContact O-N 3.4Å; A94-Q98 WeakPolarHBondContact O-CB 3.44Å; A94-Q98 PolarHBondContact O-N 3.21Å |
| 95 | M | 81.9 | Confident | 77.2 | Confident | 118 Ų | 118 | 103.1 Ų | 103.1 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.7 | -170.7 | -170.1 | 81.7 | 0 | 0 | 111.8 | K91 Q98 Q99 | K91-M95 WeakPolarHBondContact O-CB 3.35Å; K91-M95 PolarHBondContact O-N 2.87Å; M95-Q98 PolarHBondContact O-N 3.49Å; M95-Q99 PolarHBondContact O-N 3.42Å |
| 96 | L | 83.7 | Confident | 75.4 | Confident | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.9 | -42 | 176.3 | -178.9 | 62.2 | 0 | 0 | 0 | 111.7 | N92 M93 Q99 M100 | N92-L96 VanDerWaalsContact O-CB 3.3Å; N92-L96 WeakPolarHBondContact O-CB 2.86Å; N92-L96 PolarHBondContact O-N 2.85Å; M93-L96 PolarHBondContact O-N 3.43Å; L96-Q99 PolarHBondContact O-N 3Å; L96-M100 PolarHBondContact O-N 3.26Å |
| 97 | A | 76.9 | Confident | 73.6 | Confident | 44 Ų | 44 | 111 Ų | 111 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.6 | -44.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | M93 A94 Q99 M100 Q101 | M93-A97 WeakPolarHBondContact O-CB 3.49Å; M93-A97 PolarHBondContact O-N 3.01Å; A94-A97 PolarHBondContact O-N 3.4Å; A97-Q99 PolarHBondContact O-N 3.39Å; A97-M100 PolarHBondContact O-N 3.49Å; A97-Q101 PolarHBondContact O-N 2.78Å |
| 98 | Q | 77.9 | Confident | 71.8 | Confident | 143 Ų | 143 | 112.8 Ų | 112.8 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.9 | -38.1 | 176.4 | -169.8 | 171.1 | 12.9 | 0 | 0 | 112.4 | A94 M95 Q101 L102 | A94-Q98 WeakPolarHBondContact O-CB 3.44Å; A94-Q98 PolarHBondContact O-N 3.21Å; M95-Q98 PolarHBondContact O-N 3.49Å; Q98-Q101 PolarHBondContact O-N 3.12Å; Q98-L102 PolarHBondContact O-N 2.94Å |
| 99 | Q | 71.2 | Confident | 70.2 | Confident | 125 Ų | 125 | 111.9 Ų | 111.9 | 58% | 0.584 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.7 | -40.1 | 173.9 | -172.6 | 170.7 | 24.6 | 0 | 0 | 111.9 | M95 L96 A97 L102 A103 | M95-Q99 PolarHBondContact O-N 3.42Å; L96-Q99 PolarHBondContact O-N 3Å; A97-Q99 PolarHBondContact O-N 3.39Å; Q99-L102 PolarHBondContact O-N 3.31Å; Q99-A103 PolarHBondContact O-N 3.35Å |
| 100 | M | 67.3 | Low | 68.2 | Low | 140 Ų | 140 | 110 Ų | 110 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.5 | -38.4 | 175.8 | -161.7 | 171.6 | 76.4 | 0 | 0 | 111.8 | L96 A97 L102 A103 N104 | L96-M100 PolarHBondContact O-N 3.26Å; A97-M100 PolarHBondContact O-N 3.49Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.44Å; M100-A103 PolarHBondContact O-N 2.89Å; M100-N104 PolarHBondContact O-N 3.02Å; M100-N104 VanDerWaalsContact O-N 3.12Å |
| 101 | Q | 66.4 | Low | 66.4 | Low | 148 Ų | 148 | 112.9 Ų | 112.9 | 69% | 0.692 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.5 | -42.1 | 172.8 | -134.8 | 100.4 | 24.9 | 0 | 0 | 111.8 | A97 Q98 N104 A105 | A97-Q101 PolarHBondContact O-N 2.78Å; Q98-Q101 PolarHBondContact O-N 3.12Å; Q101-N104 PolarHBondContact O-N 2.97Å; Q101-A105 PolarHBondContact O-N 3.32Å |
| 102 | L | 66.1 | Low | 64.3 | Low | 111 Ų | 111 | 114.1 Ų | 114.1 | 58% | 0.581 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.4 | -38.3 | -179.5 | -160.4 | 74.8 | 0 | 0 | 0 | 112.2 | Q98 Q99 M100 N104 A105 M106 | Q98-L102 PolarHBondContact O-N 2.94Å; Q99-L102 PolarHBondContact O-N 3.31Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.44Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3.44Å; L102-A105 VanDerWaalsContact O-N 3.11Å; L102-M106 PolarHBondContact O-N 3.3Å |
| 103 | A | 57.8 | Low | 62.2 | Low | 63 Ų | 63 | 116.9 Ų | 116.9 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -61.5 | -40.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q99 M100 A105 M106 | Q99-A103 PolarHBondContact O-N 3.35Å; M100-A103 PolarHBondContact O-N 2.89Å; A103-A105 PolarHBondContact O-N 3.2Å; A103-M106 PolarHBondContact O-N 2.95Å; A103-M106 VanDerWaalsContact O-N 3.16Å |
| 104 | N | 58.6 | Low | 60.5 | Low | 143 Ų | 143 | 116.2 Ų | 116.2 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.7 | -16.8 | 175.9 | -124 | 65 | 0 | 0 | 0 | 113.5 | M100 Q101 L102 | M100-N104 PolarHBondContact O-N 3.02Å; M100-N104 VanDerWaalsContact O-N 3.12Å; Q101-N104 PolarHBondContact O-N 2.97Å; L102-N104 VanDerWaalsContact C-N 3.32Å; L102-N104 PolarHBondContact O-N 2.87Å |
| 105 | A | 58.3 | Low | 58.9 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 65% | 0.653 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -1.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q101 L102 A103 | Q101-A105 PolarHBondContact O-N 3.32Å; L102-A105 PolarHBondContact O-N 3.44Å; L102-A105 VanDerWaalsContact O-N 3.11Å; A103-A105 PolarHBondContact O-N 3.2Å |
| 106 | M | 51.8 | Low | 57.3 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | trans | -112.2 | 27.4 | -176.8 | -74.6 | -168.4 | 163 | 0 | 0 | 114.3 | L102 A103 P108 | L102-M106 PolarHBondContact O-N 3.3Å; A103-M106 PolarHBondContact O-N 2.95Å; A103-M106 VanDerWaalsContact O-N 3.16Å; M106-P108 WeakPolarHBondContact O-CD 3.49Å | ||
| 107 | I | 51.8 | Low | 55.2 | Low | 138 Ų | 138 | 122.9 Ų | 122.9 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | -108.3 | 97.1 | 161.5 | -57.4 | -176.3 | 0 | 0 | 0 | 109.4 | ||||
| 108 | P | 48 | Very low | 53.4 | Low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -76.4 | 121.2 | 163.5 | -4.1 | 21.9 | 0 | 0 | 0 | 109.5 | M106 | M106-P108 WeakPolarHBondContact O-CD 3.49Š| ||
| 109 | G | 53.9 | Low | 51.3 | Low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | 92.8 | 77.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 110 | A | 44.8 | Very low | 50.2 | Low | 91 Ų | 91 | 129.1 Ų | 129.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -141.3 | 84.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L112 | A110-L112 PolarHBondContact O-N 2.97Š| ||
| 111 | Q | 44.4 | Very low | 49 | Very low | 163 Ų | 163 | 128.6 Ų | 128.6 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -67.3 | 108.1 | 170.6 | -74.4 | -82 | 0.9 | 0 | 0 | 109 | ||||
| 112 | L | 41.1 | Very low | 48.2 | Very low | 164 Ų | 164 | 127 Ų | 127 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | trans | -112.3 | 109.6 | 158.4 | -72.8 | 178.7 | 0 | 0 | 0 | 108.3 | A110 | A110-L112 PolarHBondContact O-N 2.97Š| ||
| 113 | Q | 41.3 | Very low | 46.6 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 134.2 | -176.6 | -67.7 | -88.1 | -65.9 | 0 | 0 | 111.1 | V115 | Q113-V115 PolarHBondContact O-N 3.41Š| ||
| 114 | P | 44.8 | Very low | 45.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 111.3 | 159.4 | 30.6 | -28.6 | 0 | 0 | 0 | 108.7 | ||||
| 115 | V | 49.6 | Very low | 44.3 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -67.2 | 128.6 | 172.9 | -76.8 | 0 | 0 | 0 | 0 | 110.5 | Q113 M117 | Q113-V115 PolarHBondContact O-N 3.41Å; V115-M117 PolarHBondContact O-N 3.09Å | ||
| 116 | P | 47.8 | Very low | 43 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -82.9 | 113.6 | 172.9 | 31.7 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 117 | M | 40.4 | Very low | 42.1 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 137.1 | 163.8 | -90.8 | -81.3 | -93.6 | 0 | 0 | 109.5 | V115 | V115-M117 PolarHBondContact O-N 3.09Š|
| 118 | F | 38.1 | Very low | 41.1 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.5 | -160.5 | -67.4 | -101.1 | 0 | 0 | 0 | 113.1 | V120 | F118-V120 PolarHBondContact O-N 3.07Š|
| 119 | S | 34.6 | Very low | 40.3 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 116.7 | 167.7 | 51.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 120 | V | 46.4 | Very low | 39.2 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -108.6 | 139 | 156.6 | -82.8 | 0 | 0 | 0 | 0 | 109 | F118 | F118-V120 PolarHBondContact O-N 3.07Š| ||
| 121 | T | 42.1 | Very low | 38.5 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -98.9 | -172 | -168.8 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 122 | P | 51.4 | Low | 37.8 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -118.2 | 162 | -118.6 | 22.7 | 0.7 | 0 | 0 | 0 | 114.6 | |||||
| 123 | S | 32.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -161.9 | 117.3 | 149.3 | -86.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 124 | L | 34.3 | Very low | 36.9 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | 29.2 | 115.7 | 129.9 | -168.4 | 70.4 | 0 | 0 | 0 | 119.4 | |||||
| 125 | A | 32.7 | Very low | 36.4 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | 179.4 | 127.3 | 114.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 126 | T | 32.1 | Very low | 35.9 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 48.5 | 118.5 | 145.4 | 45.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 127 | N | 31.4 | Very low | 35.1 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | 85.1 | 139.3 | 120.9 | -65.4 | -11.7 | 0 | 0 | 0 | 123.5 | |||||
| 128 | A | 31.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | 58.3 | 116.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 129 | A | 31.3 | Very low | 35.4 | Very low | 95 Ų | 95 | 117 Ų | 117 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | 77.5 | 135.8 | 51.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 130 | A | 31.4 | Very low | 35.2 | Very low | 104 Ų | 104 | 121.7 Ų | 121.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 63.5 | 151.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 131 | A | 30.1 | Very low | 34.7 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | 155.7 | 159.5 | -20.4 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 132 | A | 30 | Very low | 34.4 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 67.6 | 113.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 133 | A | 29.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | 75.7 | 116.9 | 117 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 134 | A | 33 | Very low | 34.9 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | 78.5 | 165.2 | 123.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 135 | A | 34.6 | Very low | 35 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 66.1 | 118.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 136 | A | 38.1 | Very low | 35.6 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | 62.2 | 105.3 | 33.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 137 | F | 32.4 | Very low | 35.6 | Very low | 215 Ų | 215 | 118 Ų | 118 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | -176.7 | 119.1 | 140.2 | -100.1 | -68.5 | 0 | 0 | 0 | 111.2 | ||||
| 138 | N | 39.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -71.2 | 171.7 | 156.2 | -95.1 | 3.1 | 0 | 0 | 0 | 109.2 | ||||
| 139 | P | 45.3 | Very low | 36.5 | Very low | 105 Ų | 105 | 121 Ų | 121 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -150.6 | 170.5 | 31.9 | 34.3 | -10.1 | 0 | 0 | 0 | 118.7 | ||||
| 140 | Y | 30.5 | Very low | 37.1 | Very low | 209 Ų | 209 | 122.7 Ų | 122.7 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | 171 | 151.2 | 119.9 | -114.7 | -98.6 | 0 | 0 | 0 | 114.6 | |||||
| 141 | L | 35.6 | Very low | 37.1 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | 72.7 | 123.4 | 166.2 | -58 | 175.6 | 0 | 0 | 0 | 121.1 | ||||
| 142 | G | 34.7 | Very low | 37.3 | Very low | 69 Ų | 69 | 125 Ų | 125 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -102 | -154.2 | 153 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 143 | P | 59 | Low | 37.4 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -141.1 | -156.2 | 21.5 | 38.6 | -15.2 | 0 | 0 | 0 | 115.1 | ||||
| 144 | V | 35.8 | Very low | 37.5 | Very low | 138 Ų | 138 | 131 Ų | 131 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 96.4 | 120.4 | 165 | -43 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 145 | S | 36.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -106.8 | 171.4 | 160.9 | -36.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 146 | P | 45.9 | Very low | 38.2 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | -153.8 | 167.6 | 67.3 | 39.6 | -18.9 | 0 | 0 | 0 | 118.3 | |||||
| 147 | G | 31.8 | Very low | 37.9 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | 81.1 | 148.2 | 138 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 148 | L | 36.3 | Very low | 38.5 | Very low | 153 Ų | 153 | 129 Ų | 129 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | cis | -148.4 | 150.6 | 18.3 | -67.4 | 177.1 | 0 | 0 | 0 | 113.3 | ||||
| 149 | M | 45.8 | Very low | 38.5 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -33.8 | 155.9 | -177 | 44.9 | -88.4 | 177.5 | 0 | 0 | 124.2 | ||||
| 150 | P | 43.4 | Very low | 38 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -93.2 | 174.7 | 153.7 | 39.5 | -32.7 | 0 | 0 | 0 | 112.9 | ||||
| 151 | A | 31.4 | Very low | 38.2 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -134.5 | 146.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 152 | D | 33.7 | Very low | 38.2 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -67.4 | 161.3 | -174.5 | -95.3 | -93.1 | 0 | 0 | 0 | 116.8 | ||||
| 153 | I | 32.3 | Very low | 37.9 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | 178.7 | 131.8 | 118.4 | -87.5 | 153.9 | 0 | 0 | 0 | 111.1 | |||||
| 154 | L | 31 | Very low | 37.3 | Very low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -97.5 | -171.2 | 174.8 | -80.7 | 169.3 | 0 | 0 | 0 | 110.9 | ||||
| 155 | P | 53 | Low | 37.7 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -130.2 | 171 | -22.7 | 23.3 | -1.7 | 0 | 0 | 0 | 113.9 | ||||
| 156 | S | 29.6 | Very low | 37.9 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -170.8 | 125.2 | 132.2 | -84.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 157 | A | 33.2 | Very low | 37.5 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | -107.5 | 168.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 158 | P | 45.1 | Very low | 38 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | -127.6 | 147.6 | 78.9 | 35.1 | -26.3 | 0 | 0 | 0 | 114.6 | |||||
| 159 | V | 38.3 | Very low | 38.5 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | trans | -69.1 | 144.2 | 169.8 | -78 | 0 | 0 | 0 | 0 | 112 | ||||
| 160 | L | 34.6 | Very low | 38.7 | Very low | 179 Ų | 179 | 124.2 Ų | 124.2 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | -131 | 145.5 | 135.7 | -92.8 | 175.6 | 0 | 0 | 0 | 109.1 | ||||
| 161 | V | 35.9 | Very low | 38.9 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | -92 | 144.6 | -147.4 | 163.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 162 | T | 35.2 | Very low | 39.9 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -68 | 135.6 | 168.8 | 166.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 163 | S | 29 | Very low | 40.8 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -143.8 | 82.3 | 151.9 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 164 | N | 44.8 | Very low | 41.6 | Very low | 147 Ų | 147 | 110.9 Ų | 110.9 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | -68.9 | 144.1 | 160.3 | -99.1 | 16.1 | 0 | 0 | 0 | 109.2 | ||||
| 165 | P | 44.8 | Very low | 42.7 | Very low | 109 Ų | 109 | 106 Ų | 106 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | -138.2 | 143 | 90.3 | 33.8 | -19.2 | 0 | 0 | 0 | 115.5 | |||||
| 166 | S | 40.3 | Very low | 42.8 | Very low | 113 Ų | 113 | 103.4 Ų | 103.4 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | 51.3 | 85.1 | 142.3 | -52.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 167 | V | 39.2 | Very low | 43.9 | Very low | 120 Ų | 120 | 99 Ų | 99 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -139.1 | 121.7 | 152.3 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | P | 41.5 | Very low | 44.8 | Very low | 116 Ų | 116 | 97.4 Ų | 97.4 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | trans | -70.8 | 130.8 | 168.2 | 29.6 | -32.2 | 0 | 0 | 0 | 109.5 | P170 | P168-P170 VanDerWaalsContact C-CD 3.48Å; P168-P170 WeakPolarHBondContact O-CD 3.36Å | ||
| 169 | V | 46.1 | Very low | 45.4 | Very low | 110 Ų | 110 | 97.2 Ų | 97.2 | 67% | 0.667 | 63% | 0.633 | S | S | * | * | trans | -103.1 | 97.1 | -174.5 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | A172 | V169-A172 HydrophobicContact CG1-CB 3.97Š| ||
| 170 | P | 50.5 | Low | 46.2 | Very low | 99 Ų | 99 | 97.8 Ų | 97.8 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | trans | -99 | -6 | 151.4 | 35 | -30.7 | 0 | 0 | 0 | 112.2 | P168 A174 | P168-P170 VanDerWaalsContact C-CD 3.48Å; P168-P170 WeakPolarHBondContact O-CD 3.36Å; P170-A174 PolarHBondContact O-N 2.91Å | ||
| 171 | A | 48.4 | Very low | 47.2 | Very low | 68 Ų | 68 | 93.2 Ų | 93.2 | 56% | 0.562 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.9 | -37.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | A174 A175 | A171-A174 PolarHBondContact O-N 3.43Å; A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 3.39Å |
| 172 | A | 51.4 | Low | 48.1 | Very low | 65 Ų | 65 | 94.4 Ų | 94.4 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.6 | -40.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V169 A175 A176 | V169-A172 HydrophobicContact CG1-CB 3.97Å; A172-A175 PolarHBondContact O-N 3.38Å; A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.99Å |
| 173 | A | 52.5 | Low | 49.7 | Very low | 72 Ų | 72 | 98.5 Ų | 98.5 | 60% | 0.595 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.7 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A176 A177 | A173-A176 PolarHBondContact O-N 3.03Å; A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 3.27Å |
| 174 | A | 49.8 | Very low | 52 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | P170 A171 A177 A178 | P170-A174 PolarHBondContact O-N 2.91Å; A171-A174 PolarHBondContact O-N 3.43Å; A174-A177 PolarHBondContact O-N 3.1Å; A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 2.95Å; A174-A178 PolarHBondContact O-N 3.44Å |
| 175 | A | 53.5 | Low | 53.9 | Low | 46 Ų | 46 | 88.5 Ų | 88.5 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A171 A172 A178 Q179 | A171-A175 WeakPolarHBondContact O-CB 3.32Å; A171-A175 PolarHBondContact O-N 3.39Å; A172-A175 PolarHBondContact O-N 3.38Å; A175-A178 PolarHBondContact O-N 2.94Å; A175-Q179 WeakPolarHBondContact O-CB 3.32Å; A175-Q179 VanDerWaalsContact O-CG 3.27Å; A175-Q179 WeakPolarHBondContact O-CG 3.46Å; A175-Q179 PolarHBondContact O-N 3.35Å |
| 176 | A | 55.9 | Low | 55.9 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 44% | 0.438 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A172 A173 K180 | A172-A176 WeakPolarHBondContact O-CB 3.48Å; A172-A176 PolarHBondContact O-N 2.99Å; A173-A176 PolarHBondContact O-N 3.03Å; A176-K180 WeakPolarHBondContact O-CB 3.03Å; A176-K180 PolarHBondContact O-N 3.27Å |
| 177 | A | 52.1 | Low | 58.3 | Low | 37 Ų | 37 | 83.2 Ų | 83.2 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A173 A174 K180 L181 | A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 3.27Å; A174-A177 PolarHBondContact O-N 3.1Å; A177-K180 PolarHBondContact O-N 3.49Å; A177-L181 WeakPolarHBondContact O-CB 3.31Å; A177-L181 PolarHBondContact O-N 2.92Å |
| 178 | A | 51.9 | Low | 60.7 | Low | 49 Ų | 49 | 83 Ų | 83 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A174 A175 L181 M182 | A174-A178 VanDerWaalsContact O-CB 3.26Å; A174-A178 WeakPolarHBondContact O-CB 2.95Å; A174-A178 PolarHBondContact O-N 3.44Å; A175-A178 PolarHBondContact O-N 2.94Å; A178-L181 WeakPolarHBondContact O-CB 3.49Å; A178-L181 PolarHBondContact O-N 3.42Å; A178-M182 WeakPolarHBondContact O-CG 3.23Å; A178-M182 PolarHBondContact O-N 3.4Å |
| 179 | Q | 56.9 | Low | 63.1 | Low | 128 Ų | 128 | 77.9 Ų | 77.9 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 173.1 | -74 | 174.8 | 0.8 | 0 | 0 | 112 | A175 L181 M182 R183 | A175-Q179 WeakPolarHBondContact O-CB 3.32Å; A175-Q179 VanDerWaalsContact O-CG 3.27Å; A175-Q179 WeakPolarHBondContact O-CG 3.46Å; A175-Q179 PolarHBondContact O-N 3.35Å; Q179-L181 VanDerWaalsContact C-N 3.32Å; Q179-L181 PolarHBondContact O-N 2.87Å; Q179-M182 PolarHBondContact O-N 2.87Å; Q179-R183 WeakPolarHBondContact O-CG 3.48Å; Q179-R183 PolarHBondContact O-N 3.34Å |
| 180 | K | 56 | Low | 65.2 | Low | 130 Ų | 130 | 72.6 Ų | 72.6 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.9 | -37.5 | 171.5 | -104 | -167.8 | 171.3 | -168.6 | 0 | 112.5 | A176 A177 R183 T184 V259 | A176-K180 WeakPolarHBondContact O-CB 3.03Å; A176-K180 PolarHBondContact O-N 3.27Å; A177-K180 PolarHBondContact O-N 3.49Å; K180-R183 PolarHBondContact O-N 2.96Å; K180-T184 PolarHBondContact O-N 3.05Å; K180-V259 HydrophobicContact CB-CG1 4.3Å; K180-V259 HydrophobicContact CB-CG2 4.25Å |
| 181 | L | 54.8 | Low | 67.1 | Low | 84 Ų | 84 | 75.7 Ų | 75.7 | 44% | 0.44 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 175.5 | -170.8 | 66.7 | 0 | 0 | 0 | 111.1 | A177 A178 Q179 R183 T184 V259 | A177-L181 WeakPolarHBondContact O-CB 3.31Å; A177-L181 PolarHBondContact O-N 2.92Å; A178-L181 WeakPolarHBondContact O-CB 3.49Å; A178-L181 PolarHBondContact O-N 3.42Å; Q179-L181 VanDerWaalsContact C-N 3.32Å; Q179-L181 PolarHBondContact O-N 2.87Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 2.98Å; L181-T184 WeakPolarHBondContact O-CB 3.43Å; L181-T184 WeakPolarHBondContact O-CG2 3.42Å; L181-T184 PolarHBondContact O-N 3.27Å; L181-V259 HydrophobicContact CB-CG1 4.24Å; L181-V259 HydrophobicContact CD1-CG1 4.21Å |
| 182 | M | 56.8 | Low | 69.1 | Low | 145 Ų | 145 | 76.6 Ų | 76.6 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.6 | -34.5 | 175 | -67.1 | -173.8 | 85.6 | 0 | 0 | 112.6 | A178 Q179 T184 D185 | A178-M182 WeakPolarHBondContact O-CG 3.23Å; A178-M182 PolarHBondContact O-N 3.4Å; Q179-M182 PolarHBondContact O-N 2.87Å; M182-T184 PolarHBondContact O-N 3.39Å; M182-D185 WeakPolarHBondContact O-CB 3.32Å; M182-D185 PolarHBondContact O-N 3.12Å |
| 183 | R | 67.4 | Low | 70.9 | Confident | 204 Ų | 204 | 77.8 Ų | 77.8 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.7 | -22.9 | 173.8 | -83.5 | -176.4 | 172.2 | 178.5 | -1.5 | 114.1 | Q179 K180 L181 D185 R186 | Q179-R183 WeakPolarHBondContact O-CG 3.48Å; Q179-R183 PolarHBondContact O-N 3.34Å; K180-R183 PolarHBondContact O-N 2.96Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 2.98Å; R183-D185 PolarHBondContact O-N 3.37Å; R183-R186 PolarHBondContact O-N 3.49Å |
| 184 | T | 77.4 | Confident | 72.6 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.3 | 177.5 | -139.8 | 0 | 0 | 0 | 0 | 112.9 | K180 L181 M182 A255 Q256 | K180-T184 PolarHBondContact O-N 3.05Å; L181-T184 WeakPolarHBondContact O-CB 3.43Å; L181-T184 WeakPolarHBondContact O-CG2 3.42Å; L181-T184 PolarHBondContact O-N 3.27Å; M182-T184 PolarHBondContact O-N 3.39Å; T184-A255 WeakPolarHBondContact OG1-CB 3.37Å; T184-Q256 HydrophobicContact CG2-CG 3.39Å |
| 185 | D | 83.9 | Confident | 74.5 | Confident | 37 Ų | 37 | 84 Ų | 84 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.1 | -179.2 | -167.7 | 35.7 | 0 | 0 | 0 | 113.6 | M182 R183 T224 V225 M227 | M182-D185 WeakPolarHBondContact O-CB 3.32Å; M182-D185 PolarHBondContact O-N 3.12Å; R183-D185 PolarHBondContact O-N 3.37Å; D185-T224 WeakPolarHBondContact OD2-CG2 3.41Å; D185-V225 PolarHBondContact O-N 2.88Å; D185-V225 WeakPolarHBondContact OD1-CB 3.47Å; D185-M227 HydrophobicContact CB-CE 4.15Å; D185-M227 HydrophobicContact CB-CG 4.4Å; D185-M227 WeakPolarHBondContact OD1-CE 3.48Å; D185-M227 VanDerWaalsContact OD1-CG 3.31Å; D185-M227 WeakPolarHBondContact OD1-CG 3.43Å |
| 186 | R | 88.3 | Confident | 76.1 | Confident | 101 Ų | 101 | 85 Ų | 85 | 38% | 0.381 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.4 | 178.4 | -66.7 | -146.3 | 152.6 | -172.7 | -8.9 | 111.6 | R183 D217 T222 V223 T224 | R183-R186 PolarHBondContact O-N 3.49Å; R186-D217 IonicContact CZ-OD2 3.9Å; R186-D217 IonicContact NH1-OD2 3.95Å; R186-D217 PolarHBondContact NH1-OD2 2.92Å; R186-D217 IonicContact NH2-OD2 3.88Å; R186-T222 HydrophobicContact CB-CG2 4.42Å; R186-V223 WeakPolarHBondContact CA-O 3.11Å; R186-T224 PolarHBondContact NE-OG1 3.5Å; R186-T224 PolarHBondContact NH2-OG1 2.88Å |
| 187 | L | 89.3 | Confident | 77.7 | Confident | 10 Ų | 10 | 88.2 Ų | 88.2 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135 | 172 | -74.9 | 176 | 0 | 0 | 0 | 109.7 | A208 T222 V223 V225 F242 P244 L248 I252 | L187-A208 HydrophobicContact CB-CB 4.04Å; L187-A208 HydrophobicContact CD1-CB 4.22Å; L187-T222 CarbonylContact O-C 3.57Å; L187-T222 VanDerWaalsContact O-CA 3.23Å; L187-T222 WeakPolarHBondContact O-CA 3.44Å; L187-T222 WeakPolarHBondContact O-CB 3.3Å; L187-V223 HydrophobicContact CB-CG2 4Å; L187-V223 PolarHBondContact N-O 3.17Å; L187-V223 PolarHBondContact O-N 3.38Å; L187-V225 HydrophobicContact CB-CG2 4.39Å; L187-V225 HydrophobicContact CD1-CG2 3.73Å; L187-V225 HydrophobicContact CG-CG2 3.78Å; L187-F242 HydrophobicContact CD1-CD1 4.35Å; L187-F242 HydrophobicContact CD1-CE1 4.32Å; L187-P244 HydrophobicContact CD1-CB 3.93Å; L187-P244 HydrophobicContact CD1-CG 4.4Å; L187-L248 HydrophobicContact CD1-CB 4.27Å; L187-L248 HydrophobicContact CD1-CD1 4.23Å; L187-I252 HydrophobicContact CD1-CD1 3.94Å; L187-I252 HydrophobicContact CD2-CD1 4.13Å; L187-I252 HydrophobicContact CD2-CG1 4.14Å; L187-I252 HydrophobicContact CG-CD1 4.05Å |
| 188 | E | 90.2 | Very high | 79.5 | Confident | 117 Ų | 117 | 87.8 Ų | 87.8 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 136.3 | 168.4 | -69.2 | 164.2 | -175 | 0 | 0 | 110.5 | F207 A208 T222 | E188-F207 HydrophobicContact CB-CD1 3.95Å; E188-F207 HydrophobicContact CB-CE1 4.44Å; E188-F207 WeakPolarHBondContact OE2-CE1 3.35Å; E188-A208 PolarHBondContact O-N 3.13Å; E188-T222 HydrophobicContact CG-CG2 4.22Å |
| 189 | V | 91.3 | Very high | 81.2 | Confident | 7 Ų | 7 | 92.2 Ų | 92.2 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 140.6 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | R191 A208 P210 I216 N221 V223 | V189-R191 PolarHBondContact O-N 3.46Å; V189-A208 WeakPolarHBondContact CA-O 3.39Å; V189-P210 HydrophobicContact CG1-CG 3.92Å; V189-P210 HydrophobicContact CG2-CG 3.91Å; V189-I216 HydrophobicContact CG1-CD1 4.29Å; V189-I216 HydrophobicContact CG2-CD1 4.39Å; V189-I216 HydrophobicContact CG2-CG1 4.21Å; V189-I216 HydrophobicContact CG2-CG2 4.15Å; V189-N221 WeakPolarHBondContact CB-O 3.4Å; V189-N221 WeakPolarHBondContact CG2-O 3.49Å; V189-N221 PolarHBondContact N-O 3.36Å; V189-V223 HydrophobicContact CG2-CB 4.44Å; V189-V223 HydrophobicContact CG2-CG1 3.57Å; V189-V223 HydrophobicContact CG2-CG2 4.3Å |
| 190 | C | 91.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 116.3 | 175 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | E192 Y193 Q194 C198 F207 A208 H209 | C190-E192 VanDerWaalsContact C-N 3.29Å; C190-E192 PolarHBondContact O-N 3.31Å; C190-E192 PolarHBondContact SG-OE2 3.34Å; C190-Y193 PolarHBondContact O-N 3.1Å; C190-Y193 PolarHBondContact SG-N 2.94Å; C190-Q194 PolarHBondContact O-N 2.86Å; C190-C198 VanDerWaalsContact SG-SG 3.65Å; C190-F207 HydrophobicContact CB-CB 3.72Å; C190-A208 PolarHBondContact N-O 3.09Å; C190-H209 VanDerWaalsContact CB-CD2 3.4Å; C190-H209 WeakPolarHBondContact CB-CD2 3.38Å; C190-H209 WeakPolarHBondContact CB-NE2 3.43Å |
| 191 | R | 89.6 | Confident | 83.5 | Confident | 163 Ų | 163 | 89.2 Ų | 89.2 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.3 | -34.2 | 178.1 | -76.5 | -174.8 | 169.6 | 163.3 | -0.6 | 111.9 | V189 Y193 Q194 R195 | V189-R191 PolarHBondContact O-N 3.46Å; R191-Y193 VanDerWaalsContact C-N 3.35Å; R191-Q194 PolarHBondContact O-N 3.49Å; R191-R195 VanDerWaalsContact O-CG 3.25Å; R191-R195 WeakPolarHBondContact O-CG 3.46Å; R191-R195 PolarHBondContact O-N 3.04Å; R191-R195 VanDerWaalsContact O-N 3.09Å |
| 192 | E | 90.9 | Very high | 84.7 | Confident | 87 Ų | 87 | 88.8 Ų | 88.8 | 41% | 0.407 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 175.9 | -57.4 | 71.4 | -160.2 | 0 | 0 | 110.8 | C190 R195 G196 N197 C198 | C190-E192 VanDerWaalsContact C-N 3.29Å; C190-E192 PolarHBondContact O-N 3.31Å; C190-E192 PolarHBondContact SG-OE2 3.34Å; E192-R195 CarbonylContact O-C 3.56Å; E192-R195 PolarHBondContact O-N 2.96Å; E192-G196 PolarHBondContact O-N 3.47Å; E192-G196 VanDerWaalsContact O-N 3.1Å; E192-N197 PolarHBondContact O-N 3.3Å; E192-C198 HydrophobicContact CB-CB 3.83Å; E192-C198 PolarHBondContact O-N 3.46Å |
| 193 | Y | 89.8 | Confident | 85.7 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 35% | 0.353 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.4 | -43 | 176.6 | -179 | -102.8 | 0 | 0 | 0 | 110.9 | C190 R191 R195 G196 H209 | C190-Y193 PolarHBondContact O-N 3.1Å; C190-Y193 PolarHBondContact SG-N 2.94Å; R191-Y193 VanDerWaalsContact C-N 3.35Å; Y193-R195 PolarHBondContact O-N 3.2Å; Y193-R195 VanDerWaalsContact O-N 3.13Å; Y193-G196 PolarHBondContact O-N 3.22Å; Y193-H209 HydrophobicContact CD1-CB 3.92Å; Y193-H209 AromaticContact CD1-CG 3.98Å; Y193-H209 HydrophobicContact CD2-CB 4.17Å; Y193-H209 AromaticContact CD2-CE1 3.66Å; Y193-H209 AromaticContact CD2-CG 3.66Å; Y193-H209 AromaticContact CD2-ND1 3.33Å; Y193-H209 VanDerWaalsContact CD2-ND1 3.33Å; Y193-H209 WeakPolarHBondContact CD2-ND1 3.49Å; Y193-H209 HydrophobicContact CE1-CB 3.88Å; Y193-H209 HydrophobicContact CE2-CB 4.13Å; Y193-H209 AromaticContact CE2-ND1 3.73Å; Y193-H209 HydrophobicContact CG-CB 4.06Å; Y193-H209 AromaticContact CG-CD2 3.79Å; Y193-H209 AromaticContact CG-CE1 3.99Å; Y193-H209 AromaticContact CG-CG 3.62Å; Y193-H209 AromaticContact CG-ND1 3.76Å |
| 194 | Q | 88.5 | Confident | 86.5 | Confident | 80 Ų | 80 | 83.5 Ų | 83.5 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -17.2 | 172.7 | -168.2 | 176.1 | 65.4 | 0 | 0 | 113.2 | C190 R191 N221 | C190-Q194 PolarHBondContact O-N 2.86Å; R191-Q194 PolarHBondContact O-N 3.49Å; Q194-N221 PolarHBondContact OE1-ND2 3.38Å |
| 195 | R | 88.6 | Confident | 87 | Confident | 180 Ų | 180 | 82.8 Ų | 82.8 | 68% | 0.679 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9.4 | 171.5 | -68.1 | -74.9 | -174.2 | -82.2 | 0.7 | 113.8 | R191 E192 Y193 N197 | R191-R195 VanDerWaalsContact O-CG 3.25Å; R191-R195 WeakPolarHBondContact O-CG 3.46Å; R191-R195 PolarHBondContact O-N 3.04Å; R191-R195 VanDerWaalsContact O-N 3.09Å; E192-R195 CarbonylContact O-C 3.56Å; E192-R195 PolarHBondContact O-N 2.96Å; Y193-R195 PolarHBondContact O-N 3.2Å; Y193-R195 VanDerWaalsContact O-N 3.13Å; R195-N197 VanDerWaalsContact C-N 3.34Å; R195-N197 PolarHBondContact O-OD1 3.45Å |
| 196 | G | 87.2 | Confident | 87.1 | Confident | 69 Ų | 69 | 89.2 Ų | 89.2 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 10.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E192 Y193 | E192-G196 PolarHBondContact O-N 3.47Å; E192-G196 VanDerWaalsContact O-N 3.1Å; Y193-G196 PolarHBondContact O-N 3.22Å |
| 197 | N | 90.6 | Very high | 87.2 | Confident | 120 Ų | 120 | 87.5 Ų | 87.5 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | trans | -106.1 | 1.9 | -175.7 | -64.8 | 106 | 0 | 0 | 0 | 114.5 | E192 R195 T199 | E192-N197 PolarHBondContact O-N 3.3Å; R195-N197 VanDerWaalsContact C-N 3.34Å; R195-N197 PolarHBondContact O-OD1 3.45Å; N197-T199 PolarHBondContact O-N 2.95Å | ||
| 198 | C | 88.8 | Confident | 87.2 | Confident | 28 Ų | 28 | 87 Ų | 87 | 19% | 0.189 | 43% | 0.429 | C | S | . | . | trans | -77.9 | 107.7 | 177.5 | -164.3 | 0 | 0 | 0 | 0 | 111.3 | C190 E192 R200 H209 | C190-C198 VanDerWaalsContact SG-SG 3.65Å; E192-C198 HydrophobicContact CB-CB 3.83Å; E192-C198 PolarHBondContact O-N 3.46Å; C198-R200 VanDerWaalsContact C-N 3.34Å; C198-H209 VanDerWaalsContact SG-CE1 3.58Å | ||
| 199 | T | 87.3 | Confident | 87.2 | Confident | 142 Ų | 142 | 81.8 Ų | 81.8 | 87% | 0.871 | 41% | 0.405 | S | S | * | . | trans | -86 | -4 | 173.5 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | N197 | N197-T199 PolarHBondContact O-N 2.95Š| ||
| 200 | R | 85.8 | Confident | 87 | Confident | 150 Ų | 150 | 81.8 Ų | 81.8 | 57% | 0.566 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -85 | 124.2 | 174.1 | -55.6 | 177.5 | -153.2 | 159.2 | 12.8 | 107.9 | C198 C205 H209 | C198-R200 VanDerWaalsContact C-N 3.34Å; R200-C205 HydrophobicContact CB-CB 4.37Å; R200-H209 PolarHBondContact O-CE1 3.45Å; R200-H209 VanDerWaalsContact O-CE1 3.31Å |
| 201 | G | 76.8 | Confident | 86.4 | Confident | 44 Ų | 44 | 86.2 Ų | 86.2 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | trans | -58.7 | 156.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | N203 D204 C205 | G201-N203 PolarHBondContact O-N 2.93Å; G201-D204 PolarHBondContact O-N 2.88Å; G201-C205 PolarHBondContact O-N 3.36Å | ||
| 202 | E | 78.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 82.8 Ų | 82.8 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -31.5 | -178.9 | 174.9 | 175.4 | -176.8 | 0 | 0 | 113.3 | H209 P245 | E202-H209 HydrophobicContact CB-CB 4.36Å; E202-H209 HydrophobicContact CG-CB 4.19Å; E202-P245 HydrophobicContact CG-CG 4Å |
| 203 | N | 77.7 | Confident | 84.9 | Confident | 106 Ų | 106 | 83 Ų | 83 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -28.7 | 179.1 | -64.3 | -64.1 | 0 | 0 | 0 | 114.1 | G201 H247 | G201-N203 PolarHBondContact O-N 2.93Å; N203-H247 WeakPolarHBondContact O-CB 3.36Å |
| 204 | D | 83.7 | Confident | 84.1 | Confident | 132 Ų | 132 | 85 Ų | 85 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -13.2 | -175.9 | -74.7 | -76.8 | 0 | 0 | 0 | 113.3 | G201 | G201-D204 PolarHBondContact O-N 2.88Š|
| 205 | C | 88.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.007 | 46% | 0.459 | C | S | . | . | trans | -68.6 | 142 | 174.8 | -161.1 | 0 | 0 | 0 | 0 | 111.4 | R200 G201 F207 H209 | R200-C205 HydrophobicContact CB-CB 4.37Å; G201-C205 PolarHBondContact O-N 3.36Å; C205-F207 VanDerWaalsContact C-N 3.26Å; C205-F207 PolarHBondContact O-N 2.91Å; C205-H209 WeakPolarHBondContact CB-NE2 3.33Å; C205-H209 PolarHBondContact SG-NE2 3.3Å | ||
| 206 | R | 86.9 | Confident | 83.3 | Confident | 172 Ų | 172 | 76.7 Ų | 76.7 | 65% | 0.649 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -79.3 | -11.9 | -179.9 | -178 | 165.2 | 170.5 | 166.9 | -2.4 | 113.4 | K251 | R206-K251 PolarHBondContact O-NZ 3.08Š|
| 207 | F | 89.1 | Confident | 83.2 | Confident | 64 Ų | 64 | 75.5 Ų | 75.5 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -122.5 | 157.9 | -176.1 | -56 | -71.5 | 0 | 0 | 0 | 109.6 | E188 C190 C205 | E188-F207 HydrophobicContact CB-CD1 3.95Å; E188-F207 HydrophobicContact CB-CE1 4.44Å; E188-F207 WeakPolarHBondContact OE2-CE1 3.35Å; C190-F207 HydrophobicContact CB-CB 3.72Å; C205-F207 VanDerWaalsContact C-N 3.26Å; C205-F207 PolarHBondContact O-N 2.91Å |
| 208 | A | 89.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 142.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | L187 E188 V189 C190 P210 V223 F242 L248 | L187-A208 HydrophobicContact CB-CB 4.04Å; L187-A208 HydrophobicContact CD1-CB 4.22Å; E188-A208 PolarHBondContact O-N 3.13Å; V189-A208 WeakPolarHBondContact CA-O 3.39Å; C190-A208 PolarHBondContact N-O 3.09Å; A208-P210 VanDerWaalsContact O-CD 3.3Å; A208-P210 WeakPolarHBondContact O-CD 3.5Å; A208-V223 HydrophobicContact CB-CG2 3.77Å; A208-F242 HydrophobicContact CB-CD1 4.42Å; A208-F242 HydrophobicContact CB-CE1 3.82Å; A208-F242 HydrophobicContact CB-CZ 4.25Å; A208-L248 HydrophobicContact CB-CD1 4.44Å |
| 209 | H | 89.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 81.2 Ų | 81.2 | 4% | 0.037 | 44% | 0.443 | C | S | . | . | trans | -110.9 | 84 | 170.9 | -71.6 | -164.9 | 0 | 0 | 0 | 108.8 | C190 Y193 C198 R200 E202 C205 S211 | C190-H209 VanDerWaalsContact CB-CD2 3.4Å; C190-H209 WeakPolarHBondContact CB-CD2 3.38Å; C190-H209 WeakPolarHBondContact CB-NE2 3.43Å; Y193-H209 HydrophobicContact CD1-CB 3.92Å; Y193-H209 AromaticContact CD1-CG 3.98Å; Y193-H209 HydrophobicContact CD2-CB 4.17Å; Y193-H209 AromaticContact CD2-CE1 3.66Å; Y193-H209 AromaticContact CD2-CG 3.66Å; Y193-H209 AromaticContact CD2-ND1 3.33Å; Y193-H209 VanDerWaalsContact CD2-ND1 3.33Å; Y193-H209 WeakPolarHBondContact CD2-ND1 3.49Å; Y193-H209 HydrophobicContact CE1-CB 3.88Å; Y193-H209 HydrophobicContact CE2-CB 4.13Å; Y193-H209 AromaticContact CE2-ND1 3.73Å; Y193-H209 HydrophobicContact CG-CB 4.06Å; Y193-H209 AromaticContact CG-CD2 3.79Å; Y193-H209 AromaticContact CG-CE1 3.99Å; Y193-H209 AromaticContact CG-CG 3.62Å; Y193-H209 AromaticContact CG-ND1 3.76Å; C198-H209 VanDerWaalsContact SG-CE1 3.58Å; R200-H209 PolarHBondContact O-CE1 3.45Å; R200-H209 VanDerWaalsContact O-CE1 3.31Å; E202-H209 HydrophobicContact CB-CB 4.36Å; E202-H209 HydrophobicContact CG-CB 4.19Å; C205-H209 WeakPolarHBondContact CB-NE2 3.33Å; C205-H209 PolarHBondContact SG-NE2 3.3Å; H209-S211 PolarHBondContact O-N 3Å | ||
| 210 | P | 86.8 | Confident | 82.3 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | trans | -73.6 | 121.5 | 175.6 | 30.3 | -33.2 | 0 | 0 | 0 | 110.4 | V189 A208 D212 I216 V223 F242 | V189-P210 HydrophobicContact CG1-CG 3.92Å; V189-P210 HydrophobicContact CG2-CG 3.91Å; A208-P210 VanDerWaalsContact O-CD 3.3Å; A208-P210 WeakPolarHBondContact O-CD 3.5Å; P210-D212 PolarHBondContact O-N 2.93Å; P210-I216 HydrophobicContact CG-CD1 3.79Å; P210-I216 HydrophobicContact CG-CG1 3.83Å; P210-V223 HydrophobicContact CB-CG1 3.98Å; P210-V223 HydrophobicContact CG-CG1 3.94Å; P210-F242 HydrophobicContact CB-CD2 4.49Å | ||
| 211 | S | 79.8 | Confident | 82.3 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 66% | 0.657 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -62.6 | -33.5 | 172.1 | -44.9 | 0 | 0 | 0 | 0 | 112.2 | H209 | H209-S211 PolarHBondContact O-N 3Š|
| 212 | D | 76.9 | Confident | 82.9 | Confident | 91 Ų | 91 | 73 Ų | 73 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | trans | -100.8 | 102.4 | 179.1 | -70.2 | -47.7 | 0 | 0 | 0 | 111.1 | P210 T214 M215 | P210-D212 PolarHBondContact O-N 2.93Å; D212-T214 PolarHBondContact O-N 3.04Å; D212-M215 HydrophobicContact CB-CE 4.17Å; D212-M215 HydrophobicContact CB-CG 4.15Å; D212-M215 PolarHBondContact O-N 2.84Å; D212-M215 VanDerWaalsContact O-N 3.07Å | ||
| 213 | S | 71.1 | Confident | 83.5 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -58 | -18.1 | 175.4 | -62 | 0 | 0 | 0 | 0 | 114 | M215 I216 | S213-M215 PolarHBondContact O-N 3.43Å; S213-I216 PolarHBondContact O-N 3.34Å |
| 214 | T | 74.1 | Confident | 84.1 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 80% | 0.798 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -70.8 | -14.4 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | D212 | D212-T214 PolarHBondContact O-N 3.04Š|
| 215 | M | 75.6 | Confident | 84.5 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 30% | 0.3 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -91 | -0.1 | 176.8 | -57.9 | -166.2 | -170.9 | 0 | 0 | 113.7 | D212 S213 | D212-M215 HydrophobicContact CB-CE 4.17Å; D212-M215 HydrophobicContact CB-CG 4.15Å; D212-M215 PolarHBondContact O-N 2.84Å; D212-M215 VanDerWaalsContact O-N 3.07Å; S213-M215 PolarHBondContact O-N 3.43Å |
| 216 | I | 84.7 | Confident | 84.6 | Confident | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.7 | -177.1 | -50.9 | 175.9 | 0 | 0 | 0 | 110.1 | V189 P210 S213 T218 V223 | V189-I216 HydrophobicContact CG1-CD1 4.29Å; V189-I216 HydrophobicContact CG2-CD1 4.39Å; V189-I216 HydrophobicContact CG2-CG1 4.21Å; V189-I216 HydrophobicContact CG2-CG2 4.15Å; P210-I216 HydrophobicContact CG-CD1 3.79Å; P210-I216 HydrophobicContact CG-CG1 3.83Å; S213-I216 PolarHBondContact O-N 3.34Å; I216-T218 PolarHBondContact O-N 3.19Å; I216-V223 HydrophobicContact CG1-CG1 3.98Å |
| 217 | D | 85.1 | Confident | 84.8 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 109.6 | 169 | -160.9 | -31.7 | 0 | 0 | 0 | 109.7 | R186 N219 D220 N221 T222 | R186-D217 IonicContact CZ-OD2 3.9Å; R186-D217 IonicContact NH1-OD2 3.95Å; R186-D217 PolarHBondContact NH1-OD2 2.92Å; R186-D217 IonicContact NH2-OD2 3.88Å; D217-N219 PolarHBondContact O-N 3.28Å; D217-N219 PolarHBondContact OD1-N 3.49Å; D217-N219 PolarHBondContact OD1-ND2 2.92Å; D217-D220 PolarHBondContact O-N 3.44Å; D217-N221 WeakPolarHBondContact O-CA 3.4Å; D217-N221 PolarHBondContact O-N 3.18Å; D217-T222 PolarHBondContact N-O 2.85Å |
| 218 | T | 83 | Confident | 84.9 | Confident | 125 Ų | 125 | 53.6 Ų | 53.6 | 77% | 0.767 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.6 | -175.4 | -51.4 | 0 | 0 | 0 | 0 | 113.2 | I216 | I216-T218 PolarHBondContact O-N 3.19Š|
| 219 | N | 83.1 | Confident | 85.1 | Confident | 142 Ų | 142 | 57.1 Ų | 57.1 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -37.2 | -177.2 | -56.2 | -80.5 | 0 | 0 | 0 | 112.4 | D217 | D217-N219 PolarHBondContact O-N 3.28Å; D217-N219 PolarHBondContact OD1-N 3.49Å; D217-N219 PolarHBondContact OD1-ND2 2.92Å |
| 220 | D | 81.3 | Confident | 85.1 | Confident | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -3.2 | -172.8 | -69.2 | -64.9 | 0 | 0 | 0 | 113.6 | D217 T222 | D217-D220 PolarHBondContact O-N 3.44Å; D220-T222 HydrophobicContact CB-CG2 4.15Å; D220-T222 PolarHBondContact O-N 3.45Å |
| 221 | N | 86.4 | Confident | 85.2 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.9 | -169.5 | -81.9 | 109.2 | 0 | 0 | 0 | 113 | V189 Q194 D217 | V189-N221 WeakPolarHBondContact CB-O 3.4Å; V189-N221 WeakPolarHBondContact CG2-O 3.49Å; V189-N221 PolarHBondContact N-O 3.36Å; Q194-N221 PolarHBondContact OE1-ND2 3.38Å; D217-N221 WeakPolarHBondContact O-CA 3.4Å; D217-N221 PolarHBondContact O-N 3.18Å |
| 222 | T | 89.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151.4 | -179.4 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | R186 L187 E188 D217 D220 | R186-T222 HydrophobicContact CB-CG2 4.42Å; L187-T222 CarbonylContact O-C 3.57Å; L187-T222 VanDerWaalsContact O-CA 3.23Å; L187-T222 WeakPolarHBondContact O-CA 3.44Å; L187-T222 WeakPolarHBondContact O-CB 3.3Å; E188-T222 HydrophobicContact CG-CG2 4.22Å; D217-T222 PolarHBondContact N-O 2.85Å; D220-T222 HydrophobicContact CB-CG2 4.15Å; D220-T222 PolarHBondContact O-N 3.45Å |
| 223 | V | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 145.4 | 168.4 | -70.1 | 0 | 0 | 0 | 0 | 110.3 | R186 L187 V189 A208 P210 I216 F242 | R186-V223 WeakPolarHBondContact CA-O 3.11Å; L187-V223 HydrophobicContact CB-CG2 4Å; L187-V223 PolarHBondContact N-O 3.17Å; L187-V223 PolarHBondContact O-N 3.38Å; V189-V223 HydrophobicContact CG2-CB 4.44Å; V189-V223 HydrophobicContact CG2-CG1 3.57Å; V189-V223 HydrophobicContact CG2-CG2 4.3Å; A208-V223 HydrophobicContact CB-CG2 3.77Å; P210-V223 HydrophobicContact CB-CG1 3.98Å; P210-V223 HydrophobicContact CG-CG1 3.94Å; I216-V223 HydrophobicContact CG1-CG1 3.98Å; V223-F242 HydrophobicContact CB-CB 4.43Å; V223-F242 HydrophobicContact CG2-CB 4.37Å; V223-F242 HydrophobicContact CG2-CD1 4.09Å; V223-F242 HydrophobicContact CG2-CG 4.27Å |
| 224 | T | 90.8 | Very high | 87.3 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.3 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | D185 R186 Y241 F242 | D185-T224 WeakPolarHBondContact OD2-CG2 3.41Å; R186-T224 PolarHBondContact NE-OG1 3.5Å; R186-T224 PolarHBondContact NH2-OG1 2.88Å; T224-Y241 HydrophobicContact CG2-CD1 3.82Å; T224-Y241 HydrophobicContact CG2-CE1 4.1Å; T224-F242 PolarHBondContact O-N 3.04Å |
| 225 | V | 91.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 151.5 | -174.6 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | D185 L187 M227 I230 P244 I252 | D185-V225 PolarHBondContact O-N 2.88Å; D185-V225 WeakPolarHBondContact OD1-CB 3.47Å; L187-V225 HydrophobicContact CB-CG2 4.39Å; L187-V225 HydrophobicContact CD1-CG2 3.73Å; L187-V225 HydrophobicContact CG-CG2 3.78Å; V225-M227 HydrophobicContact CB-CE 4.19Å; V225-M227 HydrophobicContact CG1-CE 3.98Å; V225-M227 PolarHBondContact O-N 3.19Å; V225-M227 VanDerWaalsContact O-N 3.12Å; V225-I230 HydrophobicContact CG1-CD1 3.96Å; V225-I230 HydrophobicContact CG1-CG1 3.68Å; V225-P244 HydrophobicContact CG1-CG 3.79Å; V225-P244 HydrophobicContact CG2-CG 4.47Å; V225-I252 HydrophobicContact CB-CD1 4.5Å; V225-I252 HydrophobicContact CG1-CD1 4.07Å; V225-I252 HydrophobicContact CG2-CD1 3.95Å |
| 226 | C | 92.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | trans | -76.3 | 97.7 | 167.6 | -171.3 | 0 | 0 | 0 | 0 | 110 | D228 Y229 I230 F242 H243 | C226-D228 PolarHBondContact O-N 3.24Å; C226-Y229 WeakPolarHBondContact O-CB 3.44Å; C226-Y229 PolarHBondContact O-N 2.91Å; C226-Y229 PolarHBondContact SG-N 3.35Å; C226-Y229 VanDerWaalsContact SG-N 3.43Å; C226-I230 PolarHBondContact O-N 3.33Å; C226-I230 VanDerWaalsContact O-N 3.14Å; C226-F242 PolarHBondContact N-O 2.89Å; C226-H243 WeakPolarHBondContact CB-CD2 3.39Å | ||
| 227 | M | 90.2 | Very high | 88.8 | Confident | 40 Ų | 40 | 73.6 Ų | 73.6 | 20% | 0.197 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54 | -37.1 | 173.9 | -82.1 | -61.3 | 103.4 | 0 | 0 | 113.5 | D185 V225 Y229 I230 K231 I252 Q256 | D185-M227 HydrophobicContact CB-CE 4.15Å; D185-M227 HydrophobicContact CB-CG 4.4Å; D185-M227 WeakPolarHBondContact OD1-CE 3.48Å; D185-M227 VanDerWaalsContact OD1-CG 3.31Å; D185-M227 WeakPolarHBondContact OD1-CG 3.43Å; V225-M227 HydrophobicContact CB-CE 4.19Å; V225-M227 HydrophobicContact CG1-CE 3.98Å; V225-M227 PolarHBondContact O-N 3.19Å; V225-M227 VanDerWaalsContact O-N 3.12Å; M227-Y229 VanDerWaalsContact C-N 3.33Å; M227-Y229 PolarHBondContact O-N 3.38Å; M227-I230 HydrophobicContact CE-CB 4.4Å; M227-I230 HydrophobicContact CE-CG1 3.87Å; M227-I230 PolarHBondContact O-N 3.42Å; M227-K231 WeakPolarHBondContact O-CE 3.46Å; M227-K231 WeakPolarHBondContact O-CG 3.38Å; M227-K231 PolarHBondContact O-N 2.94Å; M227-K231 VanDerWaalsContact O-N 3.07Å; M227-I252 HydrophobicContact CE-CG2 4.03Å; M227-Q256 PolarHBondContact SD-NE2 3.41Å |
| 228 | D | 91.4 | Very high | 88.8 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 177.3 | -70.7 | -49.6 | 0 | 0 | 0 | 113.2 | C226 K231 G232 R233 C234 | C226-D228 PolarHBondContact O-N 3.24Å; D228-K231 CarbonylContact O-C 3.51Å; D228-K231 PolarHBondContact O-N 3.39Å; D228-K231 WeakPolarHBondContact OD1-CE 3.23Å; D228-K231 IonicContact OD1-NZ 3.29Å; D228-K231 PolarHBondContact OD1-NZ 2.77Å; D228-G232 PolarHBondContact O-N 2.91Å; D228-R233 HydrophobicContact CB-CB 4.26Å; D228-R233 WeakPolarHBondContact O-CA 3.41Å; D228-R233 PolarHBondContact O-N 3.24Å; D228-R233 IonicContact OD1-CZ 3.54Å; D228-R233 IonicContact OD1-NE 3.85Å; D228-R233 IonicContact OD1-NH1 2.77Å; D228-R233 PolarHBondContact OD1-NH1 2.87Å; D228-R233 IonicContact OD1-NH2 3.61Å; D228-C234 HydrophobicContact CB-CB 4.04Å; D228-C234 PolarHBondContact O-N 3.27Å; D228-C234 VanDerWaalsContact O-N 3.09Å |
| 229 | Y | 93.1 | Very high | 89.1 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.7 | -46.1 | 169.9 | -176.8 | -108.6 | 0 | 0 | 0 | 111.6 | C226 M227 K231 G232 C234 H243 Q249 | C226-Y229 WeakPolarHBondContact O-CB 3.44Å; C226-Y229 PolarHBondContact O-N 2.91Å; C226-Y229 PolarHBondContact SG-N 3.35Å; C226-Y229 VanDerWaalsContact SG-N 3.43Å; M227-Y229 VanDerWaalsContact C-N 3.33Å; M227-Y229 PolarHBondContact O-N 3.38Å; Y229-K231 PolarHBondContact O-N 3.18Å; Y229-G232 PolarHBondContact O-N 2.94Å; Y229-C234 WeakPolarHBondContact CD2-O 3.26Å; Y229-H243 HydrophobicContact CD1-CB 3.88Å; Y229-H243 AromaticContact CD1-CG 3.87Å; Y229-H243 HydrophobicContact CD2-CB 4.44Å; Y229-H243 AromaticContact CD2-CE1 3.56Å; Y229-H243 AromaticContact CD2-CG 3.78Å; Y229-H243 AromaticContact CD2-ND1 3.49Å; Y229-H243 WeakPolarHBondContact CD2-ND1 3.46Å; Y229-H243 AromaticContact CD2-NE2 3.89Å; Y229-H243 HydrophobicContact CE1-CB 3.79Å; Y229-H243 HydrophobicContact CE2-CB 4.38Å; Y229-H243 AromaticContact CE2-ND1 3.69Å; Y229-H243 HydrophobicContact CG-CB 4.21Å; Y229-H243 AromaticContact CG-CD2 3.65Å; Y229-H243 AromaticContact CG-CE1 3.95Å; Y229-H243 AromaticContact CG-CG 3.68Å; Y229-H243 AromaticContact CG-ND1 3.88Å; Y229-H243 AromaticContact CG-NE2 3.82Å; Y229-Q249 VanDerWaalsContact CE1-NE2 3.33Å |
| 230 | I | 90.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.4 | -36.9 | 174.1 | -61.2 | -56.2 | 0 | 0 | 0 | 111.7 | V225 C226 M227 G232 P244 Q249 I252 K253 | V225-I230 HydrophobicContact CG1-CD1 3.96Å; V225-I230 HydrophobicContact CG1-CG1 3.68Å; C226-I230 PolarHBondContact O-N 3.33Å; C226-I230 VanDerWaalsContact O-N 3.14Å; M227-I230 HydrophobicContact CE-CB 4.4Å; M227-I230 HydrophobicContact CE-CG1 3.87Å; M227-I230 PolarHBondContact O-N 3.42Å; I230-G232 VanDerWaalsContact C-N 3.34Å; I230-P244 HydrophobicContact CD1-CG 3.68Å; I230-Q249 HydrophobicContact CD1-CB 4.14Å; I230-Q249 HydrophobicContact CD1-CG 3.82Å; I230-I252 HydrophobicContact CD1-CD1 4.06Å; I230-I252 HydrophobicContact CG1-CG2 4.43Å; I230-I252 HydrophobicContact CG2-CG2 4.3Å; I230-K253 HydrophobicContact CG2-CD 4.43Å; I230-K253 HydrophobicContact CG2-CG 3.83Å; I230-K253 WeakPolarHBondContact O-CE 3.39Å; I230-K253 PolarHBondContact O-NZ 3.31Å |
| 231 | K | 88.8 | Confident | 89.7 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.3 | 176.6 | -71.3 | 172 | -78.1 | 165.9 | 0 | 114.7 | M227 D228 Y229 R233 | M227-K231 WeakPolarHBondContact O-CE 3.46Å; M227-K231 WeakPolarHBondContact O-CG 3.38Å; M227-K231 PolarHBondContact O-N 2.94Å; M227-K231 VanDerWaalsContact O-N 3.07Å; D228-K231 CarbonylContact O-C 3.51Å; D228-K231 PolarHBondContact O-N 3.39Å; D228-K231 WeakPolarHBondContact OD1-CE 3.23Å; D228-K231 IonicContact OD1-NZ 3.29Å; D228-K231 PolarHBondContact OD1-NZ 2.77Å; Y229-K231 PolarHBondContact O-N 3.18Å; K231-R233 VanDerWaalsContact C-N 3.3Å; K231-R233 PolarHBondContact O-N 3.23Å |
| 232 | G | 89.9 | Confident | 89.9 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 22 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D228 Y229 I230 | D228-G232 PolarHBondContact O-N 2.91Å; Y229-G232 PolarHBondContact O-N 2.94Å; I230-G232 VanDerWaalsContact C-N 3.34Å |
| 233 | R | 90.3 | Very high | 90 | Very high | 176 Ų | 176 | 77.7 Ų | 77.7 | 66% | 0.664 | 37% | 0.374 | S | S | * | . | trans | -108 | -12.6 | -179.1 | -68.7 | -162.8 | -81.6 | 135.8 | -16.6 | 114.4 | D228 K231 | D228-R233 HydrophobicContact CB-CB 4.26Å; D228-R233 WeakPolarHBondContact O-CA 3.41Å; D228-R233 PolarHBondContact O-N 3.24Å; D228-R233 IonicContact OD1-CZ 3.54Å; D228-R233 IonicContact OD1-NE 3.85Å; D228-R233 IonicContact OD1-NH1 2.77Å; D228-R233 PolarHBondContact OD1-NH1 2.87Å; D228-R233 IonicContact OD1-NH2 3.61Å; K231-R233 VanDerWaalsContact C-N 3.3Å; K231-R233 PolarHBondContact O-N 3.23Å | ||
| 234 | C | 92 | Very high | 90 | Very high | 23 Ų | 23 | 77.7 Ų | 77.7 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | trans | -104 | 129 | 172.4 | -172 | 0 | 0 | 0 | 0 | 110.2 | D228 Y229 H243 | D228-C234 HydrophobicContact CB-CB 4.04Å; D228-C234 PolarHBondContact O-N 3.27Å; D228-C234 VanDerWaalsContact O-N 3.09Å; Y229-C234 WeakPolarHBondContact CD2-O 3.26Å; C234-H243 PolarHBondContact SG-NE2 3.35Å | ||
| 235 | S | 91.1 | Very high | 89.9 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | trans | -126.7 | 25.4 | 173.9 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 236 | R | 91.7 | Very high | 89.8 | Confident | 185 Ų | 185 | 80.2 Ų | 80.2 | 70% | 0.698 | 40% | 0.398 | S | S | * | . | trans | -88.8 | 112.6 | 179.8 | -76.2 | 179.7 | 153.8 | -171.8 | -8.6 | 110.8 | K238 C239 H243 | R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.03Å; R236-C239 HydrophobicContact CB-CB 4.39Å; R236-C239 PolarHBondContact O-N 2.98Å; R236-H243 PolarHBondContact O-CE1 2.93Å | ||
| 237 | E | 82.6 | Confident | 89.6 | Confident | 182 Ų | 182 | 84.5 Ų | 84.5 | 85% | 0.85 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -42 | 172.4 | -57.9 | -53.1 | 118.1 | 0 | 0 | 112.5 | ||
| 238 | K | 85.2 | Confident | 89.6 | Confident | 205 Ų | 205 | 82.7 Ų | 82.7 | 89% | 0.891 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 67.5 | 174.2 | -62.5 | -173.3 | -178.9 | -176 | 0 | 110.9 | R236 | R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.03Å |
| 239 | C | 88.6 | Confident | 89.5 | Confident | 22 Ų | 22 | 81.3 Ų | 81.3 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | trans | -77.7 | 149.6 | 173 | -166.5 | 0 | 0 | 0 | 0 | 111.2 | R236 Y241 H243 | R236-C239 HydrophobicContact CB-CB 4.39Å; R236-C239 PolarHBondContact O-N 2.98Å; C239-Y241 PolarHBondContact O-N 3.26Å; C239-H243 WeakPolarHBondContact CB-NE2 3.43Å; C239-H243 PolarHBondContact SG-NE2 3.38Å; C239-H243 VanDerWaalsContact SG-NE2 3.42Å | ||
| 240 | K | 88.2 | Confident | 89.3 | Confident | 165 Ų | 165 | 80.6 Ų | 80.6 | 72% | 0.717 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -66.3 | -20.9 | 172.7 | 179.6 | 177.6 | 176.6 | -175.6 | 0 | 112.7 | ||
| 241 | Y | 89.6 | Confident | 89.1 | Confident | 108 Ų | 108 | 84.8 Ų | 84.8 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -120.8 | 148.4 | -172.9 | -56.8 | -78.7 | 0 | 0 | 0 | 110.1 | T224 C239 H243 | T224-Y241 HydrophobicContact CG2-CD1 3.82Å; T224-Y241 HydrophobicContact CG2-CE1 4.1Å; C239-Y241 PolarHBondContact O-N 3.26Å; Y241-H243 PolarHBondContact O-CD2 3.39Å |
| 242 | F | 91.2 | Very high | 89.1 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 9% | 0.092 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -63 | 138 | -172.7 | -177.2 | -112.3 | 0 | 0 | 0 | 112.4 | L187 A208 P210 V223 T224 C226 P244 | L187-F242 HydrophobicContact CD1-CD1 4.35Å; L187-F242 HydrophobicContact CD1-CE1 4.32Å; A208-F242 HydrophobicContact CB-CD1 4.42Å; A208-F242 HydrophobicContact CB-CE1 3.82Å; A208-F242 HydrophobicContact CB-CZ 4.25Å; P210-F242 HydrophobicContact CB-CD2 4.49Å; V223-F242 HydrophobicContact CB-CB 4.43Å; V223-F242 HydrophobicContact CG2-CB 4.37Å; V223-F242 HydrophobicContact CG2-CD1 4.09Å; V223-F242 HydrophobicContact CG2-CG 4.27Å; T224-F242 PolarHBondContact O-N 3.04Å; C226-F242 PolarHBondContact N-O 2.89Å; F242-P244 HydrophobicContact CD1-CB 4.14Å; F242-P244 HydrophobicContact CE1-CB 3.81Å; F242-P244 WeakPolarHBondContact O-CD 3.3Å |
| 243 | H | 91.2 | Very high | 89.1 | Confident | 41 Ų | 41 | 81.3 Ų | 81.3 | 19% | 0.19 | 39% | 0.392 | C | S | . | . | trans | -104.8 | 90.4 | 177.7 | -79.1 | -167.7 | 0 | 0 | 0 | 109.8 | C226 Y229 C234 R236 C239 Y241 | C226-H243 WeakPolarHBondContact CB-CD2 3.39Å; Y229-H243 HydrophobicContact CD1-CB 3.88Å; Y229-H243 AromaticContact CD1-CG 3.87Å; Y229-H243 HydrophobicContact CD2-CB 4.44Å; Y229-H243 AromaticContact CD2-CE1 3.56Å; Y229-H243 AromaticContact CD2-CG 3.78Å; Y229-H243 AromaticContact CD2-ND1 3.49Å; Y229-H243 WeakPolarHBondContact CD2-ND1 3.46Å; Y229-H243 AromaticContact CD2-NE2 3.89Å; Y229-H243 HydrophobicContact CE1-CB 3.79Å; Y229-H243 HydrophobicContact CE2-CB 4.38Å; Y229-H243 AromaticContact CE2-ND1 3.69Å; Y229-H243 HydrophobicContact CG-CB 4.21Å; Y229-H243 AromaticContact CG-CD2 3.65Å; Y229-H243 AromaticContact CG-CE1 3.95Å; Y229-H243 AromaticContact CG-CG 3.68Å; Y229-H243 AromaticContact CG-ND1 3.88Å; Y229-H243 AromaticContact CG-NE2 3.82Å; C234-H243 PolarHBondContact SG-NE2 3.35Å; R236-H243 PolarHBondContact O-CE1 2.93Å; C239-H243 WeakPolarHBondContact CB-NE2 3.43Å; C239-H243 PolarHBondContact SG-NE2 3.38Å; C239-H243 VanDerWaalsContact SG-NE2 3.42Å; Y241-H243 PolarHBondContact O-CD2 3.39Å | ||
| 244 | P | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -68.7 | 148.6 | -172.8 | 23.4 | -33.5 | 0 | 0 | 0 | 113.8 | L187 V225 I230 F242 L248 Q249 I252 | L187-P244 HydrophobicContact CD1-CB 3.93Å; L187-P244 HydrophobicContact CD1-CG 4.4Å; V225-P244 HydrophobicContact CG1-CG 3.79Å; V225-P244 HydrophobicContact CG2-CG 4.47Å; I230-P244 HydrophobicContact CD1-CG 3.68Å; F242-P244 HydrophobicContact CD1-CB 4.14Å; F242-P244 HydrophobicContact CE1-CB 3.81Å; F242-P244 WeakPolarHBondContact O-CD 3.3Å; P244-L248 HydrophobicContact CB-CB 3.86Å; P244-Q249 HydrophobicContact CB-CG 4.5Å; P244-Q249 HydrophobicContact CG-CG 4.12Å; P244-Q249 VanDerWaalsContact O-CG 3.23Å; P244-Q249 WeakPolarHBondContact O-CG 3.47Å; P244-Q249 PolarHBondContact O-NE2 3.2Å; P244-I252 HydrophobicContact CG-CD1 3.99Å | ||
| 245 | P | 89.6 | Confident | 88.5 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 10% | 0.097 | 39% | 0.385 | C | S | . | . | trans | -64.2 | 161.4 | 172.2 | 29.5 | -39 | 0 | 0 | 0 | 112.3 | E202 H247 L248 Q249 | E202-P245 HydrophobicContact CG-CG 4Å; P245-H247 VanDerWaalsContact C-N 3.3Å; P245-H247 PolarHBondContact O-N 2.91Å; P245-H247 VanDerWaalsContact O-N 3.12Å; P245-L248 HydrophobicContact CG-CB 4.41Å; P245-L248 HydrophobicContact CG-CD1 4.07Å; P245-L248 HydrophobicContact CG-CG 4.23Å; P245-L248 PolarHBondContact O-N 2.94Å; P245-Q249 PolarHBondContact O-N 3.41Å | ||
| 246 | A | 89.1 | Confident | 88.2 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -52.4 | -40.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q249 A250 | A246-Q249 WeakPolarHBondContact O-CB 3.45Å; A246-Q249 PolarHBondContact O-N 3.48Å; A246-A250 PolarHBondContact O-N 3.45Å |
| 247 | H | 88.8 | Confident | 87.8 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.2 | 171.8 | -125.8 | 0 | 0 | 0 | 112.5 | N203 P245 A250 K251 | N203-H247 WeakPolarHBondContact O-CB 3.36Å; P245-H247 VanDerWaalsContact C-N 3.3Å; P245-H247 PolarHBondContact O-N 2.91Å; P245-H247 VanDerWaalsContact O-N 3.12Å; H247-A250 PolarHBondContact O-N 3.45Å; H247-K251 PolarHBondContact O-N 3.3Å |
| 248 | L | 88.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.1 | -31.2 | 178 | -64 | -178.2 | 0 | 0 | 0 | 112 | L187 A208 P244 P245 A250 K251 I252 | L187-L248 HydrophobicContact CD1-CB 4.27Å; L187-L248 HydrophobicContact CD1-CD1 4.23Å; A208-L248 HydrophobicContact CB-CD1 4.44Å; P244-L248 HydrophobicContact CB-CB 3.86Å; P245-L248 HydrophobicContact CG-CB 4.41Å; P245-L248 HydrophobicContact CG-CD1 4.07Å; P245-L248 HydrophobicContact CG-CG 4.23Å; P245-L248 PolarHBondContact O-N 2.94Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 2.8Å; L248-K251 HydrophobicContact CD2-CD 4.31Å; L248-K251 WeakPolarHBondContact O-CB 3.44Å; L248-K251 PolarHBondContact O-N 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.35Å; L248-I252 PolarHBondContact O-N 3.45Å; L248-I252 VanDerWaalsContact O-N 3.1Å |
| 249 | Q | 90.5 | Very high | 87 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 170.3 | -61.8 | -179.4 | 31 | 0 | 0 | 112.1 | Y229 I230 P244 P245 A246 I252 K253 | Y229-Q249 VanDerWaalsContact CE1-NE2 3.33Å; I230-Q249 HydrophobicContact CD1-CB 4.14Å; I230-Q249 HydrophobicContact CD1-CG 3.82Å; P244-Q249 HydrophobicContact CB-CG 4.5Å; P244-Q249 HydrophobicContact CG-CG 4.12Å; P244-Q249 VanDerWaalsContact O-CG 3.23Å; P244-Q249 WeakPolarHBondContact O-CG 3.47Å; P244-Q249 PolarHBondContact O-NE2 3.2Å; P245-Q249 PolarHBondContact O-N 3.41Å; A246-Q249 WeakPolarHBondContact O-CB 3.45Å; A246-Q249 PolarHBondContact O-N 3.48Å; Q249-I252 PolarHBondContact O-N 2.88Å; Q249-K253 WeakPolarHBondContact O-CB 3.38Å; Q249-K253 WeakPolarHBondContact O-CG 3.41Å; Q249-K253 PolarHBondContact O-N 3.39Å |
| 250 | A | 88.4 | Confident | 86.5 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A246 H247 L248 I252 K253 A254 | A246-A250 PolarHBondContact O-N 3.45Å; H247-A250 PolarHBondContact O-N 3.45Å; L248-A250 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 2.8Å; A250-I252 PolarHBondContact O-N 3.1Å; A250-K253 PolarHBondContact O-N 3.21Å; A250-A254 WeakPolarHBondContact O-CB 3.35Å; A250-A254 PolarHBondContact O-N 3.28Å |
| 251 | K | 86.7 | Confident | 85.7 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 174.8 | -173.1 | -174.2 | 177.8 | -166.5 | 0 | 112.2 | R206 H247 L248 A255 | R206-K251 PolarHBondContact O-NZ 3.08Å; H247-K251 PolarHBondContact O-N 3.3Å; L248-K251 HydrophobicContact CD2-CD 4.31Å; L248-K251 WeakPolarHBondContact O-CB 3.44Å; L248-K251 PolarHBondContact O-N 3.25Å; K251-A255 WeakPolarHBondContact O-CB 3.42Å; K251-A255 PolarHBondContact O-N 3.49Å |
| 252 | I | 89.2 | Confident | 84.6 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 177.9 | -66.2 | 161.3 | 0 | 0 | 0 | 111.4 | L187 V225 M227 I230 P244 L248 Q249 A250 A254 A255 Q256 | L187-I252 HydrophobicContact CD1-CD1 3.94Å; L187-I252 HydrophobicContact CD2-CD1 4.13Å; L187-I252 HydrophobicContact CD2-CG1 4.14Å; L187-I252 HydrophobicContact CG-CD1 4.05Å; V225-I252 HydrophobicContact CB-CD1 4.5Å; V225-I252 HydrophobicContact CG1-CD1 4.07Å; V225-I252 HydrophobicContact CG2-CD1 3.95Å; M227-I252 HydrophobicContact CE-CG2 4.03Å; I230-I252 HydrophobicContact CD1-CD1 4.06Å; I230-I252 HydrophobicContact CG1-CG2 4.43Å; I230-I252 HydrophobicContact CG2-CG2 4.3Å; P244-I252 HydrophobicContact CG-CD1 3.99Å; L248-I252 WeakPolarHBondContact O-CG1 3.35Å; L248-I252 PolarHBondContact O-N 3.45Å; L248-I252 VanDerWaalsContact O-N 3.1Å; Q249-I252 PolarHBondContact O-N 2.88Å; A250-I252 PolarHBondContact O-N 3.1Å; I252-A254 VanDerWaalsContact C-N 3.3Å; I252-A254 PolarHBondContact O-N 3.16Å; I252-A255 PolarHBondContact O-N 3.43Å; I252-Q256 HydrophobicContact CG2-CG 4.42Å; I252-Q256 WeakPolarHBondContact O-CB 3.45Å; I252-Q256 WeakPolarHBondContact O-CG 3.48Å; I252-Q256 PolarHBondContact O-N 3.18Å |
| 253 | K | 89.2 | Confident | 83.5 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -39 | 178.7 | -72.6 | 170.4 | 180 | 172.8 | 0 | 111.7 | I230 Q249 A250 H257 | I230-K253 HydrophobicContact CG2-CD 4.43Å; I230-K253 HydrophobicContact CG2-CG 3.83Å; I230-K253 WeakPolarHBondContact O-CE 3.39Å; I230-K253 PolarHBondContact O-NZ 3.31Å; Q249-K253 WeakPolarHBondContact O-CB 3.38Å; Q249-K253 WeakPolarHBondContact O-CG 3.41Å; Q249-K253 PolarHBondContact O-N 3.39Å; A250-K253 PolarHBondContact O-N 3.21Å; K253-H257 PolarHBondContact O-N 2.96Å |
| 254 | A | 85.8 | Confident | 82.1 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A250 I252 Q256 H257 Q258 | A250-A254 WeakPolarHBondContact O-CB 3.35Å; A250-A254 PolarHBondContact O-N 3.28Å; I252-A254 VanDerWaalsContact C-N 3.3Å; I252-A254 PolarHBondContact O-N 3.16Å; A254-Q256 PolarHBondContact O-N 2.93Å; A254-H257 PolarHBondContact O-N 3.4Å; A254-Q258 WeakPolarHBondContact O-CG 3.39Å; A254-Q258 PolarHBondContact O-N 3.43Å |
| 255 | A | 84.7 | Confident | 80.6 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T184 K251 I252 H257 Q258 V259 | T184-A255 WeakPolarHBondContact OG1-CB 3.37Å; K251-A255 WeakPolarHBondContact O-CB 3.42Å; K251-A255 PolarHBondContact O-N 3.49Å; I252-A255 PolarHBondContact O-N 3.43Å; A255-H257 VanDerWaalsContact C-N 3.35Å; A255-H257 PolarHBondContact O-N 3.21Å; A255-Q258 PolarHBondContact O-N 2.87Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.44Å |
| 256 | Q | 84.5 | Confident | 79.2 | Confident | 43 Ų | 43 | 64 Ų | 64 | 20% | 0.201 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 172 | -76.9 | 174.9 | -17.3 | 0 | 0 | 112.4 | T184 M227 I252 A254 Q258 V259 N260 | T184-Q256 HydrophobicContact CG2-CG 3.39Å; M227-Q256 PolarHBondContact SD-NE2 3.41Å; I252-Q256 HydrophobicContact CG2-CG 4.42Å; I252-Q256 WeakPolarHBondContact O-CB 3.45Å; I252-Q256 WeakPolarHBondContact O-CG 3.48Å; I252-Q256 PolarHBondContact O-N 3.18Å; A254-Q256 PolarHBondContact O-N 2.93Å; Q256-Q258 VanDerWaalsContact C-N 3.34Å; Q256-Q258 PolarHBondContact O-N 3.31Å; Q256-V259 PolarHBondContact O-N 3.35Å; Q256-N260 PolarHBondContact O-N 2.84Å; Q256-N260 PolarHBondContact O-OD1 2.93Å |
| 257 | H | 82.5 | Confident | 77.6 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 178.1 | -166.9 | 73.4 | 0 | 0 | 0 | 112.1 | K253 A254 A255 N260 Q261 | K253-H257 PolarHBondContact O-N 2.96Å; A254-H257 PolarHBondContact O-N 3.4Å; A255-H257 VanDerWaalsContact C-N 3.35Å; A255-H257 PolarHBondContact O-N 3.21Å; H257-N260 PolarHBondContact O-N 2.82Å; H257-Q261 WeakPolarHBondContact O-CB 3.49Å; H257-Q261 PolarHBondContact O-N 2.95Å |
| 258 | Q | 78.3 | Confident | 76.2 | Confident | 131 Ų | 131 | 66.4 Ų | 66.4 | 61% | 0.612 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 174.7 | -68.2 | 174.8 | 14.3 | 0 | 0 | 112.7 | A254 A255 Q256 Q261 A262 | A254-Q258 WeakPolarHBondContact O-CG 3.39Å; A254-Q258 PolarHBondContact O-N 3.43Å; A255-Q258 PolarHBondContact O-N 2.87Å; Q256-Q258 VanDerWaalsContact C-N 3.34Å; Q256-Q258 PolarHBondContact O-N 3.31Å; Q258-Q261 PolarHBondContact O-N 3Å; Q258-A262 WeakPolarHBondContact O-CB 3.44Å; Q258-A262 PolarHBondContact O-N 3.29Å |
| 259 | V | 73.7 | Confident | 74.1 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 13% | 0.127 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.2 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | K180 L181 A255 Q256 Q261 A262 A263 | K180-V259 HydrophobicContact CB-CG1 4.3Å; K180-V259 HydrophobicContact CB-CG2 4.25Å; L181-V259 HydrophobicContact CB-CG1 4.24Å; L181-V259 HydrophobicContact CD1-CG1 4.21Å; A255-V259 WeakPolarHBondContact O-CG2 3.25Å; A255-V259 PolarHBondContact O-N 3.44Å; Q256-V259 PolarHBondContact O-N 3.35Å; V259-Q261 PolarHBondContact O-N 3.34Å; V259-A262 PolarHBondContact O-N 2.9Å; V259-A263 WeakPolarHBondContact O-CB 3.32Å; V259-A263 PolarHBondContact O-N 3.38Å |
| 260 | N | 77.2 | Confident | 72.2 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176.9 | -76.6 | 23.9 | 0 | 0 | 0 | 112.3 | Q256 H257 A263 A264 | Q256-N260 PolarHBondContact O-N 2.84Å; Q256-N260 PolarHBondContact O-OD1 2.93Å; H257-N260 PolarHBondContact O-N 2.82Å; N260-A263 PolarHBondContact O-N 3.4Å; N260-A264 WeakPolarHBondContact O-CB 3.27Å; N260-A264 PolarHBondContact O-N 3.27Å |
| 261 | Q | 71.9 | Confident | 70 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 59% | 0.593 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.4 | -40.9 | 176 | -173 | 172.5 | 77.6 | 0 | 0 | 111.8 | H257 Q258 V259 A264 A265 | H257-Q261 WeakPolarHBondContact O-CB 3.49Å; H257-Q261 PolarHBondContact O-N 2.95Å; Q258-Q261 PolarHBondContact O-N 3Å; V259-Q261 PolarHBondContact O-N 3.34Å; Q261-A264 PolarHBondContact O-N 3.48Å; Q261-A265 WeakPolarHBondContact O-CB 3.36Å; Q261-A265 PolarHBondContact O-N 3.46Å |
| 262 | A | 67.3 | Low | 68.1 | Low | 52 Ų | 52 | 76.7 Ų | 76.7 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q258 V259 A265 A266 | Q258-A262 WeakPolarHBondContact O-CB 3.44Å; Q258-A262 PolarHBondContact O-N 3.29Å; V259-A262 PolarHBondContact O-N 2.9Å; A262-A265 PolarHBondContact O-N 3.44Å; A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 3.18Å |
| 263 | A | 67.4 | Low | 66.1 | Low | 44 Ų | 44 | 83 Ų | 83 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V259 N260 A266 A267 | V259-A263 WeakPolarHBondContact O-CB 3.32Å; V259-A263 PolarHBondContact O-N 3.38Å; N260-A263 PolarHBondContact O-N 3.4Å; A263-A266 PolarHBondContact O-N 2.89Å; A263-A267 WeakPolarHBondContact O-CB 2.98Å; A263-A267 PolarHBondContact O-N 3.22Å |
| 264 | A | 61.2 | Low | 64.2 | Low | 54 Ų | 54 | 85.5 Ų | 85.5 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | N260 Q261 A267 L268 | N260-A264 WeakPolarHBondContact O-CB 3.27Å; N260-A264 PolarHBondContact O-N 3.27Å; Q261-A264 PolarHBondContact O-N 3.48Å; A264-A267 PolarHBondContact O-N 2.95Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 2.97Å |
| 265 | A | 59.1 | Low | 62.7 | Low | 39 Ų | 39 | 88.1 Ų | 88.1 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q261 A262 A267 L268 L270 | Q261-A265 WeakPolarHBondContact O-CB 3.36Å; Q261-A265 PolarHBondContact O-N 3.46Å; A262-A265 PolarHBondContact O-N 3.44Å; A265-A267 PolarHBondContact O-N 3.21Å; A265-L268 PolarHBondContact O-N 3.42Å; A265-L268 VanDerWaalsContact O-N 3.16Å; A265-L270 PolarHBondContact O-N 3.23Å |
| 266 | A | 58.2 | Low | 60.7 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.4 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A262 A263 L268 G269 | A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 3.18Å; A263-A266 PolarHBondContact O-N 2.89Å; A266-L268 PolarHBondContact O-N 2.97Å; A266-G269 PolarHBondContact O-N 3.45Å |
| 267 | A | 56 | Low | 58.4 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -17.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A263 A264 A265 | A263-A267 WeakPolarHBondContact O-CB 2.98Å; A263-A267 PolarHBondContact O-N 3.22Å; A264-A267 PolarHBondContact O-N 2.95Å; A265-A267 PolarHBondContact O-N 3.21Å |
| 268 | L | 59.9 | Low | 56.6 | Low | 131 Ų | 131 | 97.9 Ų | 97.9 | 69% | 0.686 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 4.8 | 175.3 | -67.7 | 170.2 | 0 | 0 | 0 | 113.2 | A264 A265 A266 L270 | A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 2.97Å; A265-L268 PolarHBondContact O-N 3.42Å; A265-L268 VanDerWaalsContact O-N 3.16Å; A266-L268 PolarHBondContact O-N 2.97Å; L268-L270 HydrophobicContact CB-CD1 4.35Å; L268-L270 HydrophobicContact CB-CG 4.39Å; L268-L270 PolarHBondContact O-N 3.4Å |
| 269 | G | 44.7 | Very low | 54.5 | Low | 69 Ų | 69 | 101.4 Ų | 101.4 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.1 | 12.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A266 | A266-G269 PolarHBondContact O-N 3.45Š|
| 270 | L | 49.5 | Very low | 53 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 57% | 0.571 | 66% | 0.664 | S | S | * | * | trans | -83.8 | 134.8 | 179.6 | -65.6 | 171.8 | 0 | 0 | 0 | 110.3 | A265 L268 | A265-L270 PolarHBondContact O-N 3.23Å; L268-L270 HydrophobicContact CB-CD1 4.35Å; L268-L270 HydrophobicContact CB-CG 4.39Å; L268-L270 PolarHBondContact O-N 3.4Å | ||
| 271 | P | 42.9 | Very low | 51.1 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | trans | -63.7 | 151.9 | 176 | 27.9 | -34.6 | 0 | 0 | 0 | 110.6 | V273 | P271-V273 PolarHBondContact O-N 3.46Š| ||
| 272 | P | 46.6 | Very low | 49.1 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | trans | -66 | 102.4 | -177.9 | 27.3 | -34.3 | 0 | 0 | 0 | 110.4 | L274 | P272-L274 PolarHBondContact O-N 3.11Š| ||
| 273 | V | 48.3 | Very low | 48.1 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | trans | -63.3 | 109.1 | 169 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | P271 | P271-V273 PolarHBondContact O-N 3.46Š| ||
| 274 | L | 49.3 | Very low | 46.5 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -58.4 | 137 | 173.9 | -71.4 | 165.6 | 0 | 0 | 0 | 109.5 | P272 | P272-L274 PolarHBondContact O-N 3.11Š| ||
| 275 | P | 54.1 | Low | 45.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | -61.1 | 143.8 | 166.4 | 28 | -33.6 | 0 | 0 | 0 | 109.1 | L277 | P275-L277 PolarHBondContact O-N 3.32Š| ||
| 276 | P | 42.4 | Very low | 44 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -65.7 | 108.6 | -177.5 | 25.9 | -33.3 | 0 | 0 | 0 | 110.4 | ||||
| 277 | L | 36.2 | Very low | 42.8 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 128.2 | 170.4 | -82.4 | 164.4 | 0 | 0 | 0 | 109.6 | P275 K279 | P275-L277 PolarHBondContact O-N 3.32Å; L277-K279 PolarHBondContact O-N 3.46Å; L277-K279 VanDerWaalsContact O-N 3.08Å | ||
| 278 | P | 45.3 | Very low | 41.7 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -63.8 | 112 | 172.3 | -18.7 | 31.4 | 0 | 0 | 0 | 109.7 | R280 | P278-R280 PolarHBondContact O-N 3.28Š| ||
| 279 | K | 34.5 | Very low | 40.4 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.1 | 175 | -72.7 | -176.3 | 177.4 | 179.9 | 0 | 109.4 | L277 | L277-K279 PolarHBondContact O-N 3.46Å; L277-K279 VanDerWaalsContact O-N 3.08Å |
| 280 | R | 41 | Very low | 40.3 | Very low | 238 Ų | 238 | 141.4 Ų | 141.4 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134 | 162.5 | -70.4 | 177.4 | 172.2 | 167.3 | -4 | 108.5 | P278 A282 | P278-R280 PolarHBondContact O-N 3.28Å; R280-A282 PolarHBondContact O-N 3.12Å |
| 281 | P | 36.8 | Very low | 39.7 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.5 | 168.8 | -19.4 | 32.4 | 0 | 0 | 0 | 110 | ||
| 282 | A | 31.1 | Very low | 40 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R280 E284 | R280-A282 PolarHBondContact O-N 3.12Å; A282-E284 PolarHBondContact O-N 2.9Å |
| 283 | L | 45.1 | Very low | 39.7 | Very low | 166 Ų | 166 | 151 Ų | 151 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | trans | -76.2 | 115.3 | 176.1 | 173.3 | 72.3 | 0 | 0 | 0 | 110 | ||||
| 284 | E | 34.6 | Very low | 39.2 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -136.6 | 152.2 | 155.9 | -90 | -162.5 | 94.3 | 0 | 0 | 111.2 | A282 | A282-E284 PolarHBondContact O-N 2.9Š| ||
| 285 | K | 36.4 | Very low | 39.1 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 82% | 0.822 | 85% | 0.847 | S | S | * | * | trans | -127.7 | 106.8 | -161 | 176.6 | -179.6 | 177.2 | 179.1 | 0 | 110.2 | ||||
| 286 | A | 31.1 | Very low | 38.9 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -145.1 | 145.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 287 | N | 33.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -85.8 | 134.9 | -164.2 | -69.7 | -30.8 | 0 | 0 | 0 | 114.2 | ||||
| 288 | G | 33 | Very low | 40 | Very low | 81 Ų | 81 | 146.2 Ų | 146.2 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | 72.6 | 95.1 | 123.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 289 | A | 31.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -162.2 | 143.8 | 131.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 290 | N | 42.6 | Very low | 40.7 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -84.1 | 126 | -174.2 | -67.3 | -64.4 | 0 | 0 | 0 | 113 | ||||
| 291 | T | 36.5 | Very low | 41 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 129.5 | 140 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 292 | M | 50.6 | Low | 41.7 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -83.5 | 124.5 | 175.4 | -56.7 | 178.4 | -143.3 | 0 | 0 | 109.2 | ||||
| 293 | F | 38.8 | Very low | 42.5 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -140.9 | 125.6 | 158.1 | -117.9 | -85.6 | 0 | 0 | 0 | 111.6 | ||||
| 294 | N | 38.7 | Very low | 42.8 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -91.8 | 111.8 | -170.8 | 179.1 | -12.5 | 0 | 0 | 0 | 110.4 | G296 | N294-G296 PolarHBondContact O-N 3.31Å; N294-G296 VanDerWaalsContact O-N 3.11Å; N294-G296 PolarHBondContact OD1-N 3.28Å | ||
| 295 | A | 45.9 | Very low | 43.3 | Very low | 108 Ų | 108 | 134 Ų | 134 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 22.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 296 | G | 49.8 | Very low | 43.9 | Very low | 50 Ų | 50 | 132 Ų | 132 | 52% | 0.515 | 76% | 0.761 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.6 | -11.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | N294 | N294-G296 PolarHBondContact O-N 3.31Å; N294-G296 VanDerWaalsContact O-N 3.11Å; N294-G296 PolarHBondContact OD1-N 3.28Å |
| 297 | V | 54.2 | Low | 44.6 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -96.4 | -28.5 | -166.4 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | Q299 Y300 | V297-Q299 VanDerWaalsContact C-N 3.31Å; V297-Q299 PolarHBondContact O-N 3.16Å; V297-Y300 PolarHBondContact O-N 3.47Å |
| 298 | F | 49 | Very low | 44.9 | Very low | 180 Ų | 180 | 137 Ų | 137 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -70.6 | -23.1 | -171 | -138.8 | -96.8 | 0 | 0 | 0 | 114.3 | ||
| 299 | Q | 49.4 | Very low | 44.9 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -77.8 | -30.4 | 178 | -148.8 | 100.5 | 5.4 | 0 | 0 | 112.8 | V297 | V297-Q299 VanDerWaalsContact C-N 3.31Å; V297-Q299 PolarHBondContact O-N 3.16Å |
| 300 | Y | 45.6 | Very low | 45.1 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -76.2 | -36.2 | -177.2 | -168.8 | -103.7 | 0 | 0 | 0 | 111.8 | V297 Q302 A303 L304 | V297-Y300 PolarHBondContact O-N 3.47Å; Y300-Q302 VanDerWaalsContact C-N 3.33Å; Y300-Q302 PolarHBondContact O-N 2.99Å; Y300-A303 WeakPolarHBondContact O-CB 3.49Å; Y300-A303 PolarHBondContact O-N 3.04Å; Y300-L304 HydrophobicContact CD1-CD1 4.33Å; Y300-L304 HydrophobicContact CE1-CD1 3.96Å |
| 301 | Q | 46.6 | Very low | 44.8 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -70.5 | -28.1 | -178.3 | -159.9 | 163.2 | 34.1 | 0 | 0 | 113.1 | A303 | Q301-A303 VanDerWaalsContact C-N 3.32Å |
| 302 | Q | 50.9 | Low | 44.7 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -76.6 | -17.5 | 174.9 | -162.4 | 162.3 | 62.6 | 0 | 0 | 113.2 | Y300 | Y300-Q302 VanDerWaalsContact C-N 3.33Å; Y300-Q302 PolarHBondContact O-N 2.99Å |
| 303 | A | 47.3 | Very low | 43.9 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 53% | 0.529 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -78.7 | -26.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y300 Q301 | Y300-A303 WeakPolarHBondContact O-CB 3.49Å; Y300-A303 PolarHBondContact O-N 3.04Å; Q301-A303 VanDerWaalsContact C-N 3.32Å |
| 304 | L | 51.4 | Low | 43.6 | Very low | 119 Ų | 119 | 136 Ų | 136 | 62% | 0.623 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -80.9 | -21.8 | 179.8 | -71 | 166.9 | 0 | 0 | 0 | 113.4 | Y300 N306 | Y300-L304 HydrophobicContact CD1-CD1 4.33Å; Y300-L304 HydrophobicContact CE1-CD1 3.96Å; L304-N306 PolarHBondContact O-N 2.96Å |
| 305 | A | 46.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -6.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 306 | N | 47.4 | Very low | 42.6 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 12 | -172.7 | -114.6 | -35.8 | 0 | 0 | 0 | 114.7 | L304 | L304-N306 PolarHBondContact O-N 2.96Š|
| 307 | M | 45.9 | Very low | 41.9 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -104.8 | 12.2 | 177.9 | -78 | -67.8 | -173.3 | 0 | 0 | 114.5 | F309 | M307-F309 VanDerWaalsContact C-N 3.33Å; M307-F309 PolarHBondContact O-N 3.2Å | ||
| 308 | Q | 40.4 | Very low | 40.9 | Very low | 198 Ų | 198 | 144 Ų | 144 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | trans | -87.8 | 69.1 | 169.6 | -105.6 | -169.7 | -88.8 | 0 | 0 | 111.9 | ||||
| 309 | F | 33.7 | Very low | 40 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -74.9 | 133.3 | 153.5 | -164.7 | -92.9 | 0 | 0 | 0 | 109.1 | M307 Q311 | M307-F309 VanDerWaalsContact C-N 3.33Å; M307-F309 PolarHBondContact O-N 3.2Å; F309-Q311 PolarHBondContact O-N 3.37Å | ||
| 310 | Q | 35.8 | Very low | 39.6 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | trans | -58.6 | 92.9 | -177.1 | -173.9 | 179.4 | -73.7 | 0 | 0 | 112.7 | Q312 | Q310-Q312 HydrophobicContact CG-CG 4.18Å; Q310-Q312 PolarHBondContact O-N 3.45Å | ||
| 311 | Q | 36.7 | Very low | 39.2 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -73 | 115 | 152.1 | -76.6 | -165.6 | 31.7 | 0 | 0 | 108.1 | F309 A313 | F309-Q311 PolarHBondContact O-N 3.37Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 3.08Å; Q311-A313 VanDerWaalsContact O-N 3.1Å | ||
| 312 | Q | 34.5 | Very low | 38.6 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -77.7 | 89.5 | 164.7 | -78.1 | 167.7 | -30.1 | 0 | 0 | 108.2 | Q310 A314 | Q310-Q312 HydrophobicContact CG-CG 4.18Å; Q310-Q312 PolarHBondContact O-N 3.45Å; Q312-A314 PolarHBondContact O-N 3.35Å | ||
| 313 | A | 33.3 | Very low | 37.8 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -67.7 | 126.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q311 | Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 3.08Å; Q311-A313 VanDerWaalsContact O-N 3.1Å | ||
| 314 | A | 32.9 | Very low | 37.1 | Very low | 87 Ų | 87 | 140.3 Ų | 140.3 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 137.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q312 I316 | Q312-A314 PolarHBondContact O-N 3.35Å; A314-I316 PolarHBondContact O-N 3.11Å | ||
| 315 | F | 28.3 | Very low | 36.5 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -76 | 106.5 | 173.8 | -167.9 | -93.5 | 0 | 0 | 0 | 109.2 | P317 | F315-P317 WeakPolarHBondContact O-CD 3.41Š| ||
| 316 | I | 33.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -105 | 112.4 | 175.3 | -58.3 | 176.7 | 0 | 0 | 0 | 109 | A314 | A314-I316 PolarHBondContact O-N 3.11Š| ||
| 317 | P | 35.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -85.8 | 110.5 | 153.2 | 31.5 | -26.2 | 0 | 0 | 0 | 108.9 | F315 G319 | F315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-G319 PolarHBondContact O-N 3.43Å | ||
| 318 | S | 33.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -71.3 | 120.1 | 175 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 319 | G | 31.6 | Very low | 35.3 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -145.9 | 84.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P317 I321 | P317-G319 PolarHBondContact O-N 3.43Å; G319-I321 PolarHBondContact O-N 3.48Å | ||
| 320 | S | 39 | Very low | 35.4 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -80.8 | 113.8 | -177.5 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 321 | I | 38.1 | Very low | 35.4 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -131.3 | 147.8 | 154.4 | -69.7 | -170.7 | 0 | 0 | 0 | 109.2 | G319 | G319-I321 PolarHBondContact O-N 3.48Š| ||
| 322 | L | 34.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 128 Ų | 128 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -89.2 | 155.8 | -162.2 | -66.6 | 155.5 | 0 | 0 | 0 | 113.9 | ||||
| 323 | C | 32.3 | Very low | 35.8 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 71.4 | 144.9 | 137.7 | 76.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 324 | M | 33.3 | Very low | 35.9 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 91.3 | 127.7 | 151.3 | -57.3 | -124.9 | 72.5 | 0 | 0 | 120.5 | ||||
| 325 | T | 38.5 | Very low | 36 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 160.5 | 159.6 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | P | 47.2 | Very low | 36.1 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | -143.3 | 171.5 | 90.7 | 35.3 | -18.4 | 0 | 0 | 0 | 114.8 | |||||
| 327 | A | 39.8 | Very low | 36.1 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | -80.3 | 156.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 328 | T | 34.3 | Very low | 36.1 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | -173 | 157.7 | 126.1 | 26.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 329 | S | 35.4 | Very low | 36.8 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -42.7 | 151.6 | 170.9 | -47.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 330 | V | 36.2 | Very low | 37.1 | Very low | 143 Ų | 143 | 132 Ų | 132 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | -165.8 | 148.2 | 98.4 | -89.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 331 | V | 35.4 | Very low | 36.8 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -112.4 | 150.1 | 169.7 | -158.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 332 | P | 44.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | -132.4 | 123.4 | 122.4 | 6 | 16.1 | 0 | 0 | 0 | 111.8 | |||||
| 333 | M | 35.3 | Very low | 36.5 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 78% | 0.778 | 82% | 0.818 | S | S | * | * | 76 | 105.8 | 86.9 | -84.8 | -74.7 | -145.1 | 0 | 0 | 114.4 | |||||
| 334 | M | 34.9 | Very low | 36.5 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -172.2 | 92.3 | 136.2 | 45.3 | -164.8 | 72.1 | 0 | 0 | 111.6 | ||||
| 335 | H | 34.1 | Very low | 36.4 | Very low | 199 Ų | 199 | 125.4 Ų | 125.4 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -150.5 | 121.4 | 154.5 | -89.9 | 90.6 | 0 | 0 | 0 | 107.5 | ||||
| 336 | G | 30 | Very low | 36.2 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | -95.6 | 141 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 337 | A | 33.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 83% | 0.828 | S | S | * | * | trans | -144.6 | 139 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 338 | S | 36.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 155.5 | 171.9 | -75.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 339 | P | 47.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -92 | 167.8 | -159.7 | 36.3 | -37 | 0 | 0 | 0 | 115 | ||
| 340 | A | 38.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 155.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 341 | T | 33 | Very low | 35.7 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -161.3 | 146.1 | 154.3 | 12.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 342 | V | 33.1 | Very low | 36 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | 70.7 | 155.3 | 153.5 | -58 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 343 | S | 32.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -110.4 | 161.4 | -156.7 | -34.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 344 | A | 32.9 | Very low | 36.1 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -159.2 | 158.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 345 | A | 31.6 | Very low | 36 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -121.3 | 152.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 346 | T | 33.7 | Very low | 35.9 | Very low | 147 Ų | 147 | 118.7 Ų | 118.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -166.1 | 137 | 140 | 14.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 347 | T | 37.1 | Very low | 35.9 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -97.9 | -177.4 | 159.8 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 348 | P | 48.7 | Very low | 35.7 | Very low | 124 Ų | 124 | 119.2 Ų | 119.2 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | cis | -131.4 | -157.7 | 8.3 | 39 | -15.1 | 0 | 0 | 0 | 111.9 | ||||
| 349 | A | 33.5 | Very low | 35.5 | Very low | 75 Ų | 75 | 117.4 Ų | 117.4 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | cis | -162.8 | 160.9 | 11.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 350 | T | 31.3 | Very low | 34.8 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 58.4 | 147.1 | 152.3 | 28.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 351 | S | 32.2 | Very low | 34.4 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | cis | -156.4 | 149.4 | 6.6 | 43.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 352 | V | 41.6 | Very low | 34.6 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -120.2 | 157.7 | 155.9 | -92.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 353 | P | 51.2 | Low | 35.3 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | -140.6 | -157.9 | 57.7 | 37.1 | -12.2 | 0 | 0 | 0 | 112.6 | |||||
| 354 | F | 30.6 | Very low | 35.5 | Very low | 193 Ų | 193 | 124.3 Ų | 124.3 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | cis | -152.2 | -159.6 | 15.6 | -168.8 | -116.9 | 0 | 0 | 0 | 112.8 | ||||
| 355 | A | 33.4 | Very low | 35.6 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 53% | 0.529 | 77% | 0.767 | S | S | . | * | trans | -91.8 | -178.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 356 | T | 30.9 | Very low | 35.7 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -159.5 | 179.3 | 33.5 | -12.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 357 | A | 30.7 | Very low | 35.9 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | cis | -160 | 158.2 | 12.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 358 | T | 30.9 | Very low | 36 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | 40.6 | 98.8 | 129.9 | -39.1 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 359 | A | 30.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | 71.7 | 113 | 74.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 360 | N | 32.5 | Very low | 35.8 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | -178 | 138.8 | 122.1 | -100 | -35.3 | 0 | 0 | 0 | 115.8 | |||||
| 361 | Q | 31.4 | Very low | 36.2 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 71.1 | 120.4 | 147.1 | -64.2 | 174.1 | 31.2 | 0 | 0 | 123.1 | ||||
| 362 | I | 36.8 | Very low | 36.6 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -107.9 | -178.7 | 151.4 | -1.9 | 175.1 | 0 | 0 | 0 | 105.9 | ||||
| 363 | P | 47.4 | Very low | 36.6 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | -136.1 | 165.2 | -14.8 | 38.2 | -21.3 | 0 | 0 | 0 | 115.3 | ||||
| 364 | I | 36 | Very low | 36 | Very low | 176 Ų | 176 | 139 Ų | 139 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -136.5 | 140.9 | 145.9 | -63.5 | -173.6 | 0 | 0 | 0 | 109.7 | ||||
| 365 | I | 36.3 | Very low | 36.5 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -97.7 | 142.5 | -176.3 | -59.1 | 149.9 | 0 | 0 | 0 | 109 | ||||
| 366 | S | 33.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -163.3 | 139.9 | 135.3 | -131.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 367 | A | 37.6 | Very low | 37.2 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -115.6 | 126.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 368 | D | 38.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -141.6 | 79.4 | 169.5 | -107.1 | -53.7 | 0 | 0 | 0 | 110.4 | ||||
| 369 | H | 40.3 | Very low | 37.9 | Very low | 177 Ų | 177 | 154.8 Ų | 154.8 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | trans | -147.5 | 61.9 | 171.9 | -175.5 | -79.9 | 0 | 0 | 0 | 110 | ||||
| 370 | L | 38.9 | Very low | 38.3 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -164.4 | 41.5 | 160.4 | -142.6 | 70.6 | 0 | 0 | 0 | 119.1 | ||||
| 371 | T | 38.5 | Very low | 38.6 | Very low | 142 Ų | 142 | 159.2 Ų | 159.2 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | trans | -144.6 | 90.8 | 170.4 | -33.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 372 | S | 39.8 | Very low | 39 | Very low | 114 Ų | 114 | 158.3 Ų | 158.3 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -173.8 | 76.5 | 136.8 | -161.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 373 | H | 42.3 | Very low | 39.1 | Very low | 185 Ų | 185 | 158 Ų | 158 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | trans | -158.1 | 61.1 | 163.6 | -124.2 | -80 | 0 | 0 | 0 | 112.9 | ||||
| 374 | K | 39.6 | Very low | 38.6 | Very low | 206 Ų | 206 | 161.6 Ų | 161.6 | 90% | 0.896 | 85% | 0.853 | S | S | * | * | trans | -134.1 | 102.4 | 160.8 | -74.4 | -167 | 176.9 | -178.9 | 0 | 110.6 | ||||
| 375 | Y | 40.8 | Very low | 38.8 | Very low | 223 Ų | 223 | 160.7 Ų | 160.7 | 88% | 0.875 | 85% | 0.85 | S | S | * | * | trans | -56.2 | 146.5 | 151.9 | -101.3 | -110.5 | 0 | 0 | 0 | 110 | ||||
| 376 | V | 39.8 | Very low | 39 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 78% | 0.776 | 86% | 0.856 | S | S | * | * | trans | 156.2 | 99.2 | 158.2 | 152.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 377 | T | 38.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 165.2 Ų | 165.2 | 75% | 0.748 | 86% | 0.861 | S | S | * | * | 94.8 | 145.3 | 89.7 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 378 | Q | 39.1 | Very low | 39.5 | Very low | 179 Ų | 179 | 171.6 Ų | 171.6 | 84% | 0.836 | 87% | 0.872 | S | S | * | * | trans | 65.9 | 103 | -179.7 | -82.1 | 177.7 | 20.2 | 0 | 0 | 116.1 | ||||
| 379 | M | 38.5 | Very low | 39.6 | Very low | 267 Ų | 267 | 172.9 Ų | 172.9 | 100% | 1.315 | 88% | 0.875 | S | S | * | * | -140.9 | 0 | 91.5 | -53.8 | -171.6 | -148.4 | 0 | 0 | 108.7 |
Retrieved 379 of 379 residues in 510.8 ms
(Link to these results)