| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.5 | Very low | 68.2 | Low | 232 Ų | 232 | 82.1 Ų | 82.1 | 100% | 1.143 | 47% | 0.465 | S | S | * | . | 0 | 140.3 | 0 | -73.9 | 166.9 | -171.1 | 0 | 0 | 106.2 | D3 | M1-D3 PolarHBondContact O-N 3.29Š| |||
| 2 | S | 49.8 | Very low | 69.5 | Low | 94 Ų | 94 | 81 Ų | 81 | 66% | 0.657 | 46% | 0.464 | S | S | * | . | trans | -61 | 124.2 | 165.7 | 46.5 | 0 | 0 | 0 | 0 | 107.2 | C4 | S2-C4 PolarHBondContact O-N 3.1Š| ||
| 3 | D | 56.7 | Low | 70.6 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | trans | -61.3 | 120.6 | 170 | -69.3 | -18.1 | 0 | 0 | 0 | 107.1 | M1 E68 S70 | M1-D3 PolarHBondContact O-N 3.29Å; D3-E68 VanDerWaalsContact O-O 3.06Å; D3-S70 WeakPolarHBondContact OD2-CB 3.4Å; D3-S70 PolarHBondContact OD2-OG 3.21Å | ||
| 4 | C | 56.7 | Low | 71.5 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | trans | -111.4 | 121.5 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 107.1 | S2 | S2-C4 PolarHBondContact O-N 3.1Š| ||
| 5 | S | 65.8 | Low | 72.3 | Confident | 53 Ų | 53 | 88.3 Ų | 88.3 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | trans | -92.3 | 155.8 | 165 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | V66 | S5-V66 CarbonylContact C-O 3.58Å; S5-V66 PolarHBondContact OG-O 3.38Å | ||
| 6 | V | 67.5 | Low | 73.2 | Confident | 48 Ų | 48 | 91.8 Ų | 91.8 | 29% | 0.291 | 50% | 0.497 | S | S | . | . | trans | -133.4 | 128.9 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | L8 V49 S64 L65 | V6-L8 HydrophobicContact CG1-CD2 4.31Å; V6-V49 HydrophobicContact CG1-CG2 4.06Å; V6-S64 WeakPolarHBondContact CG1-O 3.33Å; V6-L65 HydrophobicContact CG1-CG 4.36Å; V6-L65 HydrophobicContact CG2-CD2 3.97Å; V6-L65 HydrophobicContact CG2-CG 4.04Å | ||
| 7 | E | 74 | Confident | 74 | Confident | 122 Ų | 122 | 94.1 Ų | 94.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | trans | -92.4 | 120.8 | 177 | -168.6 | 179.6 | 171.1 | 0 | 0 | 109.3 | S9 N62 S64 | E7-S9 VanDerWaalsContact C-N 3.33Å; E7-S9 PolarHBondContact O-N 3.15Å; E7-N62 PolarHBondContact O-ND2 2.84Å; E7-S64 PolarHBondContact N-O 3.35Å; E7-S64 WeakPolarHBondContact O-CB 3.45Å; E7-S64 VanDerWaalsContact O-O 3.05Å | ||
| 8 | L | 81.4 | Confident | 74.7 | Confident | 48 Ų | 48 | 91.8 Ų | 91.8 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | trans | -85.3 | 71.4 | -175 | -59.6 | -179.6 | 0 | 0 | 0 | 111.3 | V6 L10 I11 I37 V49 | V6-L8 HydrophobicContact CG1-CD2 4.31Å; L8-L10 PolarHBondContact O-N 3.29Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L8-I11 HydrophobicContact CB-CB 4.25Å; L8-I11 HydrophobicContact CB-CD1 3.99Å; L8-I11 HydrophobicContact CB-CG1 4.3Å; L8-I11 HydrophobicContact CD1-CD1 3.76Å; L8-I11 HydrophobicContact CG-CD1 4.41Å; L8-I11 PolarHBondContact O-N 2.97Å; L8-I37 HydrophobicContact CD1-CD1 3.67Å; L8-I37 HydrophobicContact CD1-CG1 4.3Å; L8-I37 HydrophobicContact CD1-CG2 4.49Å; L8-V49 HydrophobicContact CD2-CG1 3.64Å | ||
| 9 | S | 82.7 | Confident | 75.4 | Confident | 68 Ų | 68 | 88.4 Ų | 88.4 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.5 | -178.2 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | E7 I11 N62 S64 | E7-S9 VanDerWaalsContact C-N 3.33Å; E7-S9 PolarHBondContact O-N 3.15Å; S9-I11 VanDerWaalsContact C-N 3.27Å; S9-N62 PolarHBondContact N-OD1 2.86Å; S9-N62 VanDerWaalsContact N-OD1 3.09Å; S9-N62 PolarHBondContact OG-OD1 3.41Å; S9-S64 WeakPolarHBondContact CB-OG 3.39Å; S9-S64 WeakPolarHBondContact OG-CB 3.28Å; S9-S64 PolarHBondContact OG-OG 3.23Å |
| 10 | L | 84.6 | Confident | 76.2 | Confident | 59 Ų | 59 | 85.7 Ų | 85.7 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.5 | 176.6 | -65.7 | 179.1 | 0 | 0 | 0 | 113.5 | L8 V51 E60 N62 | L8-L10 PolarHBondContact O-N 3.29Å; L8-L10 VanDerWaalsContact O-N 3.11Å; L10-V51 HydrophobicContact CB-CB 4.22Å; L10-V51 HydrophobicContact CB-CG2 4.05Å; L10-V51 HydrophobicContact CD1-CB 4.18Å; L10-V51 HydrophobicContact CD1-CG2 4.24Å; L10-E60 HydrophobicContact CD1-CB 3.7Å; L10-N62 HydrophobicContact CD1-CB 3.99Å; L10-N62 HydrophobicContact CG-CB 4.33Å; L10-N62 PolarHBondContact N-OD1 3.08Å |
| 11 | I | 84.2 | Confident | 76.8 | Confident | 21 Ų | 21 | 84.3 Ų | 84.3 | 11% | 0.108 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -114.9 | 130 | -175.6 | -60.9 | 176.6 | 0 | 0 | 0 | 107.8 | L8 S9 Q15 F35 I37 V51 | L8-I11 HydrophobicContact CB-CB 4.25Å; L8-I11 HydrophobicContact CB-CD1 3.99Å; L8-I11 HydrophobicContact CB-CG1 4.3Å; L8-I11 HydrophobicContact CD1-CD1 3.76Å; L8-I11 HydrophobicContact CG-CD1 4.41Å; L8-I11 PolarHBondContact O-N 2.97Å; S9-I11 VanDerWaalsContact C-N 3.27Å; I11-Q15 HydrophobicContact CG2-CB 4.08Å; I11-Q15 HydrophobicContact CG2-CG 3.67Å; I11-F35 HydrophobicContact CG2-CD2 4.45Å; I11-I37 HydrophobicContact CD1-CD1 3.41Å; I11-I37 VanDerWaalsContact CD1-CD1 3.41Å; I11-I37 HydrophobicContact CD1-CG1 3.31Å; I11-V51 HydrophobicContact CD1-CG1 4.19Å; I11-V51 HydrophobicContact CD1-CG2 3.96Å; I11-V51 HydrophobicContact CG1-CG1 3.89Å; I11-V51 HydrophobicContact CG1-CG2 4.05Å |
| 12 | P | 83.7 | Confident | 78.9 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | trans | -54.6 | 146.2 | 175.2 | -24.1 | 33.5 | 0 | 0 | 0 | 111.3 | Q15 F35 | P12-Q15 HydrophobicContact CB-CG 4.41Å; P12-Q15 WeakPolarHBondContact O-CG 3.4Å; P12-F35 HydrophobicContact CG-CE2 4.17Å; P12-F35 HydrophobicContact CG-CZ 4.31Å | ||
| 13 | E | 83.8 | Confident | 80.8 | Confident | 168 Ų | 168 | 72.8 Ų | 72.8 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 155.9 | 174.9 | -65.4 | -179.7 | -177.2 | 0 | 0 | 111.6 | Q15 | E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.32Å |
| 14 | N | 83 | Confident | 82.1 | Confident | 155 Ų | 155 | 77.6 Ų | 77.6 | 83% | 0.829 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 25.1 | 174.3 | -51.7 | -59 | 0 | 0 | 0 | 116.1 | ||
| 15 | Q | 83.7 | Confident | 83.5 | Confident | 30 Ų | 30 | 76.5 Ų | 76.5 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 140.5 | 171.4 | -68.9 | -86.3 | -20 | 0 | 0 | 111.1 | I11 P12 E13 T31 D32 | I11-Q15 HydrophobicContact CG2-CB 4.08Å; I11-Q15 HydrophobicContact CG2-CG 3.67Å; P12-Q15 HydrophobicContact CB-CG 4.41Å; P12-Q15 WeakPolarHBondContact O-CG 3.4Å; E13-Q15 VanDerWaalsContact C-N 3.34Å; E13-Q15 PolarHBondContact O-N 3.32Å; Q15-T31 HydrophobicContact CB-CG2 4.47Å; Q15-T31 PolarHBondContact OE1-OG1 3.38Å; Q15-T31 VanDerWaalsContact OE1-OG1 3.08Å; Q15-D32 PolarHBondContact OE1-OD1 3.33Å; Q15-D32 VanDerWaalsContact OE1-OD1 3.14Å |
| 16 | K | 86.4 | Confident | 84.6 | Confident | 144 Ų | 144 | 74.3 Ų | 74.3 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -93.4 | 134 | 175.3 | -62.4 | 179 | -178.4 | 176.6 | 0 | 110 | L18 T31 D32 | K16-L18 PolarHBondContact O-N 3.32Å; K16-T31 CarbonylContact O-C 3.57Å; K16-T31 WeakPolarHBondContact O-CA 3.46Å; K16-D32 HydrophobicContact CB-CB 4.24Å; K16-D32 PolarHBondContact N-OD1 3.49Å; K16-D32 PolarHBondContact O-N 2.85Å |
| 17 | F | 87.6 | Confident | 85.7 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 58% | 0.575 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121.8 | 167.2 | -67.3 | -79.4 | 0 | 0 | 0 | 109.4 | F29 I37 | F17-F29 HydrophobicContact CD1-CB 3.98Å; F17-F29 HydrophobicContact CE1-CB 4.01Å; F17-I37 HydrophobicContact CD1-CD1 4.48Å; F17-I37 HydrophobicContact CE1-CD1 3.56Å; F17-I37 HydrophobicContact CZ-CD1 4.27Å |
| 18 | L | 87 | Confident | 86.6 | Confident | 52 Ų | 52 | 68 Ų | 68 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -45.1 | 177.8 | -69.2 | -174.5 | 0 | 0 | 0 | 111.9 | K16 L30 D32 F101 | K16-L18 PolarHBondContact O-N 3.32Å; L18-L30 HydrophobicContact CB-CG 4.5Å; L18-L30 PolarHBondContact N-O 3.36Å; L18-D32 HydrophobicContact CD1-CB 4.27Å; L18-D32 HydrophobicContact CD2-CB 3.88Å; L18-D32 HydrophobicContact CG-CB 4Å; L18-F101 HydrophobicContact CD1-CB 4.37Å; L18-F101 HydrophobicContact CD1-CD2 4.28Å |
| 19 | S | 87.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 166 | -177.3 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | L30 | S19-L30 PolarHBondContact O-N 3.19Å |
| 20 | C | 90.7 | Very high | 87.5 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153 | 168.8 | 67.4 | 0 | 0 | 0 | 0 | 109.6 | Y28 F29 | C20-Y28 CarbonylContact C-O 3.53Å; C20-Y28 WeakPolarHBondContact CA-O 3.36Å; C20-Y28 VanDerWaalsContact CB-O 3.31Å; C20-Y28 WeakPolarHBondContact CB-O 3.49Å; C20-F29 HydrophobicContact CB-CD1 3.53Å; C20-F29 HydrophobicContact CB-CE1 3.81Å; C20-F29 HydrophobicContact CB-CG 4.27Å |
| 21 | D | 90.1 | Very high | 87.7 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 174.2 | 176.3 | -162 | -0.7 | 0 | 0 | 0 | 108.8 | Y28 L103 C105 | D21-Y28 PolarHBondContact N-O 3.42Å; D21-Y28 PolarHBondContact O-N 3.19Å; D21-L103 HydrophobicContact CB-CD2 3.84Å; D21-L103 HydrophobicContact CB-CG 4.43Å; D21-C105 HydrophobicContact CB-CB 4.13Å; D21-C105 VanDerWaalsContact OD2-CB 3.27Å; D21-C105 WeakPolarHBondContact OD2-CB 3.2Å; D21-C105 PolarHBondContact OD2-N 2.95Å |
| 22 | S | 90.5 | Very high | 87.8 | Confident | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 147.7 | -175.9 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | A26 C105 | S22-A26 WeakPolarHBondContact CA-O 3.45Å; S22-C105 WeakPolarHBondContact O-CB 3.48Å |
| 23 | T | 89 | Confident | 88 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | trans | -101 | 178.2 | 163.2 | 66.5 | 0 | 0 | 0 | 0 | 108.5 | A25 A26 Y28 C105 D107 V110 | T23-A25 PolarHBondContact O-N 3.21Å; T23-A25 VanDerWaalsContact O-N 3.14Å; T23-A25 PolarHBondContact OG1-N 3.26Å; T23-A26 PolarHBondContact N-O 2.94Å; T23-A26 PolarHBondContact OG1-N 2.71Å; T23-A26 VanDerWaalsContact OG1-N 3.13Å; T23-A26 PolarHBondContact OG1-O 3.15Å; T23-Y28 HydrophobicContact CG2-CD2 4.27Å; T23-Y28 HydrophobicContact CG2-CE2 3.52Å; T23-C105 HydrophobicContact CG2-CB 4.08Å; T23-D107 WeakPolarHBondContact CA-O 3.38Å; T23-D107 WeakPolarHBondContact CB-O 3.27Å; T23-V110 HydrophobicContact CG2-CG2 3.53Å | ||
| 24 | W | 84.3 | Confident | 88.1 | Confident | 189 Ų | 189 | 60.6 Ų | 60.6 | 72% | 0.716 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -62.2 | -19.5 | 171.6 | 72.5 | -100.9 | 0 | 0 | 0 | 113.2 | D107 | W24-D107 PolarHBondContact N-O 3.44Š|
| 25 | A | 85.4 | Confident | 88.4 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -108.8 | -22.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T23 | T23-A25 PolarHBondContact O-N 3.21Å; T23-A25 VanDerWaalsContact O-N 3.14Å; T23-A25 PolarHBondContact OG1-N 3.26Å |
| 26 | A | 89.2 | Confident | 88.8 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 153.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S22 T23 Y28 R38 C39 | S22-A26 WeakPolarHBondContact CA-O 3.45Å; T23-A26 PolarHBondContact N-O 2.94Å; T23-A26 PolarHBondContact OG1-N 2.71Å; T23-A26 VanDerWaalsContact OG1-N 3.13Å; T23-A26 PolarHBondContact OG1-O 3.15Å; A26-Y28 HydrophobicContact CB-CD2 4.43Å; A26-Y28 HydrophobicContact CB-CE2 3.65Å; A26-Y28 WeakPolarHBondContact O-CE2 3.41Å; A26-R38 HydrophobicContact CB-CG 3.69Å; A26-C39 VanDerWaalsContact CA-O 3.31Å; A26-C39 WeakPolarHBondContact CA-O 3.38Å; A26-C39 WeakPolarHBondContact CB-O 3.21Å |
| 27 | A | 91.4 | Very high | 89 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 144.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F29 C39 | A27-F29 HydrophobicContact CB-CE2 4.04Å; A27-F29 HydrophobicContact CB-CZ 4.33Å; A27-C39 PolarHBondContact N-O 2.91Å; A27-C39 PolarHBondContact O-N 2.89Å |
| 28 | Y | 92.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.3 | -178.3 | -64.1 | -99.1 | 0 | 0 | 0 | 109.9 | C20 D21 T23 A26 V36 I37 R38 W59 V110 D126 | C20-Y28 CarbonylContact C-O 3.53Å; C20-Y28 WeakPolarHBondContact CA-O 3.36Å; C20-Y28 VanDerWaalsContact CB-O 3.31Å; C20-Y28 WeakPolarHBondContact CB-O 3.49Å; D21-Y28 PolarHBondContact N-O 3.42Å; D21-Y28 PolarHBondContact O-N 3.19Å; T23-Y28 HydrophobicContact CG2-CD2 4.27Å; T23-Y28 HydrophobicContact CG2-CE2 3.52Å; A26-Y28 HydrophobicContact CB-CD2 4.43Å; A26-Y28 HydrophobicContact CB-CE2 3.65Å; A26-Y28 WeakPolarHBondContact O-CE2 3.41Å; Y28-V36 HydrophobicContact CD1-CG1 4.05Å; Y28-I37 CarbonylContact C-O 3.48Å; Y28-I37 WeakPolarHBondContact CA-O 3.42Å; Y28-R38 HydrophobicContact CD1-CB 3.95Å; Y28-R38 HydrophobicContact CD1-CG 4.1Å; Y28-R38 HydrophobicContact CE1-CB 3.74Å; Y28-R38 HydrophobicContact CE1-CG 3.52Å; Y28-R38 HydrophobicContact CE2-CG 4.46Å; Y28-R38 WeakPolarHBondContact OH-CD 3.46Å; Y28-W59 HydrophobicContact CD1-CH2 4.16Å; Y28-W59 HydrophobicContact CE1-CH2 4.04Å; Y28-W59 HydrophobicContact CE1-CZ2 4.3Å; Y28-V110 HydrophobicContact CD1-CG1 4.23Å; Y28-V110 HydrophobicContact CD1-CG2 4.11Å; Y28-V110 HydrophobicContact CD2-CG2 4.03Å; Y28-V110 HydrophobicContact CE1-CB 4.35Å; Y28-V110 HydrophobicContact CE1-CG1 4.42Å; Y28-V110 HydrophobicContact CE1-CG2 3.65Å; Y28-V110 HydrophobicContact CE2-CG2 3.61Å; Y28-V110 HydrophobicContact CG-CG1 4.49Å; Y28-V110 HydrophobicContact CG-CG2 4.28Å; Y28-D126 HydrophobicContact CE1-CB 4.32Å; Y28-D126 PolarHBondContact OH-OD2 2.84Å |
| 29 | F | 92.1 | Very high | 89.4 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.8 | 176.5 | -53.5 | -96.8 | 0 | 0 | 0 | 109.3 | F17 C20 A27 V36 I37 C39 | F17-F29 HydrophobicContact CD1-CB 3.98Å; F17-F29 HydrophobicContact CE1-CB 4.01Å; C20-F29 HydrophobicContact CB-CD1 3.53Å; C20-F29 HydrophobicContact CB-CE1 3.81Å; C20-F29 HydrophobicContact CB-CG 4.27Å; A27-F29 HydrophobicContact CB-CE2 4.04Å; A27-F29 HydrophobicContact CB-CZ 4.33Å; F29-V36 CarbonylContact O-C 3.56Å; F29-V36 WeakPolarHBondContact O-CA 3.4Å; F29-I37 HydrophobicContact CB-CB 4.17Å; F29-I37 HydrophobicContact CB-CD1 4.16Å; F29-I37 HydrophobicContact CD2-CB 4.47Å; F29-I37 HydrophobicContact CD2-CG2 4.47Å; F29-I37 PolarHBondContact N-O 3.03Å; F29-I37 PolarHBondContact O-N 2.77Å; F29-C39 HydrophobicContact CE2-CB 4.29Å |
| 30 | L | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.8 | -179.2 | -179.9 | 65.2 | 0 | 0 | 0 | 110.1 | L18 S19 F35 V36 F101 L103 M112 | L18-L30 HydrophobicContact CB-CG 4.5Å; L18-L30 PolarHBondContact N-O 3.36Å; S19-L30 PolarHBondContact O-N 3.19Å; L30-F35 WeakPolarHBondContact CA-O 3.41Å; L30-V36 HydrophobicContact CD1-CG2 3.85Å; L30-F101 HydrophobicContact CD1-CB 3.89Å; L30-F101 HydrophobicContact CD1-CG 4.44Å; L30-F101 HydrophobicContact CD2-CB 3.47Å; L30-F101 VanDerWaalsContact CD2-CB 3.47Å; L30-F101 HydrophobicContact CG-CB 4Å; L30-L103 HydrophobicContact CD2-CB 4.2Å; L30-M112 HydrophobicContact CD1-SD 4.21Å |
| 31 | T | 89.7 | Confident | 88.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 165.9 | 175.5 | 84.1 | 0 | 0 | 0 | 0 | 113.3 | Q15 K16 Y33 G34 F35 I37 | Q15-T31 HydrophobicContact CB-CG2 4.47Å; Q15-T31 PolarHBondContact OE1-OG1 3.38Å; Q15-T31 VanDerWaalsContact OE1-OG1 3.08Å; K16-T31 CarbonylContact O-C 3.57Å; K16-T31 WeakPolarHBondContact O-CA 3.46Å; T31-Y33 PolarHBondContact O-N 3.42Å; T31-Y33 PolarHBondContact OG1-N 2.8Å; T31-G34 PolarHBondContact O-N 3.39Å; T31-F35 HydrophobicContact CG2-CB 4.07Å; T31-F35 PolarHBondContact N-O 2.87Å; T31-F35 PolarHBondContact OG1-N 2.79Å; T31-I37 HydrophobicContact CG2-CD1 4.14Å |
| 32 | D | 86.7 | Confident | 87.9 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.9 | 179.7 | 62.5 | -24.9 | 0 | 0 | 0 | 115.1 | Q15 K16 L18 F101 | Q15-D32 PolarHBondContact OE1-OD1 3.33Å; Q15-D32 VanDerWaalsContact OE1-OD1 3.14Å; K16-D32 HydrophobicContact CB-CB 4.24Å; K16-D32 PolarHBondContact N-OD1 3.49Å; K16-D32 PolarHBondContact O-N 2.85Å; L18-D32 HydrophobicContact CD1-CB 4.27Å; L18-D32 HydrophobicContact CD2-CB 3.88Å; L18-D32 HydrophobicContact CG-CB 4Å; D32-F101 WeakPolarHBondContact O-CE2 3.23Å |
| 33 | Y | 86.8 | Confident | 86.9 | Confident | 165 Ų | 165 | 48.6 Ų | 48.6 | 65% | 0.647 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.6 | 168.5 | -72.9 | -115.7 | 0 | 0 | 0 | 113.7 | T31 | T31-Y33 PolarHBondContact O-N 3.42Å; T31-Y33 PolarHBondContact OG1-N 2.8Å |
| 34 | G | 86.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | trans | 85.6 | 17.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T31 L54 F101 | T31-G34 PolarHBondContact O-N 3.39Å; G34-L54 VanDerWaalsContact O-CD1 3.25Å; G34-L54 WeakPolarHBondContact O-CD1 3.11Å; G34-F101 VanDerWaalsContact CA-CE2 3.47Å; G34-F101 VanDerWaalsContact CA-CZ 3.42Å | ||
| 35 | F | 89.3 | Confident | 85 | Confident | 50 Ų | 50 | 52 Ų | 52 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | trans | -74.2 | 135.2 | 168.2 | -65.4 | -80.1 | 0 | 0 | 0 | 109.4 | I11 P12 L30 T31 V51 | I11-F35 HydrophobicContact CG2-CD2 4.45Å; P12-F35 HydrophobicContact CG-CE2 4.17Å; P12-F35 HydrophobicContact CG-CZ 4.31Å; L30-F35 WeakPolarHBondContact CA-O 3.41Å; T31-F35 HydrophobicContact CG2-CB 4.07Å; T31-F35 PolarHBondContact N-O 2.87Å; T31-F35 PolarHBondContact OG1-N 2.79Å; F35-V51 HydrophobicContact CB-CG1 4.33Å; F35-V51 HydrophobicContact CD1-CG1 3.89Å | ||
| 36 | V | 91.6 | Very high | 84 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.6 | 171.2 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | Y28 F29 L30 V51 L52 W59 L103 M112 I125 | Y28-V36 HydrophobicContact CD1-CG1 4.05Å; F29-V36 CarbonylContact O-C 3.56Å; F29-V36 WeakPolarHBondContact O-CA 3.4Å; L30-V36 HydrophobicContact CD1-CG2 3.85Å; V36-V51 CarbonylContact O-C 3.57Å; V36-V51 WeakPolarHBondContact O-CA 3.31Å; V36-L52 HydrophobicContact CB-CB 3.97Å; V36-L52 HydrophobicContact CB-CD2 4.18Å; V36-L52 HydrophobicContact CG2-CD2 4.1Å; V36-L52 PolarHBondContact O-N 3.09Å; V36-W59 HydrophobicContact CB-CH2 4.1Å; V36-W59 HydrophobicContact CG1-CH2 3.81Å; V36-W59 VanDerWaalsContact O-CZ3 3.28Å; V36-W59 WeakPolarHBondContact O-CZ3 3.42Å; V36-L103 HydrophobicContact CG1-CD1 4.33Å; V36-M112 HydrophobicContact CG2-SD 3.83Å; V36-I125 HydrophobicContact CB-CD1 4.09Å; V36-I125 HydrophobicContact CG1-CD1 3.85Å; V36-I125 HydrophobicContact CG2-CD1 3.74Å |
| 37 | I | 91.7 | Very high | 83.4 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.6 | 178.7 | -57.9 | 152.3 | 0 | 0 | 0 | 107.7 | L8 I11 F17 Y28 F29 T31 V49 H50 V51 | L8-I37 HydrophobicContact CD1-CD1 3.67Å; L8-I37 HydrophobicContact CD1-CG1 4.3Å; L8-I37 HydrophobicContact CD1-CG2 4.49Å; I11-I37 HydrophobicContact CD1-CD1 3.41Å; I11-I37 VanDerWaalsContact CD1-CD1 3.41Å; I11-I37 HydrophobicContact CD1-CG1 3.31Å; F17-I37 HydrophobicContact CD1-CD1 4.48Å; F17-I37 HydrophobicContact CE1-CD1 3.56Å; F17-I37 HydrophobicContact CZ-CD1 4.27Å; Y28-I37 CarbonylContact C-O 3.48Å; Y28-I37 WeakPolarHBondContact CA-O 3.42Å; F29-I37 HydrophobicContact CB-CB 4.17Å; F29-I37 HydrophobicContact CB-CD1 4.16Å; F29-I37 HydrophobicContact CD2-CB 4.47Å; F29-I37 HydrophobicContact CD2-CG2 4.47Å; F29-I37 PolarHBondContact N-O 3.03Å; F29-I37 PolarHBondContact O-N 2.77Å; T31-I37 HydrophobicContact CG2-CD1 4.14Å; I37-V49 HydrophobicContact CG2-CG1 3.59Å; I37-H50 CarbonylContact C-O 3.46Å; I37-H50 WeakPolarHBondContact CA-O 3.28Å; I37-V51 HydrophobicContact CG1-CG2 4.5Å |
| 38 | R | 92 | Very high | 83.1 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.6 | 173.5 | -178.7 | -179.2 | 72.5 | -175.8 | 0.5 | 109.9 | A26 Y28 V49 H50 W59 D126 | A26-R38 HydrophobicContact CB-CG 3.69Å; Y28-R38 HydrophobicContact CD1-CB 3.95Å; Y28-R38 HydrophobicContact CD1-CG 4.1Å; Y28-R38 HydrophobicContact CE1-CB 3.74Å; Y28-R38 HydrophobicContact CE1-CG 3.52Å; Y28-R38 HydrophobicContact CE2-CG 4.46Å; Y28-R38 WeakPolarHBondContact OH-CD 3.46Å; R38-V49 WeakPolarHBondContact O-CA 3.31Å; R38-H50 HydrophobicContact CB-CB 4.45Å; R38-H50 PolarHBondContact N-O 2.83Å; R38-H50 PolarHBondContact NH2-ND1 2.81Å; R38-H50 PolarHBondContact O-N 3Å; R38-W59 HydrophobicContact CB-CE3 4.18Å; R38-W59 HydrophobicContact CB-CH2 3.76Å; R38-W59 HydrophobicContact CB-CZ3 3.46Å; R38-W59 VanDerWaalsContact CB-CZ3 3.46Å; R38-D126 WeakPolarHBondContact CD-OD2 3.12Å; R38-D126 IonicContact CZ-OD2 3.15Å; R38-D126 IonicContact NE-OD2 2.82Å; R38-D126 IonicContact NH1-OD1 3.81Å; R38-D126 PolarHBondContact NH1-OD1 2.91Å; R38-D126 IonicContact NH1-OD2 3.26Å; R38-D126 PolarHBondContact NH1-OD2 3.43Å |
| 39 | C | 89.6 | Confident | 83 | Confident | 28 Ų | 28 | 55.4 Ų | 55.4 | 19% | 0.189 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.5 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | A26 A27 F29 I47 | A26-C39 VanDerWaalsContact CA-O 3.31Å; A26-C39 WeakPolarHBondContact CA-O 3.38Å; A26-C39 WeakPolarHBondContact CB-O 3.21Å; A27-C39 PolarHBondContact N-O 2.91Å; A27-C39 PolarHBondContact O-N 2.89Å; F29-C39 HydrophobicContact CE2-CB 4.29Å; C39-I47 HydrophobicContact CB-CG2 4.21Å |
| 40 | S | 86.7 | Confident | 82.9 | Confident | 22 Ų | 22 | 54 Ų | 54 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | I47 T48 | S40-I47 WeakPolarHBondContact O-CA 3.41Å; S40-T48 PolarHBondContact N-O 2.93Å; S40-T48 PolarHBondContact O-N 3.14Å; S40-T48 PolarHBondContact O-OG1 3.38Å; S40-T48 PolarHBondContact OG-OG1 2.65Å |
| 41 | F | 77 | Confident | 82.9 | Confident | 145 Ų | 145 | 54.2 Ų | 54.2 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.3 | 176 | -63.6 | -87.6 | 0 | 0 | 0 | 109.8 | I47 | F41-I47 HydrophobicContact CD1-CD1 4.46Å; F41-I47 HydrophobicContact CD1-CG1 3.79Å; F41-I47 HydrophobicContact CE1-CD1 3.86Å; F41-I47 HydrophobicContact CE1-CG1 3.69Å; F41-I47 HydrophobicContact CZ-CD1 4.45Å |
| 42 | V | 73.6 | Confident | 83 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -32.9 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | V46 T48 | V42-V46 HydrophobicContact CB-CB 4.32Å; V42-V46 HydrophobicContact CB-CG1 4.17Å; V42-V46 PolarHBondContact N-O 3.13Å; V42-T48 HydrophobicContact CG2-CG2 3.45Å; V42-T48 VanDerWaalsContact CG2-CG2 3.45Å |
| 43 | S | 68.8 | Low | 82.8 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 175.4 | 172.9 | 67.9 | 0 | 0 | 0 | 0 | 109.4 | S45 V46 | S43-S45 PolarHBondContact O-N 3.11Å; S43-S45 PolarHBondContact OG-N 3.46Å; S43-V46 PolarHBondContact N-O 3.25Å; S43-V46 PolarHBondContact O-N 2.79Å; S43-V46 WeakPolarHBondContact OG-CB 3.44Å; S43-V46 WeakPolarHBondContact OG-CG2 3.2Å; S43-V46 PolarHBondContact OG-N 3Å |
| 44 | N | 67 | Low | 82.4 | Confident | 170 Ų | 170 | 48.2 Ų | 48.2 | 91% | 0.909 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -12.8 | 176.9 | -67.6 | -11.7 | 0 | 0 | 0 | 114.6 | ||
| 45 | S | 66.2 | Low | 81.9 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -3.1 | -177.3 | -51.1 | 0 | 0 | 0 | 0 | 114.1 | S43 | S43-S45 PolarHBondContact O-N 3.11Å; S43-S45 PolarHBondContact OG-N 3.46Å |
| 46 | V | 65.3 | Low | 81.5 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 112.9 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | V42 S43 | V42-V46 HydrophobicContact CB-CB 4.32Å; V42-V46 HydrophobicContact CB-CG1 4.17Å; V42-V46 PolarHBondContact N-O 3.13Å; S43-V46 PolarHBondContact N-O 3.25Å; S43-V46 PolarHBondContact O-N 2.79Å; S43-V46 WeakPolarHBondContact OG-CB 3.44Å; S43-V46 WeakPolarHBondContact OG-CG2 3.2Å; S43-V46 PolarHBondContact OG-N 3Å |
| 47 | I | 77.3 | Confident | 81 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.7 | 170.1 | -58.6 | 169.5 | 0 | 0 | 0 | 107.2 | C39 S40 F41 V49 | C39-I47 HydrophobicContact CB-CG2 4.21Å; S40-I47 WeakPolarHBondContact O-CA 3.41Å; F41-I47 HydrophobicContact CD1-CD1 4.46Å; F41-I47 HydrophobicContact CD1-CG1 3.79Å; F41-I47 HydrophobicContact CE1-CD1 3.86Å; F41-I47 HydrophobicContact CE1-CG1 3.69Å; F41-I47 HydrophobicContact CZ-CD1 4.45Å; I47-V49 HydrophobicContact CG2-CG2 4.25Å |
| 48 | T | 84.8 | Confident | 80.7 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 15% | 0.147 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.5 | 166.4 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | S40 V42 | S40-T48 PolarHBondContact N-O 2.93Å; S40-T48 PolarHBondContact O-N 3.14Å; S40-T48 PolarHBondContact O-OG1 3.38Å; S40-T48 PolarHBondContact OG-OG1 2.65Å; V42-T48 HydrophobicContact CG2-CG2 3.45Å; V42-T48 VanDerWaalsContact CG2-CG2 3.45Å |
| 49 | V | 89 | Confident | 80.5 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.03 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.8 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | V6 L8 I37 R38 I47 N62 | V6-V49 HydrophobicContact CG1-CG2 4.06Å; L8-V49 HydrophobicContact CD2-CG1 3.64Å; I37-V49 HydrophobicContact CG2-CG1 3.59Å; R38-V49 WeakPolarHBondContact O-CA 3.31Å; I47-V49 HydrophobicContact CG2-CG2 4.25Å; V49-N62 HydrophobicContact CB-CB 4.26Å; V49-N62 HydrophobicContact CG1-CB 4.26Å; V49-N62 PolarHBondContact O-N 2.87Å |
| 50 | H | 90.4 | Very high | 80.5 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.9 | 171.5 | -59.3 | 84.3 | 0 | 0 | 0 | 109.4 | I37 R38 W59 E60 | I37-H50 CarbonylContact C-O 3.46Å; I37-H50 WeakPolarHBondContact CA-O 3.28Å; R38-H50 HydrophobicContact CB-CB 4.45Å; R38-H50 PolarHBondContact N-O 2.83Å; R38-H50 PolarHBondContact NH2-ND1 2.81Å; R38-H50 PolarHBondContact O-N 3Å; H50-W59 HydrophobicContact CB-CB 4.48Å; H50-W59 HydrophobicContact CB-CE3 3.76Å; H50-W59 HydrophobicContact CB-CZ3 4.44Å; H50-E60 CarbonylContact C-O 3.46Å; H50-E60 WeakPolarHBondContact CA-O 3.47Å |
| 51 | V | 91.3 | Very high | 80.5 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.9 | 177.5 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | L10 I11 F35 V36 I37 E60 | L10-V51 HydrophobicContact CB-CB 4.22Å; L10-V51 HydrophobicContact CB-CG2 4.05Å; L10-V51 HydrophobicContact CD1-CB 4.18Å; L10-V51 HydrophobicContact CD1-CG2 4.24Å; I11-V51 HydrophobicContact CD1-CG1 4.19Å; I11-V51 HydrophobicContact CD1-CG2 3.96Å; I11-V51 HydrophobicContact CG1-CG1 3.89Å; I11-V51 HydrophobicContact CG1-CG2 4.05Å; F35-V51 HydrophobicContact CB-CG1 4.33Å; F35-V51 HydrophobicContact CD1-CG1 3.89Å; V36-V51 CarbonylContact O-C 3.57Å; V36-V51 WeakPolarHBondContact O-CA 3.31Å; I37-V51 HydrophobicContact CG1-CG2 4.5Å; V51-E60 PolarHBondContact N-O 2.8Å; V51-E60 PolarHBondContact O-N 2.87Å |
| 52 | L | 90.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123 | 177.3 | 179.6 | 63.3 | 0 | 0 | 0 | 110.4 | V36 L54 W59 I125 V133 | V36-L52 HydrophobicContact CB-CB 3.97Å; V36-L52 HydrophobicContact CB-CD2 4.18Å; V36-L52 HydrophobicContact CG2-CD2 4.1Å; V36-L52 PolarHBondContact O-N 3.09Å; L52-L54 HydrophobicContact CD2-CD2 3.57Å; L52-L54 HydrophobicContact CD2-CG 4.38Å; L52-L54 HydrophobicContact CG-CD2 4.07Å; L52-L54 HydrophobicContact CG-CG 4.5Å; L52-W59 HydrophobicContact CB-CD2 4.12Å; L52-W59 HydrophobicContact CB-CE3 3.9Å; L52-W59 HydrophobicContact CB-CH2 3.9Å; L52-W59 HydrophobicContact CB-CZ2 4.09Å; L52-W59 HydrophobicContact CB-CZ3 3.8Å; L52-W59 HydrophobicContact CD1-CD2 4.17Å; L52-W59 HydrophobicContact CD1-CG 4.33Å; L52-W59 HydrophobicContact CD1-CZ2 4.42Å; L52-W59 HydrophobicContact CD2-CZ2 4.37Å; L52-I125 HydrophobicContact CD2-CB 3.72Å; L52-I125 HydrophobicContact CD2-CD1 3.88Å; L52-I125 HydrophobicContact CD2-CG1 4.41Å; L52-I125 HydrophobicContact CD2-CG2 3.8Å; L52-V133 HydrophobicContact CD1-CG2 3.78Å; L52-V133 HydrophobicContact CD2-CG2 4.34Å |
| 53 | C | 83.6 | Confident | 80.6 | Confident | 26 Ų | 26 | 67 Ų | 67 | 18% | 0.176 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 102.6 | 166.9 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | E55 T56 G57 K58 | C53-E55 VanDerWaalsContact C-N 3.29Å; C53-E55 PolarHBondContact O-N 3.38Å; C53-T56 WeakPolarHBondContact CB-OG1 3.19Å; C53-T56 PolarHBondContact O-N 3.42Å; C53-T56 PolarHBondContact O-OG1 3.07Å; C53-T56 PolarHBondContact SG-OG1 2.76Å; C53-G57 WeakPolarHBondContact O-CA 3.39Å; C53-G57 PolarHBondContact O-N 2.89Å; C53-K58 PolarHBondContact N-O 2.78Å; C53-K58 PolarHBondContact O-N 2.92Å |
| 54 | L | 79.2 | Confident | 80.3 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 29% | 0.293 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.7 | -177.2 | -71.9 | 174.7 | 0 | 0 | 0 | 113.3 | G34 L52 T56 G57 M112 | G34-L54 VanDerWaalsContact O-CD1 3.25Å; G34-L54 WeakPolarHBondContact O-CD1 3.11Å; L52-L54 HydrophobicContact CD2-CD2 3.57Å; L52-L54 HydrophobicContact CD2-CG 4.38Å; L52-L54 HydrophobicContact CG-CD2 4.07Å; L52-L54 HydrophobicContact CG-CG 4.5Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.42Å; L54-G57 PolarHBondContact O-N 2.81Å; L54-M112 HydrophobicContact CD1-CE 3.62Å; L54-M112 HydrophobicContact CD1-SD 4.14Å; L54-M112 HydrophobicContact CD2-CE 3.4Å; L54-M112 HydrophobicContact CD2-SD 4.25Å; L54-M112 HydrophobicContact CG-CE 4.15Å |
| 55 | E | 75.7 | Confident | 79.8 | Confident | 191 Ų | 191 | 62.6 Ų | 62.6 | 89% | 0.893 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -40.2 | 178.1 | -64.2 | -177.2 | 173.2 | 0 | 0 | 111.9 | C53 | C53-E55 VanDerWaalsContact C-N 3.29Å; C53-E55 PolarHBondContact O-N 3.38Å |
| 56 | T | 81 | Confident | 79.1 | Confident | 77 Ų | 77 | 60.6 Ų | 60.6 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -16.1 | 179.2 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | C53 L54 K58 | C53-T56 WeakPolarHBondContact CB-OG1 3.19Å; C53-T56 PolarHBondContact O-N 3.42Å; C53-T56 PolarHBondContact O-OG1 3.07Å; C53-T56 PolarHBondContact SG-OG1 2.76Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.42Å; T56-K58 PolarHBondContact O-N 3.33Å; T56-K58 PolarHBondContact OG1-N 2.96Å |
| 57 | G | 81.3 | Confident | 78.2 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 20 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C53 L54 V133 | C53-G57 WeakPolarHBondContact O-CA 3.39Å; C53-G57 PolarHBondContact O-N 2.89Å; L54-G57 PolarHBondContact O-N 2.81Å; G57-V133 PolarHBondContact O-N 3.4Å |
| 58 | K | 84.8 | Confident | 76.7 | Confident | 140 Ų | 140 | 65.1 Ų | 65.1 | 61% | 0.609 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 146.7 | -174.7 | -67.2 | -179 | -178.5 | 178.3 | 0 | 112.1 | C53 T56 | C53-K58 PolarHBondContact N-O 2.78Å; C53-K58 PolarHBondContact O-N 2.92Å; T56-K58 PolarHBondContact O-N 3.33Å; T56-K58 PolarHBondContact OG1-N 2.96Å |
| 59 | W | 88.5 | Confident | 74.7 | Confident | 39 Ų | 39 | 75.4 Ų | 75.4 | 15% | 0.148 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.6 | 169.5 | -70.5 | 93.2 | 0 | 0 | 0 | 110.5 | Y28 V36 R38 H50 L52 I125 D126 | Y28-W59 HydrophobicContact CD1-CH2 4.16Å; Y28-W59 HydrophobicContact CE1-CH2 4.04Å; Y28-W59 HydrophobicContact CE1-CZ2 4.3Å; V36-W59 HydrophobicContact CB-CH2 4.1Å; V36-W59 HydrophobicContact CG1-CH2 3.81Å; V36-W59 VanDerWaalsContact O-CZ3 3.28Å; V36-W59 WeakPolarHBondContact O-CZ3 3.42Å; R38-W59 HydrophobicContact CB-CE3 4.18Å; R38-W59 HydrophobicContact CB-CH2 3.76Å; R38-W59 HydrophobicContact CB-CZ3 3.46Å; R38-W59 VanDerWaalsContact CB-CZ3 3.46Å; H50-W59 HydrophobicContact CB-CB 4.48Å; H50-W59 HydrophobicContact CB-CE3 3.76Å; H50-W59 HydrophobicContact CB-CZ3 4.44Å; L52-W59 HydrophobicContact CB-CD2 4.12Å; L52-W59 HydrophobicContact CB-CE3 3.9Å; L52-W59 HydrophobicContact CB-CH2 3.9Å; L52-W59 HydrophobicContact CB-CZ2 4.09Å; L52-W59 HydrophobicContact CB-CZ3 3.8Å; L52-W59 HydrophobicContact CD1-CD2 4.17Å; L52-W59 HydrophobicContact CD1-CG 4.33Å; L52-W59 HydrophobicContact CD1-CZ2 4.42Å; L52-W59 HydrophobicContact CD2-CZ2 4.37Å; W59-I125 HydrophobicContact CZ2-CD1 4.5Å; W59-I125 PolarHBondContact NE1-O 2.91Å; W59-D126 HydrophobicContact CZ2-CB 4.11Å |
| 60 | E | 88.5 | Confident | 72.7 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 136.9 | 175.6 | -65.9 | -178.1 | -173.2 | 0 | 0 | 110 | L10 H50 V51 | L10-E60 HydrophobicContact CD1-CB 3.7Å; H50-E60 CarbonylContact C-O 3.46Å; H50-E60 WeakPolarHBondContact CA-O 3.47Å; V51-E60 PolarHBondContact N-O 2.8Å; V51-E60 PolarHBondContact O-N 2.87Å |
| 61 | K | 86.2 | Confident | 70.2 | Confident | 117 Ų | 117 | 85.7 Ų | 85.7 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122.9 | -179.7 | -174.8 | -178.3 | 173.6 | -173.7 | 0 | 110.1 | N63 | K61-N63 WeakPolarHBondContact CD-OD1 3.04Å; K61-N63 WeakPolarHBondContact CE-OD1 3.31Å; K61-N63 WeakPolarHBondContact CG-OD1 3.44Å; K61-N63 PolarHBondContact O-N 2.81Å |
| 62 | N | 82 | Confident | 67.9 | Low | 3 Ų | 3 | 89.5 Ų | 89.5 | 2% | 0.016 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 109.4 | 172.7 | -172.2 | 57.9 | 0 | 0 | 0 | 109.4 | E7 S9 L10 V49 | E7-N62 PolarHBondContact O-ND2 2.84Å; S9-N62 PolarHBondContact N-OD1 2.86Å; S9-N62 VanDerWaalsContact N-OD1 3.09Å; S9-N62 PolarHBondContact OG-OD1 3.41Å; L10-N62 HydrophobicContact CD1-CB 3.99Å; L10-N62 HydrophobicContact CG-CB 4.33Å; L10-N62 PolarHBondContact N-OD1 3.08Å; V49-N62 HydrophobicContact CB-CB 4.26Å; V49-N62 HydrophobicContact CG1-CB 4.26Å; V49-N62 PolarHBondContact O-N 2.87Å |
| 63 | N | 71.5 | Confident | 65.8 | Low | 121 Ų | 121 | 97.3 Ų | 97.3 | 65% | 0.647 | 50% | 0.501 | S | S | * | . | trans | -90.4 | -5 | -174.1 | -68.3 | -38.5 | 0 | 0 | 0 | 114 | K61 L65 | K61-N63 WeakPolarHBondContact CD-OD1 3.04Å; K61-N63 WeakPolarHBondContact CE-OD1 3.31Å; K61-N63 WeakPolarHBondContact CG-OD1 3.44Å; K61-N63 PolarHBondContact O-N 2.81Å; N63-L65 PolarHBondContact O-N 3.11Å; N63-L65 VanDerWaalsContact O-N 3.15Å | ||
| 64 | S | 61.4 | Low | 64 | Low | 42 Ų | 42 | 103.5 Ų | 103.5 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | trans | -84.6 | 86.8 | -178.1 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | V6 E7 S9 | V6-S64 WeakPolarHBondContact CG1-O 3.33Å; E7-S64 PolarHBondContact N-O 3.35Å; E7-S64 WeakPolarHBondContact O-CB 3.45Å; E7-S64 VanDerWaalsContact O-O 3.05Å; S9-S64 WeakPolarHBondContact CB-OG 3.39Å; S9-S64 WeakPolarHBondContact OG-CB 3.28Å; S9-S64 PolarHBondContact OG-OG 3.23Å | ||
| 65 | L | 57.9 | Low | 62.2 | Low | 90 Ų | 90 | 106.4 Ų | 106.4 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | trans | -104.3 | 106 | 172.6 | -117.5 | 139.6 | 0 | 0 | 0 | 108.3 | V6 N63 | V6-L65 HydrophobicContact CG1-CG 4.36Å; V6-L65 HydrophobicContact CG2-CD2 3.97Å; V6-L65 HydrophobicContact CG2-CG 4.04Å; N63-L65 PolarHBondContact O-N 3.11Å; N63-L65 VanDerWaalsContact O-N 3.15Å | ||
| 66 | V | 50.5 | Low | 60.7 | Low | 66 Ų | 66 | 102.6 Ų | 102.6 | 40% | 0.4 | 54% | 0.544 | S | S | . | . | trans | -102.8 | 106.8 | 174.8 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | S5 E68 | S5-V66 CarbonylContact C-O 3.58Å; S5-V66 PolarHBondContact OG-O 3.38Å; V66-E68 HydrophobicContact CG1-CG 4.09Å; V66-E68 PolarHBondContact O-N 3.08Å; V66-E68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | T | 47.2 | Very low | 58.9 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | trans | -80.6 | 92.8 | 172.1 | -50.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 68 | E | 46.1 | Very low | 57.1 | Low | 133 Ų | 133 | 109.5 Ų | 109.5 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | trans | -86.1 | 133 | 163.4 | -75.5 | -161.9 | 146.5 | 0 | 0 | 110.7 | D3 V66 S70 | D3-E68 VanDerWaalsContact O-O 3.06Å; V66-E68 HydrophobicContact CG1-CG 4.09Å; V66-E68 PolarHBondContact O-N 3.08Å; V66-E68 VanDerWaalsContact O-N 3.15Å; E68-S70 PolarHBondContact O-N 3.01Å; E68-S70 VanDerWaalsContact O-N 3.1Å | ||
| 69 | R | 42.1 | Very low | 54.8 | Low | 240 Ų | 240 | 109.8 Ų | 109.8 | 91% | 0.906 | 59% | 0.591 | S | S | * | * | trans | -75.2 | 95.9 | 164.9 | -77.9 | -177 | 177.4 | -178.8 | -0.4 | 108.1 | Q71 | R69-Q71 PolarHBondContact O-N 3.32Š| ||
| 70 | S | 46 | Very low | 52.3 | Low | 73 Ų | 73 | 116.4 Ų | 116.4 | 51% | 0.51 | 62% | 0.621 | S | S | . | * | trans | -59.2 | 125.7 | 159.4 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | D3 E68 A72 | D3-S70 WeakPolarHBondContact OD2-CB 3.4Å; D3-S70 PolarHBondContact OD2-OG 3.21Å; E68-S70 PolarHBondContact O-N 3.01Å; E68-S70 VanDerWaalsContact O-N 3.1Å; S70-A72 PolarHBondContact O-N 2.82Å | ||
| 71 | Q | 38.8 | Very low | 49.6 | Very low | 181 Ų | 181 | 117.5 Ų | 117.5 | 85% | 0.846 | 64% | 0.636 | S | S | * | * | trans | -65.8 | 116.4 | 165.2 | -80.3 | -178.8 | -16.4 | 0 | 0 | 106.7 | R69 L73 | R69-Q71 PolarHBondContact O-N 3.32Å; Q71-L73 PolarHBondContact O-N 2.75Å | ||
| 72 | A | 43.3 | Very low | 47 | Very low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | trans | -51.8 | 113.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S70 L74 | S70-A72 PolarHBondContact O-N 2.82Å; A72-L74 PolarHBondContact O-N 3.09Å | ||
| 73 | L | 46.9 | Very low | 44.5 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | trans | -56.6 | 128.5 | 163.1 | -77.2 | 160.6 | 0 | 0 | 0 | 106.6 | Q71 | Q71-L73 PolarHBondContact O-N 2.75Š| ||
| 74 | L | 44.3 | Very low | 42.5 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | trans | -50.8 | 128.7 | 175.2 | -80.8 | 158.5 | 0 | 0 | 0 | 108.1 | A72 T76 | A72-L74 PolarHBondContact O-N 3.09Å; L74-T76 PolarHBondContact O-N 3.25Å | ||
| 75 | P | 41.3 | Very low | 41 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -59.7 | 113.3 | 179.3 | 22.8 | -29.7 | 0 | 0 | 0 | 107.6 | S77 | P75-S77 PolarHBondContact O-N 2.92Š| ||
| 76 | T | 44.5 | Very low | 39.5 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | trans | -58.4 | 125 | 159.4 | 47.2 | 0 | 0 | 0 | 0 | 105.4 | L74 D78 | L74-T76 PolarHBondContact O-N 3.25Å; T76-D78 PolarHBondContact O-N 2.84Å | ||
| 77 | S | 43.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -62 | 15.7 | -165.7 | 52.3 | 0 | 0 | 0 | 0 | 116.4 | P75 | P75-S77 PolarHBondContact O-N 2.92Š|
| 78 | D | 43.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | trans | -128.4 | 45 | -165.6 | -59.3 | -22.2 | 0 | 0 | 0 | 112 | T76 | T76-D78 PolarHBondContact O-N 2.84Š| ||
| 79 | L | 37.4 | Very low | 36.9 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -153.1 | 101.1 | 168.1 | -93.4 | 122.3 | 0 | 0 | 0 | 114.7 | ||
| 80 | F | 36 | Very low | 36.6 | Very low | 177 Ų | 177 | 119.9 Ų | 119.9 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | 17.4 | 105.9 | 152.4 | -55.2 | -83.5 | 0 | 0 | 0 | 120.4 | H82 | F80-H82 PolarHBondContact O-N 3.39Š| ||
| 81 | P | 30.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -97 | 47.9 | 174.1 | 39.1 | -33.2 | 0 | 0 | 0 | 112.9 | ||
| 82 | H | 32.9 | Very low | 35.6 | Very low | 169 Ų | 169 | 118 Ų | 118 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | -149.2 | 75.1 | 174.2 | -59.2 | -63.6 | 0 | 0 | 0 | 112.1 | F80 | F80-H82 PolarHBondContact O-N 3.39Š| ||
| 83 | L | 29.1 | Very low | 35.3 | Very low | 121 Ų | 121 | 116 Ų | 116 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | trans | -114.8 | 80.3 | 171.3 | -68.5 | 170.3 | 0 | 0 | 0 | 109.8 | F86 | L83-F86 HydrophobicContact CB-CD2 3.95Å; L83-F86 HydrophobicContact CB-CE2 4.49Å; L83-F86 HydrophobicContact CD1-CD2 3.53Å; L83-F86 HydrophobicContact CD1-CE2 3.37Å; L83-F86 HydrophobicContact CD2-CD2 3.28Å; L83-F86 HydrophobicContact CD2-CE2 3.12Å; L83-F86 HydrophobicContact CD2-CZ 4.28Å; L83-F86 HydrophobicContact CG-CD2 3.7Å; L83-F86 HydrophobicContact CG-CE2 3.73Å | ||
| 84 | G | 30.3 | Very low | 34.6 | Very low | 67 Ų | 67 | 113.3 Ų | 113.3 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -72.1 | 128.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | F86 | G84-F86 PolarHBondContact O-N 2.89Š|
| 85 | S | 29.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 83% | 0.825 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 32.4 | 79.1 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | V87 | S85-V87 PolarHBondContact O-N 3.12Š|
| 86 | F | 27.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 113.8 Ų | 113.8 | 58% | 0.575 | 65% | 0.651 | S | S | * | * | trans | -64.7 | 108.5 | 168.6 | -133.1 | -77 | 0 | 0 | 0 | 108 | L83 G84 I88 | L83-F86 HydrophobicContact CB-CD2 3.95Å; L83-F86 HydrophobicContact CB-CE2 4.49Å; L83-F86 HydrophobicContact CD1-CD2 3.53Å; L83-F86 HydrophobicContact CD1-CE2 3.37Å; L83-F86 HydrophobicContact CD2-CD2 3.28Å; L83-F86 HydrophobicContact CD2-CE2 3.12Å; L83-F86 HydrophobicContact CD2-CZ 4.28Å; L83-F86 HydrophobicContact CG-CD2 3.7Å; L83-F86 HydrophobicContact CG-CE2 3.73Å; G84-F86 PolarHBondContact O-N 2.89Å; F86-I88 HydrophobicContact CD1-CG1 3.99Å; F86-I88 PolarHBondContact O-N 2.95Å | ||
| 87 | V | 28.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 112 Ų | 112 | 66% | 0.661 | 64% | 0.64 | S | S | * | * | trans | -69.6 | 110 | 148.6 | 176 | 0 | 0 | 0 | 0 | 103.4 | S85 P89 | S85-V87 PolarHBondContact O-N 3.12Å; V87-P89 WeakPolarHBondContact O-CD 3.4Å | ||
| 88 | I | 28.3 | Very low | 35.5 | Very low | 100 Ų | 100 | 112.6 Ų | 112.6 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | trans | -75 | 103.3 | 165.3 | -60.1 | 173 | 0 | 0 | 0 | 103.8 | F86 V90 | F86-I88 HydrophobicContact CD1-CG1 3.99Å; F86-I88 PolarHBondContact O-N 2.95Å; I88-V90 VanDerWaalsContact C-N 3.33Å; I88-V90 HydrophobicContact CG2-CG2 4.47Å; I88-V90 PolarHBondContact O-N 3.33Å | ||
| 89 | P | 31.4 | Very low | 36.5 | Very low | 77 Ų | 77 | 107.8 Ų | 107.8 | 50% | 0.5 | 61% | 0.609 | S | S | . | * | trans | -59.3 | 112.3 | 158.1 | 27.7 | -30.8 | 0 | 0 | 0 | 104.3 | V87 D91 | V87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-D91 PolarHBondContact O-N 3.36Å | ||
| 90 | V | 34.8 | Very low | 38.7 | Very low | 67 Ų | 67 | 106.6 Ų | 106.6 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | trans | -68.3 | 84.2 | 158.6 | -178.5 | 0 | 0 | 0 | 0 | 104 | I88 S92 | I88-V90 VanDerWaalsContact C-N 3.33Å; I88-V90 HydrophobicContact CG2-CG2 4.47Å; I88-V90 PolarHBondContact O-N 3.33Å; V90-S92 PolarHBondContact O-N 3.34Å | ||
| 91 | D | 31.9 | Very low | 41.3 | Very low | 124 Ų | 124 | 99 Ų | 99 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | trans | -50.8 | 127.9 | 167.4 | -75.7 | -33.4 | 0 | 0 | 0 | 107.2 | P89 V93 | P89-D91 PolarHBondContact O-N 3.36Å; D91-V93 PolarHBondContact O-N 2.84Å | ||
| 92 | S | 32.5 | Very low | 44.2 | Very low | 91 Ų | 91 | 94.7 Ų | 94.7 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | trans | 45.5 | 74.3 | 153.1 | 64.4 | 0 | 0 | 0 | 0 | 115.3 | V90 D94 | V90-S92 PolarHBondContact O-N 3.34Å; S92-D94 PolarHBondContact O-N 3.4Å; S92-D94 VanDerWaalsContact O-N 3.13Å | ||
| 93 | V | 36.1 | Very low | 47.1 | Very low | 43 Ų | 43 | 87.3 Ų | 87.3 | 26% | 0.261 | 50% | 0.501 | S | S | . | . | -62.8 | 102.9 | 127.1 | 175.2 | 0 | 0 | 0 | 0 | 104.1 | D91 S95 T97 T99 | D91-V93 PolarHBondContact O-N 2.84Å; V93-S95 PolarHBondContact O-N 2.72Å; V93-S95 VanDerWaalsContact O-N 3.16Å; V93-T97 WeakPolarHBondContact CG1-OG1 3.27Å; V93-T99 HydrophobicContact CB-CG2 4.44Å; V93-T99 HydrophobicContact CG1-CG2 3.35Å; V93-T99 HydrophobicContact CG2-CG2 4.2Å | |||
| 94 | D | 33.2 | Very low | 50.1 | Low | 109 Ų | 109 | 81.6 Ų | 81.6 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | trans | -37.7 | 128.2 | 166.6 | -87.9 | -37 | 0 | 0 | 0 | 107.1 | S92 Q96 T97 | S92-D94 PolarHBondContact O-N 3.4Å; S92-D94 VanDerWaalsContact O-N 3.13Å; D94-Q96 PolarHBondContact O-N 3.29Å; D94-T97 HydrophobicContact CB-CG2 4.21Å; D94-T97 PolarHBondContact O-N 3.24Å; D94-T97 PolarHBondContact O-OG1 3.49Å | ||
| 95 | S | 42.6 | Very low | 53.1 | Low | 98 Ų | 98 | 78.7 Ų | 78.7 | 69% | 0.685 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 14.5 | 176.3 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | V93 | V93-S95 PolarHBondContact O-N 2.72Å; V93-S95 VanDerWaalsContact O-N 3.16Å |
| 96 | Q | 41.4 | Very low | 56.1 | Low | 184 Ų | 184 | 73.4 Ų | 73.4 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -3.2 | 176.6 | -67 | -164 | -14.7 | 0 | 0 | 113.9 | D94 | D94-Q96 PolarHBondContact O-N 3.29Š|
| 97 | T | 47.8 | Very low | 59 | Low | 73 Ų | 73 | 70.1 Ų | 70.1 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -88.5 | 123.4 | 173.8 | 51 | 0 | 0 | 0 | 0 | 109.5 | V93 D94 T99 | V93-T97 WeakPolarHBondContact CG1-OG1 3.27Å; D94-T97 HydrophobicContact CB-CG2 4.21Å; D94-T97 PolarHBondContact O-N 3.24Å; D94-T97 PolarHBondContact O-OG1 3.49Å; T97-T99 PolarHBondContact O-N 2.96Å; T97-T99 PolarHBondContact O-OG1 3.3Å |
| 98 | D | 59.7 | Low | 61.8 | Low | 126 Ų | 126 | 69.9 Ų | 69.9 | 67% | 0.674 | 38% | 0.384 | S | S | * | . | trans | -65.7 | 67.7 | 178.5 | -171.6 | 32.7 | 0 | 0 | 0 | 110.4 | K100 | D98-K100 PolarHBondContact O-N 3.36Å; D98-K100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | T | 65.3 | Low | 64.8 | Low | 23 Ų | 23 | 66.2 Ų | 66.2 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | trans | -70.5 | 108.9 | 179.9 | 38.7 | 0 | 0 | 0 | 0 | 108.5 | V93 T97 F101 Q115 | V93-T99 HydrophobicContact CB-CG2 4.44Å; V93-T99 HydrophobicContact CG1-CG2 3.35Å; V93-T99 HydrophobicContact CG2-CG2 4.2Å; T97-T99 PolarHBondContact O-N 2.96Å; T97-T99 PolarHBondContact O-OG1 3.3Å; T99-F101 PolarHBondContact O-N 2.78Å; T99-Q115 VanDerWaalsContact O-CG 3.28Å; T99-Q115 WeakPolarHBondContact O-CG 3.31Å | ||
| 100 | K | 83.7 | Confident | 67.7 | Low | 122 Ų | 122 | 62.6 Ų | 62.6 | 53% | 0.53 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -63.9 | -22.7 | 178.9 | -66.8 | -176.7 | 178.4 | 179.7 | 0 | 112.9 | D98 Q115 | D98-K100 PolarHBondContact O-N 3.36Å; D98-K100 VanDerWaalsContact O-N 3.1Å; K100-Q115 PolarHBondContact O-N 3.44Å |
| 101 | F | 90.2 | Very high | 70.5 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142 | -175.7 | -52.5 | -83.2 | 0 | 0 | 0 | 111.6 | L18 L30 D32 G34 T99 M112 V113 K114 | L18-F101 HydrophobicContact CD1-CB 4.37Å; L18-F101 HydrophobicContact CD1-CD2 4.28Å; L30-F101 HydrophobicContact CD1-CB 3.89Å; L30-F101 HydrophobicContact CD1-CG 4.44Å; L30-F101 HydrophobicContact CD2-CB 3.47Å; L30-F101 VanDerWaalsContact CD2-CB 3.47Å; L30-F101 HydrophobicContact CG-CB 4Å; D32-F101 WeakPolarHBondContact O-CE2 3.23Å; G34-F101 VanDerWaalsContact CA-CE2 3.47Å; G34-F101 VanDerWaalsContact CA-CZ 3.42Å; T99-F101 PolarHBondContact O-N 2.78Å; F101-M112 HydrophobicContact CD1-SD 4.31Å; F101-V113 CarbonylContact C-O 3.59Å; F101-V113 VanDerWaalsContact CA-O 3.25Å; F101-V113 WeakPolarHBondContact CA-O 3.48Å; F101-K114 HydrophobicContact CD1-CB 4.12Å; F101-K114 HydrophobicContact CD1-CG 4.06Å; F101-K114 HydrophobicContact CE1-CB 4.15Å; F101-K114 HydrophobicContact CE1-CD 4.11Å; F101-K114 HydrophobicContact CE1-CG 3.63Å |
| 102 | L | 92.1 | Very high | 73.4 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.3 | 171.9 | -55.1 | 167.3 | 0 | 0 | 0 | 108.9 | M112 V113 I146 A149 | L102-M112 CarbonylContact O-C 3.56Å; L102-M112 VanDerWaalsContact O-CA 3.26Å; L102-M112 WeakPolarHBondContact O-CA 3.35Å; L102-M112 WeakPolarHBondContact O-CG 3.48Å; L102-V113 HydrophobicContact CB-CB 4.13Å; L102-V113 HydrophobicContact CD1-CB 4.47Å; L102-V113 PolarHBondContact N-O 3Å; L102-V113 PolarHBondContact O-N 2.89Å; L102-I146 HydrophobicContact CD1-CB 4.36Å; L102-I146 HydrophobicContact CD1-CG2 3.68Å; L102-A149 HydrophobicContact CB-CB 4.06Å; L102-A149 HydrophobicContact CD1-CB 4.45Å |
| 103 | L | 92.5 | Very high | 76.2 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.5 | 178.9 | -169.5 | 73.5 | 0 | 0 | 0 | 109.1 | D21 L30 V36 V110 I125 | D21-L103 HydrophobicContact CB-CD2 3.84Å; D21-L103 HydrophobicContact CB-CG 4.43Å; L30-L103 HydrophobicContact CD2-CB 4.2Å; V36-L103 HydrophobicContact CG1-CD1 4.33Å; L103-V110 HydrophobicContact CD1-CG1 3.63Å; L103-V110 HydrophobicContact CG-CG1 4.4Å; L103-I125 HydrophobicContact CD1-CD1 4.19Å |
| 104 | A | 92.9 | Very high | 78.8 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 113.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y111 A149 A151 V156 | A104-Y111 PolarHBondContact N-O 3.29Å; A104-Y111 PolarHBondContact O-N 3.14Å; A104-A149 HydrophobicContact CB-CB 4Å; A104-A151 HydrophobicContact CB-CB 4.15Å; A104-V156 HydrophobicContact CB-CG1 4.38Å |
| 105 | C | 93 | Very high | 81.5 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.6 | 178 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | D21 S22 T23 V110 A151 | D21-C105 HydrophobicContact CB-CB 4.13Å; D21-C105 VanDerWaalsContact OD2-CB 3.27Å; D21-C105 WeakPolarHBondContact OD2-CB 3.2Å; D21-C105 PolarHBondContact OD2-N 2.95Å; S22-C105 WeakPolarHBondContact O-CB 3.48Å; T23-C105 HydrophobicContact CG2-CB 4.08Å; C105-V110 HydrophobicContact CB-CG2 4.44Å; C105-A151 VanDerWaalsContact C-CB 3.44Å; C105-A151 WeakPolarHBondContact O-CB 3.2Å |
| 106 | T | 92.3 | Very high | 83.4 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -76.8 | -175.7 | 160.4 | 76.9 | 0 | 0 | 0 | 0 | 109.4 | Q108 T109 Y111 A151 G152 N153 V156 | T106-Q108 PolarHBondContact O-N 3.08Å; T106-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 PolarHBondContact OG1-N 3.27Å; T106-T109 WeakPolarHBondContact CG2-OG1 3.34Å; T106-T109 PolarHBondContact N-O 2.8Å; T106-T109 PolarHBondContact OG1-N 3.44Å; T106-T109 PolarHBondContact OG1-O 3.3Å; T106-T109 PolarHBondContact OG1-OG1 2.99Å; T106-Y111 HydrophobicContact CG2-CD2 4.47Å; T106-Y111 HydrophobicContact CG2-CE2 3.95Å; T106-A151 HydrophobicContact CG2-CB 3.99Å; T106-G152 VanDerWaalsContact CA-O 3.29Å; T106-G152 WeakPolarHBondContact CA-O 3.35Å; T106-G152 WeakPolarHBondContact CB-O 2.73Å; T106-N153 WeakPolarHBondContact CB-O 3.26Å; T106-V156 HydrophobicContact CG2-CG2 4.02Å | ||
| 107 | D | 88.8 | Confident | 85.3 | Confident | 62 Ų | 62 | 44.4 Ų | 44.4 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -52.9 | -37.2 | 173.7 | -73.9 | -9.3 | 0 | 0 | 0 | 111.2 | T23 W24 N153 | T23-D107 WeakPolarHBondContact CA-O 3.38Å; T23-D107 WeakPolarHBondContact CB-O 3.27Å; W24-D107 PolarHBondContact N-O 3.44Å; D107-N153 VanDerWaalsContact CB-O 3.28Å; D107-N153 WeakPolarHBondContact CB-O 3.22Å; D107-N153 PolarHBondContact N-O 3.4Å; D107-N153 WeakPolarHBondContact OD1-CA 3.43Å; D107-N153 VanDerWaalsContact OD2-CB 3.31Å; D107-N153 WeakPolarHBondContact OD2-CB 3.32Å; D107-N153 VanDerWaalsContact OD2-CG 3.25Å; D107-N153 PolarHBondContact OD2-ND2 3.44Å |
| 108 | Q | 87 | Confident | 86.8 | Confident | 105 Ų | 105 | 48.2 Ų | 48.2 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -124.9 | -22.2 | -169.1 | -48.8 | -169.2 | 7.9 | 0 | 0 | 114.5 | T106 P128 | T106-Q108 PolarHBondContact O-N 3.08Å; T106-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 PolarHBondContact OG1-N 3.27Å; Q108-P128 HydrophobicContact CB-CG 3.78Å; Q108-P128 WeakPolarHBondContact O-CD 3.31Å |
| 109 | T | 91.3 | Very high | 88 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | trans | -121.1 | 140.7 | -170 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | T106 Y111 D126 | T106-T109 WeakPolarHBondContact CG2-OG1 3.34Å; T106-T109 PolarHBondContact N-O 2.8Å; T106-T109 PolarHBondContact OG1-N 3.44Å; T106-T109 PolarHBondContact OG1-O 3.3Å; T106-T109 PolarHBondContact OG1-OG1 2.99Å; T109-Y111 WeakPolarHBondContact OG1-CE2 3.48Å; T109-D126 CarbonylContact C-O 3.51Å; T109-D126 WeakPolarHBondContact CA-O 3.43Å | ||
| 110 | V | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.3 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | T23 Y28 L103 C105 I125 D126 | T23-V110 HydrophobicContact CG2-CG2 3.53Å; Y28-V110 HydrophobicContact CD1-CG1 4.23Å; Y28-V110 HydrophobicContact CD1-CG2 4.11Å; Y28-V110 HydrophobicContact CD2-CG2 4.03Å; Y28-V110 HydrophobicContact CE1-CB 4.35Å; Y28-V110 HydrophobicContact CE1-CG1 4.42Å; Y28-V110 HydrophobicContact CE1-CG2 3.65Å; Y28-V110 HydrophobicContact CE2-CG2 3.61Å; Y28-V110 HydrophobicContact CG-CG1 4.49Å; Y28-V110 HydrophobicContact CG-CG2 4.28Å; L103-V110 HydrophobicContact CD1-CG1 3.63Å; L103-V110 HydrophobicContact CG-CG1 4.4Å; C105-V110 HydrophobicContact CB-CG2 4.44Å; V110-I125 HydrophobicContact CB-CD1 4.42Å; V110-I125 HydrophobicContact CB-CG1 3.92Å; V110-I125 HydrophobicContact CG1-CD1 3.67Å; V110-I125 HydrophobicContact CG1-CG1 3.65Å; V110-I125 WeakPolarHBondContact O-CG1 2.92Å; V110-I125 PolarHBondContact O-N 2.95Å; V110-D126 HydrophobicContact CB-CB 3.94Å; V110-D126 HydrophobicContact CG2-CB 4.05Å; V110-D126 PolarHBondContact N-O 2.86Å; V110-D126 PolarHBondContact O-N 2.85Å |
| 111 | Y | 92.9 | Very high | 89.6 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 11% | 0.106 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.1 | 175.2 | -59.5 | -84.6 | 0 | 0 | 0 | 110.3 | A104 T106 T109 L122 Y123 L124 L136 V156 F168 | A104-Y111 PolarHBondContact N-O 3.29Å; A104-Y111 PolarHBondContact O-N 3.14Å; T106-Y111 HydrophobicContact CG2-CD2 4.47Å; T106-Y111 HydrophobicContact CG2-CE2 3.95Å; T109-Y111 WeakPolarHBondContact OG1-CE2 3.48Å; Y111-L122 HydrophobicContact CD1-CD1 4.5Å; Y111-Y123 CarbonylContact C-O 3.1Å; Y111-Y123 WeakPolarHBondContact CA-O 3.21Å; Y111-L124 HydrophobicContact CD1-CB 3.96Å; Y111-L124 HydrophobicContact CD1-CG 4.4Å; Y111-L124 HydrophobicContact CE1-CB 3.8Å; Y111-L124 HydrophobicContact CE1-CD1 4.03Å; Y111-L124 HydrophobicContact CE1-CG 3.96Å; Y111-L136 HydrophobicContact CD1-CD1 4.01Å; Y111-L136 HydrophobicContact CE1-CD1 3.74Å; Y111-V156 HydrophobicContact CD2-CG2 3.55Å; Y111-V156 HydrophobicContact CE2-CG2 3.55Å; Y111-V156 HydrophobicContact CG-CG2 4.38Å; Y111-F168 HydrophobicContact CD1-CE2 4.17Å; Y111-F168 HydrophobicContact CD1-CZ 4.02Å; Y111-F168 AromaticContact CE1-CE2 3.63Å; Y111-F168 HydrophobicContact CE1-CE2 3.63Å; Y111-F168 AromaticContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE2-CE2 4.29Å; Y111-F168 HydrophobicContact CE2-CZ 4.45Å; Y111-F168 HydrophobicContact CG-CZ 4.31Å; Y111-F168 AromaticContact CZ-CE2 3.69Å |
| 112 | M | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.5 | 173.7 | -174.7 | -166.6 | 66.7 | 0 | 0 | 109.2 | L30 V36 L54 F101 L102 Y123 I125 | L30-M112 HydrophobicContact CD1-SD 4.21Å; V36-M112 HydrophobicContact CG2-SD 3.83Å; L54-M112 HydrophobicContact CD1-CE 3.62Å; L54-M112 HydrophobicContact CD1-SD 4.14Å; L54-M112 HydrophobicContact CD2-CE 3.4Å; L54-M112 HydrophobicContact CD2-SD 4.25Å; L54-M112 HydrophobicContact CG-CE 4.15Å; F101-M112 HydrophobicContact CD1-SD 4.31Å; L102-M112 CarbonylContact O-C 3.56Å; L102-M112 VanDerWaalsContact O-CA 3.26Å; L102-M112 WeakPolarHBondContact O-CA 3.35Å; L102-M112 WeakPolarHBondContact O-CG 3.48Å; M112-Y123 HydrophobicContact CE-CD2 3.88Å; M112-Y123 HydrophobicContact CE-CE2 4.47Å; M112-Y123 HydrophobicContact CE-CG 4.41Å; M112-Y123 PolarHBondContact N-O 3.09Å; M112-Y123 PolarHBondContact O-N 2.86Å; M112-I125 HydrophobicContact CB-CD1 4.01Å; M112-I125 HydrophobicContact CB-CG1 4.46Å; M112-I125 HydrophobicContact CB-CG2 4.04Å; M112-I125 HydrophobicContact CE-CG2 4.5Å |
| 113 | V | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.8 | 168.5 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | F101 L102 C121 L122 I146 A149 L158 | F101-V113 CarbonylContact C-O 3.59Å; F101-V113 VanDerWaalsContact CA-O 3.25Å; F101-V113 WeakPolarHBondContact CA-O 3.48Å; L102-V113 HydrophobicContact CB-CB 4.13Å; L102-V113 HydrophobicContact CD1-CB 4.47Å; L102-V113 PolarHBondContact N-O 3Å; L102-V113 PolarHBondContact O-N 2.89Å; V113-C121 CarbonylContact C-O 3.54Å; V113-C121 VanDerWaalsContact CA-O 3.31Å; V113-C121 WeakPolarHBondContact CA-O 2.93Å; V113-L122 HydrophobicContact CG2-CD1 3.71Å; V113-I146 HydrophobicContact CG1-CB 4.06Å; V113-I146 HydrophobicContact CG1-CG1 4.33Å; V113-I146 HydrophobicContact CG1-CG2 4.42Å; V113-I146 HydrophobicContact CG2-CG2 4.38Å; V113-A149 HydrophobicContact CG2-CB 4.09Å; V113-L158 HydrophobicContact CG2-CD2 4.36Å |
| 114 | K | 90.6 | Very high | 89.7 | Confident | 66 Ų | 66 | 42.2 Ų | 42.2 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.6 | 169.9 | 178.7 | -177.1 | 175.6 | -153 | 0 | 108.7 | F101 E116 C121 Y123 | F101-K114 HydrophobicContact CD1-CB 4.12Å; F101-K114 HydrophobicContact CD1-CG 4.06Å; F101-K114 HydrophobicContact CE1-CB 4.15Å; F101-K114 HydrophobicContact CE1-CD 4.11Å; F101-K114 HydrophobicContact CE1-CG 3.63Å; K114-E116 HydrophobicContact CD-CG 4.47Å; K114-E116 HydrophobicContact CG-CG 4.43Å; K114-E116 IonicContact NZ-OE1 2.72Å; K114-E116 PolarHBondContact NZ-OE1 3.28Å; K114-E116 VanDerWaalsContact NZ-OE1 3.15Å; K114-C121 PolarHBondContact N-O 2.83Å; K114-C121 PolarHBondContact O-N 3.32Å; K114-Y123 HydrophobicContact CB-CD2 4.46Å; K114-Y123 HydrophobicContact CB-CE2 3.84Å; K114-Y123 HydrophobicContact CD-CE2 4.47Å |
| 115 | Q | 88.5 | Confident | 89.7 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118.9 | 170.9 | -53.9 | -57.3 | -24.1 | 0 | 0 | 109.1 | T99 K100 S120 I146 | T99-Q115 VanDerWaalsContact O-CG 3.28Å; T99-Q115 WeakPolarHBondContact O-CG 3.31Å; K100-Q115 PolarHBondContact O-N 3.44Å; Q115-S120 PolarHBondContact OE1-OG 2.71Å; Q115-I146 PolarHBondContact NE2-O 2.85Å |
| 116 | E | 84.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | trans | -98.5 | 171.8 | 166.9 | -58.2 | -171.5 | 157.9 | 0 | 0 | 108.6 | K114 E118 R119 C121 K145 | K114-E116 HydrophobicContact CD-CG 4.47Å; K114-E116 HydrophobicContact CG-CG 4.43Å; K114-E116 IonicContact NZ-OE1 2.72Å; K114-E116 PolarHBondContact NZ-OE1 3.28Å; K114-E116 VanDerWaalsContact NZ-OE1 3.15Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.86Å; E116-R119 CarbonylContact C-O 3.54Å; E116-R119 WeakPolarHBondContact CA-O 3.39Å; E116-R119 HydrophobicContact CB-CG 4.12Å; E116-R119 WeakPolarHBondContact CB-O 3.43Å; E116-R119 PolarHBondContact N-O 2.96Å; E116-R119 IonicContact OE2-CZ 3.88Å; E116-R119 VanDerWaalsContact OE2-CZ 3.26Å; E116-R119 IonicContact OE2-NE 3.88Å; E116-R119 PolarHBondContact OE2-NE 3.28Å; E116-R119 IonicContact OE2-NH2 3.27Å; E116-R119 PolarHBondContact OE2-NH2 2.95Å; E116-C121 PolarHBondContact OE2-SG 2.86Å; E116-K145 PolarHBondContact O-NZ 2.82Å | ||
| 117 | E | 79.5 | Confident | 89.4 | Confident | 169 Ų | 169 | 42.7 Ų | 42.7 | 79% | 0.79 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -54.7 | -47.8 | -176 | -68.6 | 179.7 | 169.6 | 0 | 0 | 111.4 | K145 | E117-K145 WeakPolarHBondContact O-CE 3.49Å; E117-K145 PolarHBondContact O-NZ 3.39Å |
| 118 | E | 79.4 | Confident | 89.1 | Confident | 152 Ų | 152 | 43.8 Ų | 43.8 | 71% | 0.71 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -108.3 | -2.9 | -171.9 | -61.6 | -59.1 | 155.6 | 0 | 0 | 114.7 | E116 | E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.86Å |
| 119 | R | 86.2 | Confident | 88.6 | Confident | 129 Ų | 129 | 47 Ų | 47 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | trans | -158.8 | 160.3 | -176.2 | 63.6 | -179.4 | -174.1 | 144.9 | 7.5 | 113.7 | E116 C121 | E116-R119 CarbonylContact C-O 3.54Å; E116-R119 WeakPolarHBondContact CA-O 3.39Å; E116-R119 HydrophobicContact CB-CG 4.12Å; E116-R119 WeakPolarHBondContact CB-O 3.43Å; E116-R119 PolarHBondContact N-O 2.96Å; E116-R119 IonicContact OE2-CZ 3.88Å; E116-R119 VanDerWaalsContact OE2-CZ 3.26Å; E116-R119 IonicContact OE2-NE 3.88Å; E116-R119 PolarHBondContact OE2-NE 3.28Å; E116-R119 IonicContact OE2-NH2 3.27Å; E116-R119 PolarHBondContact OE2-NH2 2.95Å; R119-C121 PolarHBondContact NE-SG 3.45Å; R119-C121 VanDerWaalsContact NE-SG 3.45Å; R119-C121 PolarHBondContact NH2-SG 3.46Å | ||
| 120 | S | 91.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.3 | 163.7 | -50.4 | 0 | 0 | 0 | 0 | 110.3 | Q115 K145 I146 | Q115-S120 PolarHBondContact OE1-OG 2.71Å; S120-K145 WeakPolarHBondContact OG-CA 3.39Å; S120-I146 PolarHBondContact OG-N 2.87Å |
| 121 | C | 91 | Very high | 86.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.7 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | V113 K114 E116 R119 Y123 | V113-C121 CarbonylContact C-O 3.54Å; V113-C121 VanDerWaalsContact CA-O 3.31Å; V113-C121 WeakPolarHBondContact CA-O 2.93Å; K114-C121 PolarHBondContact N-O 2.83Å; K114-C121 PolarHBondContact O-N 3.32Å; E116-C121 PolarHBondContact OE2-SG 2.86Å; R119-C121 PolarHBondContact NE-SG 3.45Å; R119-C121 VanDerWaalsContact NE-SG 3.45Å; R119-C121 PolarHBondContact NH2-SG 3.46Å; C121-Y123 HydrophobicContact CB-CD2 4.44Å; C121-Y123 HydrophobicContact CB-CE2 3.5Å |
| 122 | L | 93 | Very high | 85.4 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.4 | 176.9 | 175.9 | 69.4 | 0 | 0 | 0 | 110.4 | Y111 V113 L136 M138 L158 F168 P187 | Y111-L122 HydrophobicContact CD1-CD1 4.5Å; V113-L122 HydrophobicContact CG2-CD1 3.71Å; L122-L136 HydrophobicContact CB-CB 4.29Å; L122-L136 HydrophobicContact CD2-CB 3.89Å; L122-L136 HydrophobicContact CD2-CD1 3.71Å; L122-L136 HydrophobicContact CD2-CG 4.42Å; L122-L136 HydrophobicContact CG-CB 4.05Å; L122-L136 HydrophobicContact CG-CD1 4.05Å; L122-L136 PolarHBondContact O-N 2.92Å; L122-M138 HydrophobicContact CB-CG 4.03Å; L122-M138 HydrophobicContact CB-SD 3.49Å; L122-M138 WeakPolarHBondContact CB-SD 3.42Å; L122-M138 HydrophobicContact CD2-CG 4.26Å; L122-M138 HydrophobicContact CD2-SD 3.88Å; L122-M138 HydrophobicContact CG-SD 4.26Å; L122-L158 HydrophobicContact CD2-CD1 4.23Å; L122-F168 HydrophobicContact CD2-CE1 3.81Å; L122-F168 HydrophobicContact CD2-CE2 4.48Å; L122-F168 HydrophobicContact CD2-CZ 3.68Å; L122-P187 HydrophobicContact CD2-CG 3.45Å; L122-P187 VanDerWaalsContact CD2-CG 3.45Å |
| 123 | Y | 92.1 | Very high | 85.1 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.6 | 179.4 | -58.6 | -89.4 | 0 | 0 | 0 | 110.1 | Y111 M112 K114 C121 V133 I134 H135 | Y111-Y123 CarbonylContact C-O 3.1Å; Y111-Y123 WeakPolarHBondContact CA-O 3.21Å; M112-Y123 HydrophobicContact CE-CD2 3.88Å; M112-Y123 HydrophobicContact CE-CE2 4.47Å; M112-Y123 HydrophobicContact CE-CG 4.41Å; M112-Y123 PolarHBondContact N-O 3.09Å; M112-Y123 PolarHBondContact O-N 2.86Å; K114-Y123 HydrophobicContact CB-CD2 4.46Å; K114-Y123 HydrophobicContact CB-CE2 3.84Å; K114-Y123 HydrophobicContact CD-CE2 4.47Å; C121-Y123 HydrophobicContact CB-CD2 4.44Å; C121-Y123 HydrophobicContact CB-CE2 3.5Å; Y123-V133 HydrophobicContact CD1-CG1 3.64Å; Y123-V133 HydrophobicContact CG-CG1 4.18Å; Y123-I134 CarbonylContact C-O 3.55Å; Y123-I134 VanDerWaalsContact CA-O 3.3Å; Y123-I134 WeakPolarHBondContact CA-O 3.29Å; Y123-H135 HydrophobicContact CD1-CB 4.33Å; Y123-H135 HydrophobicContact CE1-CB 4.3Å; Y123-H135 AromaticContact CE1-CD2 3.77Å |
| 124 | L | 91.9 | Very high | 84.9 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.4 | 157.8 | -178.8 | 166.7 | 0 | 0 | 0 | 106.5 | Y111 V133 I134 | Y111-L124 HydrophobicContact CD1-CB 3.96Å; Y111-L124 HydrophobicContact CD1-CG 4.4Å; Y111-L124 HydrophobicContact CE1-CB 3.8Å; Y111-L124 HydrophobicContact CE1-CD1 4.03Å; Y111-L124 HydrophobicContact CE1-CG 3.96Å; L124-V133 CarbonylContact O-C 3.51Å; L124-V133 VanDerWaalsContact O-CA 3.31Å; L124-V133 WeakPolarHBondContact O-CA 3.18Å; L124-I134 HydrophobicContact CB-CB 4.28Å; L124-I134 PolarHBondContact N-O 2.83Å; L124-I134 PolarHBondContact O-N 2.85Å |
| 125 | I | 92 | Very high | 84.8 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -20.1 | -171.6 | 61.7 | 164.6 | 0 | 0 | 0 | 114 | V36 L52 W59 L103 V110 M112 V133 | V36-I125 HydrophobicContact CB-CD1 4.09Å; V36-I125 HydrophobicContact CG1-CD1 3.85Å; V36-I125 HydrophobicContact CG2-CD1 3.74Å; L52-I125 HydrophobicContact CD2-CB 3.72Å; L52-I125 HydrophobicContact CD2-CD1 3.88Å; L52-I125 HydrophobicContact CD2-CG1 4.41Å; L52-I125 HydrophobicContact CD2-CG2 3.8Å; W59-I125 HydrophobicContact CZ2-CD1 4.5Å; W59-I125 PolarHBondContact NE1-O 2.91Å; L103-I125 HydrophobicContact CD1-CD1 4.19Å; V110-I125 HydrophobicContact CB-CD1 4.42Å; V110-I125 HydrophobicContact CB-CG1 3.92Å; V110-I125 HydrophobicContact CG1-CD1 3.67Å; V110-I125 HydrophobicContact CG1-CG1 3.65Å; V110-I125 WeakPolarHBondContact O-CG1 2.92Å; V110-I125 PolarHBondContact O-N 2.95Å; M112-I125 HydrophobicContact CB-CD1 4.01Å; M112-I125 HydrophobicContact CB-CG1 4.46Å; M112-I125 HydrophobicContact CB-CG2 4.04Å; M112-I125 HydrophobicContact CE-CG2 4.5Å; I125-V133 HydrophobicContact CB-CG2 4.4Å; I125-V133 HydrophobicContact CG2-CG1 4.22Å; I125-V133 HydrophobicContact CG2-CG2 4.19Å |
| 126 | D | 91 | Very high | 84.7 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 140.6 | 174.4 | -155.5 | 1.1 | 0 | 0 | 0 | 110.5 | Y28 R38 W59 T109 V110 | Y28-D126 HydrophobicContact CE1-CB 4.32Å; Y28-D126 PolarHBondContact OH-OD2 2.84Å; R38-D126 WeakPolarHBondContact CD-OD2 3.12Å; R38-D126 IonicContact CZ-OD2 3.15Å; R38-D126 IonicContact NE-OD2 2.82Å; R38-D126 IonicContact NH1-OD1 3.81Å; R38-D126 PolarHBondContact NH1-OD1 2.91Å; R38-D126 IonicContact NH1-OD2 3.26Å; R38-D126 PolarHBondContact NH1-OD2 3.43Å; W59-D126 HydrophobicContact CZ2-CB 4.11Å; T109-D126 CarbonylContact C-O 3.51Å; T109-D126 WeakPolarHBondContact CA-O 3.43Å; V110-D126 HydrophobicContact CB-CB 3.94Å; V110-D126 HydrophobicContact CG2-CB 4.05Å; V110-D126 PolarHBondContact N-O 2.86Å; V110-D126 PolarHBondContact O-N 2.85Å |
| 127 | S | 88.5 | Confident | 84.7 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -163 | 150.8 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | K129 F130 | S127-K129 PolarHBondContact O-N 2.81Å; S127-K129 VanDerWaalsContact O-N 3.11Å; S127-K129 PolarHBondContact OG-N 3.3Å; S127-F130 PolarHBondContact N-O 2.93Å; S127-F130 CarbonylContact O-C 3.58Å; S127-F130 PolarHBondContact O-N 3.23Å |
| 128 | P | 82.7 | Confident | 85 | Confident | 84 Ų | 84 | 57.9 Ų | 57.9 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.5 | 175.1 | -19.4 | 33.3 | 0 | 0 | 0 | 112.9 | Q108 | Q108-P128 HydrophobicContact CB-CG 3.78Å; Q108-P128 WeakPolarHBondContact O-CD 3.31Å |
| 129 | K | 77.8 | Confident | 85.3 | Confident | 174 Ų | 174 | 58.1 Ų | 58.1 | 76% | 0.757 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -23.4 | -178.4 | -64.3 | -177.2 | -178.9 | 177.4 | 0 | 113.1 | S127 | S127-K129 PolarHBondContact O-N 2.81Å; S127-K129 VanDerWaalsContact O-N 3.11Å; S127-K129 PolarHBondContact OG-N 3.3Å |
| 130 | F | 70.7 | Confident | 85.4 | Confident | 117 Ų | 117 | 53.8 Ų | 53.8 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -151.1 | 130.5 | -172.4 | -56.7 | -77.8 | 0 | 0 | 0 | 110.7 | S127 I134 | S127-F130 PolarHBondContact N-O 2.93Å; S127-F130 CarbonylContact O-C 3.58Å; S127-F130 PolarHBondContact O-N 3.23Å; F130-I134 HydrophobicContact CB-CD1 4.43Å; F130-I134 HydrophobicContact CD2-CD1 4.27Å; F130-I134 HydrophobicContact CG-CD1 4.26Å |
| 131 | C | 63.6 | Low | 85.2 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -99.9 | 13.5 | 176.8 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 132 | S | 75.2 | Confident | 84.9 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 53% | 0.531 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -116.1 | 147.9 | -178.9 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | I134 | S132-I134 PolarHBondContact O-N 3.13Š|
| 133 | V | 86 | Confident | 84.5 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 22% | 0.218 | 37% | 0.374 | C | S | . | . | trans | -67.5 | 127.9 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | L52 G57 Y123 L124 I125 | L52-V133 HydrophobicContact CD1-CG2 3.78Å; L52-V133 HydrophobicContact CD2-CG2 4.34Å; G57-V133 PolarHBondContact O-N 3.4Å; Y123-V133 HydrophobicContact CD1-CG1 3.64Å; Y123-V133 HydrophobicContact CG-CG1 4.18Å; L124-V133 CarbonylContact O-C 3.51Å; L124-V133 VanDerWaalsContact O-CA 3.31Å; L124-V133 WeakPolarHBondContact O-CA 3.18Å; I125-V133 HydrophobicContact CB-CG2 4.4Å; I125-V133 HydrophobicContact CG2-CG1 4.22Å; I125-V133 HydrophobicContact CG2-CG2 4.19Å | ||
| 134 | I | 87.3 | Confident | 84.5 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 33% | 0.328 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.9 | 175 | -58.5 | 172.1 | 0 | 0 | 0 | 108.6 | Y123 L124 F130 S132 L136 | Y123-I134 CarbonylContact C-O 3.55Å; Y123-I134 VanDerWaalsContact CA-O 3.3Å; Y123-I134 WeakPolarHBondContact CA-O 3.29Å; L124-I134 HydrophobicContact CB-CB 4.28Å; L124-I134 PolarHBondContact N-O 2.83Å; L124-I134 PolarHBondContact O-N 2.85Å; F130-I134 HydrophobicContact CB-CD1 4.43Å; F130-I134 HydrophobicContact CD2-CD1 4.27Å; F130-I134 HydrophobicContact CG-CD1 4.26Å; S132-I134 PolarHBondContact O-N 3.13Å; I134-L136 HydrophobicContact CG2-CD2 4.3Å |
| 135 | H | 88.7 | Confident | 84.4 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.2 | 171.3 | 179.2 | -88 | 0 | 0 | 0 | 110.1 | Y123 | Y123-H135 HydrophobicContact CD1-CB 4.33Å; Y123-H135 HydrophobicContact CE1-CB 4.3Å; Y123-H135 AromaticContact CE1-CD2 3.77Å |
| 136 | L | 86.9 | Confident | 84.5 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135 | 175.5 | -63.5 | -179.4 | 0 | 0 | 0 | 110 | Y111 L122 I134 F168 | Y111-L136 HydrophobicContact CD1-CD1 4.01Å; Y111-L136 HydrophobicContact CE1-CD1 3.74Å; L122-L136 HydrophobicContact CB-CB 4.29Å; L122-L136 HydrophobicContact CD2-CB 3.89Å; L122-L136 HydrophobicContact CD2-CD1 3.71Å; L122-L136 HydrophobicContact CD2-CG 4.42Å; L122-L136 HydrophobicContact CG-CB 4.05Å; L122-L136 HydrophobicContact CG-CD1 4.05Å; L122-L136 PolarHBondContact O-N 2.92Å; I134-L136 HydrophobicContact CG2-CD2 4.3Å; L136-F168 HydrophobicContact CD1-CE2 3.99Å; L136-F168 HydrophobicContact CD1-CZ 4.34Å |
| 137 | T | 84.5 | Confident | 84.5 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 132.7 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 138 | M | 86.6 | Confident | 84.8 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | trans | -128.5 | 129.7 | 171.5 | -73.1 | -167.8 | 63.3 | 0 | 0 | 109.9 | L122 L140 I146 L158 P187 | L122-M138 HydrophobicContact CB-CG 4.03Å; L122-M138 HydrophobicContact CB-SD 3.49Å; L122-M138 WeakPolarHBondContact CB-SD 3.42Å; L122-M138 HydrophobicContact CD2-CG 4.26Å; L122-M138 HydrophobicContact CD2-SD 3.88Å; L122-M138 HydrophobicContact CG-SD 4.26Å; M138-L140 HydrophobicContact CE-CD1 4.37Å; M138-L140 HydrophobicContact CE-CD2 3.93Å; M138-L140 HydrophobicContact CE-CG 4.21Å; M138-I146 HydrophobicContact CE-CD1 3.72Å; M138-I146 HydrophobicContact CE-CG1 3.91Å; M138-L158 HydrophobicContact CE-CD1 3.39Å; M138-L158 HydrophobicContact SD-CD1 3.64Å; M138-P187 HydrophobicContact CE-CB 4.13Å; M138-P187 HydrophobicContact CE-CG 4.35Å; M138-P187 HydrophobicContact CG-CB 4.04Å; M138-P187 HydrophobicContact CG-CG 3.65Å; M138-P187 HydrophobicContact SD-CB 4.42Å; M138-P187 HydrophobicContact SD-CG 4.02Å | ||
| 139 | H | 85.1 | Confident | 85.3 | Confident | 158 Ų | 158 | 70.6 Ų | 70.6 | 73% | 0.731 | 38% | 0.377 | S | S | * | . | trans | -101 | 87.3 | 174.2 | -62.3 | -62.9 | 0 | 0 | 0 | 109.2 | ||||
| 140 | L | 88.5 | Confident | 86.1 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 20% | 0.199 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 150.5 | 171.7 | -63.4 | -178.8 | 0 | 0 | 0 | 110.2 | M138 I146 | M138-L140 HydrophobicContact CE-CD1 4.37Å; M138-L140 HydrophobicContact CE-CD2 3.93Å; M138-L140 HydrophobicContact CE-CG 4.21Å; L140-I146 HydrophobicContact CD1-CD1 3.85Å; L140-I146 HydrophobicContact CD1-CG1 4.03Å; L140-I146 HydrophobicContact CD2-CD1 3.86Å; L140-I146 HydrophobicContact CG-CD1 4.49Å |
| 141 | T | 86.7 | Confident | 87.2 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 144.1 | 168.2 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | G143 T144 R164 | T141-G143 PolarHBondContact O-N 3.31Å; T141-T144 PolarHBondContact N-OG1 3.24Å; T141-T144 WeakPolarHBondContact O-CB 3.34Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 2.85Å; T141-R164 VanDerWaalsContact CB-NH1 3.31Å; T141-R164 PolarHBondContact OG1-NH1 2.88Å |
| 142 | E | 85 | Confident | 88.6 | Confident | 181 Ų | 181 | 56.4 Ų | 56.4 | 85% | 0.846 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 136 | 177 | -167.8 | 174.4 | -176.9 | 0 | 0 | 111.7 | T144 | E142-T144 PolarHBondContact O-N 3.38Š|
| 143 | G | 84.7 | Confident | 89.3 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 2.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T141 | T141-G143 PolarHBondContact O-N 3.31Š|
| 144 | T | 90.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | trans | -97.7 | 145.5 | 174.7 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | T141 E142 A162 R164 | T141-T144 PolarHBondContact N-OG1 3.24Å; T141-T144 WeakPolarHBondContact O-CB 3.34Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 2.85Å; E142-T144 PolarHBondContact O-N 3.38Å; T144-A162 HydrophobicContact CG2-CB 3.85Å; T144-R164 PolarHBondContact OG1-NH2 3.44Å | ||
| 145 | K | 91.7 | Very high | 89.8 | Confident | 64 Ų | 64 | 52 Ų | 52 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | trans | -129.6 | 146.7 | 179.8 | -66.1 | -175.1 | -178.7 | -172.1 | 0 | 109.8 | E116 E117 S120 V147 D160 S161 | E116-K145 PolarHBondContact O-NZ 2.82Å; E117-K145 WeakPolarHBondContact O-CE 3.49Å; E117-K145 PolarHBondContact O-NZ 3.39Å; S120-K145 WeakPolarHBondContact OG-CA 3.39Å; K145-V147 PolarHBondContact O-N 3.08Å; K145-D160 CarbonylContact O-C 3.54Å; K145-D160 WeakPolarHBondContact O-CA 2.9Å; K145-D160 WeakPolarHBondContact O-CB 3.47Å; K145-S161 PolarHBondContact N-OG 2.77Å; K145-S161 VanDerWaalsContact N-OG 3.12Å; K145-S161 PolarHBondContact O-N 3.37Å | ||
| 146 | I | 93.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 126.2 | 169.1 | -59.8 | -46.5 | 0 | 0 | 0 | 109 | L102 V113 Q115 S120 M138 L140 R148 L158 L159 D160 | L102-I146 HydrophobicContact CD1-CB 4.36Å; L102-I146 HydrophobicContact CD1-CG2 3.68Å; V113-I146 HydrophobicContact CG1-CB 4.06Å; V113-I146 HydrophobicContact CG1-CG1 4.33Å; V113-I146 HydrophobicContact CG1-CG2 4.42Å; V113-I146 HydrophobicContact CG2-CG2 4.38Å; Q115-I146 PolarHBondContact NE2-O 2.85Å; S120-I146 PolarHBondContact OG-N 2.87Å; M138-I146 HydrophobicContact CE-CD1 3.72Å; M138-I146 HydrophobicContact CE-CG1 3.91Å; L140-I146 HydrophobicContact CD1-CD1 3.85Å; L140-I146 HydrophobicContact CD1-CG1 4.03Å; L140-I146 HydrophobicContact CD2-CD1 3.86Å; L140-I146 HydrophobicContact CG-CD1 4.49Å; I146-R148 WeakPolarHBondContact CG2-O 3.17Å; I146-L158 HydrophobicContact CD1-CB 4.15Å; I146-L158 HydrophobicContact CG2-CB 4.36Å; I146-L158 HydrophobicContact CG2-CD2 4.43Å; I146-L159 CarbonylContact C-O 3.52Å; I146-L159 WeakPolarHBondContact CA-O 3.37Å; I146-D160 HydrophobicContact CD1-CB 3.88Å |
| 147 | V | 91.7 | Very high | 90.5 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -19.1 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | K145 L159 | K145-V147 PolarHBondContact O-N 3.08Å; V147-L159 HydrophobicContact CG2-CB 4.34Å; V147-L159 HydrophobicContact CG2-CD2 4.16Å; V147-L159 HydrophobicContact CG2-CG 3.91Å; V147-L159 WeakPolarHBondContact CG2-O 3.32Å; V147-L159 PolarHBondContact N-O 2.81Å |
| 148 | R | 93.2 | Very high | 91 | Very high | 61 Ų | 61 | 44 Ų | 44 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 142.6 | 170.6 | -56.9 | -172.1 | -179.5 | -78.7 | 8.9 | 111.3 | I146 L158 L159 D200 I201 | I146-R148 WeakPolarHBondContact CG2-O 3.17Å; R148-L158 WeakPolarHBondContact O-CA 3.47Å; R148-L159 HydrophobicContact CB-CB 4.08Å; R148-L159 HydrophobicContact CG-CD2 4.37Å; R148-L159 PolarHBondContact N-O 2.84Å; R148-L159 PolarHBondContact O-N 2.84Å; R148-D200 WeakPolarHBondContact CD-OD1 3.47Å; R148-D200 IonicContact CZ-OD1 2.87Å; R148-D200 VanDerWaalsContact CZ-OD1 3.27Å; R148-D200 IonicContact NE-OD1 3.42Å; R148-D200 PolarHBondContact NE-OD1 3.09Å; R148-D200 IonicContact NH2-OD1 3.94Å; R148-D200 PolarHBondContact NH2-OD1 2.86Å; R148-D200 IonicContact NH2-OD2 3.91Å; R148-I201 HydrophobicContact CB-CD1 4.47Å; R148-I201 HydrophobicContact CB-CG1 4.45Å |
| 149 | A | 94 | Very high | 91.4 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 119.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | L102 A104 V113 L158 | L102-A149 HydrophobicContact CB-CB 4.06Å; L102-A149 HydrophobicContact CD1-CB 4.45Å; A104-A149 HydrophobicContact CB-CB 4Å; V113-A149 HydrophobicContact CG2-CB 4.09Å; A149-L158 HydrophobicContact CB-CD2 3.51Å |
| 150 | L | 94.6 | Very high | 91.8 | Very high | 61 Ų | 61 | 35.3 Ų | 35.3 | 32% | 0.319 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.2 | -179.4 | -63.8 | 178.3 | 0 | 0 | 0 | 108.9 | V156 M157 I201 V203 | L150-V156 CarbonylContact O-C 3.58Å; L150-V156 WeakPolarHBondContact O-CA 3.43Å; L150-V156 WeakPolarHBondContact O-CG1 3.37Å; L150-M157 PolarHBondContact N-O 2.8Å; L150-M157 PolarHBondContact O-N 2.93Å; L150-I201 HydrophobicContact CD1-CD1 4.18Å; L150-I201 HydrophobicContact CD1-CG1 3.94Å; L150-I201 WeakPolarHBondContact CD1-O 3.35Å; L150-I201 HydrophobicContact CG-CD1 4.44Å; L150-V203 HydrophobicContact CB-CB 4.02Å; L150-V203 HydrophobicContact CB-CG2 3.51Å; L150-V203 HydrophobicContact CD1-CG2 4.15Å |
| 151 | A | 94.5 | Very high | 92 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 145.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A104 C105 T106 F155 V156 V203 | A104-A151 HydrophobicContact CB-CB 4.15Å; C105-A151 VanDerWaalsContact C-CB 3.44Å; C105-A151 WeakPolarHBondContact O-CB 3.2Å; T106-A151 HydrophobicContact CG2-CB 3.99Å; A151-F155 CarbonylContact C-O 3.5Å; A151-F155 VanDerWaalsContact CA-O 3.3Å; A151-F155 WeakPolarHBondContact CA-O 3.37Å; A151-V156 HydrophobicContact CB-CG2 4.16Å; A151-V203 VanDerWaalsContact C-CG1 3.45Å |
| 152 | G | 91.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | trans | -98.9 | -162.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | T106 A154 F155 V203 G204 | T106-G152 VanDerWaalsContact CA-O 3.29Å; T106-G152 WeakPolarHBondContact CA-O 3.35Å; T106-G152 WeakPolarHBondContact CB-O 2.73Å; G152-A154 PolarHBondContact O-N 3.37Å; G152-A154 VanDerWaalsContact O-N 3.09Å; G152-F155 PolarHBondContact N-O 3.06Å; G152-V203 VanDerWaalsContact N-CG1 3.27Å; G152-G204 WeakPolarHBondContact CA-O 3.19Å | ||
| 153 | N | 90.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -57.5 | -34.6 | -174.4 | -79.4 | 50.4 | 0 | 0 | 0 | 113.8 | T106 D107 G205 | T106-N153 WeakPolarHBondContact CB-O 3.26Å; D107-N153 VanDerWaalsContact CB-O 3.28Å; D107-N153 WeakPolarHBondContact CB-O 3.22Å; D107-N153 PolarHBondContact N-O 3.4Å; D107-N153 WeakPolarHBondContact OD1-CA 3.43Å; D107-N153 VanDerWaalsContact OD2-CB 3.31Å; D107-N153 WeakPolarHBondContact OD2-CB 3.32Å; D107-N153 VanDerWaalsContact OD2-CG 3.25Å; D107-N153 PolarHBondContact OD2-ND2 3.44Å; N153-G205 WeakPolarHBondContact CB-O 3.38Å; N153-G205 PolarHBondContact N-O 3.14Å; N153-G205 WeakPolarHBondContact OD1-CA 3.4Å; N153-G205 PolarHBondContact OD1-O 2.78Å |
| 154 | A | 91.3 | Very high | 93 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 41% | 0.405 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -149.5 | 17.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G152 C170 | G152-A154 PolarHBondContact O-N 3.37Å; G152-A154 VanDerWaalsContact O-N 3.09Å; A154-C170 HydrophobicContact CB-CB 3.62Å; A154-C170 VanDerWaalsContact O-CB 3.31Å; A154-C170 WeakPolarHBondContact O-CB 3.25Å; A154-C170 PolarHBondContact O-N 3.43Å |
| 155 | F | 93.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 160.7 | -179 | 74.4 | -79.9 | 0 | 0 | 0 | 110.5 | A151 G152 M157 F168 E175 L176 V203 T208 | A151-F155 CarbonylContact C-O 3.5Å; A151-F155 VanDerWaalsContact CA-O 3.3Å; A151-F155 WeakPolarHBondContact CA-O 3.37Å; G152-F155 PolarHBondContact N-O 3.06Å; F155-M157 HydrophobicContact CD2-CE 3.91Å; F155-M157 HydrophobicContact CD2-CG 4.19Å; F155-M157 HydrophobicContact CE2-CE 3.72Å; F155-M157 HydrophobicContact CE2-CG 3.87Å; F155-F168 CarbonylContact C-O 3.59Å; F155-F168 WeakPolarHBondContact CA-O 3.48Å; F155-F168 WeakPolarHBondContact CB-O 3.25Å; F155-E175 HydrophobicContact CB-CB 4.5Å; F155-E175 HydrophobicContact CD1-CB 3.65Å; F155-E175 HydrophobicContact CD1-CG 3.97Å; F155-E175 HydrophobicContact CD2-CB 4.03Å; F155-E175 HydrophobicContact CE1-CB 3.76Å; F155-E175 HydrophobicContact CE1-CG 3.98Å; F155-E175 HydrophobicContact CE2-CB 4.12Å; F155-E175 HydrophobicContact CG-CB 3.79Å; F155-E175 HydrophobicContact CZ-CB 3.99Å; F155-L176 HydrophobicContact CB-CD2 3.75Å; F155-L176 HydrophobicContact CD2-CD2 4.38Å; F155-L176 HydrophobicContact CG-CD2 4.42Å; F155-V203 HydrophobicContact CE1-CG1 4.26Å; F155-V203 HydrophobicContact CE2-CG1 3.65Å; F155-V203 HydrophobicContact CZ-CG1 3.42Å; F155-V203 VanDerWaalsContact CZ-CG1 3.42Å; F155-T208 WeakPolarHBondContact CE2-OG1 3.49Å |
| 156 | V | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.4 | -176 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | A104 T106 Y111 L150 A151 L158 S167 F168 | A104-V156 HydrophobicContact CB-CG1 4.38Å; T106-V156 HydrophobicContact CG2-CG2 4.02Å; Y111-V156 HydrophobicContact CD2-CG2 3.55Å; Y111-V156 HydrophobicContact CE2-CG2 3.55Å; Y111-V156 HydrophobicContact CG-CG2 4.38Å; L150-V156 CarbonylContact O-C 3.58Å; L150-V156 WeakPolarHBondContact O-CA 3.43Å; L150-V156 WeakPolarHBondContact O-CG1 3.37Å; A151-V156 HydrophobicContact CB-CG2 4.16Å; V156-L158 HydrophobicContact CG1-CD2 3.79Å; V156-L158 HydrophobicContact CG1-CG 4.23Å; V156-S167 VanDerWaalsContact O-CA 3.29Å; V156-S167 WeakPolarHBondContact O-CA 3.35Å; V156-F168 HydrophobicContact CB-CD1 3.93Å; V156-F168 HydrophobicContact CB-CE1 3.38Å; V156-F168 HydrophobicContact CB-CE2 4.27Å; V156-F168 HydrophobicContact CB-CZ 3.57Å; V156-F168 HydrophobicContact CG1-CD1 4.32Å; V156-F168 HydrophobicContact CG1-CE1 3.45Å; V156-F168 VanDerWaalsContact CG1-CE1 3.45Å; V156-F168 HydrophobicContact CG1-CZ 3.79Å; V156-F168 HydrophobicContact CG2-CE1 4.09Å; V156-F168 HydrophobicContact CG2-CE2 4.17Å; V156-F168 HydrophobicContact CG2-CZ 3.71Å; V156-F168 PolarHBondContact N-O 2.8Å; V156-F168 PolarHBondContact O-N 3.2Å; V156-F168 VanDerWaalsContact O-N 3.12Å |
| 157 | M | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131 | 173.3 | -67.3 | -72.1 | 176.9 | 0 | 0 | 109.3 | L150 F155 V165 H166 S167 E175 I201 V203 T208 M284 | L150-M157 PolarHBondContact N-O 2.8Å; L150-M157 PolarHBondContact O-N 2.93Å; F155-M157 HydrophobicContact CD2-CE 3.91Å; F155-M157 HydrophobicContact CD2-CG 4.19Å; F155-M157 HydrophobicContact CE2-CE 3.72Å; F155-M157 HydrophobicContact CE2-CG 3.87Å; M157-V165 HydrophobicContact SD-CG1 4.03Å; M157-H166 WeakPolarHBondContact CA-O 3.45Å; M157-S167 WeakPolarHBondContact SD-CB 3.5Å; M157-E175 WeakPolarHBondContact CE-O 3.42Å; M157-I201 HydrophobicContact CB-CD1 3.82Å; M157-V203 HydrophobicContact CB-CG2 3.74Å; M157-V203 HydrophobicContact CG-CG2 3.77Å; M157-T208 HydrophobicContact CE-CG2 4.49Å; M157-T208 HydrophobicContact CG-CG2 4.03Å; M157-T208 HydrophobicContact SD-CG2 4.48Å; M157-M284 HydrophobicContact CE-CE 3.81Å; M157-M284 HydrophobicContact SD-CE 3.85Å |
| 158 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.4 | 178.9 | -53.7 | 177 | 0 | 0 | 0 | 108.5 | V113 L122 M138 I146 R148 A149 V156 V165 H166 F168 P187 | V113-L158 HydrophobicContact CG2-CD2 4.36Å; L122-L158 HydrophobicContact CD2-CD1 4.23Å; M138-L158 HydrophobicContact CE-CD1 3.39Å; M138-L158 HydrophobicContact SD-CD1 3.64Å; I146-L158 HydrophobicContact CD1-CB 4.15Å; I146-L158 HydrophobicContact CG2-CB 4.36Å; I146-L158 HydrophobicContact CG2-CD2 4.43Å; R148-L158 WeakPolarHBondContact O-CA 3.47Å; A149-L158 HydrophobicContact CB-CD2 3.51Å; V156-L158 HydrophobicContact CG1-CD2 3.79Å; V156-L158 HydrophobicContact CG1-CG 4.23Å; L158-V165 CarbonylContact O-C 3.55Å; L158-V165 WeakPolarHBondContact O-CA 3.31Å; L158-H166 HydrophobicContact CB-CB 4.29Å; L158-H166 PolarHBondContact N-O 3.15Å; L158-H166 PolarHBondContact O-N 2.78Å; L158-F168 HydrophobicContact CD1-CE1 4.08Å; L158-F168 HydrophobicContact CG-CE1 4.38Å; L158-P187 HydrophobicContact CD1-CB 4.15Å; L158-P187 HydrophobicContact CD1-CG 4Å |
| 159 | L | 94.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.9 | 172.1 | 178.5 | 63.6 | 0 | 0 | 0 | 108.5 | I146 V147 R148 V165 I198 I201 | I146-L159 CarbonylContact C-O 3.52Å; I146-L159 WeakPolarHBondContact CA-O 3.37Å; V147-L159 HydrophobicContact CG2-CB 4.34Å; V147-L159 HydrophobicContact CG2-CD2 4.16Å; V147-L159 HydrophobicContact CG2-CG 3.91Å; V147-L159 WeakPolarHBondContact CG2-O 3.32Å; V147-L159 PolarHBondContact N-O 2.81Å; R148-L159 HydrophobicContact CB-CB 4.08Å; R148-L159 HydrophobicContact CG-CD2 4.37Å; R148-L159 PolarHBondContact N-O 2.84Å; R148-L159 PolarHBondContact O-N 2.84Å; L159-V165 HydrophobicContact CD1-CG2 4.1Å; L159-I198 HydrophobicContact CD1-CB 3.92Å; L159-I198 HydrophobicContact CD1-CG2 3.77Å; L159-I201 HydrophobicContact CB-CD1 3.95Å; L159-I201 HydrophobicContact CB-CG1 4.07Å; L159-I201 HydrophobicContact CD2-CG1 4.47Å |
| 160 | D | 93.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 167.3 | 174 | 72 | 29.1 | 0 | 0 | 0 | 113.7 | K145 I146 A162 G163 R164 H166 | K145-D160 CarbonylContact O-C 3.54Å; K145-D160 WeakPolarHBondContact O-CA 2.9Å; K145-D160 WeakPolarHBondContact O-CB 3.47Å; I146-D160 HydrophobicContact CD1-CB 3.88Å; D160-A162 PolarHBondContact O-N 2.78Å; D160-A162 WeakPolarHBondContact OD1-CA 3.42Å; D160-A162 WeakPolarHBondContact OD1-CB 3.3Å; D160-A162 PolarHBondContact OD1-N 2.81Å; D160-A162 VanDerWaalsContact OD1-N 3.09Å; D160-G163 WeakPolarHBondContact O-CA 3.34Å; D160-G163 PolarHBondContact O-N 2.92Å; D160-G163 PolarHBondContact OD1-N 2.91Å; D160-G163 VanDerWaalsContact OD1-N 3.14Å; D160-R164 PolarHBondContact N-O 2.81Å; D160-R164 WeakPolarHBondContact OD1-CB 3.22Å; D160-R164 PolarHBondContact OD1-N 3.16Å; D160-R164 IonicContact OD1-NE 2.67Å; D160-R164 PolarHBondContact OD1-NE 2.77Å; D160-R164 IonicContact OD2-CZ 2.73Å; D160-R164 IonicContact OD2-NE 3.12Å; D160-R164 PolarHBondContact OD2-NE 3.19Å; D160-R164 IonicContact OD2-NH2 3.13Å; D160-R164 PolarHBondContact OD2-NH2 2.76Å; D160-H166 IonicContact OD2-CD2 3.44Å; D160-H166 IonicContact OD2-NE2 3.49Å; D160-H166 PolarHBondContact OD2-NE2 2.91Å; D160-H166 VanDerWaalsContact OD2-NE2 3.13Å |
| 161 | S | 92.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 15 Ų | 15 | 32% | 0.322 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.2 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | K145 G163 R197 | K145-S161 PolarHBondContact N-OG 2.77Å; K145-S161 VanDerWaalsContact N-OG 3.12Å; K145-S161 PolarHBondContact O-N 3.37Å; S161-G163 PolarHBondContact O-N 2.84Å; S161-R197 PolarHBondContact O-NH2 3.48Å |
| 162 | A | 91.7 | Very high | 93.2 | Very high | 45 Ų | 45 | 17.9 Ų | 17.9 | 37% | 0.372 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T144 D160 R164 | T144-A162 HydrophobicContact CG2-CB 3.85Å; D160-A162 PolarHBondContact O-N 2.78Å; D160-A162 WeakPolarHBondContact OD1-CA 3.42Å; D160-A162 WeakPolarHBondContact OD1-CB 3.3Å; D160-A162 PolarHBondContact OD1-N 2.81Å; D160-A162 VanDerWaalsContact OD1-N 3.09Å; A162-R164 HydrophobicContact CB-CG 4.32Å |
| 163 | G | 92.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 79.7 | 29.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | D160 S161 I198 | D160-G163 WeakPolarHBondContact O-CA 3.34Å; D160-G163 PolarHBondContact O-N 2.92Å; D160-G163 PolarHBondContact OD1-N 2.91Å; D160-G163 VanDerWaalsContact OD1-N 3.14Å; S161-G163 PolarHBondContact O-N 2.84Å; G163-I198 WeakPolarHBondContact CA-O 3.37Å; G163-I198 WeakPolarHBondContact O-CB 2.89Å; G163-I198 PolarHBondContact O-N 2.9Å |
| 164 | R | 93.4 | Very high | 92.8 | Very high | 50 Ų | 50 | 23 Ų | 23 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | trans | -101.8 | 147.6 | 173.9 | -52.7 | 172 | -61.9 | -170.7 | -0.8 | 110.2 | T141 T144 D160 A162 L189 | T141-R164 VanDerWaalsContact CB-NH1 3.31Å; T141-R164 PolarHBondContact OG1-NH1 2.88Å; T144-R164 PolarHBondContact OG1-NH2 3.44Å; D160-R164 PolarHBondContact N-O 2.81Å; D160-R164 WeakPolarHBondContact OD1-CB 3.22Å; D160-R164 PolarHBondContact OD1-N 3.16Å; D160-R164 IonicContact OD1-NE 2.67Å; D160-R164 PolarHBondContact OD1-NE 2.77Å; D160-R164 IonicContact OD2-CZ 2.73Å; D160-R164 IonicContact OD2-NE 3.12Å; D160-R164 PolarHBondContact OD2-NE 3.19Å; D160-R164 IonicContact OD2-NH2 3.13Å; D160-R164 PolarHBondContact OD2-NH2 2.76Å; A162-R164 HydrophobicContact CB-CG 4.32Å; R164-L189 HydrophobicContact CB-CD1 3.72Å; R164-L189 HydrophobicContact CG-CD1 4.41Å | ||
| 165 | V | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.2 | -178 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | M157 L158 L159 L190 I198 I201 M284 | M157-V165 HydrophobicContact SD-CG1 4.03Å; L158-V165 CarbonylContact O-C 3.55Å; L158-V165 WeakPolarHBondContact O-CA 3.31Å; L159-V165 HydrophobicContact CD1-CG2 4.1Å; V165-L190 HydrophobicContact CG1-CD1 4.4Å; V165-L190 HydrophobicContact CG1-CD2 4.38Å; V165-L190 WeakPolarHBondContact O-CB 3.39Å; V165-L190 PolarHBondContact O-N 2.67Å; V165-I198 HydrophobicContact CG2-CB 4.02Å; V165-I198 HydrophobicContact CG2-CG1 3.81Å; V165-I198 HydrophobicContact CG2-CG2 3.95Å; V165-I201 HydrophobicContact CG2-CG2 3.98Å; V165-M284 HydrophobicContact CG1-CE 4.32Å |
| 166 | H | 95.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 3% | 0.032 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 144.4 | 171.7 | -53.5 | -109.2 | 0 | 0 | 0 | 109 | M157 L158 D160 P187 S188 | M157-H166 WeakPolarHBondContact CA-O 3.45Å; L158-H166 HydrophobicContact CB-CB 4.29Å; L158-H166 PolarHBondContact N-O 3.15Å; L158-H166 PolarHBondContact O-N 2.78Å; D160-H166 IonicContact OD2-CD2 3.44Å; D160-H166 IonicContact OD2-NE2 3.49Å; D160-H166 PolarHBondContact OD2-NE2 2.91Å; D160-H166 VanDerWaalsContact OD2-NE2 3.13Å; H166-P187 HydrophobicContact CB-CB 4.32Å; H166-S188 CarbonylContact C-O 3.56Å; H166-S188 WeakPolarHBondContact CA-O 3.31Å |
| 167 | S | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.3 | 178.6 | 86 | 0 | 0 | 0 | 0 | 112.7 | V156 M157 L176 H178 S188 | V156-S167 VanDerWaalsContact O-CA 3.29Å; V156-S167 WeakPolarHBondContact O-CA 3.35Å; M157-S167 WeakPolarHBondContact SD-CB 3.5Å; S167-L176 WeakPolarHBondContact OG-CA 3.21Å; S167-L176 VanDerWaalsContact OG-CB 3.31Å; S167-L176 WeakPolarHBondContact OG-CB 3.28Å; S167-L176 PolarHBondContact OG-O 2.83Å; S167-H178 PolarHBondContact OG-NE2 3.38Å; S167-S188 PolarHBondContact N-O 2.75Å; S167-S188 PolarHBondContact O-N 3.33Å |
| 168 | F | 96 | Very high | 92.1 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 170.9 | 171.7 | 67.7 | -73.9 | 0 | 0 | 0 | 111.6 | Y111 L122 L136 F155 V156 L158 L176 R184 E186 P187 | Y111-F168 HydrophobicContact CD1-CE2 4.17Å; Y111-F168 HydrophobicContact CD1-CZ 4.02Å; Y111-F168 AromaticContact CE1-CE2 3.63Å; Y111-F168 HydrophobicContact CE1-CE2 3.63Å; Y111-F168 AromaticContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE1-CZ 3.97Å; Y111-F168 HydrophobicContact CE2-CE2 4.29Å; Y111-F168 HydrophobicContact CE2-CZ 4.45Å; Y111-F168 HydrophobicContact CG-CZ 4.31Å; Y111-F168 AromaticContact CZ-CE2 3.69Å; L122-F168 HydrophobicContact CD2-CE1 3.81Å; L122-F168 HydrophobicContact CD2-CE2 4.48Å; L122-F168 HydrophobicContact CD2-CZ 3.68Å; L136-F168 HydrophobicContact CD1-CE2 3.99Å; L136-F168 HydrophobicContact CD1-CZ 4.34Å; F155-F168 CarbonylContact C-O 3.59Å; F155-F168 WeakPolarHBondContact CA-O 3.48Å; F155-F168 WeakPolarHBondContact CB-O 3.25Å; V156-F168 HydrophobicContact CB-CD1 3.93Å; V156-F168 HydrophobicContact CB-CE1 3.38Å; V156-F168 HydrophobicContact CB-CE2 4.27Å; V156-F168 HydrophobicContact CB-CZ 3.57Å; V156-F168 HydrophobicContact CG1-CD1 4.32Å; V156-F168 HydrophobicContact CG1-CE1 3.45Å; V156-F168 VanDerWaalsContact CG1-CE1 3.45Å; V156-F168 HydrophobicContact CG1-CZ 3.79Å; V156-F168 HydrophobicContact CG2-CE1 4.09Å; V156-F168 HydrophobicContact CG2-CE2 4.17Å; V156-F168 HydrophobicContact CG2-CZ 3.71Å; V156-F168 PolarHBondContact N-O 2.8Å; V156-F168 PolarHBondContact O-N 3.2Å; V156-F168 VanDerWaalsContact O-N 3.12Å; L158-F168 HydrophobicContact CD1-CE1 4.08Å; L158-F168 HydrophobicContact CG-CE1 4.38Å; F168-L176 VanDerWaalsContact C-CD2 3.47Å; F168-L176 WeakPolarHBondContact O-CD2 2.95Å; F168-R184 HydrophobicContact CB-CB 4.48Å; F168-E186 VanDerWaalsContact CB-C 3.47Å; F168-E186 WeakPolarHBondContact CB-O 3.3Å; F168-P187 HydrophobicContact CD1-CB 4.07Å; F168-P187 HydrophobicContact CD1-CG 3.57Å; F168-P187 HydrophobicContact CE1-CG 3.77Å; F168-P187 HydrophobicContact CG-CG 4.13Å |
| 169 | G | 93.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 19% | 0.186 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.2 | -143.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G171 S183 R184 | G169-G171 PolarHBondContact O-N 3.49Å; G169-S183 CarbonylContact O-C 3.46Å; G169-S183 VanDerWaalsContact O-CA 3.3Å; G169-S183 WeakPolarHBondContact O-CA 3.29Å; G169-S183 VanDerWaalsContact O-CB 3.25Å; G169-S183 WeakPolarHBondContact O-CB 3.25Å; G169-R184 WeakPolarHBondContact CA-O 3.49Å; G169-R184 PolarHBondContact N-O 3.36Å; G169-R184 PolarHBondContact O-N 2.97Å |
| 170 | C | 92 | Very high | 91.5 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 20% | 0.203 | 16% | 0.164 | C | C | . | . | trans | -68.5 | 124 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | A154 T172 | A154-C170 HydrophobicContact CB-CB 3.62Å; A154-C170 VanDerWaalsContact O-CB 3.31Å; A154-C170 WeakPolarHBondContact O-CB 3.25Å; A154-C170 PolarHBondContact O-N 3.43Å; C170-T172 PolarHBondContact SG-OG1 3.47Å | ||
| 171 | G | 91.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -114.6 | 12 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G169 R173 G174 E175 L181 S183 | G169-G171 PolarHBondContact O-N 3.49Å; G171-R173 PolarHBondContact O-N 2.71Å; G171-R173 VanDerWaalsContact O-N 3.08Å; G171-G174 VanDerWaalsContact O-CA 3.29Å; G171-G174 WeakPolarHBondContact O-CA 3.29Å; G171-G174 PolarHBondContact O-N 3.16Å; G171-E175 WeakPolarHBondContact CA-OE2 3.43Å; G171-L181 CarbonylContact C-O 3.4Å; G171-L181 CarbonylContact O-C 3.55Å; G171-L181 WeakPolarHBondContact O-CA 3.38Å; G171-L181 VanDerWaalsContact O-O 3.1Å; G171-S183 PolarHBondContact N-OG 3.4Å | ||
| 172 | T | 89.2 | Confident | 91.5 | Very high | 82 Ų | 82 | 34.4 Ų | 34.4 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.8 | -170.1 | 63.2 | 0 | 0 | 0 | 0 | 115 | C170 E175 | C170-T172 PolarHBondContact SG-OG1 3.47Å; T172-E175 PolarHBondContact N-OE2 3.03Å |
| 173 | R | 84.6 | Confident | 91.6 | Very high | 149 Ų | 149 | 35.7 Ų | 35.7 | 56% | 0.562 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 13 | 171.7 | -47 | 171.6 | 172.4 | -87.6 | -1.7 | 111.1 | G171 E175 | G171-R173 PolarHBondContact O-N 2.71Å; G171-R173 VanDerWaalsContact O-N 3.08Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 VanDerWaalsContact C-OE2 3.3Å; R173-E175 VanDerWaalsContact CA-OE2 3.31Å; R173-E175 WeakPolarHBondContact CA-OE2 3.18Å; R173-E175 VanDerWaalsContact CB-CD 3.46Å; R173-E175 HydrophobicContact CB-CG 4.23Å; R173-E175 WeakPolarHBondContact CB-OE1 3.31Å; R173-E175 WeakPolarHBondContact CD-OE1 2.77Å; R173-E175 WeakPolarHBondContact CG-OE1 3.25Å; R173-E175 PolarHBondContact N-OE2 2.67Å; R173-E175 PolarHBondContact O-N 2.89Å |
| 174 | G | 87.6 | Confident | 91.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 49.5 | 42.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G171 L176 G177 S286 | G171-G174 VanDerWaalsContact O-CA 3.29Å; G171-G174 WeakPolarHBondContact O-CA 3.29Å; G171-G174 PolarHBondContact O-N 3.16Å; G174-L176 PolarHBondContact O-N 3.1Å; G174-G177 PolarHBondContact O-N 3.08Å; G174-G177 VanDerWaalsContact O-N 3.09Å; G174-S286 PolarHBondContact O-N 2.78Å | ||
| 175 | E | 88.8 | Confident | 91.6 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -31.9 | 166.3 | -55 | 93.2 | 149.3 | 0 | 0 | 111.3 | F155 M157 G171 T172 R173 G177 W206 | F155-E175 HydrophobicContact CB-CB 4.5Å; F155-E175 HydrophobicContact CD1-CB 3.65Å; F155-E175 HydrophobicContact CD1-CG 3.97Å; F155-E175 HydrophobicContact CD2-CB 4.03Å; F155-E175 HydrophobicContact CE1-CB 3.76Å; F155-E175 HydrophobicContact CE1-CG 3.98Å; F155-E175 HydrophobicContact CE2-CB 4.12Å; F155-E175 HydrophobicContact CG-CB 3.79Å; F155-E175 HydrophobicContact CZ-CB 3.99Å; M157-E175 WeakPolarHBondContact CE-O 3.42Å; G171-E175 WeakPolarHBondContact CA-OE2 3.43Å; T172-E175 PolarHBondContact N-OE2 3.03Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 VanDerWaalsContact C-OE2 3.3Å; R173-E175 VanDerWaalsContact CA-OE2 3.31Å; R173-E175 WeakPolarHBondContact CA-OE2 3.18Å; R173-E175 VanDerWaalsContact CB-CD 3.46Å; R173-E175 HydrophobicContact CB-CG 4.23Å; R173-E175 WeakPolarHBondContact CB-OE1 3.31Å; R173-E175 WeakPolarHBondContact CD-OE1 2.77Å; R173-E175 WeakPolarHBondContact CG-OE1 3.25Å; R173-E175 PolarHBondContact N-OE2 2.67Å; R173-E175 PolarHBondContact O-N 2.89Å; E175-G177 VanDerWaalsContact C-N 3.3Å; E175-G177 PolarHBondContact O-N 3.27Å; E175-W206 HydrophobicContact CG-CB 4.22Å; E175-W206 WeakPolarHBondContact CG-O 3.22Å |
| 176 | L | 91.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -15.6 | -179.3 | -57.4 | -170.4 | 0 | 0 | 0 | 114.3 | F155 S167 F168 G174 H178 R184 | F155-L176 HydrophobicContact CB-CD2 3.75Å; F155-L176 HydrophobicContact CD2-CD2 4.38Å; F155-L176 HydrophobicContact CG-CD2 4.42Å; S167-L176 WeakPolarHBondContact OG-CA 3.21Å; S167-L176 VanDerWaalsContact OG-CB 3.31Å; S167-L176 WeakPolarHBondContact OG-CB 3.28Å; S167-L176 PolarHBondContact OG-O 2.83Å; F168-L176 VanDerWaalsContact C-CD2 3.47Å; F168-L176 WeakPolarHBondContact O-CD2 2.95Å; G174-L176 PolarHBondContact O-N 3.1Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 PolarHBondContact O-N 3.06Å; L176-R184 HydrophobicContact CD1-CB 4.09Å; L176-R184 HydrophobicContact CD1-CG 3.96Å |
| 177 | G | 89.4 | Confident | 91.5 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | trans | 63.8 | 25.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G174 E175 Y192 | G174-G177 PolarHBondContact O-N 3.08Å; G174-G177 VanDerWaalsContact O-N 3.09Å; E175-G177 VanDerWaalsContact C-N 3.3Å; E175-G177 PolarHBondContact O-N 3.27Å; G177-Y192 WeakPolarHBondContact O-CD2 3.37Å; G177-Y192 WeakPolarHBondContact O-CE2 3.31Å | ||
| 178 | H | 90.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -92.6 | 11.4 | 177.5 | -69.7 | -62.5 | 0 | 0 | 0 | 114.3 | S167 L176 S180 R184 S188 L189 | S167-H178 PolarHBondContact OG-NE2 3.38Å; L176-H178 VanDerWaalsContact C-N 3.27Å; L176-H178 PolarHBondContact O-N 3.06Å; H178-S180 PolarHBondContact O-N 3.09Å; H178-R184 PolarHBondContact CD2-NE 3.45Å; H178-R184 VanDerWaalsContact CD2-NE 3.32Å; H178-S188 PolarHBondContact CE1-O 3.41Å; H178-S188 VanDerWaalsContact CE1-O 3.3Å; H178-S188 WeakPolarHBondContact NE2-CB 3.09Å; H178-L189 PolarHBondContact CE1-O 2.72Å |
| 179 | G | 88 | Confident | 91.4 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 71.6 | 9.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y192 | G179-Y192 VanDerWaalsContact CA-OH 3.24Å; G179-Y192 WeakPolarHBondContact CA-OH 3.39Å; G179-Y192 PolarHBondContact N-OH 2.8Å |
| 180 | S | 89.2 | Confident | 91.3 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -135.4 | 168.6 | 175.2 | 75.4 | 0 | 0 | 0 | 0 | 110.8 | H178 E182 | H178-S180 PolarHBondContact O-N 3.09Å; S180-E182 VanDerWaalsContact C-N 3.32Å; S180-E182 PolarHBondContact OG-N 3.21Å |
| 181 | L | 91.8 | Very high | 91.2 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | trans | -96.7 | 18.8 | 174.7 | -59.6 | -179.2 | 0 | 0 | 0 | 112.7 | G171 S286 | G171-L181 CarbonylContact C-O 3.4Å; G171-L181 CarbonylContact O-C 3.55Å; G171-L181 WeakPolarHBondContact O-CA 3.38Å; G171-L181 VanDerWaalsContact O-O 3.1Å; L181-S286 VanDerWaalsContact CD2-OG 3.31Å; L181-S286 WeakPolarHBondContact CD2-OG 3.13Å | ||
| 182 | E | 93.7 | Very high | 90.9 | Very high | 132 Ų | 132 | 58.1 Ų | 58.1 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | trans | -83.9 | 133.5 | -176.3 | -65.6 | 179.3 | 163.9 | 0 | 0 | 110.7 | S180 | S180-E182 VanDerWaalsContact C-N 3.32Å; S180-E182 PolarHBondContact OG-N 3.21Å | ||
| 183 | S | 94.6 | Very high | 90.6 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | trans | -77.9 | 149.7 | 171.7 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | G169 G171 | G169-S183 CarbonylContact O-C 3.46Å; G169-S183 VanDerWaalsContact O-CA 3.3Å; G169-S183 WeakPolarHBondContact O-CA 3.29Å; G169-S183 VanDerWaalsContact O-CB 3.25Å; G169-S183 WeakPolarHBondContact O-CB 3.25Å; G171-S183 PolarHBondContact N-OG 3.4Å | ||
| 184 | R | 94.6 | Very high | 90.7 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.9 | -179.8 | -60.3 | -169.2 | 179 | -153.2 | 2.4 | 110.1 | F168 G169 L176 H178 S188 | F168-R184 HydrophobicContact CB-CB 4.48Å; G169-R184 WeakPolarHBondContact CA-O 3.49Å; G169-R184 PolarHBondContact N-O 3.36Å; G169-R184 PolarHBondContact O-N 2.97Å; L176-R184 HydrophobicContact CD1-CB 4.09Å; L176-R184 HydrophobicContact CD1-CG 3.96Å; H178-R184 PolarHBondContact CD2-NE 3.45Å; H178-R184 VanDerWaalsContact CD2-NE 3.32Å; R184-S188 VanDerWaalsContact CD-OG 3.27Å; R184-S188 WeakPolarHBondContact CD-OG 3.3Å; R184-S188 PolarHBondContact NH1-OG 2.75Å |
| 185 | T | 91.5 | Very high | 90.6 | Very high | 126 Ų | 126 | 55.3 Ų | 55.3 | 77% | 0.773 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -17.8 | -179.9 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 186 | E | 91.9 | Very high | 90.4 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.8 | -178.9 | -63.8 | -174.7 | 159.1 | 0 | 0 | 110.7 | F168 S188 | F168-E186 VanDerWaalsContact CB-C 3.47Å; F168-E186 WeakPolarHBondContact CB-O 3.3Å; E186-S188 PolarHBondContact O-N 2.85Å; E186-S188 PolarHBondContact O-OG 3.12Å |
| 187 | P | 95.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 10% | 0.104 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 128.9 | 176.1 | -28.9 | 37.7 | 0 | 0 | 0 | 112.7 | L122 M138 L158 H166 F168 | L122-P187 HydrophobicContact CD2-CG 3.45Å; L122-P187 VanDerWaalsContact CD2-CG 3.45Å; M138-P187 HydrophobicContact CE-CB 4.13Å; M138-P187 HydrophobicContact CE-CG 4.35Å; M138-P187 HydrophobicContact CG-CB 4.04Å; M138-P187 HydrophobicContact CG-CG 3.65Å; M138-P187 HydrophobicContact SD-CB 4.42Å; M138-P187 HydrophobicContact SD-CG 4.02Å; L158-P187 HydrophobicContact CD1-CB 4.15Å; L158-P187 HydrophobicContact CD1-CG 4Å; H166-P187 HydrophobicContact CB-CB 4.32Å; F168-P187 HydrophobicContact CD1-CB 4.07Å; F168-P187 HydrophobicContact CD1-CG 3.57Å; F168-P187 HydrophobicContact CE1-CG 3.77Å; F168-P187 HydrophobicContact CG-CG 4.13Å |
| 188 | S | 94.4 | Very high | 90.5 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136 | 178.9 | -72.1 | 0 | 0 | 0 | 0 | 111.1 | H166 S167 H178 R184 E186 | H166-S188 CarbonylContact C-O 3.56Å; H166-S188 WeakPolarHBondContact CA-O 3.31Å; S167-S188 PolarHBondContact N-O 2.75Å; S167-S188 PolarHBondContact O-N 3.33Å; H178-S188 PolarHBondContact CE1-O 3.41Å; H178-S188 VanDerWaalsContact CE1-O 3.3Å; H178-S188 WeakPolarHBondContact NE2-CB 3.09Å; R184-S188 VanDerWaalsContact CD-OG 3.27Å; R184-S188 WeakPolarHBondContact CD-OG 3.3Å; R184-S188 PolarHBondContact NH1-OG 2.75Å; E186-S188 PolarHBondContact O-N 2.85Å; E186-S188 PolarHBondContact O-OG 3.12Å |
| 189 | L | 94.9 | Very high | 90.6 | Very high | 42 Ų | 42 | 62 Ų | 62 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.1 | 179.6 | 178.9 | 61.2 | 0 | 0 | 0 | 112 | R164 H178 | R164-L189 HydrophobicContact CB-CD1 3.72Å; R164-L189 HydrophobicContact CG-CD1 4.41Å; H178-L189 PolarHBondContact CE1-O 2.72Å |
| 190 | L | 92.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | trans | -89 | 105.5 | 171 | -82.2 | 73.5 | 0 | 0 | 0 | 110.4 | V165 Y192 F193 M284 | V165-L190 HydrophobicContact CG1-CD1 4.4Å; V165-L190 HydrophobicContact CG1-CD2 4.38Å; V165-L190 WeakPolarHBondContact O-CB 3.39Å; V165-L190 PolarHBondContact O-N 2.67Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.88Å; L190-F193 HydrophobicContact CB-CD2 4.21Å; L190-F193 HydrophobicContact CD2-CE2 4.18Å; L190-M284 HydrophobicContact CD2-CE 4.16Å; L190-M284 HydrophobicContact CD2-SD 3.21Å; L190-M284 WeakPolarHBondContact CD2-SD 3.04Å | ||
| 191 | H | 90.1 | Very high | 91 | Very high | 120 Ų | 120 | 59.5 Ų | 59.5 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -75.7 | -12 | -176.2 | -70.7 | -73 | 0 | 0 | 0 | 115.4 | F193 D194 | H191-F193 PolarHBondContact O-N 2.85Å; H191-F193 VanDerWaalsContact O-N 3.1Å; H191-D194 WeakPolarHBondContact CA-OD1 3.03Å; H191-D194 IonicContact CG-OD2 3.79Å; H191-D194 IonicContact ND1-OD1 3.48Å; H191-D194 PolarHBondContact ND1-OD1 2.92Å; H191-D194 IonicContact ND1-OD2 3.1Å; H191-D194 PolarHBondContact ND1-OD2 2.87Å; H191-D194 VanDerWaalsContact ND1-OD2 3.1Å; H191-D194 VanDerWaalsContact O-CG 3.24Å; H191-D194 PolarHBondContact O-N 2.91Å; H191-D194 VanDerWaalsContact O-N 3.16Å |
| 192 | Y | 83.5 | Confident | 91.1 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -59.1 | -24.4 | 177.4 | -65.7 | -78.2 | 0 | 0 | 0 | 113 | G177 G179 L190 T222 | G177-Y192 WeakPolarHBondContact O-CD2 3.37Å; G177-Y192 WeakPolarHBondContact O-CE2 3.31Å; G179-Y192 VanDerWaalsContact CA-OH 3.24Å; G179-Y192 WeakPolarHBondContact CA-OH 3.39Å; G179-Y192 PolarHBondContact N-OH 2.8Å; L190-Y192 VanDerWaalsContact C-N 3.31Å; L190-Y192 PolarHBondContact O-N 2.88Å; Y192-T222 WeakPolarHBondContact CD1-O 3.46Å; Y192-T222 HydrophobicContact CE1-CG2 4.05Å |
| 193 | F | 84.8 | Confident | 91.1 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -103.7 | 13.7 | -177.3 | -54 | -69.1 | 0 | 0 | 0 | 113.4 | L190 H191 S195 T196 I198 A210 P223 R282 M284 | L190-F193 HydrophobicContact CB-CD2 4.21Å; L190-F193 HydrophobicContact CD2-CE2 4.18Å; H191-F193 PolarHBondContact O-N 2.85Å; H191-F193 VanDerWaalsContact O-N 3.1Å; F193-S195 PolarHBondContact O-N 3.19Å; F193-T196 CarbonylContact O-C 3.47Å; F193-T196 PolarHBondContact O-N 2.77Å; F193-I198 HydrophobicContact CB-CG1 4.29Å; F193-I198 HydrophobicContact CD1-CD1 3.63Å; F193-I198 HydrophobicContact CD1-CG1 4.15Å; F193-I198 HydrophobicContact CD2-CG1 4.29Å; F193-I198 HydrophobicContact CE1-CD1 3.75Å; F193-I198 HydrophobicContact CE1-CG1 4.46Å; F193-I198 HydrophobicContact CG-CD1 4.03Å; F193-I198 HydrophobicContact CG-CG1 4.02Å; F193-I198 HydrophobicContact CZ-CD1 4.29Å; F193-A210 HydrophobicContact CE1-CB 4.49Å; F193-A210 HydrophobicContact CZ-CB 4Å; F193-P223 HydrophobicContact CE1-CG 3.69Å; F193-P223 HydrophobicContact CE2-CG 4.15Å; F193-P223 HydrophobicContact CZ-CG 3.31Å; F193-R282 VanDerWaalsContact CD1-NH1 3.31Å; F193-R282 HydrophobicContact CE1-CB 4.38Å; F193-R282 HydrophobicContact CE1-CG 4.44Å; F193-M284 HydrophobicContact CE2-SD 3.75Å; F193-M284 HydrophobicContact CZ-CG 4.46Å; F193-M284 HydrophobicContact CZ-SD 4.06Å |
| 194 | D | 86 | Confident | 90.9 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 57% | 0.572 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.5 | -177.9 | -75.9 | -8.2 | 0 | 0 | 0 | 112.8 | H191 | H191-D194 WeakPolarHBondContact CA-OD1 3.03Å; H191-D194 IonicContact CG-OD2 3.79Å; H191-D194 IonicContact ND1-OD1 3.48Å; H191-D194 PolarHBondContact ND1-OD1 2.92Å; H191-D194 IonicContact ND1-OD2 3.1Å; H191-D194 PolarHBondContact ND1-OD2 2.87Å; H191-D194 VanDerWaalsContact ND1-OD2 3.1Å; H191-D194 VanDerWaalsContact O-CG 3.24Å; H191-D194 PolarHBondContact O-N 2.91Å; H191-D194 VanDerWaalsContact O-N 3.16Å |
| 195 | S | 84.4 | Confident | 90.6 | Very high | 56 Ų | 56 | 44 Ų | 44 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 30 | 173.1 | 72.9 | 0 | 0 | 0 | 0 | 113 | F193 Q216 | F193-S195 PolarHBondContact O-N 3.19Å; S195-Q216 PolarHBondContact O-OE1 3.45Å |
| 196 | T | 86.1 | Confident | 90.4 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -148.7 | 117 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | F193 I198 T212 | F193-T196 CarbonylContact O-C 3.47Å; F193-T196 PolarHBondContact O-N 2.77Å; T196-I198 PolarHBondContact O-N 3.47Å; T196-T212 HydrophobicContact CG2-CG2 3.46Å; T196-T212 VanDerWaalsContact CG2-CG2 3.46Å |
| 197 | R | 89.7 | Confident | 90.2 | Very high | 125 Ų | 125 | 39.8 Ų | 39.8 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | trans | -73 | 118.3 | 173.5 | -168.5 | 176.3 | -173.5 | -92.2 | -3.9 | 110.8 | S161 G213 | S161-R197 PolarHBondContact O-NH2 3.48Å; R197-G213 PolarHBondContact O-N 2.79Å | ||
| 198 | I | 92.4 | Very high | 90 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 131.1 | 168.3 | -58.2 | -49.5 | 0 | 0 | 0 | 109 | L159 G163 V165 F193 T196 D200 I201 A210 L211 T212 | L159-I198 HydrophobicContact CD1-CB 3.92Å; L159-I198 HydrophobicContact CD1-CG2 3.77Å; G163-I198 WeakPolarHBondContact CA-O 3.37Å; G163-I198 WeakPolarHBondContact O-CB 2.89Å; G163-I198 PolarHBondContact O-N 2.9Å; V165-I198 HydrophobicContact CG2-CB 4.02Å; V165-I198 HydrophobicContact CG2-CG1 3.81Å; V165-I198 HydrophobicContact CG2-CG2 3.95Å; F193-I198 HydrophobicContact CB-CG1 4.29Å; F193-I198 HydrophobicContact CD1-CD1 3.63Å; F193-I198 HydrophobicContact CD1-CG1 4.15Å; F193-I198 HydrophobicContact CD2-CG1 4.29Å; F193-I198 HydrophobicContact CE1-CD1 3.75Å; F193-I198 HydrophobicContact CE1-CG1 4.46Å; F193-I198 HydrophobicContact CG-CD1 4.03Å; F193-I198 HydrophobicContact CG-CG1 4.02Å; F193-I198 HydrophobicContact CZ-CD1 4.29Å; T196-I198 PolarHBondContact O-N 3.47Å; I198-D200 WeakPolarHBondContact CG2-O 3.29Å; I198-I201 HydrophobicContact CG2-CG2 3.9Å; I198-A210 HydrophobicContact CD1-CB 4.02Å; I198-A210 HydrophobicContact CG1-CB 4.49Å; I198-A210 HydrophobicContact CG2-CB 4.26Å; I198-L211 WeakPolarHBondContact CA-O 3.33Å; I198-L211 WeakPolarHBondContact CG2-O 3.38Å; I198-T212 HydrophobicContact CD1-CG2 3.89Å |
| 199 | I | 92.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 37.8 Ų | 37.8 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -24.3 | 178.4 | 63.7 | 171.1 | 0 | 0 | 0 | 112 | L211 T212 | I199-L211 HydrophobicContact CD1-CD2 3.74Å; I199-L211 HydrophobicContact CD1-CG 3.8Å; I199-L211 HydrophobicContact CG1-CB 4.08Å; I199-L211 HydrophobicContact CG1-CD2 3.87Å; I199-L211 HydrophobicContact CG1-CG 3.68Å; I199-L211 WeakPolarHBondContact CG1-O 3.15Å; I199-L211 PolarHBondContact N-O 2.81Å; I199-T212 WeakPolarHBondContact CD1-O 3.39Å |
| 200 | D | 92.9 | Very high | 89.8 | Confident | 28 Ų | 28 | 35.8 Ų | 35.8 | 15% | 0.15 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 158.7 | 177.9 | -153.4 | 6.3 | 0 | 0 | 0 | 112.4 | R148 I198 L211 I237 | R148-D200 WeakPolarHBondContact CD-OD1 3.47Å; R148-D200 IonicContact CZ-OD1 2.87Å; R148-D200 VanDerWaalsContact CZ-OD1 3.27Å; R148-D200 IonicContact NE-OD1 3.42Å; R148-D200 PolarHBondContact NE-OD1 3.09Å; R148-D200 IonicContact NH2-OD1 3.94Å; R148-D200 PolarHBondContact NH2-OD1 2.86Å; R148-D200 IonicContact NH2-OD2 3.91Å; I198-D200 WeakPolarHBondContact CG2-O 3.29Å; D200-L211 HydrophobicContact CB-CB 3.93Å; D200-L211 HydrophobicContact CB-CD2 4.12Å; D200-L211 PolarHBondContact N-O 2.82Å; D200-L211 PolarHBondContact O-N 2.58Å; D200-I237 HydrophobicContact CB-CD1 4.42Å; D200-I237 HydrophobicContact CB-CG1 4.41Å |
| 201 | I | 93.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.9 | 174 | 52.3 | 164 | 0 | 0 | 0 | 109.7 | R148 L150 M157 L159 V165 I198 L209 A210 | R148-I201 HydrophobicContact CB-CD1 4.47Å; R148-I201 HydrophobicContact CB-CG1 4.45Å; L150-I201 HydrophobicContact CD1-CD1 4.18Å; L150-I201 HydrophobicContact CD1-CG1 3.94Å; L150-I201 WeakPolarHBondContact CD1-O 3.35Å; L150-I201 HydrophobicContact CG-CD1 4.44Å; M157-I201 HydrophobicContact CB-CD1 3.82Å; L159-I201 HydrophobicContact CB-CD1 3.95Å; L159-I201 HydrophobicContact CB-CG1 4.07Å; L159-I201 HydrophobicContact CD2-CG1 4.47Å; V165-I201 HydrophobicContact CG2-CG2 3.98Å; I198-I201 HydrophobicContact CG2-CG2 3.9Å; I201-L209 CarbonylContact C-O 3.55Å; I201-L209 WeakPolarHBondContact CA-O 3.49Å; I201-A210 HydrophobicContact CG2-CB 4.49Å |
| 202 | A | 93.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 5% | 0.05 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 129 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T208 L209 I237 C239 | A202-T208 CarbonylContact O-C 3.5Å; A202-T208 WeakPolarHBondContact O-CA 3.46Å; A202-T208 WeakPolarHBondContact O-CG2 3.48Å; A202-L209 HydrophobicContact CB-CB 4.35Å; A202-L209 PolarHBondContact N-O 2.85Å; A202-L209 PolarHBondContact O-N 3.29Å; A202-I237 HydrophobicContact CB-CB 4.11Å; A202-I237 HydrophobicContact CB-CD1 3.86Å; A202-I237 HydrophobicContact CB-CG1 3.83Å; A202-C239 HydrophobicContact CB-CB 4.4Å; A202-C239 PolarHBondContact O-SG 3.43Å; A202-C239 VanDerWaalsContact O-SG 3.37Å |
| 203 | V | 92.7 | Very high | 89.8 | Confident | 20 Ų | 20 | 26.9 Ų | 26.9 | 12% | 0.121 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.8 | -172.5 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L150 A151 G152 F155 M157 T208 C239 | L150-V203 HydrophobicContact CB-CB 4.02Å; L150-V203 HydrophobicContact CB-CG2 3.51Å; L150-V203 HydrophobicContact CD1-CG2 4.15Å; A151-V203 VanDerWaalsContact C-CG1 3.45Å; G152-V203 VanDerWaalsContact N-CG1 3.27Å; F155-V203 HydrophobicContact CE1-CG1 4.26Å; F155-V203 HydrophobicContact CE2-CG1 3.65Å; F155-V203 HydrophobicContact CZ-CG1 3.42Å; F155-V203 VanDerWaalsContact CZ-CG1 3.42Å; M157-V203 HydrophobicContact CB-CG2 3.74Å; M157-V203 HydrophobicContact CG-CG2 3.77Å; V203-T208 HydrophobicContact CG2-CG2 4Å; V203-C239 VanDerWaalsContact C-CB 3.45Å; V203-C239 WeakPolarHBondContact O-CB 3.49Å |
| 204 | G | 90.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | trans | -97.5 | -165.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G152 W206 H207 C239 G240 | G152-G204 WeakPolarHBondContact CA-O 3.19Å; G204-W206 PolarHBondContact O-N 3.43Å; G204-H207 PolarHBondContact N-O 3.39Å; G204-C239 VanDerWaalsContact N-CB 3.34Å; G204-G240 WeakPolarHBondContact CA-O 3.47Å | ||
| 205 | G | 88.4 | Confident | 88 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.7 | -39.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | N153 S241 | N153-G205 WeakPolarHBondContact CB-O 3.38Å; N153-G205 PolarHBondContact N-O 3.14Å; N153-G205 WeakPolarHBondContact OD1-CA 3.4Å; N153-G205 PolarHBondContact OD1-O 2.78Å; G205-S241 WeakPolarHBondContact CA-O 3.41Å; G205-S241 PolarHBondContact N-O 2.91Å |
| 206 | W | 87.2 | Confident | 86.7 | Confident | 102 Ų | 102 | 30.9 Ų | 30.9 | 39% | 0.386 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -140.6 | 19.4 | -178.8 | -50.5 | -67.4 | 0 | 0 | 0 | 113.5 | E175 G204 R242 | E175-W206 HydrophobicContact CG-CB 4.22Å; E175-W206 WeakPolarHBondContact CG-O 3.22Å; G204-W206 PolarHBondContact O-N 3.43Å; W206-R242 HydrophobicContact CE3-CG 4.28Å; W206-R242 HydrophobicContact CZ3-CG 3.64Å |
| 207 | H | 88.4 | Confident | 85.1 | Confident | 26 Ų | 26 | 34 Ų | 34 | 12% | 0.12 | 18% | 0.183 | C | C | . | . | trans | -147.8 | 160.4 | -177.8 | 69.5 | -75.2 | 0 | 0 | 0 | 110.7 | G204 S244 L283 | G204-H207 PolarHBondContact N-O 3.39Å; H207-S244 PolarHBondContact CD2-OG 2.7Å; H207-S244 PolarHBondContact NE2-OG 2.92Å; H207-L283 HydrophobicContact CB-CD1 4.21Å | ||
| 208 | T | 91 | Very high | 83.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | F155 M157 A202 V203 L283 M284 | F155-T208 WeakPolarHBondContact CE2-OG1 3.49Å; M157-T208 HydrophobicContact CE-CG2 4.49Å; M157-T208 HydrophobicContact CG-CG2 4.03Å; M157-T208 HydrophobicContact SD-CG2 4.48Å; A202-T208 CarbonylContact O-C 3.5Å; A202-T208 WeakPolarHBondContact O-CA 3.46Å; A202-T208 WeakPolarHBondContact O-CG2 3.48Å; V203-T208 HydrophobicContact CG2-CG2 4Å; T208-L283 WeakPolarHBondContact O-CA 3.42Å; T208-M284 HydrophobicContact CG2-CE 3.24Å; T208-M284 PolarHBondContact O-N 3.26Å |
| 209 | L | 92.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.9 | 165.4 | -62.7 | 178.9 | 0 | 0 | 0 | 109.7 | I201 A202 V226 I237 V246 F256 I281 R282 L283 | I201-L209 CarbonylContact C-O 3.55Å; I201-L209 WeakPolarHBondContact CA-O 3.49Å; A202-L209 HydrophobicContact CB-CB 4.35Å; A202-L209 PolarHBondContact N-O 2.85Å; A202-L209 PolarHBondContact O-N 3.29Å; L209-V226 HydrophobicContact CD2-CG2 4.01Å; L209-I237 HydrophobicContact CB-CB 4.38Å; L209-I237 HydrophobicContact CB-CD1 3.84Å; L209-I237 HydrophobicContact CD1-CB 4.17Å; L209-I237 HydrophobicContact CD1-CG2 4.34Å; L209-I237 WeakPolarHBondContact O-CD1 3.33Å; L209-V246 HydrophobicContact CD1-CG2 4.4Å; L209-F256 HydrophobicContact CD1-CZ 4.18Å; L209-F256 HydrophobicContact CD2-CE2 4.19Å; L209-F256 HydrophobicContact CD2-CZ 3.83Å; L209-I281 HydrophobicContact CB-CG2 4.22Å; L209-I281 HydrophobicContact CD2-CG2 3.88Å; L209-I281 HydrophobicContact CG-CG2 4.45Å; L209-R282 WeakPolarHBondContact CA-O 3.3Å; L209-L283 HydrophobicContact CD2-CB 4.07Å; L209-L283 HydrophobicContact CD2-CD1 3.47Å; L209-L283 VanDerWaalsContact CD2-CD1 3.47Å; L209-L283 HydrophobicContact CD2-CG 4.36Å; L209-L283 HydrophobicContact CG-CD1 4.37Å |
| 210 | A | 92.6 | Very high | 80 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F193 I198 I201 I281 R282 | F193-A210 HydrophobicContact CE1-CB 4.49Å; F193-A210 HydrophobicContact CZ-CB 4Å; I198-A210 HydrophobicContact CD1-CB 4.02Å; I198-A210 HydrophobicContact CG1-CB 4.49Å; I198-A210 HydrophobicContact CG2-CB 4.26Å; I201-A210 HydrophobicContact CG2-CB 4.49Å; A210-I281 WeakPolarHBondContact O-CA 3.4Å; A210-R282 PolarHBondContact N-O 2.77Å; A210-R282 PolarHBondContact O-N 2.62Å |
| 211 | L | 91.8 | Very high | 78.4 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.1 | 176.4 | -177.1 | 62.9 | 0 | 0 | 0 | 109.5 | I198 I199 D200 A234 I237 I281 | I198-L211 WeakPolarHBondContact CA-O 3.33Å; I198-L211 WeakPolarHBondContact CG2-O 3.38Å; I199-L211 HydrophobicContact CD1-CD2 3.74Å; I199-L211 HydrophobicContact CD1-CG 3.8Å; I199-L211 HydrophobicContact CG1-CB 4.08Å; I199-L211 HydrophobicContact CG1-CD2 3.87Å; I199-L211 HydrophobicContact CG1-CG 3.68Å; I199-L211 WeakPolarHBondContact CG1-O 3.15Å; I199-L211 PolarHBondContact N-O 2.81Å; D200-L211 HydrophobicContact CB-CB 3.93Å; D200-L211 HydrophobicContact CB-CD2 4.12Å; D200-L211 PolarHBondContact N-O 2.82Å; D200-L211 PolarHBondContact O-N 2.58Å; L211-A234 HydrophobicContact CD1-CB 3.54Å; L211-I237 HydrophobicContact CB-CD1 3.84Å; L211-I237 HydrophobicContact CB-CG1 4.2Å; L211-I237 HydrophobicContact CB-CG2 4.37Å; L211-I281 HydrophobicContact CD1-CG1 3.82Å |
| 212 | T | 89.7 | Confident | 77.1 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 156.2 | -179 | 61.8 | 0 | 0 | 0 | 0 | 112 | T196 I198 I199 C280 | T196-T212 HydrophobicContact CG2-CG2 3.46Å; T196-T212 VanDerWaalsContact CG2-CG2 3.46Å; I198-T212 HydrophobicContact CD1-CG2 3.89Å; I199-T212 WeakPolarHBondContact CD1-O 3.39Å; T212-C280 WeakPolarHBondContact CG2-O 3.43Å; T212-C280 PolarHBondContact OG1-O 3.12Å |
| 213 | G | 84 | Confident | 76.2 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 167.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R197 S215 | R197-G213 PolarHBondContact O-N 2.79Å; G213-S215 PolarHBondContact O-N 2.82Å |
| 214 | P | 71.5 | Confident | 75.6 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 53% | 0.532 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -10.2 | -171.4 | -3.2 | -0.1 | 0 | 0 | 0 | 117.8 | R233 D279 | P214-R233 VanDerWaalsContact CB-NH1 3.3Å; P214-D279 VanDerWaalsContact CA-OD2 3.32Å; P214-D279 WeakPolarHBondContact CA-OD2 3.11Å |
| 215 | S | 62.1 | Low | 75.3 | Confident | 94 Ų | 94 | 49.2 Ų | 49.2 | 66% | 0.657 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 3.8 | -150.5 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | G213 | G213-S215 PolarHBondContact O-N 2.82Š|
| 216 | Q | 56.9 | Low | 75.1 | Confident | 80 Ų | 80 | 49.8 Ų | 49.8 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -141.9 | 103.5 | -169.2 | -62.9 | -175.3 | -2 | 0 | 0 | 112.9 | S195 K218 | S195-Q216 PolarHBondContact O-OE1 3.45Å; Q216-K218 PolarHBondContact O-N 3.49Å | ||
| 217 | S | 52.8 | Low | 74.6 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | trans | -87.1 | 8.6 | -172.8 | 53.1 | 0 | 0 | 0 | 0 | 115.7 | V219 H278 | S217-V219 PolarHBondContact O-N 3.18Å; S217-H278 VanDerWaalsContact CB-ND1 3.28Å; S217-H278 WeakPolarHBondContact CB-ND1 3.44Å | ||
| 218 | K | 57 | Low | 74.1 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | trans | -70.4 | 110 | -176.1 | -163.2 | 175.6 | -179.2 | -176.8 | 0 | 110.2 | Q216 R282 | Q216-K218 PolarHBondContact O-N 3.49Å; K218-R282 PolarHBondContact O-NH2 3.04Å | ||
| 219 | V | 54.4 | Low | 73.5 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | trans | -69.6 | 128.4 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 108 | S217 E277 | S217-V219 PolarHBondContact O-N 3.18Å; V219-E277 HydrophobicContact CG2-CB 4.31Å; V219-E277 HydrophobicContact CG2-CG 3.94Å | ||
| 220 | V | 56.9 | Low | 72.6 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | trans | -124.1 | 133.6 | 173.4 | -165.3 | 0 | 0 | 0 | 0 | 105.6 | T222 | V220-T222 WeakPolarHBondContact CG1-O 3.34Å; V220-T222 PolarHBondContact O-N 3.31Å | ||
| 221 | D | 58.7 | Low | 71.9 | Confident | 147 Ų | 147 | 61.7 Ų | 61.7 | 79% | 0.786 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -66.7 | -20.9 | -178.1 | -64.2 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 222 | T | 66.3 | Low | 71.5 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -140.6 | 124.7 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 107.6 | Y192 V220 | Y192-T222 WeakPolarHBondContact CD1-O 3.46Å; Y192-T222 HydrophobicContact CE1-CG2 4.05Å; V220-T222 WeakPolarHBondContact CG1-O 3.34Å; V220-T222 PolarHBondContact O-N 3.31Å |
| 223 | P | 74.7 | Confident | 71.3 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.045 | 38% | 0.375 | C | S | . | . | S | Bend | cis | -72.5 | 160.4 | -1.6 | 22.2 | -23.2 | 0 | 0 | 0 | 114.6 | F193 R282 L283 M284 | F193-P223 HydrophobicContact CE1-CG 3.69Å; F193-P223 HydrophobicContact CE2-CG 4.15Å; F193-P223 HydrophobicContact CZ-CG 3.31Å; P223-R282 HydrophobicContact CB-CB 3.92Å; P223-R282 HydrophobicContact CG-CB 3.71Å; P223-R282 HydrophobicContact CG-CG 4.41Å; P223-L283 WeakPolarHBondContact CB-O 3.24Å; P223-M284 HydrophobicContact CB-CB 4.44Å; P223-M284 HydrophobicContact CB-CG 3.78Å; P223-M284 HydrophobicContact CG-CG 4.02Å |
| 224 | V | 81 | Confident | 71.5 | Confident | 64 Ų | 64 | 67 Ų | 67 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 128.9 | -170.8 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | R282 L283 | V224-R282 CarbonylContact O-C 3.48Å; V224-R282 VanDerWaalsContact O-CA 3.3Å; V224-R282 WeakPolarHBondContact O-CA 3.46Å; V224-L283 PolarHBondContact N-O 3.42Å; V224-L283 VanDerWaalsContact N-O 3.11Å; V224-L283 PolarHBondContact O-N 3.04Å |
| 225 | A | 84 | Confident | 72.4 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 131.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | C280 I281 | A225-C280 HydrophobicContact CB-CB 3.73Å; A225-I281 CarbonylContact C-O 3.48Å; A225-I281 VanDerWaalsContact CA-O 3.29Å; A225-I281 WeakPolarHBondContact CA-O 3.39Å |
| 226 | V | 83.6 | Confident | 73.8 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 126 | 169.7 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | L209 I228 F256 I281 L283 L302 | L209-V226 HydrophobicContact CD2-CG2 4.01Å; V226-I228 HydrophobicContact CG1-CD1 4.07Å; V226-I228 HydrophobicContact CG1-CG1 4.36Å; V226-I228 PolarHBondContact O-N 3.43Å; V226-F256 HydrophobicContact CB-CE1 4.5Å; V226-F256 HydrophobicContact CB-CZ 4.34Å; V226-F256 HydrophobicContact CG1-CD1 4.1Å; V226-F256 HydrophobicContact CG1-CE1 3.43Å; V226-F256 VanDerWaalsContact CG1-CE1 3.43Å; V226-F256 HydrophobicContact CG1-CZ 3.71Å; V226-F256 HydrophobicContact CG2-CE1 4.25Å; V226-F256 HydrophobicContact CG2-CE2 4.2Å; V226-F256 HydrophobicContact CG2-CZ 3.62Å; V226-I281 HydrophobicContact CB-CB 4.07Å; V226-I281 HydrophobicContact CB-CG2 4.12Å; V226-I281 HydrophobicContact CG2-CB 4.21Å; V226-I281 HydrophobicContact CG2-CG2 3.71Å; V226-I281 PolarHBondContact N-O 2.91Å; V226-L283 HydrophobicContact CG2-CB 4.19Å; V226-L302 HydrophobicContact CG1-CD1 4.08Å |
| 227 | P | 77.3 | Confident | 75.5 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 62% | 0.617 | 34% | 0.339 | S | S | * | . | trans | -77.4 | 89.5 | -174.9 | 30.9 | -34.2 | 0 | 0 | 0 | 110.9 | L302 | P227-L302 HydrophobicContact CG-CD1 4.37Å; P227-L302 WeakPolarHBondContact O-CD2 3.32Å | ||
| 228 | I | 78.4 | Confident | 77.4 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.159 | 33% | 0.332 | C | S | . | . | trans | -92.6 | 140.3 | 167.2 | -55.7 | -58.7 | 0 | 0 | 0 | 108.2 | V226 E230 V246 A248 Y254 I281 L302 | V226-I228 HydrophobicContact CG1-CD1 4.07Å; V226-I228 HydrophobicContact CG1-CG1 4.36Å; V226-I228 PolarHBondContact O-N 3.43Å; I228-E230 PolarHBondContact O-N 3.09Å; I228-V246 HydrophobicContact CD1-CB 4.2Å; I228-V246 HydrophobicContact CD1-CG1 3.72Å; I228-V246 HydrophobicContact CG1-CG1 4.12Å; I228-A248 HydrophobicContact CG2-CB 4.21Å; I228-Y254 HydrophobicContact CD1-CD1 4.4Å; I228-Y254 HydrophobicContact CD1-CD2 3.66Å; I228-Y254 HydrophobicContact CD1-CE2 4.3Å; I228-Y254 HydrophobicContact CD1-CG 3.7Å; I228-Y254 HydrophobicContact CG2-CD2 4.22Å; I228-Y254 HydrophobicContact CG2-CE2 3.82Å; I228-I281 HydrophobicContact CG1-CD1 4.18Å; I228-L302 HydrophobicContact CD1-CD1 4.41Å; I228-L302 HydrophobicContact CD1-CD2 4.39Å | ||
| 229 | P | 77.6 | Confident | 79 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | trans | -57.8 | 135.8 | 177.8 | -22.3 | 32.9 | 0 | 0 | 0 | 111.8 | E231 Y232 Y254 | P229-E231 WeakPolarHBondContact CB-OE2 3.27Å; P229-E231 PolarHBondContact O-N 3.22Å; P229-Y232 HydrophobicContact CB-CD2 4Å; P229-Y232 HydrophobicContact CB-CE2 4.35Å; P229-Y232 HydrophobicContact CG-CD2 4.29Å; P229-Y232 PolarHBondContact O-N 3.02Å; P229-Y254 VanDerWaalsContact CD-CZ 3.47Å; P229-Y254 VanDerWaalsContact CD-OH 3.3Å; P229-Y254 WeakPolarHBondContact CD-OH 3.18Å; P229-Y254 HydrophobicContact CG-CE1 4.13Å; P229-Y254 WeakPolarHBondContact CG-OH 3.21Å | ||
| 230 | E | 72.7 | Confident | 80.7 | Confident | 117 Ų | 117 | 51.8 Ų | 51.8 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -27.9 | -171.6 | -66.8 | 178.1 | -169.3 | 0 | 0 | 114.2 | I228 Y232 N276 | I228-E230 PolarHBondContact O-N 3.09Å; E230-Y232 PolarHBondContact O-N 3.46Å; E230-N276 WeakPolarHBondContact CG-O 3.38Å; E230-N276 WeakPolarHBondContact OE1-CA 3.41Å; E230-N276 VanDerWaalsContact OE1-CB 3.32Å; E230-N276 WeakPolarHBondContact OE1-CB 3.18Å; E230-N276 PolarHBondContact OE1-N 3.29Å |
| 231 | E | 78.6 | Confident | 82.1 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.6 | -179.6 | 73.5 | -87.3 | -158.9 | 0 | 0 | 114.2 | P229 | P229-E231 WeakPolarHBondContact CB-OE2 3.27Å; P229-E231 PolarHBondContact O-N 3.22Å |
| 232 | Y | 83.3 | Confident | 83.4 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | trans | -121.9 | 129.5 | 177.9 | -53.9 | -67.6 | 0 | 0 | 0 | 111.1 | P229 E230 E249 R250 N252 Y254 K304 | P229-Y232 HydrophobicContact CB-CD2 4Å; P229-Y232 HydrophobicContact CB-CE2 4.35Å; P229-Y232 HydrophobicContact CG-CD2 4.29Å; P229-Y232 PolarHBondContact O-N 3.02Å; E230-Y232 PolarHBondContact O-N 3.46Å; Y232-E249 VanDerWaalsContact CD1-O 3.29Å; Y232-E249 WeakPolarHBondContact CD1-O 3.27Å; Y232-R250 HydrophobicContact CD1-CB 4.44Å; Y232-R250 HydrophobicContact CD1-CG 4.16Å; Y232-R250 HydrophobicContact CE1-CB 4.11Å; Y232-R250 HydrophobicContact CE1-CG 3.94Å; Y232-N252 VanDerWaalsContact CD1-ND2 3.28Å; Y232-N252 WeakPolarHBondContact CD1-ND2 3.33Å; Y232-N252 WeakPolarHBondContact CE1-ND2 3.22Å; Y232-Y254 WeakPolarHBondContact CD2-OH 3.18Å; Y232-K304 VanDerWaalsContact CE2-NZ 3.29Å | ||
| 233 | R | 84.7 | Confident | 84.2 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 31% | 0.306 | 28% | 0.282 | S | S | . | . | trans | -86.7 | 138.8 | 167.3 | 178 | 176 | 157.3 | -177.4 | -5.1 | 111.1 | P214 A248 E249 | P214-R233 VanDerWaalsContact CB-NH1 3.3Å; R233-A248 CarbonylContact O-C 3.49Å; R233-A248 WeakPolarHBondContact O-CA 3.38Å; R233-A248 WeakPolarHBondContact O-CB 3.31Å; R233-E249 HydrophobicContact CB-CG 4.06Å; R233-E249 PolarHBondContact O-N 3.02Å | ||
| 234 | A | 89.2 | Confident | 84.9 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L211 V246 I281 | L211-A234 HydrophobicContact CD1-CB 3.54Å; A234-V246 HydrophobicContact CB-CG1 4.12Å; A234-I281 HydrophobicContact CB-CD1 3.24Å; A234-I281 HydrophobicContact CB-CG1 3.55Å |
| 235 | V | 89.9 | Confident | 85.3 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 44% | 0.436 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -26.8 | -177.6 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | L247 E249 | V235-L247 HydrophobicContact CG2-CB 4.07Å; V235-L247 HydrophobicContact CG2-CD2 3.86Å; V235-L247 HydrophobicContact CG2-CG 3.64Å; V235-L247 VanDerWaalsContact CG2-O 3.27Å; V235-L247 WeakPolarHBondContact CG2-O 3.29Å; V235-L247 PolarHBondContact N-O 3.3Å; V235-E249 HydrophobicContact CG1-CG 3.85Å |
| 236 | A | 91.3 | Very high | 85.7 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 155.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L247 | A236-L247 HydrophobicContact CB-CB 4.11Å; A236-L247 HydrophobicContact CB-CD2 4.5Å; A236-L247 PolarHBondContact N-O 2.88Å; A236-L247 VanDerWaalsContact N-O 3.14Å; A236-L247 PolarHBondContact O-N 2.91Å |
| 237 | I | 93.2 | Very high | 86 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.8 | -179.3 | 51.9 | 169.1 | 0 | 0 | 0 | 109.8 | D200 A202 L209 L211 V246 I281 | D200-I237 HydrophobicContact CB-CD1 4.42Å; D200-I237 HydrophobicContact CB-CG1 4.41Å; A202-I237 HydrophobicContact CB-CB 4.11Å; A202-I237 HydrophobicContact CB-CD1 3.86Å; A202-I237 HydrophobicContact CB-CG1 3.83Å; L209-I237 HydrophobicContact CB-CB 4.38Å; L209-I237 HydrophobicContact CB-CD1 3.84Å; L209-I237 HydrophobicContact CD1-CB 4.17Å; L209-I237 HydrophobicContact CD1-CG2 4.34Å; L209-I237 WeakPolarHBondContact O-CD1 3.33Å; L211-I237 HydrophobicContact CB-CD1 3.84Å; L211-I237 HydrophobicContact CB-CG1 4.2Å; L211-I237 HydrophobicContact CB-CG2 4.37Å; I237-V246 HydrophobicContact CG2-CG2 4.35Å; I237-I281 HydrophobicContact CG2-CD1 3.88Å; I237-I281 HydrophobicContact CG2-CG1 3.98Å; I237-I281 HydrophobicContact CG2-CG2 4.28Å |
| 238 | A | 92.8 | Very high | 86.6 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 37% | 0.372 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L245 | A238-L245 HydrophobicContact CB-CB 4.26Å; A238-L245 PolarHBondContact N-O 3.21Å; A238-L245 PolarHBondContact O-N 2.83Å |
| 239 | C | 90.6 | Very high | 87 | Confident | 25 Ų | 25 | 46.9 Ų | 46.9 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.3 | 177.7 | -70.3 | 0 | 0 | 0 | 0 | 109.4 | A202 V203 G204 H243 S244 | A202-C239 HydrophobicContact CB-CB 4.4Å; A202-C239 PolarHBondContact O-SG 3.43Å; A202-C239 VanDerWaalsContact O-SG 3.37Å; V203-C239 VanDerWaalsContact C-CB 3.45Å; V203-C239 WeakPolarHBondContact O-CB 3.49Å; G204-C239 VanDerWaalsContact N-CB 3.34Å; C239-H243 WeakPolarHBondContact CA-O 3.28Å; C239-S244 PolarHBondContact SG-OG 3.27Å; C239-S244 VanDerWaalsContact SG-OG 3.4Å |
| 240 | G | 89.1 | Confident | 87.5 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | trans | -90.3 | -170.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G204 R242 H243 | G204-G240 WeakPolarHBondContact CA-O 3.47Å; G240-R242 VanDerWaalsContact C-N 3.31Å; G240-R242 PolarHBondContact O-N 3.32Å; G240-H243 PolarHBondContact N-O 3.11Å | ||
| 241 | S | 86.9 | Confident | 88.1 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -57.8 | -40.8 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 113.2 | G205 | G205-S241 WeakPolarHBondContact CA-O 3.41Å; G205-S241 PolarHBondContact N-O 2.91Å |
| 242 | R | 85 | Confident | 88.4 | Confident | 105 Ų | 105 | 46.9 Ų | 46.9 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -136.6 | 14.5 | -176.3 | -58.7 | -165.2 | -59.6 | -91 | 6.2 | 114.5 | W206 G240 C258 D260 | W206-R242 HydrophobicContact CE3-CG 4.28Å; W206-R242 HydrophobicContact CZ3-CG 3.64Å; G240-R242 VanDerWaalsContact C-N 3.31Å; G240-R242 PolarHBondContact O-N 3.32Å; R242-C258 HydrophobicContact CB-CB 3.59Å; R242-C258 VanDerWaalsContact O-CB 3.31Å; R242-C258 WeakPolarHBondContact O-CB 3.3Å; R242-C258 PolarHBondContact O-N 2.93Å; R242-D260 IonicContact NH2-OD2 2.85Å |
| 243 | H | 84.4 | Confident | 88.7 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.4 | 179.3 | 69.4 | -87.9 | 0 | 0 | 0 | 110.1 | C239 G240 F256 Q263 L264 | C239-H243 WeakPolarHBondContact CA-O 3.28Å; G240-H243 PolarHBondContact N-O 3.11Å; H243-F256 WeakPolarHBondContact CA-O 2.99Å; H243-Q263 HydrophobicContact CB-CG 4.5Å; H243-L264 HydrophobicContact CB-CD2 3.63Å |
| 244 | S | 88.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.7 | -175.6 | -85.7 | 0 | 0 | 0 | 0 | 109.9 | H207 C239 A255 F256 | H207-S244 PolarHBondContact CD2-OG 2.7Å; H207-S244 PolarHBondContact NE2-OG 2.92Å; C239-S244 PolarHBondContact SG-OG 3.27Å; C239-S244 VanDerWaalsContact SG-OG 3.4Å; S244-A255 VanDerWaalsContact O-CA 3.22Å; S244-A255 WeakPolarHBondContact O-CA 3.42Å; S244-F256 PolarHBondContact N-O 3.36Å; S244-F256 PolarHBondContact O-N 2.96Å |
| 245 | L | 91.1 | Very high | 88.7 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.8 | 178.9 | -56.1 | 177.9 | 0 | 0 | 0 | 108.7 | A238 L253 Y254 A255 | A238-L245 HydrophobicContact CB-CB 4.26Å; A238-L245 PolarHBondContact N-O 3.21Å; A238-L245 PolarHBondContact O-N 2.83Å; L245-L253 HydrophobicContact CB-CD1 4.28Å; L245-Y254 CarbonylContact C-O 3.57Å; L245-Y254 WeakPolarHBondContact CA-O 3.35Å; L245-A255 HydrophobicContact CD2-CB 3.45Å; L245-A255 VanDerWaalsContact CD2-CB 3.45Å |
| 246 | V | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 114.3 | 179.2 | 168.2 | 0 | 0 | 0 | 0 | 107.7 | L209 I228 A234 I237 L253 Y254 F256 I281 | L209-V246 HydrophobicContact CD1-CG2 4.4Å; I228-V246 HydrophobicContact CD1-CB 4.2Å; I228-V246 HydrophobicContact CD1-CG1 3.72Å; I228-V246 HydrophobicContact CG1-CG1 4.12Å; A234-V246 HydrophobicContact CB-CG1 4.12Å; I237-V246 HydrophobicContact CG2-CG2 4.35Å; V246-L253 CarbonylContact O-C 3.6Å; V246-L253 WeakPolarHBondContact O-CA 3.05Å; V246-Y254 PolarHBondContact N-O 3.44Å; V246-Y254 PolarHBondContact O-N 2.86Å; V246-F256 HydrophobicContact CG2-CE1 3.76Å; V246-F256 HydrophobicContact CG2-CZ 4.29Å; V246-I281 HydrophobicContact CB-CD1 3.89Å; V246-I281 HydrophobicContact CG1-CD1 3.15Å; V246-I281 HydrophobicContact CG2-CD1 3.43Å; V246-I281 VanDerWaalsContact CG2-CD1 3.43Å |
| 247 | L | 90.4 | Very high | 88.4 | Confident | 56 Ų | 56 | 41 Ų | 41 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.1 | 166.4 | -175.6 | 64.8 | 0 | 0 | 0 | 108 | V235 A236 | V235-L247 HydrophobicContact CG2-CB 4.07Å; V235-L247 HydrophobicContact CG2-CD2 3.86Å; V235-L247 HydrophobicContact CG2-CG 3.64Å; V235-L247 VanDerWaalsContact CG2-O 3.27Å; V235-L247 WeakPolarHBondContact CG2-O 3.29Å; V235-L247 PolarHBondContact N-O 3.3Å; A236-L247 HydrophobicContact CB-CB 4.11Å; A236-L247 HydrophobicContact CB-CD2 4.5Å; A236-L247 PolarHBondContact N-O 2.88Å; A236-L247 VanDerWaalsContact N-O 3.14Å; A236-L247 PolarHBondContact O-N 2.91Å |
| 248 | A | 89 | Confident | 88 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 167.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I228 R233 N251 N252 Y254 | I228-A248 HydrophobicContact CG2-CB 4.21Å; R233-A248 CarbonylContact O-C 3.49Å; R233-A248 WeakPolarHBondContact O-CA 3.38Å; R233-A248 WeakPolarHBondContact O-CB 3.31Å; A248-N251 PolarHBondContact O-N 3.48Å; A248-N252 HydrophobicContact CB-CB 4.44Å; A248-N252 PolarHBondContact N-O 3.5Å; A248-N252 PolarHBondContact O-N 2.76Å; A248-Y254 HydrophobicContact CB-CD2 4.08Å; A248-Y254 HydrophobicContact CB-CE2 3.73Å |
| 249 | E | 88.2 | Confident | 87.6 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 155.3 | 176.7 | -74.7 | 179.7 | 164.5 | 0 | 0 | 112.9 | Y232 R233 V235 N251 N252 | Y232-E249 VanDerWaalsContact CD1-O 3.29Å; Y232-E249 WeakPolarHBondContact CD1-O 3.27Å; R233-E249 HydrophobicContact CB-CG 4.06Å; R233-E249 PolarHBondContact O-N 3.02Å; V235-E249 HydrophobicContact CG1-CG 3.85Å; E249-N251 PolarHBondContact O-N 3.35Å; E249-N252 PolarHBondContact O-ND2 2.96Å |
| 250 | R | 87.6 | Confident | 87.2 | Confident | 160 Ų | 160 | 47 Ų | 47 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 31.3 | -174.1 | -39 | -166 | -168.5 | 150.5 | -7 | 113.4 | Y232 N252 | Y232-R250 HydrophobicContact CD1-CB 4.44Å; Y232-R250 HydrophobicContact CD1-CG 4.16Å; Y232-R250 HydrophobicContact CE1-CB 4.11Å; Y232-R250 HydrophobicContact CE1-CG 3.94Å; R250-N252 VanDerWaalsContact C-N 3.25Å; R250-N252 PolarHBondContact O-N 2.74Å; R250-N252 PolarHBondContact O-ND2 3.34Å |
| 251 | N | 84.6 | Confident | 86.9 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 34.9 | 177.1 | -63 | -8.2 | 0 | 0 | 0 | 113.3 | A248 E249 R306 C307 | A248-N251 PolarHBondContact O-N 3.48Å; E249-N251 PolarHBondContact O-N 3.35Å; N251-R306 WeakPolarHBondContact O-CA 3.28Å; N251-C307 HydrophobicContact CB-CB 4.22Å; N251-C307 PolarHBondContact O-N 2.72Å |
| 252 | N | 85.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.4 | 176.3 | -65.4 | -73.4 | 0 | 0 | 0 | 109.1 | Y232 A248 E249 R250 Y254 K304 A305 | Y232-N252 VanDerWaalsContact CD1-ND2 3.28Å; Y232-N252 WeakPolarHBondContact CD1-ND2 3.33Å; Y232-N252 WeakPolarHBondContact CE1-ND2 3.22Å; A248-N252 HydrophobicContact CB-CB 4.44Å; A248-N252 PolarHBondContact N-O 3.5Å; A248-N252 PolarHBondContact O-N 2.76Å; E249-N252 PolarHBondContact O-ND2 2.96Å; R250-N252 VanDerWaalsContact C-N 3.25Å; R250-N252 PolarHBondContact O-N 2.74Å; R250-N252 PolarHBondContact O-ND2 3.34Å; N252-Y254 HydrophobicContact CB-CE2 3.73Å; N252-K304 VanDerWaalsContact CG-CE 3.46Å; N252-K304 WeakPolarHBondContact OD1-CE 3.47Å; N252-K304 PolarHBondContact OD1-NZ 2.82Å; N252-K304 VanDerWaalsContact OD1-NZ 3.16Å; N252-A305 CarbonylContact C-O 3.53Å; N252-A305 WeakPolarHBondContact CA-O 3.32Å |
| 253 | L | 88.8 | Confident | 86.7 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.2 | 174.6 | -178 | 63.2 | 0 | 0 | 0 | 109 | L245 V246 F266 K304 A305 | L245-L253 HydrophobicContact CB-CD1 4.28Å; V246-L253 CarbonylContact O-C 3.6Å; V246-L253 WeakPolarHBondContact O-CA 3.05Å; L253-F266 HydrophobicContact CD2-CE1 4.11Å; L253-F266 HydrophobicContact CD2-CZ 4.5Å; L253-F266 HydrophobicContact CG-CE1 4.44Å; L253-F266 HydrophobicContact CG-CZ 4.48Å; L253-K304 CarbonylContact O-C 3.42Å; L253-K304 VanDerWaalsContact O-CA 3.25Å; L253-K304 WeakPolarHBondContact O-CA 3.17Å; L253-A305 PolarHBondContact N-O 3.49Å; L253-A305 PolarHBondContact O-N 3.02Å |
| 254 | Y | 87.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.4 | 173.1 | -60.8 | -86.8 | 0 | 0 | 0 | 109.4 | I228 P229 Y232 L245 V246 A248 N252 L302 A303 K304 | I228-Y254 HydrophobicContact CD1-CD1 4.4Å; I228-Y254 HydrophobicContact CD1-CD2 3.66Å; I228-Y254 HydrophobicContact CD1-CE2 4.3Å; I228-Y254 HydrophobicContact CD1-CG 3.7Å; I228-Y254 HydrophobicContact CG2-CD2 4.22Å; I228-Y254 HydrophobicContact CG2-CE2 3.82Å; P229-Y254 VanDerWaalsContact CD-CZ 3.47Å; P229-Y254 VanDerWaalsContact CD-OH 3.3Å; P229-Y254 WeakPolarHBondContact CD-OH 3.18Å; P229-Y254 HydrophobicContact CG-CE1 4.13Å; P229-Y254 WeakPolarHBondContact CG-OH 3.21Å; Y232-Y254 WeakPolarHBondContact CD2-OH 3.18Å; L245-Y254 CarbonylContact C-O 3.57Å; L245-Y254 WeakPolarHBondContact CA-O 3.35Å; V246-Y254 PolarHBondContact N-O 3.44Å; V246-Y254 PolarHBondContact O-N 2.86Å; A248-Y254 HydrophobicContact CB-CD2 4.08Å; A248-Y254 HydrophobicContact CB-CE2 3.73Å; N252-Y254 HydrophobicContact CB-CE2 3.73Å; Y254-L302 HydrophobicContact CD1-CD2 3.17Å; Y254-L302 HydrophobicContact CD1-CG 3.92Å; Y254-L302 HydrophobicContact CE1-CD2 3.7Å; Y254-L302 HydrophobicContact CG-CD2 3.92Å; Y254-L302 HydrophobicContact CG-CG 4.44Å; Y254-A303 CarbonylContact C-O 3.58Å; Y254-A303 VanDerWaalsContact CA-O 3.29Å; Y254-A303 WeakPolarHBondContact CA-O 3Å; Y254-K304 HydrophobicContact CD1-CB 3.91Å; Y254-K304 HydrophobicContact CD1-CG 4.15Å; Y254-K304 HydrophobicContact CE1-CB 3.79Å; Y254-K304 HydrophobicContact CE1-CD 3.72Å; Y254-K304 HydrophobicContact CE1-CG 3.7Å; Y254-K304 PolarHBondContact OH-NZ 3.48Å |
| 255 | A | 87.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S244 L245 L264 F266 A303 | S244-A255 VanDerWaalsContact O-CA 3.22Å; S244-A255 WeakPolarHBondContact O-CA 3.42Å; L245-A255 HydrophobicContact CD2-CB 3.45Å; L245-A255 VanDerWaalsContact CD2-CB 3.45Å; A255-L264 HydrophobicContact CB-CB 4.28Å; A255-L264 HydrophobicContact CB-CD2 3.59Å; A255-L264 HydrophobicContact CB-CG 4.33Å; A255-F266 HydrophobicContact CB-CE2 3.61Å; A255-F266 HydrophobicContact CB-CZ 3.6Å; A255-A303 PolarHBondContact N-O 3.16Å; A255-A303 PolarHBondContact O-N 2.97Å; A255-A303 VanDerWaalsContact O-N 3.09Å |
| 256 | F | 88.1 | Confident | 84.1 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 160 | 177.6 | 51.1 | -85.8 | 0 | 0 | 0 | 110.5 | L209 V226 H243 S244 V246 L302 | L209-F256 HydrophobicContact CD1-CZ 4.18Å; L209-F256 HydrophobicContact CD2-CE2 4.19Å; L209-F256 HydrophobicContact CD2-CZ 3.83Å; V226-F256 HydrophobicContact CB-CE1 4.5Å; V226-F256 HydrophobicContact CB-CZ 4.34Å; V226-F256 HydrophobicContact CG1-CD1 4.1Å; V226-F256 HydrophobicContact CG1-CE1 3.43Å; V226-F256 VanDerWaalsContact CG1-CE1 3.43Å; V226-F256 HydrophobicContact CG1-CZ 3.71Å; V226-F256 HydrophobicContact CG2-CE1 4.25Å; V226-F256 HydrophobicContact CG2-CE2 4.2Å; V226-F256 HydrophobicContact CG2-CZ 3.62Å; H243-F256 WeakPolarHBondContact CA-O 2.99Å; S244-F256 PolarHBondContact N-O 3.36Å; S244-F256 PolarHBondContact O-N 2.96Å; V246-F256 HydrophobicContact CG2-CE1 3.76Å; V246-F256 HydrophobicContact CG2-CZ 4.29Å; F256-L302 HydrophobicContact CD1-CD1 3.96Å |
| 257 | G | 86.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.9 | -155.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N259 L264 | G257-N259 PolarHBondContact O-N 2.91Å; G257-L264 WeakPolarHBondContact O-CD1 3.29Å |
| 258 | C | 83.5 | Confident | 80.2 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 14% | 0.142 | 34% | 0.344 | C | S | . | . | trans | -60.4 | 132.5 | -178.1 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | R242 D260 Q263 | R242-C258 HydrophobicContact CB-CB 3.59Å; R242-C258 VanDerWaalsContact O-CB 3.31Å; R242-C258 WeakPolarHBondContact O-CB 3.3Å; R242-C258 PolarHBondContact O-N 2.93Å; C258-D260 PolarHBondContact SG-OD2 3.13Å; C258-Q263 VanDerWaalsContact O-CG 3.23Å; C258-Q263 WeakPolarHBondContact O-CG 3.38Å; C258-Q263 PolarHBondContact O-NE2 2.96Å; C258-Q263 PolarHBondContact SG-NE2 2.98Å | ||
| 259 | N | 85.5 | Confident | 77.9 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | trans | -124.4 | 19.9 | 174.2 | -163.2 | 28.4 | 0 | 0 | 0 | 113.4 | G257 Y261 G262 Q263 L264 | G257-N259 PolarHBondContact O-N 2.91Å; N259-Y261 PolarHBondContact O-N 2.95Å; N259-G262 PolarHBondContact O-N 3.02Å; N259-G262 VanDerWaalsContact O-N 3.08Å; N259-G262 VanDerWaalsContact OD1-C 3.28Å; N259-G262 VanDerWaalsContact OD1-CA 3.27Å; N259-G262 WeakPolarHBondContact OD1-CA 3.21Å; N259-Q263 VanDerWaalsContact CA-NE2 3.29Å; N259-Q263 PolarHBondContact OD1-N 2.72Å; N259-L264 HydrophobicContact CB-CB 4.18Å; N259-L264 HydrophobicContact CB-CD1 4.03Å; N259-L264 HydrophobicContact CB-CG 4.01Å; N259-L264 WeakPolarHBondContact OD1-CA 3.48Å; N259-L264 WeakPolarHBondContact OD1-CB 3.39Å; N259-L264 PolarHBondContact OD1-N 2.73Å | ||
| 260 | D | 81.3 | Confident | 75.6 | Confident | 120 Ų | 120 | 67.7 Ų | 67.7 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.7 | -171.2 | -55.6 | -20.1 | 0 | 0 | 0 | 114.5 | R242 C258 Q263 | R242-D260 IonicContact NH2-OD2 2.85Å; C258-D260 PolarHBondContact SG-OD2 3.13Å; D260-Q263 VanDerWaalsContact N-NE2 3.2Å |
| 261 | Y | 84.2 | Confident | 73.3 | Confident | 195 Ų | 195 | 63.8 Ų | 63.8 | 77% | 0.765 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | 17.3 | 179.5 | -52.2 | -88.3 | 0 | 0 | 0 | 113.1 | N259 Q263 | N259-Y261 PolarHBondContact O-N 2.95Å; Y261-Q263 VanDerWaalsContact C-N 3.31Å; Y261-Q263 VanDerWaalsContact CA-OE1 3.3Å; Y261-Q263 PolarHBondContact O-N 3.32Å |
| 262 | G | 82.8 | Confident | 71.1 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 75.5 | 15.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N259 L264 D265 | N259-G262 PolarHBondContact O-N 3.02Å; N259-G262 VanDerWaalsContact O-N 3.08Å; N259-G262 VanDerWaalsContact OD1-C 3.28Å; N259-G262 VanDerWaalsContact OD1-CA 3.27Å; N259-G262 WeakPolarHBondContact OD1-CA 3.21Å; G262-L264 PolarHBondContact O-N 2.83Å; G262-L264 VanDerWaalsContact O-N 3.12Å; G262-D265 VanDerWaalsContact O-CB 3.22Å; G262-D265 WeakPolarHBondContact O-CB 3.46Å; G262-D265 PolarHBondContact O-N 2.87Å |
| 263 | Q | 83.5 | Confident | 68.7 | Low | 60 Ų | 60 | 75.4 Ų | 75.4 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19 | 175.4 | 54.2 | -90.6 | 10.4 | 0 | 0 | 114.5 | H243 C258 N259 D260 Y261 | H243-Q263 HydrophobicContact CB-CG 4.5Å; C258-Q263 VanDerWaalsContact O-CG 3.23Å; C258-Q263 WeakPolarHBondContact O-CG 3.38Å; C258-Q263 PolarHBondContact O-NE2 2.96Å; C258-Q263 PolarHBondContact SG-NE2 2.98Å; N259-Q263 VanDerWaalsContact CA-NE2 3.29Å; N259-Q263 PolarHBondContact OD1-N 2.72Å; D260-Q263 VanDerWaalsContact N-NE2 3.2Å; Y261-Q263 VanDerWaalsContact C-N 3.31Å; Y261-Q263 VanDerWaalsContact CA-OE1 3.3Å; Y261-Q263 PolarHBondContact O-N 3.32Å |
| 264 | L | 79.9 | Confident | 66.4 | Low | 10 Ų | 10 | 83 Ų | 83 | 5% | 0.052 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 9.8 | 172.7 | -42.7 | -175.8 | 0 | 0 | 0 | 111.9 | H243 A255 G257 N259 G262 F266 | H243-L264 HydrophobicContact CB-CD2 3.63Å; A255-L264 HydrophobicContact CB-CB 4.28Å; A255-L264 HydrophobicContact CB-CD2 3.59Å; A255-L264 HydrophobicContact CB-CG 4.33Å; G257-L264 WeakPolarHBondContact O-CD1 3.29Å; N259-L264 HydrophobicContact CB-CB 4.18Å; N259-L264 HydrophobicContact CB-CD1 4.03Å; N259-L264 HydrophobicContact CB-CG 4.01Å; N259-L264 WeakPolarHBondContact OD1-CA 3.48Å; N259-L264 WeakPolarHBondContact OD1-CB 3.39Å; N259-L264 PolarHBondContact OD1-N 2.73Å; G262-L264 PolarHBondContact O-N 2.83Å; G262-L264 VanDerWaalsContact O-N 3.12Å; L264-F266 WeakPolarHBondContact O-CD2 3.5Å; L264-F266 WeakPolarHBondContact O-CE2 3.37Å; L264-F266 PolarHBondContact O-N 3.14Å |
| 265 | D | 68.1 | Low | 63.8 | Low | 110 Ų | 110 | 91.4 Ų | 91.4 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | trans | -68.3 | 102.1 | -172.4 | -167.4 | 11.4 | 0 | 0 | 0 | 110.8 | G262 | G262-D265 VanDerWaalsContact O-CB 3.22Å; G262-D265 WeakPolarHBondContact O-CB 3.46Å; G262-D265 PolarHBondContact O-N 2.87Å | ||
| 266 | F | 62.6 | Low | 61.4 | Low | 44 Ų | 44 | 97.5 Ų | 97.5 | 19% | 0.193 | 52% | 0.521 | C | S | . | . | trans | -101.1 | 81.7 | 168.9 | -54.4 | -74 | 0 | 0 | 0 | 107.5 | L253 A255 L264 S268 C269 A303 A305 | L253-F266 HydrophobicContact CD2-CE1 4.11Å; L253-F266 HydrophobicContact CD2-CZ 4.5Å; L253-F266 HydrophobicContact CG-CE1 4.44Å; L253-F266 HydrophobicContact CG-CZ 4.48Å; A255-F266 HydrophobicContact CB-CE2 3.61Å; A255-F266 HydrophobicContact CB-CZ 3.6Å; L264-F266 WeakPolarHBondContact O-CD2 3.5Å; L264-F266 WeakPolarHBondContact O-CE2 3.37Å; L264-F266 PolarHBondContact O-N 3.14Å; F266-S268 PolarHBondContact O-N 3.43Å; F266-C269 HydrophobicContact CB-CB 4.25Å; F266-C269 PolarHBondContact O-N 3.09Å; F266-A303 HydrophobicContact CD2-CB 3.3Å; F266-A303 HydrophobicContact CE2-CB 3.53Å; F266-A303 WeakPolarHBondContact CE2-O 3.15Å; F266-A303 HydrophobicContact CG-CB 4.47Å; F266-A305 HydrophobicContact CB-CB 4.46Å; F266-A305 HydrophobicContact CD1-CB 3.18Å; F266-A305 HydrophobicContact CE1-CB 3.46Å; F266-A305 VanDerWaalsContact CE1-CB 3.46Å; F266-A305 HydrophobicContact CG-CB 4Å; F266-A305 HydrophobicContact CZ-CB 4.46Å | ||
| 267 | S | 53.5 | Low | 58.9 | Low | 113 Ų | 113 | 102 Ų | 102 | 79% | 0.79 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 20.4 | -177.3 | 62.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 268 | S | 44.2 | Very low | 56.5 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.3 | 4.7 | -179 | 64.7 | 0 | 0 | 0 | 0 | 117.1 | F266 | F266-S268 PolarHBondContact O-N 3.43Š|
| 269 | C | 42.7 | Very low | 54.5 | Low | 53 Ų | 53 | 106.6 Ų | 106.6 | 36% | 0.358 | 55% | 0.55 | S | S | . | . | trans | -125.2 | 131.4 | -161.6 | -67.3 | 0 | 0 | 0 | 0 | 118 | F266 K304 | F266-C269 HydrophobicContact CB-CB 4.25Å; F266-C269 PolarHBondContact O-N 3.09Å; C269-K304 WeakPolarHBondContact CB-O 3.43Å; C269-K304 PolarHBondContact SG-O 3.1Å | ||
| 270 | T | 37.9 | Very low | 52.5 | Low | 122 Ų | 122 | 104.6 Ų | 104.6 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | -77.7 | 131.6 | 177.5 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 271 | V | 39.8 | Very low | 51.2 | Low | 77 Ų | 77 | 99 Ų | 99 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | trans | -87.1 | 129.5 | 172.3 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 272 | K | 38.7 | Very low | 50 | Low | 199 Ų | 199 | 90.1 Ų | 90.1 | 87% | 0.865 | 48% | 0.476 | S | S | * | . | trans | -118.4 | 137.6 | 163.3 | -71.7 | -172.5 | 176.6 | -174.8 | 0 | 108.8 | ||||
| 273 | K | 34.8 | Very low | 49 | Very low | 139 Ų | 139 | 89 Ų | 89 | 60% | 0.604 | 46% | 0.462 | S | S | * | . | trans | -113.7 | 114.3 | 177.6 | -74.7 | -177.2 | -179.3 | -179.9 | 0 | 109.8 | S299 | K273-S299 WeakPolarHBondContact CE-O 3.46Å; K273-S299 VanDerWaalsContact NZ-CB 3.33Å; K273-S299 PolarHBondContact NZ-O 2.95Å; K273-S299 PolarHBondContact NZ-OG 3.23Å | ||
| 274 | E | 41 | Very low | 47.8 | Very low | 196 Ų | 196 | 86.3 Ų | 86.3 | 92% | 0.916 | 45% | 0.449 | S | S | * | . | trans | -145.7 | 160.8 | 167.4 | -68.4 | -169.3 | 166.3 | 0 | 0 | 111.5 | ||||
| 275 | K | 34.4 | Very low | 46.4 | Very low | 181 Ų | 181 | 88.5 Ų | 88.5 | 79% | 0.787 | 46% | 0.463 | S | S | * | . | trans | -115.9 | 140.6 | -156.5 | -76.1 | -179.5 | 170.3 | -177.3 | 0 | 114.1 | ||||
| 276 | N | 36.9 | Very low | 45 | Very low | 127 Ų | 127 | 84 Ų | 84 | 68% | 0.679 | 44% | 0.441 | S | S | * | . | trans | 124.5 | -177 | 147 | -63.1 | -24.6 | 0 | 0 | 0 | 115.7 | E230 | E230-N276 WeakPolarHBondContact CG-O 3.38Å; E230-N276 WeakPolarHBondContact OE1-CA 3.41Å; E230-N276 VanDerWaalsContact OE1-CB 3.32Å; E230-N276 WeakPolarHBondContact OE1-CB 3.18Å; E230-N276 PolarHBondContact OE1-N 3.29Å | ||
| 277 | E | 33.8 | Very low | 43.9 | Very low | 116 Ų | 116 | 87.3 Ų | 87.3 | 54% | 0.542 | 46% | 0.46 | S | S | . | . | trans | -96.2 | 140.9 | -133.9 | -61.3 | 170.4 | 151 | 0 | 0 | 115.7 | V219 | V219-E277 HydrophobicContact CG2-CB 4.31Å; V219-E277 HydrophobicContact CG2-CG 3.94Å | ||
| 278 | H | 36.7 | Very low | 43.2 | Very low | 123 Ų | 123 | 86 Ų | 86 | 57% | 0.569 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 151.2 | 149.8 | 140.4 | -66.7 | -31.6 | 0 | 0 | 0 | 112.6 | S217 | S217-H278 VanDerWaalsContact CB-ND1 3.28Å; S217-H278 WeakPolarHBondContact CB-ND1 3.44Å |
| 279 | D | 41.7 | Very low | 42.8 | Very low | 44 Ų | 44 | 87.4 Ų | 87.4 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | S | Bend | trans | 45.7 | 82.5 | -169.1 | -76.7 | -1.4 | 0 | 0 | 0 | 115.9 | P214 | P214-D279 VanDerWaalsContact CA-OD2 3.32Å; P214-D279 WeakPolarHBondContact CA-OD2 3.11Å |
| 280 | C | 44.5 | Very low | 42.1 | Very low | 29 Ų | 29 | 94.3 Ų | 94.3 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | trans | -99.5 | 130.7 | -171.1 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | T212 A225 R282 | T212-C280 WeakPolarHBondContact CG2-O 3.43Å; T212-C280 PolarHBondContact OG1-O 3.12Å; A225-C280 HydrophobicContact CB-CB 3.73Å; C280-R282 HydrophobicContact CB-CG 4.4Å; C280-R282 PolarHBondContact O-N 3.3Å | ||
| 281 | I | 52.8 | Low | 41.7 | Very low | 3 Ų | 3 | 100.4 Ų | 100.4 | 2% | 0.015 | 49% | 0.488 | C | S | . | . | trans | -67.5 | 131.2 | 154 | -68 | 157.2 | 0 | 0 | 0 | 107.3 | L209 A210 L211 A225 V226 I228 A234 I237 V246 | L209-I281 HydrophobicContact CB-CG2 4.22Å; L209-I281 HydrophobicContact CD2-CG2 3.88Å; L209-I281 HydrophobicContact CG-CG2 4.45Å; A210-I281 WeakPolarHBondContact O-CA 3.4Å; L211-I281 HydrophobicContact CD1-CG1 3.82Å; A225-I281 CarbonylContact C-O 3.48Å; A225-I281 VanDerWaalsContact CA-O 3.29Å; A225-I281 WeakPolarHBondContact CA-O 3.39Å; V226-I281 HydrophobicContact CB-CB 4.07Å; V226-I281 HydrophobicContact CB-CG2 4.12Å; V226-I281 HydrophobicContact CG2-CB 4.21Å; V226-I281 HydrophobicContact CG2-CG2 3.71Å; V226-I281 PolarHBondContact N-O 2.91Å; I228-I281 HydrophobicContact CG1-CD1 4.18Å; A234-I281 HydrophobicContact CB-CD1 3.24Å; A234-I281 HydrophobicContact CB-CG1 3.55Å; I237-I281 HydrophobicContact CG2-CD1 3.88Å; I237-I281 HydrophobicContact CG2-CG1 3.98Å; I237-I281 HydrophobicContact CG2-CG2 4.28Å; V246-I281 HydrophobicContact CB-CD1 3.89Å; V246-I281 HydrophobicContact CG1-CD1 3.15Å; V246-I281 HydrophobicContact CG2-CD1 3.43Å; V246-I281 VanDerWaalsContact CG2-CD1 3.43Å | ||
| 282 | R | 60.5 | Low | 41.2 | Very low | 8 Ų | 8 | 100.2 Ų | 100.2 | 3% | 0.03 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.6 | 176.3 | -53.1 | -161.6 | -174.5 | 105 | -8.7 | 110.5 | F193 L209 A210 K218 P223 V224 C280 | F193-R282 VanDerWaalsContact CD1-NH1 3.31Å; F193-R282 HydrophobicContact CE1-CB 4.38Å; F193-R282 HydrophobicContact CE1-CG 4.44Å; L209-R282 WeakPolarHBondContact CA-O 3.3Å; A210-R282 PolarHBondContact N-O 2.77Å; A210-R282 PolarHBondContact O-N 2.62Å; K218-R282 PolarHBondContact O-NH2 3.04Å; P223-R282 HydrophobicContact CB-CB 3.92Å; P223-R282 HydrophobicContact CG-CB 3.71Å; P223-R282 HydrophobicContact CG-CG 4.41Å; V224-R282 CarbonylContact O-C 3.48Å; V224-R282 VanDerWaalsContact O-CA 3.3Å; V224-R282 WeakPolarHBondContact O-CA 3.46Å; C280-R282 HydrophobicContact CB-CG 4.4Å; C280-R282 PolarHBondContact O-N 3.3Å |
| 283 | L | 60.4 | Low | 40.7 | Very low | 11 Ų | 11 | 101 Ų | 101 | 6% | 0.058 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117 | 170.8 | -176.1 | 74.4 | 0 | 0 | 0 | 108.4 | H207 T208 L209 P223 V224 V226 V285 F297 | H207-L283 HydrophobicContact CB-CD1 4.21Å; T208-L283 WeakPolarHBondContact O-CA 3.42Å; L209-L283 HydrophobicContact CD2-CB 4.07Å; L209-L283 HydrophobicContact CD2-CD1 3.47Å; L209-L283 VanDerWaalsContact CD2-CD1 3.47Å; L209-L283 HydrophobicContact CD2-CG 4.36Å; L209-L283 HydrophobicContact CG-CD1 4.37Å; P223-L283 WeakPolarHBondContact CB-O 3.24Å; V224-L283 PolarHBondContact N-O 3.42Å; V224-L283 VanDerWaalsContact N-O 3.11Å; V224-L283 PolarHBondContact O-N 3.04Å; V226-L283 HydrophobicContact CG2-CB 4.19Å; L283-V285 HydrophobicContact CD1-CG2 4.3Å; L283-V285 HydrophobicContact CD2-CG2 3.34Å; L283-V285 HydrophobicContact CG-CG2 3.45Å; L283-V285 VanDerWaalsContact CG-CG2 3.45Å; L283-V285 PolarHBondContact O-N 3.28Å; L283-F297 HydrophobicContact CD2-CE2 3.91Å; L283-F297 HydrophobicContact CD2-CZ 3.69Å |
| 284 | M | 59.9 | Low | 40.4 | Very low | 3 Ų | 3 | 104 Ų | 104 | 2% | 0.015 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 98.2 | 172.4 | -58.8 | -168.1 | -71.7 | 0 | 0 | 108.3 | M157 V165 L190 F193 T208 P223 | M157-M284 HydrophobicContact CE-CE 3.81Å; M157-M284 HydrophobicContact SD-CE 3.85Å; V165-M284 HydrophobicContact CG1-CE 4.32Å; L190-M284 HydrophobicContact CD2-CE 4.16Å; L190-M284 HydrophobicContact CD2-SD 3.21Å; L190-M284 WeakPolarHBondContact CD2-SD 3.04Å; F193-M284 HydrophobicContact CE2-SD 3.75Å; F193-M284 HydrophobicContact CZ-CG 4.46Å; F193-M284 HydrophobicContact CZ-SD 4.06Å; T208-M284 HydrophobicContact CG2-CE 3.24Å; T208-M284 PolarHBondContact O-N 3.26Å; P223-M284 HydrophobicContact CB-CB 4.44Å; P223-M284 HydrophobicContact CB-CG 3.78Å; P223-M284 HydrophobicContact CG-CG 4.02Å |
| 285 | V | 50.5 | Low | 39.7 | Very low | 56 Ų | 56 | 102.4 Ų | 102.4 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | trans | -126.9 | 137.4 | 165.9 | -161.8 | 0 | 0 | 0 | 0 | 106.7 | L283 | L283-V285 HydrophobicContact CD1-CG2 4.3Å; L283-V285 HydrophobicContact CD2-CG2 3.34Å; L283-V285 HydrophobicContact CG-CG2 3.45Å; L283-V285 VanDerWaalsContact CG-CG2 3.45Å; L283-V285 PolarHBondContact O-N 3.28Å | ||
| 286 | S | 38 | Very low | 39.6 | Very low | 17 Ų | 17 | 98.2 Ų | 98.2 | 12% | 0.119 | 50% | 0.502 | C | S | . | . | trans | -79.6 | 125.5 | 164.8 | 169.8 | 0 | 0 | 0 | 0 | 109.7 | G174 L181 S288 | G174-S286 PolarHBondContact O-N 2.78Å; L181-S286 VanDerWaalsContact CD2-OG 3.31Å; L181-S286 WeakPolarHBondContact CD2-OG 3.13Å; S286-S288 PolarHBondContact O-N 3.1Å | ||
| 287 | D | 39.8 | Very low | 39.6 | Very low | 112 Ų | 112 | 98.8 Ų | 98.8 | 60% | 0.599 | 50% | 0.499 | S | S | * | . | trans | -59.3 | 109.3 | 163.2 | -97.9 | -23 | 0 | 0 | 0 | 109.1 | V289 | D287-V289 PolarHBondContact O-N 3.37Š| ||
| 288 | S | 38.4 | Very low | 39.5 | Very low | 86 Ų | 86 | 96.1 Ų | 96.1 | 60% | 0.601 | 49% | 0.493 | S | S | * | . | trans | -68.7 | 118.4 | 170.4 | -60 | 0 | 0 | 0 | 0 | 108.8 | S286 K290 | S286-S288 PolarHBondContact O-N 3.1Å; S288-K290 PolarHBondContact O-N 3.04Å; S288-K290 VanDerWaalsContact O-N 3.09Å | ||
| 289 | V | 35.3 | Very low | 39.3 | Very low | 133 Ų | 133 | 94 Ų | 94 | 81% | 0.806 | 49% | 0.492 | S | S | * | . | trans | -49.3 | 112.9 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | D287 R291 | D287-V289 PolarHBondContact O-N 3.37Å; V289-R291 PolarHBondContact O-N 2.79Å | ||
| 290 | K | 28.5 | Very low | 39 | Very low | 198 Ų | 198 | 99.5 Ų | 99.5 | 86% | 0.861 | 52% | 0.516 | S | S | * | . | trans | 21.4 | 91.6 | 152.7 | -65.6 | -178.5 | 179.9 | 175.9 | 0 | 116.6 | S288 | S288-K290 PolarHBondContact O-N 3.04Å; S288-K290 VanDerWaalsContact O-N 3.09Å | ||
| 291 | R | 29.2 | Very low | 38.8 | Very low | 250 Ų | 250 | 101.3 Ų | 101.3 | 94% | 0.943 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -134.3 | 100.9 | 143.8 | -78.9 | -169.2 | 179.7 | -174.7 | 1.4 | 110 | V289 | V289-R291 PolarHBondContact O-N 2.79Š|
| 292 | G | 30.6 | Very low | 38.7 | Very low | 73 Ų | 73 | 103 Ų | 103 | 75% | 0.753 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 82.3 | 132.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K294 | G292-K294 PolarHBondContact O-N 3.3Š|
| 293 | K | 26.9 | Very low | 38.5 | Very low | 216 Ų | 216 | 103.6 Ų | 103.6 | 94% | 0.939 | 54% | 0.544 | S | S | * | . | trans | -49.9 | 100.1 | 178.6 | -68.1 | 173.2 | 173.8 | 179.4 | 0 | 111.7 | ||||
| 294 | K | 28.7 | Very low | 38 | Very low | 201 Ų | 201 | 105.4 Ų | 105.4 | 87% | 0.874 | 55% | 0.552 | S | S | * | * | trans | -140.8 | 120.7 | 151.7 | -78.3 | -166.1 | 174.3 | -175.5 | 0 | 107 | G292 | G292-K294 PolarHBondContact O-N 3.3Š| ||
| 295 | E | 26 | Very low | 37.5 | Very low | 164 Ų | 164 | 106 Ų | 106 | 77% | 0.766 | 56% | 0.557 | S | S | * | * | trans | -58.5 | 141.8 | 178.9 | -64.3 | -178.1 | 155.3 | 0 | 0 | 110.3 | F297 | E295-F297 PolarHBondContact O-N 2.99Š| ||
| 296 | P | 32.6 | Very low | 36.9 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 60% | 0.597 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -68.2 | 117.7 | 168.6 | 29.5 | -28.4 | 0 | 0 | 0 | 107 | ||
| 297 | F | 37.5 | Very low | 36.7 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | trans | 51.1 | 88.6 | -179.1 | -78.5 | -93.3 | 0 | 0 | 0 | 115.3 | L283 E295 S299 | L283-F297 HydrophobicContact CD2-CE2 3.91Å; L283-F297 HydrophobicContact CD2-CZ 3.69Å; E295-F297 PolarHBondContact O-N 2.99Å; F297-S299 PolarHBondContact O-N 2.81Å | ||
| 298 | S | 31.5 | Very low | 36.4 | Very low | 60 Ų | 60 | 117.6 Ų | 117.6 | 42% | 0.42 | 62% | 0.615 | S | S | . | * | trans | -56.9 | 136.4 | 148.5 | 54.6 | 0 | 0 | 0 | 0 | 107.3 | E300 | S298-E300 PolarHBondContact O-N 3.49Å; S298-E300 PolarHBondContact OG-OE2 2.7Å | ||
| 299 | S | 32.4 | Very low | 36.3 | Very low | 79 Ų | 79 | 119.2 Ų | 119.2 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | trans | -69.4 | 46.9 | -179.9 | 45.5 | 0 | 0 | 0 | 0 | 113 | K273 F297 S301 | K273-S299 WeakPolarHBondContact CE-O 3.46Å; K273-S299 VanDerWaalsContact NZ-CB 3.33Å; K273-S299 PolarHBondContact NZ-O 2.95Å; K273-S299 PolarHBondContact NZ-OG 3.23Å; F297-S299 PolarHBondContact O-N 2.81Å; S299-S301 PolarHBondContact O-N 3.42Å | ||
| 300 | E | 34.7 | Very low | 36.3 | Very low | 160 Ų | 160 | 118.4 Ų | 118.4 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | trans | -83.5 | 105.7 | 177.2 | -74 | -178.3 | 146.8 | 0 | 0 | 109.7 | S298 | S298-E300 PolarHBondContact O-N 3.49Å; S298-E300 PolarHBondContact OG-OE2 2.7Å | ||
| 301 | S | 41.8 | Very low | 36.7 | Very low | 67 Ų | 67 | 114 Ų | 114 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | trans | 52.8 | 74.8 | 165.6 | 58.2 | 0 | 0 | 0 | 0 | 116.7 | S299 A303 | S299-S301 PolarHBondContact O-N 3.42Å; S301-A303 VanDerWaalsContact C-N 3.26Å; S301-A303 PolarHBondContact O-N 3.45Å; S301-A303 VanDerWaalsContact O-N 3.08Å | ||
| 302 | L | 49.7 | Very low | 37.2 | Very low | 39 Ų | 39 | 106 Ų | 106 | 20% | 0.204 | 57% | 0.571 | C | S | . | * | trans | -65.7 | 99.5 | 141.2 | -161.5 | 102.9 | 0 | 0 | 0 | 105.9 | V226 P227 I228 Y254 F256 | V226-L302 HydrophobicContact CG1-CD1 4.08Å; P227-L302 HydrophobicContact CG-CD1 4.37Å; P227-L302 WeakPolarHBondContact O-CD2 3.32Å; I228-L302 HydrophobicContact CD1-CD1 4.41Å; I228-L302 HydrophobicContact CD1-CD2 4.39Å; Y254-L302 HydrophobicContact CD1-CD2 3.17Å; Y254-L302 HydrophobicContact CD1-CG 3.92Å; Y254-L302 HydrophobicContact CE1-CD2 3.7Å; Y254-L302 HydrophobicContact CG-CD2 3.92Å; Y254-L302 HydrophobicContact CG-CG 4.44Å; F256-L302 HydrophobicContact CD1-CD1 3.96Å | ||
| 303 | A | 56.7 | Low | 37.6 | Very low | 19 Ų | 19 | 108.1 Ų | 108.1 | 16% | 0.157 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y254 A255 F266 S301 | Y254-A303 CarbonylContact C-O 3.58Å; Y254-A303 VanDerWaalsContact CA-O 3.29Å; Y254-A303 WeakPolarHBondContact CA-O 3Å; A255-A303 PolarHBondContact N-O 3.16Å; A255-A303 PolarHBondContact O-N 2.97Å; A255-A303 VanDerWaalsContact O-N 3.09Å; F266-A303 HydrophobicContact CD2-CB 3.3Å; F266-A303 HydrophobicContact CE2-CB 3.53Å; F266-A303 WeakPolarHBondContact CE2-O 3.15Å; F266-A303 HydrophobicContact CG-CB 4.47Å; S301-A303 VanDerWaalsContact C-N 3.26Å; S301-A303 PolarHBondContact O-N 3.45Å; S301-A303 VanDerWaalsContact O-N 3.08Å |
| 304 | K | 49.5 | Very low | 38.3 | Very low | 50 Ų | 50 | 100.9 Ų | 100.9 | 22% | 0.217 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139.1 | -173.4 | 177.7 | 177.9 | 179.2 | 159.4 | 0 | 108.1 | Y232 N252 L253 Y254 C269 | Y232-K304 VanDerWaalsContact CE2-NZ 3.29Å; N252-K304 VanDerWaalsContact CG-CE 3.46Å; N252-K304 WeakPolarHBondContact OD1-CE 3.47Å; N252-K304 PolarHBondContact OD1-NZ 2.82Å; N252-K304 VanDerWaalsContact OD1-NZ 3.16Å; L253-K304 CarbonylContact O-C 3.42Å; L253-K304 VanDerWaalsContact O-CA 3.25Å; L253-K304 WeakPolarHBondContact O-CA 3.17Å; Y254-K304 HydrophobicContact CD1-CB 3.91Å; Y254-K304 HydrophobicContact CD1-CG 4.15Å; Y254-K304 HydrophobicContact CE1-CB 3.79Å; Y254-K304 HydrophobicContact CE1-CD 3.72Å; Y254-K304 HydrophobicContact CE1-CG 3.7Å; Y254-K304 PolarHBondContact OH-NZ 3.48Å; C269-K304 WeakPolarHBondContact CB-O 3.43Å; C269-K304 PolarHBondContact SG-O 3.1Å |
| 305 | A | 50.3 | Low | 39 | Very low | 16 Ų | 16 | 93.7 Ų | 93.7 | 13% | 0.132 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 167.3 | 161 | 0 | 0 | 0 | 0 | 0 | 110.5 | N252 L253 F266 | N252-A305 CarbonylContact C-O 3.53Å; N252-A305 WeakPolarHBondContact CA-O 3.32Å; L253-A305 PolarHBondContact N-O 3.49Å; L253-A305 PolarHBondContact O-N 3.02Å; F266-A305 HydrophobicContact CB-CB 4.46Å; F266-A305 HydrophobicContact CD1-CB 3.18Å; F266-A305 HydrophobicContact CE1-CB 3.46Å; F266-A305 VanDerWaalsContact CE1-CB 3.46Å; F266-A305 HydrophobicContact CG-CB 4Å; F266-A305 HydrophobicContact CZ-CB 4.46Å |
| 306 | R | 36.3 | Very low | 40 | Very low | 188 Ų | 188 | 88.3 Ų | 88.3 | 71% | 0.709 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.7 | 171.3 | -153.5 | 175.4 | -170.2 | -163.4 | -1.3 | 107.3 | N251 | N251-R306 WeakPolarHBondContact O-CA 3.28Å |
| 307 | C | 34.4 | Very low | 40.6 | Very low | 49 Ų | 49 | 88 Ų | 88 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | trans | -65.4 | 138.5 | 171.1 | -67.3 | 0 | 0 | 0 | 0 | 108.9 | N251 | N251-C307 HydrophobicContact CB-CB 4.22Å; N251-C307 PolarHBondContact O-N 2.72Å | ||
| 308 | P | 32.7 | Very low | 40.9 | Very low | 190 Ų | 190 | 83.4 Ų | 83.4 | 100% | 1.234 | 47% | 0.47 | S | S | * | . | trans | -59.9 | 0 | 175.6 | 24.9 | -31.8 | 0 | 0 | 0 | 112.7 |
Retrieved 308 of 308 residues in 633.5 ms
(Link to these results)