| 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 | 39.7 | Very low | 79.9 | Confident | 243 Ų | 243 | 80.7 Ų | 80.7 | 100% | 1.197 | 42% | 0.419 | S | S | * | . | 0 | 102.3 | 0 | -130.5 | -179.7 | -70.9 | 0 | 0 | 104.8 | A3 | M1-A3 PolarHBondContact O-N 3.37Š| |||
| 2 | E | 53.3 | Low | 80.8 | Confident | 189 Ų | 189 | 82.6 Ų | 82.6 | 88% | 0.883 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 134.2 | 174.3 | -73.3 | 172.6 | 172.1 | 0 | 0 | 108 | K4 | E2-K4 PolarHBondContact O-N 2.77Å; E2-K4 VanDerWaalsContact O-N 3.15Å |
| 3 | A | 65.4 | Low | 81.3 | Confident | 95 Ų | 95 | 84 Ų | 84 | 79% | 0.785 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 119.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | M1 I5 | M1-A3 PolarHBondContact O-N 3.37Å; A3-I5 PolarHBondContact O-N 2.92Å |
| 4 | K | 76.5 | Confident | 82 | Confident | 103 Ų | 103 | 81.6 Ų | 81.6 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 123.3 | 176.6 | -69.5 | -175.9 | 176.3 | -174.8 | 0 | 108.6 | E2 N6 Y55 N63 | E2-K4 PolarHBondContact O-N 2.77Å; E2-K4 VanDerWaalsContact O-N 3.15Å; K4-N6 PolarHBondContact O-N 3.41Å; K4-Y55 HydrophobicContact CB-CD1 3.61Å; K4-Y55 HydrophobicContact CB-CE1 3.58Å; K4-Y55 HydrophobicContact CB-CG 4.45Å; K4-Y55 HydrophobicContact CD-CD1 4.07Å; K4-Y55 HydrophobicContact CD-CD2 4.3Å; K4-Y55 HydrophobicContact CD-CE1 4.19Å; K4-Y55 HydrophobicContact CD-CE2 4.41Å; K4-Y55 HydrophobicContact CD-CG 4.13Å; K4-Y55 HydrophobicContact CG-CD1 4.49Å; K4-N63 PolarHBondContact NZ-OD1 3.38Å |
| 5 | I | 85.5 | Confident | 82.7 | Confident | 75 Ų | 75 | 82.4 Ų | 82.4 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 126.7 | 175.1 | -63.1 | 174 | 0 | 0 | 0 | 108.5 | A3 V7 I10 W77 E78 | A3-I5 PolarHBondContact O-N 2.92Å; I5-V7 PolarHBondContact O-N 2.92Å; I5-I10 HydrophobicContact CG2-CD1 3.44Å; I5-I10 VanDerWaalsContact CG2-CD1 3.44Å; I5-W77 HydrophobicContact CD1-CB 4.15Å; I5-W77 HydrophobicContact CG2-CB 3.96Å; I5-E78 HydrophobicContact CD1-CB 4.03Å |
| 6 | N | 91.2 | Very high | 83.3 | Confident | 57 Ų | 57 | 86.1 Ų | 86.1 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | trans | -77.8 | 105.3 | 171.1 | -174.8 | -24.2 | 0 | 0 | 0 | 108.4 | K4 V8 E9 | K4-N6 PolarHBondContact O-N 3.41Å; N6-V8 VanDerWaalsContact C-N 3.34Å; N6-V8 WeakPolarHBondContact OD1-CB 3.3Å; N6-V8 PolarHBondContact OD1-N 3.21Å; N6-E9 HydrophobicContact CB-CB 4.18Å; N6-E9 HydrophobicContact CB-CG 3.96Å; N6-E9 PolarHBondContact O-N 3.17Å; N6-E9 PolarHBondContact OD1-N 3.28Å | ||
| 7 | V | 93.3 | Very high | 83.9 | Confident | 2 Ų | 2 | 83.5 Ų | 83.5 | 1% | 0.012 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.5 | -33.1 | -177.4 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | I5 E9 I10 L11 I39 V54 W77 | I5-V7 PolarHBondContact O-N 2.92Å; V7-E9 VanDerWaalsContact C-N 3.28Å; V7-E9 PolarHBondContact O-N 2.71Å; V7-I10 PolarHBondContact O-N 3.33Å; V7-I10 VanDerWaalsContact O-N 3.12Å; V7-L11 HydrophobicContact CG1-CD1 3.64Å; V7-L11 HydrophobicContact CG1-CG 4.01Å; V7-L11 WeakPolarHBondContact O-CG 3.4Å; V7-L11 PolarHBondContact O-N 2.93Å; V7-I39 HydrophobicContact CB-CD1 3.78Å; V7-I39 HydrophobicContact CG1-CD1 3.51Å; V7-V54 WeakPolarHBondContact CB-O 3.43Å; V7-V54 PolarHBondContact N-O 2.98Å; V7-W77 HydrophobicContact CB-CD2 4.47Å; V7-W77 HydrophobicContact CG1-CD2 3.89Å; V7-W77 HydrophobicContact CG1-CE3 3.85Å; V7-W77 HydrophobicContact CG1-CH2 3.45Å; V7-W77 VanDerWaalsContact CG1-CH2 3.45Å; V7-W77 HydrophobicContact CG1-CZ2 3.46Å; V7-W77 VanDerWaalsContact CG1-CZ2 3.46Å; V7-W77 HydrophobicContact CG1-CZ3 3.64Å; V7-W77 HydrophobicContact CG2-CD2 3.9Å; V7-W77 HydrophobicContact CG2-CG 4Å; V7-W77 HydrophobicContact CG2-CZ2 4.31Å |
| 8 | V | 92.8 | Very high | 84.4 | Confident | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.018 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 174.2 | 157.4 | 0 | 0 | 0 | 0 | 110.8 | N6 I10 L11 K12 S35 I39 V54 | N6-V8 VanDerWaalsContact C-N 3.34Å; N6-V8 WeakPolarHBondContact OD1-CB 3.3Å; N6-V8 PolarHBondContact OD1-N 3.21Å; V8-I10 PolarHBondContact O-N 3.23Å; V8-L11 PolarHBondContact O-N 3.38Å; V8-L11 VanDerWaalsContact O-N 3.1Å; V8-K12 WeakPolarHBondContact O-CB 3.32Å; V8-K12 PolarHBondContact O-N 2.95Å; V8-S35 WeakPolarHBondContact CG1-O 3.45Å; V8-S35 WeakPolarHBondContact CG2-O 3.26Å; V8-I39 HydrophobicContact CG2-CD1 4.12Å; V8-I39 HydrophobicContact CG2-CG1 3.47Å; V8-I39 VanDerWaalsContact CG2-CG1 3.47Å; V8-V54 HydrophobicContact CB-CG1 4.34Å; V8-V54 HydrophobicContact CG2-CB 4.29Å; V8-V54 HydrophobicContact CG2-CG1 3.98Å |
| 9 | E | 92.5 | Very high | 84.8 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.9 | -26.6 | 179.7 | -74.9 | -68 | 110 | 0 | 0 | 113.1 | N6 V7 K12 | N6-E9 HydrophobicContact CB-CB 4.18Å; N6-E9 HydrophobicContact CB-CG 3.96Å; N6-E9 PolarHBondContact O-N 3.17Å; N6-E9 PolarHBondContact OD1-N 3.28Å; V7-E9 VanDerWaalsContact C-N 3.28Å; V7-E9 PolarHBondContact O-N 2.71Å; E9-K12 WeakPolarHBondContact O-CE 3.48Å; E9-K12 IonicContact OE1-NZ 2.9Å; E9-K12 PolarHBondContact OE1-NZ 2.88Å; E9-K12 IonicContact OE2-NZ 3.7Å; E9-K12 PolarHBondContact OE2-NZ 3.32Å |
| 10 | I | 93.7 | Very high | 85.3 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -83.3 | -39.9 | 175.2 | -62.9 | 165.5 | 0 | 0 | 0 | 111 | I5 V7 V8 W77 F80 | I5-I10 HydrophobicContact CG2-CD1 3.44Å; I5-I10 VanDerWaalsContact CG2-CD1 3.44Å; V7-I10 PolarHBondContact O-N 3.33Å; V7-I10 VanDerWaalsContact O-N 3.12Å; V8-I10 PolarHBondContact O-N 3.23Å; I10-W77 HydrophobicContact CD1-CB 3.89Å; I10-W77 HydrophobicContact CD1-CE3 4.36Å; I10-W77 WeakPolarHBondContact CD1-O 3.33Å; I10-W77 HydrophobicContact CG2-CE3 4.39Å; I10-F80 HydrophobicContact CG2-CD1 3.73Å; I10-F80 HydrophobicContact CG2-CE1 4.36Å |
| 11 | L | 94.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -81.9 | -23.9 | -174 | -68.3 | 180 | 0 | 0 | 0 | 114.1 | V7 V8 D13 K14 L20 L31 A34 I39 L68 W77 F80 | V7-L11 HydrophobicContact CG1-CD1 3.64Å; V7-L11 HydrophobicContact CG1-CG 4.01Å; V7-L11 WeakPolarHBondContact O-CG 3.4Å; V7-L11 PolarHBondContact O-N 2.93Å; V8-L11 PolarHBondContact O-N 3.38Å; V8-L11 VanDerWaalsContact O-N 3.1Å; L11-D13 PolarHBondContact O-N 3.25Å; L11-D13 VanDerWaalsContact O-N 3.13Å; L11-K14 HydrophobicContact CD2-CG 4.23Å; L11-K14 WeakPolarHBondContact O-CB 3.37Å; L11-K14 PolarHBondContact O-N 2.82Å; L11-L20 HydrophobicContact CD1-CD1 4.32Å; L11-L20 HydrophobicContact CD2-CD1 4.38Å; L11-L20 HydrophobicContact CD2-CD2 4.31Å; L11-L31 HydrophobicContact CB-CD1 4.44Å; L11-L31 HydrophobicContact CB-CD2 4.31Å; L11-L31 HydrophobicContact CD1-CD1 4.17Å; L11-L31 HydrophobicContact CD2-CD2 4.33Å; L11-A34 HydrophobicContact CB-CB 3.94Å; L11-I39 HydrophobicContact CD1-CD1 3.95Å; L11-I39 HydrophobicContact CD1-CG1 4.2Å; L11-I39 HydrophobicContact CD1-CG2 3.61Å; L11-L68 HydrophobicContact CD1-CD2 4.34Å; L11-W77 HydrophobicContact CD1-CH2 4.14Å; L11-W77 HydrophobicContact CD1-CZ3 4.4Å; L11-W77 HydrophobicContact CD2-CH2 4.17Å; L11-W77 HydrophobicContact CD2-CZ3 3.84Å; L11-W77 HydrophobicContact CG-CH2 4.36Å; L11-W77 HydrophobicContact CG-CZ3 4.11Å; L11-F80 HydrophobicContact CD2-CE1 3.88Å |
| 12 | K | 90.7 | Very high | 88.3 | Confident | 103 Ų | 103 | 60 Ų | 60 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.2 | -178.8 | 69.5 | -177.1 | -178.6 | -175.7 | 0 | 114 | V8 E9 | V8-K12 WeakPolarHBondContact O-CB 3.32Å; V8-K12 PolarHBondContact O-N 2.95Å; E9-K12 WeakPolarHBondContact O-CE 3.48Å; E9-K12 IonicContact OE1-NZ 2.9Å; E9-K12 PolarHBondContact OE1-NZ 2.88Å; E9-K12 IonicContact OE2-NZ 3.7Å; E9-K12 PolarHBondContact OE2-NZ 3.32Å |
| 13 | D | 88.2 | Confident | 90.1 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 54% | 0.54 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.2 | 179.3 | -64.5 | -27 | 0 | 0 | 0 | 112.6 | L11 K83 | L11-D13 PolarHBondContact O-N 3.25Å; L11-D13 VanDerWaalsContact O-N 3.13Å; D13-K83 IonicContact OD2-NZ 3.83Å; D13-K83 PolarHBondContact OD2-NZ 3.32Å |
| 14 | K | 91.2 | Very high | 91 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 22% | 0.222 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -91.6 | 144.9 | -177.5 | -59.1 | -69.5 | -177.5 | 170.6 | 0 | 110.3 | L11 L31 F80 | L11-K14 HydrophobicContact CD2-CG 4.23Å; L11-K14 WeakPolarHBondContact O-CB 3.37Å; L11-K14 PolarHBondContact O-N 2.82Å; K14-L31 HydrophobicContact CB-CD2 3.89Å; K14-F80 HydrophobicContact CD-CE1 4.21Å; K14-F80 HydrophobicContact CD-CZ 4.25Å; K14-F80 HydrophobicContact CG-CE1 4.28Å; K14-F80 PolarHBondContact NZ-O 2.84Å; K14-F80 VanDerWaalsContact NZ-O 3.13Å |
| 15 | P | 92.2 | Very high | 91.3 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 148.3 | 179.1 | 27.6 | -34 | 0 | 0 | 0 | 111.7 | G17 T18 | P15-G17 PolarHBondContact O-N 2.91Å; P15-T18 WeakPolarHBondContact CD-OG1 3.17Å; P15-T18 WeakPolarHBondContact O-CB 3.47Å; P15-T18 PolarHBondContact O-N 2.88Å; P15-T18 VanDerWaalsContact O-N 3.14Å; P15-T18 PolarHBondContact O-OG1 3.19Å |
| 16 | Q | 92.7 | Very high | 91.3 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 137.5 | 165.8 | -177.2 | 175.4 | 23.8 | 0 | 0 | 109.8 | N32 | Q16-N32 WeakPolarHBondContact CG-O 3.24Š|
| 17 | G | 92.4 | Very high | 91 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 4.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P15 K19 L31 | P15-G17 PolarHBondContact O-N 2.91Å; G17-K19 PolarHBondContact O-N 3.08Å; G17-L31 PolarHBondContact N-O 2.92Å |
| 18 | T | 92.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | trans | -57.1 | 122.9 | 171.2 | -64 | 0 | 0 | 0 | 0 | 109.7 | P15 L20 F30 L31 F80 | P15-T18 WeakPolarHBondContact CD-OG1 3.17Å; P15-T18 WeakPolarHBondContact O-CB 3.47Å; P15-T18 PolarHBondContact O-N 2.88Å; P15-T18 VanDerWaalsContact O-N 3.14Å; P15-T18 PolarHBondContact O-OG1 3.19Å; T18-L20 HydrophobicContact CG2-CD2 4.48Å; T18-F30 CarbonylContact O-C 3.59Å; T18-F30 WeakPolarHBondContact O-CA 3.37Å; T18-L31 PolarHBondContact O-N 2.97Å; T18-F80 HydrophobicContact CG2-CZ 4.05Å | ||
| 19 | K | 93.2 | Very high | 90.8 | Very high | 47 Ų | 47 | 55 Ų | 55 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.8 | 177.4 | -177.9 | 169.2 | 166.5 | 160.9 | 0 | 110.6 | G17 E28 F30 E104 Y106 | G17-K19 PolarHBondContact O-N 3.08Å; K19-E28 WeakPolarHBondContact CE-OE1 3.22Å; K19-E28 WeakPolarHBondContact CE-OE2 3.42Å; K19-E28 IonicContact NZ-OE1 2.68Å; K19-E28 PolarHBondContact NZ-OE1 3.33Å; K19-E28 IonicContact NZ-OE2 3.46Å; K19-E28 PolarHBondContact NZ-OE2 2.93Å; K19-F30 HydrophobicContact CB-CD1 4.33Å; K19-F30 HydrophobicContact CB-CE1 4.18Å; K19-F30 HydrophobicContact CG-CE1 4.33Å; K19-E104 HydrophobicContact CD-CB 4.28Å; K19-E104 WeakPolarHBondContact CD-OE2 3.17Å; K19-E104 IonicContact NZ-OE2 3.59Å; K19-E104 PolarHBondContact NZ-OE2 3.36Å; K19-Y106 PolarHBondContact O-OH 3.49Å |
| 20 | L | 94.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 171.7 | -178.8 | -65.2 | 176.1 | 0 | 0 | 0 | 109.1 | L11 T18 C29 L31 I41 L68 P70 W77 | L11-L20 HydrophobicContact CD1-CD1 4.32Å; L11-L20 HydrophobicContact CD2-CD1 4.38Å; L11-L20 HydrophobicContact CD2-CD2 4.31Å; T18-L20 HydrophobicContact CG2-CD2 4.48Å; L20-C29 VanDerWaalsContact C-SG 3.55Å; L20-C29 VanDerWaalsContact CB-SG 3.59Å; L20-C29 PolarHBondContact N-O 3.07Å; L20-C29 PolarHBondContact O-N 3.31Å; L20-C29 VanDerWaalsContact O-O 3.13Å; L20-C29 PolarHBondContact O-SG 3.1Å; L20-L31 HydrophobicContact CD1-CB 4.14Å; L20-I41 HydrophobicContact CD1-CG2 4.34Å; L20-L68 HydrophobicContact CB-CD1 4.17Å; L20-L68 HydrophobicContact CD1-CD1 4.16Å; L20-L68 HydrophobicContact CD1-CD2 4.31Å; L20-P70 WeakPolarHBondContact CA-O 3.35Å; L20-W77 HydrophobicContact CD2-CH2 4.04Å |
| 21 | Y | 94.6 | Very high | 90.8 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.9 | 174.6 | 174.2 | -103.9 | 0 | 0 | 0 | 110.8 | I23 D26 G27 F69 S71 R72 | Y21-I23 HydrophobicContact CE1-CG1 3.86Å; Y21-D26 PolarHBondContact OH-OD1 3.31Å; Y21-G27 WeakPolarHBondContact CD2-O 3.35Å; Y21-F69 HydrophobicContact CD1-CB 4.32Å; Y21-F69 HydrophobicContact CD1-CD2 4.03Å; Y21-F69 HydrophobicContact CE1-CD2 4.46Å; Y21-F69 PolarHBondContact N-O 2.87Å; Y21-F69 PolarHBondContact O-N 3.47Å; Y21-S71 VanDerWaalsContact CB-C 3.49Å; Y21-R72 HydrophobicContact CD1-CB 4.31Å; Y21-R72 HydrophobicContact CD2-CB 3.96Å; Y21-R72 HydrophobicContact CE1-CB 4.42Å; Y21-R72 HydrophobicContact CE2-CB 4.08Å; Y21-R72 HydrophobicContact CE2-CG 4.31Å; Y21-R72 HydrophobicContact CG-CB 4.08Å |
| 22 | S | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.6 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | L24 S25 D26 G27 L67 | S22-L24 PolarHBondContact O-N 3.33Å; S22-L24 PolarHBondContact OG-N 3.21Å; S22-S25 PolarHBondContact O-N 3.06Å; S22-S25 PolarHBondContact O-OG 3.46Å; S22-D26 PolarHBondContact O-N 3.2Å; S22-G27 PolarHBondContact N-O 3.45Å; S22-L67 WeakPolarHBondContact CA-O 3.33Å |
| 23 | I | 90.8 | Very high | 90.8 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -63.6 | -27 | 173.1 | -66 | 177.5 | 0 | 0 | 0 | 111 | Y21 S25 D26 L67 F69 | Y21-I23 HydrophobicContact CE1-CG1 3.86Å; I23-S25 VanDerWaalsContact C-N 3.26Å; I23-S25 PolarHBondContact O-N 2.98Å; I23-D26 PolarHBondContact O-N 3.27Å; I23-L67 HydrophobicContact CB-CD2 4.5Å; I23-L67 PolarHBondContact N-O 3.5Å; I23-F69 HydrophobicContact CD1-CD2 4.43Å; I23-F69 HydrophobicContact CD1-CE2 3.49Å; I23-F69 VanDerWaalsContact CD1-CE2 3.49Å; I23-F69 HydrophobicContact CD1-CZ 4.14Å; I23-F69 HydrophobicContact CG1-CD2 4.33Å; I23-F69 HydrophobicContact CG1-CE2 3.81Å |
| 24 | L | 85.6 | Confident | 91.1 | Very high | 76 Ų | 76 | 50 Ų | 50 | 40% | 0.398 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -62.5 | -32.6 | -177.2 | -70.5 | 176.5 | 0 | 0 | 0 | 113.5 | S22 W50 F52 L67 | S22-L24 PolarHBondContact O-N 3.33Å; S22-L24 PolarHBondContact OG-N 3.21Å; L24-W50 HydrophobicContact CD1-CD2 3.95Å; L24-W50 HydrophobicContact CD1-CE3 3.69Å; L24-W50 HydrophobicContact CD1-CH2 3.96Å; L24-W50 HydrophobicContact CD1-CZ2 4.2Å; L24-W50 HydrophobicContact CD1-CZ3 3.69Å; L24-F52 HydrophobicContact CD1-CE1 3.8Å; L24-F52 HydrophobicContact CD1-CZ 3.78Å; L24-L67 HydrophobicContact CD1-CD1 4.12Å; L24-L67 HydrophobicContact CD2-CD1 3.83Å; L24-L67 HydrophobicContact CG-CD1 3.9Å |
| 25 | S | 82.4 | Confident | 91 | Very high | 37 Ų | 37 | 49 Ų | 49 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -105.8 | -1.4 | 178.7 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | S22 I23 G27 I43 | S22-S25 PolarHBondContact O-N 3.06Å; S22-S25 PolarHBondContact O-OG 3.46Å; I23-S25 VanDerWaalsContact C-N 3.26Å; I23-S25 PolarHBondContact O-N 2.98Å; S25-G27 PolarHBondContact O-N 3.05Å; S25-G27 VanDerWaalsContact O-N 3.09Å; S25-I43 VanDerWaalsContact CB-CG2 3.49Å |
| 26 | D | 84.9 | Confident | 90.8 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 56% | 0.556 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.9 | 43 | -164.9 | -166 | 29.7 | 0 | 0 | 0 | 112.6 | Y21 S22 I23 | Y21-D26 PolarHBondContact OH-OD1 3.31Å; S22-D26 PolarHBondContact O-N 3.2Å; I23-D26 PolarHBondContact O-N 3.27Å |
| 27 | G | 85.4 | Confident | 90.7 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 169.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y21 S22 S25 | Y21-G27 WeakPolarHBondContact CD2-O 3.35Å; S22-G27 PolarHBondContact N-O 3.45Å; S25-G27 PolarHBondContact O-N 3.05Å; S25-G27 VanDerWaalsContact O-N 3.09Å |
| 28 | E | 88.7 | Confident | 90.7 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 141.8 | 176.2 | -55.8 | -178.1 | 172.3 | 0 | 0 | 110 | K19 | K19-E28 WeakPolarHBondContact CE-OE1 3.22Å; K19-E28 WeakPolarHBondContact CE-OE2 3.42Å; K19-E28 IonicContact NZ-OE1 2.68Å; K19-E28 PolarHBondContact NZ-OE1 3.33Å; K19-E28 IonicContact NZ-OE2 3.46Å; K19-E28 PolarHBondContact NZ-OE2 2.93Å |
| 29 | C | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 165.8 | 171.9 | 60.9 | 0 | 0 | 0 | 0 | 109.3 | L20 I41 D42 I43 | L20-C29 VanDerWaalsContact C-SG 3.55Å; L20-C29 VanDerWaalsContact CB-SG 3.59Å; L20-C29 PolarHBondContact N-O 3.07Å; L20-C29 PolarHBondContact O-N 3.31Å; L20-C29 VanDerWaalsContact O-O 3.13Å; L20-C29 PolarHBondContact O-SG 3.1Å; C29-I41 HydrophobicContact CB-CB 4.47Å; C29-I41 HydrophobicContact CB-CD1 3.67Å; C29-D42 CarbonylContact C-O 3.57Å; C29-D42 VanDerWaalsContact CA-O 3.31Å; C29-D42 WeakPolarHBondContact CA-O 3.39Å; C29-D42 WeakPolarHBondContact CB-O 3.44Å; C29-I43 HydrophobicContact CB-CD1 4.45Å; C29-I43 HydrophobicContact CB-CG1 3.82Å |
| 30 | F | 93.1 | Very high | 90.8 | Very high | 89 Ų | 89 | 49.6 Ų | 49.6 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.7 | -175.2 | -58 | -84.9 | 0 | 0 | 0 | 110.4 | T18 K19 N32 I41 D42 | T18-F30 CarbonylContact O-C 3.59Å; T18-F30 WeakPolarHBondContact O-CA 3.37Å; K19-F30 HydrophobicContact CB-CD1 4.33Å; K19-F30 HydrophobicContact CB-CE1 4.18Å; K19-F30 HydrophobicContact CG-CE1 4.33Å; F30-N32 PolarHBondContact O-N 2.96Å; F30-I41 CarbonylContact O-C 3.6Å; F30-I41 VanDerWaalsContact O-CA 3.26Å; F30-I41 WeakPolarHBondContact O-CA 3.29Å; F30-D42 HydrophobicContact CB-CB 4.44Å; F30-D42 PolarHBondContact N-O 2.9Å; F30-D42 PolarHBondContact O-N 2.71Å |
| 31 | L | 94.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 118.6 | 174.4 | 179.7 | 63 | 0 | 0 | 0 | 109.5 | L11 K14 G17 T18 L20 I39 | L11-L31 HydrophobicContact CB-CD1 4.44Å; L11-L31 HydrophobicContact CB-CD2 4.31Å; L11-L31 HydrophobicContact CD1-CD1 4.17Å; L11-L31 HydrophobicContact CD2-CD2 4.33Å; K14-L31 HydrophobicContact CB-CD2 3.89Å; G17-L31 PolarHBondContact N-O 2.92Å; T18-L31 PolarHBondContact O-N 2.97Å; L20-L31 HydrophobicContact CD1-CB 4.14Å; L31-I39 HydrophobicContact CD1-CG2 4.06Å |
| 32 | N | 93.5 | Very high | 90.6 | Very high | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -52.4 | 171.5 | -168.3 | -88.2 | 0 | 0 | 0 | 110.1 | Q16 F30 Y40 D42 R48 | Q16-N32 WeakPolarHBondContact CG-O 3.24Å; F30-N32 PolarHBondContact O-N 2.96Å; N32-Y40 WeakPolarHBondContact CB-O 3.36Å; N32-Y40 PolarHBondContact N-O 2.98Å; N32-D42 WeakPolarHBondContact CB-OD1 3.43Å; N32-D42 PolarHBondContact ND2-OD1 2.87Å; N32-D42 PolarHBondContact ND2-OD2 2.95Å; N32-R48 HydrophobicContact CB-CG 4.29Å; N32-R48 VanDerWaalsContact OD1-CG 3.24Å; N32-R48 WeakPolarHBondContact OD1-CG 2.88Å; N32-R48 PolarHBondContact OD1-NE 2.73Å |
| 33 | E | 92.6 | Very high | 90.4 | Very high | 85 Ų | 85 | 50.2 Ų | 50.2 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 149.6 | -178.9 | -178.4 | 175.5 | 154.7 | 0 | 0 | 110.5 | Y40 R48 | E33-Y40 HydrophobicContact CB-CD2 4.29Å; E33-Y40 PolarHBondContact N-O 3.04Å; E33-Y40 PolarHBondContact O-N 2.84Å; E33-R48 IonicContact OE1-NH2 2.69Å; E33-R48 IonicContact OE2-CZ 3.2Å; E33-R48 IonicContact OE2-NH2 3.51Å; E33-R48 PolarHBondContact OE2-NH2 2.94Å |
| 34 | A | 92.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109 | L11 | L11-A34 HydrophobicContact CB-CB 3.94Å |
| 35 | S | 90.2 | Very high | 89.3 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | trans | -91.5 | 171.8 | 170.3 | 65.3 | 0 | 0 | 0 | 0 | 110.1 | V8 D37 S38 | V8-S35 WeakPolarHBondContact CG1-O 3.45Å; V8-S35 WeakPolarHBondContact CG2-O 3.26Å; S35-D37 PolarHBondContact O-N 2.85Å; S35-D37 PolarHBondContact OG-OD1 2.9Å; S35-S38 PolarHBondContact N-O 3.49Å; S35-S38 PolarHBondContact O-N 3.45Å; S35-S38 VanDerWaalsContact OG-CB 3.29Å; S35-S38 WeakPolarHBondContact OG-CB 3.43Å; S35-S38 PolarHBondContact OG-N 3.39Å; S35-S38 PolarHBondContact OG-O 2.9Å | ||
| 36 | E | 88.7 | Confident | 88.9 | Confident | 185 Ų | 185 | 61.8 Ų | 61.8 | 86% | 0.864 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -52.2 | -31.3 | -180 | -65.1 | -177.3 | 173.5 | 0 | 0 | 113.9 | V54 | E36-V54 WeakPolarHBondContact O-CG1 3.49Š|
| 37 | D | 90.4 | Very high | 88.4 | Confident | 100 Ų | 100 | 65.6 Ų | 65.6 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -118.8 | -9.8 | -173 | 66 | -10.2 | 0 | 0 | 0 | 114.9 | S35 V54 | S35-D37 PolarHBondContact O-N 2.85Å; S35-D37 PolarHBondContact OG-OD1 2.9Å; D37-V54 WeakPolarHBondContact O-CG1 3.37Å; D37-V54 PolarHBondContact O-N 3.01Å |
| 38 | S | 92.4 | Very high | 87.6 | Confident | 6 Ų | 6 | 70.9 Ų | 70.9 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 148.9 | -165.1 | -50 | 0 | 0 | 0 | 0 | 113.5 | S35 F52 | S35-S38 PolarHBondContact N-O 3.49Å; S35-S38 PolarHBondContact O-N 3.45Å; S35-S38 VanDerWaalsContact OG-CB 3.29Å; S35-S38 WeakPolarHBondContact OG-CB 3.43Å; S35-S38 PolarHBondContact OG-N 3.39Å; S35-S38 PolarHBondContact OG-O 2.9Å; S38-F52 CarbonylContact C-O 3.37Å; S38-F52 VanDerWaalsContact CA-O 3.29Å; S38-F52 WeakPolarHBondContact CA-O 3.33Å |
| 39 | I | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.1 | 176.7 | -53.3 | 162.7 | 0 | 0 | 0 | 108.2 | V7 V8 L11 L31 I41 C51 F52 T53 L68 | V7-I39 HydrophobicContact CB-CD1 3.78Å; V7-I39 HydrophobicContact CG1-CD1 3.51Å; V8-I39 HydrophobicContact CG2-CD1 4.12Å; V8-I39 HydrophobicContact CG2-CG1 3.47Å; V8-I39 VanDerWaalsContact CG2-CG1 3.47Å; L11-I39 HydrophobicContact CD1-CD1 3.95Å; L11-I39 HydrophobicContact CD1-CG1 4.2Å; L11-I39 HydrophobicContact CD1-CG2 3.61Å; L31-I39 HydrophobicContact CD1-CG2 4.06Å; I39-I41 HydrophobicContact CG2-CG2 4.23Å; I39-C51 CarbonylContact O-C 3.55Å; I39-C51 WeakPolarHBondContact O-CA 3.49Å; I39-F52 HydrophobicContact CB-CB 4.32Å; I39-F52 PolarHBondContact N-O 2.89Å; I39-F52 PolarHBondContact O-N 3.48Å; I39-T53 WeakPolarHBondContact CD1-O 3.27Å; I39-L68 HydrophobicContact CB-CD2 4.47Å; I39-L68 HydrophobicContact CD1-CD2 4.05Å; I39-L68 HydrophobicContact CG2-CD2 3.85Å |
| 40 | Y | 93.7 | Very high | 86.5 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.3 | 177.6 | -61.1 | -89.9 | 0 | 0 | 0 | 110.1 | N32 E33 R48 W50 C51 | N32-Y40 WeakPolarHBondContact CB-O 3.36Å; N32-Y40 PolarHBondContact N-O 2.98Å; E33-Y40 HydrophobicContact CB-CD2 4.29Å; E33-Y40 PolarHBondContact N-O 3.04Å; E33-Y40 PolarHBondContact O-N 2.84Å; Y40-R48 HydrophobicContact CD1-CG 4.42Å; Y40-W50 WeakPolarHBondContact CA-O 3.37Å; Y40-C51 HydrophobicContact CD1-CB 4.19Å; Y40-C51 HydrophobicContact CE1-CB 4.11Å |
| 41 | I | 92.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.4 | 177.8 | 63 | 157.6 | 0 | 0 | 0 | 112.6 | L20 C29 F30 I39 I43 F49 W50 F52 L68 | L20-I41 HydrophobicContact CD1-CG2 4.34Å; C29-I41 HydrophobicContact CB-CB 4.47Å; C29-I41 HydrophobicContact CB-CD1 3.67Å; F30-I41 CarbonylContact O-C 3.6Å; F30-I41 VanDerWaalsContact O-CA 3.26Å; F30-I41 WeakPolarHBondContact O-CA 3.29Å; I39-I41 HydrophobicContact CG2-CG2 4.23Å; I41-I43 HydrophobicContact CD1-CD1 3.54Å; I41-I43 HydrophobicContact CD1-CG1 3.62Å; I41-I43 HydrophobicContact CG1-CD1 4.4Å; I41-I43 HydrophobicContact CG1-CG1 4.19Å; I41-F49 PolarHBondContact O-N 3.31Å; I41-W50 HydrophobicContact CD1-CB 4.2Å; I41-W50 HydrophobicContact CG1-CB 3.8Å; I41-W50 PolarHBondContact N-O 3.12Å; I41-W50 PolarHBondContact O-N 2.68Å; I41-F52 HydrophobicContact CD1-CD2 4.36Å; I41-F52 HydrophobicContact CD1-CE2 3.5Å; I41-F52 HydrophobicContact CD1-CZ 4.36Å; I41-F52 HydrophobicContact CG1-CD2 4.36Å; I41-F52 HydrophobicContact CG1-CE2 3.93Å; I41-L68 HydrophobicContact CD1-CD1 4.4Å; I41-L68 HydrophobicContact CG2-CD1 4.25Å |
| 42 | D | 91.9 | Very high | 86.3 | Confident | 29 Ų | 29 | 71.7 Ų | 71.7 | 16% | 0.155 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.8 | 171.6 | -61.2 | -15 | 0 | 0 | 0 | 108.8 | C29 F30 N32 R46 K47 R48 | C29-D42 CarbonylContact C-O 3.57Å; C29-D42 VanDerWaalsContact CA-O 3.31Å; C29-D42 WeakPolarHBondContact CA-O 3.39Å; C29-D42 WeakPolarHBondContact CB-O 3.44Å; F30-D42 HydrophobicContact CB-CB 4.44Å; F30-D42 PolarHBondContact N-O 2.9Å; F30-D42 PolarHBondContact O-N 2.71Å; N32-D42 WeakPolarHBondContact CB-OD1 3.43Å; N32-D42 PolarHBondContact ND2-OD1 2.87Å; N32-D42 PolarHBondContact ND2-OD2 2.95Å; D42-R46 WeakPolarHBondContact CA-O 3.36Å; D42-K47 WeakPolarHBondContact OD1-CA 3.24Å; D42-R48 PolarHBondContact OD1-N 3.15Å |
| 43 | I | 87.1 | Confident | 86.3 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.1 | 177 | -45 | -175.5 | 0 | 0 | 0 | 108 | S25 C29 I41 N45 R46 F49 W50 | S25-I43 VanDerWaalsContact CB-CG2 3.49Å; C29-I43 HydrophobicContact CB-CD1 4.45Å; C29-I43 HydrophobicContact CB-CG1 3.82Å; I41-I43 HydrophobicContact CD1-CD1 3.54Å; I41-I43 HydrophobicContact CD1-CG1 3.62Å; I41-I43 HydrophobicContact CG1-CD1 4.4Å; I41-I43 HydrophobicContact CG1-CG1 4.19Å; I43-N45 VanDerWaalsContact C-N 3.25Å; I43-N45 PolarHBondContact O-N 3.39Å; I43-N45 VanDerWaalsContact O-N 3.15Å; I43-R46 PolarHBondContact N-O 2.78Å; I43-R46 WeakPolarHBondContact O-CB 3.18Å; I43-R46 PolarHBondContact O-N 2.81Å; I43-F49 HydrophobicContact CB-CD1 4.08Å; I43-F49 HydrophobicContact CD1-CD1 4.38Å; I43-F49 HydrophobicContact CG1-CD1 4.39Å; I43-W50 VanDerWaalsContact CD1-CD1 3.47Å; I43-W50 HydrophobicContact CD1-CG 4.19Å |
| 44 | D | 79.5 | Confident | 86.3 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 63% | 0.631 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 40.9 | 173.2 | -58.6 | -30.4 | 0 | 0 | 0 | 113.7 | R46 | D44-R46 PolarHBondContact O-N 3.4Š|
| 45 | N | 73.7 | Confident | 86.2 | Confident | 173 Ų | 173 | 71.2 Ų | 71.2 | 93% | 0.925 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 13.1 | -176.3 | -54.4 | -47.1 | 0 | 0 | 0 | 115.5 | I43 | I43-N45 VanDerWaalsContact C-N 3.25Å; I43-N45 PolarHBondContact O-N 3.39Å; I43-N45 VanDerWaalsContact O-N 3.15Å |
| 46 | R | 75.4 | Confident | 86.3 | Confident | 139 Ų | 139 | 69.8 Ų | 69.8 | 53% | 0.525 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.3 | 174.5 | -60.9 | 179.7 | -174.8 | -172.5 | 1 | 109.7 | D42 I43 D44 F49 | D42-R46 WeakPolarHBondContact CA-O 3.36Å; I43-R46 PolarHBondContact N-O 2.78Å; I43-R46 WeakPolarHBondContact O-CB 3.18Å; I43-R46 PolarHBondContact O-N 2.81Å; D44-R46 PolarHBondContact O-N 3.4Å; R46-F49 HydrophobicContact CB-CB 3.71Å; R46-F49 HydrophobicContact CB-CD2 3.99Å; R46-F49 HydrophobicContact CB-CG 3.86Å; R46-F49 VanDerWaalsContact CD-CD2 3.5Å; R46-F49 HydrophobicContact CG-CD2 4.41Å |
| 47 | K | 73 | Confident | 86.5 | Confident | 185 Ų | 185 | 61 Ų | 61 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.8 | 176.7 | -66.6 | -171.8 | 176.6 | -173.4 | 0 | 111.3 | D42 F49 | D42-K47 WeakPolarHBondContact OD1-CA 3.24Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 2.75Å |
| 48 | R | 69.9 | Low | 86.5 | Confident | 131 Ų | 131 | 57.6 Ų | 57.6 | 49% | 0.494 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.5 | 50.5 | -174.1 | -76.6 | -173.8 | 168.1 | -179.2 | -8 | 112.3 | N32 E33 Y40 D42 | N32-R48 HydrophobicContact CB-CG 4.29Å; N32-R48 VanDerWaalsContact OD1-CG 3.24Å; N32-R48 WeakPolarHBondContact OD1-CG 2.88Å; N32-R48 PolarHBondContact OD1-NE 2.73Å; E33-R48 IonicContact OE1-NH2 2.69Å; E33-R48 IonicContact OE2-CZ 3.2Å; E33-R48 IonicContact OE2-NH2 3.51Å; E33-R48 PolarHBondContact OE2-NH2 2.94Å; Y40-R48 HydrophobicContact CD1-CG 4.42Å; D42-R48 PolarHBondContact OD1-N 3.15Å |
| 49 | F | 75.5 | Confident | 86.2 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -39.4 | -174.3 | -173.2 | -128.7 | 0 | 0 | 0 | 112.6 | I41 I43 R46 K47 | I41-F49 PolarHBondContact O-N 3.31Å; I43-F49 HydrophobicContact CB-CD1 4.08Å; I43-F49 HydrophobicContact CD1-CD1 4.38Å; I43-F49 HydrophobicContact CG1-CD1 4.39Å; R46-F49 HydrophobicContact CB-CB 3.71Å; R46-F49 HydrophobicContact CB-CD2 3.99Å; R46-F49 HydrophobicContact CB-CG 3.86Å; R46-F49 VanDerWaalsContact CD-CD2 3.5Å; R46-F49 HydrophobicContact CG-CD2 4.41Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 2.75Å |
| 50 | W | 82 | Confident | 86 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 37% | 0.367 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.6 | 179.9 | -79.8 | 87.6 | 0 | 0 | 0 | 112.6 | L24 Y40 I41 I43 F52 | L24-W50 HydrophobicContact CD1-CD2 3.95Å; L24-W50 HydrophobicContact CD1-CE3 3.69Å; L24-W50 HydrophobicContact CD1-CH2 3.96Å; L24-W50 HydrophobicContact CD1-CZ2 4.2Å; L24-W50 HydrophobicContact CD1-CZ3 3.69Å; Y40-W50 WeakPolarHBondContact CA-O 3.37Å; I41-W50 HydrophobicContact CD1-CB 4.2Å; I41-W50 HydrophobicContact CG1-CB 3.8Å; I41-W50 PolarHBondContact N-O 3.12Å; I41-W50 PolarHBondContact O-N 2.68Å; I43-W50 VanDerWaalsContact CD1-CD1 3.47Å; I43-W50 HydrophobicContact CD1-CG 4.19Å; W50-F52 HydrophobicContact CB-CE2 4.43Å |
| 51 | C | 89.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 70.5 Ų | 70.5 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.5 | 176.4 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | I39 Y40 H59 | I39-C51 CarbonylContact O-C 3.55Å; I39-C51 WeakPolarHBondContact O-CA 3.49Å; Y40-C51 HydrophobicContact CD1-CB 4.19Å; Y40-C51 HydrophobicContact CE1-CB 4.11Å; C51-H59 PolarHBondContact SG-NE2 3.41Å |
| 52 | F | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 155.9 | 174 | -65.4 | -80 | 0 | 0 | 0 | 111 | L24 S38 I39 I41 W50 S57 H59 L67 L68 | L24-F52 HydrophobicContact CD1-CE1 3.8Å; L24-F52 HydrophobicContact CD1-CZ 3.78Å; S38-F52 CarbonylContact C-O 3.37Å; S38-F52 VanDerWaalsContact CA-O 3.29Å; S38-F52 WeakPolarHBondContact CA-O 3.33Å; I39-F52 HydrophobicContact CB-CB 4.32Å; I39-F52 PolarHBondContact N-O 2.89Å; I39-F52 PolarHBondContact O-N 3.48Å; I41-F52 HydrophobicContact CD1-CD2 4.36Å; I41-F52 HydrophobicContact CD1-CE2 3.5Å; I41-F52 HydrophobicContact CD1-CZ 4.36Å; I41-F52 HydrophobicContact CG1-CD2 4.36Å; I41-F52 HydrophobicContact CG1-CE2 3.93Å; W50-F52 HydrophobicContact CB-CE2 4.43Å; F52-S57 WeakPolarHBondContact CA-O 3.25Å; F52-H59 PolarHBondContact O-NE2 3.43Å; F52-L67 HydrophobicContact CE1-CB 3.81Å; F52-L67 HydrophobicContact CE1-CD1 4.36Å; F52-L67 HydrophobicContact CZ-CB 4.42Å; F52-L68 HydrophobicContact CD2-CB 4.24Å; F52-L68 HydrophobicContact CD2-CD1 4.37Å; F52-L68 HydrophobicContact CD2-CD2 4.15Å; F52-L68 HydrophobicContact CD2-CG 4.5Å; F52-L68 HydrophobicContact CE2-CB 4.2Å; F52-L68 HydrophobicContact CE2-CD1 4.01Å; F52-L68 HydrophobicContact CE2-CG 4.5Å; F52-L68 HydrophobicContact CG-CB 4.46Å; F52-L68 HydrophobicContact CZ-CB 4.44Å |
| 53 | T | 93.7 | Very high | 84.9 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 5% | 0.049 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 168.8 | 168.2 | 62 | 0 | 0 | 0 | 0 | 111.8 | I39 Y55 G56 S57 H59 P62 | I39-T53 WeakPolarHBondContact CD1-O 3.27Å; T53-Y55 PolarHBondContact O-N 3.07Å; T53-Y55 PolarHBondContact OG1-N 3.17Å; T53-G56 PolarHBondContact O-N 2.95Å; T53-S57 WeakPolarHBondContact CG2-O 3.09Å; T53-S57 PolarHBondContact N-O 2.95Å; T53-S57 PolarHBondContact OG1-N 3.11Å; T53-S57 PolarHBondContact OG1-O 2.8Å; T53-S57 PolarHBondContact OG1-OG 3.27Å; T53-H59 HydrophobicContact CG2-CB 4.4Å; T53-P62 HydrophobicContact CG2-CB 3.98Å |
| 54 | V | 92.9 | Very high | 84.9 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -16.9 | 171.2 | -56.5 | 0 | 0 | 0 | 0 | 115.2 | V7 V8 E36 D37 | V7-V54 WeakPolarHBondContact CB-O 3.43Å; V7-V54 PolarHBondContact N-O 2.98Å; V8-V54 HydrophobicContact CB-CG1 4.34Å; V8-V54 HydrophobicContact CG2-CB 4.29Å; V8-V54 HydrophobicContact CG2-CG1 3.98Å; E36-V54 WeakPolarHBondContact O-CG1 3.49Å; D37-V54 WeakPolarHBondContact O-CG1 3.37Å; D37-V54 PolarHBondContact O-N 3.01Å |
| 55 | Y | 91 | Very high | 85.3 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 4.9 | 178.6 | -53.7 | -57.8 | 0 | 0 | 0 | 113.4 | K4 T53 S57 V66 | K4-Y55 HydrophobicContact CB-CD1 3.61Å; K4-Y55 HydrophobicContact CB-CE1 3.58Å; K4-Y55 HydrophobicContact CB-CG 4.45Å; K4-Y55 HydrophobicContact CD-CD1 4.07Å; K4-Y55 HydrophobicContact CD-CD2 4.3Å; K4-Y55 HydrophobicContact CD-CE1 4.19Å; K4-Y55 HydrophobicContact CD-CE2 4.41Å; K4-Y55 HydrophobicContact CD-CG 4.13Å; K4-Y55 HydrophobicContact CG-CD1 4.49Å; T53-Y55 PolarHBondContact O-N 3.07Å; T53-Y55 PolarHBondContact OG1-N 3.17Å; Y55-S57 VanDerWaalsContact C-N 3.25Å; Y55-S57 PolarHBondContact O-N 2.76Å; Y55-V66 WeakPolarHBondContact O-CG2 3.29Å |
| 56 | G | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 73 | 14.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | T53 L67 L68 | T53-G56 PolarHBondContact O-N 2.95Å; G56-L67 PolarHBondContact O-N 2.98Å; G56-L68 PolarHBondContact O-N 2.97Å |
| 57 | S | 92.2 | Very high | 87 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -101.1 | 169.6 | 172.5 | 71.3 | 0 | 0 | 0 | 0 | 111 | F52 T53 Y55 F61 P62 C65 | F52-S57 WeakPolarHBondContact CA-O 3.25Å; T53-S57 WeakPolarHBondContact CG2-O 3.09Å; T53-S57 PolarHBondContact N-O 2.95Å; T53-S57 PolarHBondContact OG1-N 3.11Å; T53-S57 PolarHBondContact OG1-O 2.8Å; T53-S57 PolarHBondContact OG1-OG 3.27Å; Y55-S57 VanDerWaalsContact C-N 3.25Å; Y55-S57 PolarHBondContact O-N 2.76Å; S57-F61 PolarHBondContact OG-O 3.22Å; S57-P62 WeakPolarHBondContact OG-CA 3.41Å; S57-P62 PolarHBondContact OG-O 3.34Å; S57-P62 VanDerWaalsContact OG-O 3.08Å; S57-C65 VanDerWaalsContact CB-O 3.29Å; S57-C65 WeakPolarHBondContact CB-O 3.42Å |
| 58 | T | 90.5 | Very high | 88 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -76.1 | 151.6 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | S60 F61 L67 | T58-S60 PolarHBondContact O-N 2.76Å; T58-F61 CarbonylContact O-C 3.58Å; T58-F61 PolarHBondContact O-N 2.88Å; T58-L67 HydrophobicContact CG2-CD1 3.68Å |
| 59 | H | 87.8 | Confident | 89.2 | Confident | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.3 | 177.9 | -73.2 | -88.9 | 0 | 0 | 0 | 113.9 | C51 F52 T53 F61 P62 | C51-H59 PolarHBondContact SG-NE2 3.41Å; F52-H59 PolarHBondContact O-NE2 3.43Å; T53-H59 HydrophobicContact CG2-CB 4.4Å; H59-F61 PolarHBondContact O-N 3.05Å; H59-P62 WeakPolarHBondContact O-CD 3.44Å |
| 60 | S | 89.5 | Confident | 90.1 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.7 | 173.1 | -52.4 | 0 | 0 | 0 | 0 | 112.4 | T58 | T58-S60 PolarHBondContact O-N 2.76Š|
| 61 | F | 88.1 | Confident | 90.7 | Very high | 147 Ų | 147 | 45.9 Ų | 45.9 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | trans | -138.4 | 69.9 | -178.8 | -56 | -76.7 | 0 | 0 | 0 | 109.8 | S57 T58 H59 N63 G64 | S57-F61 PolarHBondContact OG-O 3.22Å; T58-F61 CarbonylContact O-C 3.58Å; T58-F61 PolarHBondContact O-N 2.88Å; H59-F61 PolarHBondContact O-N 3.05Å; F61-N63 PolarHBondContact O-N 2.96Å; F61-G64 WeakPolarHBondContact O-CA 3.36Å; F61-G64 PolarHBondContact O-N 3.31Å | ||
| 62 | P | 82.5 | Confident | 91 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.7 | -174.6 | 26.7 | -35.4 | 0 | 0 | 0 | 113.4 | T53 S57 H59 | T53-P62 HydrophobicContact CG2-CB 3.98Å; S57-P62 WeakPolarHBondContact OG-CA 3.41Å; S57-P62 PolarHBondContact OG-O 3.34Å; S57-P62 VanDerWaalsContact OG-O 3.08Å; H59-P62 WeakPolarHBondContact O-CD 3.44Å |
| 63 | N | 83.4 | Confident | 91 | Very high | 127 Ų | 127 | 56.2 Ų | 56.2 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 6.9 | 172.9 | -70.3 | -47.4 | 0 | 0 | 0 | 113.6 | K4 F61 | K4-N63 PolarHBondContact NZ-OD1 3.38Å; F61-N63 PolarHBondContact O-N 2.96Å |
| 64 | G | 87.2 | Confident | 91 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -75.7 | -169.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F61 | F61-G64 WeakPolarHBondContact O-CA 3.36Å; F61-G64 PolarHBondContact O-N 3.31Å |
| 65 | C | 88.9 | Confident | 91.1 | Very high | 100 Ų | 100 | 61 Ų | 61 | 68% | 0.676 | 32% | 0.316 | S | S | * | . | trans | -59.6 | 140.5 | 178.8 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | S57 L67 | S57-C65 VanDerWaalsContact CB-O 3.29Å; S57-C65 WeakPolarHBondContact CB-O 3.42Å; C65-L67 HydrophobicContact CB-CD2 4.28Å; C65-L67 PolarHBondContact O-N 3.4Å | ||
| 66 | V | 91.2 | Very high | 91.2 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -68 | 126.3 | 166 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | Y55 L68 F69 | Y55-V66 WeakPolarHBondContact O-CG2 3.29Å; V66-L68 VanDerWaalsContact CG1-O 3.25Å; V66-L68 WeakPolarHBondContact CG1-O 3.42Å; V66-F69 HydrophobicContact CB-CE1 4.4Å; V66-F69 HydrophobicContact CB-CZ 4.28Å; V66-F69 HydrophobicContact CG1-CE1 4.01Å; V66-F69 HydrophobicContact CG1-CZ 4.13Å; V66-F69 VanDerWaalsContact O-CZ 3.24Å; V66-F69 WeakPolarHBondContact O-CZ 3.39Å | ||
| 67 | L | 93.4 | Very high | 91.3 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | trans | -113.3 | -18.7 | -178.2 | -60 | 179 | 0 | 0 | 0 | 112.3 | S22 I23 L24 F52 G56 T58 C65 | S22-L67 WeakPolarHBondContact CA-O 3.33Å; I23-L67 HydrophobicContact CB-CD2 4.5Å; I23-L67 PolarHBondContact N-O 3.5Å; L24-L67 HydrophobicContact CD1-CD1 4.12Å; L24-L67 HydrophobicContact CD2-CD1 3.83Å; L24-L67 HydrophobicContact CG-CD1 3.9Å; F52-L67 HydrophobicContact CE1-CB 3.81Å; F52-L67 HydrophobicContact CE1-CD1 4.36Å; F52-L67 HydrophobicContact CZ-CB 4.42Å; G56-L67 PolarHBondContact O-N 2.98Å; T58-L67 HydrophobicContact CG2-CD1 3.68Å; C65-L67 HydrophobicContact CB-CD2 4.28Å; C65-L67 PolarHBondContact O-N 3.4Å | ||
| 68 | L | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.9 | 177.3 | -171.6 | 70.7 | 0 | 0 | 0 | 110.9 | L11 L20 I39 I41 F52 G56 V66 W77 | L11-L68 HydrophobicContact CD1-CD2 4.34Å; L20-L68 HydrophobicContact CB-CD1 4.17Å; L20-L68 HydrophobicContact CD1-CD1 4.16Å; L20-L68 HydrophobicContact CD1-CD2 4.31Å; I39-L68 HydrophobicContact CB-CD2 4.47Å; I39-L68 HydrophobicContact CD1-CD2 4.05Å; I39-L68 HydrophobicContact CG2-CD2 3.85Å; I41-L68 HydrophobicContact CD1-CD1 4.4Å; I41-L68 HydrophobicContact CG2-CD1 4.25Å; F52-L68 HydrophobicContact CD2-CB 4.24Å; F52-L68 HydrophobicContact CD2-CD1 4.37Å; F52-L68 HydrophobicContact CD2-CD2 4.15Å; F52-L68 HydrophobicContact CD2-CG 4.5Å; F52-L68 HydrophobicContact CE2-CB 4.2Å; F52-L68 HydrophobicContact CE2-CD1 4.01Å; F52-L68 HydrophobicContact CE2-CG 4.5Å; F52-L68 HydrophobicContact CG-CB 4.46Å; F52-L68 HydrophobicContact CZ-CB 4.44Å; G56-L68 PolarHBondContact O-N 2.97Å; V66-L68 VanDerWaalsContact CG1-O 3.25Å; V66-L68 WeakPolarHBondContact CG1-O 3.42Å; L68-W77 HydrophobicContact CB-CZ2 4.46Å; L68-W77 HydrophobicContact CD2-CH2 4.38Å; L68-W77 HydrophobicContact CD2-CZ2 4.24Å; L68-W77 HydrophobicContact CG-CH2 4.4Å; L68-W77 HydrophobicContact CG-CZ2 4.01Å; L68-W77 WeakPolarHBondContact O-CZ2 3.25Å; L68-W77 PolarHBondContact O-NE1 2.8Å |
| 69 | F | 95.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 10% | 0.096 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 158.6 | -179.2 | -59.1 | -81.1 | 0 | 0 | 0 | 110.9 | Y21 I23 V66 R75 | Y21-F69 HydrophobicContact CD1-CB 4.32Å; Y21-F69 HydrophobicContact CD1-CD2 4.03Å; Y21-F69 HydrophobicContact CE1-CD2 4.46Å; Y21-F69 PolarHBondContact N-O 2.87Å; Y21-F69 PolarHBondContact O-N 3.47Å; I23-F69 HydrophobicContact CD1-CD2 4.43Å; I23-F69 HydrophobicContact CD1-CE2 3.49Å; I23-F69 VanDerWaalsContact CD1-CE2 3.49Å; I23-F69 HydrophobicContact CD1-CZ 4.14Å; I23-F69 HydrophobicContact CG1-CD2 4.33Å; I23-F69 HydrophobicContact CG1-CE2 3.81Å; V66-F69 HydrophobicContact CB-CE1 4.4Å; V66-F69 HydrophobicContact CB-CZ 4.28Å; V66-F69 HydrophobicContact CG1-CE1 4.01Å; V66-F69 HydrophobicContact CG1-CZ 4.13Å; V66-F69 VanDerWaalsContact O-CZ 3.24Å; V66-F69 WeakPolarHBondContact O-CZ 3.39Å; F69-R75 HydrophobicContact CB-CB 4.45Å; F69-R75 HydrophobicContact CB-CG 4.15Å; F69-R75 HydrophobicContact CD1-CB 3.49Å; F69-R75 VanDerWaalsContact CD1-CB 3.49Å; F69-R75 HydrophobicContact CD1-CG 3.71Å; F69-R75 HydrophobicContact CE1-CB 4.04Å; F69-R75 HydrophobicContact CE1-CG 4.29Å; F69-R75 HydrophobicContact CG-CB 4.17Å; F69-R75 HydrophobicContact CG-CG 3.92Å |
| 70 | P | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -55.6 | -49.8 | 170.5 | -23.7 | 33.4 | 0 | 0 | 0 | 112.2 | L20 M74 W77 F80 Y106 | L20-P70 WeakPolarHBondContact CA-O 3.35Å; P70-M74 HydrophobicContact CB-CE 3.58Å; P70-M74 WeakPolarHBondContact CB-O 3.47Å; P70-M74 HydrophobicContact CB-SD 4.34Å; P70-M74 WeakPolarHBondContact CD-O 3.34Å; P70-M74 HydrophobicContact CG-CE 3.9Å; P70-M74 HydrophobicContact CG-SD 4.26Å; P70-W77 HydrophobicContact CG-CD2 3.99Å; P70-W77 HydrophobicContact CG-CE3 3.86Å; P70-W77 HydrophobicContact CG-CH2 4.38Å; P70-W77 HydrophobicContact CG-CZ3 4.06Å; P70-F80 HydrophobicContact CB-CB 4.04Å; P70-F80 HydrophobicContact CB-CD1 4.4Å; P70-F80 HydrophobicContact CB-CD2 3.7Å; P70-F80 HydrophobicContact CB-CE2 4.27Å; P70-F80 HydrophobicContact CB-CG 3.77Å; P70-F80 HydrophobicContact CG-CB 3.6Å; P70-F80 HydrophobicContact CG-CD1 4.28Å; P70-F80 HydrophobicContact CG-CD2 4.22Å; P70-F80 HydrophobicContact CG-CG 3.77Å; P70-Y106 HydrophobicContact CB-CD2 3.82Å; P70-Y106 HydrophobicContact CB-CE2 4.12Å; P70-Y106 WeakPolarHBondContact O-CE2 3.48Å |
| 71 | S | 94.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | trans | -150.4 | 177.8 | 173 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | Y21 E73 M74 D105 | Y21-S71 VanDerWaalsContact CB-C 3.49Å; S71-E73 VanDerWaalsContact C-N 3.28Å; S71-E73 PolarHBondContact OG-N 3.22Å; S71-M74 PolarHBondContact N-O 3.28Å; S71-M74 WeakPolarHBondContact OG-CA 3.21Å; S71-M74 WeakPolarHBondContact OG-CB 3.29Å; S71-M74 PolarHBondContact OG-N 2.97Å; S71-M74 PolarHBondContact OG-O 2.94Å; S71-D105 WeakPolarHBondContact CB-O 3.48Å; S71-D105 PolarHBondContact OG-O 2.89Å | ||
| 72 | R | 94.3 | Very high | 92.4 | Very high | 143 Ų | 143 | 51.4 Ų | 51.4 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.2 | -37.8 | 175.8 | 177.9 | -176.8 | -170.5 | 164.2 | 9.4 | 110.7 | Y21 R75 | Y21-R72 HydrophobicContact CD1-CB 4.31Å; Y21-R72 HydrophobicContact CD2-CB 3.96Å; Y21-R72 HydrophobicContact CE1-CB 4.42Å; Y21-R72 HydrophobicContact CE2-CB 4.08Å; Y21-R72 HydrophobicContact CE2-CG 4.31Å; Y21-R72 HydrophobicContact CG-CB 4.08Å; R72-R75 PolarHBondContact O-NE 3.33Å |
| 73 | E | 94.2 | Very high | 93 | Very high | 114 Ų | 114 | 54.1 Ų | 54.1 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -86.1 | -35.5 | -174.9 | -62.6 | 67 | -146.8 | 0 | 0 | 112.6 | S71 T107 | S71-E73 VanDerWaalsContact C-N 3.28Å; S71-E73 PolarHBondContact OG-N 3.22Å; E73-T107 HydrophobicContact CB-CG2 3.57Å; E73-T107 HydrophobicContact CG-CG2 4.26Å |
| 74 | M | 93.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | trans | -120.1 | 100.4 | -178.1 | -161.8 | -73.9 | -80.5 | 0 | 0 | 109.7 | P70 S71 D76 K79 F80 W101 D105 Y106 T125 | P70-M74 HydrophobicContact CB-CE 3.58Å; P70-M74 WeakPolarHBondContact CB-O 3.47Å; P70-M74 HydrophobicContact CB-SD 4.34Å; P70-M74 WeakPolarHBondContact CD-O 3.34Å; P70-M74 HydrophobicContact CG-CE 3.9Å; P70-M74 HydrophobicContact CG-SD 4.26Å; S71-M74 PolarHBondContact N-O 3.28Å; S71-M74 WeakPolarHBondContact OG-CA 3.21Å; S71-M74 WeakPolarHBondContact OG-CB 3.29Å; S71-M74 PolarHBondContact OG-N 2.97Å; S71-M74 PolarHBondContact OG-O 2.94Å; M74-D76 HydrophobicContact SD-CB 3.84Å; M74-D76 PolarHBondContact SD-N 2.93Å; M74-D76 VanDerWaalsContact SD-N 3.36Å; M74-K79 HydrophobicContact SD-CB 4.18Å; M74-F80 HydrophobicContact CE-CB 3.86Å; M74-F80 HydrophobicContact CE-CD2 3.97Å; M74-F80 HydrophobicContact CE-CG 4.36Å; M74-W101 HydrophobicContact CE-CH2 4.29Å; M74-W101 HydrophobicContact CE-CZ2 4.44Å; M74-D105 WeakPolarHBondContact CB-O 3.31Å; M74-Y106 VanDerWaalsContact CE-CB 3.46Å; M74-Y106 HydrophobicContact CE-CD2 4.12Å; M74-Y106 HydrophobicContact CE-CG 4.02Å; M74-T125 HydrophobicContact CG-CG2 4.3Å | ||
| 75 | R | 93.7 | Very high | 94 | Very high | 122 Ų | 122 | 52.1 Ų | 52.1 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | trans | -99.8 | 8 | -175.3 | -64.3 | -172.8 | -171.8 | -164.4 | -2.5 | 114 | F69 R72 | F69-R75 HydrophobicContact CB-CB 4.45Å; F69-R75 HydrophobicContact CB-CG 4.15Å; F69-R75 HydrophobicContact CD1-CB 3.49Å; F69-R75 VanDerWaalsContact CD1-CB 3.49Å; F69-R75 HydrophobicContact CD1-CG 3.71Å; F69-R75 HydrophobicContact CE1-CB 4.04Å; F69-R75 HydrophobicContact CE1-CG 4.29Å; F69-R75 HydrophobicContact CG-CB 4.17Å; F69-R75 HydrophobicContact CG-CG 3.92Å; R72-R75 PolarHBondContact O-NE 3.33Å | ||
| 76 | D | 93.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | trans | -97 | 104.7 | -171.3 | -171.9 | -26.7 | 0 | 0 | 0 | 110.7 | M74 E78 K79 F80 | M74-D76 HydrophobicContact SD-CB 3.84Å; M74-D76 PolarHBondContact SD-N 2.93Å; M74-D76 VanDerWaalsContact SD-N 3.36Å; D76-E78 VanDerWaalsContact C-N 3.29Å; D76-E78 PolarHBondContact O-N 2.78Å; D76-E78 WeakPolarHBondContact OD1-CA 3.36Å; D76-E78 VanDerWaalsContact OD1-CB 3.28Å; D76-E78 WeakPolarHBondContact OD1-CB 3.43Å; D76-E78 PolarHBondContact OD1-N 3.37Å; D76-K79 HydrophobicContact CB-CB 4.14Å; D76-K79 HydrophobicContact CB-CD 4.18Å; D76-K79 HydrophobicContact CB-CG 4.07Å; D76-K79 PolarHBondContact O-N 2.84Å; D76-K79 PolarHBondContact OD1-N 2.85Å; D76-K79 VanDerWaalsContact OD1-N 3.1Å; D76-K79 WeakPolarHBondContact OD2-CE 3.49Å; D76-K79 WeakPolarHBondContact OD2-CG 3.4Å; D76-F80 PolarHBondContact O-N 3.21Å | ||
| 77 | W | 93.5 | Very high | 94.7 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -30.8 | 177.9 | -74.9 | 109.5 | 0 | 0 | 0 | 113 | I5 V7 I10 L11 L20 L68 P70 K79 F80 S81 | I5-W77 HydrophobicContact CD1-CB 4.15Å; I5-W77 HydrophobicContact CG2-CB 3.96Å; V7-W77 HydrophobicContact CB-CD2 4.47Å; V7-W77 HydrophobicContact CG1-CD2 3.89Å; V7-W77 HydrophobicContact CG1-CE3 3.85Å; V7-W77 HydrophobicContact CG1-CH2 3.45Å; V7-W77 VanDerWaalsContact CG1-CH2 3.45Å; V7-W77 HydrophobicContact CG1-CZ2 3.46Å; V7-W77 VanDerWaalsContact CG1-CZ2 3.46Å; V7-W77 HydrophobicContact CG1-CZ3 3.64Å; V7-W77 HydrophobicContact CG2-CD2 3.9Å; V7-W77 HydrophobicContact CG2-CG 4Å; V7-W77 HydrophobicContact CG2-CZ2 4.31Å; I10-W77 HydrophobicContact CD1-CB 3.89Å; I10-W77 HydrophobicContact CD1-CE3 4.36Å; I10-W77 WeakPolarHBondContact CD1-O 3.33Å; I10-W77 HydrophobicContact CG2-CE3 4.39Å; L11-W77 HydrophobicContact CD1-CH2 4.14Å; L11-W77 HydrophobicContact CD1-CZ3 4.4Å; L11-W77 HydrophobicContact CD2-CH2 4.17Å; L11-W77 HydrophobicContact CD2-CZ3 3.84Å; L11-W77 HydrophobicContact CG-CH2 4.36Å; L11-W77 HydrophobicContact CG-CZ3 4.11Å; L20-W77 HydrophobicContact CD2-CH2 4.04Å; L68-W77 HydrophobicContact CB-CZ2 4.46Å; L68-W77 HydrophobicContact CD2-CH2 4.38Å; L68-W77 HydrophobicContact CD2-CZ2 4.24Å; L68-W77 HydrophobicContact CG-CH2 4.4Å; L68-W77 HydrophobicContact CG-CZ2 4.01Å; L68-W77 WeakPolarHBondContact O-CZ2 3.25Å; L68-W77 PolarHBondContact O-NE1 2.8Å; P70-W77 HydrophobicContact CG-CD2 3.99Å; P70-W77 HydrophobicContact CG-CE3 3.86Å; P70-W77 HydrophobicContact CG-CH2 4.38Å; P70-W77 HydrophobicContact CG-CZ3 4.06Å; W77-K79 VanDerWaalsContact C-N 3.34Å; W77-F80 HydrophobicContact CE3-CB 4.28Å; W77-F80 AromaticContact CE3-CD1 3.78Å; W77-F80 HydrophobicContact CE3-CD1 3.78Å; W77-F80 HydrophobicContact CE3-CG 4.39Å; W77-F80 AromaticContact CZ3-CD1 3.57Å; W77-F80 HydrophobicContact CZ3-CD1 3.57Å; W77-F80 AromaticContact CZ3-CE1 3.99Å; W77-F80 HydrophobicContact CZ3-CE1 3.99Å; W77-F80 HydrophobicContact CZ3-CG 4.43Å; W77-F80 PolarHBondContact O-N 2.91Å; W77-S81 PolarHBondContact O-N 3.41Å |
| 78 | E | 92.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 49% | 0.486 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 177 | -170.7 | 178.9 | 170.6 | 0 | 0 | 110.1 | I5 D76 S81 | I5-E78 HydrophobicContact CD1-CB 4.03Å; D76-E78 VanDerWaalsContact C-N 3.29Å; D76-E78 PolarHBondContact O-N 2.78Å; D76-E78 WeakPolarHBondContact OD1-CA 3.36Å; D76-E78 VanDerWaalsContact OD1-CB 3.28Å; D76-E78 WeakPolarHBondContact OD1-CB 3.43Å; D76-E78 PolarHBondContact OD1-N 3.37Å; E78-S81 WeakPolarHBondContact O-CB 3.39Å; E78-S81 PolarHBondContact O-N 3.35Å; E78-S81 PolarHBondContact O-OG 2.99Å |
| 79 | K | 95.1 | Very high | 94.9 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 14% | 0.143 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 173.7 | -62.7 | -172.1 | -174.1 | -168.1 | 0 | 112.5 | M74 D76 W77 S81 W82 W101 T125 E126 W128 | M74-K79 HydrophobicContact SD-CB 4.18Å; D76-K79 HydrophobicContact CB-CB 4.14Å; D76-K79 HydrophobicContact CB-CD 4.18Å; D76-K79 HydrophobicContact CB-CG 4.07Å; D76-K79 PolarHBondContact O-N 2.84Å; D76-K79 PolarHBondContact OD1-N 2.85Å; D76-K79 VanDerWaalsContact OD1-N 3.1Å; D76-K79 WeakPolarHBondContact OD2-CE 3.49Å; D76-K79 WeakPolarHBondContact OD2-CG 3.4Å; W77-K79 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 3.16Å; K79-S81 VanDerWaalsContact O-N 3.15Å; K79-W82 HydrophobicContact CB-CD2 4.48Å; K79-W82 HydrophobicContact CB-CH2 4.22Å; K79-W82 HydrophobicContact CB-CZ2 3.88Å; K79-W82 HydrophobicContact CD-CH2 4.09Å; K79-W82 HydrophobicContact CD-CZ2 4.03Å; K79-W82 HydrophobicContact CG-CH2 4.06Å; K79-W82 HydrophobicContact CG-CZ2 3.55Å; K79-W82 WeakPolarHBondContact O-CB 3.16Å; K79-W82 VanDerWaalsContact O-CD2 3.25Å; K79-W82 PolarHBondContact O-N 3.48Å; K79-W82 VanDerWaalsContact O-N 3.16Å; K79-W101 WeakPolarHBondContact O-CZ2 3.41Å; K79-T125 HydrophobicContact CB-CG2 4.32Å; K79-T125 HydrophobicContact CD-CG2 3.76Å; K79-T125 PolarHBondContact NZ-O 3.49Å; K79-E126 PolarHBondContact NZ-O 2.64Å; K79-W128 WeakPolarHBondContact CE-O 3.33Å; K79-W128 PolarHBondContact NZ-O 2.76Å; K79-W128 VanDerWaalsContact NZ-O 3.13Å |
| 80 | F | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -25.6 | 176.3 | -165.5 | -120.6 | 0 | 0 | 0 | 113.9 | I10 L11 K14 T18 P70 M74 D76 W77 W82 Y106 | I10-F80 HydrophobicContact CG2-CD1 3.73Å; I10-F80 HydrophobicContact CG2-CE1 4.36Å; L11-F80 HydrophobicContact CD2-CE1 3.88Å; K14-F80 HydrophobicContact CD-CE1 4.21Å; K14-F80 HydrophobicContact CD-CZ 4.25Å; K14-F80 HydrophobicContact CG-CE1 4.28Å; K14-F80 PolarHBondContact NZ-O 2.84Å; K14-F80 VanDerWaalsContact NZ-O 3.13Å; T18-F80 HydrophobicContact CG2-CZ 4.05Å; P70-F80 HydrophobicContact CB-CB 4.04Å; P70-F80 HydrophobicContact CB-CD1 4.4Å; P70-F80 HydrophobicContact CB-CD2 3.7Å; P70-F80 HydrophobicContact CB-CE2 4.27Å; P70-F80 HydrophobicContact CB-CG 3.77Å; P70-F80 HydrophobicContact CG-CB 3.6Å; P70-F80 HydrophobicContact CG-CD1 4.28Å; P70-F80 HydrophobicContact CG-CD2 4.22Å; P70-F80 HydrophobicContact CG-CG 3.77Å; M74-F80 HydrophobicContact CE-CB 3.86Å; M74-F80 HydrophobicContact CE-CD2 3.97Å; M74-F80 HydrophobicContact CE-CG 4.36Å; D76-F80 PolarHBondContact O-N 3.21Å; W77-F80 HydrophobicContact CE3-CB 4.28Å; W77-F80 AromaticContact CE3-CD1 3.78Å; W77-F80 HydrophobicContact CE3-CD1 3.78Å; W77-F80 HydrophobicContact CE3-CG 4.39Å; W77-F80 AromaticContact CZ3-CD1 3.57Å; W77-F80 HydrophobicContact CZ3-CD1 3.57Å; W77-F80 AromaticContact CZ3-CE1 3.99Å; W77-F80 HydrophobicContact CZ3-CE1 3.99Å; W77-F80 HydrophobicContact CZ3-CG 4.43Å; W77-F80 PolarHBondContact O-N 2.91Å; F80-W82 PolarHBondContact O-N 3.02Å; F80-Y106 HydrophobicContact CD2-CD1 4.35Å; F80-Y106 HydrophobicContact CD2-CD2 4.03Å; F80-Y106 HydrophobicContact CD2-CE1 4.42Å; F80-Y106 HydrophobicContact CD2-CE2 4.08Å; F80-Y106 HydrophobicContact CD2-CG 4.16Å; F80-Y106 HydrophobicContact CE2-CD1 4.04Å; F80-Y106 AromaticContact CE2-CD2 3.92Å; F80-Y106 HydrophobicContact CE2-CD2 3.92Å; F80-Y106 AromaticContact CE2-CE1 3.67Å; F80-Y106 HydrophobicContact CE2-CE1 3.67Å; F80-Y106 AromaticContact CE2-CE2 3.52Å; F80-Y106 HydrophobicContact CE2-CE2 3.52Å; F80-Y106 HydrophobicContact CE2-CG 4.16Å; F80-Y106 AromaticContact CE2-CZ 3.4Å; F80-Y106 HydrophobicContact CZ-CE2 4.31Å |
| 81 | S | 94.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 49 Ų | 49 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.5 | -179.4 | 83 | 0 | 0 | 0 | 0 | 114.2 | W77 E78 K79 K83 | W77-S81 PolarHBondContact O-N 3.41Å; E78-S81 WeakPolarHBondContact O-CB 3.39Å; E78-S81 PolarHBondContact O-N 3.35Å; E78-S81 PolarHBondContact O-OG 2.99Å; K79-S81 PolarHBondContact O-N 3.16Å; K79-S81 VanDerWaalsContact O-N 3.15Å; S81-K83 WeakPolarHBondContact O-CG 3.26Å; S81-K83 PolarHBondContact O-N 3.39Å |
| 82 | W | 95.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | trans | -55.8 | 134.9 | -179.8 | -62.6 | -13.6 | 0 | 0 | 0 | 112 | K79 F80 D86 L88 F98 W101 F109 T125 W128 | K79-W82 HydrophobicContact CB-CD2 4.48Å; K79-W82 HydrophobicContact CB-CH2 4.22Å; K79-W82 HydrophobicContact CB-CZ2 3.88Å; K79-W82 HydrophobicContact CD-CH2 4.09Å; K79-W82 HydrophobicContact CD-CZ2 4.03Å; K79-W82 HydrophobicContact CG-CH2 4.06Å; K79-W82 HydrophobicContact CG-CZ2 3.55Å; K79-W82 WeakPolarHBondContact O-CB 3.16Å; K79-W82 VanDerWaalsContact O-CD2 3.25Å; K79-W82 PolarHBondContact O-N 3.48Å; K79-W82 VanDerWaalsContact O-N 3.16Å; F80-W82 PolarHBondContact O-N 3.02Å; W82-D86 WeakPolarHBondContact CA-OD2 3.44Å; W82-L88 HydrophobicContact CD2-CD1 4.08Å; W82-L88 HydrophobicContact CD2-CD2 3.74Å; W82-L88 HydrophobicContact CE3-CD1 3.67Å; W82-L88 HydrophobicContact CE3-CD2 4.22Å; W82-L88 HydrophobicContact CG-CD2 4.06Å; W82-L88 HydrophobicContact CH2-CD1 4.09Å; W82-L88 HydrophobicContact CZ2-CD1 4.45Å; W82-L88 HydrophobicContact CZ2-CD2 4.06Å; W82-L88 HydrophobicContact CZ3-CD1 3.68Å; W82-F98 HydrophobicContact CB-CD1 4.26Å; W82-F98 HydrophobicContact CB-CD2 4.19Å; W82-F98 HydrophobicContact CB-CE1 4.29Å; W82-F98 HydrophobicContact CB-CE2 4.21Å; W82-F98 HydrophobicContact CB-CG 4.19Å; W82-F98 HydrophobicContact CB-CZ 4.26Å; W82-F98 AromaticContact CE3-CD2 3.8Å; W82-F98 HydrophobicContact CE3-CD2 3.8Å; W82-F98 AromaticContact CE3-CE2 3.89Å; W82-F98 HydrophobicContact CE3-CE2 3.89Å; W82-W101 AromaticContact CE3-CH2 3.8Å; W82-W101 HydrophobicContact CE3-CH2 3.8Å; W82-W101 HydrophobicContact CE3-CZ2 4.19Å; W82-W101 HydrophobicContact CZ3-CH2 4.01Å; W82-W101 HydrophobicContact CZ3-CZ3 4.48Å; W82-F109 HydrophobicContact CZ3-CD1 4.03Å; W82-F109 HydrophobicContact CZ3-CE1 4.11Å; W82-F109 HydrophobicContact CZ3-CG 4.49Å; W82-T125 HydrophobicContact CH2-CG2 3.96Å; W82-T125 HydrophobicContact CZ3-CG2 3.92Å; W82-W128 HydrophobicContact CH2-CB 3.87Å | ||
| 83 | K | 94.2 | Very high | 93 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | trans | -119 | 155 | 179.7 | -58.7 | -171.8 | 176.8 | -172.1 | 0 | 109.9 | D13 S81 G85 D86 F98 | D13-K83 IonicContact OD2-NZ 3.83Å; D13-K83 PolarHBondContact OD2-NZ 3.32Å; S81-K83 WeakPolarHBondContact O-CG 3.26Å; S81-K83 PolarHBondContact O-N 3.39Å; K83-G85 PolarHBondContact O-N 3.36Å; K83-D86 PolarHBondContact N-OD2 3.39Å; K83-D86 VanDerWaalsContact O-CB 3.25Å; K83-D86 WeakPolarHBondContact O-CB 3.46Å; K83-D86 PolarHBondContact O-N 3.39Å; K83-F98 WeakPolarHBondContact O-CD1 3.32Å | ||
| 84 | R | 95.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 52.1 Ų | 52.1 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 126.8 | 173.9 | -173.9 | -177.2 | -178.6 | 90.2 | -1.1 | 109.4 | F98 E99 A155 T156 L157 | R84-F98 WeakPolarHBondContact CA-O 3.44Å; R84-E99 VanDerWaalsContact NH1-CG 3.27Å; R84-E99 IonicContact NH1-OE1 3.76Å; R84-A155 VanDerWaalsContact CD-O 3.28Å; R84-A155 WeakPolarHBondContact CD-O 3.31Å; R84-A155 PolarHBondContact NE-O 3.42Å; R84-T156 PolarHBondContact NH2-O 2.97Å; R84-L157 HydrophobicContact CG-CD1 3.67Å; R84-L157 HydrophobicContact CG-CG 3.97Å |
| 85 | G | 96.2 | Very high | 92.9 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -8.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K83 F98 | K83-G85 PolarHBondContact O-N 3.36Å; G85-F98 PolarHBondContact N-O 2.85Å |
| 86 | D | 97.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | trans | -65.7 | 135.2 | 172.3 | -78.5 | -22.6 | 0 | 0 | 0 | 110.8 | W82 K83 I97 F98 K130 | W82-D86 WeakPolarHBondContact CA-OD2 3.44Å; K83-D86 PolarHBondContact N-OD2 3.39Å; K83-D86 VanDerWaalsContact O-CB 3.25Å; K83-D86 WeakPolarHBondContact O-CB 3.46Å; K83-D86 PolarHBondContact O-N 3.39Å; D86-I97 WeakPolarHBondContact O-CA 3.5Å; D86-F98 HydrophobicContact CB-CB 4.4Å; D86-F98 PolarHBondContact O-N 2.71Å; D86-K130 VanDerWaalsContact CG-CE 3.43Å; D86-K130 VanDerWaalsContact OD1-CE 3.26Å; D86-K130 WeakPolarHBondContact OD1-CE 3.44Å; D86-K130 IonicContact OD1-NZ 3.53Å; D86-K130 PolarHBondContact OD1-NZ 2.74Å; D86-K130 WeakPolarHBondContact OD2-CE 3.23Å; D86-K130 IonicContact OD2-NZ 2.77Å; D86-K130 PolarHBondContact OD2-NZ 2.56Å | ||
| 87 | V | 96.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 109 | I95 C96 I97 E131 I137 Y140 | V87-I95 HydrophobicContact CG1-CG2 3.41Å; V87-I95 VanDerWaalsContact CG1-CG2 3.41Å; V87-C96 WeakPolarHBondContact CA-O 3.37Å; V87-I97 HydrophobicContact CG2-CG1 4.41Å; V87-E131 HydrophobicContact CB-CB 4.34Å; V87-E131 HydrophobicContact CG1-CB 4.04Å; V87-E131 PolarHBondContact O-N 2.88Å; V87-I137 HydrophobicContact CB-CG1 4.21Å; V87-I137 HydrophobicContact CG2-CG1 4.32Å; V87-I137 HydrophobicContact CG2-CG2 3.94Å; V87-Y140 HydrophobicContact CG1-CD1 3.74Å; V87-Y140 HydrophobicContact CG1-CE1 3.92Å; V87-Y140 HydrophobicContact CG2-CD1 4.06Å; V87-Y140 HydrophobicContact CG2-CE1 4.23Å |
| 88 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.4 | 179.7 | -52.9 | -176.5 | 0 | 0 | 0 | 110.7 | W82 I95 C96 F98 F109 W128 S129 K130 | W82-L88 HydrophobicContact CD2-CD1 4.08Å; W82-L88 HydrophobicContact CD2-CD2 3.74Å; W82-L88 HydrophobicContact CE3-CD1 3.67Å; W82-L88 HydrophobicContact CE3-CD2 4.22Å; W82-L88 HydrophobicContact CG-CD2 4.06Å; W82-L88 HydrophobicContact CH2-CD1 4.09Å; W82-L88 HydrophobicContact CZ2-CD1 4.45Å; W82-L88 HydrophobicContact CZ2-CD2 4.06Å; W82-L88 HydrophobicContact CZ3-CD1 3.68Å; L88-I95 VanDerWaalsContact O-CA 3.29Å; L88-I95 WeakPolarHBondContact O-CA 3.49Å; L88-I95 WeakPolarHBondContact O-CG2 3.44Å; L88-C96 PolarHBondContact N-O 3.14Å; L88-C96 PolarHBondContact O-N 3.29Å; L88-F98 HydrophobicContact CD1-CB 3.86Å; L88-F98 HydrophobicContact CD1-CD2 3.94Å; L88-F98 HydrophobicContact CD1-CG 4.36Å; L88-F98 HydrophobicContact CG-CB 4.1Å; L88-F109 HydrophobicContact CD1-CD2 4.09Å; L88-F109 HydrophobicContact CD1-CE1 4.43Å; L88-F109 HydrophobicContact CD1-CE2 3.55Å; L88-F109 HydrophobicContact CD1-CZ 3.74Å; L88-W128 HydrophobicContact CB-CE3 3.66Å; L88-W128 HydrophobicContact CB-CZ3 4.26Å; L88-W128 WeakPolarHBondContact O-CZ3 3.39Å; L88-S129 CarbonylContact C-O 3.46Å; L88-S129 VanDerWaalsContact CA-O 3.3Å; L88-S129 WeakPolarHBondContact CA-O 3.08Å; L88-K130 HydrophobicContact CD2-CB 4.3Å |
| 89 | M | 95.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 19% | 0.192 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.6 | 179.2 | -171.4 | 179.5 | -70.2 | 0 | 0 | 112.5 | G91 N94 I95 W128 S129 E131 V136 | M89-G91 WeakPolarHBondContact CG-O 3.39Å; M89-G91 VanDerWaalsContact SD-O 3.4Å; M89-N94 CarbonylContact C-O 3.52Å; M89-N94 VanDerWaalsContact CA-O 3.28Å; M89-N94 WeakPolarHBondContact CA-O 3.49Å; M89-I95 HydrophobicContact CE-CD1 3.69Å; M89-I95 HydrophobicContact CE-CG1 3.87Å; M89-I95 HydrophobicContact CG-CG1 4.33Å; M89-W128 VanDerWaalsContact C-CE3 3.45Å; M89-W128 WeakPolarHBondContact O-CA 3.21Å; M89-S129 PolarHBondContact N-O 2.79Å; M89-S129 PolarHBondContact O-N 2.75Å; M89-S129 PolarHBondContact O-OG 3.04Å; M89-E131 HydrophobicContact CE-CG 4.49Å; M89-E131 WeakPolarHBondContact CE-OE2 3.14Å; M89-V136 HydrophobicContact CE-CG1 3.89Å |
| 90 | A | 93.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | trans | -131.1 | 80 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N94 K127 W128 | A90-N94 HydrophobicContact CB-CB 4.14Å; A90-N94 PolarHBondContact N-O 2.73Å; A90-N94 VanDerWaalsContact O-CB 3.31Å; A90-N94 WeakPolarHBondContact O-CB 3.48Å; A90-N94 PolarHBondContact O-ND2 3.19Å; A90-K127 WeakPolarHBondContact CB-O 3.37Å; A90-W128 HydrophobicContact CB-CD2 3.58Å; A90-W128 HydrophobicContact CB-CE3 3.83Å; A90-W128 HydrophobicContact CB-CG 4.02Å; A90-W128 HydrophobicContact CB-CH2 4.22Å; A90-W128 HydrophobicContact CB-CZ2 3.98Å; A90-W128 HydrophobicContact CB-CZ3 4.13Å | ||
| 91 | G | 86.5 | Confident | 93.8 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 77.1 | -158.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M89 | M89-G91 WeakPolarHBondContact CG-O 3.39Å; M89-G91 VanDerWaalsContact SD-O 3.4Å |
| 92 | V | 79.2 | Confident | 93.8 | Very high | 125 Ų | 125 | 47.8 Ų | 47.8 | 76% | 0.758 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -76.3 | 131.2 | -177 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | N94 | V92-N94 PolarHBondContact O-N 2.97Š|
| 93 | D | 78.7 | Confident | 93.8 | Very high | 123 Ų | 123 | 49.5 Ų | 49.5 | 66% | 0.658 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 62.6 | 2.5 | 174.2 | -58.7 | -35.5 | 0 | 0 | 0 | 118.2 | I95 T115 | D93-I95 PolarHBondContact O-N 3.17Å; D93-T115 WeakPolarHBondContact O-CB 3.26Å; D93-T115 PolarHBondContact O-OG1 2.85Å |
| 94 | N | 91.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 50 Ų | 50 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | trans | -93.4 | 95.6 | 169.8 | -59.8 | -55.7 | 0 | 0 | 0 | 109.3 | M89 A90 V92 W128 | M89-N94 CarbonylContact C-O 3.52Å; M89-N94 VanDerWaalsContact CA-O 3.28Å; M89-N94 WeakPolarHBondContact CA-O 3.49Å; A90-N94 HydrophobicContact CB-CB 4.14Å; A90-N94 PolarHBondContact N-O 2.73Å; A90-N94 VanDerWaalsContact O-CB 3.31Å; A90-N94 WeakPolarHBondContact O-CB 3.48Å; A90-N94 PolarHBondContact O-ND2 3.19Å; V92-N94 PolarHBondContact O-N 2.97Å; N94-W128 HydrophobicContact CB-CH2 4.27Å; N94-W128 WeakPolarHBondContact O-CZ3 3.35Å | ||
| 95 | I | 95.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.087 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138 | -176.4 | -48.8 | 178.6 | 0 | 0 | 0 | 109 | V87 L88 M89 D93 A114 T115 V136 Y140 | V87-I95 HydrophobicContact CG1-CG2 3.41Å; V87-I95 VanDerWaalsContact CG1-CG2 3.41Å; L88-I95 VanDerWaalsContact O-CA 3.29Å; L88-I95 WeakPolarHBondContact O-CA 3.49Å; L88-I95 WeakPolarHBondContact O-CG2 3.44Å; M89-I95 HydrophobicContact CE-CD1 3.69Å; M89-I95 HydrophobicContact CE-CG1 3.87Å; M89-I95 HydrophobicContact CG-CG1 4.33Å; D93-I95 PolarHBondContact O-N 3.17Å; I95-A114 WeakPolarHBondContact O-CA 3.48Å; I95-T115 HydrophobicContact CB-CG2 4.36Å; I95-T115 PolarHBondContact N-OG1 2.86Å; I95-T115 PolarHBondContact O-N 3.25Å; I95-T115 PolarHBondContact O-OG1 2.94Å; I95-V136 HydrophobicContact CD1-CG1 4.43Å; I95-Y140 HydrophobicContact CB-CD2 4.07Å; I95-Y140 HydrophobicContact CB-CE2 3.88Å; I95-Y140 HydrophobicContact CB-CG 4.49Å; I95-Y140 HydrophobicContact CD1-CD2 4.38Å; I95-Y140 HydrophobicContact CG2-CD1 3.66Å; I95-Y140 HydrophobicContact CG2-CD2 3.83Å; I95-Y140 HydrophobicContact CG2-CE1 3.55Å; I95-Y140 HydrophobicContact CG2-CE2 3.76Å; I95-Y140 HydrophobicContact CG2-CG 3.78Å; I95-Y140 PolarHBondContact O-OH 2.97Å |
| 96 | C | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 172.9 | 174.9 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | V87 L88 A111 A114 F123 W128 Y140 | V87-C96 WeakPolarHBondContact CA-O 3.37Å; L88-C96 PolarHBondContact N-O 3.14Å; L88-C96 PolarHBondContact O-N 3.29Å; C96-A111 HydrophobicContact CB-CB 3.83Å; C96-A111 WeakPolarHBondContact SG-CB 3.19Å; C96-A114 HydrophobicContact CB-CB 3.99Å; C96-F123 HydrophobicContact CB-CE2 4.38Å; C96-W128 HydrophobicContact CB-CH2 4.14Å; C96-W128 HydrophobicContact CB-CZ3 4.15Å; C96-W128 WeakPolarHBondContact SG-CZ3 3.35Å; C96-Y140 VanDerWaalsContact CA-OH 3.22Å; C96-Y140 WeakPolarHBondContact CA-OH 3.25Å |
| 97 | I | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.4 | 171.4 | -59 | -172.4 | 0 | 0 | 0 | 109.2 | D86 V87 E99 A111 I112 F113 Y140 I144 L152 L154 L157 | D86-I97 WeakPolarHBondContact O-CA 3.5Å; V87-I97 HydrophobicContact CG2-CG1 4.41Å; I97-E99 PolarHBondContact O-N 2.77Å; I97-A111 CarbonylContact O-C 3.58Å; I97-A111 WeakPolarHBondContact O-CA 3.42Å; I97-A111 WeakPolarHBondContact O-CB 2.96Å; I97-I112 HydrophobicContact CB-CG1 4.16Å; I97-I112 PolarHBondContact N-O 3.46Å; I97-I112 PolarHBondContact O-N 2.77Å; I97-F113 HydrophobicContact CD1-CD2 3.98Å; I97-F113 HydrophobicContact CG1-CD2 4.47Å; I97-Y140 HydrophobicContact CD1-CE1 4.13Å; I97-Y140 HydrophobicContact CG1-CE1 3.69Å; I97-I144 HydrophobicContact CD1-CD1 3.79Å; I97-I144 HydrophobicContact CG1-CD1 4.42Å; I97-L152 HydrophobicContact CD1-CD2 3.54Å; I97-L154 HydrophobicContact CD1-CD2 4.03Å; I97-L157 HydrophobicContact CG2-CD2 3.66Å |
| 98 | F | 97.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 127.7 | 177.1 | -178.6 | -93 | 0 | 0 | 0 | 110.7 | W82 K83 R84 G85 D86 L88 K100 W101 F109 | W82-F98 HydrophobicContact CB-CD1 4.26Å; W82-F98 HydrophobicContact CB-CD2 4.19Å; W82-F98 HydrophobicContact CB-CE1 4.29Å; W82-F98 HydrophobicContact CB-CE2 4.21Å; W82-F98 HydrophobicContact CB-CG 4.19Å; W82-F98 HydrophobicContact CB-CZ 4.26Å; W82-F98 AromaticContact CE3-CD2 3.8Å; W82-F98 HydrophobicContact CE3-CD2 3.8Å; W82-F98 AromaticContact CE3-CE2 3.89Å; W82-F98 HydrophobicContact CE3-CE2 3.89Å; K83-F98 WeakPolarHBondContact O-CD1 3.32Å; R84-F98 WeakPolarHBondContact CA-O 3.44Å; G85-F98 PolarHBondContact N-O 2.85Å; D86-F98 HydrophobicContact CB-CB 4.4Å; D86-F98 PolarHBondContact O-N 2.71Å; L88-F98 HydrophobicContact CD1-CB 3.86Å; L88-F98 HydrophobicContact CD1-CD2 3.94Å; L88-F98 HydrophobicContact CD1-CG 4.36Å; L88-F98 HydrophobicContact CG-CB 4.1Å; F98-K100 VanDerWaalsContact CZ-C 3.47Å; F98-W101 HydrophobicContact CE2-CD2 4.23Å; F98-W101 HydrophobicContact CE2-CE3 4.46Å; F98-W101 HydrophobicContact CE2-CZ2 4.38Å; F98-W101 HydrophobicContact CZ-CD2 4.13Å; F98-W101 AromaticContact CZ-CE2 3.95Å; F98-W101 HydrophobicContact CZ-CG 4.2Å; F98-W101 HydrophobicContact CZ-CZ2 4.46Å; F98-W101 AromaticContact CZ-NE1 3.9Å; F98-F109 HydrophobicContact CD2-CB 4.04Å; F98-F109 AromaticContact CD2-CD2 3.85Å; F98-F109 HydrophobicContact CD2-CD2 3.85Å; F98-F109 HydrophobicContact CD2-CG 4.13Å; F98-F109 HydrophobicContact CE2-CB 3.65Å; F98-F109 HydrophobicContact CE2-CD2 4.36Å; F98-F109 HydrophobicContact CE2-CG 4.21Å |
| 99 | E | 97.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -56 | 175.1 | -173.6 | -176.1 | -160.6 | 0 | 0 | 111.1 | R84 I97 K110 L157 | R84-E99 VanDerWaalsContact NH1-CG 3.27Å; R84-E99 IonicContact NH1-OE1 3.76Å; I97-E99 PolarHBondContact O-N 2.77Å; E99-K110 HydrophobicContact CB-CB 4.41Å; E99-K110 WeakPolarHBondContact CB-O 3.29Å; E99-K110 PolarHBondContact N-O 2.81Å; E99-L157 HydrophobicContact CB-CD1 4.11Å; E99-L157 HydrophobicContact CG-CD1 4Å |
| 100 | K | 95.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 53.2 Ų | 53.2 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | 166 | -178.2 | 59.7 | -179.1 | 179 | -177.5 | 0 | 111.5 | F98 K110 | F98-K100 VanDerWaalsContact CZ-C 3.47Å; K100-K110 HydrophobicContact CG-CB 4.22Å; K100-K110 PolarHBondContact N-O 3.39Å; K100-K110 PolarHBondContact O-N 2.81Å |
| 101 | W | 95.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 143.6 | 166.8 | -64.8 | 110.1 | 0 | 0 | 0 | 111.6 | M74 K79 W82 F98 Y106 F109 T125 | M74-W101 HydrophobicContact CE-CH2 4.29Å; M74-W101 HydrophobicContact CE-CZ2 4.44Å; K79-W101 WeakPolarHBondContact O-CZ2 3.41Å; W82-W101 AromaticContact CE3-CH2 3.8Å; W82-W101 HydrophobicContact CE3-CH2 3.8Å; W82-W101 HydrophobicContact CE3-CZ2 4.19Å; W82-W101 HydrophobicContact CZ3-CH2 4.01Å; W82-W101 HydrophobicContact CZ3-CZ3 4.48Å; F98-W101 HydrophobicContact CE2-CD2 4.23Å; F98-W101 HydrophobicContact CE2-CE3 4.46Å; F98-W101 HydrophobicContact CE2-CZ2 4.38Å; F98-W101 HydrophobicContact CZ-CD2 4.13Å; F98-W101 AromaticContact CZ-CE2 3.95Å; F98-W101 HydrophobicContact CZ-CG 4.2Å; F98-W101 HydrophobicContact CZ-CZ2 4.46Å; F98-W101 AromaticContact CZ-NE1 3.9Å; W101-Y106 HydrophobicContact CB-CD1 4.2Å; W101-Y106 AromaticContact CD1-CD1 3.93Å; W101-Y106 AromaticContact CD2-CD1 3.64Å; W101-Y106 HydrophobicContact CD2-CD1 3.64Å; W101-Y106 HydrophobicContact CD2-CG 4.33Å; W101-Y106 AromaticContact CE2-CD1 3.96Å; W101-Y106 HydrophobicContact CE3-CD1 4.1Å; W101-Y106 HydrophobicContact CE3-CG 4.48Å; W101-Y106 AromaticContact CG-CD1 3.66Å; W101-Y106 HydrophobicContact CG-CD1 3.66Å; W101-Y106 HydrophobicContact CG-CE1 4.19Å; W101-Y106 VanDerWaalsContact CZ3-O 3.24Å; W101-Y106 WeakPolarHBondContact CZ3-O 3.48Å; W101-F109 HydrophobicContact CE3-CB 4.01Å; W101-F109 HydrophobicContact CZ3-CB 4.17Å; W101-T125 HydrophobicContact CH2-CG2 3.91Å; W101-T125 HydrophobicContact CZ3-CG2 3.94Å; W101-T125 WeakPolarHBondContact CZ3-OG1 3.25Å |
| 102 | D | 96.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -96.5 | -22.4 | 176.3 | -155.4 | 14.7 | 0 | 0 | 0 | 112.1 | E108 K110 T122 | D102-E108 HydrophobicContact CB-CB 4.08Å; D102-E108 PolarHBondContact N-O 3.09Å; D102-K110 HydrophobicContact CB-CG 4.09Å; D102-K110 WeakPolarHBondContact OD1-CE 3.21Å; D102-K110 IonicContact OD1-NZ 2.71Å; D102-K110 PolarHBondContact OD1-NZ 2.87Å; D102-T122 HydrophobicContact CB-CG2 4.18Å; D102-T122 WeakPolarHBondContact OD2-CG2 3.19Å; D102-T122 PolarHBondContact OD2-OG1 2.88Å |
| 103 | N | 94.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -140.5 | 164.7 | 180 | 58.6 | 8.6 | 0 | 0 | 0 | 112.9 | D105 Y106 T107 E108 | N103-D105 PolarHBondContact ND2-OD1 3.15Å; N103-D105 PolarHBondContact OD1-OD1 3.27Å; N103-D105 VanDerWaalsContact OD1-OD1 3.13Å; N103-Y106 PolarHBondContact O-N 2.99Å; N103-Y106 WeakPolarHBondContact OD1-CA 3.47Å; N103-Y106 PolarHBondContact OD1-N 3.39Å; N103-T107 PolarHBondContact ND2-OG1 3.38Å; N103-T107 PolarHBondContact OD1-N 2.69Å; N103-T107 VanDerWaalsContact OD1-N 3.11Å; N103-E108 PolarHBondContact ND2-N 2.84Å; N103-E108 PolarHBondContact OD1-N 2.76Å; N103-E108 PolarHBondContact OD1-O 3.17Å |
| 104 | E | 90.3 | Very high | 95.5 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 58% | 0.584 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -20.5 | -176.7 | -64.7 | -174.9 | 172.2 | 0 | 0 | 113.9 | K19 Y106 | K19-E104 HydrophobicContact CD-CB 4.28Å; K19-E104 WeakPolarHBondContact CD-OE2 3.17Å; K19-E104 IonicContact NZ-OE2 3.59Å; K19-E104 PolarHBondContact NZ-OE2 3.36Å; E104-Y106 VanDerWaalsContact O-CE2 3.25Å; E104-Y106 WeakPolarHBondContact O-CE2 3.34Å |
| 105 | D | 93.5 | Very high | 95.3 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.5 | 175 | 67.3 | 12.8 | 0 | 0 | 0 | 112.4 | S71 M74 N103 T107 | S71-D105 WeakPolarHBondContact CB-O 3.48Å; S71-D105 PolarHBondContact OG-O 2.89Å; M74-D105 WeakPolarHBondContact CB-O 3.31Å; N103-D105 PolarHBondContact ND2-OD1 3.15Å; N103-D105 PolarHBondContact OD1-OD1 3.27Å; N103-D105 VanDerWaalsContact OD1-OD1 3.13Å; D105-T107 HydrophobicContact CB-CG2 4.35Å; D105-T107 PolarHBondContact O-N 3.08Å; D105-T107 VanDerWaalsContact O-N 3.16Å; D105-T107 WeakPolarHBondContact OD1-CB 3.36Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.35Å; D105-T107 PolarHBondContact OD1-N 3.46Å; D105-T107 PolarHBondContact OD1-OG1 3.01Å; D105-T107 PolarHBondContact OD2-OG1 3.25Å |
| 106 | Y | 94.5 | Very high | 94.7 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 8% | 0.078 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 58.9 | 23 | 177.5 | -44.6 | -61 | 0 | 0 | 0 | 114 | K19 P70 M74 F80 W101 N103 E104 E108 T125 | K19-Y106 PolarHBondContact O-OH 3.49Å; P70-Y106 HydrophobicContact CB-CD2 3.82Å; P70-Y106 HydrophobicContact CB-CE2 4.12Å; P70-Y106 WeakPolarHBondContact O-CE2 3.48Å; M74-Y106 VanDerWaalsContact CE-CB 3.46Å; M74-Y106 HydrophobicContact CE-CD2 4.12Å; M74-Y106 HydrophobicContact CE-CG 4.02Å; F80-Y106 HydrophobicContact CD2-CD1 4.35Å; F80-Y106 HydrophobicContact CD2-CD2 4.03Å; F80-Y106 HydrophobicContact CD2-CE1 4.42Å; F80-Y106 HydrophobicContact CD2-CE2 4.08Å; F80-Y106 HydrophobicContact CD2-CG 4.16Å; F80-Y106 HydrophobicContact CE2-CD1 4.04Å; F80-Y106 AromaticContact CE2-CD2 3.92Å; F80-Y106 HydrophobicContact CE2-CD2 3.92Å; F80-Y106 AromaticContact CE2-CE1 3.67Å; F80-Y106 HydrophobicContact CE2-CE1 3.67Å; F80-Y106 AromaticContact CE2-CE2 3.52Å; F80-Y106 HydrophobicContact CE2-CE2 3.52Å; F80-Y106 HydrophobicContact CE2-CG 4.16Å; F80-Y106 AromaticContact CE2-CZ 3.4Å; F80-Y106 HydrophobicContact CZ-CE2 4.31Å; W101-Y106 HydrophobicContact CB-CD1 4.2Å; W101-Y106 AromaticContact CD1-CD1 3.93Å; W101-Y106 AromaticContact CD2-CD1 3.64Å; W101-Y106 HydrophobicContact CD2-CD1 3.64Å; W101-Y106 HydrophobicContact CD2-CG 4.33Å; W101-Y106 AromaticContact CE2-CD1 3.96Å; W101-Y106 HydrophobicContact CE3-CD1 4.1Å; W101-Y106 HydrophobicContact CE3-CG 4.48Å; W101-Y106 AromaticContact CG-CD1 3.66Å; W101-Y106 HydrophobicContact CG-CD1 3.66Å; W101-Y106 HydrophobicContact CG-CE1 4.19Å; W101-Y106 VanDerWaalsContact CZ3-O 3.24Å; W101-Y106 WeakPolarHBondContact CZ3-O 3.48Å; N103-Y106 PolarHBondContact O-N 2.99Å; N103-Y106 WeakPolarHBondContact OD1-CA 3.47Å; N103-Y106 PolarHBondContact OD1-N 3.39Å; E104-Y106 VanDerWaalsContact O-CE2 3.25Å; E104-Y106 WeakPolarHBondContact O-CE2 3.34Å; Y106-E108 VanDerWaalsContact C-N 3.33Å; Y106-T125 WeakPolarHBondContact O-CB 3.46Å; Y106-T125 PolarHBondContact O-OG1 2.75Å |
| 107 | T | 96.4 | Very high | 93.9 | Very high | 47 Ų | 47 | 47 Ų | 47 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -81.9 | -15.7 | 175.9 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | E73 N103 D105 K124 T125 | E73-T107 HydrophobicContact CB-CG2 3.57Å; E73-T107 HydrophobicContact CG-CG2 4.26Å; N103-T107 PolarHBondContact ND2-OG1 3.38Å; N103-T107 PolarHBondContact OD1-N 2.69Å; N103-T107 VanDerWaalsContact OD1-N 3.11Å; D105-T107 HydrophobicContact CB-CG2 4.35Å; D105-T107 PolarHBondContact O-N 3.08Å; D105-T107 VanDerWaalsContact O-N 3.16Å; D105-T107 WeakPolarHBondContact OD1-CB 3.36Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.35Å; D105-T107 PolarHBondContact OD1-N 3.46Å; D105-T107 PolarHBondContact OD1-OG1 3.01Å; D105-T107 PolarHBondContact OD2-OG1 3.25Å; T107-K124 CarbonylContact O-C 2.99Å; T107-K124 WeakPolarHBondContact O-CA 3.36Å; T107-T125 PolarHBondContact O-N 3.24Å; T107-T125 PolarHBondContact O-OG1 2.87Å; T107-T125 VanDerWaalsContact O-OG1 3.12Å |
| 108 | E | 97.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.4 | 178.7 | -61 | -175.5 | 165.2 | 0 | 0 | 112.7 | D102 N103 Y106 T122 F123 T125 | D102-E108 HydrophobicContact CB-CB 4.08Å; D102-E108 PolarHBondContact N-O 3.09Å; N103-E108 PolarHBondContact ND2-N 2.84Å; N103-E108 PolarHBondContact OD1-N 2.76Å; N103-E108 PolarHBondContact OD1-O 3.17Å; Y106-E108 VanDerWaalsContact C-N 3.33Å; E108-T122 HydrophobicContact CB-CG2 3.97Å; E108-F123 CarbonylContact C-O 3.58Å; E108-F123 VanDerWaalsContact CA-O 3.26Å; E108-F123 WeakPolarHBondContact CA-O 3.36Å; E108-T125 PolarHBondContact N-OG1 3.38Å |
| 109 | F | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.8 | 176.7 | 68.4 | -85.5 | 0 | 0 | 0 | 111.7 | W82 L88 F98 W101 A111 T122 F123 W128 | W82-F109 HydrophobicContact CZ3-CD1 4.03Å; W82-F109 HydrophobicContact CZ3-CE1 4.11Å; W82-F109 HydrophobicContact CZ3-CG 4.49Å; L88-F109 HydrophobicContact CD1-CD2 4.09Å; L88-F109 HydrophobicContact CD1-CE1 4.43Å; L88-F109 HydrophobicContact CD1-CE2 3.55Å; L88-F109 HydrophobicContact CD1-CZ 3.74Å; F98-F109 HydrophobicContact CD2-CB 4.04Å; F98-F109 AromaticContact CD2-CD2 3.85Å; F98-F109 HydrophobicContact CD2-CD2 3.85Å; F98-F109 HydrophobicContact CD2-CG 4.13Å; F98-F109 HydrophobicContact CE2-CB 3.65Å; F98-F109 HydrophobicContact CE2-CD2 4.36Å; F98-F109 HydrophobicContact CE2-CG 4.21Å; W101-F109 HydrophobicContact CE3-CB 4.01Å; W101-F109 HydrophobicContact CZ3-CB 4.17Å; F109-A111 HydrophobicContact CD2-CB 3.89Å; F109-A111 HydrophobicContact CE2-CB 3.61Å; F109-T122 CarbonylContact O-C 3.56Å; F109-T122 VanDerWaalsContact O-CA 3.3Å; F109-T122 WeakPolarHBondContact O-CA 3.36Å; F109-F123 HydrophobicContact CD1-CB 4.22Å; F109-F123 WeakPolarHBondContact CD1-O 3.34Å; F109-F123 HydrophobicContact CE1-CB 3.58Å; F109-F123 HydrophobicContact CE2-CB 4.04Å; F109-F123 AromaticContact CE2-CD2 3.88Å; F109-F123 HydrophobicContact CE2-CD2 3.88Å; F109-F123 HydrophobicContact CE2-CG 4.39Å; F109-F123 HydrophobicContact CZ-CB 3.49Å; F109-F123 VanDerWaalsContact CZ-CB 3.49Å; F109-F123 HydrophobicContact CZ-CD2 4.03Å; F109-F123 HydrophobicContact CZ-CG 4.1Å; F109-F123 PolarHBondContact N-O 3.33Å; F109-F123 PolarHBondContact O-N 3.13Å; F109-W128 HydrophobicContact CE1-CB 4.09Å; F109-W128 AromaticContact CE1-CD1 3.76Å; F109-W128 HydrophobicContact CE1-CD2 4.39Å; F109-W128 AromaticContact CE1-CG 3.81Å; F109-W128 HydrophobicContact CE1-CG 3.81Å; F109-W128 HydrophobicContact CZ-CB 4.13Å; F109-W128 AromaticContact CZ-CD1 3.85Å; F109-W128 AromaticContact CZ-CD2 3.74Å; F109-W128 HydrophobicContact CZ-CD2 3.74Å; F109-W128 AromaticContact CZ-CE2 4Å; F109-W128 HydrophobicContact CZ-CE3 4.35Å; F109-W128 AromaticContact CZ-CG 3.63Å; F109-W128 HydrophobicContact CZ-CG 3.63Å |
| 110 | K | 97.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.9 | 167 | -59.3 | -161.1 | -173.2 | -167.6 | 0 | 109.6 | E99 K100 D102 | E99-K110 HydrophobicContact CB-CB 4.41Å; E99-K110 WeakPolarHBondContact CB-O 3.29Å; E99-K110 PolarHBondContact N-O 2.81Å; K100-K110 HydrophobicContact CG-CB 4.22Å; K100-K110 PolarHBondContact N-O 3.39Å; K100-K110 PolarHBondContact O-N 2.81Å; D102-K110 HydrophobicContact CB-CG 4.09Å; D102-K110 WeakPolarHBondContact OD1-CE 3.21Å; D102-K110 IonicContact OD1-NZ 2.71Å; D102-K110 PolarHBondContact OD1-NZ 2.87Å |
| 111 | A | 97.2 | Very high | 92 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 162.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | C96 I97 F109 G120 A121 F123 | C96-A111 HydrophobicContact CB-CB 3.83Å; C96-A111 WeakPolarHBondContact SG-CB 3.19Å; I97-A111 CarbonylContact O-C 3.58Å; I97-A111 WeakPolarHBondContact O-CA 3.42Å; I97-A111 WeakPolarHBondContact O-CB 2.96Å; F109-A111 HydrophobicContact CD2-CB 3.89Å; F109-A111 HydrophobicContact CE2-CB 3.61Å; A111-G120 CarbonylContact O-C 3.51Å; A111-G120 VanDerWaalsContact O-CA 3.25Å; A111-G120 WeakPolarHBondContact O-CA 3.37Å; A111-A121 PolarHBondContact N-O 2.91Å; A111-A121 PolarHBondContact O-N 2.88Å; A111-F123 HydrophobicContact CB-CD2 4.05Å; A111-F123 HydrophobicContact CB-CE2 4.08Å |
| 112 | I | 95 | Very high | 92 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 170.9 | 178.6 | 62 | 165.9 | 0 | 0 | 0 | 110.3 | I97 A114 S119 L157 | I97-I112 HydrophobicContact CB-CG1 4.16Å; I97-I112 PolarHBondContact N-O 3.46Å; I97-I112 PolarHBondContact O-N 2.77Å; I112-A114 PolarHBondContact O-N 2.91Å; I112-A114 VanDerWaalsContact O-N 3.09Å; I112-S119 CarbonylContact C-O 3.5Å; I112-L157 HydrophobicContact CD1-CB 3.42Å; I112-L157 VanDerWaalsContact CD1-CB 3.42Å; I112-L157 HydrophobicContact CD1-CD1 3.54Å; I112-L157 HydrophobicContact CD1-CD2 4.1Å; I112-L157 HydrophobicContact CD1-CG 3.87Å; I112-L157 HydrophobicContact CG1-CD1 4.08Å |
| 113 | F | 94 | Very high | 92 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 29 | -178.8 | -53.2 | -60.2 | 0 | 0 | 0 | 113.7 | I97 T115 Y118 S119 Y140 I144 K148 L152 I159 | I97-F113 HydrophobicContact CD1-CD2 3.98Å; I97-F113 HydrophobicContact CG1-CD2 4.47Å; F113-T115 PolarHBondContact O-N 2.75Å; F113-Y118 HydrophobicContact CB-CD1 4.34Å; F113-Y118 WeakPolarHBondContact O-CD1 3.48Å; F113-S119 PolarHBondContact N-O 2.84Å; F113-S119 VanDerWaalsContact N-O 3.15Å; F113-Y140 PolarHBondContact O-OH 2.86Å; F113-I144 HydrophobicContact CB-CD1 3.61Å; F113-I144 HydrophobicContact CB-CG1 4.02Å; F113-I144 HydrophobicContact CB-CG2 4.45Å; F113-I144 HydrophobicContact CD1-CG2 3.7Å; F113-I144 HydrophobicContact CD2-CD1 4.29Å; F113-I144 HydrophobicContact CD2-CG2 4.36Å; F113-I144 HydrophobicContact CE1-CG2 3.97Å; F113-I144 HydrophobicContact CG-CD1 4.01Å; F113-I144 HydrophobicContact CG-CG1 4.37Å; F113-I144 HydrophobicContact CG-CG2 3.92Å; F113-I144 HydrophobicContact CZ-CG2 4.41Å; F113-K148 HydrophobicContact CE1-CD 4.44Å; F113-K148 HydrophobicContact CE1-CG 4.22Å; F113-L152 HydrophobicContact CD2-CD1 4.31Å; F113-L152 HydrophobicContact CD2-CD2 4.27Å; F113-L152 HydrophobicContact CE2-CD1 3.4Å; F113-L152 VanDerWaalsContact CE2-CD1 3.4Å; F113-L152 HydrophobicContact CE2-CD2 4.15Å; F113-L152 HydrophobicContact CE2-CG 4.44Å; F113-L152 HydrophobicContact CZ-CD1 3.83Å; F113-I159 HydrophobicContact CE1-CD1 4.07Å; F113-I159 HydrophobicContact CE1-CG1 4.19Å; F113-I159 HydrophobicContact CZ-CD1 3.79Å; F113-I159 HydrophobicContact CZ-CG1 3.99Å |
| 114 | A | 92.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 128.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I95 C96 I112 N117 Y118 S119 F123 | I95-A114 WeakPolarHBondContact O-CA 3.48Å; C96-A114 HydrophobicContact CB-CB 3.99Å; I112-A114 PolarHBondContact O-N 2.91Å; I112-A114 VanDerWaalsContact O-N 3.09Å; A114-N117 PolarHBondContact O-N 2.89Å; A114-Y118 WeakPolarHBondContact O-CA 3.26Å; A114-Y118 PolarHBondContact O-N 2.86Å; A114-S119 PolarHBondContact N-O 2.79Å; A114-S119 PolarHBondContact O-N 3.35Å; A114-F123 HydrophobicContact CB-CE2 4.02Å; A114-F123 HydrophobicContact CB-CZ 3.72Å |
| 115 | T | 88.3 | Confident | 92.4 | Very high | 34 Ų | 34 | 47 Ų | 47 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 151.4 | 172.2 | 49.3 | 0 | 0 | 0 | 0 | 111 | D93 I95 F113 Y118 Y140 | D93-T115 WeakPolarHBondContact O-CB 3.26Å; D93-T115 PolarHBondContact O-OG1 2.85Å; I95-T115 HydrophobicContact CB-CG2 4.36Å; I95-T115 PolarHBondContact N-OG1 2.86Å; I95-T115 PolarHBondContact O-N 3.25Å; I95-T115 PolarHBondContact O-OG1 2.94Å; F113-T115 PolarHBondContact O-N 2.75Å; T115-Y118 HydrophobicContact CG2-CE1 4.11Å; T115-Y140 HydrophobicContact CG2-CD2 4.46Å; T115-Y140 HydrophobicContact CG2-CE2 3.93Å |
| 116 | P | 82 | Confident | 92.4 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.2 | -12.5 | 0.3 | 33.6 | -35.1 | 0 | 0 | 0 | 114.4 | ||
| 117 | N | 79.2 | Confident | 92.4 | Very high | 104 Ų | 104 | 59 Ų | 59 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.5 | -167.6 | -65.5 | -30.5 | 0 | 0 | 0 | 114.5 | A114 S119 | A114-N117 PolarHBondContact O-N 2.89Å; N117-S119 PolarHBondContact O-N 3.46Å |
| 118 | Y | 84 | Confident | 92.4 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 51.3 | -176.6 | -51.1 | -75.9 | 0 | 0 | 0 | 112.4 | F113 A114 T115 Y140 N143 I144 F147 K148 | F113-Y118 HydrophobicContact CB-CD1 4.34Å; F113-Y118 WeakPolarHBondContact O-CD1 3.48Å; A114-Y118 WeakPolarHBondContact O-CA 3.26Å; A114-Y118 PolarHBondContact O-N 2.86Å; T115-Y118 HydrophobicContact CG2-CE1 4.11Å; Y118-Y140 HydrophobicContact CD1-CE2 4.31Å; Y118-Y140 HydrophobicContact CE1-CD2 4.38Å; Y118-Y140 AromaticContact CE1-CE2 3.89Å; Y118-Y140 HydrophobicContact CE1-CE2 3.89Å; Y118-N143 WeakPolarHBondContact OH-CB 2.9Å; Y118-I144 HydrophobicContact CD1-CD1 4.49Å; Y118-I144 HydrophobicContact CD1-CG1 3.51Å; Y118-I144 HydrophobicContact CE1-CG1 3.67Å; Y118-I144 HydrophobicContact CG-CG1 4.39Å; Y118-F147 HydrophobicContact CD2-CB 3.88Å; Y118-F147 AromaticContact CD2-CD1 3.48Å; Y118-F147 HydrophobicContact CD2-CD1 3.48Å; Y118-F147 VanDerWaalsContact CD2-CD1 3.48Å; Y118-F147 AromaticContact CD2-CD2 3.75Å; Y118-F147 HydrophobicContact CD2-CD2 3.75Å; Y118-F147 AromaticContact CD2-CE1 3.87Å; Y118-F147 HydrophobicContact CD2-CE1 3.87Å; Y118-F147 HydrophobicContact CD2-CE2 4.1Å; Y118-F147 AromaticContact CD2-CG 3.41Å; Y118-F147 HydrophobicContact CD2-CG 3.41Å; Y118-F147 VanDerWaalsContact CD2-CG 3.41Å; Y118-F147 HydrophobicContact CD2-CZ 4.16Å; Y118-F147 HydrophobicContact CE2-CB 3.87Å; Y118-F147 HydrophobicContact CE2-CD1 4.25Å; Y118-F147 AromaticContact CE2-CD2 3.77Å; Y118-F147 HydrophobicContact CE2-CD2 3.77Å; Y118-F147 HydrophobicContact CE2-CE2 4.35Å; Y118-F147 AromaticContact CE2-CG 3.7Å; Y118-F147 HydrophobicContact CE2-CG 3.7Å; Y118-F147 HydrophobicContact CG-CD1 4.21Å; Y118-F147 HydrophobicContact CG-CG 4.44Å; Y118-K148 WeakPolarHBondContact O-CE 3.34Å; Y118-K148 PolarHBondContact O-NZ 3.05Å |
| 119 | S | 85 | Confident | 92.3 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 166.4 | -179.7 | 57 | 0 | 0 | 0 | 0 | 112.5 | I112 F113 A114 N117 | I112-S119 CarbonylContact C-O 3.5Å; F113-S119 PolarHBondContact N-O 2.84Å; F113-S119 VanDerWaalsContact N-O 3.15Å; A114-S119 PolarHBondContact N-O 2.79Å; A114-S119 PolarHBondContact O-N 3.35Å; N117-S119 PolarHBondContact O-N 3.46Å |
| 120 | G | 89.2 | Confident | 92.2 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 143.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A111 | A111-G120 CarbonylContact O-C 3.51Å; A111-G120 VanDerWaalsContact O-CA 3.25Å; A111-G120 WeakPolarHBondContact O-CA 3.37Å |
| 121 | A | 92.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 161.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A111 F123 | A111-A121 PolarHBondContact N-O 2.91Å; A111-A121 PolarHBondContact O-N 2.88Å; A121-F123 HydrophobicContact CB-CD2 4.47Å; A121-F123 HydrophobicContact CB-CE1 4.35Å; A121-F123 HydrophobicContact CB-CE2 3.76Å; A121-F123 HydrophobicContact CB-CZ 3.7Å |
| 122 | T | 95.8 | Very high | 92 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137.1 | 166.2 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | D102 E108 F109 | D102-T122 HydrophobicContact CB-CG2 4.18Å; D102-T122 WeakPolarHBondContact OD2-CG2 3.19Å; D102-T122 PolarHBondContact OD2-OG1 2.88Å; E108-T122 HydrophobicContact CB-CG2 3.97Å; F109-T122 CarbonylContact O-C 3.56Å; F109-T122 VanDerWaalsContact O-CA 3.3Å; F109-T122 WeakPolarHBondContact O-CA 3.36Å |
| 123 | F | 96.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 23% | 0.228 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 153.4 | 179.2 | -63.2 | -76.8 | 0 | 0 | 0 | 111.8 | C96 E108 F109 A111 A114 A121 W128 | C96-F123 HydrophobicContact CB-CE2 4.38Å; E108-F123 CarbonylContact C-O 3.58Å; E108-F123 VanDerWaalsContact CA-O 3.26Å; E108-F123 WeakPolarHBondContact CA-O 3.36Å; F109-F123 HydrophobicContact CD1-CB 4.22Å; F109-F123 WeakPolarHBondContact CD1-O 3.34Å; F109-F123 HydrophobicContact CE1-CB 3.58Å; F109-F123 HydrophobicContact CE2-CB 4.04Å; F109-F123 AromaticContact CE2-CD2 3.88Å; F109-F123 HydrophobicContact CE2-CD2 3.88Å; F109-F123 HydrophobicContact CE2-CG 4.39Å; F109-F123 HydrophobicContact CZ-CB 3.49Å; F109-F123 VanDerWaalsContact CZ-CB 3.49Å; F109-F123 HydrophobicContact CZ-CD2 4.03Å; F109-F123 HydrophobicContact CZ-CG 4.1Å; F109-F123 PolarHBondContact N-O 3.33Å; F109-F123 PolarHBondContact O-N 3.13Å; A111-F123 HydrophobicContact CB-CD2 4.05Å; A111-F123 HydrophobicContact CB-CE2 4.08Å; A114-F123 HydrophobicContact CB-CE2 4.02Å; A114-F123 HydrophobicContact CB-CZ 3.72Å; A121-F123 HydrophobicContact CB-CD2 4.47Å; A121-F123 HydrophobicContact CB-CE1 4.35Å; A121-F123 HydrophobicContact CB-CE2 3.76Å; A121-F123 HydrophobicContact CB-CZ 3.7Å; F123-W128 HydrophobicContact CB-CZ2 4.47Å; F123-W128 AromaticContact CD1-CZ2 3.64Å; F123-W128 HydrophobicContact CD1-CZ2 3.64Å; F123-W128 HydrophobicContact CD2-CZ2 4.22Å; F123-W128 AromaticContact CE1-CZ2 3.81Å; F123-W128 HydrophobicContact CE1-CZ2 3.81Å; F123-W128 HydrophobicContact CE2-CZ2 4.36Å; F123-W128 AromaticContact CG-CZ2 3.86Å; F123-W128 HydrophobicContact CG-CZ2 3.86Å; F123-W128 AromaticContact CG-NE1 3.96Å; F123-W128 HydrophobicContact CZ-CZ2 4.16Å |
| 124 | K | 96.4 | Very high | 92 | Very high | 144 Ų | 144 | 71.6 Ų | 71.6 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 129.2 | 170.3 | -65.6 | -169.8 | 174.9 | -168 | 0 | 111 | T107 E126 | T107-K124 CarbonylContact O-C 2.99Å; T107-K124 WeakPolarHBondContact O-CA 3.36Å; K124-E126 VanDerWaalsContact C-N 3.31Å; K124-E126 PolarHBondContact O-N 2.9Å |
| 125 | T | 96.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.025 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -61.4 | -31.5 | -175.2 | -53.2 | 0 | 0 | 0 | 0 | 114.7 | M74 K79 W82 W101 Y106 T107 E108 K127 W128 | M74-T125 HydrophobicContact CG-CG2 4.3Å; K79-T125 HydrophobicContact CB-CG2 4.32Å; K79-T125 HydrophobicContact CD-CG2 3.76Å; K79-T125 PolarHBondContact NZ-O 3.49Å; W82-T125 HydrophobicContact CH2-CG2 3.96Å; W82-T125 HydrophobicContact CZ3-CG2 3.92Å; W101-T125 HydrophobicContact CH2-CG2 3.91Å; W101-T125 HydrophobicContact CZ3-CG2 3.94Å; W101-T125 WeakPolarHBondContact CZ3-OG1 3.25Å; Y106-T125 WeakPolarHBondContact O-CB 3.46Å; Y106-T125 PolarHBondContact O-OG1 2.75Å; T107-T125 PolarHBondContact O-N 3.24Å; T107-T125 PolarHBondContact O-OG1 2.87Å; T107-T125 VanDerWaalsContact O-OG1 3.12Å; E108-T125 PolarHBondContact N-OG1 3.38Å; T125-K127 VanDerWaalsContact C-N 3.3Å; T125-K127 PolarHBondContact O-N 2.66Å; T125-W128 PolarHBondContact O-N 2.93Å; T125-W128 VanDerWaalsContact O-N 3.17Å |
| 126 | E | 94.2 | Very high | 92.3 | Very high | 157 Ų | 157 | 75.2 Ų | 75.2 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -51.7 | -44.6 | -170.6 | -173.2 | -173.2 | 173 | 0 | 0 | 113.4 | K79 K124 | K79-E126 PolarHBondContact NZ-O 2.64Å; K124-E126 VanDerWaalsContact C-N 3.31Å; K124-E126 PolarHBondContact O-N 2.9Å |
| 127 | K | 92.8 | Very high | 92.9 | Very high | 168 Ų | 168 | 72.2 Ų | 72.2 | 73% | 0.73 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -88.6 | -5.4 | -173 | -62.8 | -172.2 | 178.2 | -176.3 | 0 | 114.8 | A90 T125 | A90-K127 WeakPolarHBondContact CB-O 3.37Å; T125-K127 VanDerWaalsContact C-N 3.3Å; T125-K127 PolarHBondContact O-N 2.66Å |
| 128 | W | 96.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 73.5 Ų | 73.5 | 8% | 0.076 | 40% | 0.4 | C | S | . | . | trans | -103.7 | 149.1 | -174 | -67.7 | 79.4 | 0 | 0 | 0 | 111.4 | K79 W82 L88 M89 A90 N94 C96 F109 F123 T125 | K79-W128 WeakPolarHBondContact CE-O 3.33Å; K79-W128 PolarHBondContact NZ-O 2.76Å; K79-W128 VanDerWaalsContact NZ-O 3.13Å; W82-W128 HydrophobicContact CH2-CB 3.87Å; L88-W128 HydrophobicContact CB-CE3 3.66Å; L88-W128 HydrophobicContact CB-CZ3 4.26Å; L88-W128 WeakPolarHBondContact O-CZ3 3.39Å; M89-W128 VanDerWaalsContact C-CE3 3.45Å; M89-W128 WeakPolarHBondContact O-CA 3.21Å; A90-W128 HydrophobicContact CB-CD2 3.58Å; A90-W128 HydrophobicContact CB-CE3 3.83Å; A90-W128 HydrophobicContact CB-CG 4.02Å; A90-W128 HydrophobicContact CB-CH2 4.22Å; A90-W128 HydrophobicContact CB-CZ2 3.98Å; A90-W128 HydrophobicContact CB-CZ3 4.13Å; N94-W128 HydrophobicContact CB-CH2 4.27Å; N94-W128 WeakPolarHBondContact O-CZ3 3.35Å; C96-W128 HydrophobicContact CB-CH2 4.14Å; C96-W128 HydrophobicContact CB-CZ3 4.15Å; C96-W128 WeakPolarHBondContact SG-CZ3 3.35Å; F109-W128 HydrophobicContact CE1-CB 4.09Å; F109-W128 AromaticContact CE1-CD1 3.76Å; F109-W128 HydrophobicContact CE1-CD2 4.39Å; F109-W128 AromaticContact CE1-CG 3.81Å; F109-W128 HydrophobicContact CE1-CG 3.81Å; F109-W128 HydrophobicContact CZ-CB 4.13Å; F109-W128 AromaticContact CZ-CD1 3.85Å; F109-W128 AromaticContact CZ-CD2 3.74Å; F109-W128 HydrophobicContact CZ-CD2 3.74Å; F109-W128 AromaticContact CZ-CE2 4Å; F109-W128 HydrophobicContact CZ-CE3 4.35Å; F109-W128 AromaticContact CZ-CG 3.63Å; F109-W128 HydrophobicContact CZ-CG 3.63Å; F123-W128 HydrophobicContact CB-CZ2 4.47Å; F123-W128 AromaticContact CD1-CZ2 3.64Å; F123-W128 HydrophobicContact CD1-CZ2 3.64Å; F123-W128 HydrophobicContact CD2-CZ2 4.22Å; F123-W128 AromaticContact CE1-CZ2 3.81Å; F123-W128 HydrophobicContact CE1-CZ2 3.81Å; F123-W128 HydrophobicContact CE2-CZ2 4.36Å; F123-W128 AromaticContact CG-CZ2 3.86Å; F123-W128 HydrophobicContact CG-CZ2 3.86Å; F123-W128 AromaticContact CG-NE1 3.96Å; F123-W128 HydrophobicContact CZ-CZ2 4.16Å; T125-W128 PolarHBondContact O-N 2.93Å; T125-W128 VanDerWaalsContact O-N 3.17Å | ||
| 129 | S | 95.5 | Very high | 94 | Very high | 67 Ų | 67 | 77.9 Ų | 77.9 | 47% | 0.469 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.4 | 176 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | L88 M89 | L88-S129 CarbonylContact C-O 3.46Å; L88-S129 VanDerWaalsContact CA-O 3.3Å; L88-S129 WeakPolarHBondContact CA-O 3.08Å; M89-S129 PolarHBondContact N-O 2.79Å; M89-S129 PolarHBondContact O-N 2.75Å; M89-S129 PolarHBondContact O-OG 3.04Å |
| 130 | K | 96.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 75.2 Ų | 75.2 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.6 | 176.7 | -175.9 | 168.3 | 179.9 | 160.5 | 0 | 109.6 | D86 L88 | D86-K130 VanDerWaalsContact CG-CE 3.43Å; D86-K130 VanDerWaalsContact OD1-CE 3.26Å; D86-K130 WeakPolarHBondContact OD1-CE 3.44Å; D86-K130 IonicContact OD1-NZ 3.53Å; D86-K130 PolarHBondContact OD1-NZ 2.74Å; D86-K130 WeakPolarHBondContact OD2-CE 3.23Å; D86-K130 IonicContact OD2-NZ 2.77Å; D86-K130 PolarHBondContact OD2-NZ 2.56Å; L88-K130 HydrophobicContact CD2-CB 4.3Å |
| 131 | E | 95.8 | Very high | 94.5 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | trans | -75.6 | 133.1 | 169.3 | 179.8 | 56.5 | -94.2 | 0 | 0 | 108.9 | V87 M89 N133 V136 I137 | V87-E131 HydrophobicContact CB-CB 4.34Å; V87-E131 HydrophobicContact CG1-CB 4.04Å; V87-E131 PolarHBondContact O-N 2.88Å; M89-E131 HydrophobicContact CE-CG 4.49Å; M89-E131 WeakPolarHBondContact CE-OE2 3.14Å; E131-N133 WeakPolarHBondContact OE1-CB 3.5Å; E131-N133 PolarHBondContact OE1-N 3.2Å; E131-V136 HydrophobicContact CG-CB 4.28Å; E131-V136 HydrophobicContact CG-CG1 4.11Å; E131-I137 HydrophobicContact CB-CG1 4.32Å; E131-I137 HydrophobicContact CG-CD1 4.26Å; E131-I137 HydrophobicContact CG-CG1 3.72Å; E131-I137 WeakPolarHBondContact O-CD1 3.42Å | ||
| 132 | T | 94.3 | Very high | 94.4 | Very high | 107 Ų | 107 | 73.4 Ų | 73.4 | 66% | 0.656 | 38% | 0.375 | S | S | * | . | trans | -121.2 | -12.3 | -177.6 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | E134 | T132-E134 PolarHBondContact O-N 3Å; T132-E134 VanDerWaalsContact O-N 3.17Å | ||
| 133 | N | 94.4 | Very high | 94 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 43% | 0.433 | 37% | 0.372 | S | S | . | . | trans | -73.6 | 105.2 | 175.5 | -172.9 | -35.3 | 0 | 0 | 0 | 110.5 | E131 A135 V136 I137 | E131-N133 WeakPolarHBondContact OE1-CB 3.5Å; E131-N133 PolarHBondContact OE1-N 3.2Å; N133-A135 PolarHBondContact O-N 3.28Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-A135 WeakPolarHBondContact OD1-CB 3.4Å; N133-A135 PolarHBondContact OD1-N 2.82Å; N133-V136 HydrophobicContact CB-CB 4.18Å; N133-V136 HydrophobicContact CB-CG2 3.94Å; N133-V136 PolarHBondContact O-N 3.02Å; N133-V136 VanDerWaalsContact O-N 3.1Å; N133-V136 PolarHBondContact OD1-N 3.35Å; N133-I137 WeakPolarHBondContact O-CG1 3.44Å; N133-I137 PolarHBondContact O-N 3.3Å | ||
| 134 | E | 95.1 | Very high | 93.7 | Very high | 128 Ų | 128 | 70.7 Ų | 70.7 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.7 | -34.5 | -179.7 | -70.2 | -167.2 | -171.4 | 0 | 0 | 114.2 | T132 I137 K138 | T132-E134 PolarHBondContact O-N 3Å; T132-E134 VanDerWaalsContact O-N 3.17Å; E134-I137 PolarHBondContact O-N 2.7Å; E134-K138 VanDerWaalsContact O-CB 3.26Å; E134-K138 WeakPolarHBondContact O-CB 3.43Å; E134-K138 WeakPolarHBondContact O-CD 3.31Å; E134-K138 VanDerWaalsContact O-CG 3.22Å; E134-K138 WeakPolarHBondContact O-CG 3.41Å; E134-K138 PolarHBondContact O-N 3.3Å; E134-K138 IonicContact OE2-NZ 2.86Å; E134-K138 PolarHBondContact OE2-NZ 2.83Å |
| 135 | A | 94.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 56% | 0.562 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68 | -41.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N133 Q139 | N133-A135 PolarHBondContact O-N 3.28Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-A135 WeakPolarHBondContact OD1-CB 3.4Å; N133-A135 PolarHBondContact OD1-N 2.82Å; A135-Q139 VanDerWaalsContact O-CB 3.31Å; A135-Q139 WeakPolarHBondContact O-CB 3.49Å; A135-Q139 PolarHBondContact O-N 2.75Å |
| 136 | V | 92.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 71.5 Ų | 71.5 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | M89 I95 E131 N133 Q139 Y140 | M89-V136 HydrophobicContact CE-CG1 3.89Å; I95-V136 HydrophobicContact CD1-CG1 4.43Å; E131-V136 HydrophobicContact CG-CB 4.28Å; E131-V136 HydrophobicContact CG-CG1 4.11Å; N133-V136 HydrophobicContact CB-CB 4.18Å; N133-V136 HydrophobicContact CB-CG2 3.94Å; N133-V136 PolarHBondContact O-N 3.02Å; N133-V136 VanDerWaalsContact O-N 3.1Å; N133-V136 PolarHBondContact OD1-N 3.35Å; V136-Q139 PolarHBondContact O-N 3.37Å; V136-Y140 VanDerWaalsContact O-CB 3.32Å; V136-Y140 WeakPolarHBondContact O-CB 3.28Å; V136-Y140 PolarHBondContact O-N 3.31Å |
| 137 | I | 94.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 66.4 Ų | 66.4 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -50 | 178.7 | -65.1 | 172.2 | 0 | 0 | 0 | 111.1 | V87 E131 N133 E134 Q139 Y140 I141 | V87-I137 HydrophobicContact CB-CG1 4.21Å; V87-I137 HydrophobicContact CG2-CG1 4.32Å; V87-I137 HydrophobicContact CG2-CG2 3.94Å; E131-I137 HydrophobicContact CB-CG1 4.32Å; E131-I137 HydrophobicContact CG-CD1 4.26Å; E131-I137 HydrophobicContact CG-CG1 3.72Å; E131-I137 WeakPolarHBondContact O-CD1 3.42Å; N133-I137 WeakPolarHBondContact O-CG1 3.44Å; N133-I137 PolarHBondContact O-N 3.3Å; E134-I137 PolarHBondContact O-N 2.7Å; I137-Q139 VanDerWaalsContact C-N 3.33Å; I137-Q139 PolarHBondContact O-N 2.91Å; I137-Y140 PolarHBondContact O-N 2.81Å; I137-I141 HydrophobicContact CG2-CD1 3.69Å; I137-I141 HydrophobicContact CG2-CG1 4.43Å; I137-I141 WeakPolarHBondContact O-CG1 3.46Å; I137-I141 PolarHBondContact O-N 2.81Å |
| 138 | K | 94.1 | Very high | 91 | Very high | 131 Ų | 131 | 62.1 Ų | 62.1 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -43.8 | 178.6 | -77.7 | 166.5 | 176.1 | 157 | 0 | 111.3 | E134 S142 | E134-K138 VanDerWaalsContact O-CB 3.26Å; E134-K138 WeakPolarHBondContact O-CB 3.43Å; E134-K138 WeakPolarHBondContact O-CD 3.31Å; E134-K138 VanDerWaalsContact O-CG 3.22Å; E134-K138 WeakPolarHBondContact O-CG 3.41Å; E134-K138 PolarHBondContact O-N 3.3Å; E134-K138 IonicContact OE2-NZ 2.86Å; E134-K138 PolarHBondContact OE2-NZ 2.83Å; K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 3.34Å |
| 139 | Q | 91.7 | Very high | 89.9 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.9 | -176.2 | 58.8 | 59.1 | 0 | 0 | 111.8 | A135 V136 I137 S142 N143 | A135-Q139 VanDerWaalsContact O-CB 3.31Å; A135-Q139 WeakPolarHBondContact O-CB 3.49Å; A135-Q139 PolarHBondContact O-N 2.75Å; V136-Q139 PolarHBondContact O-N 3.37Å; I137-Q139 VanDerWaalsContact C-N 3.33Å; I137-Q139 PolarHBondContact O-N 2.91Å; Q139-S142 PolarHBondContact O-N 3.08Å; Q139-N143 PolarHBondContact NE2-OD1 2.76Å; Q139-N143 PolarHBondContact O-N 3.32Å; Q139-N143 PolarHBondContact O-ND2 3Å; Q139-N143 PolarHBondContact O-OD1 3.14Å |
| 140 | Y | 93 | Very high | 89.2 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 178.6 | 170.8 | -117.4 | 0 | 0 | 0 | 112.2 | V87 I95 C96 I97 F113 T115 Y118 V136 I137 S142 N143 I144 | V87-Y140 HydrophobicContact CG1-CD1 3.74Å; V87-Y140 HydrophobicContact CG1-CE1 3.92Å; V87-Y140 HydrophobicContact CG2-CD1 4.06Å; V87-Y140 HydrophobicContact CG2-CE1 4.23Å; I95-Y140 HydrophobicContact CB-CD2 4.07Å; I95-Y140 HydrophobicContact CB-CE2 3.88Å; I95-Y140 HydrophobicContact CB-CG 4.49Å; I95-Y140 HydrophobicContact CD1-CD2 4.38Å; I95-Y140 HydrophobicContact CG2-CD1 3.66Å; I95-Y140 HydrophobicContact CG2-CD2 3.83Å; I95-Y140 HydrophobicContact CG2-CE1 3.55Å; I95-Y140 HydrophobicContact CG2-CE2 3.76Å; I95-Y140 HydrophobicContact CG2-CG 3.78Å; I95-Y140 PolarHBondContact O-OH 2.97Å; C96-Y140 VanDerWaalsContact CA-OH 3.22Å; C96-Y140 WeakPolarHBondContact CA-OH 3.25Å; I97-Y140 HydrophobicContact CD1-CE1 4.13Å; I97-Y140 HydrophobicContact CG1-CE1 3.69Å; F113-Y140 PolarHBondContact O-OH 2.86Å; T115-Y140 HydrophobicContact CG2-CD2 4.46Å; T115-Y140 HydrophobicContact CG2-CE2 3.93Å; Y118-Y140 HydrophobicContact CD1-CE2 4.31Å; Y118-Y140 HydrophobicContact CE1-CD2 4.38Å; Y118-Y140 AromaticContact CE1-CE2 3.89Å; Y118-Y140 HydrophobicContact CE1-CE2 3.89Å; V136-Y140 VanDerWaalsContact O-CB 3.32Å; V136-Y140 WeakPolarHBondContact O-CB 3.28Å; V136-Y140 PolarHBondContact O-N 3.31Å; I137-Y140 PolarHBondContact O-N 2.81Å; Y140-S142 PolarHBondContact O-N 3.17Å; Y140-N143 WeakPolarHBondContact O-CB 3.16Å; Y140-N143 PolarHBondContact O-N 2.91Å; Y140-N143 VanDerWaalsContact O-N 3.12Å; Y140-I144 HydrophobicContact CD1-CD1 4.11Å; Y140-I144 HydrophobicContact CD2-CD1 4.41Å; Y140-I144 HydrophobicContact CE1-CD1 3.62Å; Y140-I144 HydrophobicContact CE2-CD1 3.93Å; Y140-I144 HydrophobicContact CE2-CG1 4.18Å; Y140-I144 HydrophobicContact CG-CD1 4.49Å; Y140-I144 PolarHBondContact O-N 3.46Å |
| 141 | I | 93 | Very high | 88.8 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 175.1 | -67.9 | 168.7 | 0 | 0 | 0 | 110.3 | I137 N143 I144 E145 L152 L154 | I137-I141 HydrophobicContact CG2-CD1 3.69Å; I137-I141 HydrophobicContact CG2-CG1 4.43Å; I137-I141 WeakPolarHBondContact O-CG1 3.46Å; I137-I141 PolarHBondContact O-N 2.81Å; I141-N143 PolarHBondContact O-N 3.19Å; I141-I144 WeakPolarHBondContact O-CB 3.12Å; I141-I144 PolarHBondContact O-N 3.42Å; I141-E145 HydrophobicContact CG2-CG 4.18Å; I141-E145 WeakPolarHBondContact O-CG 3.22Å; I141-E145 PolarHBondContact O-N 3.36Å; I141-L152 HydrophobicContact CG2-CD2 4.47Å; I141-L154 HydrophobicContact CD1-CD1 3.99Å; I141-L154 HydrophobicContact CD1-CD2 4.17Å |
| 142 | S | 89.3 | Confident | 88.7 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 176.6 | -174.2 | 0 | 0 | 0 | 0 | 112 | K138 Q139 Y140 E145 K146 | K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 3.34Å; Q139-S142 PolarHBondContact O-N 3.08Å; Y140-S142 PolarHBondContact O-N 3.17Å; S142-E145 PolarHBondContact O-N 3.35Å; S142-K146 WeakPolarHBondContact O-CB 3.35Å; S142-K146 WeakPolarHBondContact O-CD 3.17Å; S142-K146 WeakPolarHBondContact O-CG 3.42Å; S142-K146 PolarHBondContact O-N 3.13Å; S142-K146 WeakPolarHBondContact OG-CE 3.33Å; S142-K146 PolarHBondContact OG-NZ 3.44Å |
| 143 | N | 87.7 | Confident | 88.5 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 176.2 | -67.7 | -17.3 | 0 | 0 | 0 | 112.1 | Y118 Q139 Y140 I141 F147 | Y118-N143 WeakPolarHBondContact OH-CB 2.9Å; Q139-N143 PolarHBondContact NE2-OD1 2.76Å; Q139-N143 PolarHBondContact O-N 3.32Å; Q139-N143 PolarHBondContact O-ND2 3Å; Q139-N143 PolarHBondContact O-OD1 3.14Å; Y140-N143 WeakPolarHBondContact O-CB 3.16Å; Y140-N143 PolarHBondContact O-N 2.91Å; Y140-N143 VanDerWaalsContact O-N 3.12Å; I141-N143 PolarHBondContact O-N 3.19Å; N143-F147 WeakPolarHBondContact O-CB 3.46Å; N143-F147 PolarHBondContact O-N 2.98Å |
| 144 | I | 88.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 173.9 | -65.3 | 163.2 | 0 | 0 | 0 | 110.4 | I97 F113 Y118 Y140 I141 K146 F147 K148 L152 I159 | I97-I144 HydrophobicContact CD1-CD1 3.79Å; I97-I144 HydrophobicContact CG1-CD1 4.42Å; F113-I144 HydrophobicContact CB-CD1 3.61Å; F113-I144 HydrophobicContact CB-CG1 4.02Å; F113-I144 HydrophobicContact CB-CG2 4.45Å; F113-I144 HydrophobicContact CD1-CG2 3.7Å; F113-I144 HydrophobicContact CD2-CD1 4.29Å; F113-I144 HydrophobicContact CD2-CG2 4.36Å; F113-I144 HydrophobicContact CE1-CG2 3.97Å; F113-I144 HydrophobicContact CG-CD1 4.01Å; F113-I144 HydrophobicContact CG-CG1 4.37Å; F113-I144 HydrophobicContact CG-CG2 3.92Å; F113-I144 HydrophobicContact CZ-CG2 4.41Å; Y118-I144 HydrophobicContact CD1-CD1 4.49Å; Y118-I144 HydrophobicContact CD1-CG1 3.51Å; Y118-I144 HydrophobicContact CE1-CG1 3.67Å; Y118-I144 HydrophobicContact CG-CG1 4.39Å; Y140-I144 HydrophobicContact CD1-CD1 4.11Å; Y140-I144 HydrophobicContact CD2-CD1 4.41Å; Y140-I144 HydrophobicContact CE1-CD1 3.62Å; Y140-I144 HydrophobicContact CE2-CD1 3.93Å; Y140-I144 HydrophobicContact CE2-CG1 4.18Å; Y140-I144 HydrophobicContact CG-CD1 4.49Å; Y140-I144 PolarHBondContact O-N 3.46Å; I141-I144 WeakPolarHBondContact O-CB 3.12Å; I141-I144 PolarHBondContact O-N 3.42Å; I144-K146 VanDerWaalsContact C-N 3.33Å; I144-K146 PolarHBondContact O-N 2.88Å; I144-F147 CarbonylContact O-C 3.59Å; I144-F147 PolarHBondContact O-N 3.1Å; I144-K148 HydrophobicContact CG2-CG 4.1Å; I144-K148 WeakPolarHBondContact O-CB 3.35Å; I144-K148 WeakPolarHBondContact O-CG 3.38Å; I144-K148 PolarHBondContact O-N 3.01Å; I144-L152 HydrophobicContact CD1-CD2 4.13Å; I144-L152 HydrophobicContact CG2-CD2 4.26Å; I144-I159 HydrophobicContact CG2-CD1 4.09Å |
| 145 | E | 87.6 | Confident | 88.2 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | -177.2 | -69.6 | -178.1 | 145.5 | 0 | 0 | 111.5 | I141 S142 F147 K148 G149 G150 K151 L152 | I141-E145 HydrophobicContact CG2-CG 4.18Å; I141-E145 WeakPolarHBondContact O-CG 3.22Å; I141-E145 PolarHBondContact O-N 3.36Å; S142-E145 PolarHBondContact O-N 3.35Å; E145-F147 PolarHBondContact O-N 3.34Å; E145-K148 PolarHBondContact O-N 3.17Å; E145-G149 PolarHBondContact O-N 2.87Å; E145-G150 CarbonylContact C-O 3.57Å; E145-G150 WeakPolarHBondContact CA-O 3.38Å; E145-G150 WeakPolarHBondContact CB-O 3.47Å; E145-G150 WeakPolarHBondContact CG-O 3.26Å; E145-G150 PolarHBondContact O-N 3.37Å; E145-K151 WeakPolarHBondContact OE1-CA 3.33Å; E145-K151 VanDerWaalsContact OE1-CG 3.31Å; E145-K151 WeakPolarHBondContact OE1-CG 3.42Å; E145-L152 HydrophobicContact CG-CB 3.93Å; E145-L152 PolarHBondContact OE1-N 2.78Å |
| 146 | K | 79.6 | Confident | 88.1 | Confident | 113 Ų | 113 | 53.8 Ų | 53.8 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 173.2 | -72.3 | 169.5 | -178.4 | 165.3 | 0 | 112 | S142 I144 F229 | S142-K146 WeakPolarHBondContact O-CB 3.35Å; S142-K146 WeakPolarHBondContact O-CD 3.17Å; S142-K146 WeakPolarHBondContact O-CG 3.42Å; S142-K146 PolarHBondContact O-N 3.13Å; S142-K146 WeakPolarHBondContact OG-CE 3.33Å; S142-K146 PolarHBondContact OG-NZ 3.44Å; I144-K146 VanDerWaalsContact C-N 3.33Å; I144-K146 PolarHBondContact O-N 2.88Å; K146-F229 HydrophobicContact CB-CD1 4.02Å; K146-F229 HydrophobicContact CB-CE1 3.75Å |
| 147 | F | 78.1 | Confident | 88.1 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.4 | -36.4 | -179.4 | -175.4 | -89.8 | 0 | 0 | 0 | 112.8 | Y118 N143 I144 E145 N222 | Y118-F147 HydrophobicContact CD2-CB 3.88Å; Y118-F147 AromaticContact CD2-CD1 3.48Å; Y118-F147 HydrophobicContact CD2-CD1 3.48Å; Y118-F147 VanDerWaalsContact CD2-CD1 3.48Å; Y118-F147 AromaticContact CD2-CD2 3.75Å; Y118-F147 HydrophobicContact CD2-CD2 3.75Å; Y118-F147 AromaticContact CD2-CE1 3.87Å; Y118-F147 HydrophobicContact CD2-CE1 3.87Å; Y118-F147 HydrophobicContact CD2-CE2 4.1Å; Y118-F147 AromaticContact CD2-CG 3.41Å; Y118-F147 HydrophobicContact CD2-CG 3.41Å; Y118-F147 VanDerWaalsContact CD2-CG 3.41Å; Y118-F147 HydrophobicContact CD2-CZ 4.16Å; Y118-F147 HydrophobicContact CE2-CB 3.87Å; Y118-F147 HydrophobicContact CE2-CD1 4.25Å; Y118-F147 AromaticContact CE2-CD2 3.77Å; Y118-F147 HydrophobicContact CE2-CD2 3.77Å; Y118-F147 HydrophobicContact CE2-CE2 4.35Å; Y118-F147 AromaticContact CE2-CG 3.7Å; Y118-F147 HydrophobicContact CE2-CG 3.7Å; Y118-F147 HydrophobicContact CG-CD1 4.21Å; Y118-F147 HydrophobicContact CG-CG 4.44Å; N143-F147 WeakPolarHBondContact O-CB 3.46Å; N143-F147 PolarHBondContact O-N 2.98Å; I144-F147 CarbonylContact O-C 3.59Å; I144-F147 PolarHBondContact O-N 3.1Å; E145-F147 PolarHBondContact O-N 3.34Å; F147-N222 HydrophobicContact CD2-CB 4.41Å; F147-N222 VanDerWaalsContact CD2-ND2 3.26Å; F147-N222 WeakPolarHBondContact CD2-ND2 3.39Å; F147-N222 HydrophobicContact CE2-CB 3.68Å; F147-N222 VanDerWaalsContact CE2-ND2 3.33Å; F147-N222 WeakPolarHBondContact CE2-ND2 3.25Å; F147-N222 HydrophobicContact CZ-CB 4.06Å; F147-N222 PolarHBondContact O-ND2 2.94Å |
| 148 | K | 79.6 | Confident | 88 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -94.5 | -9.4 | -176.6 | -61.7 | -69.4 | -178.2 | 176.9 | 0 | 113.7 | F113 Y118 I144 E145 I159 | F113-K148 HydrophobicContact CE1-CD 4.44Å; F113-K148 HydrophobicContact CE1-CG 4.22Å; Y118-K148 WeakPolarHBondContact O-CE 3.34Å; Y118-K148 PolarHBondContact O-NZ 3.05Å; I144-K148 HydrophobicContact CG2-CG 4.1Å; I144-K148 WeakPolarHBondContact O-CB 3.35Å; I144-K148 WeakPolarHBondContact O-CG 3.38Å; I144-K148 PolarHBondContact O-N 3.01Å; E145-K148 PolarHBondContact O-N 3.17Å; K148-I159 HydrophobicContact CB-CB 4.41Å; K148-I159 HydrophobicContact CB-CD1 3.89Å; K148-I159 HydrophobicContact CB-CG1 3.78Å; K148-I159 HydrophobicContact CB-CG2 3.9Å; K148-I159 HydrophobicContact CG-CD1 4.06Å; K148-I159 HydrophobicContact CG-CG1 4.03Å |
| 149 | G | 73.3 | Confident | 87.7 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | E145 Q162 | E145-G149 PolarHBondContact O-N 2.87Å; G149-Q162 PolarHBondContact O-N 2.9Å |
| 150 | G | 79.6 | Confident | 87.3 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 167.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E145 E160 | E145-G150 CarbonylContact C-O 3.57Å; E145-G150 WeakPolarHBondContact CA-O 3.38Å; E145-G150 WeakPolarHBondContact CB-O 3.47Å; E145-G150 WeakPolarHBondContact CG-O 3.26Å; E145-G150 PolarHBondContact O-N 3.37Å; G150-E160 CarbonylContact C-O 3.59Å; G150-E160 WeakPolarHBondContact CA-O 3.32Å |
| 151 | K | 88 | Confident | 86.2 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 133.8 | 177.8 | -167.5 | -178.8 | 179.5 | -176.4 | 0 | 109.6 | E145 E160 | E145-K151 WeakPolarHBondContact OE1-CA 3.33Å; E145-K151 VanDerWaalsContact OE1-CG 3.31Å; E145-K151 WeakPolarHBondContact OE1-CG 3.42Å; K151-E160 HydrophobicContact CB-CB 4.42Å; K151-E160 PolarHBondContact N-O 3.27Å; K151-E160 PolarHBondContact O-N 3.43Å |
| 152 | L | 92.8 | Very high | 85.1 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.3 | 178.5 | 172.5 | 61 | 0 | 0 | 0 | 109.5 | I97 F113 I141 I144 E145 L154 I159 | I97-L152 HydrophobicContact CD1-CD2 3.54Å; F113-L152 HydrophobicContact CD2-CD1 4.31Å; F113-L152 HydrophobicContact CD2-CD2 4.27Å; F113-L152 HydrophobicContact CE2-CD1 3.4Å; F113-L152 VanDerWaalsContact CE2-CD1 3.4Å; F113-L152 HydrophobicContact CE2-CD2 4.15Å; F113-L152 HydrophobicContact CE2-CG 4.44Å; F113-L152 HydrophobicContact CZ-CD1 3.83Å; I141-L152 HydrophobicContact CG2-CD2 4.47Å; I144-L152 HydrophobicContact CD1-CD2 4.13Å; I144-L152 HydrophobicContact CG2-CD2 4.26Å; E145-L152 HydrophobicContact CG-CB 3.93Å; E145-L152 PolarHBondContact OE1-N 2.78Å; L152-L154 HydrophobicContact CD2-CD2 3.86Å; L152-L154 HydrophobicContact CG-CD2 4.2Å; L152-I159 HydrophobicContact CB-CD1 3.96Å; L152-I159 HydrophobicContact CD1-CD1 3.82Å; L152-I159 HydrophobicContact CG-CD1 4.44Å |
| 153 | N | 91.5 | Very high | 84.4 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | trans | -88.4 | 109 | 170.2 | -172.5 | -45.8 | 0 | 0 | 0 | 109.4 | A155 T156 L157 E158 E160 | N153-A155 PolarHBondContact O-N 3.46Å; N153-A155 WeakPolarHBondContact OD1-CB 3.19Å; N153-A155 PolarHBondContact OD1-N 2.88Å; N153-T156 WeakPolarHBondContact CB-OG1 3.48Å; N153-T156 PolarHBondContact OD1-N 3.33Å; N153-T156 VanDerWaalsContact OD1-N 3.15Å; N153-L157 WeakPolarHBondContact O-CA 3.11Å; N153-L157 PolarHBondContact O-N 3.12Å; N153-E158 PolarHBondContact N-O 3.47Å; N153-E160 PolarHBondContact ND2-OE1 2.94Å | ||
| 154 | L | 92.2 | Very high | 84.2 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.1 | -176.4 | -68.3 | 175.4 | 0 | 0 | 0 | 114.1 | I97 I141 L152 L157 | I97-L154 HydrophobicContact CD1-CD2 4.03Å; I141-L154 HydrophobicContact CD1-CD1 3.99Å; I141-L154 HydrophobicContact CD1-CD2 4.17Å; L152-L154 HydrophobicContact CD2-CD2 3.86Å; L152-L154 HydrophobicContact CG-CD2 4.2Å; L154-L157 VanDerWaalsContact O-CD2 3.31Å; L154-L157 WeakPolarHBondContact O-CD2 3.33Å |
| 155 | A | 91.1 | Very high | 84.3 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -49.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R84 N153 | R84-A155 VanDerWaalsContact CD-O 3.28Å; R84-A155 WeakPolarHBondContact CD-O 3.31Å; R84-A155 PolarHBondContact NE-O 3.42Å; N153-A155 PolarHBondContact O-N 3.46Å; N153-A155 WeakPolarHBondContact OD1-CB 3.19Å; N153-A155 PolarHBondContact OD1-N 2.88Å |
| 156 | T | 92.1 | Very high | 84.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -20.9 | 179 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | R84 N153 E158 | R84-T156 PolarHBondContact NH2-O 2.97Å; N153-T156 WeakPolarHBondContact CB-OG1 3.48Å; N153-T156 PolarHBondContact OD1-N 3.33Å; N153-T156 VanDerWaalsContact OD1-N 3.15Å; T156-E158 PolarHBondContact O-N 2.97Å; T156-E158 WeakPolarHBondContact OG1-CB 3.5Å; T156-E158 PolarHBondContact OG1-N 3.02Å |
| 157 | L | 93.4 | Very high | 85.3 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | trans | 62.4 | 19.8 | -169.6 | -62.4 | -175.7 | 0 | 0 | 0 | 114.4 | R84 I97 E99 I112 N153 L154 | R84-L157 HydrophobicContact CG-CD1 3.67Å; R84-L157 HydrophobicContact CG-CG 3.97Å; I97-L157 HydrophobicContact CG2-CD2 3.66Å; E99-L157 HydrophobicContact CB-CD1 4.11Å; E99-L157 HydrophobicContact CG-CD1 4Å; I112-L157 HydrophobicContact CD1-CB 3.42Å; I112-L157 VanDerWaalsContact CD1-CB 3.42Å; I112-L157 HydrophobicContact CD1-CD1 3.54Å; I112-L157 HydrophobicContact CD1-CD2 4.1Å; I112-L157 HydrophobicContact CD1-CG 3.87Å; I112-L157 HydrophobicContact CG1-CD1 4.08Å; N153-L157 WeakPolarHBondContact O-CA 3.11Å; N153-L157 PolarHBondContact O-N 3.12Å; L154-L157 VanDerWaalsContact O-CD2 3.31Å; L154-L157 WeakPolarHBondContact O-CD2 3.33Å | ||
| 158 | E | 91.1 | Very high | 86 | Confident | 132 Ų | 132 | 61.8 Ų | 61.8 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | trans | -95 | 153.8 | 178.8 | -62.1 | 177.3 | 160.4 | 0 | 0 | 111.3 | N153 T156 | N153-E158 PolarHBondContact N-O 3.47Å; T156-E158 PolarHBondContact O-N 2.97Å; T156-E158 WeakPolarHBondContact OG1-CB 3.5Å; T156-E158 PolarHBondContact OG1-N 3.02Å | ||
| 159 | I | 87.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 60 Ų | 60 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 108.8 | 174.3 | -58 | -65.5 | 0 | 0 | 0 | 108.2 | F113 I144 K148 L152 K161 | F113-I159 HydrophobicContact CE1-CD1 4.07Å; F113-I159 HydrophobicContact CE1-CG1 4.19Å; F113-I159 HydrophobicContact CZ-CD1 3.79Å; F113-I159 HydrophobicContact CZ-CG1 3.99Å; I144-I159 HydrophobicContact CG2-CD1 4.09Å; K148-I159 HydrophobicContact CB-CB 4.41Å; K148-I159 HydrophobicContact CB-CD1 3.89Å; K148-I159 HydrophobicContact CB-CG1 3.78Å; K148-I159 HydrophobicContact CB-CG2 3.9Å; K148-I159 HydrophobicContact CG-CD1 4.06Å; K148-I159 HydrophobicContact CG-CG1 4.03Å; L152-I159 HydrophobicContact CB-CD1 3.96Å; L152-I159 HydrophobicContact CD1-CD1 3.82Å; L152-I159 HydrophobicContact CG-CD1 4.44Å; I159-K161 PolarHBondContact O-N 3.23Å |
| 160 | E | 83.3 | Confident | 87.8 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 96 | 169.4 | -67 | 173 | -162.5 | 0 | 0 | 107.6 | G150 K151 N153 Q162 | G150-E160 CarbonylContact C-O 3.59Å; G150-E160 WeakPolarHBondContact CA-O 3.32Å; K151-E160 HydrophobicContact CB-CB 4.42Å; K151-E160 PolarHBondContact N-O 3.27Å; K151-E160 PolarHBondContact O-N 3.43Å; N153-E160 PolarHBondContact ND2-OE1 2.94Å; E160-Q162 PolarHBondContact O-N 3.03Å |
| 161 | K | 70.8 | Confident | 88.5 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 133.6 | 179.9 | -69.5 | -170.7 | 177.3 | -169.1 | 0 | 109.6 | I159 Y196 | I159-K161 PolarHBondContact O-N 3.23Å; K161-Y196 PolarHBondContact NZ-O 3.46Å; K161-Y196 VanDerWaalsContact NZ-O 3.1Å |
| 162 | Q | 69 | Low | 88.8 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 148.3 | 169.3 | -70.8 | -65.9 | -33.7 | 0 | 0 | 109 | G149 E160 G164 Y196 | G149-Q162 PolarHBondContact O-N 2.9Å; E160-Q162 PolarHBondContact O-N 3.03Å; Q162-G164 PolarHBondContact O-N 2.99Å; Q162-Y196 HydrophobicContact CB-CE2 3.8Å |
| 163 | P | 75.3 | Confident | 88.8 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 68% | 0.682 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 135.4 | 166.8 | -21.8 | 31.6 | 0 | 0 | 0 | 108.7 | ||
| 164 | G | 82.9 | Confident | 88.8 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q162 Y194 | Q162-G164 PolarHBondContact O-N 2.99Å; G164-Y194 CarbonylContact C-O 3.6Å; G164-Y194 WeakPolarHBondContact CA-O 3.39Å |
| 165 | F | 90.7 | Very high | 88.7 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -86.7 | 144.4 | 171.1 | -57.9 | -75 | 0 | 0 | 0 | 109.4 | D169 V171 V190 D193 Y194 I230 Y232 | F165-D169 HydrophobicContact CB-CB 4.2Å; F165-V171 HydrophobicContact CB-CG1 3.98Å; F165-V171 HydrophobicContact CD1-CG1 3.47Å; F165-V171 VanDerWaalsContact CD1-CG1 3.47Å; F165-V171 HydrophobicContact CD2-CG1 3.8Å; F165-V171 HydrophobicContact CE1-CG1 3.85Å; F165-V171 HydrophobicContact CE2-CG1 4.2Å; F165-V171 HydrophobicContact CG-CG1 3.45Å; F165-V171 VanDerWaalsContact CG-CG1 3.45Å; F165-V171 HydrophobicContact CZ-CG1 4.21Å; F165-V190 HydrophobicContact CB-CG2 4.07Å; F165-D193 CarbonylContact O-C 3.54Å; F165-D193 WeakPolarHBondContact O-CA 3.43Å; F165-Y194 AromaticContact CD2-CD1 3.59Å; F165-Y194 HydrophobicContact CD2-CD1 3.59Å; F165-Y194 HydrophobicContact CD2-CE1 4.14Å; F165-Y194 HydrophobicContact CE2-CD1 4.27Å; F165-Y194 HydrophobicContact CE2-CE1 4.38Å; F165-Y194 PolarHBondContact N-O 3.5Å; F165-Y194 PolarHBondContact O-N 3.04Å; F165-I230 HydrophobicContact CD2-CD1 3.84Å; F165-I230 HydrophobicContact CD2-CG1 4.22Å; F165-I230 HydrophobicContact CE2-CB 4.26Å; F165-I230 HydrophobicContact CE2-CD1 3.65Å; F165-I230 HydrophobicContact CE2-CG1 3.56Å; F165-I230 HydrophobicContact CE2-CG2 3.87Å; F165-I230 HydrophobicContact CZ-CG1 4.19Å; F165-Y232 HydrophobicContact CD1-CD1 4.24Å; F165-Y232 AromaticContact CD1-CE1 3.81Å; F165-Y232 HydrophobicContact CD1-CE1 3.81Å; F165-Y232 HydrophobicContact CD1-CE2 4.1Å; F165-Y232 AromaticContact CD1-CZ 3.73Å; F165-Y232 HydrophobicContact CE1-CD1 4.25Å; F165-Y232 AromaticContact CE1-CD2 3.91Å; F165-Y232 HydrophobicContact CE1-CD2 3.91Å; F165-Y232 HydrophobicContact CE1-CE1 4.14Å; F165-Y232 AromaticContact CE1-CE2 3.77Å; F165-Y232 HydrophobicContact CE1-CE2 3.77Å; F165-Y232 HydrophobicContact CE1-CG 4.15Å; F165-Y232 AromaticContact CE1-CZ 3.9Å |
| 166 | K | 93.4 | Very high | 88.7 | Confident | 119 Ų | 119 | 53 Ų | 53 | 52% | 0.517 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 156.8 | 180 | -63.8 | -52.7 | -168.9 | -175.3 | 0 | 111.4 | G168 D169 D193 | K166-G168 PolarHBondContact O-N 2.72Å; K166-D169 PolarHBondContact N-OD2 3.47Å; K166-D169 WeakPolarHBondContact O-CB 3.39Å; K166-D169 PolarHBondContact O-N 3.06Å; K166-D193 WeakPolarHBondContact CA-OD1 3.46Å; K166-D193 WeakPolarHBondContact CD-OD1 3.36Å; K166-D193 WeakPolarHBondContact CD-OD2 3.48Å; K166-D193 IonicContact NZ-OD2 2.91Å; K166-D193 PolarHBondContact NZ-OD2 3.34Å |
| 167 | D | 95 | Very high | 88.4 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 122.5 | 173.8 | 179 | 44.5 | 0 | 0 | 0 | 112.1 | G192 D193 Y203 K257 | D167-G192 VanDerWaalsContact CA-O 3.28Å; D167-G192 WeakPolarHBondContact CA-O 3.31Å; D167-G192 PolarHBondContact N-O 2.98Å; D167-G192 PolarHBondContact OD1-N 2.9Å; D167-D193 PolarHBondContact N-OD1 3.42Å; D167-D193 VanDerWaalsContact N-OD1 3.13Å; D167-Y203 WeakPolarHBondContact OD1-CE2 3.31Å; D167-Y203 PolarHBondContact OD1-OH 2.81Å; D167-K257 PolarHBondContact O-NZ 3.22Å; D167-K257 WeakPolarHBondContact OD2-CD 3.48Å; D167-K257 WeakPolarHBondContact OD2-CE 2.7Å; D167-K257 IonicContact OD2-NZ 3.12Å; D167-K257 PolarHBondContact OD2-NZ 2.66Å |
| 168 | G | 93.8 | Very high | 87.9 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -5.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | K166 V190 | K166-G168 PolarHBondContact O-N 2.72Å; G168-V190 PolarHBondContact N-O 3.26Å |
| 169 | D | 95.3 | Very high | 87.5 | Confident | 40 Ų | 40 | 58.7 Ų | 58.7 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | trans | -61.5 | 149.7 | 173.7 | -78.4 | -15 | 0 | 0 | 0 | 110.9 | F165 K166 V171 I189 V190 Y232 | F165-D169 HydrophobicContact CB-CB 4.2Å; K166-D169 PolarHBondContact N-OD2 3.47Å; K166-D169 WeakPolarHBondContact O-CB 3.39Å; K166-D169 PolarHBondContact O-N 3.06Å; D169-V171 HydrophobicContact CB-CG1 4.45Å; D169-I189 WeakPolarHBondContact O-CA 3.36Å; D169-V190 HydrophobicContact CB-CG2 4.15Å; D169-V190 WeakPolarHBondContact O-CG2 3.45Å; D169-V190 PolarHBondContact O-N 2.89Å; D169-Y232 HydrophobicContact CB-CE1 4.26Å | ||
| 170 | M | 95.1 | Very high | 87.3 | Confident | 28 Ų | 28 | 59 Ų | 59 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.2 | 174.1 | -67.3 | 173.8 | -171.1 | 0 | 0 | 109.5 | Y188 I189 A233 K238 F242 W252 | M170-Y188 WeakPolarHBondContact CA-O 3.35Å; M170-I189 HydrophobicContact CE-CD1 4.33Å; M170-I189 HydrophobicContact CG-CG1 4.47Å; M170-A233 HydrophobicContact CB-CB 4.19Å; M170-A233 WeakPolarHBondContact O-CB 3.19Å; M170-A233 PolarHBondContact O-N 3.05Å; M170-K238 HydrophobicContact CB-CG 4.2Å; M170-K238 HydrophobicContact SD-CB 4.4Å; M170-K238 HydrophobicContact SD-CD 4.13Å; M170-K238 HydrophobicContact SD-CG 3.92Å; M170-F242 HydrophobicContact CE-CE1 3.53Å; M170-F242 HydrophobicContact CE-CZ 3.43Å; M170-F242 VanDerWaalsContact CE-CZ 3.43Å; M170-F242 HydrophobicContact SD-CE1 3.97Å; M170-F242 HydrophobicContact SD-CE2 4.48Å; M170-F242 HydrophobicContact SD-CZ 3.53Å; M170-F242 VanDerWaalsContact SD-CZ 3.53Å; M170-W252 HydrophobicContact CE-CG 4.12Å |
| 171 | V | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.3 | -174 | -60 | 0 | 0 | 0 | 0 | 110.8 | F165 D169 T187 Y188 V190 L200 I230 R231 | F165-V171 HydrophobicContact CB-CG1 3.98Å; F165-V171 HydrophobicContact CD1-CG1 3.47Å; F165-V171 VanDerWaalsContact CD1-CG1 3.47Å; F165-V171 HydrophobicContact CD2-CG1 3.8Å; F165-V171 HydrophobicContact CE1-CG1 3.85Å; F165-V171 HydrophobicContact CE2-CG1 4.2Å; F165-V171 HydrophobicContact CG-CG1 3.45Å; F165-V171 VanDerWaalsContact CG-CG1 3.45Å; F165-V171 HydrophobicContact CZ-CG1 4.21Å; D169-V171 HydrophobicContact CB-CG1 4.45Å; V171-T187 CarbonylContact O-C 3.6Å; V171-T187 WeakPolarHBondContact O-CA 3.26Å; V171-Y188 PolarHBondContact N-O 2.93Å; V171-Y188 PolarHBondContact O-N 2.62Å; V171-V190 HydrophobicContact CB-CG2 4.37Å; V171-V190 HydrophobicContact CG1-CG2 3.75Å; V171-V190 HydrophobicContact CG2-CG2 3.67Å; V171-L200 HydrophobicContact CG2-CD1 4.4Å; V171-L200 HydrophobicContact CG2-CD2 3.99Å; V171-I230 HydrophobicContact CB-CD1 4.41Å; V171-I230 HydrophobicContact CB-CG1 4.19Å; V171-I230 HydrophobicContact CG2-CD1 4.15Å; V171-I230 HydrophobicContact CG2-CG1 4.36Å; V171-R231 CarbonylContact C-O 3.47Å; V171-R231 WeakPolarHBondContact CA-O 3.48Å; V171-R231 WeakPolarHBondContact CB-O 3.28Å |
| 172 | S | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132 | 172.2 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | E186 T187 I230 R231 A233 E237 | S172-E186 CarbonylContact C-O 3.48Å; S172-E186 VanDerWaalsContact CA-O 3.29Å; S172-E186 WeakPolarHBondContact CA-O 3.23Å; S172-T187 PolarHBondContact OG-OG1 3.2Å; S172-I230 WeakPolarHBondContact O-CA 3.4Å; S172-R231 PolarHBondContact N-O 3.27Å; S172-R231 PolarHBondContact O-N 3.5Å; S172-A233 WeakPolarHBondContact OG-CA 3.35Å; S172-A233 WeakPolarHBondContact OG-CB 3.32Å; S172-E237 VanDerWaalsContact OG-CD 3.31Å; S172-E237 PolarHBondContact OG-OE2 3.38Å; S172-E237 VanDerWaalsContact OG-OE2 3.09Å |
| 173 | L | 93.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 108.1 | 172.7 | -166.5 | 74.2 | 0 | 0 | 0 | 108.2 | I175 V185 E186 Y188 V218 P220 V228 F229 I230 | L173-I175 HydrophobicContact CD2-CD1 4.25Å; L173-I175 HydrophobicContact CD2-CG1 4.37Å; L173-I175 HydrophobicContact CG-CG1 4.35Å; L173-V185 WeakPolarHBondContact O-CA 3.33Å; L173-E186 HydrophobicContact CB-CB 4.44Å; L173-E186 PolarHBondContact N-O 3.43Å; L173-E186 PolarHBondContact O-N 3.33Å; L173-Y188 HydrophobicContact CB-CD2 4.16Å; L173-Y188 HydrophobicContact CB-CE2 3.7Å; L173-Y188 HydrophobicContact CD2-CE2 4.1Å; L173-V218 HydrophobicContact CD2-CG1 4.26Å; L173-V218 HydrophobicContact CD2-CG2 4Å; L173-P220 HydrophobicContact CD1-CB 3.79Å; L173-P220 HydrophobicContact CD1-CG 3.81Å; L173-V228 HydrophobicContact CD1-CG1 3.27Å; L173-V228 HydrophobicContact CD2-CG1 4.14Å; L173-V228 HydrophobicContact CG-CG1 3.66Å; L173-F229 CarbonylContact C-O 3.57Å; L173-F229 WeakPolarHBondContact CA-O 3.4Å; L173-I230 HydrophobicContact CD1-CB 4.21Å |
| 174 | E | 91.2 | Very high | 89.3 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.7 | 178.1 | -172.7 | -179.5 | 132.8 | 0 | 0 | 109.6 | R176 V183 I184 V185 V228 F229 R231 | E174-R176 HydrophobicContact CG-CG 4.45Å; E174-R176 IonicContact OE1-CZ 3.5Å; E174-R176 IonicContact OE1-NE 3.37Å; E174-R176 PolarHBondContact OE1-NE 2.81Å; E174-R176 IonicContact OE1-NH2 2.76Å; E174-R176 PolarHBondContact OE1-NH2 3.1Å; E174-V183 HydrophobicContact CG-CG1 3.53Å; E174-I184 CarbonylContact C-O 3.53Å; E174-I184 WeakPolarHBondContact CA-O 3.22Å; E174-V185 HydrophobicContact CG-CG2 4.2Å; E174-V228 CarbonylContact O-C 3.58Å; E174-V228 WeakPolarHBondContact O-CA 3.31Å; E174-F229 HydrophobicContact CB-CB 4.38Å; E174-F229 PolarHBondContact N-O 2.96Å; E174-F229 PolarHBondContact O-N 2.6Å; E174-R231 IonicContact OE2-NE 3.92Å; E174-R231 IonicContact OE2-NH2 2.6Å |
| 175 | I | 90.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.3 | -178.5 | -53.3 | 170.8 | 0 | 0 | 0 | 107.6 | L173 Y177 I184 R226 K227 V228 | L173-I175 HydrophobicContact CD2-CD1 4.25Å; L173-I175 HydrophobicContact CD2-CG1 4.37Å; L173-I175 HydrophobicContact CG-CG1 4.35Å; I175-Y177 HydrophobicContact CG2-CE2 4.09Å; I175-I184 HydrophobicContact CB-CB 4.29Å; I175-I184 PolarHBondContact N-O 3.09Å; I175-I184 PolarHBondContact O-N 2.77Å; I175-R226 HydrophobicContact CG2-CB 4.17Å; I175-R226 HydrophobicContact CG2-CG 4.34Å; I175-K227 CarbonylContact C-O 3.53Å; I175-K227 WeakPolarHBondContact CA-O 3.39Å; I175-V228 HydrophobicContact CG1-CG1 4.44Å; I175-V228 HydrophobicContact CG1-CG2 4.32Å; I175-V228 HydrophobicContact CG2-CG2 4.44Å |
| 176 | R | 89.8 | Confident | 89.9 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.8 | 175.3 | -55.1 | -170.2 | -173.3 | -168.8 | -4.1 | 109.7 | E174 V183 R226 K227 F229 | E174-R176 HydrophobicContact CG-CG 4.45Å; E174-R176 IonicContact OE1-CZ 3.5Å; E174-R176 IonicContact OE1-NE 3.37Å; E174-R176 PolarHBondContact OE1-NE 2.81Å; E174-R176 IonicContact OE1-NH2 2.76Å; E174-R176 PolarHBondContact OE1-NH2 3.1Å; R176-V183 HydrophobicContact CG-CG1 4.32Å; R176-V183 HydrophobicContact CG-CG2 4.16Å; R176-R226 CarbonylContact O-C 3.6Å; R176-R226 VanDerWaalsContact O-CA 3.23Å; R176-R226 WeakPolarHBondContact O-CA 3.42Å; R176-K227 PolarHBondContact N-O 3.13Å; R176-K227 PolarHBondContact O-N 3.22Å; R176-F229 HydrophobicContact CG-CD2 4.46Å; R176-F229 HydrophobicContact CG-CE2 4.09Å |
| 177 | Y | 87.4 | Confident | 90 | Very high | 88 Ų | 88 | 54 Ų | 54 | 35% | 0.345 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 143.6 | 173.6 | -69.8 | -91.3 | 0 | 0 | 0 | 110 | I175 I184 V225 R226 | I175-Y177 HydrophobicContact CG2-CE2 4.09Å; Y177-I184 HydrophobicContact CE2-CD1 3.81Å; Y177-I184 HydrophobicContact CE2-CG1 4.3Å; Y177-V225 WeakPolarHBondContact CA-O 3.19Å; Y177-R226 HydrophobicContact CD1-CB 4.12Å; Y177-R226 HydrophobicContact CE1-CB 4.28Å |
| 178 | I | 81.2 | Confident | 90.1 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -36.2 | -175.1 | -71.4 | 167.4 | 0 | 0 | 0 | 111.2 | S224 V225 K227 | I178-S224 WeakPolarHBondContact CD1-O 3.43Å; I178-V225 PolarHBondContact N-O 2.93Å; I178-K227 HydrophobicContact CD1-CG 4.46Å; I178-K227 HydrophobicContact CG1-CG 4.4Å |
| 179 | D | 83.4 | Confident | 90.3 | Very high | 151 Ų | 151 | 51.9 Ų | 51.9 | 81% | 0.807 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 16.5 | -178.1 | -56.1 | -44.4 | 0 | 0 | 0 | 113.1 | ||
| 180 | S | 84 | Confident | 90.3 | Very high | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -143.2 | 149.1 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | D182 | S180-D182 PolarHBondContact O-N 3.07Å; S180-D182 WeakPolarHBondContact OG-CB 3.46Å; S180-D182 PolarHBondContact OG-N 3.03Å; S180-D182 PolarHBondContact OG-OD2 3.01Å |
| 181 | E | 81.2 | Confident | 90.3 | Very high | 191 Ų | 191 | 52.8 Ų | 52.8 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | trans | -75 | -4.3 | 169 | -62.9 | -172.8 | 169.5 | 0 | 0 | 112.4 | V183 | E181-V183 PolarHBondContact O-N 3.15Š| ||
| 182 | D | 83.2 | Confident | 90.2 | Very high | 105 Ų | 105 | 54 Ų | 54 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | trans | -63.8 | 123.4 | 179.7 | -65.3 | -42.7 | 0 | 0 | 0 | 111.9 | S180 | S180-D182 PolarHBondContact O-N 3.07Å; S180-D182 WeakPolarHBondContact OG-CB 3.46Å; S180-D182 PolarHBondContact OG-N 3.03Å; S180-D182 PolarHBondContact OG-OD2 3.01Å | ||
| 183 | V | 85.6 | Confident | 90.1 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.5 | 171.1 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | E174 R176 E181 V185 | E174-V183 HydrophobicContact CG-CG1 3.53Å; R176-V183 HydrophobicContact CG-CG1 4.32Å; R176-V183 HydrophobicContact CG-CG2 4.16Å; E181-V183 PolarHBondContact O-N 3.15Å; V183-V185 HydrophobicContact CG1-CG2 4.2Å |
| 184 | I | 89.7 | Confident | 90 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.8 | 172 | -58 | 179.1 | 0 | 0 | 0 | 107.7 | E174 I175 Y177 E186 | E174-I184 CarbonylContact C-O 3.53Å; E174-I184 WeakPolarHBondContact CA-O 3.22Å; I175-I184 HydrophobicContact CB-CB 4.29Å; I175-I184 PolarHBondContact N-O 3.09Å; I175-I184 PolarHBondContact O-N 2.77Å; Y177-I184 HydrophobicContact CE2-CD1 3.81Å; Y177-I184 HydrophobicContact CE2-CG1 4.3Å; I184-E186 HydrophobicContact CG2-CG 4.1Å |
| 185 | V | 92 | Very high | 89.6 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.9 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | L173 E174 V183 N208 E237 | L173-V185 WeakPolarHBondContact O-CA 3.33Å; E174-V185 HydrophobicContact CG-CG2 4.2Å; V183-V185 HydrophobicContact CG1-CG2 4.2Å; V185-N208 PolarHBondContact N-ND2 3.46Å; V185-N208 VanDerWaalsContact N-ND2 3.15Å; V185-N208 VanDerWaalsContact O-CG 3.32Å; V185-N208 PolarHBondContact O-N 3.42Å; V185-N208 PolarHBondContact O-OD1 2.95Å; V185-E237 HydrophobicContact CG1-CG 4.37Å; V185-E237 WeakPolarHBondContact CG1-OE1 3.5Å |
| 186 | E | 94.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.5 | 174.8 | -58.8 | 179.4 | 146 | 0 | 0 | 108.3 | S172 L173 I184 Y188 C206 N207 | S172-E186 CarbonylContact C-O 3.48Å; S172-E186 VanDerWaalsContact CA-O 3.29Å; S172-E186 WeakPolarHBondContact CA-O 3.23Å; L173-E186 HydrophobicContact CB-CB 4.44Å; L173-E186 PolarHBondContact N-O 3.43Å; L173-E186 PolarHBondContact O-N 3.33Å; I184-E186 HydrophobicContact CG2-CG 4.1Å; E186-Y188 HydrophobicContact CB-CD2 4.44Å; E186-Y188 HydrophobicContact CB-CE2 3.49Å; E186-Y188 VanDerWaalsContact CB-CE2 3.49Å; E186-Y188 VanDerWaalsContact CD-OH 3.27Å; E186-Y188 PolarHBondContact OE2-OH 3.26Å; E186-C206 CarbonylContact C-O 3.49Å; E186-C206 WeakPolarHBondContact CA-O 3.28Å; E186-N207 HydrophobicContact CG-CB 4.06Å |
| 187 | T | 96 | Very high | 88.6 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.8 | -176.3 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | V171 S172 G205 C206 A233 E237 L241 | V171-T187 CarbonylContact O-C 3.6Å; V171-T187 WeakPolarHBondContact O-CA 3.26Å; S172-T187 PolarHBondContact OG-OG1 3.2Å; T187-G205 CarbonylContact O-C 3.6Å; T187-G205 WeakPolarHBondContact O-CA 3.44Å; T187-C206 PolarHBondContact N-O 2.88Å; T187-C206 PolarHBondContact O-N 3Å; T187-A233 HydrophobicContact CG2-CB 3.78Å; T187-E237 HydrophobicContact CG2-CB 4.35Å; T187-E237 WeakPolarHBondContact OG1-CB 3.36Å; T187-L241 HydrophobicContact CG2-CB 4.37Å; T187-L241 HydrophobicContact CG2-CD2 4.08Å |
| 188 | Y | 96.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 146.5 | -170.6 | -61.2 | -75.9 | 0 | 0 | 0 | 111.4 | M170 V171 L173 E186 L200 F202 A204 V218 | M170-Y188 WeakPolarHBondContact CA-O 3.35Å; V171-Y188 PolarHBondContact N-O 2.93Å; V171-Y188 PolarHBondContact O-N 2.62Å; L173-Y188 HydrophobicContact CB-CD2 4.16Å; L173-Y188 HydrophobicContact CB-CE2 3.7Å; L173-Y188 HydrophobicContact CD2-CE2 4.1Å; E186-Y188 HydrophobicContact CB-CD2 4.44Å; E186-Y188 HydrophobicContact CB-CE2 3.49Å; E186-Y188 VanDerWaalsContact CB-CE2 3.49Å; E186-Y188 VanDerWaalsContact CD-OH 3.27Å; E186-Y188 PolarHBondContact OE2-OH 3.26Å; Y188-L200 HydrophobicContact CD2-CD2 3.96Å; Y188-L200 HydrophobicContact CG-CD2 4.19Å; Y188-F202 HydrophobicContact CD1-CB 4.07Å; Y188-F202 AromaticContact CD1-CD1 3.45Å; Y188-F202 HydrophobicContact CD1-CD1 3.45Å; Y188-F202 VanDerWaalsContact CD1-CD1 3.45Å; Y188-F202 AromaticContact CD1-CD2 3.85Å; Y188-F202 HydrophobicContact CD1-CD2 3.85Å; Y188-F202 AromaticContact CD1-CE1 3.71Å; Y188-F202 HydrophobicContact CD1-CE1 3.71Å; Y188-F202 HydrophobicContact CD1-CE2 4.09Å; Y188-F202 AromaticContact CD1-CG 3.52Å; Y188-F202 HydrophobicContact CD1-CG 3.52Å; Y188-F202 HydrophobicContact CD1-CZ 4Å; Y188-F202 AromaticContact CE1-CD1 3.77Å; Y188-F202 HydrophobicContact CE1-CD1 3.77Å; Y188-F202 HydrophobicContact CE1-CD2 4.34Å; Y188-F202 AromaticContact CE1-CE1 3.5Å; Y188-F202 HydrophobicContact CE1-CE1 3.5Å; Y188-F202 VanDerWaalsContact CE1-CE1 3.5Å; Y188-F202 HydrophobicContact CE1-CE2 4.11Å; Y188-F202 HydrophobicContact CE1-CG 4.18Å; Y188-F202 AromaticContact CE1-CZ 3.67Å; Y188-F202 HydrophobicContact CE1-CZ 3.67Å; Y188-F202 HydrophobicContact CG-CB 4.46Å; Y188-F202 HydrophobicContact CG-CD1 4.23Å; Y188-F202 HydrophobicContact CG-CG 4.33Å; Y188-A204 CarbonylContact C-O 3.42Å; Y188-A204 WeakPolarHBondContact CA-O 3.08Å; Y188-V218 HydrophobicContact CE1-CG1 4.48Å; Y188-V218 HydrophobicContact CE2-CG1 4.12Å |
| 189 | I | 96.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.6 | 165 | -44.5 | -174.1 | 0 | 0 | 0 | 107.3 | D169 M170 H191 F202 Y203 A204 L241 L245 W252 | D169-I189 WeakPolarHBondContact O-CA 3.36Å; M170-I189 HydrophobicContact CE-CD1 4.33Å; M170-I189 HydrophobicContact CG-CG1 4.47Å; I189-H191 PolarHBondContact O-N 2.97Å; I189-F202 CarbonylContact O-C 3.46Å; I189-F202 WeakPolarHBondContact O-CA 3.41Å; I189-F202 WeakPolarHBondContact O-CB 3.18Å; I189-Y203 HydrophobicContact CG2-CD2 4.14Å; I189-Y203 PolarHBondContact O-N 2.72Å; I189-A204 HydrophobicContact CD1-CB 4.41Å; I189-A204 PolarHBondContact N-O 2.89Å; I189-L241 HydrophobicContact CD1-CD2 4.04Å; I189-L241 HydrophobicContact CG1-CD2 3.57Å; I189-L245 HydrophobicContact CD1-CD1 4.49Å; I189-W252 HydrophobicContact CD1-CB 3.8Å; I189-W252 HydrophobicContact CD1-CD2 3.52Å; I189-W252 HydrophobicContact CD1-CE3 3.69Å; I189-W252 HydrophobicContact CD1-CG 3.58Å; I189-W252 HydrophobicContact CD1-CZ3 4.45Å; I189-W252 HydrophobicContact CG2-CD2 3.92Å; I189-W252 HydrophobicContact CG2-CE3 4.08Å; I189-W252 HydrophobicContact CG2-CH2 3.63Å; I189-W252 HydrophobicContact CG2-CZ2 3.44Å; I189-W252 VanDerWaalsContact CG2-CZ2 3.44Å; I189-W252 HydrophobicContact CG2-CZ3 3.95Å |
| 190 | V | 96.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 134.2 | -174.1 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | F165 G168 D169 V171 G192 L200 Y203 | F165-V190 HydrophobicContact CB-CG2 4.07Å; G168-V190 PolarHBondContact N-O 3.26Å; D169-V190 HydrophobicContact CB-CG2 4.15Å; D169-V190 WeakPolarHBondContact O-CG2 3.45Å; D169-V190 PolarHBondContact O-N 2.89Å; V171-V190 HydrophobicContact CB-CG2 4.37Å; V171-V190 HydrophobicContact CG1-CG2 3.75Å; V171-V190 HydrophobicContact CG2-CG2 3.67Å; V190-G192 WeakPolarHBondContact CG1-O 3.45Å; V190-L200 HydrophobicContact CG1-CD1 4.01Å; V190-L200 HydrophobicContact CG2-CD1 4.03Å; V190-Y203 WeakPolarHBondContact O-CD2 3.19Å; V190-Y203 WeakPolarHBondContact O-CE2 3.14Å |
| 191 | H | 95.3 | Very high | 89.9 | Confident | 86 Ų | 86 | 55.3 Ų | 55.3 | 40% | 0.398 | 30% | 0.298 | S | S | . | . | trans | -108.9 | 109.7 | 174.1 | 179.7 | -47.5 | 0 | 0 | 0 | 109.6 | I189 N201 Y203 | I189-H191 PolarHBondContact O-N 2.97Å; H191-N201 HydrophobicContact CB-CB 4.16Å; H191-N201 PolarHBondContact N-O 3.43Å; H191-N201 WeakPolarHBondContact O-CB 3.22Å; H191-Y203 HydrophobicContact CB-CD1 4.45Å; H191-Y203 HydrophobicContact CB-CD2 3.79Å; H191-Y203 HydrophobicContact CB-CE1 4.45Å; H191-Y203 HydrophobicContact CB-CE2 3.79Å; H191-Y203 HydrophobicContact CB-CG 4.14Å; H191-Y203 AromaticContact CD2-CD1 3.5Å; H191-Y203 VanDerWaalsContact CD2-CD1 3.5Å; H191-Y203 WeakPolarHBondContact CD2-CD1 3.45Å; H191-Y203 AromaticContact CD2-CE1 3.23Å; H191-Y203 WeakPolarHBondContact CD2-CE1 3.38Å; H191-Y203 AromaticContact CD2-CZ 3.57Å; H191-Y203 AromaticContact CG-CE1 3.94Å; H191-Y203 AromaticContact CG-CZ 3.82Å; H191-Y203 AromaticContact NE2-CE1 3.76Å | ||
| 192 | G | 92.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 80 | 176.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D167 V190 | D167-G192 VanDerWaalsContact CA-O 3.28Å; D167-G192 WeakPolarHBondContact CA-O 3.31Å; D167-G192 PolarHBondContact N-O 2.98Å; D167-G192 PolarHBondContact OD1-N 2.9Å; V190-G192 WeakPolarHBondContact CG1-O 3.45Å |
| 193 | D | 91.8 | Very high | 91.2 | Very high | 89 Ų | 89 | 42.7 Ų | 42.7 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | trans | -76.6 | 136.5 | 173.3 | -77.6 | 8 | 0 | 0 | 0 | 109.8 | F165 K166 D167 | F165-D193 CarbonylContact O-C 3.54Å; F165-D193 WeakPolarHBondContact O-CA 3.43Å; K166-D193 WeakPolarHBondContact CA-OD1 3.46Å; K166-D193 WeakPolarHBondContact CD-OD1 3.36Å; K166-D193 WeakPolarHBondContact CD-OD2 3.48Å; K166-D193 IonicContact NZ-OD2 2.91Å; K166-D193 PolarHBondContact NZ-OD2 3.34Å; D167-D193 PolarHBondContact N-OD1 3.42Å; D167-D193 VanDerWaalsContact N-OD1 3.13Å | ||
| 194 | Y | 90 | Very high | 91.6 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -108.3 | 127.1 | 177.4 | 168.4 | -94.9 | 0 | 0 | 0 | 111 | G164 F165 Y196 E198 L200 P220 I230 | G164-Y194 CarbonylContact C-O 3.6Å; G164-Y194 WeakPolarHBondContact CA-O 3.39Å; F165-Y194 AromaticContact CD2-CD1 3.59Å; F165-Y194 HydrophobicContact CD2-CD1 3.59Å; F165-Y194 HydrophobicContact CD2-CE1 4.14Å; F165-Y194 HydrophobicContact CE2-CD1 4.27Å; F165-Y194 HydrophobicContact CE2-CE1 4.38Å; F165-Y194 PolarHBondContact N-O 3.5Å; F165-Y194 PolarHBondContact O-N 3.04Å; Y194-Y196 HydrophobicContact CE1-CD1 4.45Å; Y194-Y196 HydrophobicContact CE1-CG 4.4Å; Y194-E198 WeakPolarHBondContact CE2-O 3.45Å; Y194-L200 HydrophobicContact CD1-CD1 4.4Å; Y194-L200 HydrophobicContact CD2-CB 3.9Å; Y194-L200 HydrophobicContact CD2-CD1 3.63Å; Y194-L200 HydrophobicContact CD2-CG 4.42Å; Y194-L200 HydrophobicContact CE2-CB 3.91Å; Y194-L200 HydrophobicContact CE2-CD1 4.25Å; Y194-L200 HydrophobicContact CG-CD1 3.69Å; Y194-P220 HydrophobicContact CE2-CG 4.42Å; Y194-I230 HydrophobicContact CD1-CD1 4.23Å; Y194-I230 HydrophobicContact CE1-CD1 3.86Å; Y194-I230 HydrophobicContact CE1-CG2 4.36Å |
| 195 | N | 84.6 | Confident | 91.9 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | trans | -107.9 | 146.4 | 166.9 | -53.8 | -72.8 | 0 | 0 | 0 | 112.2 | G197 E198 | N195-G197 PolarHBondContact O-N 3.44Å; N195-E198 HydrophobicContact CB-CG 4.44Å; N195-E198 WeakPolarHBondContact CB-OE2 3.38Å; N195-E198 PolarHBondContact N-OE2 2.93Å; N195-E198 PolarHBondContact ND2-OE2 2.57Å; N195-E198 VanDerWaalsContact ND2-OE2 3.13Å; N195-E198 WeakPolarHBondContact O-CB 3.46Å; N195-E198 PolarHBondContact O-N 3.01Å; N195-E198 VanDerWaalsContact O-N 3.08Å | ||
| 196 | Y | 79.4 | Confident | 91.9 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 16% | 0.161 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 121.6 | 177.7 | -72.4 | -91.9 | 0 | 0 | 0 | 112.2 | K161 Q162 Y194 I230 | K161-Y196 PolarHBondContact NZ-O 3.46Å; K161-Y196 VanDerWaalsContact NZ-O 3.1Å; Q162-Y196 HydrophobicContact CB-CE2 3.8Å; Y194-Y196 HydrophobicContact CE1-CD1 4.45Å; Y194-Y196 HydrophobicContact CE1-CG 4.4Å; Y196-I230 HydrophobicContact CD1-CG2 4.07Å; Y196-I230 HydrophobicContact CE1-CG2 3.38Å |
| 197 | G | 78.1 | Confident | 91.6 | Very high | 63 Ų | 63 | 36.2 Ų | 36.2 | 65% | 0.649 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 108.3 | -11.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N195 | N195-G197 PolarHBondContact O-N 3.44Š|
| 198 | E | 84.2 | Confident | 90.9 | Very high | 98 Ų | 98 | 39.9 Ų | 39.9 | 46% | 0.458 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -90.4 | 175.5 | 177.4 | -61 | 176.9 | 158.6 | 0 | 0 | 111.7 | Y194 N195 | Y194-E198 WeakPolarHBondContact CE2-O 3.45Å; N195-E198 HydrophobicContact CB-CG 4.44Å; N195-E198 WeakPolarHBondContact CB-OE2 3.38Å; N195-E198 PolarHBondContact N-OE2 2.93Å; N195-E198 PolarHBondContact ND2-OE2 2.57Å; N195-E198 VanDerWaalsContact ND2-OE2 3.13Å; N195-E198 WeakPolarHBondContact O-CB 3.46Å; N195-E198 PolarHBondContact O-N 3.01Å; N195-E198 VanDerWaalsContact O-N 3.08Å |
| 199 | E | 91.1 | Very high | 90.3 | Very high | 101 Ų | 101 | 46.2 Ų | 46.2 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | trans | -76.1 | 132.9 | 167.5 | -64.8 | -174.1 | 171.9 | 0 | 0 | 109.8 | N201 C217 K219 | E199-N201 PolarHBondContact O-N 3.35Å; E199-C217 HydrophobicContact CB-CB 4.46Å; E199-C217 PolarHBondContact OE2-SG 2.64Å; E199-K219 HydrophobicContact CG-CB 4.25Å; E199-K219 HydrophobicContact CG-CD 4.37Å; E199-K219 HydrophobicContact CG-CG 4.17Å | ||
| 200 | L | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 102.2 | 173.1 | 179.9 | 71.4 | 0 | 0 | 0 | 108.7 | V171 Y188 V190 Y194 C217 V218 P220 I230 | V171-L200 HydrophobicContact CG2-CD1 4.4Å; V171-L200 HydrophobicContact CG2-CD2 3.99Å; Y188-L200 HydrophobicContact CD2-CD2 3.96Å; Y188-L200 HydrophobicContact CG-CD2 4.19Å; V190-L200 HydrophobicContact CG1-CD1 4.01Å; V190-L200 HydrophobicContact CG2-CD1 4.03Å; Y194-L200 HydrophobicContact CD1-CD1 4.4Å; Y194-L200 HydrophobicContact CD2-CB 3.9Å; Y194-L200 HydrophobicContact CD2-CD1 3.63Å; Y194-L200 HydrophobicContact CD2-CG 4.42Å; Y194-L200 HydrophobicContact CE2-CB 3.91Å; Y194-L200 HydrophobicContact CE2-CD1 4.25Å; Y194-L200 HydrophobicContact CG-CD1 3.69Å; L200-C217 CarbonylContact O-C 3.45Å; L200-C217 WeakPolarHBondContact O-CA 3.32Å; L200-V218 WeakPolarHBondContact CA-O 3.37Å; L200-V218 HydrophobicContact CB-CG1 3.92Å; L200-V218 WeakPolarHBondContact CB-O 3.2Å; L200-V218 HydrophobicContact CD2-CG1 3.86Å; L200-V218 HydrophobicContact CG-CG1 4.31Å; L200-V218 PolarHBondContact N-O 2.99Å; L200-V218 PolarHBondContact O-N 3.41Å; L200-P220 HydrophobicContact CB-CG 4.24Å; L200-I230 HydrophobicContact CD1-CD1 4.09Å; L200-I230 HydrophobicContact CD2-CD1 3.9Å |
| 201 | N | 95.1 | Very high | 89 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.9 | 168.9 | -61.7 | -65.5 | 0 | 0 | 0 | 109.7 | H191 E199 C217 | H191-N201 HydrophobicContact CB-CB 4.16Å; H191-N201 PolarHBondContact N-O 3.43Å; H191-N201 WeakPolarHBondContact O-CB 3.22Å; E199-N201 PolarHBondContact O-N 3.35Å; N201-C217 WeakPolarHBondContact OD1-CB 3.45Å |
| 202 | F | 96.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146.1 | -178.8 | 58.2 | -98.5 | 0 | 0 | 0 | 113.6 | Y188 I189 K213 N215 S216 V218 | Y188-F202 HydrophobicContact CD1-CB 4.07Å; Y188-F202 AromaticContact CD1-CD1 3.45Å; Y188-F202 HydrophobicContact CD1-CD1 3.45Å; Y188-F202 VanDerWaalsContact CD1-CD1 3.45Å; Y188-F202 AromaticContact CD1-CD2 3.85Å; Y188-F202 HydrophobicContact CD1-CD2 3.85Å; Y188-F202 AromaticContact CD1-CE1 3.71Å; Y188-F202 HydrophobicContact CD1-CE1 3.71Å; Y188-F202 HydrophobicContact CD1-CE2 4.09Å; Y188-F202 AromaticContact CD1-CG 3.52Å; Y188-F202 HydrophobicContact CD1-CG 3.52Å; Y188-F202 HydrophobicContact CD1-CZ 4Å; Y188-F202 AromaticContact CE1-CD1 3.77Å; Y188-F202 HydrophobicContact CE1-CD1 3.77Å; Y188-F202 HydrophobicContact CE1-CD2 4.34Å; Y188-F202 AromaticContact CE1-CE1 3.5Å; Y188-F202 HydrophobicContact CE1-CE1 3.5Å; Y188-F202 VanDerWaalsContact CE1-CE1 3.5Å; Y188-F202 HydrophobicContact CE1-CE2 4.11Å; Y188-F202 HydrophobicContact CE1-CG 4.18Å; Y188-F202 AromaticContact CE1-CZ 3.67Å; Y188-F202 HydrophobicContact CE1-CZ 3.67Å; Y188-F202 HydrophobicContact CG-CB 4.46Å; Y188-F202 HydrophobicContact CG-CD1 4.23Å; Y188-F202 HydrophobicContact CG-CG 4.33Å; I189-F202 CarbonylContact O-C 3.46Å; I189-F202 WeakPolarHBondContact O-CA 3.41Å; I189-F202 WeakPolarHBondContact O-CB 3.18Å; F202-K213 HydrophobicContact CE2-CB 3.99Å; F202-K213 HydrophobicContact CZ-CB 4.29Å; F202-N215 VanDerWaalsContact O-CA 3.25Å; F202-N215 WeakPolarHBondContact O-CA 3.04Å; F202-N215 PolarHBondContact O-N 2.94Å; F202-S216 VanDerWaalsContact CD1-O 3.31Å; F202-S216 WeakPolarHBondContact CD1-O 3.47Å; F202-S216 PolarHBondContact N-O 3.15Å; F202-S216 PolarHBondContact O-N 3.38Å; F202-V218 HydrophobicContact CD1-CG1 4.43Å; F202-V218 HydrophobicContact CE1-CB 4.29Å; F202-V218 HydrophobicContact CE1-CG1 4.21Å |
| 203 | Y | 95.1 | Very high | 88.8 | Confident | 28 Ų | 28 | 56 Ų | 56 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -46.8 | 173.1 | -68.3 | -78.5 | 0 | 0 | 0 | 111.2 | D167 I189 V190 H191 H214 N215 W252 K257 | D167-Y203 WeakPolarHBondContact OD1-CE2 3.31Å; D167-Y203 PolarHBondContact OD1-OH 2.81Å; I189-Y203 HydrophobicContact CG2-CD2 4.14Å; I189-Y203 PolarHBondContact O-N 2.72Å; V190-Y203 WeakPolarHBondContact O-CD2 3.19Å; V190-Y203 WeakPolarHBondContact O-CE2 3.14Å; H191-Y203 HydrophobicContact CB-CD1 4.45Å; H191-Y203 HydrophobicContact CB-CD2 3.79Å; H191-Y203 HydrophobicContact CB-CE1 4.45Å; H191-Y203 HydrophobicContact CB-CE2 3.79Å; H191-Y203 HydrophobicContact CB-CG 4.14Å; H191-Y203 AromaticContact CD2-CD1 3.5Å; H191-Y203 VanDerWaalsContact CD2-CD1 3.5Å; H191-Y203 WeakPolarHBondContact CD2-CD1 3.45Å; H191-Y203 AromaticContact CD2-CE1 3.23Å; H191-Y203 WeakPolarHBondContact CD2-CE1 3.38Å; H191-Y203 AromaticContact CD2-CZ 3.57Å; H191-Y203 AromaticContact CG-CE1 3.94Å; H191-Y203 AromaticContact CG-CZ 3.82Å; H191-Y203 AromaticContact NE2-CE1 3.76Å; Y203-H214 CarbonylContact O-C 3.54Å; Y203-H214 VanDerWaalsContact O-CA 3.25Å; Y203-H214 WeakPolarHBondContact O-CA 3.22Å; Y203-N215 PolarHBondContact O-N 2.88Å; Y203-W252 HydrophobicContact CD1-CH2 4.42Å; Y203-W252 HydrophobicContact CD1-CZ3 4.12Å; Y203-W252 AromaticContact CD2-CH2 3.34Å; Y203-W252 HydrophobicContact CD2-CH2 3.34Å; Y203-W252 HydrophobicContact CD2-CZ2 4.42Å; Y203-W252 AromaticContact CD2-CZ3 3.63Å; Y203-W252 HydrophobicContact CD2-CZ3 3.63Å; Y203-W252 AromaticContact CE2-CH2 3.6Å; Y203-W252 HydrophobicContact CE2-CH2 3.6Å; Y203-W252 HydrophobicContact CE2-CZ3 4.23Å; Y203-W252 AromaticContact CG-CH2 3.79Å; Y203-W252 HydrophobicContact CG-CH2 3.79Å; Y203-W252 AromaticContact CG-CZ3 3.55Å; Y203-W252 HydrophobicContact CG-CZ3 3.55Å; Y203-K257 WeakPolarHBondContact CE1-O 3.38Å; Y203-K257 PolarHBondContact OH-O 2.84Å |
| 204 | A | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y188 I189 I212 K213 L241 L245 V259 | Y188-A204 CarbonylContact C-O 3.42Å; Y188-A204 WeakPolarHBondContact CA-O 3.08Å; I189-A204 HydrophobicContact CD1-CB 4.41Å; I189-A204 PolarHBondContact N-O 2.89Å; A204-I212 HydrophobicContact CB-CG2 4.48Å; A204-K213 CarbonylContact C-O 3.57Å; A204-K213 VanDerWaalsContact CA-O 3.26Å; A204-K213 WeakPolarHBondContact CA-O 3.4Å; A204-L241 HydrophobicContact CB-CD1 4.38Å; A204-L245 HydrophobicContact CB-CD2 4.09Å; A204-V259 HydrophobicContact CB-CG2 4.06Å |
| 205 | G | 95.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T187 I212 K213 | T187-G205 CarbonylContact O-C 3.6Å; T187-G205 WeakPolarHBondContact O-CA 3.44Å; G205-I212 CarbonylContact O-C 3.58Å; G205-I212 VanDerWaalsContact O-CA 3.26Å; G205-I212 WeakPolarHBondContact O-CA 3.3Å; G205-K213 PolarHBondContact N-O 2.95Å; G205-K213 PolarHBondContact O-N 2.84Å |
| 206 | C | 92.7 | Very high | 89.2 | Confident | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.5 | 178.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | E186 T187 M211 L241 | E186-C206 CarbonylContact C-O 3.49Å; E186-C206 WeakPolarHBondContact CA-O 3.28Å; T187-C206 PolarHBondContact N-O 2.88Å; T187-C206 PolarHBondContact O-N 3Å; C206-M211 WeakPolarHBondContact CA-O 3.35Å; C206-L241 HydrophobicContact CB-CB 4.23Å; C206-L241 HydrophobicContact CB-CD1 3.53Å; C206-L241 HydrophobicContact CB-CG 4.47Å |
| 207 | N | 88.5 | Confident | 89.8 | Confident | 37 Ų | 37 | 59 Ų | 59 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 172.2 | 172.8 | 69.8 | 9.2 | 0 | 0 | 0 | 111.9 | E186 L209 G210 M211 Q240 | E186-N207 HydrophobicContact CG-CB 4.06Å; N207-L209 PolarHBondContact O-N 3.09Å; N207-L209 WeakPolarHBondContact OD1-CA 3.28Å; N207-L209 WeakPolarHBondContact OD1-CB 3.43Å; N207-L209 PolarHBondContact OD1-N 3.44Å; N207-L209 VanDerWaalsContact OD1-N 3.08Å; N207-G210 PolarHBondContact O-N 2.79Å; N207-G210 PolarHBondContact OD1-N 2.83Å; N207-M211 PolarHBondContact N-O 2.97Å; N207-M211 WeakPolarHBondContact OD1-CB 3.16Å; N207-M211 PolarHBondContact OD1-N 3.32Å; N207-Q240 PolarHBondContact O-NE2 2.93Å |
| 208 | N | 82.3 | Confident | 90.5 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -20.6 | 177.2 | -73.6 | -11.4 | 0 | 0 | 0 | 114.9 | V185 G210 Q240 | V185-N208 PolarHBondContact N-ND2 3.46Å; V185-N208 VanDerWaalsContact N-ND2 3.15Å; V185-N208 VanDerWaalsContact O-CG 3.32Å; V185-N208 PolarHBondContact O-N 3.42Å; V185-N208 PolarHBondContact O-OD1 2.95Å; N208-G210 VanDerWaalsContact C-N 3.32Å; N208-Q240 PolarHBondContact O-NE2 2.79Å |
| 209 | L | 82.7 | Confident | 90.7 | Very high | 146 Ų | 146 | 58.4 Ų | 58.4 | 76% | 0.764 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -1.5 | 177.1 | -59.8 | 174.5 | 0 | 0 | 0 | 113.3 | N207 M211 | N207-L209 PolarHBondContact O-N 3.09Å; N207-L209 WeakPolarHBondContact OD1-CA 3.28Å; N207-L209 WeakPolarHBondContact OD1-CB 3.43Å; N207-L209 PolarHBondContact OD1-N 3.44Å; N207-L209 VanDerWaalsContact OD1-N 3.08Å; L209-M211 VanDerWaalsContact C-N 3.29Å; L209-M211 HydrophobicContact CB-CG 4.36Å; L209-M211 PolarHBondContact O-N 2.76Å |
| 210 | G | 80.5 | Confident | 90.5 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | trans | 77.6 | 11.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N207 N208 | N207-G210 PolarHBondContact O-N 2.79Å; N207-G210 PolarHBondContact OD1-N 2.83Å; N208-G210 VanDerWaalsContact C-N 3.32Å | ||
| 211 | M | 86.6 | Confident | 89.9 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 62% | 0.621 | 31% | 0.307 | S | S | * | . | trans | -77 | 135.1 | 174.3 | -61.3 | -178.7 | 68.5 | 0 | 0 | 109.8 | C206 N207 L209 | C206-M211 WeakPolarHBondContact CA-O 3.35Å; N207-M211 PolarHBondContact N-O 2.97Å; N207-M211 WeakPolarHBondContact OD1-CB 3.16Å; N207-M211 PolarHBondContact OD1-N 3.32Å; L209-M211 VanDerWaalsContact C-N 3.29Å; L209-M211 HydrophobicContact CB-CG 4.36Å; L209-M211 PolarHBondContact O-N 2.76Å | ||
| 212 | I | 90.3 | Very high | 89.1 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 14% | 0.138 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.3 | -179 | -53.1 | 172.8 | 0 | 0 | 0 | 110.6 | A204 G205 H214 A244 L245 E248 | A204-I212 HydrophobicContact CB-CG2 4.48Å; G205-I212 CarbonylContact O-C 3.58Å; G205-I212 VanDerWaalsContact O-CA 3.26Å; G205-I212 WeakPolarHBondContact O-CA 3.3Å; I212-H214 WeakPolarHBondContact CG2-NE2 3.29Å; I212-A244 HydrophobicContact CD1-CB 3.42Å; I212-A244 VanDerWaalsContact CD1-CB 3.42Å; I212-A244 WeakPolarHBondContact CD1-O 3.43Å; I212-A244 HydrophobicContact CG1-CB 3.54Å; I212-L245 HydrophobicContact CD1-CD2 4.18Å; I212-L245 HydrophobicContact CD1-CG 4.43Å; I212-L245 HydrophobicContact CG2-CD2 4.3Å; I212-E248 HydrophobicContact CD1-CG 4.12Å |
| 213 | K | 92.9 | Very high | 88.5 | Confident | 137 Ų | 137 | 58.1 Ų | 58.1 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.1 | 163.9 | -67.2 | -179.6 | -179.5 | 174.3 | 0 | 108.8 | F202 A204 G205 | F202-K213 HydrophobicContact CE2-CB 3.99Å; F202-K213 HydrophobicContact CZ-CB 4.29Å; A204-K213 CarbonylContact C-O 3.57Å; A204-K213 VanDerWaalsContact CA-O 3.26Å; A204-K213 WeakPolarHBondContact CA-O 3.4Å; G205-K213 PolarHBondContact N-O 2.95Å; G205-K213 PolarHBondContact O-N 2.84Å |
| 214 | H | 91.1 | Very high | 87.8 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 26% | 0.255 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147.9 | 178.7 | -61.3 | -92 | 0 | 0 | 0 | 110 | Y203 I212 S216 E248 K250 | Y203-H214 CarbonylContact O-C 3.54Å; Y203-H214 VanDerWaalsContact O-CA 3.25Å; Y203-H214 WeakPolarHBondContact O-CA 3.22Å; I212-H214 WeakPolarHBondContact CG2-NE2 3.29Å; H214-S216 PolarHBondContact O-N 2.9Å; H214-E248 IonicContact CD2-OE2 3.83Å; H214-E248 IonicContact CE1-OE2 3.8Å; H214-E248 IonicContact NE2-OE1 2.75Å; H214-E248 IonicContact NE2-OE2 2.66Å; H214-E248 PolarHBondContact NE2-OE2 2.79Å; H214-K250 PolarHBondContact CE1-NZ 2.89Å; H214-K250 PolarHBondContact NE2-NZ 2.79Å |
| 215 | N | 90.6 | Very high | 87.3 | Confident | 113 Ų | 113 | 65.4 Ų | 65.4 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 44.9 | 58 | 170.1 | -61.1 | -34.9 | 0 | 0 | 0 | 113.5 | F202 Y203 | F202-N215 VanDerWaalsContact O-CA 3.25Å; F202-N215 WeakPolarHBondContact O-CA 3.04Å; F202-N215 PolarHBondContact O-N 2.94Å; Y203-N215 PolarHBondContact O-N 2.88Å |
| 216 | S | 93.7 | Very high | 86.8 | Confident | 56 Ų | 56 | 69 Ų | 69 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | -178.4 | -176.3 | -167 | 0 | 0 | 0 | 0 | 110.2 | F202 H214 | F202-S216 VanDerWaalsContact CD1-O 3.31Å; F202-S216 WeakPolarHBondContact CD1-O 3.47Å; F202-S216 PolarHBondContact N-O 3.15Å; F202-S216 PolarHBondContact O-N 3.38Å; H214-S216 PolarHBondContact O-N 2.9Å |
| 217 | C | 92.4 | Very high | 86.4 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 37% | 0.365 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.9 | 177.5 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | E199 L200 N201 | E199-C217 HydrophobicContact CB-CB 4.46Å; E199-C217 PolarHBondContact OE2-SG 2.64Å; L200-C217 CarbonylContact O-C 3.45Å; L200-C217 WeakPolarHBondContact O-CA 3.32Å; N201-C217 WeakPolarHBondContact OD1-CB 3.45Å |
| 218 | V | 92.2 | Very high | 86.3 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.7 | 168.7 | 62.9 | 0 | 0 | 0 | 0 | 107.9 | L173 Y188 L200 F202 P220 | L173-V218 HydrophobicContact CD2-CG1 4.26Å; L173-V218 HydrophobicContact CD2-CG2 4Å; Y188-V218 HydrophobicContact CE1-CG1 4.48Å; Y188-V218 HydrophobicContact CE2-CG1 4.12Å; L200-V218 WeakPolarHBondContact CA-O 3.37Å; L200-V218 HydrophobicContact CB-CG1 3.92Å; L200-V218 WeakPolarHBondContact CB-O 3.2Å; L200-V218 HydrophobicContact CD2-CG1 3.86Å; L200-V218 HydrophobicContact CG-CG1 4.31Å; L200-V218 PolarHBondContact N-O 2.99Å; L200-V218 PolarHBondContact O-N 3.41Å; F202-V218 HydrophobicContact CD1-CG1 4.43Å; F202-V218 HydrophobicContact CE1-CB 4.29Å; F202-V218 HydrophobicContact CE1-CG1 4.21Å; V218-P220 VanDerWaalsContact O-CD 3.32Å; V218-P220 WeakPolarHBondContact O-CD 3.45Å |
| 219 | K | 89 | Confident | 86.4 | Confident | 115 Ų | 115 | 69.3 Ų | 69.3 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | trans | -102.7 | 106.7 | 173.3 | -163.1 | 178.6 | 180 | 165.6 | 0 | 109.6 | E199 T221 | E199-K219 HydrophobicContact CG-CB 4.25Å; E199-K219 HydrophobicContact CG-CD 4.37Å; E199-K219 HydrophobicContact CG-CG 4.17Å; K219-T221 WeakPolarHBondContact CG-OG1 3.26Å; K219-T221 PolarHBondContact O-N 3.23Å | ||
| 220 | P | 86.1 | Confident | 86.7 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 15% | 0.149 | 34% | 0.343 | C | S | . | . | trans | -63.4 | 103.9 | 172.8 | -23.1 | 36.3 | 0 | 0 | 0 | 109.3 | L173 Y194 L200 V218 V228 | L173-P220 HydrophobicContact CD1-CB 3.79Å; L173-P220 HydrophobicContact CD1-CG 3.81Å; Y194-P220 HydrophobicContact CE2-CG 4.42Å; L200-P220 HydrophobicContact CB-CG 4.24Å; V218-P220 VanDerWaalsContact O-CD 3.32Å; V218-P220 WeakPolarHBondContact O-CD 3.45Å; P220-V228 HydrophobicContact CB-CG1 4.02Å | ||
| 221 | T | 80 | Confident | 87.1 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | trans | -139.9 | 122.3 | -176.9 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | K219 V228 | K219-T221 WeakPolarHBondContact CG-OG1 3.26Å; K219-T221 PolarHBondContact O-N 3.23Å; T221-V228 WeakPolarHBondContact O-CG2 3.46Å | ||
| 222 | N | 79.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | trans | -67.8 | 138.4 | 168.9 | -66.7 | -31.1 | 0 | 0 | 0 | 109.9 | F147 K227 V228 | F147-N222 HydrophobicContact CD2-CB 4.41Å; F147-N222 VanDerWaalsContact CD2-ND2 3.26Å; F147-N222 WeakPolarHBondContact CD2-ND2 3.39Å; F147-N222 HydrophobicContact CE2-CB 3.68Å; F147-N222 VanDerWaalsContact CE2-ND2 3.33Å; F147-N222 WeakPolarHBondContact CE2-ND2 3.25Å; F147-N222 HydrophobicContact CZ-CB 4.06Å; F147-N222 PolarHBondContact O-ND2 2.94Å; N222-K227 WeakPolarHBondContact OD1-CA 3.44Å; N222-V228 PolarHBondContact OD1-N 3.33Å; N222-V228 PolarHBondContact OD1-O 3.27Å | ||
| 223 | T | 82.4 | Confident | 87.5 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 36% | 0.362 | 34% | 0.335 | S | S | . | . | trans | -131.4 | 175.5 | 173.7 | 72.3 | 0 | 0 | 0 | 0 | 109.8 | V225 R226 | T223-V225 PolarHBondContact O-N 2.74Å; T223-V225 VanDerWaalsContact O-N 3.09Å; T223-V225 VanDerWaalsContact OG1-CG2 3.22Å; T223-V225 WeakPolarHBondContact OG1-CG2 3.2Å; T223-V225 PolarHBondContact OG1-N 2.77Å; T223-R226 PolarHBondContact N-O 3.03Å; T223-R226 PolarHBondContact O-N 3.15Å; T223-R226 PolarHBondContact OG1-N 3.43Å | ||
| 224 | S | 79.9 | Confident | 87.5 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 73% | 0.727 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -61.9 | -13.2 | 174.9 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | I178 | I178-S224 WeakPolarHBondContact CD1-O 3.43Š|
| 225 | V | 84.8 | Confident | 87.6 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -114.5 | -16.5 | -177.2 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | Y177 I178 T223 | Y177-V225 WeakPolarHBondContact CA-O 3.19Å; I178-V225 PolarHBondContact N-O 2.93Å; T223-V225 PolarHBondContact O-N 2.74Å; T223-V225 VanDerWaalsContact O-N 3.09Å; T223-V225 VanDerWaalsContact OG1-CG2 3.22Å; T223-V225 WeakPolarHBondContact OG1-CG2 3.2Å; T223-V225 PolarHBondContact OG1-N 2.77Å |
| 226 | R | 85.3 | Confident | 87.7 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 30% | 0.302 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 147.6 | -179.1 | 76.4 | -173.3 | -177.4 | 179 | -0.8 | 112.9 | I175 R176 Y177 T223 V228 | I175-R226 HydrophobicContact CG2-CB 4.17Å; I175-R226 HydrophobicContact CG2-CG 4.34Å; R176-R226 CarbonylContact O-C 3.6Å; R176-R226 VanDerWaalsContact O-CA 3.23Å; R176-R226 WeakPolarHBondContact O-CA 3.42Å; Y177-R226 HydrophobicContact CD1-CB 4.12Å; Y177-R226 HydrophobicContact CE1-CB 4.28Å; T223-R226 PolarHBondContact N-O 3.03Å; T223-R226 PolarHBondContact O-N 3.15Å; T223-R226 PolarHBondContact OG1-N 3.43Å; R226-V228 HydrophobicContact CG-CG2 4.28Å |
| 227 | K | 83.2 | Confident | 87.7 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.4 | 170.5 | -63.2 | 177.7 | -179.4 | 170.9 | 0 | 108.9 | I175 R176 I178 N222 F229 | I175-K227 CarbonylContact C-O 3.53Å; I175-K227 WeakPolarHBondContact CA-O 3.39Å; R176-K227 PolarHBondContact N-O 3.13Å; R176-K227 PolarHBondContact O-N 3.22Å; I178-K227 HydrophobicContact CD1-CG 4.46Å; I178-K227 HydrophobicContact CG1-CG 4.4Å; N222-K227 WeakPolarHBondContact OD1-CA 3.44Å; K227-F229 HydrophobicContact CB-CE2 3.75Å; K227-F229 HydrophobicContact CB-CZ 3.76Å; K227-F229 HydrophobicContact CD-CZ 4.34Å |
| 228 | V | 87 | Confident | 87.8 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.6 | -174.8 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | L173 E174 I175 P220 T221 N222 R226 | L173-V228 HydrophobicContact CD1-CG1 3.27Å; L173-V228 HydrophobicContact CD2-CG1 4.14Å; L173-V228 HydrophobicContact CG-CG1 3.66Å; E174-V228 CarbonylContact O-C 3.58Å; E174-V228 WeakPolarHBondContact O-CA 3.31Å; I175-V228 HydrophobicContact CG1-CG1 4.44Å; I175-V228 HydrophobicContact CG1-CG2 4.32Å; I175-V228 HydrophobicContact CG2-CG2 4.44Å; P220-V228 HydrophobicContact CB-CG1 4.02Å; T221-V228 WeakPolarHBondContact O-CG2 3.46Å; N222-V228 PolarHBondContact OD1-N 3.33Å; N222-V228 PolarHBondContact OD1-O 3.27Å; R226-V228 HydrophobicContact CG-CG2 4.28Å |
| 229 | F | 84.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 17% | 0.171 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.8 | 179.5 | -51.7 | -81.1 | 0 | 0 | 0 | 109.2 | K146 L173 E174 R176 K227 | K146-F229 HydrophobicContact CB-CD1 4.02Å; K146-F229 HydrophobicContact CB-CE1 3.75Å; L173-F229 CarbonylContact C-O 3.57Å; L173-F229 WeakPolarHBondContact CA-O 3.4Å; E174-F229 HydrophobicContact CB-CB 4.38Å; E174-F229 PolarHBondContact N-O 2.96Å; E174-F229 PolarHBondContact O-N 2.6Å; R176-F229 HydrophobicContact CG-CD2 4.46Å; R176-F229 HydrophobicContact CG-CE2 4.09Å; K227-F229 HydrophobicContact CB-CE2 3.75Å; K227-F229 HydrophobicContact CB-CZ 3.76Å; K227-F229 HydrophobicContact CD-CZ 4.34Å |
| 230 | I | 88.8 | Confident | 88 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134 | 173.8 | -168.9 | 172.7 | 0 | 0 | 0 | 109.1 | F165 V171 S172 L173 Y194 Y196 L200 | F165-I230 HydrophobicContact CD2-CD1 3.84Å; F165-I230 HydrophobicContact CD2-CG1 4.22Å; F165-I230 HydrophobicContact CE2-CB 4.26Å; F165-I230 HydrophobicContact CE2-CD1 3.65Å; F165-I230 HydrophobicContact CE2-CG1 3.56Å; F165-I230 HydrophobicContact CE2-CG2 3.87Å; F165-I230 HydrophobicContact CZ-CG1 4.19Å; V171-I230 HydrophobicContact CB-CD1 4.41Å; V171-I230 HydrophobicContact CB-CG1 4.19Å; V171-I230 HydrophobicContact CG2-CD1 4.15Å; V171-I230 HydrophobicContact CG2-CG1 4.36Å; S172-I230 WeakPolarHBondContact O-CA 3.4Å; L173-I230 HydrophobicContact CD1-CB 4.21Å; Y194-I230 HydrophobicContact CD1-CD1 4.23Å; Y194-I230 HydrophobicContact CE1-CD1 3.86Å; Y194-I230 HydrophobicContact CE1-CG2 4.36Å; Y196-I230 HydrophobicContact CD1-CG2 4.07Å; Y196-I230 HydrophobicContact CE1-CG2 3.38Å; L200-I230 HydrophobicContact CD1-CD1 4.09Å; L200-I230 HydrophobicContact CD2-CD1 3.9Å |
| 231 | R | 89.4 | Confident | 88.4 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 169 | 178.6 | 57.3 | 169.1 | 174.3 | 75.5 | -0.8 | 110.2 | V171 S172 E174 E237 | V171-R231 CarbonylContact C-O 3.47Å; V171-R231 WeakPolarHBondContact CA-O 3.48Å; V171-R231 WeakPolarHBondContact CB-O 3.28Å; S172-R231 PolarHBondContact N-O 3.27Å; S172-R231 PolarHBondContact O-N 3.5Å; E174-R231 IonicContact OE2-NE 3.92Å; E174-R231 IonicContact OE2-NH2 2.6Å; R231-E237 IonicContact CZ-OE1 2.81Å; R231-E237 IonicContact CZ-OE2 2.64Å; R231-E237 IonicContact NH1-OE1 2.79Å; R231-E237 PolarHBondContact NH1-OE1 3.12Å; R231-E237 IonicContact NH1-OE2 2.74Å; R231-E237 PolarHBondContact NH1-OE2 3.35Å; R231-E237 IonicContact NH2-OE1 2.76Å; R231-E237 PolarHBondContact NH2-OE1 3.18Å; R231-E237 IonicContact NH2-OE2 2.94Å |
| 232 | Y | 91.7 | Very high | 89 | Confident | 137 Ų | 137 | 63.4 Ų | 63.4 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 141.1 | 165.5 | -72.1 | -76.5 | 0 | 0 | 0 | 110.7 | F165 D169 | F165-Y232 HydrophobicContact CD1-CD1 4.24Å; F165-Y232 AromaticContact CD1-CE1 3.81Å; F165-Y232 HydrophobicContact CD1-CE1 3.81Å; F165-Y232 HydrophobicContact CD1-CE2 4.1Å; F165-Y232 AromaticContact CD1-CZ 3.73Å; F165-Y232 HydrophobicContact CE1-CD1 4.25Å; F165-Y232 AromaticContact CE1-CD2 3.91Å; F165-Y232 HydrophobicContact CE1-CD2 3.91Å; F165-Y232 HydrophobicContact CE1-CE1 4.14Å; F165-Y232 AromaticContact CE1-CE2 3.77Å; F165-Y232 HydrophobicContact CE1-CE2 3.77Å; F165-Y232 HydrophobicContact CE1-CG 4.15Å; F165-Y232 AromaticContact CE1-CZ 3.9Å; D169-Y232 HydrophobicContact CB-CE1 4.26Å |
| 233 | A | 93 | Very high | 89.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 139.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | M170 S172 T187 E237 K238 | M170-A233 HydrophobicContact CB-CB 4.19Å; M170-A233 WeakPolarHBondContact O-CB 3.19Å; M170-A233 PolarHBondContact O-N 3.05Å; S172-A233 WeakPolarHBondContact OG-CA 3.35Å; S172-A233 WeakPolarHBondContact OG-CB 3.32Å; T187-A233 HydrophobicContact CG2-CB 3.78Å; A233-E237 HydrophobicContact CB-CB 4.2Å; A233-K238 HydrophobicContact CB-CG 3.86Å; A233-K238 WeakPolarHBondContact O-CE 3.48Å |
| 234 | T | 93 | Very high | 90.1 | Very high | 65 Ų | 65 | 62 Ų | 62 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 162.4 | 167.2 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | S236 E237 K238 | T234-S236 VanDerWaalsContact C-N 3.25Å; T234-S236 PolarHBondContact O-N 2.95Å; T234-E237 WeakPolarHBondContact CB-OE2 3.36Å; T234-E237 WeakPolarHBondContact CG2-OE2 3.38Å; T234-E237 PolarHBondContact N-OE2 3.15Å; T234-E237 WeakPolarHBondContact O-CB 3.25Å; T234-E237 PolarHBondContact O-N 3.06Å; T234-E237 VanDerWaalsContact O-N 3.14Å; T234-E237 VanDerWaalsContact OG1-CG 3.31Å; T234-E237 WeakPolarHBondContact OG1-CG 3.4Å; T234-E237 PolarHBondContact OG1-N 2.77Å; T234-E237 PolarHBondContact OG1-OE2 3.43Å; T234-K238 WeakPolarHBondContact O-CG 3.48Å; T234-K238 PolarHBondContact O-N 3.33Å |
| 235 | D | 93.2 | Very high | 90.7 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64 | -32 | -179.3 | -62.8 | -27.6 | 0 | 0 | 0 | 112.6 | K238 Q239 | D235-K238 PolarHBondContact O-N 3.31Å; D235-K238 IonicContact OD1-NZ 3.05Å; D235-K238 PolarHBondContact OD1-NZ 3.39Å; D235-Q239 WeakPolarHBondContact O-CB 3.4Å; D235-Q239 VanDerWaalsContact O-CG 3.29Å; D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 3.16Å |
| 236 | S | 92.2 | Very high | 90.9 | Very high | 93 Ų | 93 | 56 Ų | 56 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 173.5 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | T234 Q239 Q240 | T234-S236 VanDerWaalsContact C-N 3.25Å; T234-S236 PolarHBondContact O-N 2.95Å; S236-Q239 PolarHBondContact O-N 2.95Å; S236-Q240 PolarHBondContact O-N 2.93Å |
| 237 | E | 94.1 | Very high | 91.1 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 178.3 | -75.8 | 158.5 | 168 | 0 | 0 | 111.6 | S172 V185 T187 R231 A233 T234 Q239 Q240 L241 | S172-E237 VanDerWaalsContact OG-CD 3.31Å; S172-E237 PolarHBondContact OG-OE2 3.38Å; S172-E237 VanDerWaalsContact OG-OE2 3.09Å; V185-E237 HydrophobicContact CG1-CG 4.37Å; V185-E237 WeakPolarHBondContact CG1-OE1 3.5Å; T187-E237 HydrophobicContact CG2-CB 4.35Å; T187-E237 WeakPolarHBondContact OG1-CB 3.36Å; R231-E237 IonicContact CZ-OE1 2.81Å; R231-E237 IonicContact CZ-OE2 2.64Å; R231-E237 IonicContact NH1-OE1 2.79Å; R231-E237 PolarHBondContact NH1-OE1 3.12Å; R231-E237 IonicContact NH1-OE2 2.74Å; R231-E237 PolarHBondContact NH1-OE2 3.35Å; R231-E237 IonicContact NH2-OE1 2.76Å; R231-E237 PolarHBondContact NH2-OE1 3.18Å; R231-E237 IonicContact NH2-OE2 2.94Å; A233-E237 HydrophobicContact CB-CB 4.2Å; T234-E237 WeakPolarHBondContact CB-OE2 3.36Å; T234-E237 WeakPolarHBondContact CG2-OE2 3.38Å; T234-E237 PolarHBondContact N-OE2 3.15Å; T234-E237 WeakPolarHBondContact O-CB 3.25Å; T234-E237 PolarHBondContact O-N 3.06Å; T234-E237 VanDerWaalsContact O-N 3.14Å; T234-E237 VanDerWaalsContact OG1-CG 3.31Å; T234-E237 WeakPolarHBondContact OG1-CG 3.4Å; T234-E237 PolarHBondContact OG1-N 2.77Å; T234-E237 PolarHBondContact OG1-OE2 3.43Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.13Å; E237-Q240 WeakPolarHBondContact O-CB 3.4Å; E237-Q240 PolarHBondContact O-N 3.04Å; E237-L241 PolarHBondContact O-N 3.25Å; E237-L241 VanDerWaalsContact O-N 3.17Å |
| 238 | K | 94.8 | Very high | 91.3 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 172.3 | -65.5 | 174.2 | -163.7 | 155.4 | 0 | 111.1 | M170 A233 T234 D235 Q240 L241 F242 | M170-K238 HydrophobicContact CB-CG 4.2Å; M170-K238 HydrophobicContact SD-CB 4.4Å; M170-K238 HydrophobicContact SD-CD 4.13Å; M170-K238 HydrophobicContact SD-CG 3.92Å; A233-K238 HydrophobicContact CB-CG 3.86Å; A233-K238 WeakPolarHBondContact O-CE 3.48Å; T234-K238 WeakPolarHBondContact O-CG 3.48Å; T234-K238 PolarHBondContact O-N 3.33Å; D235-K238 PolarHBondContact O-N 3.31Å; D235-K238 IonicContact OD1-NZ 3.05Å; D235-K238 PolarHBondContact OD1-NZ 3.39Å; K238-Q240 VanDerWaalsContact C-N 3.3Å; K238-Q240 PolarHBondContact O-N 3.42Å; K238-L241 WeakPolarHBondContact O-CB 3.33Å; K238-L241 PolarHBondContact O-N 2.96Å; K238-F242 HydrophobicContact CB-CE2 4.13Å; K238-F242 WeakPolarHBondContact O-CD2 3.4Å; K238-F242 WeakPolarHBondContact O-CG 3.43Å; K238-F242 PolarHBondContact O-N 3.13Å |
| 239 | Q | 92.8 | Very high | 91.2 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.3 | -32.4 | -179.1 | -72.3 | -60.2 | 4.3 | 0 | 0 | 113.4 | D235 S236 E237 S243 | D235-Q239 WeakPolarHBondContact O-CB 3.4Å; D235-Q239 VanDerWaalsContact O-CG 3.29Å; D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 3.16Å; S236-Q239 PolarHBondContact O-N 2.95Å; E237-Q239 VanDerWaalsContact C-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.13Å; Q239-S243 VanDerWaalsContact O-CB 3.25Å; Q239-S243 WeakPolarHBondContact O-CB 3.35Å; Q239-S243 PolarHBondContact O-N 3.33Å; Q239-S243 PolarHBondContact O-OG 3.17Å |
| 240 | Q | 92.8 | Very high | 91.5 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 172 | -178 | 174.5 | 9.8 | 0 | 0 | 111.5 | N207 N208 S236 E237 K238 S243 A244 | N207-Q240 PolarHBondContact O-NE2 2.93Å; N208-Q240 PolarHBondContact O-NE2 2.79Å; S236-Q240 PolarHBondContact O-N 2.93Å; E237-Q240 WeakPolarHBondContact O-CB 3.4Å; E237-Q240 PolarHBondContact O-N 3.04Å; K238-Q240 VanDerWaalsContact C-N 3.3Å; K238-Q240 PolarHBondContact O-N 3.42Å; Q240-S243 PolarHBondContact O-N 2.85Å; Q240-A244 WeakPolarHBondContact O-CB 3.35Å; Q240-A244 PolarHBondContact O-N 3.18Å |
| 241 | L | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 176.8 | 173.4 | 60.5 | 0 | 0 | 0 | 111.8 | T187 I189 A204 C206 E237 K238 A244 L245 | T187-L241 HydrophobicContact CG2-CB 4.37Å; T187-L241 HydrophobicContact CG2-CD2 4.08Å; I189-L241 HydrophobicContact CD1-CD2 4.04Å; I189-L241 HydrophobicContact CG1-CD2 3.57Å; A204-L241 HydrophobicContact CB-CD1 4.38Å; C206-L241 HydrophobicContact CB-CB 4.23Å; C206-L241 HydrophobicContact CB-CD1 3.53Å; C206-L241 HydrophobicContact CB-CG 4.47Å; E237-L241 PolarHBondContact O-N 3.25Å; E237-L241 VanDerWaalsContact O-N 3.17Å; K238-L241 WeakPolarHBondContact O-CB 3.33Å; K238-L241 PolarHBondContact O-N 2.96Å; L241-A244 WeakPolarHBondContact O-CB 3.41Å; L241-A244 PolarHBondContact O-N 2.84Å; L241-L245 HydrophobicContact CD1-CD1 4.42Å; L241-L245 HydrophobicContact CD1-CG 4.42Å; L241-L245 HydrophobicContact CG-CD1 4.42Å; L241-L245 WeakPolarHBondContact O-CG 3.32Å; L241-L245 PolarHBondContact O-N 3.28Å |
| 242 | F | 93.2 | Very high | 91.8 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.4 | -61 | -33.7 | 0 | 0 | 0 | 112.8 | M170 K238 A244 L245 A246 W252 | M170-F242 HydrophobicContact CE-CE1 3.53Å; M170-F242 HydrophobicContact CE-CZ 3.43Å; M170-F242 VanDerWaalsContact CE-CZ 3.43Å; M170-F242 HydrophobicContact SD-CE1 3.97Å; M170-F242 HydrophobicContact SD-CE2 4.48Å; M170-F242 HydrophobicContact SD-CZ 3.53Å; M170-F242 VanDerWaalsContact SD-CZ 3.53Å; K238-F242 HydrophobicContact CB-CE2 4.13Å; K238-F242 WeakPolarHBondContact O-CD2 3.4Å; K238-F242 WeakPolarHBondContact O-CG 3.43Å; K238-F242 PolarHBondContact O-N 3.13Å; F242-A244 VanDerWaalsContact C-N 3.27Å; F242-A244 PolarHBondContact O-N 3.1Å; F242-L245 HydrophobicContact CD1-CD1 4.47Å; F242-L245 PolarHBondContact O-N 3.1Å; F242-A246 WeakPolarHBondContact O-CB 2.98Å; F242-A246 PolarHBondContact O-N 2.83Å; F242-W252 HydrophobicContact CE1-CB 4.12Å |
| 243 | S | 91.8 | Very high | 91.8 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 175.5 | -63 | 0 | 0 | 0 | 0 | 111.5 | Q239 Q240 K247 | Q239-S243 VanDerWaalsContact O-CB 3.25Å; Q239-S243 WeakPolarHBondContact O-CB 3.35Å; Q239-S243 PolarHBondContact O-N 3.33Å; Q239-S243 PolarHBondContact O-OG 3.17Å; Q240-S243 PolarHBondContact O-N 2.85Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.38Å |
| 244 | A | 92.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I212 Q240 L241 F242 A246 K247 E248 | I212-A244 HydrophobicContact CD1-CB 3.42Å; I212-A244 VanDerWaalsContact CD1-CB 3.42Å; I212-A244 WeakPolarHBondContact CD1-O 3.43Å; I212-A244 HydrophobicContact CG1-CB 3.54Å; Q240-A244 WeakPolarHBondContact O-CB 3.35Å; Q240-A244 PolarHBondContact O-N 3.18Å; L241-A244 WeakPolarHBondContact O-CB 3.41Å; L241-A244 PolarHBondContact O-N 2.84Å; F242-A244 VanDerWaalsContact C-N 3.27Å; F242-A244 PolarHBondContact O-N 3.1Å; A244-A246 VanDerWaalsContact C-N 3.28Å; A244-A246 PolarHBondContact O-N 2.88Å; A244-K247 WeakPolarHBondContact O-CB 3.37Å; A244-K247 PolarHBondContact O-N 3.18Å; A244-E248 PolarHBondContact O-N 3.04Å |
| 245 | L | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 178.4 | -73.2 | 172.7 | 0 | 0 | 0 | 111.8 | I189 A204 I212 L241 F242 K247 E248 N249 K250 W252 V259 | I189-L245 HydrophobicContact CD1-CD1 4.49Å; A204-L245 HydrophobicContact CB-CD2 4.09Å; I212-L245 HydrophobicContact CD1-CD2 4.18Å; I212-L245 HydrophobicContact CD1-CG 4.43Å; I212-L245 HydrophobicContact CG2-CD2 4.3Å; L241-L245 HydrophobicContact CD1-CD1 4.42Å; L241-L245 HydrophobicContact CD1-CG 4.42Å; L241-L245 HydrophobicContact CG-CD1 4.42Å; L241-L245 WeakPolarHBondContact O-CG 3.32Å; L241-L245 PolarHBondContact O-N 3.28Å; F242-L245 HydrophobicContact CD1-CD1 4.47Å; F242-L245 PolarHBondContact O-N 3.1Å; L245-K247 VanDerWaalsContact C-N 3.29Å; L245-K247 PolarHBondContact O-N 3Å; L245-E248 CarbonylContact O-C 3.55Å; L245-E248 WeakPolarHBondContact O-CA 3.36Å; L245-E248 PolarHBondContact O-N 3.46Å; L245-N249 PolarHBondContact O-N 2.88Å; L245-K250 CarbonylContact C-O 3.5Å; L245-K250 HydrophobicContact CB-CB 4.47Å; L245-K250 HydrophobicContact CD2-CB 4.41Å; L245-K250 PolarHBondContact O-N 3.06Å; L245-K250 VanDerWaalsContact O-O 3.07Å; L245-W252 HydrophobicContact CD1-CB 4.39Å; L245-V259 HydrophobicContact CD2-CG1 3.83Å |
| 246 | A | 89.1 | Confident | 91.2 | Very high | 52 Ų | 52 | 67.6 Ų | 67.6 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -33.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F242 A244 E248 N249 K250 L262 | F242-A246 WeakPolarHBondContact O-CB 2.98Å; F242-A246 PolarHBondContact O-N 2.83Å; A244-A246 VanDerWaalsContact C-N 3.28Å; A244-A246 PolarHBondContact O-N 2.88Å; A246-E248 PolarHBondContact O-N 3.08Å; A246-N249 WeakPolarHBondContact O-CA 3.38Å; A246-N249 PolarHBondContact O-N 2.91Å; A246-K250 WeakPolarHBondContact CA-O 3.24Å; A246-K250 PolarHBondContact N-O 2.95Å; A246-L262 HydrophobicContact CB-CD1 4.27Å |
| 247 | K | 88.7 | Confident | 91.1 | Very high | 177 Ų | 177 | 66.8 Ų | 66.8 | 77% | 0.77 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.2 | -28.4 | 172.7 | -70.4 | 171.5 | -177.1 | 177.7 | 0 | 112.5 | S243 A244 L245 N249 | S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.38Å; A244-K247 WeakPolarHBondContact O-CB 3.37Å; A244-K247 PolarHBondContact O-N 3.18Å; L245-K247 VanDerWaalsContact C-N 3.29Å; L245-K247 PolarHBondContact O-N 3Å; K247-N249 VanDerWaalsContact C-N 3.28Å |
| 248 | E | 86.9 | Confident | 90.9 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 8.7 | 171.1 | -67.4 | -167.9 | -176.9 | 0 | 0 | 113.3 | I212 H214 A244 L245 A246 K250 | I212-E248 HydrophobicContact CD1-CG 4.12Å; H214-E248 IonicContact CD2-OE2 3.83Å; H214-E248 IonicContact CE1-OE2 3.8Å; H214-E248 IonicContact NE2-OE1 2.75Å; H214-E248 IonicContact NE2-OE2 2.66Å; H214-E248 PolarHBondContact NE2-OE2 2.79Å; A244-E248 PolarHBondContact O-N 3.04Å; L245-E248 CarbonylContact O-C 3.55Å; L245-E248 WeakPolarHBondContact O-CA 3.36Å; L245-E248 PolarHBondContact O-N 3.46Å; A246-E248 PolarHBondContact O-N 3.08Å; E248-K250 HydrophobicContact CB-CD 4.16Å; E248-K250 HydrophobicContact CB-CG 4.38Å; E248-K250 PolarHBondContact O-N 2.93Å; E248-K250 IonicContact OE2-NZ 2.68Å; E248-K250 PolarHBondContact OE2-NZ 2.81Å |
| 249 | N | 85.1 | Confident | 90.6 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 37.2 | -173 | -169.4 | 64.8 | 0 | 0 | 0 | 112.5 | L245 A246 K247 N261 L262 | L245-N249 PolarHBondContact O-N 2.88Å; A246-N249 WeakPolarHBondContact O-CA 3.38Å; A246-N249 PolarHBondContact O-N 2.91Å; K247-N249 VanDerWaalsContact C-N 3.28Å; N249-N261 CarbonylContact O-C 3.54Å; N249-N261 WeakPolarHBondContact O-CA 3.43Å; N249-L262 PolarHBondContact O-N 3.21Å |
| 250 | K | 90.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 21% | 0.213 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 160.7 | 177.2 | -67.6 | 171.4 | -175.3 | 166.2 | 0 | 111.4 | H214 L245 A246 E248 V259 V260 L262 | H214-K250 PolarHBondContact CE1-NZ 2.89Å; H214-K250 PolarHBondContact NE2-NZ 2.79Å; L245-K250 CarbonylContact C-O 3.5Å; L245-K250 HydrophobicContact CB-CB 4.47Å; L245-K250 HydrophobicContact CD2-CB 4.41Å; L245-K250 PolarHBondContact O-N 3.06Å; L245-K250 VanDerWaalsContact O-O 3.07Å; A246-K250 WeakPolarHBondContact CA-O 3.24Å; A246-K250 PolarHBondContact N-O 2.95Å; E248-K250 HydrophobicContact CB-CD 4.16Å; E248-K250 HydrophobicContact CB-CG 4.38Å; E248-K250 PolarHBondContact O-N 2.93Å; E248-K250 IonicContact OE2-NZ 2.68Å; E248-K250 PolarHBondContact OE2-NZ 2.81Å; K250-V259 HydrophobicContact CB-CG1 3.81Å; K250-V259 HydrophobicContact CD-CG1 3.9Å; K250-V259 HydrophobicContact CG-CG1 4.26Å; K250-V260 CarbonylContact C-O 3.49Å; K250-V260 WeakPolarHBondContact CA-O 3.29Å; K250-L262 WeakPolarHBondContact O-CD1 3.29Å |
| 251 | A | 91.8 | Very high | 89.8 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 22% | 0.223 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V259 V260 L262 | A251-V259 CarbonylContact O-C 3.08Å; A251-V259 WeakPolarHBondContact O-CA 3.26Å; A251-V260 PolarHBondContact N-O 3.48Å; A251-V260 PolarHBondContact O-N 2.91Å; A251-L262 HydrophobicContact CB-CD1 4.41Å; A251-L262 HydrophobicContact CB-CD2 3.53Å; A251-L262 HydrophobicContact CB-CG 3.77Å |
| 252 | W | 93.9 | Very high | 88.8 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.4 | 171.2 | 175.5 | -114.1 | 0 | 0 | 0 | 110 | M170 I189 Y203 F242 L245 K257 D258 V259 | M170-W252 HydrophobicContact CE-CG 4.12Å; I189-W252 HydrophobicContact CD1-CB 3.8Å; I189-W252 HydrophobicContact CD1-CD2 3.52Å; I189-W252 HydrophobicContact CD1-CE3 3.69Å; I189-W252 HydrophobicContact CD1-CG 3.58Å; I189-W252 HydrophobicContact CD1-CZ3 4.45Å; I189-W252 HydrophobicContact CG2-CD2 3.92Å; I189-W252 HydrophobicContact CG2-CE3 4.08Å; I189-W252 HydrophobicContact CG2-CH2 3.63Å; I189-W252 HydrophobicContact CG2-CZ2 3.44Å; I189-W252 VanDerWaalsContact CG2-CZ2 3.44Å; I189-W252 HydrophobicContact CG2-CZ3 3.95Å; Y203-W252 HydrophobicContact CD1-CH2 4.42Å; Y203-W252 HydrophobicContact CD1-CZ3 4.12Å; Y203-W252 AromaticContact CD2-CH2 3.34Å; Y203-W252 HydrophobicContact CD2-CH2 3.34Å; Y203-W252 HydrophobicContact CD2-CZ2 4.42Å; Y203-W252 AromaticContact CD2-CZ3 3.63Å; Y203-W252 HydrophobicContact CD2-CZ3 3.63Å; Y203-W252 AromaticContact CE2-CH2 3.6Å; Y203-W252 HydrophobicContact CE2-CH2 3.6Å; Y203-W252 HydrophobicContact CE2-CZ3 4.23Å; Y203-W252 AromaticContact CG-CH2 3.79Å; Y203-W252 HydrophobicContact CG-CH2 3.79Å; Y203-W252 AromaticContact CG-CZ3 3.55Å; Y203-W252 HydrophobicContact CG-CZ3 3.55Å; F242-W252 HydrophobicContact CE1-CB 4.12Å; L245-W252 HydrophobicContact CD1-CB 4.39Å; W252-K257 HydrophobicContact CH2-CB 3.93Å; W252-K257 HydrophobicContact CZ2-CB 4.23Å; W252-K257 VanDerWaalsContact CZ3-C 3.43Å; W252-D258 VanDerWaalsContact CE3-C 3.49Å; W252-D258 VanDerWaalsContact CE3-O 3.29Å; W252-D258 VanDerWaalsContact CZ3-N 3.31Å; W252-V259 HydrophobicContact CE3-CG2 3.79Å; W252-V259 HydrophobicContact CZ3-CG2 4.23Å |
| 253 | D | 91.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 73.8 Ų | 73.8 | 17% | 0.171 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 100.2 | 172 | -175.7 | -29.4 | 0 | 0 | 0 | 107.9 | E255 K256 K257 D258 V260 | D253-E255 PolarHBondContact O-N 3.45Å; D253-E255 PolarHBondContact OD1-N 2.81Å; D253-E255 VanDerWaalsContact OD1-N 3.16Å; D253-K256 HydrophobicContact CB-CB 4.23Å; D253-K256 PolarHBondContact O-N 2.93Å; D253-K256 PolarHBondContact OD1-N 3.19Å; D253-K256 VanDerWaalsContact OD2-CD 3.26Å; D253-K256 WeakPolarHBondContact OD2-CD 3.48Å; D253-K256 WeakPolarHBondContact OD2-CE 3.37Å; D253-K256 WeakPolarHBondContact OD2-CG 3.3Å; D253-K256 IonicContact OD2-NZ 4Å; D253-K256 PolarHBondContact OD2-NZ 2.88Å; D253-K257 VanDerWaalsContact O-CA 3.32Å; D253-K257 WeakPolarHBondContact O-CA 3.08Å; D253-K257 PolarHBondContact O-N 3.37Å; D253-D258 PolarHBondContact N-O 3.29Å; D253-D258 PolarHBondContact O-N 3.38Å; D253-V260 HydrophobicContact CB-CG1 3.85Å; D253-V260 HydrophobicContact CB-CG2 3.95Å |
| 254 | S | 90 | Very high | 85.6 | Confident | 86 Ų | 86 | 76 Ų | 76 | 60% | 0.601 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -23.3 | -176.3 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 255 | E | 88.1 | Confident | 83.9 | Confident | 181 Ų | 181 | 84.2 Ų | 84.2 | 85% | 0.846 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -42.8 | 177.8 | -64.5 | -174.6 | 171 | 0 | 0 | 110.7 | D253 K257 | D253-E255 PolarHBondContact O-N 3.45Å; D253-E255 PolarHBondContact OD1-N 2.81Å; D253-E255 VanDerWaalsContact OD1-N 3.16Å; E255-K257 VanDerWaalsContact C-N 3.33Å |
| 256 | K | 88.5 | Confident | 82.4 | Confident | 146 Ų | 146 | 87.7 Ų | 87.7 | 64% | 0.635 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14.6 | 175.5 | -65 | -175.8 | -163.9 | 123.6 | 0 | 113.8 | D253 D258 | D253-K256 HydrophobicContact CB-CB 4.23Å; D253-K256 PolarHBondContact O-N 2.93Å; D253-K256 PolarHBondContact OD1-N 3.19Å; D253-K256 VanDerWaalsContact OD2-CD 3.26Å; D253-K256 WeakPolarHBondContact OD2-CD 3.48Å; D253-K256 WeakPolarHBondContact OD2-CE 3.37Å; D253-K256 WeakPolarHBondContact OD2-CG 3.3Å; D253-K256 IonicContact OD2-NZ 4Å; D253-K256 PolarHBondContact OD2-NZ 2.88Å; K256-D258 VanDerWaalsContact C-N 3.31Å; K256-D258 HydrophobicContact CB-CB 4.34Å |
| 257 | K | 90.5 | Very high | 81.7 | Confident | 77 Ų | 77 | 93 Ų | 93 | 34% | 0.335 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 51.1 | -168.4 | -56.5 | -165.9 | -176.3 | -167.3 | 0 | 111.8 | D167 Y203 W252 D253 E255 | D167-K257 PolarHBondContact O-NZ 3.22Å; D167-K257 WeakPolarHBondContact OD2-CD 3.48Å; D167-K257 WeakPolarHBondContact OD2-CE 2.7Å; D167-K257 IonicContact OD2-NZ 3.12Å; D167-K257 PolarHBondContact OD2-NZ 2.66Å; Y203-K257 WeakPolarHBondContact CE1-O 3.38Å; Y203-K257 PolarHBondContact OH-O 2.84Å; W252-K257 HydrophobicContact CH2-CB 3.93Å; W252-K257 HydrophobicContact CZ2-CB 4.23Å; W252-K257 VanDerWaalsContact CZ3-C 3.43Å; D253-K257 VanDerWaalsContact O-CA 3.32Å; D253-K257 WeakPolarHBondContact O-CA 3.08Å; D253-K257 PolarHBondContact O-N 3.37Å; E255-K257 VanDerWaalsContact C-N 3.33Å |
| 258 | D | 89.7 | Confident | 81.6 | Confident | 77 Ų | 77 | 86.1 Ų | 86.1 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.9 | -178.6 | -163.2 | 9.8 | 0 | 0 | 0 | 111.9 | W252 D253 K256 V260 | W252-D258 VanDerWaalsContact CE3-C 3.49Å; W252-D258 VanDerWaalsContact CE3-O 3.29Å; W252-D258 VanDerWaalsContact CZ3-N 3.31Å; D253-D258 PolarHBondContact N-O 3.29Å; D253-D258 PolarHBondContact O-N 3.38Å; K256-D258 VanDerWaalsContact C-N 3.31Å; K256-D258 HydrophobicContact CB-CB 4.34Å; D258-V260 HydrophobicContact CB-CG1 4.48Å; D258-V260 PolarHBondContact O-N 3.14Å |
| 259 | V | 88.6 | Confident | 81.8 | Confident | 22 Ų | 22 | 89 Ų | 89 | 13% | 0.133 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 100 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | A204 L245 K250 A251 W252 | A204-V259 HydrophobicContact CB-CG2 4.06Å; L245-V259 HydrophobicContact CD2-CG1 3.83Å; K250-V259 HydrophobicContact CB-CG1 3.81Å; K250-V259 HydrophobicContact CD-CG1 3.9Å; K250-V259 HydrophobicContact CG-CG1 4.26Å; A251-V259 CarbonylContact O-C 3.08Å; A251-V259 WeakPolarHBondContact O-CA 3.26Å; W252-V259 HydrophobicContact CE3-CG2 3.79Å; W252-V259 HydrophobicContact CZ3-CG2 4.23Å |
| 260 | V | 87.3 | Confident | 82.2 | Confident | 42 Ų | 42 | 89.9 Ų | 89.9 | 26% | 0.255 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 156.6 | -175.9 | -59 | 0 | 0 | 0 | 0 | 111.8 | K250 A251 D253 D258 | K250-V260 CarbonylContact C-O 3.49Å; K250-V260 WeakPolarHBondContact CA-O 3.29Å; A251-V260 PolarHBondContact N-O 3.48Å; A251-V260 PolarHBondContact O-N 2.91Å; D253-V260 HydrophobicContact CB-CG1 3.85Å; D253-V260 HydrophobicContact CB-CG2 3.95Å; D258-V260 HydrophobicContact CB-CG1 4.48Å; D258-V260 PolarHBondContact O-N 3.14Å |
| 261 | N | 80.5 | Confident | 82.3 | Confident | 97 Ų | 97 | 94.8 Ų | 94.8 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 133.1 | 172.7 | -64 | -59.7 | 0 | 0 | 0 | 110.4 | N249 K263 | N249-N261 CarbonylContact O-C 3.54Å; N249-N261 WeakPolarHBondContact O-CA 3.43Å; N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 3.45Å |
| 262 | L | 73.7 | Confident | 82.5 | Confident | 97 Ų | 97 | 96.3 Ų | 96.3 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -68.5 | -27.7 | -179.6 | -83.4 | 170.9 | 0 | 0 | 0 | 113.5 | A246 N249 K250 A251 | A246-L262 HydrophobicContact CB-CD1 4.27Å; N249-L262 PolarHBondContact O-N 3.21Å; K250-L262 WeakPolarHBondContact O-CD1 3.29Å; A251-L262 HydrophobicContact CB-CD1 4.41Å; A251-L262 HydrophobicContact CB-CD2 3.53Å; A251-L262 HydrophobicContact CB-CG 3.77Å |
| 263 | K | 64.2 | Low | 82.6 | Confident | 139 Ų | 139 | 102 Ų | 102 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -125.1 | 142.2 | 175.7 | -64.6 | -175.8 | 179.4 | -175 | 0 | 109.4 | N261 K265 | N261-K263 VanDerWaalsContact C-N 3.3Å; N261-K263 PolarHBondContact O-N 3.45Å; K263-K265 PolarHBondContact O-N 2.78Å |
| 264 | P | 53.8 | Low | 82.8 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 73% | 0.727 | 50% | 0.501 | S | S | * | . | trans | -50.7 | 127.6 | 168.4 | -20.9 | 30.6 | 0 | 0 | 0 | 108.3 | V266 | P264-V266 PolarHBondContact O-N 2.6Š| ||
| 265 | K | 56.1 | Low | 83 | Confident | 176 Ų | 176 | 96.3 Ų | 96.3 | 77% | 0.765 | 47% | 0.472 | S | S | * | . | trans | -68 | 87.6 | 169.5 | -159.9 | -177.4 | -172.1 | -173.1 | 0 | 105.8 | K263 E267 | K263-K265 PolarHBondContact O-N 2.78Å; K265-E267 PolarHBondContact O-N 3.12Å | ||
| 266 | V | 61.9 | Low | 83.3 | Confident | 74 Ų | 74 | 87.7 Ų | 87.7 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | trans | -66.7 | 107.2 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 106.9 | P264 L268 P310 | P264-V266 PolarHBondContact O-N 2.6Å; V266-L268 HydrophobicContact CG1-CD2 3.59Å; V266-L268 HydrophobicContact CG1-CG 3.68Å; V266-L268 PolarHBondContact O-N 3.36Å; V266-L268 VanDerWaalsContact O-N 3.07Å; V266-P310 HydrophobicContact CB-CG 4.24Å; V266-P310 HydrophobicContact CG1-CG 3.25Å; V266-P310 HydrophobicContact CG2-CG 3.97Å | ||
| 267 | E | 74 | Confident | 83.6 | Confident | 165 Ų | 165 | 80.9 Ų | 80.9 | 77% | 0.771 | 40% | 0.402 | S | S | * | . | trans | -76.2 | 89.4 | 170.1 | -71.1 | -170.4 | 166.8 | 0 | 0 | 109.2 | K265 | K265-E267 PolarHBondContact O-N 3.12Š| ||
| 268 | L | 86.8 | Confident | 83.6 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 133.2 | 170.7 | -62.9 | 171.5 | 0 | 0 | 0 | 109.9 | V266 D272 V274 F289 P310 | V266-L268 HydrophobicContact CG1-CD2 3.59Å; V266-L268 HydrophobicContact CG1-CG 3.68Å; V266-L268 PolarHBondContact O-N 3.36Å; V266-L268 VanDerWaalsContact O-N 3.07Å; L268-D272 WeakPolarHBondContact CA-OD2 3.44Å; L268-D272 HydrophobicContact CD2-CB 4.32Å; L268-V274 HydrophobicContact CD1-CG1 3.92Å; L268-V274 HydrophobicContact CD2-CG1 3.67Å; L268-V274 HydrophobicContact CG-CG1 4.41Å; L268-F289 HydrophobicContact CB-CB 4.47Å; L268-F289 HydrophobicContact CB-CD1 3.49Å; L268-F289 VanDerWaalsContact CB-CD1 3.49Å; L268-F289 HydrophobicContact CB-CD2 4.23Å; L268-F289 HydrophobicContact CB-CE1 3.59Å; L268-F289 HydrophobicContact CB-CE2 4.33Å; L268-F289 HydrophobicContact CB-CG 3.8Å; L268-F289 HydrophobicContact CB-CZ 4Å; L268-F289 HydrophobicContact CD1-CD2 3.88Å; L268-F289 HydrophobicContact CD1-CE2 4.17Å; L268-F289 HydrophobicContact CD1-CG 4.09Å; L268-F289 VanDerWaalsContact O-CE1 3.29Å; L268-F289 WeakPolarHBondContact O-CE1 3.39Å; L268-P310 HydrophobicContact CD2-CG 4.23Å |
| 269 | K | 91.2 | Very high | 83.6 | Confident | 142 Ų | 142 | 78.5 Ų | 78.5 | 62% | 0.617 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 151 | 171.4 | -65 | 177.8 | -175.9 | 174.3 | 0 | 110.3 | F271 D272 F289 | K269-F271 PolarHBondContact O-N 3.44Å; K269-D272 PolarHBondContact N-OD2 3.21Å; K269-D272 VanDerWaalsContact O-CB 3.25Å; K269-D272 WeakPolarHBondContact O-CB 3.41Å; K269-D272 VanDerWaalsContact O-CG 3.25Å; K269-D272 PolarHBondContact O-N 2.98Å; K269-F289 WeakPolarHBondContact O-CD1 3.46Å |
| 270 | P | 93.1 | Very high | 83.5 | Confident | 83 Ų | 83 | 83.2 Ų | 83.2 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 134.6 | 173.3 | -23.9 | 30.9 | 0 | 0 | 0 | 111.3 | D272 F289 G290 | P270-D272 VanDerWaalsContact C-N 3.32Å; P270-F289 CarbonylContact C-O 3.51Å; P270-F289 WeakPolarHBondContact CA-O 3.38Å; P270-G290 WeakPolarHBondContact CG-O 3.37Å |
| 271 | F | 93.6 | Very high | 83.5 | Confident | 152 Ų | 152 | 90.2 Ų | 90.2 | 67% | 0.667 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 8.2 | -173.8 | -53.1 | -81.4 | 0 | 0 | 0 | 117 | K269 K273 L288 F289 | K269-F271 PolarHBondContact O-N 3.44Å; F271-K273 PolarHBondContact O-N 3.44Å; F271-L288 HydrophobicContact CD1-CD1 4.28Å; F271-F289 PolarHBondContact N-O 3.11Å |
| 272 | D | 95.2 | Very high | 84.1 | Confident | 58 Ų | 58 | 88.2 Ų | 88.2 | 31% | 0.31 | 43% | 0.432 | S | S | . | . | trans | -61.4 | 138.3 | 167 | -78 | -9.9 | 0 | 0 | 0 | 110.6 | L268 K269 P270 V274 L288 F289 | L268-D272 WeakPolarHBondContact CA-OD2 3.44Å; L268-D272 HydrophobicContact CD2-CB 4.32Å; K269-D272 PolarHBondContact N-OD2 3.21Å; K269-D272 VanDerWaalsContact O-CB 3.25Å; K269-D272 WeakPolarHBondContact O-CB 3.41Å; K269-D272 VanDerWaalsContact O-CG 3.25Å; K269-D272 PolarHBondContact O-N 2.98Å; P270-D272 VanDerWaalsContact C-N 3.32Å; D272-V274 PolarHBondContact O-N 2.89Å; D272-L288 WeakPolarHBondContact O-CA 3.41Å; D272-F289 HydrophobicContact CB-CB 4.5Å; D272-F289 PolarHBondContact O-N 2.65Å | ||
| 273 | K | 96.6 | Very high | 85.1 | Confident | 151 Ų | 151 | 87.6 Ų | 87.6 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.4 | 174.6 | -62.8 | 177.6 | -173.4 | 174.7 | 0 | 108.6 | F271 L288 Y311 | F271-K273 PolarHBondContact O-N 3.44Å; K273-L288 HydrophobicContact CG-CD2 4.14Å; K273-Y311 VanDerWaalsContact C-CB 3.46Å; K273-Y311 HydrophobicContact CB-CG 4.18Å; K273-Y311 WeakPolarHBondContact O-CB 3.49Å; K273-Y311 PolarHBondContact O-N 2.93Å |
| 274 | V | 95.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 158.8 | -177.2 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | L268 D272 V276 A286 N287 F289 I309 | L268-V274 HydrophobicContact CD1-CG1 3.92Å; L268-V274 HydrophobicContact CD2-CG1 3.67Å; L268-V274 HydrophobicContact CG-CG1 4.41Å; D272-V274 PolarHBondContact O-N 2.89Å; V274-V276 HydrophobicContact CG2-CG1 3.94Å; V274-A286 WeakPolarHBondContact O-CA 3.44Å; V274-N287 HydrophobicContact CG2-CB 4.3Å; V274-N287 WeakPolarHBondContact CG2-O 3.49Å; V274-N287 PolarHBondContact N-O 2.82Å; V274-N287 PolarHBondContact O-N 3.41Å; V274-F289 HydrophobicContact CG1-CB 3.85Å; V274-F289 HydrophobicContact CG2-CB 4.1Å; V274-I309 CarbonylContact C-O 3.58Å; V274-I309 WeakPolarHBondContact CA-O 3.24Å; V274-I309 VanDerWaalsContact CB-O 3.24Å; V274-I309 WeakPolarHBondContact CB-O 3.33Å |
| 275 | L | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 134.9 | 162.8 | -64.9 | 177.6 | 0 | 0 | 0 | 109.4 | W284 R285 A286 C308 I309 Y311 N314 L317 L318 | L275-W284 HydrophobicContact CB-CB 4.41Å; L275-W284 HydrophobicContact CB-CD2 4.25Å; L275-W284 HydrophobicContact CB-CE3 3.63Å; L275-W284 HydrophobicContact CB-CZ3 4.22Å; L275-W284 HydrophobicContact CD1-CB 4.48Å; L275-W284 WeakPolarHBondContact O-CZ3 3.48Å; L275-R285 CarbonylContact C-O 3.59Å; L275-R285 WeakPolarHBondContact CA-O 3.24Å; L275-A286 HydrophobicContact CD2-CB 4.49Å; L275-C308 WeakPolarHBondContact O-CA 3.5Å; L275-I309 HydrophobicContact CB-CD1 4.25Å; L275-I309 HydrophobicContact CB-CG1 3.79Å; L275-I309 HydrophobicContact CD1-CD1 4.42Å; L275-I309 PolarHBondContact N-O 3.49Å; L275-I309 PolarHBondContact O-N 3.28Å; L275-Y311 HydrophobicContact CD2-CD2 3.67Å; L275-Y311 HydrophobicContact CD2-CE2 3.98Å; L275-Y311 HydrophobicContact CG-CD2 4.01Å; L275-N314 HydrophobicContact CD1-CB 3.94Å; L275-N314 WeakPolarHBondContact CD1-O 3.19Å; L275-L317 HydrophobicContact CD1-CB 3.95Å; L275-L318 HydrophobicContact CD2-CB 4.1Å; L275-L318 HydrophobicContact CD2-CD1 3.65Å; L275-L318 HydrophobicContact CD2-CG 4.44Å |
| 276 | V | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.6 | -176.4 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | V274 R285 N287 W305 Y307 C308 | V274-V276 HydrophobicContact CG2-CG1 3.94Å; V276-R285 HydrophobicContact CG2-CB 4.38Å; V276-R285 PolarHBondContact N-O 2.98Å; V276-R285 PolarHBondContact O-N 3.47Å; V276-N287 HydrophobicContact CG1-CB 4.32Å; V276-N287 HydrophobicContact CG2-CB 3.71Å; V276-W305 HydrophobicContact CB-CB 3.9Å; V276-W305 HydrophobicContact CB-CD2 3.66Å; V276-W305 HydrophobicContact CB-CE3 4.2Å; V276-W305 HydrophobicContact CB-CG 3.51Å; V276-W305 HydrophobicContact CG1-CB 4.2Å; V276-W305 HydrophobicContact CG1-CG 3.99Å; V276-W305 HydrophobicContact CG2-CD2 3.54Å; V276-W305 HydrophobicContact CG2-CE3 4.14Å; V276-W305 HydrophobicContact CG2-CG 3.79Å; V276-W305 HydrophobicContact CG2-CH2 4.42Å; V276-W305 HydrophobicContact CG2-CZ2 3.88Å; V276-Y307 VanDerWaalsContact CA-O 3.26Å; V276-Y307 WeakPolarHBondContact CA-O 3.46Å; V276-C308 HydrophobicContact CG1-CB 4.13Å |
| 277 | R | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 160.9 | 172.2 | 64.6 | -178.3 | -175.6 | 179.1 | -4.8 | 110.7 | S279 K280 D282 W284 Y307 D323 | R277-S279 VanDerWaalsContact CD-O 3.24Å; R277-S279 WeakPolarHBondContact CD-O 3.41Å; R277-K280 PolarHBondContact NH1-O 3.49Å; R277-D282 HydrophobicContact CB-CB 4.04Å; R277-W284 HydrophobicContact CB-CE3 4.34Å; R277-W284 HydrophobicContact CG-CD2 4.22Å; R277-W284 HydrophobicContact CG-CE3 3.91Å; R277-W284 HydrophobicContact CG-CH2 4.18Å; R277-W284 HydrophobicContact CG-CZ2 4.44Å; R277-W284 HydrophobicContact CG-CZ3 3.9Å; R277-W284 VanDerWaalsContact NE-CZ2 3.29Å; R277-Y307 HydrophobicContact CG-CD2 4.04Å; R277-Y307 HydrophobicContact CG-CG 4.26Å; R277-Y307 PolarHBondContact N-O 3.24Å; R277-Y307 PolarHBondContact O-N 2.86Å; R277-D323 IonicContact CZ-OD1 2.76Å; R277-D323 IonicContact NH2-OD1 2.64Å; R277-D323 PolarHBondContact NH2-OD1 2.88Å; R277-D323 IonicContact NH2-OD2 3.53Å |
| 278 | D | 90.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 69.5 Ų | 69.5 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -96.5 | -32.5 | -179.3 | -76 | -34.8 | 0 | 0 | 0 | 112.9 | W305 I306 | D278-W305 HydrophobicContact CB-CE3 4.49Å; D278-W305 WeakPolarHBondContact OD1-CA 3.25Å; D278-I306 WeakPolarHBondContact O-CB 3.29Å; D278-I306 WeakPolarHBondContact O-CD1 3.4Å; D278-I306 PolarHBondContact OD1-N 2.84Å |
| 279 | S | 89.3 | Confident | 93.7 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -130.6 | 165.9 | 175.6 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | R277 F281 D282 | R277-S279 VanDerWaalsContact CD-O 3.24Å; R277-S279 WeakPolarHBondContact CD-O 3.41Å; S279-F281 PolarHBondContact O-N 3.3Å; S279-F281 PolarHBondContact OG-N 2.99Å; S279-D282 WeakPolarHBondContact CB-OD2 3.47Å; S279-D282 PolarHBondContact N-OD2 3.16Å; S279-D282 PolarHBondContact O-N 2.64Å; S279-D282 PolarHBondContact OG-N 3.45Å; S279-D282 PolarHBondContact OG-OD2 2.83Å |
| 280 | K | 86.2 | Confident | 93.8 | Very high | 121 Ų | 121 | 62.8 Ų | 62.8 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.5 | 173.7 | -65.3 | -170.5 | 177.4 | -167.4 | 0 | 113.5 | R277 | R277-K280 PolarHBondContact NH1-O 3.49Š|
| 281 | F | 88.6 | Confident | 93.8 | Very high | 189 Ų | 189 | 65.9 Ų | 65.9 | 83% | 0.829 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -13.5 | -179.5 | -55.8 | -70.2 | 0 | 0 | 0 | 112.8 | S279 | S279-F281 PolarHBondContact O-N 3.3Å; S279-F281 PolarHBondContact OG-N 2.99Å |
| 282 | D | 92.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -78 | 149.7 | 178 | -68.6 | -48.1 | 0 | 0 | 0 | 111.6 | R277 S279 | R277-D282 HydrophobicContact CB-CB 4.04Å; S279-D282 WeakPolarHBondContact CB-OD2 3.47Å; S279-D282 PolarHBondContact N-OD2 3.16Å; S279-D282 PolarHBondContact O-N 2.64Å; S279-D282 PolarHBondContact OG-N 3.45Å; S279-D282 PolarHBondContact OG-OD2 2.83Å |
| 283 | I | 95.2 | Very high | 93.1 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -69 | 141.6 | 170.7 | 61.3 | 174.9 | 0 | 0 | 0 | 111 | T320 | I283-T320 CarbonylContact C-O 3.55Å; I283-T320 VanDerWaalsContact CA-O 3.3Å; I283-T320 WeakPolarHBondContact CA-O 3.41Å |
| 284 | W | 96 | Very high | 92.4 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -65.8 | 133.5 | 171.1 | -69.6 | 102.3 | 0 | 0 | 0 | 111.4 | L275 R277 I309 L317 G319 T320 K322 V324 | L275-W284 HydrophobicContact CB-CB 4.41Å; L275-W284 HydrophobicContact CB-CD2 4.25Å; L275-W284 HydrophobicContact CB-CE3 3.63Å; L275-W284 HydrophobicContact CB-CZ3 4.22Å; L275-W284 HydrophobicContact CD1-CB 4.48Å; L275-W284 WeakPolarHBondContact O-CZ3 3.48Å; R277-W284 HydrophobicContact CB-CE3 4.34Å; R277-W284 HydrophobicContact CG-CD2 4.22Å; R277-W284 HydrophobicContact CG-CE3 3.91Å; R277-W284 HydrophobicContact CG-CH2 4.18Å; R277-W284 HydrophobicContact CG-CZ2 4.44Å; R277-W284 HydrophobicContact CG-CZ3 3.9Å; R277-W284 VanDerWaalsContact NE-CZ2 3.29Å; W284-I309 HydrophobicContact CE3-CD1 4.31Å; W284-I309 HydrophobicContact CE3-CG1 4.41Å; W284-I309 HydrophobicContact CH2-CD1 3.62Å; W284-I309 HydrophobicContact CH2-CG1 3.94Å; W284-I309 HydrophobicContact CH2-CG2 4.1Å; W284-I309 HydrophobicContact CZ2-CD1 3.87Å; W284-I309 HydrophobicContact CZ3-CD1 3.87Å; W284-I309 HydrophobicContact CZ3-CG1 3.81Å; W284-L317 WeakPolarHBondContact CB-O 3.34Å; W284-L317 HydrophobicContact CG-CB 4.16Å; W284-G319 PolarHBondContact O-N 3.23Å; W284-T320 VanDerWaalsContact CD1-O 3.27Å; W284-T320 PolarHBondContact N-O 3.09Å; W284-K322 PolarHBondContact NE1-O 2.68Å; W284-V324 HydrophobicContact CZ2-CG2 4.08Å |
| 285 | R | 95.4 | Very high | 91.8 | Very high | 123 Ų | 123 | 69.1 Ų | 69.1 | 46% | 0.464 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.3 | 176.8 | -58.3 | 179.5 | -170.3 | 164.4 | 8.4 | 110.1 | L275 V276 | L275-R285 CarbonylContact C-O 3.59Å; L275-R285 WeakPolarHBondContact CA-O 3.24Å; V276-R285 HydrophobicContact CG2-CB 4.38Å; V276-R285 PolarHBondContact N-O 2.98Å; V276-R285 PolarHBondContact O-N 3.47Å |
| 286 | A | 96.6 | Very high | 91.2 | Very high | 60 Ų | 60 | 71.2 Ų | 71.2 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V274 L275 Y311 L318 | V274-A286 WeakPolarHBondContact O-CA 3.44Å; L275-A286 HydrophobicContact CD2-CB 4.49Å; A286-Y311 HydrophobicContact CB-CD2 4.46Å; A286-Y311 HydrophobicContact CB-CE2 4.28Å; A286-L318 HydrophobicContact CB-CD1 3.93Å |
| 287 | N | 96.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 76 Ų | 76 | 17% | 0.171 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 177.5 | 173.3 | -150.8 | -35.4 | 0 | 0 | 0 | 110.3 | V274 V276 C300 V301 W305 | V274-N287 HydrophobicContact CG2-CB 4.3Å; V274-N287 WeakPolarHBondContact CG2-O 3.49Å; V274-N287 PolarHBondContact N-O 2.82Å; V274-N287 PolarHBondContact O-N 3.41Å; V276-N287 HydrophobicContact CG1-CB 4.32Å; V276-N287 HydrophobicContact CG2-CB 3.71Å; N287-C300 HydrophobicContact CB-CB 4.18Å; N287-V301 PolarHBondContact ND2-O 3.4Å; N287-V301 PolarHBondContact OD1-N 2.82Å; N287-V301 PolarHBondContact OD1-O 3.2Å; N287-W305 PolarHBondContact ND2-NE1 2.88Å |
| 288 | L | 96.7 | Very high | 90.6 | Very high | 66 Ų | 66 | 78.9 Ų | 78.9 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126 | 172.4 | -60.9 | 177.2 | 0 | 0 | 0 | 108.6 | F271 D272 K273 C300 V301 | F271-L288 HydrophobicContact CD1-CD1 4.28Å; D272-L288 WeakPolarHBondContact O-CA 3.41Å; K273-L288 HydrophobicContact CG-CD2 4.14Å; L288-C300 VanDerWaalsContact O-CA 3.27Å; L288-C300 WeakPolarHBondContact O-CA 3.35Å; L288-C300 VanDerWaalsContact O-CB 3.29Å; L288-C300 WeakPolarHBondContact O-CB 3.44Å; L288-V301 HydrophobicContact CB-CG2 3.79Å; L288-V301 HydrophobicContact CD1-CG2 4.44Å; L288-V301 PolarHBondContact O-N 2.76Å |
| 289 | F | 95.8 | Very high | 90.7 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142.8 | 179.4 | 176.4 | -104.5 | 0 | 0 | 0 | 111.1 | L268 K269 P270 F271 D272 V274 I292 Y298 | L268-F289 HydrophobicContact CB-CB 4.47Å; L268-F289 HydrophobicContact CB-CD1 3.49Å; L268-F289 VanDerWaalsContact CB-CD1 3.49Å; L268-F289 HydrophobicContact CB-CD2 4.23Å; L268-F289 HydrophobicContact CB-CE1 3.59Å; L268-F289 HydrophobicContact CB-CE2 4.33Å; L268-F289 HydrophobicContact CB-CG 3.8Å; L268-F289 HydrophobicContact CB-CZ 4Å; L268-F289 HydrophobicContact CD1-CD2 3.88Å; L268-F289 HydrophobicContact CD1-CE2 4.17Å; L268-F289 HydrophobicContact CD1-CG 4.09Å; L268-F289 VanDerWaalsContact O-CE1 3.29Å; L268-F289 WeakPolarHBondContact O-CE1 3.39Å; K269-F289 WeakPolarHBondContact O-CD1 3.46Å; P270-F289 CarbonylContact C-O 3.51Å; P270-F289 WeakPolarHBondContact CA-O 3.38Å; F271-F289 PolarHBondContact N-O 3.11Å; D272-F289 HydrophobicContact CB-CB 4.5Å; D272-F289 PolarHBondContact O-N 2.65Å; V274-F289 HydrophobicContact CG1-CB 3.85Å; V274-F289 HydrophobicContact CG2-CB 4.1Å; F289-I292 HydrophobicContact CE2-CG1 4.05Å; F289-I292 HydrophobicContact CZ-CG1 3.99Å; F289-Y298 HydrophobicContact CD2-CD1 4.44Å; F289-Y298 AromaticContact CE2-CD1 3.93Å; F289-Y298 HydrophobicContact CE2-CD1 3.93Å |
| 290 | G | 94.5 | Very high | 90.9 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -73.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P270 R299 | P270-G290 WeakPolarHBondContact CG-O 3.37Å; G290-R299 WeakPolarHBondContact CA-O 3.25Å; G290-R299 PolarHBondContact N-O 3.33Å |
| 291 | Y | 92.1 | Very high | 91.3 | Very high | 148 Ų | 148 | 75.1 Ų | 75.1 | 58% | 0.58 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 172.3 | 179.7 | 61.6 | -83 | 0 | 0 | 0 | 110.9 | R299 | Y291-R299 HydrophobicContact CD1-CB 4.01Å; Y291-R299 HydrophobicContact CD1-CG 4.49Å; Y291-R299 HydrophobicContact CD2-CB 4.35Å; Y291-R299 HydrophobicContact CD2-CG 4.03Å; Y291-R299 HydrophobicContact CE1-CB 3.82Å; Y291-R299 HydrophobicContact CE1-CG 4.11Å; Y291-R299 HydrophobicContact CE2-CB 4.19Å; Y291-R299 HydrophobicContact CE2-CG 3.61Å; Y291-R299 HydrophobicContact CG-CB 4.27Å; Y291-R299 HydrophobicContact CG-CG 4.44Å; Y291-R299 PolarHBondContact N-O 2.87Å; Y291-R299 VanDerWaalsContact N-O 3.15Å; Y291-R299 WeakPolarHBondContact O-CB 3.36Å; Y291-R299 PolarHBondContact O-N 2.92Å |
| 292 | I | 89.5 | Confident | 91.3 | Very high | 98 Ų | 98 | 77.5 Ų | 77.5 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 123.5 | 172.3 | -55.3 | 176.1 | 0 | 0 | 0 | 108.5 | F289 Y298 | F289-I292 HydrophobicContact CE2-CG1 4.05Å; F289-I292 HydrophobicContact CZ-CG1 3.99Å; I292-Y298 HydrophobicContact CD1-CD1 4.31Å; I292-Y298 HydrophobicContact CD1-CE1 3.86Å; I292-Y298 HydrophobicContact CG1-CD1 3.9Å; I292-Y298 HydrophobicContact CG1-CE1 3.97Å |
| 293 | G | 85.2 | Confident | 91.3 | Very high | 11 Ų | 11 | 76.3 Ų | 76.3 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | trans | -67.8 | 159.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D295 G296 Y297 | G293-D295 WeakPolarHBondContact CA-OD1 3.48Å; G293-D295 PolarHBondContact O-N 3Å; G293-D295 VanDerWaalsContact O-N 3.11Å; G293-G296 PolarHBondContact O-N 3.13Å; G293-Y297 PolarHBondContact N-O 3.25Å | ||
| 294 | K | 82.2 | Confident | 91.2 | Very high | 229 Ų | 229 | 75.9 Ų | 75.9 | 100% | 0.996 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.2 | 174.2 | -70 | -174 | 177.3 | -178.6 | 0 | 113.2 | G296 | K294-G296 VanDerWaalsContact C-N 3.32Š|
| 295 | D | 82.6 | Confident | 91 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.7 | 175.8 | 57.4 | -13.8 | 0 | 0 | 0 | 113.7 | G293 Y297 R299 | G293-D295 WeakPolarHBondContact CA-OD1 3.48Å; G293-D295 PolarHBondContact O-N 3Å; G293-D295 VanDerWaalsContact O-N 3.11Å; D295-Y297 VanDerWaalsContact C-N 3.33Å; D295-Y297 HydrophobicContact CB-CD2 4.14Å; D295-Y297 PolarHBondContact O-N 2.86Å; D295-Y297 WeakPolarHBondContact OD2-CD2 3.38Å; D295-R299 VanDerWaalsContact CG-NH2 3.29Å; D295-R299 IonicContact OD1-CZ 3.82Å; D295-R299 IonicContact OD1-NH2 3.86Å; D295-R299 PolarHBondContact OD1-NH2 3.02Å; D295-R299 VanDerWaalsContact OD1-NH2 3.12Å; D295-R299 IonicContact OD2-CZ 3.76Å; D295-R299 IonicContact OD2-NH2 2.71Å; D295-R299 PolarHBondContact OD2-NH2 2.81Å |
| 296 | G | 81.4 | Confident | 90.7 | Very high | 45 Ų | 45 | 74.2 Ų | 74.2 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 86.3 | -7.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | G293 K294 | G293-G296 PolarHBondContact O-N 3.13Å; K294-G296 VanDerWaalsContact C-N 3.32Å |
| 297 | Y | 85.8 | Confident | 90.4 | Very high | 99 Ų | 99 | 75.3 Ų | 75.3 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | trans | -73.6 | 140.9 | 177.2 | -74.9 | -95.7 | 0 | 0 | 0 | 111.9 | G293 D295 R299 I306 | G293-Y297 PolarHBondContact N-O 3.25Å; D295-Y297 VanDerWaalsContact C-N 3.33Å; D295-Y297 HydrophobicContact CB-CD2 4.14Å; D295-Y297 PolarHBondContact O-N 2.86Å; D295-Y297 WeakPolarHBondContact OD2-CD2 3.38Å; Y297-R299 PolarHBondContact O-N 3.18Å; Y297-I306 HydrophobicContact CD1-CG1 4.04Å; Y297-I306 HydrophobicContact CE1-CD1 4.13Å; Y297-I306 HydrophobicContact CE1-CG1 3.49Å; Y297-I306 VanDerWaalsContact CE1-CG1 3.49Å | ||
| 298 | Y | 91 | Very high | 90.1 | Very high | 64 Ų | 64 | 74.4 Ų | 74.4 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 113 | 172.4 | -61.4 | -88.7 | 0 | 0 | 0 | 109.3 | F289 I292 C300 N304 W305 I306 C308 | F289-Y298 HydrophobicContact CD2-CD1 4.44Å; F289-Y298 AromaticContact CE2-CD1 3.93Å; F289-Y298 HydrophobicContact CE2-CD1 3.93Å; I292-Y298 HydrophobicContact CD1-CD1 4.31Å; I292-Y298 HydrophobicContact CD1-CE1 3.86Å; I292-Y298 HydrophobicContact CG1-CD1 3.9Å; I292-Y298 HydrophobicContact CG1-CE1 3.97Å; Y298-C300 PolarHBondContact O-N 2.83Å; Y298-N304 CarbonylContact O-C 3.42Å; Y298-N304 WeakPolarHBondContact O-CA 3.26Å; Y298-W305 PolarHBondContact N-O 3.36Å; Y298-W305 PolarHBondContact O-N 3.04Å; Y298-I306 WeakPolarHBondContact CD2-O 3.43Å; Y298-I306 WeakPolarHBondContact CE2-O 3.37Å; Y298-C308 HydrophobicContact CD1-CB 3.33Å; Y298-C308 HydrophobicContact CD2-CB 3.52Å; Y298-C308 HydrophobicContact CE1-CB 3.77Å; Y298-C308 HydrophobicContact CE2-CB 3.94Å; Y298-C308 HydrophobicContact CG-CB 3.2Å |
| 299 | R | 93 | Very high | 89.9 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 106.4 | 176.8 | -53.5 | -62.5 | 177 | 160.3 | -4.3 | 107.6 | G290 Y291 D295 Y297 N304 | G290-R299 WeakPolarHBondContact CA-O 3.25Å; G290-R299 PolarHBondContact N-O 3.33Å; Y291-R299 HydrophobicContact CD1-CB 4.01Å; Y291-R299 HydrophobicContact CD1-CG 4.49Å; Y291-R299 HydrophobicContact CD2-CB 4.35Å; Y291-R299 HydrophobicContact CD2-CG 4.03Å; Y291-R299 HydrophobicContact CE1-CB 3.82Å; Y291-R299 HydrophobicContact CE1-CG 4.11Å; Y291-R299 HydrophobicContact CE2-CB 4.19Å; Y291-R299 HydrophobicContact CE2-CG 3.61Å; Y291-R299 HydrophobicContact CG-CB 4.27Å; Y291-R299 HydrophobicContact CG-CG 4.44Å; Y291-R299 PolarHBondContact N-O 2.87Å; Y291-R299 VanDerWaalsContact N-O 3.15Å; Y291-R299 WeakPolarHBondContact O-CB 3.36Å; Y291-R299 PolarHBondContact O-N 2.92Å; D295-R299 VanDerWaalsContact CG-NH2 3.29Å; D295-R299 IonicContact OD1-CZ 3.82Å; D295-R299 IonicContact OD1-NH2 3.86Å; D295-R299 PolarHBondContact OD1-NH2 3.02Å; D295-R299 VanDerWaalsContact OD1-NH2 3.12Å; D295-R299 IonicContact OD2-CZ 3.76Å; D295-R299 IonicContact OD2-NH2 2.71Å; D295-R299 PolarHBondContact OD2-NH2 2.81Å; Y297-R299 PolarHBondContact O-N 3.18Å; R299-N304 WeakPolarHBondContact CD-OD1 3.41Å; R299-N304 PolarHBondContact NH1-ND2 3.42Å; R299-N304 PolarHBondContact NH1-OD1 3.21Å |
| 300 | C | 93.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 73.8 Ų | 73.8 | 10% | 0.095 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 175.5 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 109.7 | N287 L288 Y298 Y302 A303 | N287-C300 HydrophobicContact CB-CB 4.18Å; L288-C300 VanDerWaalsContact O-CA 3.27Å; L288-C300 WeakPolarHBondContact O-CA 3.35Å; L288-C300 VanDerWaalsContact O-CB 3.29Å; L288-C300 WeakPolarHBondContact O-CB 3.44Å; Y298-C300 PolarHBondContact O-N 2.83Å; C300-Y302 PolarHBondContact O-N 2.87Å; C300-A303 CarbonylContact C-O 3.53Å; C300-A303 PolarHBondContact N-O 2.83Å; C300-A303 PolarHBondContact O-N 3.18Å |
| 301 | V | 92.8 | Very high | 89.7 | Confident | 75 Ų | 75 | 76 Ų | 76 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -57.7 | 128.2 | 175.1 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | N287 L288 A303 | N287-V301 PolarHBondContact ND2-O 3.4Å; N287-V301 PolarHBondContact OD1-N 2.82Å; N287-V301 PolarHBondContact OD1-O 3.2Å; L288-V301 HydrophobicContact CB-CG2 3.79Å; L288-V301 HydrophobicContact CD1-CG2 4.44Å; L288-V301 PolarHBondContact O-N 2.76Å; V301-A303 PolarHBondContact O-N 2.78Å |
| 302 | Y | 89.5 | Confident | 89.6 | Confident | 239 Ų | 239 | 72.5 Ų | 72.5 | 94% | 0.937 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 69.8 | -20.6 | 178.2 | -170.5 | -101.4 | 0 | 0 | 0 | 117.6 | C300 | C300-Y302 PolarHBondContact O-N 2.87Š|
| 303 | A | 91.7 | Very high | 89.6 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 24% | 0.24 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -150.1 | 164.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.7 | C300 V301 W305 | C300-A303 CarbonylContact C-O 3.53Å; C300-A303 PolarHBondContact N-O 2.83Å; C300-A303 PolarHBondContact O-N 3.18Å; V301-A303 PolarHBondContact O-N 2.78Å; A303-W305 HydrophobicContact CB-CZ2 4.13Å |
| 304 | N | 93 | Very high | 89.9 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143 | 175.2 | -40.2 | -58 | 0 | 0 | 0 | 108.8 | Y298 R299 | Y298-N304 CarbonylContact O-C 3.42Å; Y298-N304 WeakPolarHBondContact O-CA 3.26Å; R299-N304 WeakPolarHBondContact CD-OD1 3.41Å; R299-N304 PolarHBondContact NH1-ND2 3.42Å; R299-N304 PolarHBondContact NH1-OD1 3.21Å |
| 305 | W | 93.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 64.7 Ų | 64.7 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.5 | -173 | -60.1 | 94 | 0 | 0 | 0 | 111.9 | V276 D278 N287 Y298 A303 | V276-W305 HydrophobicContact CB-CB 3.9Å; V276-W305 HydrophobicContact CB-CD2 3.66Å; V276-W305 HydrophobicContact CB-CE3 4.2Å; V276-W305 HydrophobicContact CB-CG 3.51Å; V276-W305 HydrophobicContact CG1-CB 4.2Å; V276-W305 HydrophobicContact CG1-CG 3.99Å; V276-W305 HydrophobicContact CG2-CD2 3.54Å; V276-W305 HydrophobicContact CG2-CE3 4.14Å; V276-W305 HydrophobicContact CG2-CG 3.79Å; V276-W305 HydrophobicContact CG2-CH2 4.42Å; V276-W305 HydrophobicContact CG2-CZ2 3.88Å; D278-W305 HydrophobicContact CB-CE3 4.49Å; D278-W305 WeakPolarHBondContact OD1-CA 3.25Å; N287-W305 PolarHBondContact ND2-NE1 2.88Å; Y298-W305 PolarHBondContact N-O 3.36Å; Y298-W305 PolarHBondContact O-N 3.04Å; A303-W305 HydrophobicContact CB-CZ2 4.13Å |
| 306 | I | 88.6 | Confident | 91 | Very high | 76 Ų | 76 | 66.1 Ų | 66.1 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -78.5 | -37.8 | 175.6 | -64.2 | -176.7 | 0 | 0 | 0 | 111.4 | D278 Y297 Y298 | D278-I306 WeakPolarHBondContact O-CB 3.29Å; D278-I306 WeakPolarHBondContact O-CD1 3.4Å; D278-I306 PolarHBondContact OD1-N 2.84Å; Y297-I306 HydrophobicContact CD1-CG1 4.04Å; Y297-I306 HydrophobicContact CE1-CD1 4.13Å; Y297-I306 HydrophobicContact CE1-CG1 3.49Å; Y297-I306 VanDerWaalsContact CE1-CG1 3.49Å; Y298-I306 WeakPolarHBondContact CD2-O 3.43Å; Y298-I306 WeakPolarHBondContact CE2-O 3.37Å |
| 307 | Y | 90.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 64.1 Ų | 64.1 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.3 | 179.7 | -59.3 | -83.7 | 0 | 0 | 0 | 110.8 | V276 R277 | V276-Y307 VanDerWaalsContact CA-O 3.26Å; V276-Y307 WeakPolarHBondContact CA-O 3.46Å; R277-Y307 HydrophobicContact CG-CD2 4.04Å; R277-Y307 HydrophobicContact CG-CG 4.26Å; R277-Y307 PolarHBondContact N-O 3.24Å; R277-Y307 PolarHBondContact O-N 2.86Å |
| 308 | C | 90.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 126.4 | 177.4 | -173.9 | 0 | 0 | 0 | 0 | 110 | L275 V276 Y298 | L275-C308 WeakPolarHBondContact O-CA 3.5Å; V276-C308 HydrophobicContact CG1-CB 4.13Å; Y298-C308 HydrophobicContact CD1-CB 3.33Å; Y298-C308 HydrophobicContact CD2-CB 3.52Å; Y298-C308 HydrophobicContact CE1-CB 3.77Å; Y298-C308 HydrophobicContact CE2-CB 3.94Å; Y298-C308 HydrophobicContact CG-CB 3.2Å |
| 309 | I | 91.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.2 | 178.6 | 62.9 | 178.2 | 0 | 0 | 0 | 110.1 | V274 L275 W284 Y311 N314 L317 V324 | V274-I309 CarbonylContact C-O 3.58Å; V274-I309 WeakPolarHBondContact CA-O 3.24Å; V274-I309 VanDerWaalsContact CB-O 3.24Å; V274-I309 WeakPolarHBondContact CB-O 3.33Å; L275-I309 HydrophobicContact CB-CD1 4.25Å; L275-I309 HydrophobicContact CB-CG1 3.79Å; L275-I309 HydrophobicContact CD1-CD1 4.42Å; L275-I309 PolarHBondContact N-O 3.49Å; L275-I309 PolarHBondContact O-N 3.28Å; W284-I309 HydrophobicContact CE3-CD1 4.31Å; W284-I309 HydrophobicContact CE3-CG1 4.41Å; W284-I309 HydrophobicContact CH2-CD1 3.62Å; W284-I309 HydrophobicContact CH2-CG1 3.94Å; W284-I309 HydrophobicContact CH2-CG2 4.1Å; W284-I309 HydrophobicContact CZ2-CD1 3.87Å; W284-I309 HydrophobicContact CZ3-CD1 3.87Å; W284-I309 HydrophobicContact CZ3-CG1 3.81Å; I309-Y311 PolarHBondContact O-N 3.34Å; I309-N314 HydrophobicContact CD1-CB 3.94Å; I309-L317 HydrophobicContact CD1-CD1 3.91Å; I309-V324 HydrophobicContact CD1-CG2 3.57Å; I309-V324 HydrophobicContact CG2-CG2 4.38Å |
| 310 | P | 92.8 | Very high | 92.4 | Very high | 32 Ų | 32 | 61.2 Ų | 61.2 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 137.5 | 171.9 | -27.5 | 36.5 | 0 | 0 | 0 | 111.9 | V266 L268 N314 | V266-P310 HydrophobicContact CB-CG 4.24Å; V266-P310 HydrophobicContact CG1-CG 3.25Å; V266-P310 HydrophobicContact CG2-CG 3.97Å; L268-P310 HydrophobicContact CD2-CG 4.23Å; P310-N314 WeakPolarHBondContact O-CB 3.12Å; P310-N314 PolarHBondContact O-ND2 2.68Å |
| 311 | Y | 93.7 | Very high | 92.4 | Very high | 69 Ų | 69 | 63 Ų | 63 | 27% | 0.271 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -66.8 | -42.9 | 170.4 | -175.2 | -86.6 | 0 | 0 | 0 | 111.1 | K273 L275 A286 I309 G313 N314 E315 L318 | K273-Y311 VanDerWaalsContact C-CB 3.46Å; K273-Y311 HydrophobicContact CB-CG 4.18Å; K273-Y311 WeakPolarHBondContact O-CB 3.49Å; K273-Y311 PolarHBondContact O-N 2.93Å; L275-Y311 HydrophobicContact CD2-CD2 3.67Å; L275-Y311 HydrophobicContact CD2-CE2 3.98Å; L275-Y311 HydrophobicContact CG-CD2 4.01Å; A286-Y311 HydrophobicContact CB-CD2 4.46Å; A286-Y311 HydrophobicContact CB-CE2 4.28Å; I309-Y311 PolarHBondContact O-N 3.34Å; Y311-G313 PolarHBondContact O-N 2.9Å; Y311-N314 PolarHBondContact O-N 3.01Å; Y311-E315 HydrophobicContact CD1-CG 3.85Å; Y311-E315 HydrophobicContact CE1-CB 4.32Å; Y311-E315 HydrophobicContact CE1-CG 3.4Å; Y311-E315 PolarHBondContact O-N 3.43Å; Y311-L318 HydrophobicContact CE2-CD2 4.16Å |
| 312 | A | 90.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 66.2 Ų | 66.2 | 62% | 0.62 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 123.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N314 E315 | A312-N314 VanDerWaalsContact C-N 3.31Å; A312-E315 WeakPolarHBondContact CA-OE1 3.39Å |
| 313 | G | 88.5 | Confident | 91.8 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 58% | 0.577 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86 | -10.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y311 E315 | Y311-G313 PolarHBondContact O-N 2.9Å; G313-E315 VanDerWaalsContact C-OE2 3.23Å; G313-E315 VanDerWaalsContact CA-OE2 3.22Å; G313-E315 WeakPolarHBondContact CA-OE2 3.31Å; G313-E315 VanDerWaalsContact N-CD 3.29Å; G313-E315 PolarHBondContact N-OE1 3.2Å; G313-E315 VanDerWaalsContact N-OE1 3.1Å; G313-E315 PolarHBondContact N-OE2 3Å |
| 314 | N | 91.4 | Very high | 91 | Very high | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | trans | -117.4 | 14.2 | 179 | -64.2 | -74.4 | 0 | 0 | 0 | 112.6 | L275 I309 P310 Y311 A312 H316 L317 | L275-N314 HydrophobicContact CD1-CB 3.94Å; L275-N314 WeakPolarHBondContact CD1-O 3.19Å; I309-N314 HydrophobicContact CD1-CB 3.94Å; P310-N314 WeakPolarHBondContact O-CB 3.12Å; P310-N314 PolarHBondContact O-ND2 2.68Å; Y311-N314 PolarHBondContact O-N 3.01Å; A312-N314 VanDerWaalsContact C-N 3.31Å; N314-H316 PolarHBondContact O-N 3.38Å; N314-H316 VanDerWaalsContact O-N 3.08Å; N314-L317 HydrophobicContact CB-CD1 4.18Å; N314-L317 WeakPolarHBondContact O-CB 3.4Å; N314-L317 PolarHBondContact O-N 3.02Å | ||
| 315 | E | 94.4 | Very high | 89.5 | Confident | 89 Ų | 89 | 65 Ų | 65 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -56.3 | -33.8 | -171.7 | -62 | 87.2 | 168 | 0 | 0 | 112.6 | Y311 A312 G313 L317 L318 | Y311-E315 HydrophobicContact CD1-CG 3.85Å; Y311-E315 HydrophobicContact CE1-CB 4.32Å; Y311-E315 HydrophobicContact CE1-CG 3.4Å; Y311-E315 PolarHBondContact O-N 3.43Å; A312-E315 WeakPolarHBondContact CA-OE1 3.39Å; G313-E315 VanDerWaalsContact C-OE2 3.23Å; G313-E315 VanDerWaalsContact CA-OE2 3.22Å; G313-E315 WeakPolarHBondContact CA-OE2 3.31Å; G313-E315 VanDerWaalsContact N-CD 3.29Å; G313-E315 PolarHBondContact N-OE1 3.2Å; G313-E315 VanDerWaalsContact N-OE1 3.1Å; G313-E315 PolarHBondContact N-OE2 3Å; E315-L317 PolarHBondContact O-N 3.24Å; E315-L318 WeakPolarHBondContact O-CB 3.33Å; E315-L318 PolarHBondContact O-N 3.29Å; E315-L318 VanDerWaalsContact O-N 3.17Å |
| 316 | H | 93.5 | Very high | 87.4 | Confident | 121 Ų | 121 | 71.2 Ų | 71.2 | 56% | 0.56 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -64.1 | -17.4 | 178.6 | 66.5 | -84.8 | 0 | 0 | 0 | 114.1 | N314 | N314-H316 PolarHBondContact O-N 3.38Å; N314-H316 VanDerWaalsContact O-N 3.08Å |
| 317 | L | 94.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -82.7 | -21 | 177.2 | -62.9 | 179.8 | 0 | 0 | 0 | 112.6 | L275 W284 I309 N314 E315 G319 T320 K322 V324 | L275-L317 HydrophobicContact CD1-CB 3.95Å; W284-L317 WeakPolarHBondContact CB-O 3.34Å; W284-L317 HydrophobicContact CG-CB 4.16Å; I309-L317 HydrophobicContact CD1-CD1 3.91Å; N314-L317 HydrophobicContact CB-CD1 4.18Å; N314-L317 WeakPolarHBondContact O-CB 3.4Å; N314-L317 PolarHBondContact O-N 3.02Å; E315-L317 PolarHBondContact O-N 3.24Å; L317-G319 PolarHBondContact O-N 3.29Å; L317-T320 WeakPolarHBondContact O-CB 3.34Å; L317-T320 PolarHBondContact O-N 2.79Å; L317-T320 PolarHBondContact O-OG1 3.29Å; L317-K322 HydrophobicContact CD2-CB 3.89Å; L317-V324 HydrophobicContact CD1-CB 4.45Å; L317-V324 HydrophobicContact CD1-CG2 3.84Å |
| 318 | L | 95.9 | Very high | 87.2 | Confident | 72 Ų | 72 | 70.3 Ų | 70.3 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -55.1 | 126.3 | -176.4 | 179.2 | 65.3 | 0 | 0 | 0 | 111.2 | L275 A286 Y311 E315 T320 | L275-L318 HydrophobicContact CD2-CB 4.1Å; L275-L318 HydrophobicContact CD2-CD1 3.65Å; L275-L318 HydrophobicContact CD2-CG 4.44Å; A286-L318 HydrophobicContact CB-CD1 3.93Å; Y311-L318 HydrophobicContact CE2-CD2 4.16Å; E315-L318 WeakPolarHBondContact O-CB 3.33Å; E315-L318 PolarHBondContact O-N 3.29Å; E315-L318 VanDerWaalsContact O-N 3.17Å; L318-T320 PolarHBondContact O-N 3.45Å |
| 319 | G | 96.3 | Very high | 87 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 53% | 0.526 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 6.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | W284 L317 | W284-G319 PolarHBondContact O-N 3.23Å; L317-G319 PolarHBondContact O-N 3.29Å |
| 320 | T | 94.6 | Very high | 86.8 | Confident | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.233 | 48% | 0.479 | C | S | . | . | trans | -112.8 | 159.4 | 177.1 | 82.3 | 0 | 0 | 0 | 0 | 111.2 | I283 W284 L317 L318 K322 | I283-T320 CarbonylContact C-O 3.55Å; I283-T320 VanDerWaalsContact CA-O 3.3Å; I283-T320 WeakPolarHBondContact CA-O 3.41Å; W284-T320 VanDerWaalsContact CD1-O 3.27Å; W284-T320 PolarHBondContact N-O 3.09Å; L317-T320 WeakPolarHBondContact O-CB 3.34Å; L317-T320 PolarHBondContact O-N 2.79Å; L317-T320 PolarHBondContact O-OG1 3.29Å; L318-T320 PolarHBondContact O-N 3.45Å; T320-K322 PolarHBondContact OG1-N 3.5Å | ||
| 321 | A | 92.9 | Very high | 86.4 | Confident | 51 Ų | 51 | 78.8 Ų | 78.8 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | trans | -96.3 | 11.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 322 | K | 90.1 | Very high | 85.9 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 144.1 | 178.3 | -66.4 | -177 | 178.1 | -175.8 | 0 | 109.7 | W284 L317 T320 | W284-K322 PolarHBondContact NE1-O 2.68Å; L317-K322 HydrophobicContact CD2-CB 3.89Å; T320-K322 PolarHBondContact OG1-N 3.5Å |
| 323 | D | 80.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -80 | 161.3 | 172.4 | -140.7 | -16.9 | 0 | 0 | 0 | 110.2 | R277 E325 | R277-D323 IonicContact CZ-OD1 2.76Å; R277-D323 IonicContact NH2-OD1 2.64Å; R277-D323 PolarHBondContact NH2-OD1 2.88Å; R277-D323 IonicContact NH2-OD2 3.53Å; D323-E325 PolarHBondContact O-N 3.15Å |
| 324 | V | 74.1 | Confident | 85.4 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 35% | 0.345 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 119.6 | 170.5 | -171.7 | 0 | 0 | 0 | 0 | 106.5 | W284 I309 L317 G326 | W284-V324 HydrophobicContact CZ2-CG2 4.08Å; I309-V324 HydrophobicContact CD1-CG2 3.57Å; I309-V324 HydrophobicContact CG2-CG2 4.38Å; L317-V324 HydrophobicContact CD1-CB 4.45Å; L317-V324 HydrophobicContact CD1-CG2 3.84Å; V324-G326 PolarHBondContact O-N 3.19Å |
| 325 | E | 62.3 | Low | 84.8 | Confident | 179 Ų | 179 | 86 Ų | 86 | 84% | 0.836 | 53% | 0.526 | S | S | * | . | trans | -57.9 | 115.1 | 172.4 | -71.5 | -179.1 | 178.7 | 0 | 0 | 107.5 | D323 | D323-E325 PolarHBondContact O-N 3.15Š| ||
| 326 | G | 48.9 | Very low | 84 | Confident | 149 Ų | 149 | 85.7 Ų | 85.7 | 100% | 1.536 | 54% | 0.536 | S | S | * | . | trans | -108.8 | 0 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V324 | V324-G326 PolarHBondContact O-N 3.19Š|
Retrieved 326 of 326 residues in 398.9 ms
(Link to these results)