| 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 | 27.6 | Very low | 30.6 | Very low | 250 Ų | 250 | 99 Ų | 99 | 100% | 1.232 | 62% | 0.619 | S | S | * | * | 0 | 94.7 | 0 | -72.4 | 173.1 | 171.6 | 0 | 0 | 108.1 | |||||
| 2 | G | 28.1 | Very low | 31.8 | Very low | 79 Ų | 79 | 94.2 Ų | 94.2 | 81% | 0.814 | 59% | 0.588 | S | S | * | * | trans | -115 | 97.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | G4 | G2-G4 PolarHBondContact O-N 2.95Š| ||
| 3 | S | 27.4 | Very low | 33 | Very low | 119 Ų | 119 | 90.7 Ų | 90.7 | 83% | 0.832 | 56% | 0.56 | S | S | * | * | trans | -64 | 102.9 | 170.2 | 49.4 | 0 | 0 | 0 | 0 | 107 | D5 | S3-D5 PolarHBondContact O-N 2.75Š| ||
| 4 | G | 28.8 | Very low | 34.6 | Very low | 66 Ų | 66 | 100.1 Ų | 100.1 | 68% | 0.68 | 58% | 0.58 | S | S | * | * | trans | -53.2 | 128.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G2 | G2-G4 PolarHBondContact O-N 2.95Š| ||
| 5 | D | 31.9 | Very low | 36.3 | Very low | 88 Ų | 88 | 94.3 Ų | 94.3 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | trans | -55.5 | 119.8 | -176.7 | -171.9 | -18 | 0 | 0 | 0 | 109.9 | S3 L7 V8 L9 | S3-D5 PolarHBondContact O-N 2.75Å; D5-L7 PolarHBondContact O-N 3.39Å; D5-L7 VanDerWaalsContact O-N 3.08Å; D5-L7 PolarHBondContact OD1-N 3.32Å; D5-V8 HydrophobicContact CB-CB 4.31Å; D5-V8 HydrophobicContact CB-CG2 3.86Å; D5-V8 WeakPolarHBondContact O-CB 3.38Å; D5-V8 PolarHBondContact O-N 2.67Å; D5-L9 PolarHBondContact O-N 3.45Å | ||
| 6 | P | 30.7 | Very low | 37.7 | Very low | 96 Ų | 96 | 88.7 Ų | 88.7 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -21.7 | -176.4 | 20.9 | -30.7 | 0 | 0 | 0 | 113.1 | T10 | P6-T10 PolarHBondContact O-N 2.83Å; P6-T10 PolarHBondContact O-OG1 3.18Å |
| 7 | L | 30.1 | Very low | 39.5 | Very low | 118 Ų | 118 | 83.5 Ų | 83.5 | 62% | 0.618 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.7 | -42 | 172 | -87.1 | 159.3 | 0 | 0 | 0 | 112.4 | D5 L9 T10 I11 | D5-L7 PolarHBondContact O-N 3.39Å; D5-L7 VanDerWaalsContact O-N 3.08Å; D5-L7 PolarHBondContact OD1-N 3.32Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.06Å; L7-T10 PolarHBondContact O-N 3.31Å; L7-T10 VanDerWaalsContact O-N 3.13Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.16Å |
| 8 | V | 31 | Very low | 41.2 | Very low | 87 Ų | 87 | 79.6 Ų | 79.6 | 53% | 0.527 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | D5 T10 I11 V12 | D5-V8 HydrophobicContact CB-CB 4.31Å; D5-V8 HydrophobicContact CB-CG2 3.86Å; D5-V8 WeakPolarHBondContact O-CB 3.38Å; D5-V8 PolarHBondContact O-N 2.67Å; V8-T10 VanDerWaalsContact C-N 3.29Å; V8-T10 PolarHBondContact O-N 3.11Å; V8-I11 PolarHBondContact O-N 3.44Å; V8-V12 WeakPolarHBondContact O-CG2 3.25Å; V8-V12 PolarHBondContact O-N 2.94Å |
| 9 | L | 32.6 | Very low | 43 | Very low | 80 Ų | 80 | 76.6 Ų | 76.6 | 42% | 0.419 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 176.6 | -152.8 | 83.6 | 0 | 0 | 0 | 111.7 | D5 L7 H13 | D5-L9 PolarHBondContact O-N 3.45Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.06Å; L9-H13 VanDerWaalsContact O-CB 3.25Å; L9-H13 WeakPolarHBondContact O-CB 3.4Å; L9-H13 PolarHBondContact O-CD2 3.41Å; L9-H13 PolarHBondContact O-N 3.09Å; L9-H13 VanDerWaalsContact O-N 3.09Å |
| 10 | T | 33.8 | Very low | 43.9 | Very low | 46 Ų | 46 | 72.8 Ų | 72.8 | 28% | 0.282 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73 | -33.5 | -178.6 | -52 | 0 | 0 | 0 | 0 | 112.6 | P6 L7 V8 R160 | P6-T10 PolarHBondContact O-N 2.83Å; P6-T10 PolarHBondContact O-OG1 3.18Å; L7-T10 PolarHBondContact O-N 3.31Å; L7-T10 VanDerWaalsContact O-N 3.13Å; V8-T10 VanDerWaalsContact C-N 3.29Å; V8-T10 PolarHBondContact O-N 3.11Å; T10-R160 PolarHBondContact OG1-NH2 3.38Å |
| 11 | I | 34.8 | Very low | 44.6 | Very low | 60 Ų | 60 | 71.5 Ų | 71.5 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -72.5 | -44.7 | 177.9 | -67.1 | 168.6 | 0 | 0 | 0 | 110.9 | L7 V8 H13 R14 H98 | L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.16Å; V8-I11 PolarHBondContact O-N 3.44Å; I11-H13 VanDerWaalsContact C-N 3.27Å; I11-H13 PolarHBondContact O-N 2.96Å; I11-R14 PolarHBondContact O-N 3.05Å; I11-H98 HydrophobicContact CD1-CB 3.97Å |
| 12 | V | 44.7 | Very low | 45.7 | Very low | 41 Ų | 41 | 62.7 Ų | 62.7 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | V8 R14 K15 F211 | V8-V12 WeakPolarHBondContact O-CG2 3.25Å; V8-V12 PolarHBondContact O-N 2.94Å; V12-R14 PolarHBondContact O-N 2.91Å; V12-R14 VanDerWaalsContact O-N 3.1Å; V12-K15 PolarHBondContact O-N 3.25Å; V12-K15 VanDerWaalsContact O-N 3.13Å; V12-F211 HydrophobicContact CG1-CE1 3.77Å |
| 13 | H | 47.7 | Very low | 47 | Very low | 49 Ų | 49 | 60.7 Ų | 60.7 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22 | 179.9 | -110 | -63.7 | 0 | 0 | 0 | 115.8 | L9 I11 S158 M179 | L9-H13 VanDerWaalsContact O-CB 3.25Å; L9-H13 WeakPolarHBondContact O-CB 3.4Å; L9-H13 PolarHBondContact O-CD2 3.41Å; L9-H13 PolarHBondContact O-N 3.09Å; L9-H13 VanDerWaalsContact O-N 3.09Å; I11-H13 VanDerWaalsContact C-N 3.27Å; I11-H13 PolarHBondContact O-N 2.96Å; H13-S158 WeakPolarHBondContact CE1-CB 3.35Å; H13-S158 PolarHBondContact CE1-OG 2.79Å; H13-S158 PolarHBondContact NE2-OG 2.89Å; H13-M179 HydrophobicContact CB-CE 4.35Å; H13-M179 WeakPolarHBondContact CD2-CE 3.38Å; H13-M179 WeakPolarHBondContact CE1-CE 3.14Å; H13-M179 VanDerWaalsContact CG-CE 3.48Å; H13-M179 WeakPolarHBondContact ND1-CE 3.32Å; H13-M179 WeakPolarHBondContact NE2-CE 3.23Å |
| 14 | R | 54.4 | Low | 47.7 | Very low | 222 Ų | 222 | 57.2 Ų | 57.2 | 84% | 0.838 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -1.7 | -178.7 | -69.4 | -169.8 | 176.7 | -151.9 | -1 | 113.5 | I11 V12 | I11-R14 PolarHBondContact O-N 3.05Å; V12-R14 PolarHBondContact O-N 2.91Å; V12-R14 VanDerWaalsContact O-N 3.1Å |
| 15 | K | 60.2 | Low | 48.4 | Very low | 14 Ų | 14 | 56.9 Ų | 56.9 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -100.2 | 133.6 | 177.5 | -61.1 | 178 | -177.8 | 168.2 | 0 | 108.8 | V12 G18 I20 I21 C100 F101 Q182 | V12-K15 PolarHBondContact O-N 3.25Å; V12-K15 VanDerWaalsContact O-N 3.13Å; K15-G18 VanDerWaalsContact CD-O 3.24Å; K15-G18 WeakPolarHBondContact CD-O 3.42Å; K15-G18 PolarHBondContact O-N 2.99Å; K15-I20 CarbonylContact C-O 3.47Å; K15-I20 WeakPolarHBondContact CA-O 3.38Å; K15-I21 HydrophobicContact CD-CG2 4.32Å; K15-I21 HydrophobicContact CG-CG2 3.81Å; K15-C100 PolarHBondContact NZ-O 2.55Å; K15-F101 HydrophobicContact CD-CB 3.91Å; K15-F101 HydrophobicContact CD-CD1 4.44Å; K15-F101 HydrophobicContact CD-CG 4.34Å; K15-Q182 PolarHBondContact O-NE2 3.16Å; K15-Q182 VanDerWaalsContact O-NE2 3.14Å |
| 16 | F | 58.7 | Low | 48.7 | Very low | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 131.4 | 169.1 | -176.2 | -87.2 | 0 | 0 | 0 | 107.4 | G18 I20 V23 Y25 F28 W136 I186 | F16-G18 PolarHBondContact O-N 3.3Å; F16-I20 HydrophobicContact CB-CB 4.23Å; F16-I20 HydrophobicContact CB-CG2 4.47Å; F16-I20 HydrophobicContact CD1-CB 4.26Å; F16-I20 HydrophobicContact CD1-CD1 4.2Å; F16-I20 HydrophobicContact CD1-CG2 4.49Å; F16-I20 PolarHBondContact N-O 3.19Å; F16-I20 WeakPolarHBondContact O-CA 3.19Å; F16-I20 WeakPolarHBondContact O-CB 3.37Å; F16-I20 PolarHBondContact O-N 2.75Å; F16-V23 HydrophobicContact CB-CB 4.37Å; F16-V23 HydrophobicContact CD2-CG1 4.42Å; F16-V23 HydrophobicContact CG-CG1 4.4Å; F16-Y25 AromaticContact CD2-CD1 3.8Å; F16-Y25 HydrophobicContact CD2-CD1 3.8Å; F16-Y25 AromaticContact CD2-CE1 3.32Å; F16-Y25 HydrophobicContact CD2-CE1 3.32Å; F16-Y25 HydrophobicContact CD2-CE2 4.25Å; F16-Y25 HydrophobicContact CD2-CG 4.45Å; F16-Y25 AromaticContact CD2-CZ 3.57Å; F16-Y25 AromaticContact CE2-CD1 3.65Å; F16-Y25 HydrophobicContact CE2-CD1 3.65Å; F16-Y25 AromaticContact CE2-CE1 3.25Å; F16-Y25 HydrophobicContact CE2-CE1 3.25Å; F16-Y25 AromaticContact CE2-CZ 3.99Å; F16-Y25 HydrophobicContact CZ-CE1 4.43Å; F16-F28 HydrophobicContact CD2-CE2 4.44Å; F16-F28 AromaticContact CE2-CE2 3.91Å; F16-F28 HydrophobicContact CE2-CE2 3.91Å; F16-F28 HydrophobicContact CZ-CE2 4.26Å; F16-W136 HydrophobicContact CD1-CE3 4.48Å; F16-W136 AromaticContact CD1-CZ3 3.96Å; F16-W136 HydrophobicContact CD1-CZ3 3.96Å; F16-W136 HydrophobicContact CE1-CE3 4.17Å; F16-W136 AromaticContact CE1-CZ3 3.92Å; F16-W136 HydrophobicContact CE1-CZ3 3.92Å; F16-I186 HydrophobicContact CE1-CD1 3.42Å; F16-I186 VanDerWaalsContact CE1-CD1 3.42Å; F16-I186 HydrophobicContact CZ-CD1 3.42Å; F16-I186 VanDerWaalsContact CZ-CD1 3.42Å |
| 17 | E | 68.8 | Low | 49.1 | Very low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 33.4 | -177.1 | -69.2 | 178.4 | -174 | 0 | 0 | 114.3 | D19 I20 H137 S140 Y206 | E17-D19 PolarHBondContact O-N 2.91Å; E17-I20 HydrophobicContact CB-CD1 4.28Å; E17-H137 WeakPolarHBondContact CB-ND1 3.5Å; E17-H137 PolarHBondContact O-CE1 3.32Å; E17-H137 IonicContact OE2-CE1 3.96Å; E17-H137 IonicContact OE2-CG 3.77Å; E17-H137 IonicContact OE2-ND1 2.98Å; E17-H137 PolarHBondContact OE2-ND1 3.06Å; E17-S140 WeakPolarHBondContact OE1-CB 3.35Å; E17-S140 PolarHBondContact OE1-OG 2.75Å; E17-S140 PolarHBondContact OE2-OG 3.49Å; E17-S140 VanDerWaalsContact OE2-OG 3.1Å; E17-Y206 WeakPolarHBondContact CA-OH 3.28Å; E17-Y206 VanDerWaalsContact CB-OH 3.23Å; E17-Y206 WeakPolarHBondContact CB-OH 3.38Å; E17-Y206 PolarHBondContact O-OH 2.92Å |
| 18 | G | 70.6 | Confident | 49.8 | Very low | 13 Ų | 13 | 55.6 Ų | 55.6 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -25.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K15 F16 | K15-G18 VanDerWaalsContact CD-O 3.24Å; K15-G18 WeakPolarHBondContact CD-O 3.42Å; K15-G18 PolarHBondContact O-N 2.99Å; F16-G18 PolarHBondContact O-N 3.3Å |
| 19 | D | 74.7 | Confident | 50 | Low | 24 Ų | 24 | 57.9 Ų | 57.9 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | 5.1 | -175.1 | 56.9 | 12.6 | 0 | 0 | 0 | 113.7 | E17 F101 S102 H127 H131 H137 | E17-D19 PolarHBondContact O-N 2.91Å; D19-F101 HydrophobicContact CB-CB 4.42Å; D19-F101 CarbonylContact O-C 3.49Å; D19-F101 WeakPolarHBondContact O-CA 3.32Å; D19-F101 WeakPolarHBondContact O-CB 3.04Å; D19-S102 PolarHBondContact O-N 3.19Å; D19-H127 IonicContact OD2-CD2 3.47Å; D19-H127 IonicContact OD2-NE2 2.71Å; D19-H127 PolarHBondContact OD2-NE2 2.85Å; D19-H131 IonicContact OD1-NE2 3.72Å; D19-H131 IonicContact OD2-NE2 2.66Å; D19-H137 IonicContact OD1-CE1 3.5Å; D19-H137 PolarHBondContact OD1-CE1 3.07Å; D19-H137 IonicContact OD1-NE2 2.8Å; D19-H137 IonicContact OD2-CE1 3.38Å; D19-H137 IonicContact OD2-NE2 3.2Å |
| 20 | I | 61 | Low | 50.2 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 127.6 | 173.6 | -57.8 | 169.4 | 0 | 0 | 0 | 110.7 | K15 F16 E17 V23 S102 V104 W136 | K15-I20 CarbonylContact C-O 3.47Å; K15-I20 WeakPolarHBondContact CA-O 3.38Å; F16-I20 HydrophobicContact CB-CB 4.23Å; F16-I20 HydrophobicContact CB-CG2 4.47Å; F16-I20 HydrophobicContact CD1-CB 4.26Å; F16-I20 HydrophobicContact CD1-CD1 4.2Å; F16-I20 HydrophobicContact CD1-CG2 4.49Å; F16-I20 PolarHBondContact N-O 3.19Å; F16-I20 WeakPolarHBondContact O-CA 3.19Å; F16-I20 WeakPolarHBondContact O-CB 3.37Å; F16-I20 PolarHBondContact O-N 2.75Å; E17-I20 HydrophobicContact CB-CD1 4.28Å; I20-V23 HydrophobicContact CG2-CG2 3.78Å; I20-S102 WeakPolarHBondContact CA-O 3.42Å; I20-V104 HydrophobicContact CD1-CG2 3.76Å; I20-V104 HydrophobicContact CG1-CG2 4.04Å; I20-V104 HydrophobicContact CG2-CG2 3.71Å; I20-W136 HydrophobicContact CD1-CE3 3.51Å; I20-W136 HydrophobicContact CD1-CZ3 3.77Å; I20-W136 HydrophobicContact CG2-CZ3 4Å |
| 21 | I | 59 | Low | 50 | Low | 45 Ų | 45 | 64 Ų | 64 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | trans | -113 | 167 | 173.3 | 59.8 | 157.9 | 0 | 0 | 0 | 111.6 | K15 V23 F101 S102 M103 | K15-I21 HydrophobicContact CD-CG2 4.32Å; K15-I21 HydrophobicContact CG-CG2 3.81Å; I21-V23 VanDerWaalsContact C-N 3.31Å; I21-V23 PolarHBondContact O-N 3.42Å; I21-F101 HydrophobicContact CB-CD2 4.46Å; I21-F101 HydrophobicContact CD1-CD2 3.62Å; I21-F101 HydrophobicContact CD1-CE2 3.51Å; I21-F101 HydrophobicContact CG1-CD2 3.78Å; I21-F101 HydrophobicContact CG1-CE2 4.21Å; I21-F101 HydrophobicContact CG2-CB 4.46Å; I21-F101 HydrophobicContact CG2-CD2 3.84Å; I21-F101 HydrophobicContact CG2-CE2 4.32Å; I21-F101 HydrophobicContact CG2-CG 4.29Å; I21-S102 WeakPolarHBondContact CG1-O 3.37Å; I21-S102 PolarHBondContact N-O 3.27Å; I21-M103 HydrophobicContact CD1-CE 3.92Å; I21-M103 HydrophobicContact CD1-CG 4.01Å; I21-M103 HydrophobicContact CD1-SD 4.48Å; I21-M103 HydrophobicContact CG1-CG 3.62Å; I21-M103 WeakPolarHBondContact O-CG 3.42Å | ||
| 22 | G | 51.1 | Low | 49.7 | Very low | 65 Ų | 65 | 64.1 Ų | 64.1 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 79.5 | 12.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 23 | V | 53.7 | Low | 48.8 | Very low | 37 Ų | 37 | 70.9 Ų | 70.9 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | trans | -124.4 | 122.3 | -178.9 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | F16 I20 I21 F28 W136 | F16-V23 HydrophobicContact CB-CB 4.37Å; F16-V23 HydrophobicContact CD2-CG1 4.42Å; F16-V23 HydrophobicContact CG-CG1 4.4Å; I20-V23 HydrophobicContact CG2-CG2 3.78Å; I21-V23 VanDerWaalsContact C-N 3.31Å; I21-V23 PolarHBondContact O-N 3.42Å; V23-F28 HydrophobicContact CG1-CE2 3.35Å; V23-F28 HydrophobicContact CG1-CZ 3.47Å; V23-F28 VanDerWaalsContact CG1-CZ 3.47Å; V23-W136 HydrophobicContact CG1-CH2 4.16Å; V23-W136 HydrophobicContact CG2-CH2 3.7Å; V23-W136 HydrophobicContact CG2-CZ3 4.17Å | ||
| 24 | S | 43.5 | Very low | 48 | Very low | 47 Ų | 47 | 74 Ų | 74 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | trans | -92.5 | 144.1 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | E26 D27 | S24-E26 PolarHBondContact O-N 2.95Å; S24-E26 VanDerWaalsContact O-N 3.16Å; S24-E26 PolarHBondContact OG-N 3.18Å; S24-D27 WeakPolarHBondContact CB-OD2 3.13Å; S24-D27 PolarHBondContact N-OD2 3.01Å; S24-D27 WeakPolarHBondContact O-CB 3.5Å; S24-D27 PolarHBondContact O-N 2.66Å; S24-D27 VanDerWaalsContact O-N 3.11Å | ||
| 25 | Y | 43.3 | Very low | 47 | Very low | 59 Ų | 59 | 66.8 Ų | 66.8 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -62.3 | -19.7 | 173.2 | -74.1 | -75.2 | 0 | 0 | 0 | 113 | F16 D27 L176 G181 R184 | F16-Y25 AromaticContact CD2-CD1 3.8Å; F16-Y25 HydrophobicContact CD2-CD1 3.8Å; F16-Y25 AromaticContact CD2-CE1 3.32Å; F16-Y25 HydrophobicContact CD2-CE1 3.32Å; F16-Y25 HydrophobicContact CD2-CE2 4.25Å; F16-Y25 HydrophobicContact CD2-CG 4.45Å; F16-Y25 AromaticContact CD2-CZ 3.57Å; F16-Y25 AromaticContact CE2-CD1 3.65Å; F16-Y25 HydrophobicContact CE2-CD1 3.65Å; F16-Y25 AromaticContact CE2-CE1 3.25Å; F16-Y25 HydrophobicContact CE2-CE1 3.25Å; F16-Y25 AromaticContact CE2-CZ 3.99Å; F16-Y25 HydrophobicContact CZ-CE1 4.43Å; Y25-D27 VanDerWaalsContact C-N 3.32Å; Y25-L176 HydrophobicContact CD1-CD2 3.39Å; Y25-L176 HydrophobicContact CE1-CD2 4Å; Y25-L176 HydrophobicContact CG-CD2 3.7Å; Y25-G181 PolarHBondContact OH-O 3.34Å; Y25-R184 PolarHBondContact O-NH1 3.49Å |
| 26 | E | 37.1 | Very low | 46.5 | Very low | 175 Ų | 175 | 69.9 Ų | 69.9 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -75.6 | -16.6 | 177 | -64.9 | 168.1 | 170.6 | 0 | 0 | 113 | S24 F28 | S24-E26 PolarHBondContact O-N 2.95Å; S24-E26 VanDerWaalsContact O-N 3.16Å; S24-E26 PolarHBondContact OG-N 3.18Å; E26-F28 PolarHBondContact O-N 2.91Å |
| 27 | D | 40.7 | Very low | 46.1 | Very low | 86 Ų | 86 | 69.8 Ų | 69.8 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -74.5 | -4.3 | -178.8 | -61.9 | -37.5 | 0 | 0 | 0 | 113.2 | S24 Y25 Y190 | S24-D27 WeakPolarHBondContact CB-OD2 3.13Å; S24-D27 PolarHBondContact N-OD2 3.01Å; S24-D27 WeakPolarHBondContact O-CB 3.5Å; S24-D27 PolarHBondContact O-N 2.66Å; S24-D27 VanDerWaalsContact O-N 3.11Å; Y25-D27 VanDerWaalsContact C-N 3.32Å; D27-Y190 WeakPolarHBondContact O-CE2 3.17Å; D27-Y190 PolarHBondContact O-OH 2.94Å |
| 28 | F | 44.5 | Very low | 45.3 | Very low | 14 Ų | 14 | 69.8 Ų | 69.8 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | trans | -116.5 | 82 | -171.4 | -61.1 | -68.4 | 0 | 0 | 0 | 110.8 | F16 V23 E26 W136 R184 I186 D187 Y190 | F16-F28 HydrophobicContact CD2-CE2 4.44Å; F16-F28 AromaticContact CE2-CE2 3.91Å; F16-F28 HydrophobicContact CE2-CE2 3.91Å; F16-F28 HydrophobicContact CZ-CE2 4.26Å; V23-F28 HydrophobicContact CG1-CE2 3.35Å; V23-F28 HydrophobicContact CG1-CZ 3.47Å; V23-F28 VanDerWaalsContact CG1-CZ 3.47Å; E26-F28 PolarHBondContact O-N 2.91Å; F28-W136 HydrophobicContact CZ-CH2 4.3Å; F28-R184 PolarHBondContact O-NH2 3.22Å; F28-R184 VanDerWaalsContact O-NH2 3.16Å; F28-I186 HydrophobicContact CD1-CG2 4.46Å; F28-I186 HydrophobicContact CE1-CD1 4.21Å; F28-I186 HydrophobicContact CE1-CG2 3.81Å; F28-I186 HydrophobicContact CZ-CD1 3.85Å; F28-I186 HydrophobicContact CZ-CG2 4.45Å; F28-D187 WeakPolarHBondContact CA-OD2 3.48Å; F28-D187 HydrophobicContact CB-CB 4.32Å; F28-D187 VanDerWaalsContact CB-OD2 3.23Å; F28-D187 WeakPolarHBondContact CB-OD2 3.25Å; F28-D187 HydrophobicContact CD1-CB 4.1Å; F28-D187 VanDerWaalsContact O-OD2 3.11Å; F28-Y190 AromaticContact CD1-CD2 3.62Å; F28-Y190 HydrophobicContact CD1-CD2 3.62Å; F28-Y190 AromaticContact CD1-CE2 3.81Å; F28-Y190 HydrophobicContact CD1-CE2 3.81Å; F28-Y190 AromaticContact CE1-CD2 3.81Å; F28-Y190 HydrophobicContact CE1-CD2 3.81Å; F28-Y190 HydrophobicContact CE1-CE2 4.29Å; F28-Y190 HydrophobicContact CE1-CG 4.28Å | ||
| 29 | D | 34.9 | Very low | 44.6 | Very low | 135 Ų | 135 | 69.4 Ų | 69.4 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | trans | -90.4 | 140 | 175.6 | -173.1 | 19.7 | 0 | 0 | 0 | 112.3 | ||||
| 30 | H | 36.5 | Very low | 43.5 | Very low | 153 Ų | 153 | 74.5 Ų | 74.5 | 71% | 0.708 | 41% | 0.409 | S | S | * | . | trans | -76 | 118.9 | -165.1 | -76 | -59.8 | 0 | 0 | 0 | 113.3 | ||||
| 31 | S | 30.7 | Very low | 43.5 | Very low | 100 Ų | 100 | 78 Ų | 78 | 70% | 0.699 | 43% | 0.428 | S | S | * | . | trans | -160.6 | 135.8 | 144.1 | 64.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 32 | G | 26.8 | Very low | 44.1 | Very low | 63 Ų | 63 | 83.4 Ų | 83.4 | 65% | 0.649 | 45% | 0.45 | S | S | * | . | trans | 79.1 | 125 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | M34 P188 | G32-M34 PolarHBondContact O-N 2.7Å; G32-P188 VanDerWaalsContact O-CG 3.32Å; G32-P188 WeakPolarHBondContact O-CG 3.45Å | ||
| 33 | L | 27.5 | Very low | 44.8 | Very low | 184 Ų | 184 | 86.9 Ų | 86.9 | 96% | 0.963 | 45% | 0.448 | S | S | * | . | trans | -43.5 | 103.9 | 174.7 | -143.6 | 91.8 | 0 | 0 | 0 | 113.8 | ||||
| 34 | M | 30.4 | Very low | 45.8 | Very low | 113 Ų | 113 | 87.3 Ų | 87.3 | 56% | 0.557 | 45% | 0.449 | S | S | * | . | trans | -149.7 | 140.3 | 157 | -78.1 | -158.7 | -151.8 | 0 | 0 | 112.5 | G32 T142 P188 | G32-M34 PolarHBondContact O-N 2.7Å; M34-T142 WeakPolarHBondContact O-CB 3.16Å; M34-T142 WeakPolarHBondContact O-CG2 3.49Å; M34-T142 PolarHBondContact O-OG1 2.89Å; M34-P188 HydrophobicContact CB-CB 3.73Å | ||
| 35 | T | 33.2 | Very low | 47.8 | Very low | 71 Ų | 71 | 86.1 Ų | 86.1 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | trans | -62 | 142.1 | 174.1 | 39.1 | 0 | 0 | 0 | 0 | 109.6 | T142 Y193 | T35-T142 VanDerWaalsContact C-OG1 3.27Å; T35-T142 WeakPolarHBondContact CA-OG1 3.21Å; T35-Y193 VanDerWaalsContact C-CE2 3.5Å; T35-Y193 HydrophobicContact CG2-CE2 3.89Å | ||
| 36 | R | 49.3 | Very low | 50.1 | Low | 79 Ų | 79 | 83.6 Ų | 83.6 | 30% | 0.298 | 43% | 0.429 | S | S | . | . | trans | 171.8 | 0 | 135.5 | -77.6 | 171.4 | 172 | -152.9 | 11.4 | 122.4 | T142 L191 D192 Y193 | R36-T142 PolarHBondContact N-OG1 3.21Å; R36-T142 VanDerWaalsContact N-OG1 3.14Å; R36-L191 HydrophobicContact CB-CD2 3.79Å; R36-L191 WeakPolarHBondContact CB-O 3.47Å; R36-L191 WeakPolarHBondContact O-CD2 3.49Å; R36-D192 VanDerWaalsContact CB-N 3.34Å; R36-D192 VanDerWaalsContact CD-OD1 3.27Å; R36-D192 WeakPolarHBondContact CD-OD1 3.45Å; R36-D192 IonicContact CZ-OD1 2.72Å; R36-D192 IonicContact NE-OD1 3.79Å; R36-D192 VanDerWaalsContact NH1-CG 3.27Å; R36-D192 IonicContact NH1-OD1 2.9Å; R36-D192 PolarHBondContact NH1-OD1 3.19Å; R36-D192 IonicContact NH1-OD2 3.86Å; R36-D192 PolarHBondContact NH1-OD2 2.97Å; R36-Y193 VanDerWaalsContact CA-CD2 3.42Å; R36-Y193 WeakPolarHBondContact CA-OH 3.29Å; R36-Y193 HydrophobicContact CB-CD1 4.07Å; R36-Y193 HydrophobicContact CB-CD2 3.97Å; R36-Y193 HydrophobicContact CB-CE1 4.28Å; R36-Y193 HydrophobicContact CB-CE2 4.26Å; R36-Y193 HydrophobicContact CB-CG 3.81Å; R36-Y193 VanDerWaalsContact CD-N 3.25Å; R36-Y193 VanDerWaalsContact CG-CB 3.48Å; R36-Y193 HydrophobicContact CG-CD1 4.2Å; R36-Y193 HydrophobicContact CG-CD2 3.34Å; R36-Y193 HydrophobicContact CG-CE2 3.99Å; R36-Y193 HydrophobicContact CG-CG 3.41Å; R36-Y193 VanDerWaalsContact CG-CG 3.41Å; R36-Y193 PolarHBondContact N-OH 3.15Å; R36-Y193 WeakPolarHBondContact O-CE1 3.36Å; R36-Y193 PolarHBondContact O-OH 2.98Å | ||
| 37 | S | 51 | Low | 52.7 | Low | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.014 | 42% | 0.419 | C | S | . | . | S | Bend | 0 | -20.9 | 0 | -21.8 | 0 | 0 | 0 | 0 | 123 | W136 E138 R141 D192 Y193 | S37-W136 WeakPolarHBondContact O-CB 3.32Å; S37-W136 PolarHBondContact O-N 3.06Å; S37-W136 VanDerWaalsContact O-N 3.15Å; S37-E138 WeakPolarHBondContact CB-OE2 3.45Å; S37-E138 PolarHBondContact OG-OE2 2.88Å; S37-R141 WeakPolarHBondContact OG-CD 3.2Å; S37-R141 WeakPolarHBondContact OG-CG 3.34Å; S37-R141 PolarHBondContact OG-NH1 3.03Å; S37-D192 CarbonylContact C-O 3.39Å; S37-D192 PolarHBondContact N-O 2.66Å; S37-D192 VanDerWaalsContact N-O 3.15Å; S37-Y193 VanDerWaalsContact OG-CD1 3.28Å; S37-Y193 WeakPolarHBondContact OG-CD1 3.23Å; S37-Y193 WeakPolarHBondContact OG-CE1 3.29Å | |
| 38 | S | 51.3 | Low | 55.1 | Low | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.007 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 170.5 | -179.2 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | R40 G134 L191 D192 | S38-R40 PolarHBondContact O-N 3.5Å; S38-G134 CarbonylContact C-O 3.2Å; S38-G134 WeakPolarHBondContact CA-O 3.01Å; S38-L191 VanDerWaalsContact N-CD2 3.27Å; S38-L191 CarbonylContact O-C 3.56Å; S38-L191 VanDerWaalsContact O-C 3.32Å; S38-L191 WeakPolarHBondContact O-CA 3.46Å; S38-L191 WeakPolarHBondContact O-CD2 3.34Å; S38-L191 WeakPolarHBondContact O-CG 3.48Å; S38-D192 PolarHBondContact N-O 3.08Å; S38-D192 PolarHBondContact O-N 2.96Å; S38-D192 PolarHBondContact OG-O 2.85Å |
| 39 | V | 55.5 | Low | 57.5 | Low | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.024 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 136 | 178.9 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | L44 L45 V104 G134 Y190 | V39-L44 HydrophobicContact CB-CB 4.48Å; V39-L44 HydrophobicContact CB-CD1 4.23Å; V39-L44 HydrophobicContact CG1-CD1 4.06Å; V39-L44 HydrophobicContact CG2-CB 4.22Å; V39-L45 HydrophobicContact CG2-CD2 3.82Å; V39-V104 HydrophobicContact CG1-CG1 3.54Å; V39-G134 PolarHBondContact N-O 3.12Å; V39-Y190 CarbonylContact C-O 3.54Å; V39-Y190 WeakPolarHBondContact CA-O 3.32Å |
| 40 | R | 53.2 | Low | 60.4 | Low | 131 Ų | 131 | 82.3 Ų | 82.3 | 49% | 0.494 | 42% | 0.422 | S | S | . | . | trans | -88.5 | -31.8 | 176.6 | -173.8 | 176 | 175.3 | -171.6 | -2.6 | 113.3 | S38 K42 P189 Y190 | S38-R40 PolarHBondContact O-N 3.5Å; R40-K42 PolarHBondContact O-N 2.96Å; R40-P189 WeakPolarHBondContact CD-O 3.33Å; R40-Y190 PolarHBondContact N-O 3.21Å | ||
| 41 | N | 60.6 | Low | 63.4 | Low | 73 Ų | 73 | 75 Ų | 75 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | trans | -74.6 | 108.6 | -179 | -176.7 | -3.3 | 0 | 0 | 0 | 110.2 | H43 L44 | N41-H43 PolarHBondContact O-N 2.85Å; N41-H43 VanDerWaalsContact O-N 3.09Å; N41-H43 VanDerWaalsContact OD1-CB 3.25Å; N41-H43 WeakPolarHBondContact OD1-CB 3.33Å; N41-H43 PolarHBondContact OD1-CD2 2.94Å; N41-H43 PolarHBondContact OD1-N 2.77Å; N41-L44 HydrophobicContact CB-CD1 4.07Å; N41-L44 HydrophobicContact CB-CG 4.01Å; N41-L44 WeakPolarHBondContact O-CB 3.48Å; N41-L44 PolarHBondContact O-N 3.26Å | ||
| 42 | K | 71.6 | Confident | 66.6 | Low | 159 Ų | 159 | 70.7 Ų | 70.7 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -58.3 | -21.9 | 178.1 | -68.8 | -172.7 | 176.9 | -173.9 | 0 | 113.5 | R40 L44 L45 | R40-K42 PolarHBondContact O-N 2.96Å; K42-L44 PolarHBondContact O-N 2.84Å; K42-L45 HydrophobicContact CB-CD1 4.45Å; K42-L45 HydrophobicContact CG-CD1 4.34Å; K42-L45 WeakPolarHBondContact O-CB 3.35Å; K42-L45 PolarHBondContact O-N 3.46Å |
| 43 | H | 66.5 | Low | 70 | Confident | 138 Ų | 138 | 68.7 Ų | 68.7 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -67.8 | -18.5 | 174.1 | -60.2 | -61.3 | 0 | 0 | 0 | 113.4 | N41 L45 R106 | N41-H43 PolarHBondContact O-N 2.85Å; N41-H43 VanDerWaalsContact O-N 3.09Å; N41-H43 VanDerWaalsContact OD1-CB 3.25Å; N41-H43 WeakPolarHBondContact OD1-CB 3.33Å; N41-H43 PolarHBondContact OD1-CD2 2.94Å; N41-H43 PolarHBondContact OD1-N 2.77Å; H43-L45 VanDerWaalsContact C-N 3.3Å; H43-R106 PolarHBondContact O-NH2 2.84Å |
| 44 | L | 73.8 | Confident | 73.3 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -87.3 | -1.1 | 173.5 | -53.1 | -179.7 | 0 | 0 | 0 | 112.1 | V39 N41 K42 G105 R106 M107 | V39-L44 HydrophobicContact CB-CB 4.48Å; V39-L44 HydrophobicContact CB-CD1 4.23Å; V39-L44 HydrophobicContact CG1-CD1 4.06Å; V39-L44 HydrophobicContact CG2-CB 4.22Å; N41-L44 HydrophobicContact CB-CD1 4.07Å; N41-L44 HydrophobicContact CB-CG 4.01Å; N41-L44 WeakPolarHBondContact O-CB 3.48Å; N41-L44 PolarHBondContact O-N 3.26Å; K42-L44 PolarHBondContact O-N 2.84Å; L44-G105 CarbonylContact O-C 3.51Å; L44-G105 WeakPolarHBondContact O-CA 3.11Å; L44-R106 PolarHBondContact O-N 2.73Å; L44-M107 HydrophobicContact CD2-CE 3.66Å |
| 45 | L | 85.1 | Confident | 76.4 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -83.1 | 148.7 | 172.9 | -57.4 | -179.9 | 0 | 0 | 0 | 109.9 | V39 K42 H43 R106 L247 Y248 | V39-L45 HydrophobicContact CG2-CD2 3.82Å; K42-L45 HydrophobicContact CB-CD1 4.45Å; K42-L45 HydrophobicContact CG-CD1 4.34Å; K42-L45 WeakPolarHBondContact O-CB 3.35Å; K42-L45 PolarHBondContact O-N 3.46Å; H43-L45 VanDerWaalsContact C-N 3.3Å; L45-R106 PolarHBondContact O-NE 2.84Å; L45-R106 PolarHBondContact O-NH2 2.77Å; L45-L247 HydrophobicContact CD1-CD1 4.39Å; L45-L247 HydrophobicContact CD1-CG 4.41Å; L45-L247 HydrophobicContact CD2-CD1 4Å; L45-L247 HydrophobicContact CD2-CD2 3.85Å; L45-L247 HydrophobicContact CD2-CG 3.73Å; L45-Y248 HydrophobicContact CB-CE1 4.25Å; L45-Y248 HydrophobicContact CD2-CE2 4.14Å |
| 46 | W | 92.1 | Very high | 79.4 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 128.3 | 167.8 | -68 | 91.9 | 0 | 0 | 0 | 109.4 | D48 G49 E50 V51 D90 L92 R106 Q111 A132 Y248 | W46-D48 PolarHBondContact O-N 2.79Å; W46-G49 PolarHBondContact O-N 3.23Å; W46-E50 WeakPolarHBondContact CB-O 3.33Å; W46-V51 HydrophobicContact CB-CG2 3.96Å; W46-V51 HydrophobicContact CD2-CB 4.32Å; W46-V51 HydrophobicContact CD2-CG1 3.95Å; W46-V51 HydrophobicContact CD2-CG2 3.99Å; W46-V51 HydrophobicContact CE3-CB 4.49Å; W46-V51 HydrophobicContact CE3-CG1 4.2Å; W46-V51 HydrophobicContact CG-CG1 4.48Å; W46-V51 HydrophobicContact CG-CG2 3.69Å; W46-V51 HydrophobicContact CH2-CG1 4.37Å; W46-V51 HydrophobicContact CZ2-CG1 4.11Å; W46-V51 HydrophobicContact CZ3-CG1 4.4Å; W46-D90 HydrophobicContact CZ3-CB 4.21Å; W46-L92 HydrophobicContact CH2-CD2 4.05Å; W46-L92 HydrophobicContact CH2-CG 4.16Å; W46-L92 HydrophobicContact CZ2-CD2 3.53Å; W46-L92 HydrophobicContact CZ2-CG 3.9Å; W46-R106 HydrophobicContact CD2-CB 3.96Å; W46-R106 HydrophobicContact CD2-CG 4.09Å; W46-R106 HydrophobicContact CE3-CB 4.44Å; W46-R106 HydrophobicContact CE3-CG 4.06Å; W46-R106 HydrophobicContact CG-CB 4.23Å; W46-R106 HydrophobicContact CH2-CG 4.14Å; W46-R106 HydrophobicContact CZ2-CB 4.19Å; W46-R106 HydrophobicContact CZ2-CG 4.19Å; W46-R106 HydrophobicContact CZ3-CG 4.07Å; W46-Q111 HydrophobicContact CH2-CG 4.47Å; W46-Q111 HydrophobicContact CZ2-CG 4.33Å; W46-A132 PolarHBondContact NE1-O 3.22Å; W46-Y248 HydrophobicContact CB-CE1 4.16Å; W46-Y248 PolarHBondContact N-OH 2.96Å; W46-Y248 WeakPolarHBondContact O-CE1 3.41Å |
| 47 | E | 91.4 | Very high | 81.5 | Confident | 127 Ų | 127 | 59.1 Ų | 59.1 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -61.9 | 132.2 | -176.2 | -71.3 | 170.2 | -161.3 | 0 | 0 | 109.7 | G49 E50 R106 | E47-G49 PolarHBondContact O-N 2.95Å; E47-E50 PolarHBondContact O-N 2.72Å; E47-R106 IonicContact OE1-CZ 3.69Å; E47-R106 IonicContact OE1-NH1 3.39Å; E47-R106 PolarHBondContact OE1-NH1 3.15Å; E47-R106 IonicContact OE1-NH2 2.67Å; E47-R106 PolarHBondContact OE1-NH2 3.5Å |
| 48 | D | 91.2 | Very high | 83.4 | Confident | 170 Ų | 170 | 64.8 Ų | 64.8 | 91% | 0.909 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | 53.1 | 16.3 | -176.2 | -56.6 | -40.6 | 0 | 0 | 0 | 115.8 | W46 E50 | W46-D48 PolarHBondContact O-N 2.79Å; D48-E50 PolarHBondContact O-N 2.81Å |
| 49 | G | 94.5 | Very high | 85.5 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | 70.8 | 12 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | W46 E47 I80 R81 | W46-G49 PolarHBondContact O-N 3.23Å; E47-G49 PolarHBondContact O-N 2.95Å; G49-I80 WeakPolarHBondContact O-CA 3.17Å; G49-R81 PolarHBondContact O-N 3.18Å |
| 50 | E | 97.1 | Very high | 87.3 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.7 | 174.7 | -168.7 | -176.7 | 162.5 | 0 | 0 | 110.6 | W46 E47 D48 P52 R81 T83 | W46-E50 WeakPolarHBondContact CB-O 3.33Å; E47-E50 PolarHBondContact O-N 2.72Å; D48-E50 PolarHBondContact O-N 2.81Å; E50-P52 WeakPolarHBondContact O-CD 3.28Å; E50-R81 WeakPolarHBondContact CA-O 3.37Å; E50-T83 HydrophobicContact CG-CG2 3.96Å; E50-T83 WeakPolarHBondContact CG-OG1 3.04Å; E50-T83 PolarHBondContact OE1-OG1 2.91Å |
| 51 | V | 98.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 91.2 | -179.3 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | W46 Y53 I80 R81 F82 T83 L92 L133 | W46-V51 HydrophobicContact CB-CG2 3.96Å; W46-V51 HydrophobicContact CD2-CB 4.32Å; W46-V51 HydrophobicContact CD2-CG1 3.95Å; W46-V51 HydrophobicContact CD2-CG2 3.99Å; W46-V51 HydrophobicContact CE3-CB 4.49Å; W46-V51 HydrophobicContact CE3-CG1 4.2Å; W46-V51 HydrophobicContact CG-CG1 4.48Å; W46-V51 HydrophobicContact CG-CG2 3.69Å; W46-V51 HydrophobicContact CH2-CG1 4.37Å; W46-V51 HydrophobicContact CZ2-CG1 4.11Å; W46-V51 HydrophobicContact CZ3-CG1 4.4Å; V51-Y53 PolarHBondContact O-N 2.76Å; V51-I80 HydrophobicContact CG2-CG2 3.98Å; V51-R81 PolarHBondContact N-O 3.11Å; V51-F82 HydrophobicContact CB-CD1 3.72Å; V51-F82 HydrophobicContact CB-CE1 3.85Å; V51-F82 HydrophobicContact CB-CG 4.31Å; V51-F82 HydrophobicContact CG1-CD1 3.76Å; V51-F82 HydrophobicContact CG1-CE1 3.65Å; V51-F82 HydrophobicContact CG2-CE1 4.26Å; V51-F82 WeakPolarHBondContact O-CA 3.49Å; V51-T83 PolarHBondContact O-N 2.81Å; V51-T83 VanDerWaalsContact O-N 3.11Å; V51-L92 HydrophobicContact CG1-CD1 3.39Å; V51-L92 HydrophobicContact CG1-CG 3.67Å; V51-L133 HydrophobicContact CG2-CD2 3.85Å |
| 52 | P | 98.2 | Very high | 90.8 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 135.3 | 173.7 | -22.3 | 33.4 | 0 | 0 | 0 | 110.5 | E50 T83 R85 Q88 Y91 L92 | E50-P52 WeakPolarHBondContact O-CD 3.28Å; P52-T83 CarbonylContact C-O 3.6Å; P52-T83 VanDerWaalsContact CA-O 3.28Å; P52-T83 WeakPolarHBondContact CA-O 3.41Å; P52-R85 HydrophobicContact CB-CB 4.39Å; P52-Q88 HydrophobicContact CB-CB 4.11Å; P52-Q88 HydrophobicContact CB-CG 4.05Å; P52-Q88 HydrophobicContact CG-CB 3.87Å; P52-Q88 HydrophobicContact CG-CG 3.59Å; P52-Y91 CarbonylContact O-C 3.48Å; P52-Y91 VanDerWaalsContact O-CA 3.28Å; P52-Y91 WeakPolarHBondContact O-CA 3.44Å; P52-Y91 WeakPolarHBondContact O-CB 3.34Å; P52-L92 PolarHBondContact O-N 2.96Å |
| 53 | Y | 98.2 | Very high | 91.9 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 9% | 0.086 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.5 | 178.7 | 80.4 | -77.6 | 0 | 0 | 0 | 114.5 | V51 M55 I71 F82 T83 R85 L92 L94 | V51-Y53 PolarHBondContact O-N 2.76Å; Y53-M55 HydrophobicContact CD2-CG 4.16Å; Y53-M55 HydrophobicContact CE2-CE 3.83Å; Y53-M55 HydrophobicContact CE2-CG 3.85Å; Y53-M55 HydrophobicContact CE2-SD 4.3Å; Y53-I71 HydrophobicContact CD2-CD1 4.44Å; Y53-I71 HydrophobicContact CE1-CD1 4.29Å; Y53-I71 HydrophobicContact CE2-CD1 3.92Å; Y53-F82 HydrophobicContact CD1-CB 3.86Å; Y53-F82 HydrophobicContact CE1-CB 3.83Å; Y53-T83 VanDerWaalsContact CD1-O 3.22Å; Y53-T83 WeakPolarHBondContact CD1-O 3.36Å; Y53-T83 PolarHBondContact N-O 2.69Å; Y53-R85 PolarHBondContact O-N 2.91Å; Y53-L92 CarbonylContact C-O 3.46Å; Y53-L92 WeakPolarHBondContact CA-O 3.11Å; Y53-L94 HydrophobicContact CD2-CD1 3.79Å; Y53-L94 HydrophobicContact CD2-CG 4.24Å; Y53-L94 HydrophobicContact CE2-CD1 4.21Å |
| 54 | E | 96.9 | Very high | 93.4 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 38% | 0.379 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.1 | 167.4 | -66.3 | 177.5 | 176.7 | 0 | 0 | 109.8 | R85 Y91 L92 L94 | E54-R85 HydrophobicContact CG-CB 3.8Å; E54-R85 HydrophobicContact CG-CG 4.34Å; E54-R85 WeakPolarHBondContact OE1-CD 3.04Å; E54-R85 IonicContact OE1-NE 2.83Å; E54-R85 PolarHBondContact OE1-NE 2.92Å; E54-Y91 HydrophobicContact CG-CD2 4.28Å; E54-Y91 HydrophobicContact CG-CE2 4.2Å; E54-L92 PolarHBondContact N-O 3.1Å; E54-L94 PolarHBondContact O-N 3.13Å |
| 55 | M | 96.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 65.3 Ų | 65.3 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.7 | 171.8 | -78.1 | -175.7 | -82.2 | 0 | 0 | 110.3 | Y53 F59 R64 I67 Q68 L94 | Y53-M55 HydrophobicContact CD2-CG 4.16Å; Y53-M55 HydrophobicContact CE2-CE 3.83Å; Y53-M55 HydrophobicContact CE2-CG 3.85Å; Y53-M55 HydrophobicContact CE2-SD 4.3Å; M55-F59 HydrophobicContact CB-CD2 4.45Å; M55-R64 PolarHBondContact O-NH2 2.87Å; M55-R64 HydrophobicContact SD-CB 4.16Å; M55-R64 HydrophobicContact SD-CG 4.01Å; M55-I67 HydrophobicContact SD-CB 4.32Å; M55-I67 HydrophobicContact SD-CD1 4.45Å; M55-I67 HydrophobicContact SD-CG2 3.99Å; M55-Q68 HydrophobicContact CE-CG 4.18Å; M55-L94 HydrophobicContact CG-CB 4.22Å; M55-L94 HydrophobicContact CG-CD1 4.01Å |
| 56 | S | 94.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | trans | -45.3 | 133.1 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | M58 F59 R64 L94 N96 | S56-M58 PolarHBondContact O-N 2.66Å; S56-M58 WeakPolarHBondContact OG-CB 3.43Å; S56-M58 PolarHBondContact OG-N 2.93Å; S56-F59 PolarHBondContact O-N 3.36Å; S56-F59 VanDerWaalsContact O-N 3.12Å; S56-R64 PolarHBondContact O-NH2 3.38Å; S56-L94 WeakPolarHBondContact CB-O 3.48Å; S56-L94 PolarHBondContact N-O 3.3Å; S56-N96 PolarHBondContact OG-OD1 3.2Å | ||
| 57 | P | 93.5 | Very high | 95.1 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 75% | 0.753 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.7 | 177 | 27 | -34.9 | 0 | 0 | 0 | 112.5 | F59 | P57-F59 VanDerWaalsContact C-N 3.25Å; P57-F59 PolarHBondContact O-N 3.03Å |
| 58 | M | 92 | Very high | 95.4 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.4 | 178.1 | -61.1 | -60.3 | -64.8 | 0 | 0 | 113.9 | S56 H60 N96 | S56-M58 PolarHBondContact O-N 2.66Å; S56-M58 WeakPolarHBondContact OG-CB 3.43Å; S56-M58 PolarHBondContact OG-N 2.93Å; M58-H60 PolarHBondContact O-N 2.79Å; M58-N96 WeakPolarHBondContact CB-ND2 3.36Å; M58-N96 VanDerWaalsContact CB-OD1 3.27Å; M58-N96 WeakPolarHBondContact CB-OD1 3.37Å |
| 59 | F | 94.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -72.7 | 126.8 | 174.8 | -72.4 | -57.9 | 0 | 0 | 0 | 111.6 | M55 S56 P57 E63 R64 I67 L94 S95 N96 L115 L120 | M55-F59 HydrophobicContact CB-CD2 4.45Å; S56-F59 PolarHBondContact O-N 3.36Å; S56-F59 VanDerWaalsContact O-N 3.12Å; P57-F59 VanDerWaalsContact C-N 3.25Å; P57-F59 PolarHBondContact O-N 3.03Å; F59-E63 WeakPolarHBondContact CA-OE2 3.18Å; F59-E63 HydrophobicContact CB-CB 4.31Å; F59-E63 HydrophobicContact CD1-CB 4.01Å; F59-R64 HydrophobicContact CB-CG 3.8Å; F59-R64 PolarHBondContact O-NE 3.44Å; F59-R64 VanDerWaalsContact O-NE 3.08Å; F59-I67 HydrophobicContact CD1-CD1 4.14Å; F59-I67 HydrophobicContact CD2-CD1 3.87Å; F59-I67 HydrophobicContact CE1-CD1 3.99Å; F59-I67 HydrophobicContact CE2-CD1 3.68Å; F59-I67 HydrophobicContact CG-CD1 4.09Å; F59-I67 HydrophobicContact CZ-CD1 3.76Å; F59-L94 HydrophobicContact CE2-CB 4.29Å; F59-L94 WeakPolarHBondContact CE2-O 3.23Å; F59-S95 VanDerWaalsContact CZ-C 3.48Å; F59-S95 WeakPolarHBondContact CZ-O 3.48Å; F59-N96 HydrophobicContact CD1-CB 4.3Å; F59-N96 HydrophobicContact CE1-CB 3.72Å; F59-N96 HydrophobicContact CZ-CB 3.96Å; F59-L115 HydrophobicContact CZ-CB 4.07Å; F59-L120 HydrophobicContact CE1-CD1 4.44Å; F59-L120 HydrophobicContact CE1-CD2 4.06Å |
| 60 | H | 93.7 | Very high | 95.8 | Very high | 135 Ų | 135 | 57 Ų | 57 | 63% | 0.625 | 29% | 0.286 | S | S | * | . | trans | -68.7 | 161.3 | 172.1 | -60.5 | -62.1 | 0 | 0 | 0 | 111.7 | M58 Q62 E63 R64 | M58-H60 PolarHBondContact O-N 2.79Å; H60-Q62 VanDerWaalsContact C-N 3.27Å; H60-Q62 PolarHBondContact O-N 3.14Å; H60-E63 HydrophobicContact CB-CG 4.23Å; H60-E63 IonicContact CD2-OE2 2.87Å; H60-E63 PolarHBondContact CD2-OE2 2.91Å; H60-E63 IonicContact CG-OE2 2.69Å; H60-E63 PolarHBondContact N-OE2 3.02Å; H60-E63 WeakPolarHBondContact O-CB 3.42Å; H60-E63 PolarHBondContact O-N 2.04Å; H60-R64 WeakPolarHBondContact O-CG 3.5Å; H60-R64 PolarHBondContact O-N 3.03Å | ||
| 61 | A | 95.3 | Very high | 95.8 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 61% | 0.612 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -54.1 | -40.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R64 Q65 | A61-R64 PolarHBondContact O-N 3.46Å; A61-Q65 WeakPolarHBondContact O-CG 3.35Å; A61-Q65 PolarHBondContact O-N 3.25Å; A61-Q65 VanDerWaalsContact O-N 3.1Å |
| 62 | Q | 93 | Very high | 95.8 | Very high | 129 Ų | 129 | 58.5 Ų | 58.5 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.7 | -38.4 | 178.2 | -66.4 | 170.6 | 2.4 | 0 | 0 | 112.2 | H60 Q65 L66 | H60-Q62 VanDerWaalsContact C-N 3.27Å; H60-Q62 PolarHBondContact O-N 3.14Å; Q62-Q65 WeakPolarHBondContact O-CB 2.92Å; Q62-Q65 PolarHBondContact O-N 2.86Å; Q62-L66 PolarHBondContact O-N 3.2Å |
| 63 | E | 94.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 178.7 | -56.5 | 178.4 | 135.9 | 0 | 0 | 110.4 | F59 H60 Q65 L66 I67 L120 | F59-E63 WeakPolarHBondContact CA-OE2 3.18Å; F59-E63 HydrophobicContact CB-CB 4.31Å; F59-E63 HydrophobicContact CD1-CB 4.01Å; H60-E63 HydrophobicContact CB-CG 4.23Å; H60-E63 IonicContact CD2-OE2 2.87Å; H60-E63 PolarHBondContact CD2-OE2 2.91Å; H60-E63 IonicContact CG-OE2 2.69Å; H60-E63 PolarHBondContact N-OE2 3.02Å; H60-E63 WeakPolarHBondContact O-CB 3.42Å; H60-E63 PolarHBondContact O-N 2.04Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 2.87Å; E63-L66 WeakPolarHBondContact O-CB 3.12Å; E63-L66 PolarHBondContact O-N 3.2Å; E63-L66 VanDerWaalsContact O-N 3.15Å; E63-I67 WeakPolarHBondContact O-CG1 3.35Å; E63-I67 PolarHBondContact O-N 2.97Å; E63-L120 HydrophobicContact CB-CD1 3.72Å; E63-L120 HydrophobicContact CG-CD1 3.53Å; E63-L120 VanDerWaalsContact OE1-CD1 3.29Å; E63-L120 WeakPolarHBondContact OE1-CD1 3.43Å |
| 64 | R | 96.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 28% | 0.279 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 171.9 | -68.1 | 174.7 | 172.5 | -94.9 | -7.4 | 112 | M55 S56 F59 H60 A61 I67 Q68 | M55-R64 PolarHBondContact O-NH2 2.87Å; M55-R64 HydrophobicContact SD-CB 4.16Å; M55-R64 HydrophobicContact SD-CG 4.01Å; S56-R64 PolarHBondContact O-NH2 3.38Å; F59-R64 HydrophobicContact CB-CG 3.8Å; F59-R64 PolarHBondContact O-NE 3.44Å; F59-R64 VanDerWaalsContact O-NE 3.08Å; H60-R64 WeakPolarHBondContact O-CG 3.5Å; H60-R64 PolarHBondContact O-N 3.03Å; A61-R64 PolarHBondContact O-N 3.46Å; R64-I67 PolarHBondContact O-N 3.38Å; R64-Q68 WeakPolarHBondContact O-CB 3.44Å; R64-Q68 VanDerWaalsContact O-CG 3.24Å; R64-Q68 WeakPolarHBondContact O-CG 3.37Å; R64-Q68 PolarHBondContact O-N 2.84Å |
| 65 | Q | 95.9 | Very high | 95.7 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 175.8 | -73.7 | 178.4 | -8.8 | 0 | 0 | 112.9 | A61 Q62 E63 R69 | A61-Q65 WeakPolarHBondContact O-CG 3.35Å; A61-Q65 PolarHBondContact O-N 3.25Å; A61-Q65 VanDerWaalsContact O-N 3.1Å; Q62-Q65 WeakPolarHBondContact O-CB 2.92Å; Q62-Q65 PolarHBondContact O-N 2.86Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 2.87Å; Q65-R69 WeakPolarHBondContact O-CB 3.35Å; Q65-R69 WeakPolarHBondContact O-CG 3.27Å; Q65-R69 PolarHBondContact O-N 3.14Å |
| 66 | L | 95.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 174.3 | -75.7 | 166 | 0 | 0 | 0 | 111.3 | Q62 E63 Q68 R69 A70 I125 F296 | Q62-L66 PolarHBondContact O-N 3.2Å; E63-L66 WeakPolarHBondContact O-CB 3.12Å; E63-L66 PolarHBondContact O-N 3.2Å; E63-L66 VanDerWaalsContact O-N 3.15Å; L66-Q68 PolarHBondContact O-N 3.29Å; L66-R69 PolarHBondContact O-N 3.13Å; L66-A70 PolarHBondContact O-N 3.1Å; L66-I125 HydrophobicContact CB-CD1 4.5Å; L66-F296 HydrophobicContact CD1-CE1 4.29Å; L66-F296 HydrophobicContact CD1-CZ 3.79Å; L66-F296 HydrophobicContact CD2-CE2 4.04Å; L66-F296 HydrophobicContact CD2-CZ 3.76Å; L66-F296 HydrophobicContact CG-CZ 4.46Å |
| 67 | I | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 176.2 | -66.9 | 168.9 | 0 | 0 | 0 | 110.8 | M55 F59 E63 R64 R69 A70 I71 L94 L115 L120 I125 | M55-I67 HydrophobicContact SD-CB 4.32Å; M55-I67 HydrophobicContact SD-CD1 4.45Å; M55-I67 HydrophobicContact SD-CG2 3.99Å; F59-I67 HydrophobicContact CD1-CD1 4.14Å; F59-I67 HydrophobicContact CD2-CD1 3.87Å; F59-I67 HydrophobicContact CE1-CD1 3.99Å; F59-I67 HydrophobicContact CE2-CD1 3.68Å; F59-I67 HydrophobicContact CG-CD1 4.09Å; F59-I67 HydrophobicContact CZ-CD1 3.76Å; E63-I67 WeakPolarHBondContact O-CG1 3.35Å; E63-I67 PolarHBondContact O-N 2.97Å; R64-I67 PolarHBondContact O-N 3.38Å; I67-R69 VanDerWaalsContact C-N 3.31Å; I67-R69 PolarHBondContact O-N 3.12Å; I67-A70 WeakPolarHBondContact O-CB 3.34Å; I67-A70 PolarHBondContact O-N 3.25Å; I67-I71 HydrophobicContact CG2-CD1 4.02Å; I67-I71 WeakPolarHBondContact O-CG1 3.05Å; I67-I71 PolarHBondContact O-N 3.27Å; I67-L94 HydrophobicContact CG2-CD1 3.39Å; I67-L115 HydrophobicContact CD1-CD1 3.99Å; I67-L115 HydrophobicContact CG1-CD1 3.93Å; I67-L120 HydrophobicContact CD1-CD2 4.06Å; I67-L120 HydrophobicContact CG1-CD2 3.98Å; I67-I125 HydrophobicContact CG1-CD1 4.18Å |
| 68 | Q | 97.2 | Very high | 95.9 | Very high | 70 Ų | 70 | 59 Ų | 59 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 177.9 | -74.2 | 173.2 | -18.6 | 0 | 0 | 113 | M55 R64 L66 R72 | M55-Q68 HydrophobicContact CE-CG 4.18Å; R64-Q68 WeakPolarHBondContact O-CB 3.44Å; R64-Q68 VanDerWaalsContact O-CG 3.24Å; R64-Q68 WeakPolarHBondContact O-CG 3.37Å; R64-Q68 PolarHBondContact O-N 2.84Å; L66-Q68 PolarHBondContact O-N 3.29Å; Q68-R72 WeakPolarHBondContact O-CG 3.21Å; Q68-R72 PolarHBondContact O-N 2.79Å |
| 69 | R | 96.4 | Very high | 96.2 | Very high | 72 Ų | 72 | 55 Ų | 55 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 173.8 | -78.9 | -174 | -72.7 | -175 | 1 | 112.3 | Q65 L66 I67 R72 T73 | Q65-R69 WeakPolarHBondContact O-CB 3.35Å; Q65-R69 WeakPolarHBondContact O-CG 3.27Å; Q65-R69 PolarHBondContact O-N 3.14Å; L66-R69 PolarHBondContact O-N 3.13Å; I67-R69 VanDerWaalsContact C-N 3.31Å; I67-R69 PolarHBondContact O-N 3.12Å; R69-R72 VanDerWaalsContact CG-NH2 3.28Å; R69-R72 PolarHBondContact O-N 2.94Å; R69-T73 PolarHBondContact O-N 3.16Å; R69-T73 PolarHBondContact O-OG1 3.43Å |
| 70 | A | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L66 I67 R72 T73 R122 I125 V126 | L66-A70 PolarHBondContact O-N 3.1Å; I67-A70 WeakPolarHBondContact O-CB 3.34Å; I67-A70 PolarHBondContact O-N 3.25Å; A70-R72 PolarHBondContact O-N 3.35Å; A70-T73 VanDerWaalsContact O-CB 3.28Å; A70-T73 WeakPolarHBondContact O-CB 3.24Å; A70-T73 PolarHBondContact O-N 2.97Å; A70-T73 VanDerWaalsContact O-N 3.13Å; A70-R122 HydrophobicContact CB-CG 4.28Å; A70-I125 HydrophobicContact CB-CB 3.63Å; A70-I125 HydrophobicContact CB-CD1 4.23Å; A70-I125 HydrophobicContact CB-CG2 3.42Å; A70-I125 VanDerWaalsContact CB-CG2 3.42Å; A70-V126 HydrophobicContact CB-CG2 3.98Å |
| 71 | I | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54 | -52.3 | 172.4 | -76.5 | 171.1 | 0 | 0 | 0 | 110.7 | Y53 I67 T73 I74 E75 F82 L94 L129 | Y53-I71 HydrophobicContact CD2-CD1 4.44Å; Y53-I71 HydrophobicContact CE1-CD1 4.29Å; Y53-I71 HydrophobicContact CE2-CD1 3.92Å; I67-I71 HydrophobicContact CG2-CD1 4.02Å; I67-I71 WeakPolarHBondContact O-CG1 3.05Å; I67-I71 PolarHBondContact O-N 3.27Å; I71-T73 PolarHBondContact O-N 2.87Å; I71-T73 VanDerWaalsContact O-N 3.14Å; I71-I74 PolarHBondContact O-N 2.85Å; I71-E75 HydrophobicContact CG2-CG 4.15Å; I71-E75 WeakPolarHBondContact O-CG 3.43Å; I71-E75 PolarHBondContact O-N 2.53Å; I71-E75 VanDerWaalsContact O-N 3.11Å; I71-F82 HydrophobicContact CB-CD2 4.45Å; I71-F82 HydrophobicContact CD1-CB 4.39Å; I71-F82 HydrophobicContact CD1-CG 4.49Å; I71-F82 HydrophobicContact CG1-CD1 4.47Å; I71-F82 HydrophobicContact CG1-CD2 4.44Å; I71-F82 HydrophobicContact CG1-CG 4.23Å; I71-F82 HydrophobicContact CG2-CB 3.59Å; I71-F82 HydrophobicContact CG2-CD2 3.68Å; I71-F82 HydrophobicContact CG2-CG 3.79Å; I71-L94 HydrophobicContact CD1-CD1 4.26Å; I71-L129 HydrophobicContact CG1-CD1 3.93Å |
| 72 | R | 97.2 | Very high | 96.7 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 42% | 0.415 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56 | -34.2 | 178.8 | -79.9 | -170.1 | -72 | -101.3 | 2.6 | 113.3 | Q68 R69 A70 I74 E75 E76 | Q68-R72 WeakPolarHBondContact O-CG 3.21Å; Q68-R72 PolarHBondContact O-N 2.79Å; R69-R72 VanDerWaalsContact CG-NH2 3.28Å; R69-R72 PolarHBondContact O-N 2.94Å; A70-R72 PolarHBondContact O-N 3.35Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 2.83Å; R72-E75 PolarHBondContact O-N 2.71Å; R72-E76 WeakPolarHBondContact O-CB 3.44Å; R72-E76 VanDerWaalsContact O-CG 3.25Å; R72-E76 WeakPolarHBondContact O-CG 3.45Å; R72-E76 PolarHBondContact O-N 2.91Å |
| 73 | T | 96.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 177.6 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | R69 A70 I71 N77 V126 | R69-T73 PolarHBondContact O-N 3.16Å; R69-T73 PolarHBondContact O-OG1 3.43Å; A70-T73 VanDerWaalsContact O-CB 3.28Å; A70-T73 WeakPolarHBondContact O-CB 3.24Å; A70-T73 PolarHBondContact O-N 2.97Å; A70-T73 VanDerWaalsContact O-N 3.13Å; I71-T73 PolarHBondContact O-N 2.87Å; I71-T73 VanDerWaalsContact O-N 3.14Å; T73-N77 PolarHBondContact O-ND2 3.13Å; T73-V126 HydrophobicContact CG2-CG2 4.48Å |
| 74 | I | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.9 | -44 | 176.8 | -63.4 | 175.8 | 0 | 0 | 0 | 110.5 | I71 R72 E76 N77 S78 I80 F82 V126 L129 L133 M236 L244 | I71-I74 PolarHBondContact O-N 2.85Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 2.83Å; I74-E76 PolarHBondContact O-N 2.93Å; I74-N77 PolarHBondContact O-N 3.36Å; I74-S78 WeakPolarHBondContact O-CB 3.24Å; I74-S78 PolarHBondContact O-N 2.84Å; I74-S78 VanDerWaalsContact O-N 3.09Å; I74-S78 PolarHBondContact O-OG 3.19Å; I74-I80 HydrophobicContact CG2-CB 4.08Å; I74-I80 HydrophobicContact CG2-CG1 4.41Å; I74-I80 HydrophobicContact CG2-CG2 4.19Å; I74-F82 HydrophobicContact CB-CE2 4.2Å; I74-F82 HydrophobicContact CD1-CE2 4.28Å; I74-F82 HydrophobicContact CD1-CZ 4.33Å; I74-F82 HydrophobicContact CG2-CE2 4Å; I74-V126 HydrophobicContact CD1-CG1 4.39Å; I74-V126 HydrophobicContact CG1-CG1 4.28Å; I74-L129 HydrophobicContact CD1-CB 3.53Å; I74-L129 HydrophobicContact CD1-CD1 3.91Å; I74-L129 HydrophobicContact CD1-CG 4.37Å; I74-L133 HydrophobicContact CD1-CD1 4.12Å; I74-L133 HydrophobicContact CG2-CD1 3.86Å; I74-M236 HydrophobicContact CG1-SD 4.15Å; I74-L244 HydrophobicContact CG2-CD2 3.81Å |
| 75 | E | 97.6 | Very high | 97.1 | Very high | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -36.9 | -178 | -61.4 | -178.3 | 136.6 | 0 | 0 | 112.9 | I71 R72 N77 I80 R81 F82 | I71-E75 HydrophobicContact CG2-CG 4.15Å; I71-E75 WeakPolarHBondContact O-CG 3.43Å; I71-E75 PolarHBondContact O-N 2.53Å; I71-E75 VanDerWaalsContact O-N 3.11Å; R72-E75 PolarHBondContact O-N 2.71Å; E75-N77 VanDerWaalsContact C-N 3.29Å; E75-N77 PolarHBondContact O-N 3.1Å; E75-I80 WeakPolarHBondContact CG-O 3.21Å; E75-R81 PolarHBondContact O-NH1 3.48Å; E75-F82 HydrophobicContact CG-CD2 4.04Å; E75-F82 PolarHBondContact OE1-N 3.15Å |
| 76 | E | 96.4 | Very high | 97 | Very high | 145 Ų | 145 | 49.4 Ų | 49.4 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.5 | -26 | 177.5 | -74 | 169.8 | -177.3 | 0 | 0 | 112.6 | R72 I74 | R72-E76 WeakPolarHBondContact O-CB 3.44Å; R72-E76 VanDerWaalsContact O-CG 3.25Å; R72-E76 WeakPolarHBondContact O-CG 3.45Å; R72-E76 PolarHBondContact O-N 2.91Å; I74-E76 PolarHBondContact O-N 2.93Å |
| 77 | N | 96.6 | Very high | 97 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 4.8 | -177.3 | -71.7 | -82.5 | 0 | 0 | 0 | 113.1 | T73 I74 E75 V241 N245 | T73-N77 PolarHBondContact O-ND2 3.13Å; I74-N77 PolarHBondContact O-N 3.36Å; E75-N77 VanDerWaalsContact C-N 3.29Å; E75-N77 PolarHBondContact O-N 3.1Å; N77-V241 HydrophobicContact CB-CG1 4.12Å; N77-V241 HydrophobicContact CB-CG2 4.03Å; N77-V241 WeakPolarHBondContact O-CG1 3.36Å; N77-N245 PolarHBondContact O-ND2 3.39Å |
| 78 | S | 97 | Very high | 96.9 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -156.8 | 179.4 | -178.2 | 72.7 | 0 | 0 | 0 | 0 | 114 | I74 I80 R81 N245 | I74-S78 WeakPolarHBondContact O-CB 3.24Å; I74-S78 PolarHBondContact O-N 2.84Å; I74-S78 VanDerWaalsContact O-N 3.09Å; I74-S78 PolarHBondContact O-OG 3.19Å; S78-I80 VanDerWaalsContact C-N 3.32Å; S78-I80 WeakPolarHBondContact OG-CB 3.49Å; S78-I80 WeakPolarHBondContact OG-CG1 3.35Å; S78-I80 PolarHBondContact OG-N 3.21Å; S78-I80 VanDerWaalsContact OG-N 3.17Å; S78-R81 PolarHBondContact O-NH1 3.48Å; S78-N245 VanDerWaalsContact CA-OD1 3.25Å; S78-N245 WeakPolarHBondContact CA-OD1 3.47Å; S78-N245 WeakPolarHBondContact CB-OD1 3.12Å |
| 79 | C | 97 | Very high | 96.6 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -83.6 | -3.7 | 169.5 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | C250 | C79-C250 HydrophobicContact CB-CB 3.57Å; C79-C250 WeakPolarHBondContact CB-SG 3.42Å; C79-C250 PolarHBondContact N-SG 2.85Å; C79-C250 WeakPolarHBondContact SG-CA 3.35Å; C79-C250 WeakPolarHBondContact SG-CB 3.37Å; C79-C250 CovalentContact SG-SG 2.04Å; C79-C250 PolarHBondContact SG-SG 2.75Å |
| 80 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -64 | 136.5 | 178.8 | -60.6 | -56.4 | 0 | 0 | 0 | 110.3 | G49 V51 I74 E75 S78 F82 L133 L244 Y248 | G49-I80 WeakPolarHBondContact O-CA 3.17Å; V51-I80 HydrophobicContact CG2-CG2 3.98Å; I74-I80 HydrophobicContact CG2-CB 4.08Å; I74-I80 HydrophobicContact CG2-CG1 4.41Å; I74-I80 HydrophobicContact CG2-CG2 4.19Å; E75-I80 WeakPolarHBondContact CG-O 3.21Å; S78-I80 VanDerWaalsContact C-N 3.32Å; S78-I80 WeakPolarHBondContact OG-CB 3.49Å; S78-I80 WeakPolarHBondContact OG-CG1 3.35Å; S78-I80 PolarHBondContact OG-N 3.21Å; S78-I80 VanDerWaalsContact OG-N 3.17Å; I80-F82 HydrophobicContact CG2-CD2 3.97Å; I80-F82 HydrophobicContact CG2-CE2 3.54Å; I80-F82 HydrophobicContact CG2-CZ 4.12Å; I80-L133 HydrophobicContact CD1-CD2 3.96Å; I80-L133 HydrophobicContact CG1-CD1 4.36Å; I80-L133 HydrophobicContact CG1-CD2 4.1Å; I80-L133 HydrophobicContact CG2-CD1 4.38Å; I80-L133 HydrophobicContact CG2-CD2 3.84Å; I80-L244 HydrophobicContact CD1-CD1 4.48Å; I80-L244 HydrophobicContact CG1-CD1 3.98Å; I80-L244 HydrophobicContact CG1-CD2 4.38Å; I80-L244 HydrophobicContact CG1-CG 4.4Å; I80-Y248 HydrophobicContact CD1-CD1 3.39Å; I80-Y248 HydrophobicContact CD1-CD2 3.7Å; I80-Y248 HydrophobicContact CD1-CE1 3.52Å; I80-Y248 HydrophobicContact CD1-CE2 3.83Å; I80-Y248 HydrophobicContact CD1-CG 3.45Å; I80-Y248 VanDerWaalsContact CD1-CG 3.45Å | ||
| 81 | R | 98 | Very high | 96.2 | Very high | 117 Ų | 117 | 53.9 Ų | 53.9 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123.2 | 176.3 | -63.5 | -63.3 | 174.6 | -101.4 | 5.2 | 110.5 | G49 E50 V51 E75 S78 | G49-R81 PolarHBondContact O-N 3.18Å; E50-R81 WeakPolarHBondContact CA-O 3.37Å; V51-R81 PolarHBondContact N-O 3.11Å; E75-R81 PolarHBondContact O-NH1 3.48Å; S78-R81 PolarHBondContact O-NH1 3.48Å |
| 82 | F | 98.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.9 | 175.2 | -70.9 | -93.6 | 0 | 0 | 0 | 109.1 | V51 Y53 I71 I74 E75 I80 L92 L129 L133 | V51-F82 HydrophobicContact CB-CD1 3.72Å; V51-F82 HydrophobicContact CB-CE1 3.85Å; V51-F82 HydrophobicContact CB-CG 4.31Å; V51-F82 HydrophobicContact CG1-CD1 3.76Å; V51-F82 HydrophobicContact CG1-CE1 3.65Å; V51-F82 HydrophobicContact CG2-CE1 4.26Å; V51-F82 WeakPolarHBondContact O-CA 3.49Å; Y53-F82 HydrophobicContact CD1-CB 3.86Å; Y53-F82 HydrophobicContact CE1-CB 3.83Å; I71-F82 HydrophobicContact CB-CD2 4.45Å; I71-F82 HydrophobicContact CD1-CB 4.39Å; I71-F82 HydrophobicContact CD1-CG 4.49Å; I71-F82 HydrophobicContact CG1-CD1 4.47Å; I71-F82 HydrophobicContact CG1-CD2 4.44Å; I71-F82 HydrophobicContact CG1-CG 4.23Å; I71-F82 HydrophobicContact CG2-CB 3.59Å; I71-F82 HydrophobicContact CG2-CD2 3.68Å; I71-F82 HydrophobicContact CG2-CG 3.79Å; I74-F82 HydrophobicContact CB-CE2 4.2Å; I74-F82 HydrophobicContact CD1-CE2 4.28Å; I74-F82 HydrophobicContact CD1-CZ 4.33Å; I74-F82 HydrophobicContact CG2-CE2 4Å; E75-F82 HydrophobicContact CG-CD2 4.04Å; E75-F82 PolarHBondContact OE1-N 3.15Å; I80-F82 HydrophobicContact CG2-CD2 3.97Å; I80-F82 HydrophobicContact CG2-CE2 3.54Å; I80-F82 HydrophobicContact CG2-CZ 4.12Å; F82-L92 HydrophobicContact CD1-CD1 4.46Å; F82-L92 HydrophobicContact CE1-CD1 3.94Å; F82-L129 HydrophobicContact CE1-CD2 3.69Å; F82-L129 HydrophobicContact CZ-CB 4.4Å; F82-L129 HydrophobicContact CZ-CD1 4.47Å; F82-L129 HydrophobicContact CZ-CD2 3.98Å; F82-L133 HydrophobicContact CZ-CD1 4.31Å |
| 83 | T | 97.3 | Very high | 96.1 | Very high | 37 Ų | 37 | 49 Ų | 49 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.8 | -175.7 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | E50 V51 P52 Y53 R85 | E50-T83 HydrophobicContact CG-CG2 3.96Å; E50-T83 WeakPolarHBondContact CG-OG1 3.04Å; E50-T83 PolarHBondContact OE1-OG1 2.91Å; V51-T83 PolarHBondContact O-N 2.81Å; V51-T83 VanDerWaalsContact O-N 3.11Å; P52-T83 CarbonylContact C-O 3.6Å; P52-T83 VanDerWaalsContact CA-O 3.28Å; P52-T83 WeakPolarHBondContact CA-O 3.41Å; Y53-T83 VanDerWaalsContact CD1-O 3.22Å; Y53-T83 WeakPolarHBondContact CD1-O 3.36Å; Y53-T83 PolarHBondContact N-O 2.69Å; T83-R85 PolarHBondContact O-N 3.49Å |
| 84 | P | 97.5 | Very high | 96.1 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 128.3 | 169 | -23.9 | 34.3 | 0 | 0 | 0 | 109.6 | ||
| 85 | R | 97 | Very high | 95.8 | Very high | 61 Ų | 61 | 48.1 Ų | 48.1 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | trans | -62.9 | 137.4 | 179.6 | 173 | 174.2 | 163.7 | 94.7 | 11.5 | 111.3 | P52 Y53 E54 T83 Q88 Y91 | P52-R85 HydrophobicContact CB-CB 4.39Å; Y53-R85 PolarHBondContact O-N 2.91Å; E54-R85 HydrophobicContact CG-CB 3.8Å; E54-R85 HydrophobicContact CG-CG 4.34Å; E54-R85 WeakPolarHBondContact OE1-CD 3.04Å; E54-R85 IonicContact OE1-NE 2.83Å; E54-R85 PolarHBondContact OE1-NE 2.92Å; T83-R85 PolarHBondContact O-N 3.49Å; R85-Q88 PolarHBondContact NH1-O 3.1Å; R85-Q88 PolarHBondContact NH2-O 2.65Å; R85-Y91 VanDerWaalsContact CD-CE2 3.4Å; R85-Y91 VanDerWaalsContact CD-CG 3.4Å; R85-Y91 HydrophobicContact CG-CD2 4.47Å; R85-Y91 VanDerWaalsContact CZ-CD1 3.43Å; R85-Y91 VanDerWaalsContact CZ-CZ 3.48Å | ||
| 86 | T | 95.4 | Very high | 95.4 | Very high | 130 Ų | 130 | 49.2 Ų | 49.2 | 80% | 0.798 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -126.1 | -12.1 | 176.9 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 87 | G | 93.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 161.6 | 4.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 88 | Q | 96.3 | Very high | 93.9 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | trans | -53.9 | 157.7 | 178.3 | -63.5 | 89.5 | -22 | 0 | 0 | 111 | P52 R85 | P52-Q88 HydrophobicContact CB-CB 4.11Å; P52-Q88 HydrophobicContact CB-CG 4.05Å; P52-Q88 HydrophobicContact CG-CB 3.87Å; P52-Q88 HydrophobicContact CG-CG 3.59Å; R85-Q88 PolarHBondContact NH1-O 3.1Å; R85-Q88 PolarHBondContact NH2-O 2.65Å | ||
| 89 | A | 90.9 | Very high | 93 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -79.2 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G109 | A89-G109 CarbonylContact O-C 3.59Å; A89-G109 WeakPolarHBondContact O-CA 3.46Å |
| 90 | D | 89.8 | Confident | 92.6 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -101.2 | 130.4 | -174 | -58.3 | -7.7 | 0 | 0 | 0 | 109.9 | W46 R106 K108 G109 | W46-D90 HydrophobicContact CZ3-CB 4.21Å; D90-R106 HydrophobicContact CB-CG 4.28Å; D90-R106 IonicContact OD2-CZ 3.51Å; D90-R106 IonicContact OD2-NH1 3.37Å; D90-R106 PolarHBondContact OD2-NH1 3.15Å; D90-K108 WeakPolarHBondContact OD1-CA 3.26Å; D90-G109 WeakPolarHBondContact CA-O 3.33Å; D90-G109 PolarHBondContact OD1-N 3.08Å |
| 91 | Y | 94.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 157.2 | -174.3 | 70.7 | -66.5 | 0 | 0 | 0 | 113.5 | P52 E54 R85 V93 G109 R110 Q111 | P52-Y91 CarbonylContact O-C 3.48Å; P52-Y91 VanDerWaalsContact O-CA 3.28Å; P52-Y91 WeakPolarHBondContact O-CA 3.44Å; P52-Y91 WeakPolarHBondContact O-CB 3.34Å; E54-Y91 HydrophobicContact CG-CD2 4.28Å; E54-Y91 HydrophobicContact CG-CE2 4.2Å; R85-Y91 VanDerWaalsContact CD-CE2 3.4Å; R85-Y91 VanDerWaalsContact CD-CG 3.4Å; R85-Y91 HydrophobicContact CG-CD2 4.47Å; R85-Y91 VanDerWaalsContact CZ-CD1 3.43Å; R85-Y91 VanDerWaalsContact CZ-CZ 3.48Å; Y91-V93 HydrophobicContact CD2-CG2 3.79Å; Y91-V93 HydrophobicContact CE2-CG2 3.33Å; Y91-G109 PolarHBondContact N-O 3.15Å; Y91-R110 HydrophobicContact CD1-CB 4.17Å; Y91-R110 HydrophobicContact CE1-CB 3.41Å; Y91-R110 VanDerWaalsContact CE1-CB 3.41Å; Y91-R110 HydrophobicContact CE1-CG 3.89Å; Y91-R110 HydrophobicContact CE2-CG 4.15Å; Y91-Q111 WeakPolarHBondContact O-CG 3.48Å; Y91-Q111 PolarHBondContact O-N 3.42Å |
| 92 | L | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 140.5 | 170.6 | -59.5 | -175.7 | 0 | 0 | 0 | 112 | W46 V51 P52 Y53 E54 F82 Q111 I113 L129 A132 | W46-L92 HydrophobicContact CH2-CD2 4.05Å; W46-L92 HydrophobicContact CH2-CG 4.16Å; W46-L92 HydrophobicContact CZ2-CD2 3.53Å; W46-L92 HydrophobicContact CZ2-CG 3.9Å; V51-L92 HydrophobicContact CG1-CD1 3.39Å; V51-L92 HydrophobicContact CG1-CG 3.67Å; P52-L92 PolarHBondContact O-N 2.96Å; Y53-L92 CarbonylContact C-O 3.46Å; Y53-L92 WeakPolarHBondContact CA-O 3.11Å; E54-L92 PolarHBondContact N-O 3.1Å; F82-L92 HydrophobicContact CD1-CD1 4.46Å; F82-L92 HydrophobicContact CE1-CD1 3.94Å; L92-Q111 CarbonylContact C-O 3.53Å; L92-Q111 WeakPolarHBondContact CA-O 3.02Å; L92-Q111 VanDerWaalsContact CD2-CD 3.5Å; L92-Q111 HydrophobicContact CD2-CG 3.33Å; L92-I113 HydrophobicContact CD1-CD1 3.77Å; L92-I113 HydrophobicContact CD2-CD1 4.17Å; L92-I113 HydrophobicContact CD2-CG1 4.3Å; L92-I113 HydrophobicContact CG-CD1 4.48Å; L92-L129 HydrophobicContact CD1-CD2 4.28Å; L92-A132 HydrophobicContact CD1-CB 4.2Å; L92-A132 HydrophobicContact CD2-CB 3.98Å |
| 93 | V | 95.8 | Very high | 90.3 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 108.2 | 162 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | Y91 S95 R110 Q111 V112 I113 | Y91-V93 HydrophobicContact CD2-CG2 3.79Å; Y91-V93 HydrophobicContact CE2-CG2 3.33Å; V93-S95 PolarHBondContact O-N 2.95Å; V93-R110 HydrophobicContact CG2-CG 3.71Å; V93-Q111 PolarHBondContact N-O 3.45Å; V93-V112 HydrophobicContact CB-CG2 4.48Å; V93-V112 WeakPolarHBondContact O-CA 3.14Å; V93-I113 PolarHBondContact O-N 3.45Å |
| 94 | L | 97.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 114.7 | 171.7 | -51.7 | -175.9 | 0 | 0 | 0 | 107.4 | Y53 E54 M55 S56 F59 I67 I71 I113 L129 | Y53-L94 HydrophobicContact CD2-CD1 3.79Å; Y53-L94 HydrophobicContact CD2-CG 4.24Å; Y53-L94 HydrophobicContact CE2-CD1 4.21Å; E54-L94 PolarHBondContact O-N 3.13Å; M55-L94 HydrophobicContact CG-CB 4.22Å; M55-L94 HydrophobicContact CG-CD1 4.01Å; S56-L94 WeakPolarHBondContact CB-O 3.48Å; S56-L94 PolarHBondContact N-O 3.3Å; F59-L94 HydrophobicContact CE2-CB 4.29Å; F59-L94 WeakPolarHBondContact CE2-O 3.23Å; I67-L94 HydrophobicContact CG2-CD1 3.39Å; I71-L94 HydrophobicContact CD1-CD1 4.26Å; L94-I113 HydrophobicContact CD2-CB 3.8Å; L94-I113 HydrophobicContact CD2-CD1 3.88Å; L94-I113 HydrophobicContact CD2-CG1 4.15Å; L94-I113 HydrophobicContact CD2-CG2 4.37Å; L94-L129 HydrophobicContact CD2-CD2 4.33Å |
| 95 | S | 91.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 161.8 | -173.1 | 76.5 | 0 | 0 | 0 | 0 | 111.5 | F59 V93 E97 V112 I113 L115 | F59-S95 VanDerWaalsContact CZ-C 3.48Å; F59-S95 WeakPolarHBondContact CZ-O 3.48Å; V93-S95 PolarHBondContact O-N 2.95Å; S95-E97 WeakPolarHBondContact OG-CG 3.26Å; S95-V112 VanDerWaalsContact OG-CG1 3.24Å; S95-V112 WeakPolarHBondContact OG-CG1 3.1Å; S95-I113 PolarHBondContact N-O 2.97Å; S95-I113 PolarHBondContact OG-O 2.84Å; S95-I113 VanDerWaalsContact OG-O 3.12Å; S95-L115 PolarHBondContact O-N 3.05Å |
| 96 | N | 88.1 | Confident | 88.2 | Confident | 66 Ų | 66 | 39.9 Ų | 39.9 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | trans | -105.9 | 38.8 | 177.5 | 62.8 | -53.5 | 0 | 0 | 0 | 111.5 | S56 M58 F59 | S56-N96 PolarHBondContact OG-OD1 3.2Å; M58-N96 WeakPolarHBondContact CB-ND2 3.36Å; M58-N96 VanDerWaalsContact CB-OD1 3.27Å; M58-N96 WeakPolarHBondContact CB-OD1 3.37Å; F59-N96 HydrophobicContact CD1-CB 4.3Å; F59-N96 HydrophobicContact CE1-CB 3.72Å; F59-N96 HydrophobicContact CZ-CB 3.96Å | ||
| 97 | E | 85.2 | Confident | 87.3 | Confident | 88 Ų | 88 | 37 Ų | 37 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | trans | -66.5 | -176.7 | 178.1 | -68 | 180 | -154.7 | 0 | 0 | 112.5 | S95 G99 F101 S114 G116 | S95-E97 WeakPolarHBondContact OG-CG 3.26Å; E97-G99 PolarHBondContact O-N 3.21Å; E97-F101 HydrophobicContact CB-CE1 4.4Å; E97-F101 HydrophobicContact CB-CZ 4.41Å; E97-F101 WeakPolarHBondContact OE2-CZ 3.39Å; E97-S114 VanDerWaalsContact C-OG 3.28Å; E97-S114 WeakPolarHBondContact CB-OG 3.48Å; E97-S114 PolarHBondContact O-OG 2.88Å; E97-G116 WeakPolarHBondContact O-CA 3.48Å | ||
| 98 | H | 77.1 | Confident | 86.3 | Confident | 151 Ų | 151 | 41.1 Ų | 41.1 | 70% | 0.699 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -78 | 112.5 | -177 | -72.8 | -69.4 | 0 | 0 | 0 | 112.6 | I11 | I11-H98 HydrophobicContact CD1-CB 3.97Š|
| 99 | G | 77.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 89.2 | -176.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | E97 S114 G116 C119 | E97-G99 PolarHBondContact O-N 3.21Å; G99-S114 WeakPolarHBondContact O-CB 3.28Å; G99-S114 PolarHBondContact O-OG 3.26Å; G99-G116 PolarHBondContact O-N 3.05Å; G99-C119 PolarHBondContact O-SG 3.19Å |
| 100 | C | 88.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 43 Ų | 43 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.6 | 176.2 | -32.3 | 0 | 0 | 0 | 0 | 106.9 | K15 S114 C119 V124 E128 | K15-C100 PolarHBondContact NZ-O 2.55Å; C100-S114 WeakPolarHBondContact CA-O 3.46Å; C100-C119 WeakPolarHBondContact CA-SG 3.35Å; C100-C119 HydrophobicContact CB-CB 3.9Å; C100-C119 WeakPolarHBondContact CB-SG 3.22Å; C100-C119 PolarHBondContact N-SG 3.14Å; C100-C119 WeakPolarHBondContact SG-CB 3.39Å; C100-C119 CovalentContact SG-SG 2.04Å; C100-C119 PolarHBondContact SG-SG 3.41Å; C100-V124 HydrophobicContact CB-CG1 4.01Å; C100-E128 HydrophobicContact CB-CG 4.43Å; C100-E128 WeakPolarHBondContact CB-OE1 3.12Å |
| 101 | F | 84.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 159.4 | 173.4 | 62 | -90.9 | 0 | 0 | 0 | 113.5 | K15 D19 I21 E97 V112 I113 S114 E128 | K15-F101 HydrophobicContact CD-CB 3.91Å; K15-F101 HydrophobicContact CD-CD1 4.44Å; K15-F101 HydrophobicContact CD-CG 4.34Å; D19-F101 HydrophobicContact CB-CB 4.42Å; D19-F101 CarbonylContact O-C 3.49Å; D19-F101 WeakPolarHBondContact O-CA 3.32Å; D19-F101 WeakPolarHBondContact O-CB 3.04Å; I21-F101 HydrophobicContact CB-CD2 4.46Å; I21-F101 HydrophobicContact CD1-CD2 3.62Å; I21-F101 HydrophobicContact CD1-CE2 3.51Å; I21-F101 HydrophobicContact CG1-CD2 3.78Å; I21-F101 HydrophobicContact CG1-CE2 4.21Å; I21-F101 HydrophobicContact CG2-CB 4.46Å; I21-F101 HydrophobicContact CG2-CD2 3.84Å; I21-F101 HydrophobicContact CG2-CE2 4.32Å; I21-F101 HydrophobicContact CG2-CG 4.29Å; E97-F101 HydrophobicContact CB-CE1 4.4Å; E97-F101 HydrophobicContact CB-CZ 4.41Å; E97-F101 WeakPolarHBondContact OE2-CZ 3.39Å; F101-V112 HydrophobicContact CE2-CG1 4.42Å; F101-I113 CarbonylContact O-C 3.59Å; F101-I113 WeakPolarHBondContact O-CA 3.32Å; F101-S114 WeakPolarHBondContact CE1-OG 3.47Å; F101-S114 VanDerWaalsContact CZ-CB 3.46Å; F101-S114 PolarHBondContact N-O 3.37Å; F101-S114 PolarHBondContact O-N 3.01Å; F101-E128 WeakPolarHBondContact CA-OE2 3.47Å; F101-E128 PolarHBondContact N-OE1 3.39Å |
| 102 | S | 82.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -147.7 | 171.8 | 178.2 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | D19 I20 I21 E128 A132 | D19-S102 PolarHBondContact O-N 3.19Å; I20-S102 WeakPolarHBondContact CA-O 3.42Å; I21-S102 WeakPolarHBondContact CG1-O 3.37Å; I21-S102 PolarHBondContact N-O 3.27Å; S102-E128 VanDerWaalsContact CB-O 3.26Å; S102-E128 WeakPolarHBondContact CB-O 3.44Å; S102-E128 WeakPolarHBondContact CB-OE2 3.46Å; S102-E128 PolarHBondContact N-OE2 2.98Å; S102-E128 VanDerWaalsContact N-OE2 3.13Å; S102-E128 PolarHBondContact OG-O 3.41Å; S102-A132 PolarHBondContact OG-N 2.67Å |
| 103 | M | 80.5 | Confident | 84.8 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | trans | -97.5 | 157.4 | 164.6 | -71.4 | 172.7 | -106.2 | 0 | 0 | 108.7 | I21 M107 Q111 V112 H131 A132 | I21-M103 HydrophobicContact CD1-CE 3.92Å; I21-M103 HydrophobicContact CD1-CG 4.01Å; I21-M103 HydrophobicContact CD1-SD 4.48Å; I21-M103 HydrophobicContact CG1-CG 3.62Å; I21-M103 WeakPolarHBondContact O-CG 3.42Å; M103-M107 HydrophobicContact CB-CG 3.67Å; M103-M107 HydrophobicContact CB-SD 4.47Å; M103-M107 HydrophobicContact CG-CG 4.09Å; M103-M107 HydrophobicContact SD-CB 4.03Å; M103-M107 HydrophobicContact SD-CG 3.58Å; M103-M107 VanDerWaalsContact SD-CG 3.58Å; M103-Q111 HydrophobicContact CE-CB 3.52Å; M103-Q111 HydrophobicContact SD-CB 4.16Å; M103-V112 VanDerWaalsContact CE-N 3.31Å; M103-H131 CarbonylContact O-C 3.49Å; M103-A132 WeakPolarHBondContact O-CA 3.41Å; M103-A132 PolarHBondContact O-N 2.93Å | ||
| 104 | V | 81.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -92.8 | 110.6 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | I20 V39 M107 H131 W136 | I20-V104 HydrophobicContact CD1-CG2 3.76Å; I20-V104 HydrophobicContact CG1-CG2 4.04Å; I20-V104 HydrophobicContact CG2-CG2 3.71Å; V39-V104 HydrophobicContact CG1-CG1 3.54Å; V104-M107 WeakPolarHBondContact O-CE 3.03Å; V104-H131 CarbonylContact C-O 3.48Å; V104-H131 VanDerWaalsContact CA-O 3.23Å; V104-H131 WeakPolarHBondContact CA-O 3.3Å; V104-H131 HydrophobicContact CG2-CB 4.4Å; V104-W136 HydrophobicContact CB-CD2 4.37Å; V104-W136 HydrophobicContact CB-CE3 4.45Å; V104-W136 HydrophobicContact CB-CH2 3.98Å; V104-W136 HydrophobicContact CB-CZ2 3.89Å; V104-W136 HydrophobicContact CB-CZ3 4.27Å; V104-W136 HydrophobicContact CG1-CD2 4.02Å; V104-W136 HydrophobicContact CG1-CG 4.4Å; V104-W136 HydrophobicContact CG1-CH2 4.47Å; V104-W136 HydrophobicContact CG1-CZ2 3.91Å; V104-W136 HydrophobicContact CG2-CD2 4.01Å; V104-W136 HydrophobicContact CG2-CE3 3.74Å; V104-W136 HydrophobicContact CG2-CH2 3.95Å; V104-W136 HydrophobicContact CG2-CZ2 4.21Å; V104-W136 HydrophobicContact CG2-CZ3 3.72Å |
| 105 | G | 82.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 81.7 | -167.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L44 Q111 H131 A132 | L44-G105 CarbonylContact O-C 3.51Å; L44-G105 WeakPolarHBondContact O-CA 3.11Å; G105-Q111 PolarHBondContact O-NE2 2.92Å; G105-H131 PolarHBondContact N-O 2.93Å; G105-A132 CarbonylContact C-O 3.55Å; G105-A132 VanDerWaalsContact C-O 3.24Å; G105-A132 WeakPolarHBondContact CA-O 3.28Å |
| 106 | R | 83.7 | Confident | 84.1 | Confident | 20 Ų | 20 | 40 Ų | 40 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | trans | -84.2 | 115.9 | 177.1 | -177.1 | 178.3 | 59.2 | 115.6 | -14.9 | 110.7 | H43 L44 L45 W46 E47 D90 | H43-R106 PolarHBondContact O-NH2 2.84Å; L44-R106 PolarHBondContact O-N 2.73Å; L45-R106 PolarHBondContact O-NE 2.84Å; L45-R106 PolarHBondContact O-NH2 2.77Å; W46-R106 HydrophobicContact CD2-CB 3.96Å; W46-R106 HydrophobicContact CD2-CG 4.09Å; W46-R106 HydrophobicContact CE3-CB 4.44Å; W46-R106 HydrophobicContact CE3-CG 4.06Å; W46-R106 HydrophobicContact CG-CB 4.23Å; W46-R106 HydrophobicContact CH2-CG 4.14Å; W46-R106 HydrophobicContact CZ2-CB 4.19Å; W46-R106 HydrophobicContact CZ2-CG 4.19Å; W46-R106 HydrophobicContact CZ3-CG 4.07Å; E47-R106 IonicContact OE1-CZ 3.69Å; E47-R106 IonicContact OE1-NH1 3.39Å; E47-R106 PolarHBondContact OE1-NH1 3.15Å; E47-R106 IonicContact OE1-NH2 2.67Å; E47-R106 PolarHBondContact OE1-NH2 3.5Å; D90-R106 HydrophobicContact CB-CG 4.28Å; D90-R106 IonicContact OD2-CZ 3.51Å; D90-R106 IonicContact OD2-NH1 3.37Å; D90-R106 PolarHBondContact OD2-NH1 3.15Å | ||
| 107 | M | 75.7 | Confident | 83.8 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | trans | -95.2 | 2.6 | -175.7 | -62.7 | -66.3 | 91.4 | 0 | 0 | 114.6 | L44 M103 V104 | L44-M107 HydrophobicContact CD2-CE 3.66Å; M103-M107 HydrophobicContact CB-CG 3.67Å; M103-M107 HydrophobicContact CB-SD 4.47Å; M103-M107 HydrophobicContact CG-CG 4.09Å; M103-M107 HydrophobicContact SD-CB 4.03Å; M103-M107 HydrophobicContact SD-CG 3.58Å; M103-M107 VanDerWaalsContact SD-CG 3.58Å; V104-M107 WeakPolarHBondContact O-CE 3.03Å | ||
| 108 | K | 72.3 | Confident | 83.7 | Confident | 144 Ų | 144 | 37.9 Ų | 37.9 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | S | Bend | trans | 64.1 | 144.4 | -169.6 | -54.8 | -179 | 176.7 | -179.3 | 0 | 113.1 | D90 | D90-K108 WeakPolarHBondContact OD1-CA 3.26Š|
| 109 | G | 81.7 | Confident | 84.3 | Confident | 27 Ų | 27 | 30.7 Ų | 30.7 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 69.3 | -154.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A89 D90 Y91 Q111 | A89-G109 CarbonylContact O-C 3.59Å; A89-G109 WeakPolarHBondContact O-CA 3.46Å; D90-G109 WeakPolarHBondContact CA-O 3.33Å; D90-G109 PolarHBondContact OD1-N 3.08Å; Y91-G109 PolarHBondContact N-O 3.15Å; G109-Q111 PolarHBondContact O-N 3.3Å |
| 110 | R | 88.4 | Confident | 85 | Confident | 140 Ų | 140 | 29.8 Ų | 29.8 | 53% | 0.528 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 114.8 | 178 | -178.5 | -177.2 | 170.8 | -78.5 | -2.1 | 110.4 | Y91 V93 V112 | Y91-R110 HydrophobicContact CD1-CB 4.17Å; Y91-R110 HydrophobicContact CE1-CB 3.41Å; Y91-R110 VanDerWaalsContact CE1-CB 3.41Å; Y91-R110 HydrophobicContact CE1-CG 3.89Å; Y91-R110 HydrophobicContact CE2-CG 4.15Å; V93-R110 HydrophobicContact CG2-CG 3.71Å; R110-V112 VanDerWaalsContact NH1-CG2 3.25Å |
| 111 | Q | 85.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.2 | 174.4 | 80.5 | -179.8 | 63 | 0 | 0 | 111.5 | W46 Y91 L92 V93 M103 G105 G109 | W46-Q111 HydrophobicContact CH2-CG 4.47Å; W46-Q111 HydrophobicContact CZ2-CG 4.33Å; Y91-Q111 WeakPolarHBondContact O-CG 3.48Å; Y91-Q111 PolarHBondContact O-N 3.42Å; L92-Q111 CarbonylContact C-O 3.53Å; L92-Q111 WeakPolarHBondContact CA-O 3.02Å; L92-Q111 VanDerWaalsContact CD2-CD 3.5Å; L92-Q111 HydrophobicContact CD2-CG 3.33Å; V93-Q111 PolarHBondContact N-O 3.45Å; M103-Q111 HydrophobicContact CE-CB 3.52Å; M103-Q111 HydrophobicContact SD-CB 4.16Å; G105-Q111 PolarHBondContact O-NE2 2.92Å; G109-Q111 PolarHBondContact O-N 3.3Å |
| 112 | V | 86.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.4 | -174.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | V93 S95 F101 M103 R110 | V93-V112 HydrophobicContact CB-CG2 4.48Å; V93-V112 WeakPolarHBondContact O-CA 3.14Å; S95-V112 VanDerWaalsContact OG-CG1 3.24Å; S95-V112 WeakPolarHBondContact OG-CG1 3.1Å; F101-V112 HydrophobicContact CE2-CG1 4.42Å; M103-V112 VanDerWaalsContact CE-N 3.31Å; R110-V112 VanDerWaalsContact NH1-CG2 3.25Å |
| 113 | I | 93.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.3 | 155.9 | -57.7 | -174.7 | 0 | 0 | 0 | 107.5 | L92 V93 L94 S95 F101 L115 E128 L129 A132 | L92-I113 HydrophobicContact CD1-CD1 3.77Å; L92-I113 HydrophobicContact CD2-CD1 4.17Å; L92-I113 HydrophobicContact CD2-CG1 4.3Å; L92-I113 HydrophobicContact CG-CD1 4.48Å; V93-I113 PolarHBondContact O-N 3.45Å; L94-I113 HydrophobicContact CD2-CB 3.8Å; L94-I113 HydrophobicContact CD2-CD1 3.88Å; L94-I113 HydrophobicContact CD2-CG1 4.15Å; L94-I113 HydrophobicContact CD2-CG2 4.37Å; S95-I113 PolarHBondContact N-O 2.97Å; S95-I113 PolarHBondContact OG-O 2.84Å; S95-I113 VanDerWaalsContact OG-O 3.12Å; F101-I113 CarbonylContact O-C 3.59Å; F101-I113 WeakPolarHBondContact O-CA 3.32Å; I113-L115 HydrophobicContact CG2-CD2 4.23Å; I113-L115 HydrophobicContact CG2-CG 4.2Å; I113-E128 HydrophobicContact CG2-CB 3.72Å; I113-E128 HydrophobicContact CG2-CG 4.5Å; I113-L129 HydrophobicContact CD1-CD2 3.79Å; I113-A132 HydrophobicContact CD1-CB 3.7Å; I113-A132 HydrophobicContact CG1-CB 4.46Å |
| 114 | S | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | E97 G99 C100 F101 | E97-S114 VanDerWaalsContact C-OG 3.28Å; E97-S114 WeakPolarHBondContact CB-OG 3.48Å; E97-S114 PolarHBondContact O-OG 2.88Å; G99-S114 WeakPolarHBondContact O-CB 3.28Å; G99-S114 PolarHBondContact O-OG 3.26Å; C100-S114 WeakPolarHBondContact CA-O 3.46Å; F101-S114 WeakPolarHBondContact CE1-OG 3.47Å; F101-S114 VanDerWaalsContact CZ-CB 3.46Å; F101-S114 PolarHBondContact N-O 3.37Å; F101-S114 PolarHBondContact O-N 3.01Å |
| 115 | L | 92.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 64.6 | 172.9 | -58.1 | 171.5 | 0 | 0 | 0 | 108.1 | F59 I67 S95 I113 C119 L120 I125 E128 | F59-L115 HydrophobicContact CZ-CB 4.07Å; I67-L115 HydrophobicContact CD1-CD1 3.99Å; I67-L115 HydrophobicContact CG1-CD1 3.93Å; S95-L115 PolarHBondContact O-N 3.05Å; I113-L115 HydrophobicContact CG2-CD2 4.23Å; I113-L115 HydrophobicContact CG2-CG 4.2Å; L115-C119 HydrophobicContact CB-CB 4.31Å; L115-C119 HydrophobicContact CD2-CB 4.43Å; L115-L120 HydrophobicContact CB-CD2 4.12Å; L115-I125 HydrophobicContact CD1-CG1 4.12Å; L115-I125 HydrophobicContact CD1-CG2 3.99Å; L115-I125 HydrophobicContact CD2-CB 4.36Å; L115-I125 HydrophobicContact CD2-CG1 3.96Å; L115-I125 HydrophobicContact CD2-CG2 4.44Å; L115-E128 HydrophobicContact CD2-CB 4.33Å; L115-E128 HydrophobicContact CD2-CG 4.13Å |
| 116 | G | 86.5 | Confident | 88.1 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | trans | -67.4 | -169.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | E97 G99 G118 C119 | E97-G116 WeakPolarHBondContact O-CA 3.48Å; G99-G116 PolarHBondContact O-N 3.05Å; G116-G118 PolarHBondContact O-N 3.17Å; G116-G118 VanDerWaalsContact O-N 3.15Å; G116-C119 PolarHBondContact N-SG 3.14Å; G116-C119 WeakPolarHBondContact O-CB 3.46Å; G116-C119 PolarHBondContact O-N 2.89Å | ||
| 117 | S | 80.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 33.8 Ų | 33.8 | 69% | 0.685 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 121.3 | 174.7 | -163.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 118 | G | 84.1 | Confident | 89.7 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -2.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G116 Y121 | G116-G118 PolarHBondContact O-N 3.17Å; G116-G118 VanDerWaalsContact O-N 3.15Å; G118-Y121 WeakPolarHBondContact O-CD2 3.03Å |
| 119 | C | 89.6 | Confident | 90.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | trans | -97.9 | -9.7 | -179.9 | -52 | 0 | 0 | 0 | 0 | 113.9 | G99 C100 L115 G116 Y121 V124 | G99-C119 PolarHBondContact O-SG 3.19Å; C100-C119 WeakPolarHBondContact CA-SG 3.35Å; C100-C119 HydrophobicContact CB-CB 3.9Å; C100-C119 WeakPolarHBondContact CB-SG 3.22Å; C100-C119 PolarHBondContact N-SG 3.14Å; C100-C119 WeakPolarHBondContact SG-CB 3.39Å; C100-C119 CovalentContact SG-SG 2.04Å; C100-C119 PolarHBondContact SG-SG 3.41Å; L115-C119 HydrophobicContact CB-CB 4.31Å; L115-C119 HydrophobicContact CD2-CB 4.43Å; G116-C119 PolarHBondContact N-SG 3.14Å; G116-C119 WeakPolarHBondContact O-CB 3.46Å; G116-C119 PolarHBondContact O-N 2.89Å; C119-Y121 PolarHBondContact O-N 2.91Å; C119-V124 HydrophobicContact CB-CG1 4.07Å; C119-V124 WeakPolarHBondContact O-CB 3.48Å | ||
| 120 | L | 91.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | trans | -80.9 | 47.8 | -175.1 | -68.1 | 173.6 | 0 | 0 | 0 | 113.2 | F59 E63 I67 L115 I125 F296 | F59-L120 HydrophobicContact CE1-CD1 4.44Å; F59-L120 HydrophobicContact CE1-CD2 4.06Å; E63-L120 HydrophobicContact CB-CD1 3.72Å; E63-L120 HydrophobicContact CG-CD1 3.53Å; E63-L120 VanDerWaalsContact OE1-CD1 3.29Å; E63-L120 WeakPolarHBondContact OE1-CD1 3.43Å; I67-L120 HydrophobicContact CD1-CD2 4.06Å; I67-L120 HydrophobicContact CG1-CD2 3.98Å; L115-L120 HydrophobicContact CB-CD2 4.12Å; L120-I125 HydrophobicContact CD2-CD1 4.29Å; L120-F296 WeakPolarHBondContact O-CE1 3.5Å; L120-F296 WeakPolarHBondContact O-CZ 3.21Å | ||
| 121 | Y | 91.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -108.4 | 144 | 168.5 | -68.2 | -84.8 | 0 | 0 | 0 | 109 | G118 C119 E123 V124 I125 F296 Y299 F305 | G118-Y121 WeakPolarHBondContact O-CD2 3.03Å; C119-Y121 PolarHBondContact O-N 2.91Å; Y121-E123 VanDerWaalsContact C-N 3.25Å; Y121-E123 WeakPolarHBondContact CB-OE1 3.41Å; Y121-E123 PolarHBondContact O-N 2.83Å; Y121-V124 PolarHBondContact O-N 3.04Å; Y121-V124 VanDerWaalsContact O-N 3.12Å; Y121-I125 VanDerWaalsContact O-CG1 3.27Å; Y121-I125 WeakPolarHBondContact O-CG1 3.08Å; Y121-I125 PolarHBondContact O-N 3.07Å; Y121-F296 HydrophobicContact CD1-CD1 4.02Å; Y121-F296 AromaticContact CD1-CE1 3.81Å; Y121-F296 HydrophobicContact CD1-CE1 3.81Å; Y121-F296 HydrophobicContact CD1-CZ 4.11Å; Y121-F296 AromaticContact CE1-CD1 3.51Å; Y121-F296 HydrophobicContact CE1-CD1 3.51Å; Y121-F296 AromaticContact CE1-CE1 3.78Å; Y121-F296 HydrophobicContact CE1-CE1 3.78Å; Y121-F296 AromaticContact CE1-CG 3.99Å; Y121-F296 HydrophobicContact CE1-CG 3.99Å; Y121-F296 HydrophobicContact CE1-CZ 4.43Å; Y121-F296 HydrophobicContact CG-CE1 4.4Å; Y121-Y299 HydrophobicContact CE2-CE1 4.23Å; Y121-Y299 VanDerWaalsContact OH-CB 3.25Å; Y121-Y299 WeakPolarHBondContact OH-CB 3.26Å; Y121-Y299 WeakPolarHBondContact OH-CD1 3.46Å; Y121-Y299 VanDerWaalsContact OH-CD2 3.28Å; Y121-Y299 WeakPolarHBondContact OH-CD2 3.4Å; Y121-Y299 WeakPolarHBondContact OH-CE1 3.27Å; Y121-F305 HydrophobicContact CD2-CD1 4.4Å; Y121-F305 AromaticContact CD2-CE1 3.88Å; Y121-F305 HydrophobicContact CD2-CE1 3.88Å; Y121-F305 HydrophobicContact CD2-CZ 4.47Å; Y121-F305 HydrophobicContact CE1-CD1 4.44Å; Y121-F305 AromaticContact CE2-CD1 3.51Å; Y121-F305 HydrophobicContact CE2-CD1 3.51Å; Y121-F305 AromaticContact CE2-CE1 3.2Å; Y121-F305 HydrophobicContact CE2-CE1 3.2Å; Y121-F305 HydrophobicContact CE2-CE2 4.37Å; Y121-F305 HydrophobicContact CE2-CG 4.22Å; Y121-F305 AromaticContact CE2-CZ 3.68Å; Y121-F305 HydrophobicContact CE2-CZ 3.68Å; Y121-F305 AromaticContact CZ-CD1 3.51Å; Y121-F305 AromaticContact CZ-CE1 3.75Å; Y121-F305 AromaticContact CZ-CG 3.99Å; Y121-F305 VanDerWaalsContact OH-CD1 3.25Å; Y121-F305 WeakPolarHBondContact OH-CD1 3.06Å; Y121-F305 VanDerWaalsContact OH-CG 3.25Å; Y121-F305 WeakPolarHBondContact OH-CG 3.2Å |
| 122 | R | 94 | Very high | 92.2 | Very high | 88 Ų | 88 | 15.9 Ų | 15.9 | 33% | 0.332 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -54 | -45.4 | -174.7 | -175.4 | -179 | 65.6 | 175.3 | 1.9 | 111.5 | A70 I125 V126 M234 | A70-R122 HydrophobicContact CB-CG 4.28Å; R122-I125 PolarHBondContact O-N 2.83Å; R122-V126 HydrophobicContact CG-CG2 4.43Å; R122-V126 WeakPolarHBondContact O-CB 3.48Å; R122-V126 VanDerWaalsContact O-CG2 3.25Å; R122-V126 WeakPolarHBondContact O-CG2 3.25Å; R122-V126 PolarHBondContact O-N 3.25Å; R122-M234 PolarHBondContact NH2-O 2.98Å; R122-M234 VanDerWaalsContact NH2-O 3.13Å |
| 123 | E | 93.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 15.3 Ų | 15.3 | 15% | 0.145 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | -179 | 64.6 | -78.1 | -174 | 0 | 0 | 113.2 | Y121 H127 I203 M234 | Y121-E123 VanDerWaalsContact C-N 3.25Å; Y121-E123 WeakPolarHBondContact CB-OE1 3.41Å; Y121-E123 PolarHBondContact O-N 2.83Å; E123-H127 VanDerWaalsContact O-CB 3.3Å; E123-H127 WeakPolarHBondContact O-CB 3.08Å; E123-H127 PolarHBondContact O-N 2.69Å; E123-I203 HydrophobicContact CB-CD1 4.08Å; E123-I203 VanDerWaalsContact O-CD1 3.24Å; E123-I203 WeakPolarHBondContact O-CD1 3.4Å; E123-M234 HydrophobicContact CG-CE 4.42Å; E123-M234 WeakPolarHBondContact OE2-CE 3.23Å |
| 124 | V | 92.9 | Very high | 92.3 | Very high | 38 Ų | 38 | 15.3 Ų | 15.3 | 23% | 0.23 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.4 | -44.4 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 110 | C100 C119 Y121 V126 H127 E128 | C100-V124 HydrophobicContact CB-CG1 4.01Å; C119-V124 HydrophobicContact CB-CG1 4.07Å; C119-V124 WeakPolarHBondContact O-CB 3.48Å; Y121-V124 PolarHBondContact O-N 3.04Å; Y121-V124 VanDerWaalsContact O-N 3.12Å; V124-V126 VanDerWaalsContact C-N 3.34Å; V124-V126 PolarHBondContact O-N 3.42Å; V124-H127 WeakPolarHBondContact O-CB 3.17Å; V124-H127 PolarHBondContact O-N 2.76Å; V124-E128 HydrophobicContact CG1-CG 4.44Å; V124-E128 WeakPolarHBondContact O-CG 3.31Å; V124-E128 PolarHBondContact O-N 3.29Å |
| 125 | I | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.6 | -58.4 | 161.2 | 0 | 0 | 0 | 110.3 | L66 I67 A70 L115 L120 Y121 R122 H127 E128 L129 | L66-I125 HydrophobicContact CB-CD1 4.5Å; I67-I125 HydrophobicContact CG1-CD1 4.18Å; A70-I125 HydrophobicContact CB-CB 3.63Å; A70-I125 HydrophobicContact CB-CD1 4.23Å; A70-I125 HydrophobicContact CB-CG2 3.42Å; A70-I125 VanDerWaalsContact CB-CG2 3.42Å; L115-I125 HydrophobicContact CD1-CG1 4.12Å; L115-I125 HydrophobicContact CD1-CG2 3.99Å; L115-I125 HydrophobicContact CD2-CB 4.36Å; L115-I125 HydrophobicContact CD2-CG1 3.96Å; L115-I125 HydrophobicContact CD2-CG2 4.44Å; L120-I125 HydrophobicContact CD2-CD1 4.29Å; Y121-I125 VanDerWaalsContact O-CG1 3.27Å; Y121-I125 WeakPolarHBondContact O-CG1 3.08Å; Y121-I125 PolarHBondContact O-N 3.07Å; R122-I125 PolarHBondContact O-N 2.83Å; I125-H127 VanDerWaalsContact C-N 3.32Å; I125-H127 PolarHBondContact O-N 2.7Å; I125-E128 PolarHBondContact O-N 3.18Å; I125-L129 HydrophobicContact CG2-CD1 3.88Å; I125-L129 HydrophobicContact CG2-CG 4.34Å; I125-L129 WeakPolarHBondContact O-CB 3.34Å; I125-L129 WeakPolarHBondContact O-CG 3.47Å; I125-L129 PolarHBondContact O-N 3.13Å |
| 126 | V | 97.7 | Very high | 92 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | A70 T73 I74 R122 V124 L129 L130 I203 M236 | A70-V126 HydrophobicContact CB-CG2 3.98Å; T73-V126 HydrophobicContact CG2-CG2 4.48Å; I74-V126 HydrophobicContact CD1-CG1 4.39Å; I74-V126 HydrophobicContact CG1-CG1 4.28Å; R122-V126 HydrophobicContact CG-CG2 4.43Å; R122-V126 WeakPolarHBondContact O-CB 3.48Å; R122-V126 VanDerWaalsContact O-CG2 3.25Å; R122-V126 WeakPolarHBondContact O-CG2 3.25Å; R122-V126 PolarHBondContact O-N 3.25Å; V124-V126 VanDerWaalsContact C-N 3.34Å; V124-V126 PolarHBondContact O-N 3.42Å; V126-L129 PolarHBondContact O-N 3.09Å; V126-L130 HydrophobicContact CG1-CD1 4.06Å; V126-L130 HydrophobicContact CG1-CG 4.39Å; V126-L130 WeakPolarHBondContact O-CB 3.26Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.44Å; V126-I203 HydrophobicContact CB-CD1 3.92Å; V126-I203 HydrophobicContact CG1-CD1 3.76Å; V126-M236 HydrophobicContact CG1-CG 3.78Å; V126-M236 HydrophobicContact CG1-SD 4.12Å |
| 127 | H | 96.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 16.3 Ų | 16.3 | 10% | 0.102 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 176.2 | -176.8 | 103.3 | 0 | 0 | 0 | 112 | D19 E123 V124 I125 L129 L130 H131 H137 I203 M204 | D19-H127 IonicContact OD2-CD2 3.47Å; D19-H127 IonicContact OD2-NE2 2.71Å; D19-H127 PolarHBondContact OD2-NE2 2.85Å; E123-H127 VanDerWaalsContact O-CB 3.3Å; E123-H127 WeakPolarHBondContact O-CB 3.08Å; E123-H127 PolarHBondContact O-N 2.69Å; V124-H127 WeakPolarHBondContact O-CB 3.17Å; V124-H127 PolarHBondContact O-N 2.76Å; I125-H127 VanDerWaalsContact C-N 3.32Å; I125-H127 PolarHBondContact O-N 2.7Å; H127-L129 VanDerWaalsContact C-N 3.3Å; H127-L129 PolarHBondContact O-N 3.2Å; H127-L130 WeakPolarHBondContact O-CB 3.25Å; H127-L130 PolarHBondContact O-N 3.2Å; H127-L130 VanDerWaalsContact O-N 3.1Å; H127-H131 AromaticContact CD2-CD2 3.68Å; H127-H131 AromaticContact CD2-NE2 3.5Å; H127-H131 AromaticContact NE2-CD2 3.76Å; H127-H131 AromaticContact NE2-CE1 3.91Å; H127-H131 AromaticContact NE2-NE2 3.07Å; H127-H131 PolarHBondContact NE2-NE2 3.32Å; H127-H131 PolarHBondContact O-N 3.16Å; H127-H137 AromaticContact CE1-CD2 3.63Å; H127-H137 AromaticContact CE1-NE2 3.52Å; H127-H137 AromaticContact NE2-CD2 3.83Å; H127-H137 AromaticContact NE2-NE2 3.28Å; H127-H137 PolarHBondContact NE2-NE2 3.42Å; H127-I203 PolarHBondContact CE1-O 2.83Å; H127-I203 PolarHBondContact ND1-O 2.88Å; H127-M204 HydrophobicContact CB-SD 4.49Å |
| 128 | E | 96.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.2 | -33.8 | 179.6 | -60.6 | -63.7 | 176.8 | 0 | 0 | 112.8 | C100 F101 S102 I113 L115 V124 I125 H131 A132 | C100-E128 HydrophobicContact CB-CG 4.43Å; C100-E128 WeakPolarHBondContact CB-OE1 3.12Å; F101-E128 WeakPolarHBondContact CA-OE2 3.47Å; F101-E128 PolarHBondContact N-OE1 3.39Å; S102-E128 VanDerWaalsContact CB-O 3.26Å; S102-E128 WeakPolarHBondContact CB-O 3.44Å; S102-E128 WeakPolarHBondContact CB-OE2 3.46Å; S102-E128 PolarHBondContact N-OE2 2.98Å; S102-E128 VanDerWaalsContact N-OE2 3.13Å; S102-E128 PolarHBondContact OG-O 3.41Å; I113-E128 HydrophobicContact CG2-CB 3.72Å; I113-E128 HydrophobicContact CG2-CG 4.5Å; L115-E128 HydrophobicContact CD2-CB 4.33Å; L115-E128 HydrophobicContact CD2-CG 4.13Å; V124-E128 HydrophobicContact CG1-CG 4.44Å; V124-E128 WeakPolarHBondContact O-CG 3.31Å; V124-E128 PolarHBondContact O-N 3.29Å; I125-E128 PolarHBondContact O-N 3.18Å; E128-H131 WeakPolarHBondContact O-CB 3.43Å; E128-H131 PolarHBondContact O-N 3.03Å; E128-H131 IonicContact OE2-CD2 3.83Å; E128-A132 PolarHBondContact O-N 3.28Å |
| 129 | L | 97.7 | Very high | 93 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | 173.1 | -70.4 | 171.1 | 0 | 0 | 0 | 111.5 | I71 I74 F82 L92 L94 I113 I125 V126 H127 H131 A132 L133 | I71-L129 HydrophobicContact CG1-CD1 3.93Å; I74-L129 HydrophobicContact CD1-CB 3.53Å; I74-L129 HydrophobicContact CD1-CD1 3.91Å; I74-L129 HydrophobicContact CD1-CG 4.37Å; F82-L129 HydrophobicContact CE1-CD2 3.69Å; F82-L129 HydrophobicContact CZ-CB 4.4Å; F82-L129 HydrophobicContact CZ-CD1 4.47Å; F82-L129 HydrophobicContact CZ-CD2 3.98Å; L92-L129 HydrophobicContact CD1-CD2 4.28Å; L94-L129 HydrophobicContact CD2-CD2 4.33Å; I113-L129 HydrophobicContact CD1-CD2 3.79Å; I125-L129 HydrophobicContact CG2-CD1 3.88Å; I125-L129 HydrophobicContact CG2-CG 4.34Å; I125-L129 WeakPolarHBondContact O-CB 3.34Å; I125-L129 WeakPolarHBondContact O-CG 3.47Å; I125-L129 PolarHBondContact O-N 3.13Å; V126-L129 PolarHBondContact O-N 3.09Å; H127-L129 VanDerWaalsContact C-N 3.3Å; H127-L129 PolarHBondContact O-N 3.2Å; L129-H131 VanDerWaalsContact C-N 3.34Å; L129-A132 CarbonylContact O-C 3.48Å; L129-A132 WeakPolarHBondContact O-CB 3.31Å; L129-A132 PolarHBondContact O-N 3.24Å; L129-A132 VanDerWaalsContact O-N 3.15Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.22Å; L129-L133 PolarHBondContact O-N 3.29Å |
| 130 | L | 97 | Very high | 92.9 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 175 | -77 | 171.1 | 0 | 0 | 0 | 111.8 | V126 H127 A132 L133 G134 F135 I203 M204 M236 L244 | V126-L130 HydrophobicContact CG1-CD1 4.06Å; V126-L130 HydrophobicContact CG1-CG 4.39Å; V126-L130 WeakPolarHBondContact O-CB 3.26Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.44Å; H127-L130 WeakPolarHBondContact O-CB 3.25Å; H127-L130 PolarHBondContact O-N 3.2Å; H127-L130 VanDerWaalsContact O-N 3.1Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.47Å; L130-L133 HydrophobicContact CD2-CD1 4.31Å; L130-L133 CarbonylContact O-C 3.57Å; L130-L133 PolarHBondContact O-N 3.48Å; L130-L133 VanDerWaalsContact O-N 3.13Å; L130-G134 PolarHBondContact O-N 3.08Å; L130-F135 HydrophobicContact CB-CB 4.27Å; L130-F135 HydrophobicContact CB-CD2 4.31Å; L130-F135 HydrophobicContact CD2-CD2 3.92Å; L130-F135 HydrophobicContact CD2-CE2 4.27Å; L130-F135 WeakPolarHBondContact O-CB 3.33Å; L130-F135 WeakPolarHBondContact O-CD2 3.38Å; L130-F135 PolarHBondContact O-N 3.46Å; L130-I203 HydrophobicContact CD1-CG2 3.34Å; L130-M204 HydrophobicContact CB-CE 4.2Å; L130-M204 HydrophobicContact CB-SD 3.55Å; L130-M204 VanDerWaalsContact CB-SD 3.55Å; L130-M204 HydrophobicContact CD1-CG 4.22Å; L130-M204 HydrophobicContact CD1-SD 3.68Å; L130-M204 HydrophobicContact CG-SD 4.29Å; L130-M236 HydrophobicContact CD1-CG 4.08Å; L130-L244 HydrophobicContact CD2-CD2 4.44Å |
| 131 | H | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -54.5 | -52.4 | 167.4 | -76.4 | -44.2 | 0 | 0 | 0 | 111.1 | D19 M103 V104 G105 H127 E128 L129 L133 G134 F135 H137 M204 | D19-H131 IonicContact OD1-NE2 3.72Å; D19-H131 IonicContact OD2-NE2 2.66Å; M103-H131 CarbonylContact O-C 3.49Å; V104-H131 CarbonylContact C-O 3.48Å; V104-H131 VanDerWaalsContact CA-O 3.23Å; V104-H131 WeakPolarHBondContact CA-O 3.3Å; V104-H131 HydrophobicContact CG2-CB 4.4Å; G105-H131 PolarHBondContact N-O 2.93Å; H127-H131 AromaticContact CD2-CD2 3.68Å; H127-H131 AromaticContact CD2-NE2 3.5Å; H127-H131 AromaticContact NE2-CD2 3.76Å; H127-H131 AromaticContact NE2-CE1 3.91Å; H127-H131 AromaticContact NE2-NE2 3.07Å; H127-H131 PolarHBondContact NE2-NE2 3.32Å; H127-H131 PolarHBondContact O-N 3.16Å; E128-H131 WeakPolarHBondContact O-CB 3.43Å; E128-H131 PolarHBondContact O-N 3.03Å; E128-H131 IonicContact OE2-CD2 3.83Å; L129-H131 VanDerWaalsContact C-N 3.34Å; H131-L133 PolarHBondContact O-N 2.75Å; H131-L133 VanDerWaalsContact O-N 3.1Å; H131-G134 WeakPolarHBondContact O-CA 3.47Å; H131-G134 PolarHBondContact O-N 3.36Å; H131-F135 WeakPolarHBondContact CA-O 3.47Å; H131-F135 PolarHBondContact ND1-O 3.42Å; H131-H137 AromaticContact CE1-CE1 3.72Å; H131-H137 AromaticContact CE1-NE2 3.88Å; H131-H137 AromaticContact NE2-CE1 3.68Å; H131-H137 AromaticContact NE2-NE2 3.66Å; H131-M204 WeakPolarHBondContact CE1-CE 3.43Å; H131-M204 WeakPolarHBondContact ND1-CE 3.27Å |
| 132 | A | 93.2 | Very high | 92 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61 | -24.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | W46 L92 S102 M103 G105 I113 E128 L129 L130 G134 | W46-A132 PolarHBondContact NE1-O 3.22Å; L92-A132 HydrophobicContact CD1-CB 4.2Å; L92-A132 HydrophobicContact CD2-CB 3.98Å; S102-A132 PolarHBondContact OG-N 2.67Å; M103-A132 WeakPolarHBondContact O-CA 3.41Å; M103-A132 PolarHBondContact O-N 2.93Å; G105-A132 CarbonylContact C-O 3.55Å; G105-A132 VanDerWaalsContact C-O 3.24Å; G105-A132 WeakPolarHBondContact CA-O 3.28Å; I113-A132 HydrophobicContact CD1-CB 3.7Å; I113-A132 HydrophobicContact CG1-CB 4.46Å; E128-A132 PolarHBondContact O-N 3.28Å; L129-A132 CarbonylContact O-C 3.48Å; L129-A132 WeakPolarHBondContact O-CB 3.31Å; L129-A132 PolarHBondContact O-N 3.24Å; L129-A132 VanDerWaalsContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.47Å; A132-G134 VanDerWaalsContact C-N 3.29Å |
| 133 | L | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.2 | 172.9 | -66.6 | 169.7 | 0 | 0 | 0 | 113.8 | V51 I74 I80 F82 L129 L130 H131 F135 L244 Y248 | V51-L133 HydrophobicContact CG2-CD2 3.85Å; I74-L133 HydrophobicContact CD1-CD1 4.12Å; I74-L133 HydrophobicContact CG2-CD1 3.86Å; I80-L133 HydrophobicContact CD1-CD2 3.96Å; I80-L133 HydrophobicContact CG1-CD1 4.36Å; I80-L133 HydrophobicContact CG1-CD2 4.1Å; I80-L133 HydrophobicContact CG2-CD1 4.38Å; I80-L133 HydrophobicContact CG2-CD2 3.84Å; F82-L133 HydrophobicContact CZ-CD1 4.31Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.22Å; L129-L133 PolarHBondContact O-N 3.29Å; L130-L133 HydrophobicContact CD2-CD1 4.31Å; L130-L133 CarbonylContact O-C 3.57Å; L130-L133 PolarHBondContact O-N 3.48Å; L130-L133 VanDerWaalsContact O-N 3.13Å; H131-L133 PolarHBondContact O-N 2.75Å; H131-L133 VanDerWaalsContact O-N 3.1Å; L133-F135 HydrophobicContact CB-CD2 4.34Å; L133-L244 HydrophobicContact CB-CD1 4.36Å; L133-L244 HydrophobicContact CD1-CD1 4Å; L133-Y248 HydrophobicContact CB-CE2 4.3Å; L133-Y248 HydrophobicContact CD2-CE2 4.34Å; L133-Y248 WeakPolarHBondContact O-CE2 3.49Å; L133-Y248 PolarHBondContact O-OH 3.2Å |
| 134 | G | 88 | Confident | 91.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 24.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S38 V39 L130 H131 A132 | S38-G134 CarbonylContact C-O 3.2Å; S38-G134 WeakPolarHBondContact CA-O 3.01Å; V39-G134 PolarHBondContact N-O 3.12Å; L130-G134 PolarHBondContact O-N 3.08Å; H131-G134 WeakPolarHBondContact O-CA 3.47Å; H131-G134 PolarHBondContact O-N 3.36Å; A132-G134 VanDerWaalsContact C-N 3.29Å |
| 135 | F | 90.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 10.8 Ų | 10.8 | 4% | 0.035 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -97.2 | 134.1 | 174.7 | -70.5 | -83.4 | 0 | 0 | 0 | 111.6 | L130 H131 L133 M204 K243 L244 L247 | L130-F135 HydrophobicContact CB-CB 4.27Å; L130-F135 HydrophobicContact CB-CD2 4.31Å; L130-F135 HydrophobicContact CD2-CD2 3.92Å; L130-F135 HydrophobicContact CD2-CE2 4.27Å; L130-F135 WeakPolarHBondContact O-CB 3.33Å; L130-F135 WeakPolarHBondContact O-CD2 3.38Å; L130-F135 PolarHBondContact O-N 3.46Å; H131-F135 WeakPolarHBondContact CA-O 3.47Å; H131-F135 PolarHBondContact ND1-O 3.42Å; L133-F135 HydrophobicContact CB-CD2 4.34Å; F135-M204 HydrophobicContact CB-CE 4.28Å; F135-M204 HydrophobicContact CB-CG 4.36Å; F135-K243 HydrophobicContact CE1-CB 3.7Å; F135-K243 HydrophobicContact CZ-CB 4.14Å; F135-L244 HydrophobicContact CE2-CB 4.24Å; F135-L244 HydrophobicContact CE2-CD1 3.75Å; F135-L244 HydrophobicContact CZ-CB 4.21Å; F135-L244 HydrophobicContact CZ-CD1 4.41Å; F135-L247 HydrophobicContact CE1-CD2 4.4Å; F135-L247 HydrophobicContact CE2-CD2 3.73Å; F135-L247 HydrophobicContact CZ-CB 4.27Å; F135-L247 HydrophobicContact CZ-CD2 3.63Å |
| 136 | W | 86.5 | Confident | 91 | Very high | 16 Ų | 16 | 17.6 Ų | 17.6 | 6% | 0.061 | 9% | 0.09 | C | C | . | . | trans | -92 | 176.6 | 164.7 | -58 | 93.2 | 0 | 0 | 0 | 109.4 | F16 I20 V23 F28 S37 V104 I186 L191 | F16-W136 HydrophobicContact CD1-CE3 4.48Å; F16-W136 AromaticContact CD1-CZ3 3.96Å; F16-W136 HydrophobicContact CD1-CZ3 3.96Å; F16-W136 HydrophobicContact CE1-CE3 4.17Å; F16-W136 AromaticContact CE1-CZ3 3.92Å; F16-W136 HydrophobicContact CE1-CZ3 3.92Å; I20-W136 HydrophobicContact CD1-CE3 3.51Å; I20-W136 HydrophobicContact CD1-CZ3 3.77Å; I20-W136 HydrophobicContact CG2-CZ3 4Å; V23-W136 HydrophobicContact CG1-CH2 4.16Å; V23-W136 HydrophobicContact CG2-CH2 3.7Å; V23-W136 HydrophobicContact CG2-CZ3 4.17Å; F28-W136 HydrophobicContact CZ-CH2 4.3Å; S37-W136 WeakPolarHBondContact O-CB 3.32Å; S37-W136 PolarHBondContact O-N 3.06Å; S37-W136 VanDerWaalsContact O-N 3.15Å; V104-W136 HydrophobicContact CB-CD2 4.37Å; V104-W136 HydrophobicContact CB-CE3 4.45Å; V104-W136 HydrophobicContact CB-CH2 3.98Å; V104-W136 HydrophobicContact CB-CZ2 3.89Å; V104-W136 HydrophobicContact CB-CZ3 4.27Å; V104-W136 HydrophobicContact CG1-CD2 4.02Å; V104-W136 HydrophobicContact CG1-CG 4.4Å; V104-W136 HydrophobicContact CG1-CH2 4.47Å; V104-W136 HydrophobicContact CG1-CZ2 3.91Å; V104-W136 HydrophobicContact CG2-CD2 4.01Å; V104-W136 HydrophobicContact CG2-CE3 3.74Å; V104-W136 HydrophobicContact CG2-CH2 3.95Å; V104-W136 HydrophobicContact CG2-CZ2 4.21Å; V104-W136 HydrophobicContact CG2-CZ3 3.72Å; W136-I186 HydrophobicContact CB-CG1 4.33Å; W136-I186 HydrophobicContact CD2-CD1 3.76Å; W136-I186 HydrophobicContact CD2-CG1 3.91Å; W136-I186 HydrophobicContact CE3-CD1 3.45Å; W136-I186 VanDerWaalsContact CE3-CD1 3.45Å; W136-I186 HydrophobicContact CE3-CG1 4.02Å; W136-I186 HydrophobicContact CG-CD1 4.42Å; W136-I186 HydrophobicContact CG-CG1 4.04Å; W136-I186 HydrophobicContact CH2-CD1 4.18Å; W136-I186 HydrophobicContact CZ2-CD1 4.44Å; W136-I186 HydrophobicContact CZ3-CD1 3.68Å; W136-L191 HydrophobicContact CB-CD1 4.24Å; W136-L191 HydrophobicContact CG-CD1 3.92Å | ||
| 137 | H | 90.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | trans | -67.6 | 147.6 | 173.9 | -67.7 | 106.6 | 0 | 0 | 0 | 113.8 | E17 D19 H127 H131 Q139 S140 M204 Y206 | E17-H137 WeakPolarHBondContact CB-ND1 3.5Å; E17-H137 PolarHBondContact O-CE1 3.32Å; E17-H137 IonicContact OE2-CE1 3.96Å; E17-H137 IonicContact OE2-CG 3.77Å; E17-H137 IonicContact OE2-ND1 2.98Å; E17-H137 PolarHBondContact OE2-ND1 3.06Å; D19-H137 IonicContact OD1-CE1 3.5Å; D19-H137 PolarHBondContact OD1-CE1 3.07Å; D19-H137 IonicContact OD1-NE2 2.8Å; D19-H137 IonicContact OD2-CE1 3.38Å; D19-H137 IonicContact OD2-NE2 3.2Å; H127-H137 AromaticContact CE1-CD2 3.63Å; H127-H137 AromaticContact CE1-NE2 3.52Å; H127-H137 AromaticContact NE2-CD2 3.83Å; H127-H137 AromaticContact NE2-NE2 3.28Å; H127-H137 PolarHBondContact NE2-NE2 3.42Å; H131-H137 AromaticContact CE1-CE1 3.72Å; H131-H137 AromaticContact CE1-NE2 3.88Å; H131-H137 AromaticContact NE2-CE1 3.68Å; H131-H137 AromaticContact NE2-NE2 3.66Å; H137-Q139 VanDerWaalsContact C-N 3.33Å; H137-Q139 VanDerWaalsContact CB-CD 3.48Å; H137-Q139 PolarHBondContact O-N 2.52Å; H137-S140 WeakPolarHBondContact O-CB 3.06Å; H137-S140 PolarHBondContact O-N 3.46Å; H137-S140 VanDerWaalsContact O-N 3.08Å; H137-M204 CarbonylContact C-O 3.52Å; H137-M204 WeakPolarHBondContact CA-O 3.38Å; H137-M204 WeakPolarHBondContact CB-O 3.33Å; H137-M204 PolarHBondContact CD2-O 2.8Å; H137-M204 VanDerWaalsContact CD2-O 3.26Å; H137-Y206 AromaticContact CD2-CD1 3.72Å; H137-Y206 AromaticContact CD2-CE1 3.5Å; H137-Y206 VanDerWaalsContact CD2-CE1 3.5Å; H137-Y206 WeakPolarHBondContact CD2-CE1 3.27Å; H137-Y206 AromaticContact CE1-CE1 3.48Å; H137-Y206 VanDerWaalsContact CE1-CE1 3.48Å; H137-Y206 WeakPolarHBondContact CE1-CE1 3.35Å; H137-Y206 AromaticContact CE1-CZ 3.99Å; H137-Y206 AromaticContact CG-CE1 3.87Å; H137-Y206 AromaticContact ND1-CE1 3.86Å; H137-Y206 AromaticContact NE2-CD1 3.82Å; H137-Y206 AromaticContact NE2-CE1 3.21Å; H137-Y206 WeakPolarHBondContact NE2-CE1 3.49Å | ||
| 138 | E | 93.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -71.9 | -24.8 | 179.5 | -167.9 | 69.8 | 176.9 | 0 | 0 | 112.3 | S37 S140 R141 Y198 D199 M204 H205 K243 | S37-E138 WeakPolarHBondContact CB-OE2 3.45Å; S37-E138 PolarHBondContact OG-OE2 2.88Å; E138-S140 PolarHBondContact O-N 2.98Å; E138-R141 VanDerWaalsContact O-CD 3.27Å; E138-R141 WeakPolarHBondContact O-CD 3.09Å; E138-R141 WeakPolarHBondContact O-CG 3.2Å; E138-R141 VanDerWaalsContact OE1-CD 3.28Å; E138-R141 WeakPolarHBondContact OE1-CD 3.38Å; E138-R141 IonicContact OE1-CZ 3.72Å; E138-R141 IonicContact OE1-NE 2.65Å; E138-R141 IonicContact OE1-NH1 3.35Å; E138-R141 PolarHBondContact OE1-NH1 3.15Å; E138-R141 WeakPolarHBondContact OE2-CD 3.37Å; E138-R141 IonicContact OE2-NH1 3.94Å; E138-Y198 HydrophobicContact CG-CE1 4.42Å; E138-Y198 HydrophobicContact CG-CE2 4.39Å; E138-Y198 WeakPolarHBondContact O-CE2 3.04Å; E138-Y198 PolarHBondContact O-OH 3.04Å; E138-D199 HydrophobicContact CG-CB 4.35Å; E138-D199 PolarHBondContact OE1-N 3.2Å; E138-M204 PolarHBondContact N-O 3.1Å; E138-H205 HydrophobicContact CB-CB 4.04Å; E138-K243 IonicContact OE1-NZ 3.54Å; E138-K243 PolarHBondContact OE1-NZ 3.05Å; E138-K243 IonicContact OE2-NZ 2.69Å; E138-K243 PolarHBondContact OE2-NZ 2.87Å |
| 139 | Q | 89.7 | Confident | 90.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -75.8 | -10.4 | 170.8 | 79.3 | -73.6 | -20.3 | 0 | 0 | 113.3 | H137 R141 R144 Y198 Y206 I219 | H137-Q139 VanDerWaalsContact C-N 3.33Å; H137-Q139 VanDerWaalsContact CB-CD 3.48Å; H137-Q139 PolarHBondContact O-N 2.52Å; Q139-R141 VanDerWaalsContact C-N 3.33Å; Q139-R144 WeakPolarHBondContact O-CB 3.13Å; Q139-R144 WeakPolarHBondContact O-CD 3.47Å; Q139-R144 WeakPolarHBondContact O-CG 3.2Å; Q139-R144 PolarHBondContact O-NH1 3.36Å; Q139-Y198 WeakPolarHBondContact CA-OH 3.23Å; Q139-Y206 VanDerWaalsContact CD-CD2 3.43Å; Q139-Y206 HydrophobicContact CG-CD2 3.93Å; Q139-Y206 HydrophobicContact CG-CE2 4.45Å; Q139-Y206 HydrophobicContact CG-CG 4.22Å; Q139-Y206 VanDerWaalsContact NE2-CG 3.26Å; Q139-Y206 VanDerWaalsContact NE2-CZ 3.28Å; Q139-I219 HydrophobicContact CB-CD1 4.13Å; Q139-I219 HydrophobicContact CG-CD1 4.07Å |
| 140 | S | 86.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -93.9 | 1.1 | -175.5 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | E17 H137 E138 K185 I186 | E17-S140 WeakPolarHBondContact OE1-CB 3.35Å; E17-S140 PolarHBondContact OE1-OG 2.75Å; E17-S140 PolarHBondContact OE2-OG 3.49Å; E17-S140 VanDerWaalsContact OE2-OG 3.1Å; H137-S140 WeakPolarHBondContact O-CB 3.06Å; H137-S140 PolarHBondContact O-N 3.46Å; H137-S140 VanDerWaalsContact O-N 3.08Å; E138-S140 PolarHBondContact O-N 2.98Å; S140-K185 VanDerWaalsContact O-CA 3.32Å; S140-K185 WeakPolarHBondContact O-CA 3.04Å; S140-I186 PolarHBondContact O-N 2.94Å; S140-I186 VanDerWaalsContact O-N 3.1Å |
| 141 | R | 84.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | trans | -50.4 | 136.1 | 170.4 | -65.1 | -175.2 | 48.6 | 126.2 | 5.4 | 111.5 | S37 E138 Q139 D143 R144 Y193 E196 Y198 | S37-R141 WeakPolarHBondContact OG-CD 3.2Å; S37-R141 WeakPolarHBondContact OG-CG 3.34Å; S37-R141 PolarHBondContact OG-NH1 3.03Å; E138-R141 VanDerWaalsContact O-CD 3.27Å; E138-R141 WeakPolarHBondContact O-CD 3.09Å; E138-R141 WeakPolarHBondContact O-CG 3.2Å; E138-R141 VanDerWaalsContact OE1-CD 3.28Å; E138-R141 WeakPolarHBondContact OE1-CD 3.38Å; E138-R141 IonicContact OE1-CZ 3.72Å; E138-R141 IonicContact OE1-NE 2.65Å; E138-R141 IonicContact OE1-NH1 3.35Å; E138-R141 PolarHBondContact OE1-NH1 3.15Å; E138-R141 WeakPolarHBondContact OE2-CD 3.37Å; E138-R141 IonicContact OE2-NH1 3.94Å; Q139-R141 VanDerWaalsContact C-N 3.33Å; R141-D143 WeakPolarHBondContact CB-OD1 3.21Å; R141-D143 IonicContact CZ-OD1 3.21Å; R141-D143 IonicContact CZ-OD2 3.52Å; R141-D143 IonicContact NE-OD1 2.88Å; R141-D143 PolarHBondContact NE-OD1 3.26Å; R141-D143 IonicContact NE-OD2 3.88Å; R141-D143 IonicContact NH2-OD1 2.94Å; R141-D143 PolarHBondContact NH2-OD1 3.07Å; R141-D143 IonicContact NH2-OD2 3.31Å; R141-D143 PolarHBondContact NH2-OD2 3.42Å; R141-D143 PolarHBondContact O-N 2.83Å; R141-R144 HydrophobicContact CB-CB 4.09Å; R141-R144 VanDerWaalsContact O-CB 3.26Å; R141-R144 WeakPolarHBondContact O-CB 3.32Å; R141-R144 WeakPolarHBondContact O-CG 3.43Å; R141-R144 PolarHBondContact O-N 3.08Å; R141-Y193 HydrophobicContact CB-CE1 3.6Å; R141-Y193 WeakPolarHBondContact CB-OH 3.38Å; R141-Y193 VanDerWaalsContact CD-CE1 3.48Å; R141-Y193 HydrophobicContact CG-CD1 4.28Å; R141-Y193 HydrophobicContact CG-CE1 3.39Å; R141-E196 PolarHBondContact NH1-O 3.19Å; R141-E196 PolarHBondContact NH2-O 3.2Å; R141-Y198 HydrophobicContact CB-CE2 4.45Å; R141-Y198 VanDerWaalsContact CD-CD2 3.49Å; R141-Y198 HydrophobicContact CG-CE2 4.43Å | ||
| 142 | T | 79.8 | Confident | 90.1 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 17% | 0.172 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.6 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | M34 T35 R36 K185 I186 P188 Y193 | M34-T142 WeakPolarHBondContact O-CB 3.16Å; M34-T142 WeakPolarHBondContact O-CG2 3.49Å; M34-T142 PolarHBondContact O-OG1 2.89Å; T35-T142 VanDerWaalsContact C-OG1 3.27Å; T35-T142 WeakPolarHBondContact CA-OG1 3.21Å; R36-T142 PolarHBondContact N-OG1 3.21Å; R36-T142 VanDerWaalsContact N-OG1 3.14Å; T142-K185 WeakPolarHBondContact O-CE 3.36Å; T142-K185 PolarHBondContact O-NZ 2.86Å; T142-I186 WeakPolarHBondContact CG2-O 3.49Å; T142-P188 HydrophobicContact CG2-CG 4.48Å; T142-Y193 PolarHBondContact N-OH 3.35Å; T142-Y193 PolarHBondContact OG1-OH 2.68Å |
| 143 | D | 83.3 | Confident | 89.9 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.5 | 175.1 | 73.6 | -5.8 | 0 | 0 | 0 | 115.2 | R141 D145 L146 F147 Y193 | R141-D143 WeakPolarHBondContact CB-OD1 3.21Å; R141-D143 IonicContact CZ-OD1 3.21Å; R141-D143 IonicContact CZ-OD2 3.52Å; R141-D143 IonicContact NE-OD1 2.88Å; R141-D143 PolarHBondContact NE-OD1 3.26Å; R141-D143 IonicContact NE-OD2 3.88Å; R141-D143 IonicContact NH2-OD1 2.94Å; R141-D143 PolarHBondContact NH2-OD1 3.07Å; R141-D143 IonicContact NH2-OD2 3.31Å; R141-D143 PolarHBondContact NH2-OD2 3.42Å; R141-D143 PolarHBondContact O-N 2.83Å; D143-D145 PolarHBondContact O-N 3Å; D143-L146 HydrophobicContact CB-CD1 4.36Å; D143-L146 WeakPolarHBondContact O-CB 3.48Å; D143-L146 PolarHBondContact O-N 3.01Å; D143-F147 HydrophobicContact CB-CE2 4.36Å; D143-F147 WeakPolarHBondContact O-CD2 3.5Å; D143-Y193 HydrophobicContact CB-CE2 4.23Å; D143-Y193 VanDerWaalsContact CG-CE2 3.49Å; D143-Y193 VanDerWaalsContact CG-OH 3.22Å; D143-Y193 PolarHBondContact N-OH 3.28Å; D143-Y193 PolarHBondContact OD1-OH 2.83Å; D143-Y193 WeakPolarHBondContact OD2-CE2 3.42Å |
| 144 | R | 89.7 | Confident | 89.7 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -55.6 | -29.4 | -172.4 | 66.2 | 114.4 | -176.8 | -91.9 | 2.1 | 114.1 | Q139 R141 L146 F147 V148 F183 K185 Y198 | Q139-R144 WeakPolarHBondContact O-CB 3.13Å; Q139-R144 WeakPolarHBondContact O-CD 3.47Å; Q139-R144 WeakPolarHBondContact O-CG 3.2Å; Q139-R144 PolarHBondContact O-NH1 3.36Å; R141-R144 HydrophobicContact CB-CB 4.09Å; R141-R144 VanDerWaalsContact O-CB 3.26Å; R141-R144 WeakPolarHBondContact O-CB 3.32Å; R141-R144 WeakPolarHBondContact O-CG 3.43Å; R141-R144 PolarHBondContact O-N 3.08Å; R144-L146 PolarHBondContact O-N 3.4Å; R144-L146 VanDerWaalsContact O-N 3.16Å; R144-F147 CarbonylContact O-C 3.24Å; R144-F147 WeakPolarHBondContact O-CA 3.34Å; R144-F147 PolarHBondContact O-N 3.47Å; R144-V148 HydrophobicContact CB-CG2 4.1Å; R144-V148 WeakPolarHBondContact O-CG2 3.12Å; R144-V148 PolarHBondContact O-N 3.36Å; R144-F183 PolarHBondContact NH1-O 3.3Å; R144-F183 PolarHBondContact NH2-O 3.49Å; R144-K185 HydrophobicContact CG-CG 4.31Å; R144-Y198 HydrophobicContact CB-CE2 3.75Å |
| 145 | D | 91.5 | Very high | 89.3 | Confident | 93 Ų | 93 | 42.8 Ų | 42.8 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -69.9 | -9.9 | -178.9 | -62.2 | -17.8 | 0 | 0 | 0 | 113.3 | D143 F147 V148 K185 | D143-D145 PolarHBondContact O-N 3Å; D145-F147 VanDerWaalsContact C-N 3.3Å; D145-V148 WeakPolarHBondContact CA-O 3.03Å; D145-K185 VanDerWaalsContact CG-CE 3.47Å; D145-K185 VanDerWaalsContact CG-NZ 3.3Å; D145-K185 IonicContact OD1-NZ 2.84Å; D145-K185 WeakPolarHBondContact OD2-CE 3.46Å; D145-K185 IonicContact OD2-NZ 3.89Å; D145-K185 PolarHBondContact OD2-NZ 3.48Å |
| 146 | L | 91.4 | Very high | 88.6 | Confident | 142 Ų | 142 | 44.8 Ų | 44.8 | 74% | 0.743 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -78.1 | -17.2 | 167.6 | -60 | 178.6 | 0 | 0 | 0 | 112.6 | D143 R144 | D143-L146 HydrophobicContact CB-CD1 4.36Å; D143-L146 WeakPolarHBondContact O-CB 3.48Å; D143-L146 PolarHBondContact O-N 3.01Å; R144-L146 PolarHBondContact O-N 3.4Å; R144-L146 VanDerWaalsContact O-N 3.16Å |
| 147 | F | 94.3 | Very high | 87.8 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 25% | 0.25 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -32.5 | -168.4 | -58.9 | -77.5 | 0 | 0 | 0 | 112.5 | D143 R144 D145 Y198 Y200 P222 | D143-F147 HydrophobicContact CB-CE2 4.36Å; D143-F147 WeakPolarHBondContact O-CD2 3.5Å; R144-F147 CarbonylContact O-C 3.24Å; R144-F147 WeakPolarHBondContact O-CA 3.34Å; R144-F147 PolarHBondContact O-N 3.47Å; D145-F147 VanDerWaalsContact C-N 3.3Å; F147-Y198 HydrophobicContact CB-CD1 3.79Å; F147-Y198 HydrophobicContact CB-CD2 3.81Å; F147-Y198 HydrophobicContact CB-CE1 4.15Å; F147-Y198 HydrophobicContact CB-CE2 4.17Å; F147-Y198 HydrophobicContact CB-CG 3.62Å; F147-Y198 HydrophobicContact CD1-CG 4.07Å; F147-Y198 AromaticContact CD2-CD2 3.53Å; F147-Y198 HydrophobicContact CD2-CD2 3.53Å; F147-Y198 HydrophobicContact CD2-CE2 4.42Å; F147-Y198 AromaticContact CD2-CG 3.67Å; F147-Y198 HydrophobicContact CD2-CG 3.67Å; F147-Y198 HydrophobicContact CE2-CD2 4.29Å; F147-Y198 HydrophobicContact CE2-CG 4.36Å; F147-Y198 VanDerWaalsContact CG-CB 3.43Å; F147-Y198 HydrophobicContact CG-CD1 4.11Å; F147-Y198 AromaticContact CG-CD2 3.78Å; F147-Y198 HydrophobicContact CG-CD2 3.78Å; F147-Y198 AromaticContact CG-CG 3.5Å; F147-Y198 HydrophobicContact CG-CG 3.5Å; F147-Y200 WeakPolarHBondContact CA-OH 3.49Å; F147-Y200 HydrophobicContact CB-CE1 4.29Å; F147-Y200 WeakPolarHBondContact CB-OH 3.24Å; F147-Y200 PolarHBondContact O-OH 3.46Å; F147-Y200 VanDerWaalsContact O-OH 3.05Å; F147-P222 WeakPolarHBondContact O-CD 3.07Å; F147-P222 WeakPolarHBondContact O-CG 3.39Å |
| 148 | V | 95.3 | Very high | 86.3 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | trans | -137.3 | 151.5 | 179.8 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | R144 D145 Y198 Y200 I219 E220 A221 | R144-V148 HydrophobicContact CB-CG2 4.1Å; R144-V148 WeakPolarHBondContact O-CG2 3.12Å; R144-V148 PolarHBondContact O-N 3.36Å; D145-V148 WeakPolarHBondContact CA-O 3.03Å; V148-Y198 HydrophobicContact CG1-CE1 4.14Å; V148-Y200 HydrophobicContact CG1-CD1 4.39Å; V148-Y200 HydrophobicContact CG1-CE1 3.88Å; V148-I219 HydrophobicContact CB-CG2 3.69Å; V148-I219 HydrophobicContact CG1-CG2 3.91Å; V148-I219 HydrophobicContact CG2-CG2 4.02Å; V148-E220 CarbonylContact C-O 3.57Å; V148-E220 WeakPolarHBondContact CA-O 3.47Å; V148-A221 HydrophobicContact CG1-CB 4.48Å | ||
| 149 | R | 95.5 | Very high | 84.3 | Confident | 162 Ų | 162 | 57.1 Ų | 57.1 | 61% | 0.611 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.3 | 172.6 | -176 | 176.8 | 179.5 | 164.4 | 0 | 109.7 | R151 E220 | R149-R151 PolarHBondContact O-N 2.92Å; R149-E220 PolarHBondContact N-O 3.17Å; R149-E220 PolarHBondContact O-N 3.36Å |
| 150 | I | 92.3 | Very high | 82.2 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114 | 171.4 | -52.3 | -54 | 0 | 0 | 0 | 109.5 | K152 F183 T218 I219 | I150-K152 VanDerWaalsContact C-N 3.35Å; I150-K152 HydrophobicContact CG2-CG 4.44Å; I150-K152 PolarHBondContact O-N 2.83Å; I150-K152 VanDerWaalsContact O-N 3.11Å; I150-F183 HydrophobicContact CD1-CD1 3.77Å; I150-F183 HydrophobicContact CD1-CE1 4.38Å; I150-F183 HydrophobicContact CG1-CD1 4.41Å; I150-F183 HydrophobicContact CG2-CB 4.18Å; I150-F183 HydrophobicContact CG2-CD1 3.98Å; I150-F183 HydrophobicContact CG2-CD2 4.48Å; I150-F183 HydrophobicContact CG2-CE1 4.49Å; I150-F183 HydrophobicContact CG2-CG 3.96Å; I150-T218 CarbonylContact C-O 3.44Å; I150-T218 WeakPolarHBondContact CA-O 3.42Å; I150-I219 HydrophobicContact CD1-CB 4.48Å; I150-I219 HydrophobicContact CD1-CG1 3.94Å; I150-I219 HydrophobicContact CD1-CG2 4.26Å |
| 151 | R | 92.9 | Very high | 79.9 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | trans | -83 | 78.1 | 176 | -55.7 | -59.9 | -69.9 | -103.5 | -8.1 | 109.6 | R149 E153 N154 D217 T218 E220 | R149-R151 PolarHBondContact O-N 2.92Å; R151-E153 WeakPolarHBondContact CA-OE2 3.45Å; R151-E153 IonicContact CZ-OE1 3.98Å; R151-E153 VanDerWaalsContact CZ-OE1 3.31Å; R151-E153 IonicContact NE-OE1 2.62Å; R151-E153 PolarHBondContact NE-OE1 3.46Å; R151-E153 IonicContact NH2-OE1 3.86Å; R151-E153 PolarHBondContact NH2-OE1 3.46Å; R151-E153 PolarHBondContact O-N 3.13Å; R151-E153 VanDerWaalsContact O-N 3.07Å; R151-N154 HydrophobicContact CB-CB 4.38Å; R151-N154 PolarHBondContact O-N 3.4Å; R151-D217 WeakPolarHBondContact CB-O 3.44Å; R151-T218 PolarHBondContact N-O 2.77Å; R151-E220 WeakPolarHBondContact CD-OE2 3.39Å; R151-E220 HydrophobicContact CG-CG 3.94Å; R151-E220 IonicContact CZ-OE1 3.59Å; R151-E220 IonicContact CZ-OE2 3.86Å; R151-E220 IonicContact NE-OE1 3.42Å; R151-E220 IonicContact NE-OE2 3.94Å; R151-E220 IonicContact NH1-OE1 3.97Å; R151-E220 PolarHBondContact NH1-OE1 3.08Å; R151-E220 IonicContact NH1-OE2 3.83Å; R151-E220 PolarHBondContact NH1-OE2 3.44Å | ||
| 152 | K | 88.4 | Confident | 77.8 | Confident | 138 Ų | 138 | 74.7 Ų | 74.7 | 60% | 0.6 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -51.9 | -33.1 | -177.6 | -54.8 | -169.5 | 177.9 | 178.2 | 0 | 112.4 | I150 N154 V155 M180 | I150-K152 VanDerWaalsContact C-N 3.35Å; I150-K152 HydrophobicContact CG2-CG 4.44Å; I150-K152 PolarHBondContact O-N 2.83Å; I150-K152 VanDerWaalsContact O-N 3.11Å; K152-N154 PolarHBondContact O-N 3.1Å; K152-V155 PolarHBondContact O-N 2.88Å; K152-M180 HydrophobicContact CB-CE 4.15Å; K152-M180 HydrophobicContact CB-SD 3.85Å; K152-M180 HydrophobicContact CD-CE 3.67Å; K152-M180 HydrophobicContact CD-SD 4.46Å; K152-M180 HydrophobicContact CG-CE 3.6Å; K152-M180 HydrophobicContact CG-SD 3.95Å |
| 153 | E | 89.5 | Confident | 75.9 | Confident | 91 Ų | 91 | 83.4 Ų | 83.4 | 43% | 0.425 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -63 | -22.6 | 177.5 | 67.6 | -88.1 | -152.6 | 0 | 0 | 114 | R151 K213 | R151-E153 WeakPolarHBondContact CA-OE2 3.45Å; R151-E153 IonicContact CZ-OE1 3.98Å; R151-E153 VanDerWaalsContact CZ-OE1 3.31Å; R151-E153 IonicContact NE-OE1 2.62Å; R151-E153 PolarHBondContact NE-OE1 3.46Å; R151-E153 IonicContact NH2-OE1 3.86Å; R151-E153 PolarHBondContact NH2-OE1 3.46Å; R151-E153 PolarHBondContact O-N 3.13Å; R151-E153 VanDerWaalsContact O-N 3.07Å; E153-K213 WeakPolarHBondContact O-CE 3.39Å; E153-K213 PolarHBondContact O-NZ 3.01Å |
| 154 | N | 89.3 | Confident | 74.2 | Confident | 18 Ų | 18 | 88.6 Ų | 88.6 | 10% | 0.096 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -95.3 | -10.4 | 178.7 | -67.7 | -25.9 | 0 | 0 | 0 | 112.7 | R151 K152 S212 K213 N214 D217 T218 | R151-N154 HydrophobicContact CB-CB 4.38Å; R151-N154 PolarHBondContact O-N 3.4Å; K152-N154 PolarHBondContact O-N 3.1Å; N154-S212 CarbonylContact O-C 3.42Å; N154-S212 WeakPolarHBondContact O-CA 3.17Å; N154-K213 WeakPolarHBondContact O-CG 3.48Å; N154-K213 PolarHBondContact O-N 3.2Å; N154-N214 PolarHBondContact OD1-ND2 2.78Å; N154-D217 PolarHBondContact ND2-O 3.02Å; N154-T218 HydrophobicContact CB-CG2 3.92Å |
| 155 | V | 80.8 | Confident | 72.1 | Confident | 4 Ų | 4 | 97.1 Ų | 97.1 | 2% | 0.024 | 47% | 0.466 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 138.7 | -178.2 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | K152 S157 M179 M180 F183 F211 T218 | K152-V155 PolarHBondContact O-N 2.88Å; V155-S157 PolarHBondContact O-N 2.97Å; V155-S157 VanDerWaalsContact O-N 3.11Å; V155-M179 HydrophobicContact CG1-CB 3.83Å; V155-M180 HydrophobicContact CB-CG 4.4Å; V155-M180 HydrophobicContact CB-SD 3.78Å; V155-M180 HydrophobicContact CG1-CG 4.1Å; V155-M180 HydrophobicContact CG1-SD 3.92Å; V155-M180 HydrophobicContact CG2-SD 3.75Å; V155-F183 HydrophobicContact CB-CE2 4.35Å; V155-F183 HydrophobicContact CG1-CD2 4.33Å; V155-F183 HydrophobicContact CG1-CE2 3.79Å; V155-F183 HydrophobicContact CG2-CD2 4.13Å; V155-F183 HydrophobicContact CG2-CE2 3.55Å; V155-F183 HydrophobicContact CG2-CZ 4.05Å; V155-F211 HydrophobicContact CG1-CB 4.47Å; V155-T218 HydrophobicContact CG2-CG2 3.81Å |
| 156 | I | 76.5 | Confident | 69.6 | Low | 50 Ų | 50 | 96.8 Ų | 96.8 | 26% | 0.256 | 47% | 0.467 | S | S | . | . | trans | -55.7 | 116.1 | 173.8 | -67.3 | 162.7 | 0 | 0 | 0 | 109.6 | S158 M179 F211 K213 | I156-S158 PolarHBondContact O-N 3.01Å; I156-M179 HydrophobicContact CB-CB 4.2Å; I156-M179 HydrophobicContact CB-CG 3.95Å; I156-M179 HydrophobicContact CG2-CG 4.06Å; I156-M179 VanDerWaalsContact O-CB 3.28Å; I156-M179 WeakPolarHBondContact O-CB 3.18Å; I156-F211 WeakPolarHBondContact CG1-O 3.47Å; I156-F211 PolarHBondContact N-O 3.16Å; I156-K213 HydrophobicContact CB-CB 4.33Å; I156-K213 HydrophobicContact CG1-CB 3.63Å | ||
| 157 | S | 69.6 | Low | 67 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 51% | 0.51 | 47% | 0.472 | S | S | . | . | trans | -75.4 | 115.4 | 170.6 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | V155 K159 | V155-S157 PolarHBondContact O-N 2.97Å; V155-S157 VanDerWaalsContact O-N 3.11Å; S157-K159 PolarHBondContact O-N 2.81Å; S157-K159 WeakPolarHBondContact OG-CG 3.47Å | ||
| 158 | S | 57.9 | Low | 64.2 | Low | 23 Ų | 23 | 102.1 Ų | 102.1 | 16% | 0.161 | 49% | 0.492 | C | S | . | . | trans | -80 | 66.2 | 171.1 | -155.6 | 0 | 0 | 0 | 0 | 109.7 | H13 I156 R160 | H13-S158 WeakPolarHBondContact CE1-CB 3.35Å; H13-S158 PolarHBondContact CE1-OG 2.79Å; H13-S158 PolarHBondContact NE2-OG 2.89Å; I156-S158 PolarHBondContact O-N 3.01Å; S158-R160 PolarHBondContact O-N 3.37Å | ||
| 159 | K | 52.2 | Low | 61.4 | Low | 182 Ų | 182 | 109.6 Ų | 109.6 | 79% | 0.791 | 53% | 0.531 | S | S | * | . | trans | -78.7 | 75.4 | 159.7 | -71.4 | -179.6 | -173.6 | -167.2 | 0 | 106.8 | S157 | S157-K159 PolarHBondContact O-N 2.81Å; S157-K159 WeakPolarHBondContact OG-CG 3.47Å | ||
| 160 | R | 45 | Very low | 58.7 | Low | 144 Ų | 144 | 105 Ų | 105 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | trans | -69 | 128.5 | 149.5 | -76.7 | -166.2 | -174.6 | -167.6 | 1.7 | 105.5 | T10 S158 L162 | T10-R160 PolarHBondContact OG1-NH2 3.38Å; S158-R160 PolarHBondContact O-N 3.37Å; R160-L162 PolarHBondContact O-N 2.72Å | ||
| 161 | P | 38.9 | Very low | 56.2 | Low | 121 Ų | 121 | 109.7 Ų | 109.7 | 79% | 0.786 | 55% | 0.546 | S | S | * | . | trans | -60.7 | 112.2 | 160.6 | 16.5 | -10.9 | 0 | 0 | 0 | 105.2 | R163 | P161-R163 PolarHBondContact O-N 2.9Š| ||
| 162 | L | 39.1 | Very low | 53.8 | Low | 107 Ų | 107 | 114.2 Ų | 114.2 | 56% | 0.56 | 57% | 0.574 | S | S | * | * | trans | -49.2 | 128.8 | 156.5 | -72.4 | 167.7 | 0 | 0 | 0 | 104.8 | R160 | R160-L162 PolarHBondContact O-N 2.72Š| ||
| 163 | R | 41.2 | Very low | 51.6 | Low | 210 Ų | 210 | 115.5 Ų | 115.5 | 79% | 0.792 | 58% | 0.582 | S | S | * | * | trans | -41.1 | 143.7 | 176.4 | -67.9 | 178 | 174.6 | -170.4 | -2.1 | 108.5 | P161 F165 V166 | P161-R163 PolarHBondContact O-N 2.9Å; R163-F165 PolarHBondContact O-N 2.96Å; R163-V166 PolarHBondContact O-N 2.98Å | ||
| 164 | P | 46.9 | Very low | 49.4 | Very low | 138 Ų | 138 | 113.9 Ų | 113.9 | 90% | 0.896 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 5.7 | -170.2 | 22.2 | -32.5 | 0 | 0 | 0 | 115.7 | ||
| 165 | F | 46.2 | Very low | 47.2 | Very low | 198 Ų | 198 | 117.5 Ų | 117.5 | 87% | 0.868 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 7.3 | -176.2 | -110.8 | -89.4 | 0 | 0 | 0 | 115.9 | R163 | R163-F165 PolarHBondContact O-N 2.96Š|
| 166 | V | 38.6 | Very low | 45.4 | Very low | 85 Ų | 85 | 120.2 Ų | 120.2 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | trans | -112.5 | 81.5 | 171.1 | -167.4 | 0 | 0 | 0 | 0 | 109 | R163 L168 | R163-V166 PolarHBondContact O-N 2.98Å; V166-L168 HydrophobicContact CG1-CB 3.9Å; V166-L168 PolarHBondContact O-N 2.61Å | ||
| 167 | H | 36.4 | Very low | 44.1 | Very low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.856 | 62% | 0.622 | S | S | * | * | trans | -77.1 | 46.9 | 168 | -137.3 | -42.5 | 0 | 0 | 0 | 109.8 | ||||
| 168 | L | 35.7 | Very low | 43.6 | Very low | 126 Ų | 126 | 118.1 Ų | 118.1 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | trans | -82.9 | 123.6 | 166.9 | -162.5 | 70.7 | 0 | 0 | 0 | 106.2 | V166 V170 | V166-L168 HydrophobicContact CG1-CB 3.9Å; V166-L168 PolarHBondContact O-N 2.61Å; L168-V170 PolarHBondContact O-N 3.09Å | ||
| 169 | L | 36.2 | Very low | 44.2 | Very low | 164 Ų | 164 | 117.1 Ų | 117.1 | 86% | 0.859 | 60% | 0.597 | S | S | * | * | trans | -60.2 | 73.9 | 174 | -64.9 | 166.4 | 0 | 0 | 0 | 109.6 | ||||
| 170 | V | 39.4 | Very low | 45.2 | Very low | 65 Ų | 65 | 110.8 Ų | 110.8 | 39% | 0.394 | 57% | 0.57 | S | S | . | * | trans | -85.1 | 111 | 160.2 | -175.9 | 0 | 0 | 0 | 0 | 103.9 | L168 L172 V177 | L168-V170 PolarHBondContact O-N 3.09Å; V170-L172 PolarHBondContact O-N 3.45Å; V170-V177 HydrophobicContact CG1-CG2 3.82Å | ||
| 171 | D | 39.5 | Very low | 46.3 | Very low | 119 Ų | 119 | 104 Ų | 104 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | trans | -52.6 | 107 | 179.7 | -153.8 | -18.2 | 0 | 0 | 0 | 108.2 | Q173 D174 | D171-Q173 PolarHBondContact O-N 3.23Å; D171-D174 WeakPolarHBondContact O-CB 3.28Å; D171-D174 PolarHBondContact O-N 2.71Å | ||
| 172 | L | 42.7 | Very low | 48 | Very low | 157 Ų | 157 | 98.5 Ų | 98.5 | 82% | 0.822 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5.7 | -175.7 | -78.4 | 163.4 | 0 | 0 | 0 | 112 | V170 | V170-L172 PolarHBondContact O-N 3.45Š|
| 173 | Q | 41.8 | Very low | 49.9 | Very low | 166 Ų | 166 | 93.6 Ų | 93.6 | 78% | 0.776 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.1 | 170.9 | -143.4 | 82.1 | 10.1 | 0 | 0 | 112.9 | D171 P175 | D171-Q173 PolarHBondContact O-N 3.23Å; Q173-P175 WeakPolarHBondContact O-CD 3.5Å |
| 174 | D | 44.6 | Very low | 51.5 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | trans | -68.1 | 114.1 | -176.1 | -173 | -9.7 | 0 | 0 | 0 | 110.3 | D171 L176 V177 | D171-D174 WeakPolarHBondContact O-CB 3.28Å; D171-D174 PolarHBondContact O-N 2.71Å; D174-L176 PolarHBondContact O-N 3.32Å; D174-L176 WeakPolarHBondContact OD1-CB 3.4Å; D174-L176 WeakPolarHBondContact OD1-CD1 3.39Å; D174-L176 WeakPolarHBondContact OD1-CG 3.49Å; D174-L176 PolarHBondContact OD1-N 3.22Å; D174-V177 HydrophobicContact CB-CG2 4.07Å; D174-V177 PolarHBondContact O-N 2.97Å | ||
| 175 | P | 42.8 | Very low | 53 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -11.6 | 176.7 | 25.6 | -33.3 | 0 | 0 | 0 | 113.6 | Q173 V177 G181 | Q173-P175 WeakPolarHBondContact O-CD 3.5Å; P175-V177 VanDerWaalsContact C-N 3.29Å; P175-G181 PolarHBondContact O-N 3.11Å |
| 176 | L | 43.1 | Very low | 54 | Low | 61 Ų | 61 | 72.5 Ų | 72.5 | 32% | 0.319 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -23.1 | 170.5 | -63.1 | 168.1 | 0 | 0 | 0 | 112.6 | Y25 D174 G178 | Y25-L176 HydrophobicContact CD1-CD2 3.39Å; Y25-L176 HydrophobicContact CE1-CD2 4Å; Y25-L176 HydrophobicContact CG-CD2 3.7Å; D174-L176 PolarHBondContact O-N 3.32Å; D174-L176 WeakPolarHBondContact OD1-CB 3.4Å; D174-L176 WeakPolarHBondContact OD1-CD1 3.39Å; D174-L176 WeakPolarHBondContact OD1-CG 3.49Å; D174-L176 PolarHBondContact OD1-N 3.22Å; L176-G178 PolarHBondContact O-N 2.85Å |
| 177 | V | 48.1 | Very low | 54.9 | Low | 68 Ų | 68 | 69.1 Ų | 69.1 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -84.1 | 87 | -177.6 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | V170 D174 P175 | V170-V177 HydrophobicContact CG1-CG2 3.82Å; D174-V177 HydrophobicContact CB-CG2 4.07Å; D174-V177 PolarHBondContact O-N 2.97Å; P175-V177 VanDerWaalsContact C-N 3.29Å |
| 178 | G | 59 | Low | 55.6 | Low | 12 Ų | 12 | 61.4 Ų | 61.4 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 124 | -159.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L176 M180 G181 | L176-G178 PolarHBondContact O-N 2.85Å; G178-M180 PolarHBondContact O-N 3.14Å; G178-M180 VanDerWaalsContact O-N 3.16Å; G178-G181 PolarHBondContact O-N 2.8Å |
| 179 | M | 70.9 | Confident | 56.4 | Low | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -72.5 | -8.9 | -173.4 | -62.6 | -79.2 | 146.3 | 0 | 0 | 113.1 | H13 V155 I156 G181 Q182 F211 | H13-M179 HydrophobicContact CB-CE 4.35Å; H13-M179 WeakPolarHBondContact CD2-CE 3.38Å; H13-M179 WeakPolarHBondContact CE1-CE 3.14Å; H13-M179 VanDerWaalsContact CG-CE 3.48Å; H13-M179 WeakPolarHBondContact ND1-CE 3.32Å; H13-M179 WeakPolarHBondContact NE2-CE 3.23Å; V155-M179 HydrophobicContact CG1-CB 3.83Å; I156-M179 HydrophobicContact CB-CB 4.2Å; I156-M179 HydrophobicContact CB-CG 3.95Å; I156-M179 HydrophobicContact CG2-CG 4.06Å; I156-M179 VanDerWaalsContact O-CB 3.28Å; I156-M179 WeakPolarHBondContact O-CB 3.18Å; M179-G181 VanDerWaalsContact C-N 3.25Å; M179-G181 PolarHBondContact O-N 2.83Å; M179-Q182 HydrophobicContact CB-CG 4.45Å; M179-Q182 VanDerWaalsContact O-CB 3.23Å; M179-Q182 WeakPolarHBondContact O-CB 3.32Å; M179-Q182 VanDerWaalsContact O-CG 3.32Å; M179-Q182 WeakPolarHBondContact O-CG 3.27Å; M179-Q182 PolarHBondContact O-N 3.39Å; M179-Q182 HydrophobicContact SD-CG 4.03Å; M179-F211 HydrophobicContact CB-CB 4.04Å; M179-F211 HydrophobicContact CB-CD1 4.4Å; M179-F211 HydrophobicContact CB-CG 4.37Å; M179-F211 HydrophobicContact CG-CD1 4.31Å; M179-F211 HydrophobicContact SD-CD1 3.31Å; M179-F211 WeakPolarHBondContact SD-CD1 3.47Å; M179-F211 HydrophobicContact SD-CE1 3.72Å; M179-F211 HydrophobicContact SD-CG 4.15Å |
| 180 | M | 72.9 | Confident | 57 | Low | 48 Ų | 48 | 55.1 Ų | 55.1 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -63.7 | -30.7 | 170.7 | -83.5 | -61 | -50.9 | 0 | 0 | 112.6 | K152 V155 G178 Q182 F183 | K152-M180 HydrophobicContact CB-CE 4.15Å; K152-M180 HydrophobicContact CB-SD 3.85Å; K152-M180 HydrophobicContact CD-CE 3.67Å; K152-M180 HydrophobicContact CD-SD 4.46Å; K152-M180 HydrophobicContact CG-CE 3.6Å; K152-M180 HydrophobicContact CG-SD 3.95Å; V155-M180 HydrophobicContact CB-CG 4.4Å; V155-M180 HydrophobicContact CB-SD 3.78Å; V155-M180 HydrophobicContact CG1-CG 4.1Å; V155-M180 HydrophobicContact CG1-SD 3.92Å; V155-M180 HydrophobicContact CG2-SD 3.75Å; G178-M180 PolarHBondContact O-N 3.14Å; G178-M180 VanDerWaalsContact O-N 3.16Å; M180-Q182 PolarHBondContact O-N 3.48Å; M180-Q182 VanDerWaalsContact O-N 3.15Å; M180-F183 PolarHBondContact O-N 3.4Å |
| 181 | G | 68.6 | Low | 57.7 | Low | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -63.6 | -16.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y25 P175 G178 M179 F183 R184 | Y25-G181 PolarHBondContact OH-O 3.34Å; P175-G181 PolarHBondContact O-N 3.11Å; G178-G181 PolarHBondContact O-N 2.8Å; M179-G181 VanDerWaalsContact C-N 3.25Å; M179-G181 PolarHBondContact O-N 2.83Å; G181-F183 PolarHBondContact O-N 2.93Å; G181-R184 WeakPolarHBondContact O-CB 3.28Å; G181-R184 PolarHBondContact O-N 3.14Å |
| 182 | Q | 73.7 | Confident | 58.7 | Low | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -77.9 | -8.7 | 175.7 | -50.6 | -64.3 | -39.1 | 0 | 0 | 112.7 | K15 M179 M180 F211 | K15-Q182 PolarHBondContact O-NE2 3.16Å; K15-Q182 VanDerWaalsContact O-NE2 3.14Å; M179-Q182 HydrophobicContact CB-CG 4.45Å; M179-Q182 VanDerWaalsContact O-CB 3.23Å; M179-Q182 WeakPolarHBondContact O-CB 3.32Å; M179-Q182 VanDerWaalsContact O-CG 3.32Å; M179-Q182 WeakPolarHBondContact O-CG 3.27Å; M179-Q182 PolarHBondContact O-N 3.39Å; M179-Q182 HydrophobicContact SD-CG 4.03Å; M180-Q182 PolarHBondContact O-N 3.48Å; M180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-F211 HydrophobicContact CB-CD2 3.77Å; Q182-F211 HydrophobicContact CB-CE1 4.38Å; Q182-F211 HydrophobicContact CB-CE2 3.46Å; Q182-F211 VanDerWaalsContact CB-CE2 3.46Å; Q182-F211 HydrophobicContact CB-CG 4.36Å; Q182-F211 HydrophobicContact CB-CZ 3.78Å; Q182-F211 HydrophobicContact CG-CD1 4.31Å; Q182-F211 HydrophobicContact CG-CD2 4.29Å; Q182-F211 HydrophobicContact CG-CE1 3.97Å; Q182-F211 HydrophobicContact CG-CE2 3.98Å; Q182-F211 HydrophobicContact CG-CG 4.44Å; Q182-F211 HydrophobicContact CG-CZ 3.79Å |
| 183 | F | 80.2 | Confident | 59.4 | Low | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -110.6 | 16.3 | 173.4 | -59.2 | -88.4 | 0 | 0 | 0 | 111.1 | R144 I150 V155 M180 G181 Y206 A210 F211 T218 I219 | R144-F183 PolarHBondContact NH1-O 3.3Å; R144-F183 PolarHBondContact NH2-O 3.49Å; I150-F183 HydrophobicContact CD1-CD1 3.77Å; I150-F183 HydrophobicContact CD1-CE1 4.38Å; I150-F183 HydrophobicContact CG1-CD1 4.41Å; I150-F183 HydrophobicContact CG2-CB 4.18Å; I150-F183 HydrophobicContact CG2-CD1 3.98Å; I150-F183 HydrophobicContact CG2-CD2 4.48Å; I150-F183 HydrophobicContact CG2-CE1 4.49Å; I150-F183 HydrophobicContact CG2-CG 3.96Å; V155-F183 HydrophobicContact CB-CE2 4.35Å; V155-F183 HydrophobicContact CG1-CD2 4.33Å; V155-F183 HydrophobicContact CG1-CE2 3.79Å; V155-F183 HydrophobicContact CG2-CD2 4.13Å; V155-F183 HydrophobicContact CG2-CE2 3.55Å; V155-F183 HydrophobicContact CG2-CZ 4.05Å; M180-F183 PolarHBondContact O-N 3.4Å; G181-F183 PolarHBondContact O-N 2.93Å; F183-Y206 HydrophobicContact CE1-CD2 4.42Å; F183-A210 WeakPolarHBondContact CZ-O 3.46Å; F183-F211 HydrophobicContact CE2-CB 4.15Å; F183-F211 AromaticContact CE2-CD2 3.96Å; F183-F211 HydrophobicContact CE2-CD2 3.96Å; F183-F211 HydrophobicContact CE2-CG 4.46Å; F183-F211 HydrophobicContact CZ-CB 4.36Å; F183-F211 AromaticContact CZ-CD2 3.95Å; F183-F211 HydrophobicContact CZ-CD2 3.95Å; F183-T218 HydrophobicContact CZ-CG2 4.48Å; F183-I219 HydrophobicContact CD1-CD1 4.41Å; F183-I219 HydrophobicContact CD1-CG1 4.3Å; F183-I219 HydrophobicContact CE1-CD1 3.92Å; F183-I219 HydrophobicContact CE1-CG1 3.68Å |
| 184 | R | 74.6 | Confident | 60.6 | Low | 43 Ų | 43 | 34.5 Ų | 34.5 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 145 | 177 | -161.7 | -168.1 | 151.1 | 139.6 | 1.8 | 108.8 | Y25 F28 G181 D187 | Y25-R184 PolarHBondContact O-NH1 3.49Å; F28-R184 PolarHBondContact O-NH2 3.22Å; F28-R184 VanDerWaalsContact O-NH2 3.16Å; G181-R184 WeakPolarHBondContact O-CB 3.28Å; G181-R184 PolarHBondContact O-N 3.14Å; R184-D187 IonicContact CZ-OD1 3.32Å; R184-D187 IonicContact NE-OD1 2.99Å; R184-D187 IonicContact NH2-OD1 3.25Å; R184-D187 PolarHBondContact NH2-OD1 2.83Å; R184-D187 IonicContact NH2-OD2 3.8Å; R184-D187 PolarHBondContact NH2-OD2 3.03Å |
| 185 | K | 78.4 | Confident | 62.2 | Low | 59 Ų | 59 | 38.5 Ų | 38.5 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -80 | 139.4 | 164.8 | -64.5 | 169.8 | 175.8 | -167.7 | 0 | 107.1 | S140 T142 R144 D145 | S140-K185 VanDerWaalsContact O-CA 3.32Å; S140-K185 WeakPolarHBondContact O-CA 3.04Å; T142-K185 WeakPolarHBondContact O-CE 3.36Å; T142-K185 PolarHBondContact O-NZ 2.86Å; R144-K185 HydrophobicContact CG-CG 4.31Å; D145-K185 VanDerWaalsContact CG-CE 3.47Å; D145-K185 VanDerWaalsContact CG-NZ 3.3Å; D145-K185 IonicContact OD1-NZ 2.84Å; D145-K185 WeakPolarHBondContact OD2-CE 3.46Å; D145-K185 IonicContact OD2-NZ 3.89Å; D145-K185 PolarHBondContact OD2-NZ 3.48Å |
| 186 | I | 67.8 | Low | 64.1 | Low | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 144.3 | 172.3 | -58.3 | -75 | 0 | 0 | 0 | 108.9 | F16 F28 W136 S140 T142 L191 | F16-I186 HydrophobicContact CE1-CD1 3.42Å; F16-I186 VanDerWaalsContact CE1-CD1 3.42Å; F16-I186 HydrophobicContact CZ-CD1 3.42Å; F16-I186 VanDerWaalsContact CZ-CD1 3.42Å; F28-I186 HydrophobicContact CD1-CG2 4.46Å; F28-I186 HydrophobicContact CE1-CD1 4.21Å; F28-I186 HydrophobicContact CE1-CG2 3.81Å; F28-I186 HydrophobicContact CZ-CD1 3.85Å; F28-I186 HydrophobicContact CZ-CG2 4.45Å; W136-I186 HydrophobicContact CB-CG1 4.33Å; W136-I186 HydrophobicContact CD2-CD1 3.76Å; W136-I186 HydrophobicContact CD2-CG1 3.91Å; W136-I186 HydrophobicContact CE3-CD1 3.45Å; W136-I186 VanDerWaalsContact CE3-CD1 3.45Å; W136-I186 HydrophobicContact CE3-CG1 4.02Å; W136-I186 HydrophobicContact CG-CD1 4.42Å; W136-I186 HydrophobicContact CG-CG1 4.04Å; W136-I186 HydrophobicContact CH2-CD1 4.18Å; W136-I186 HydrophobicContact CZ2-CD1 4.44Å; W136-I186 HydrophobicContact CZ3-CD1 3.68Å; S140-I186 PolarHBondContact O-N 2.94Å; S140-I186 VanDerWaalsContact O-N 3.1Å; T142-I186 WeakPolarHBondContact CG2-O 3.49Å; I186-L191 HydrophobicContact CB-CD1 3.2Å; I186-L191 HydrophobicContact CB-CG 4.38Å; I186-L191 HydrophobicContact CG1-CD1 3.63Å; I186-L191 HydrophobicContact CG2-CB 4.11Å; I186-L191 HydrophobicContact CG2-CD1 3.36Å; I186-L191 HydrophobicContact CG2-CG 4.09Å |
| 187 | D | 56.3 | Low | 66.4 | Low | 14 Ų | 14 | 35.5 Ų | 35.5 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 148.8 | -175.6 | -72 | 4 | 0 | 0 | 0 | 112.8 | F28 R184 P189 Y190 | F28-D187 WeakPolarHBondContact CA-OD2 3.48Å; F28-D187 HydrophobicContact CB-CB 4.32Å; F28-D187 VanDerWaalsContact CB-OD2 3.23Å; F28-D187 WeakPolarHBondContact CB-OD2 3.25Å; F28-D187 HydrophobicContact CD1-CB 4.1Å; F28-D187 VanDerWaalsContact O-OD2 3.11Å; R184-D187 IonicContact CZ-OD1 3.32Å; R184-D187 IonicContact NE-OD1 2.99Å; R184-D187 IonicContact NH2-OD1 3.25Å; R184-D187 PolarHBondContact NH2-OD1 2.83Å; R184-D187 IonicContact NH2-OD2 3.8Å; R184-D187 PolarHBondContact NH2-OD2 3.03Å; D187-P189 WeakPolarHBondContact O-CD 3.22Å; D187-Y190 HydrophobicContact CB-CD2 4.34Å; D187-Y190 PolarHBondContact O-N 3.48Å |
| 188 | P | 51.9 | Low | 68.5 | Low | 24 Ų | 24 | 32.6 Ų | 32.6 | 16% | 0.156 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -58.9 | -30.1 | -171.8 | -17.6 | 28.5 | 0 | 0 | 0 | 118 | G32 M34 T142 Y190 | G32-P188 VanDerWaalsContact O-CG 3.32Å; G32-P188 WeakPolarHBondContact O-CG 3.45Å; M34-P188 HydrophobicContact CB-CB 3.73Å; T142-P188 HydrophobicContact CG2-CG 4.48Å; P188-Y190 PolarHBondContact O-N 2.88Å |
| 189 | P | 51.3 | Low | 70.2 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 41% | 0.409 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -69.1 | -20 | 179.5 | 24.2 | -31.1 | 0 | 0 | 0 | 113.1 | R40 D187 | R40-P189 WeakPolarHBondContact CD-O 3.33Å; D187-P189 WeakPolarHBondContact O-CD 3.22Å |
| 190 | Y | 50.5 | Low | 71.4 | Confident | 94 Ų | 94 | 33.7 Ų | 33.7 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -93.5 | 0.2 | -172.5 | -63.9 | -69.6 | 0 | 0 | 0 | 114 | D27 F28 V39 R40 D187 P188 | D27-Y190 WeakPolarHBondContact O-CE2 3.17Å; D27-Y190 PolarHBondContact O-OH 2.94Å; F28-Y190 AromaticContact CD1-CD2 3.62Å; F28-Y190 HydrophobicContact CD1-CD2 3.62Å; F28-Y190 AromaticContact CD1-CE2 3.81Å; F28-Y190 HydrophobicContact CD1-CE2 3.81Å; F28-Y190 AromaticContact CE1-CD2 3.81Å; F28-Y190 HydrophobicContact CE1-CD2 3.81Å; F28-Y190 HydrophobicContact CE1-CE2 4.29Å; F28-Y190 HydrophobicContact CE1-CG 4.28Å; V39-Y190 CarbonylContact C-O 3.54Å; V39-Y190 WeakPolarHBondContact CA-O 3.32Å; R40-Y190 PolarHBondContact N-O 3.21Å; D187-Y190 HydrophobicContact CB-CD2 4.34Å; D187-Y190 PolarHBondContact O-N 3.48Å; P188-Y190 PolarHBondContact O-N 2.88Å |
| 191 | L | 54.1 | Low | 72.5 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 133 | -151.3 | -141.2 | 172.9 | 0 | 0 | 0 | 115.9 | R36 S38 W136 I186 | R36-L191 HydrophobicContact CB-CD2 3.79Å; R36-L191 WeakPolarHBondContact CB-O 3.47Å; R36-L191 WeakPolarHBondContact O-CD2 3.49Å; S38-L191 VanDerWaalsContact N-CD2 3.27Å; S38-L191 CarbonylContact O-C 3.56Å; S38-L191 VanDerWaalsContact O-C 3.32Å; S38-L191 WeakPolarHBondContact O-CA 3.46Å; S38-L191 WeakPolarHBondContact O-CD2 3.34Å; S38-L191 WeakPolarHBondContact O-CG 3.48Å; W136-L191 HydrophobicContact CB-CD1 4.24Å; W136-L191 HydrophobicContact CG-CD1 3.92Å; I186-L191 HydrophobicContact CB-CD1 3.2Å; I186-L191 HydrophobicContact CB-CG 4.38Å; I186-L191 HydrophobicContact CG1-CD1 3.63Å; I186-L191 HydrophobicContact CG2-CB 4.11Å; I186-L191 HydrophobicContact CG2-CD1 3.36Å; I186-L191 HydrophobicContact CG2-CG 4.09Å |
| 192 | D | 59.5 | Low | 73.8 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.9 | -179.5 | -154.8 | -34.2 | 0 | 0 | 0 | 117.2 | R36 S37 S38 L194 | R36-D192 VanDerWaalsContact CB-N 3.34Å; R36-D192 VanDerWaalsContact CD-OD1 3.27Å; R36-D192 WeakPolarHBondContact CD-OD1 3.45Å; R36-D192 IonicContact CZ-OD1 2.72Å; R36-D192 IonicContact NE-OD1 3.79Å; R36-D192 VanDerWaalsContact NH1-CG 3.27Å; R36-D192 IonicContact NH1-OD1 2.9Å; R36-D192 PolarHBondContact NH1-OD1 3.19Å; R36-D192 IonicContact NH1-OD2 3.86Å; R36-D192 PolarHBondContact NH1-OD2 2.97Å; S37-D192 CarbonylContact C-O 3.39Å; S37-D192 PolarHBondContact N-O 2.66Å; S37-D192 VanDerWaalsContact N-O 3.15Å; S38-D192 PolarHBondContact N-O 3.08Å; S38-D192 PolarHBondContact O-N 2.96Å; S38-D192 PolarHBondContact OG-O 2.85Å; D192-L194 HydrophobicContact CB-CD2 4.24Å; D192-L194 HydrophobicContact CB-CG 4.49Å; D192-L194 PolarHBondContact OD1-N 3.31Å |
| 193 | Y | 58.3 | Low | 74.9 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | trans | -96.1 | -16.4 | -177.2 | -74.8 | -42.3 | 0 | 0 | 0 | 108.6 | T35 R36 S37 R141 T142 D143 N195 E196 | T35-Y193 VanDerWaalsContact C-CE2 3.5Å; T35-Y193 HydrophobicContact CG2-CE2 3.89Å; R36-Y193 VanDerWaalsContact CA-CD2 3.42Å; R36-Y193 WeakPolarHBondContact CA-OH 3.29Å; R36-Y193 HydrophobicContact CB-CD1 4.07Å; R36-Y193 HydrophobicContact CB-CD2 3.97Å; R36-Y193 HydrophobicContact CB-CE1 4.28Å; R36-Y193 HydrophobicContact CB-CE2 4.26Å; R36-Y193 HydrophobicContact CB-CG 3.81Å; R36-Y193 VanDerWaalsContact CD-N 3.25Å; R36-Y193 VanDerWaalsContact CG-CB 3.48Å; R36-Y193 HydrophobicContact CG-CD1 4.2Å; R36-Y193 HydrophobicContact CG-CD2 3.34Å; R36-Y193 HydrophobicContact CG-CE2 3.99Å; R36-Y193 HydrophobicContact CG-CG 3.41Å; R36-Y193 VanDerWaalsContact CG-CG 3.41Å; R36-Y193 PolarHBondContact N-OH 3.15Å; R36-Y193 WeakPolarHBondContact O-CE1 3.36Å; R36-Y193 PolarHBondContact O-OH 2.98Å; S37-Y193 VanDerWaalsContact OG-CD1 3.28Å; S37-Y193 WeakPolarHBondContact OG-CD1 3.23Å; S37-Y193 WeakPolarHBondContact OG-CE1 3.29Å; R141-Y193 HydrophobicContact CB-CE1 3.6Å; R141-Y193 WeakPolarHBondContact CB-OH 3.38Å; R141-Y193 VanDerWaalsContact CD-CE1 3.48Å; R141-Y193 HydrophobicContact CG-CD1 4.28Å; R141-Y193 HydrophobicContact CG-CE1 3.39Å; T142-Y193 PolarHBondContact N-OH 3.35Å; T142-Y193 PolarHBondContact OG1-OH 2.68Å; D143-Y193 HydrophobicContact CB-CE2 4.23Å; D143-Y193 VanDerWaalsContact CG-CE2 3.49Å; D143-Y193 VanDerWaalsContact CG-OH 3.22Å; D143-Y193 PolarHBondContact N-OH 3.28Å; D143-Y193 PolarHBondContact OD1-OH 2.83Å; D143-Y193 WeakPolarHBondContact OD2-CE2 3.42Å; Y193-N195 PolarHBondContact O-N 3.11Å; Y193-N195 VanDerWaalsContact O-N 3.15Å; Y193-E196 PolarHBondContact O-N 2.91Å; Y193-E196 VanDerWaalsContact O-N 3.08Å | ||
| 194 | L | 67.3 | Low | 75.6 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 35.8 | 179.8 | -52.7 | 166.5 | 0 | 0 | 0 | 111.8 | D192 E196 K243 K246 L247 | D192-L194 HydrophobicContact CB-CD2 4.24Å; D192-L194 HydrophobicContact CB-CG 4.49Å; D192-L194 PolarHBondContact OD1-N 3.31Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.25Å; L194-K243 HydrophobicContact CD1-CB 4.09Å; L194-K243 WeakPolarHBondContact CD1-O 3.44Å; L194-K246 HydrophobicContact CB-CB 3.92Å; L194-K246 HydrophobicContact CB-CD 3.83Å; L194-K246 HydrophobicContact CD1-CB 4.01Å; L194-K246 HydrophobicContact CD2-CB 4.37Å; L194-K246 HydrophobicContact CG-CB 4.33Å; L194-K246 WeakPolarHBondContact O-CD 3.4Å; L194-K246 PolarHBondContact O-NZ 3.07Å; L194-L247 HydrophobicContact CD1-CB 3.74Å; L194-L247 HydrophobicContact CD1-CD1 4.33Å |
| 195 | N | 76.7 | Confident | 76.6 | Confident | 140 Ų | 140 | 36 Ų | 36 | 75% | 0.749 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 34.3 | -178.7 | -153.6 | 40.3 | 0 | 0 | 0 | 114.3 | Y193 | Y193-N195 PolarHBondContact O-N 3.11Å; Y193-N195 VanDerWaalsContact O-N 3.15Å |
| 196 | E | 84.1 | Confident | 77.2 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | trans | -107.6 | 139.9 | 174.7 | -66.2 | -69.7 | 158.7 | 0 | 0 | 112.1 | R141 Y193 L194 R242 K243 K246 | R141-E196 PolarHBondContact NH1-O 3.19Å; R141-E196 PolarHBondContact NH2-O 3.2Å; Y193-E196 PolarHBondContact O-N 2.91Å; Y193-E196 VanDerWaalsContact O-N 3.08Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.25Å; E196-R242 IonicContact OE1-CZ 3.62Å; E196-R242 IonicContact OE1-NE 3.63Å; E196-R242 PolarHBondContact OE1-NE 2.87Å; E196-R242 IonicContact OE2-CZ 2.98Å; E196-R242 IonicContact OE2-NE 3.55Å; E196-R242 PolarHBondContact OE2-NE 2.89Å; E196-R242 IonicContact OE2-NH2 2.73Å; E196-R242 PolarHBondContact OE2-NH2 3.22Å; E196-K243 HydrophobicContact CB-CG 4.11Å; E196-K243 HydrophobicContact CG-CG 3.83Å; E196-K246 IonicContact OE1-NZ 3.55Å; E196-K246 PolarHBondContact OE1-NZ 2.97Å | ||
| 197 | S | 90.3 | Very high | 78.4 | Confident | 70 Ų | 70 | 36 Ų | 36 | 49% | 0.49 | 18% | 0.182 | S | C | . | . | trans | -69.4 | 160.2 | 174 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | K239 | S197-K239 PolarHBondContact O-NZ 3.08Å; S197-K239 WeakPolarHBondContact OG-CE 3.38Å; S197-K239 PolarHBondContact OG-NZ 2.68Å | ||
| 198 | Y | 91.7 | Very high | 80.2 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | trans | -51.8 | 139.7 | 176.7 | -164.2 | -84.2 | 0 | 0 | 0 | 111.8 | E138 Q139 R141 R144 F147 V148 Y200 H205 K239 | E138-Y198 HydrophobicContact CG-CE1 4.42Å; E138-Y198 HydrophobicContact CG-CE2 4.39Å; E138-Y198 WeakPolarHBondContact O-CE2 3.04Å; E138-Y198 PolarHBondContact O-OH 3.04Å; Q139-Y198 WeakPolarHBondContact CA-OH 3.23Å; R141-Y198 HydrophobicContact CB-CE2 4.45Å; R141-Y198 VanDerWaalsContact CD-CD2 3.49Å; R141-Y198 HydrophobicContact CG-CE2 4.43Å; R144-Y198 HydrophobicContact CB-CE2 3.75Å; F147-Y198 HydrophobicContact CB-CD1 3.79Å; F147-Y198 HydrophobicContact CB-CD2 3.81Å; F147-Y198 HydrophobicContact CB-CE1 4.15Å; F147-Y198 HydrophobicContact CB-CE2 4.17Å; F147-Y198 HydrophobicContact CB-CG 3.62Å; F147-Y198 HydrophobicContact CD1-CG 4.07Å; F147-Y198 AromaticContact CD2-CD2 3.53Å; F147-Y198 HydrophobicContact CD2-CD2 3.53Å; F147-Y198 HydrophobicContact CD2-CE2 4.42Å; F147-Y198 AromaticContact CD2-CG 3.67Å; F147-Y198 HydrophobicContact CD2-CG 3.67Å; F147-Y198 HydrophobicContact CE2-CD2 4.29Å; F147-Y198 HydrophobicContact CE2-CG 4.36Å; F147-Y198 VanDerWaalsContact CG-CB 3.43Å; F147-Y198 HydrophobicContact CG-CD1 4.11Å; F147-Y198 AromaticContact CG-CD2 3.78Å; F147-Y198 HydrophobicContact CG-CD2 3.78Å; F147-Y198 AromaticContact CG-CG 3.5Å; F147-Y198 HydrophobicContact CG-CG 3.5Å; V148-Y198 HydrophobicContact CG1-CE1 4.14Å; Y198-Y200 HydrophobicContact CD1-CD1 4.05Å; Y198-Y200 HydrophobicContact CD1-CD2 4.36Å; Y198-Y200 AromaticContact CD1-CE1 3.95Å; Y198-Y200 HydrophobicContact CD1-CE1 3.95Å; Y198-Y200 HydrophobicContact CD1-CE2 4.27Å; Y198-Y200 HydrophobicContact CD1-CG 4.27Å; Y198-Y200 AromaticContact CE1-CD1 3.82Å; Y198-Y200 HydrophobicContact CE1-CD1 3.82Å; Y198-Y200 AromaticContact CE1-CE1 3.88Å; Y198-Y200 HydrophobicContact CE1-CE1 3.88Å; Y198-Y200 HydrophobicContact CE1-CG 4.36Å; Y198-H205 AromaticContact CE1-CD2 3.64Å; Y198-H205 AromaticContact CE1-NE2 3.47Å; Y198-H205 WeakPolarHBondContact CE1-NE2 3.24Å; Y198-H205 AromaticContact CZ-CD2 3.76Å; Y198-H205 AromaticContact CZ-NE2 3.47Å; Y198-H205 PolarHBondContact OH-CD2 3.5Å; Y198-H205 VanDerWaalsContact OH-CD2 3.28Å; Y198-H205 PolarHBondContact OH-NE2 2.81Å; Y198-K239 PolarHBondContact O-NZ 2.64Å | ||
| 199 | D | 95.3 | Very high | 82.2 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -121.8 | 97.7 | -175.7 | -171.2 | 15 | 0 | 0 | 0 | 114 | E138 Y201 S202 S237 K239 | E138-D199 HydrophobicContact CG-CB 4.35Å; E138-D199 PolarHBondContact OE1-N 3.2Å; D199-Y201 PolarHBondContact O-N 2.04Å; D199-Y201 VanDerWaalsContact O-N 3.16Å; D199-Y201 PolarHBondContact OD1-N 2.88Å; D199-S202 VanDerWaalsContact CG-N 3.31Å; D199-S202 WeakPolarHBondContact O-CB 3.46Å; D199-S202 PolarHBondContact O-N 2.99Å; D199-S202 PolarHBondContact OD1-N 3.15Å; D199-S202 WeakPolarHBondContact OD2-CA 3.47Å; D199-S202 WeakPolarHBondContact OD2-CB 3.47Å; D199-S202 PolarHBondContact OD2-N 3.39Å; D199-S237 WeakPolarHBondContact OD2-CB 3.43Å; D199-S237 PolarHBondContact OD2-OG 3.29Å; D199-K239 HydrophobicContact CB-CB 4.25Å; D199-K239 HydrophobicContact CB-CD 3.63Å | ||
| 200 | Y | 95.9 | Very high | 83.8 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.4 | 173.9 | -56.8 | -79.4 | 0 | 0 | 0 | 113.8 | F147 V148 Y198 A221 P222 L226 I230 | F147-Y200 WeakPolarHBondContact CA-OH 3.49Å; F147-Y200 HydrophobicContact CB-CE1 4.29Å; F147-Y200 WeakPolarHBondContact CB-OH 3.24Å; F147-Y200 PolarHBondContact O-OH 3.46Å; F147-Y200 VanDerWaalsContact O-OH 3.05Å; V148-Y200 HydrophobicContact CG1-CD1 4.39Å; V148-Y200 HydrophobicContact CG1-CE1 3.88Å; Y198-Y200 HydrophobicContact CD1-CD1 4.05Å; Y198-Y200 HydrophobicContact CD1-CD2 4.36Å; Y198-Y200 AromaticContact CD1-CE1 3.95Å; Y198-Y200 HydrophobicContact CD1-CE1 3.95Å; Y198-Y200 HydrophobicContact CD1-CE2 4.27Å; Y198-Y200 HydrophobicContact CD1-CG 4.27Å; Y198-Y200 AromaticContact CE1-CD1 3.82Å; Y198-Y200 HydrophobicContact CE1-CD1 3.82Å; Y198-Y200 AromaticContact CE1-CE1 3.88Å; Y198-Y200 HydrophobicContact CE1-CE1 3.88Å; Y198-Y200 HydrophobicContact CE1-CG 4.36Å; Y200-A221 HydrophobicContact CD1-CB 3.99Å; Y200-A221 HydrophobicContact CE1-CB 3.71Å; Y200-P222 VanDerWaalsContact OH-CD 3.32Å; Y200-P222 WeakPolarHBondContact OH-CD 3.41Å; Y200-P222 WeakPolarHBondContact OH-CG 3.28Å; Y200-L226 HydrophobicContact CD2-CD1 4.27Å; Y200-L226 HydrophobicContact CD2-CD2 4.04Å; Y200-L226 HydrophobicContact CE2-CD1 4.04Å; Y200-L226 HydrophobicContact CG-CD2 4.15Å; Y200-I230 HydrophobicContact CD1-CG2 3.91Å; Y200-I230 HydrophobicContact CG-CG2 4.42Å; Y200-I230 WeakPolarHBondContact O-CA 3.15Å; Y200-I230 WeakPolarHBondContact O-CG2 3.48Å |
| 201 | Y | 96.5 | Very high | 85.4 | Confident | 131 Ų | 131 | 35.1 Ų | 35.1 | 51% | 0.514 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 5.3 | -179.7 | -57.5 | -83.8 | 0 | 0 | 0 | 112.6 | D199 I203 V229 A233 | D199-Y201 PolarHBondContact O-N 2.04Å; D199-Y201 VanDerWaalsContact O-N 3.16Å; D199-Y201 PolarHBondContact OD1-N 2.88Å; Y201-I203 PolarHBondContact O-N 3.49Å; Y201-V229 HydrophobicContact CD1-CB 4.19Å; Y201-V229 HydrophobicContact CD1-CG2 4.13Å; Y201-V229 HydrophobicContact CE1-CB 3.79Å; Y201-V229 HydrophobicContact CE1-CG1 4.05Å; Y201-V229 HydrophobicContact CE1-CG2 3.61Å; Y201-A233 WeakPolarHBondContact O-CB 3.35Å |
| 202 | S | 96.5 | Very high | 87 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | trans | -61.4 | 139 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | D199 M204 H205 D240 | D199-S202 VanDerWaalsContact CG-N 3.31Å; D199-S202 WeakPolarHBondContact O-CB 3.46Å; D199-S202 PolarHBondContact O-N 2.99Å; D199-S202 PolarHBondContact OD1-N 3.15Å; D199-S202 WeakPolarHBondContact OD2-CA 3.47Å; D199-S202 WeakPolarHBondContact OD2-CB 3.47Å; D199-S202 PolarHBondContact OD2-N 3.39Å; S202-M204 PolarHBondContact O-N 2.97Å; S202-M204 WeakPolarHBondContact OG-CB 3.42Å; S202-M204 PolarHBondContact OG-N 3.01Å; S202-H205 WeakPolarHBondContact O-CB 3.36Å; S202-H205 PolarHBondContact O-N 3.18Å; S202-H205 VanDerWaalsContact O-N 3.1Å; S202-D240 WeakPolarHBondContact CA-OD2 2.98Å; S202-D240 WeakPolarHBondContact CB-OD1 3.48Å; S202-D240 PolarHBondContact OG-OD1 3.2Å; S202-D240 PolarHBondContact OG-OD2 3.02Å | ||
| 203 | I | 95.9 | Very high | 88.1 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.8 | 170.4 | -157.2 | 176.6 | 0 | 0 | 0 | 111.7 | E123 V126 H127 L130 Y201 H205 A233 M236 D240 | E123-I203 HydrophobicContact CB-CD1 4.08Å; E123-I203 VanDerWaalsContact O-CD1 3.24Å; E123-I203 WeakPolarHBondContact O-CD1 3.4Å; V126-I203 HydrophobicContact CB-CD1 3.92Å; V126-I203 HydrophobicContact CG1-CD1 3.76Å; H127-I203 PolarHBondContact CE1-O 2.83Å; H127-I203 PolarHBondContact ND1-O 2.88Å; L130-I203 HydrophobicContact CD1-CG2 3.34Å; Y201-I203 PolarHBondContact O-N 3.49Å; I203-H205 VanDerWaalsContact C-N 3.31Å; I203-A233 HydrophobicContact CB-CB 4.24Å; I203-A233 HydrophobicContact CG1-CB 4.34Å; I203-M236 HydrophobicContact CG2-CG 4.42Å; I203-D240 PolarHBondContact N-OD2 3.45Å |
| 204 | M | 95.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 7.4 | 176.5 | -52.5 | -51.3 | -63.8 | 0 | 0 | 113 | H127 L130 H131 F135 H137 E138 S202 | H127-M204 HydrophobicContact CB-SD 4.49Å; L130-M204 HydrophobicContact CB-CE 4.2Å; L130-M204 HydrophobicContact CB-SD 3.55Å; L130-M204 VanDerWaalsContact CB-SD 3.55Å; L130-M204 HydrophobicContact CD1-CG 4.22Å; L130-M204 HydrophobicContact CD1-SD 3.68Å; L130-M204 HydrophobicContact CG-SD 4.29Å; H131-M204 WeakPolarHBondContact CE1-CE 3.43Å; H131-M204 WeakPolarHBondContact ND1-CE 3.27Å; F135-M204 HydrophobicContact CB-CE 4.28Å; F135-M204 HydrophobicContact CB-CG 4.36Å; H137-M204 CarbonylContact C-O 3.52Å; H137-M204 WeakPolarHBondContact CA-O 3.38Å; H137-M204 WeakPolarHBondContact CB-O 3.33Å; H137-M204 PolarHBondContact CD2-O 2.8Å; H137-M204 VanDerWaalsContact CD2-O 3.26Å; E138-M204 PolarHBondContact N-O 3.1Å; S202-M204 PolarHBondContact O-N 2.97Å; S202-M204 WeakPolarHBondContact OG-CB 3.42Å; S202-M204 PolarHBondContact OG-N 3.01Å |
| 205 | H | 95.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -94.5 | 135 | 178.1 | -161.4 | -56.4 | 0 | 0 | 0 | 111.2 | E138 Y198 S202 I203 G231 | E138-H205 HydrophobicContact CB-CB 4.04Å; Y198-H205 AromaticContact CE1-CD2 3.64Å; Y198-H205 AromaticContact CE1-NE2 3.47Å; Y198-H205 WeakPolarHBondContact CE1-NE2 3.24Å; Y198-H205 AromaticContact CZ-CD2 3.76Å; Y198-H205 AromaticContact CZ-NE2 3.47Å; Y198-H205 PolarHBondContact OH-CD2 3.5Å; Y198-H205 VanDerWaalsContact OH-CD2 3.28Å; Y198-H205 PolarHBondContact OH-NE2 2.81Å; S202-H205 WeakPolarHBondContact O-CB 3.36Å; S202-H205 PolarHBondContact O-N 3.18Å; S202-H205 VanDerWaalsContact O-N 3.1Å; I203-H205 VanDerWaalsContact C-N 3.31Å; H205-G231 WeakPolarHBondContact O-CA 3.3Å; H205-G231 PolarHBondContact O-N 3.11Å |
| 206 | Y | 91.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 8% | 0.078 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 154.1 | 170.1 | -81.1 | -0.8 | 0 | 0 | 0 | 114.7 | E17 H137 Q139 F183 A210 F211 I219 I230 G231 | E17-Y206 WeakPolarHBondContact CA-OH 3.28Å; E17-Y206 VanDerWaalsContact CB-OH 3.23Å; E17-Y206 WeakPolarHBondContact CB-OH 3.38Å; E17-Y206 PolarHBondContact O-OH 2.92Å; H137-Y206 AromaticContact CD2-CD1 3.72Å; H137-Y206 AromaticContact CD2-CE1 3.5Å; H137-Y206 VanDerWaalsContact CD2-CE1 3.5Å; H137-Y206 WeakPolarHBondContact CD2-CE1 3.27Å; H137-Y206 AromaticContact CE1-CE1 3.48Å; H137-Y206 VanDerWaalsContact CE1-CE1 3.48Å; H137-Y206 WeakPolarHBondContact CE1-CE1 3.35Å; H137-Y206 AromaticContact CE1-CZ 3.99Å; H137-Y206 AromaticContact CG-CE1 3.87Å; H137-Y206 AromaticContact ND1-CE1 3.86Å; H137-Y206 AromaticContact NE2-CD1 3.82Å; H137-Y206 AromaticContact NE2-CE1 3.21Å; H137-Y206 WeakPolarHBondContact NE2-CE1 3.49Å; Q139-Y206 VanDerWaalsContact CD-CD2 3.43Å; Q139-Y206 HydrophobicContact CG-CD2 3.93Å; Q139-Y206 HydrophobicContact CG-CE2 4.45Å; Q139-Y206 HydrophobicContact CG-CG 4.22Å; Q139-Y206 VanDerWaalsContact NE2-CG 3.26Å; Q139-Y206 VanDerWaalsContact NE2-CZ 3.28Å; F183-Y206 HydrophobicContact CE1-CD2 4.42Å; Y206-A210 HydrophobicContact CD2-CB 3.71Å; Y206-A210 HydrophobicContact CE2-CB 4.41Å; Y206-A210 HydrophobicContact CG-CB 4.03Å; Y206-F211 HydrophobicContact CD2-CE2 4.34Å; Y206-F211 HydrophobicContact CE2-CD2 4.27Å; Y206-F211 AromaticContact CE2-CE2 3.56Å; Y206-F211 HydrophobicContact CE2-CE2 3.56Å; Y206-F211 AromaticContact CZ-CE2 3.86Å; Y206-I219 HydrophobicContact CD2-CD1 4.2Å; Y206-I219 HydrophobicContact CG-CD1 4.46Å; Y206-I230 CarbonylContact O-C 3.6Å; Y206-G231 PolarHBondContact O-N 2.75Å |
| 207 | D | 93.1 | Very high | 92 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 21% | 0.214 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 151.5 | 165.4 | -176.6 | 91.1 | 0 | 0 | 0 | 111.3 | K209 A210 K232 | D207-K209 PolarHBondContact O-N 3.41Å; D207-K209 WeakPolarHBondContact OD2-CB 3.44Å; D207-K209 PolarHBondContact OD2-N 3.12Å; D207-A210 WeakPolarHBondContact O-CB 3.25Å; D207-A210 PolarHBondContact O-N 2.96Å; D207-A210 VanDerWaalsContact O-N 3.11Å; D207-K232 WeakPolarHBondContact OD1-CE 3.41Å; D207-K232 IonicContact OD1-NZ 3.38Å; D207-K232 PolarHBondContact OD1-NZ 3.19Å |
| 208 | S | 94.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.3 | -179.9 | 72.9 | 0 | 0 | 0 | 0 | 113.7 | D217 T218 I219 T227 | S208-D217 WeakPolarHBondContact CB-OD1 3.46Å; S208-D217 CarbonylContact O-C 3.46Å; S208-D217 VanDerWaalsContact O-CA 3.28Å; S208-D217 WeakPolarHBondContact O-CA 3.33Å; S208-D217 PolarHBondContact OG-OD1 3.24Å; S208-T218 PolarHBondContact O-N 2.94Å; S208-T218 PolarHBondContact O-OG1 3.17Å; S208-T218 VanDerWaalsContact O-OG1 3.06Å; S208-I219 WeakPolarHBondContact CB-O 3.47Å; S208-I219 PolarHBondContact O-N 3Å; S208-T227 WeakPolarHBondContact CB-O 3.12Å |
| 209 | K | 92.1 | Very high | 92.3 | Very high | 107 Ų | 107 | 38.8 Ų | 38.8 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 12.2 | -176.8 | -55.8 | -174 | 179.8 | -153.6 | 0 | 113.9 | D207 F211 S212 G215 | D207-K209 PolarHBondContact O-N 3.41Å; D207-K209 WeakPolarHBondContact OD2-CB 3.44Å; D207-K209 PolarHBondContact OD2-N 3.12Å; K209-F211 PolarHBondContact O-N 3.47Å; K209-S212 WeakPolarHBondContact O-CB 3.46Å; K209-S212 PolarHBondContact O-N 2.9Å; K209-G215 WeakPolarHBondContact CD-O 3.5Å; K209-G215 WeakPolarHBondContact CE-O 3.41Å; K209-G215 PolarHBondContact NZ-O 3.25Å |
| 210 | A | 86 | Confident | 92.4 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 128 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F183 Y206 D207 S212 T218 | F183-A210 WeakPolarHBondContact CZ-O 3.46Å; Y206-A210 HydrophobicContact CD2-CB 3.71Å; Y206-A210 HydrophobicContact CE2-CB 4.41Å; Y206-A210 HydrophobicContact CG-CB 4.03Å; D207-A210 WeakPolarHBondContact O-CB 3.25Å; D207-A210 PolarHBondContact O-N 2.96Å; D207-A210 VanDerWaalsContact O-N 3.11Å; A210-S212 PolarHBondContact O-N 3.41Å; A210-S212 VanDerWaalsContact O-N 3.08Å; A210-T218 PolarHBondContact N-OG1 2.95Å; A210-T218 WeakPolarHBondContact O-CB 3.44Å; A210-T218 VanDerWaalsContact O-CG2 3.29Å; A210-T218 WeakPolarHBondContact O-CG2 3.16Å; A210-T218 PolarHBondContact O-OG1 3.22Å |
| 211 | F | 84 | Confident | 92.5 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 26.7 | -179.6 | -47 | -75.4 | 0 | 0 | 0 | 116 | V12 V155 I156 M179 Q182 F183 Y206 K209 | V12-F211 HydrophobicContact CG1-CE1 3.77Å; V155-F211 HydrophobicContact CG1-CB 4.47Å; I156-F211 WeakPolarHBondContact CG1-O 3.47Å; I156-F211 PolarHBondContact N-O 3.16Å; M179-F211 HydrophobicContact CB-CB 4.04Å; M179-F211 HydrophobicContact CB-CD1 4.4Å; M179-F211 HydrophobicContact CB-CG 4.37Å; M179-F211 HydrophobicContact CG-CD1 4.31Å; M179-F211 HydrophobicContact SD-CD1 3.31Å; M179-F211 WeakPolarHBondContact SD-CD1 3.47Å; M179-F211 HydrophobicContact SD-CE1 3.72Å; M179-F211 HydrophobicContact SD-CG 4.15Å; Q182-F211 HydrophobicContact CB-CD2 3.77Å; Q182-F211 HydrophobicContact CB-CE1 4.38Å; Q182-F211 HydrophobicContact CB-CE2 3.46Å; Q182-F211 VanDerWaalsContact CB-CE2 3.46Å; Q182-F211 HydrophobicContact CB-CG 4.36Å; Q182-F211 HydrophobicContact CB-CZ 3.78Å; Q182-F211 HydrophobicContact CG-CD1 4.31Å; Q182-F211 HydrophobicContact CG-CD2 4.29Å; Q182-F211 HydrophobicContact CG-CE1 3.97Å; Q182-F211 HydrophobicContact CG-CE2 3.98Å; Q182-F211 HydrophobicContact CG-CG 4.44Å; Q182-F211 HydrophobicContact CG-CZ 3.79Å; F183-F211 HydrophobicContact CE2-CB 4.15Å; F183-F211 AromaticContact CE2-CD2 3.96Å; F183-F211 HydrophobicContact CE2-CD2 3.96Å; F183-F211 HydrophobicContact CE2-CG 4.46Å; F183-F211 HydrophobicContact CZ-CB 4.36Å; F183-F211 AromaticContact CZ-CD2 3.95Å; F183-F211 HydrophobicContact CZ-CD2 3.95Å; Y206-F211 HydrophobicContact CD2-CE2 4.34Å; Y206-F211 HydrophobicContact CE2-CD2 4.27Å; Y206-F211 AromaticContact CE2-CE2 3.56Å; Y206-F211 HydrophobicContact CE2-CE2 3.56Å; Y206-F211 AromaticContact CZ-CE2 3.86Å; K209-F211 PolarHBondContact O-N 3.47Å |
| 212 | S | 87.2 | Confident | 92.5 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 132.7 | 177.8 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | N154 K209 A210 N214 G215 H216 | N154-S212 CarbonylContact O-C 3.42Å; N154-S212 WeakPolarHBondContact O-CA 3.17Å; K209-S212 WeakPolarHBondContact O-CB 3.46Å; K209-S212 PolarHBondContact O-N 2.9Å; A210-S212 PolarHBondContact O-N 3.41Å; A210-S212 VanDerWaalsContact O-N 3.08Å; S212-N214 PolarHBondContact OG-OD1 3.41Å; S212-G215 WeakPolarHBondContact OG-CA 3.41Å; S212-G215 PolarHBondContact OG-N 2.7Å; S212-H216 VanDerWaalsContact CB-O 3.28Å; S212-H216 WeakPolarHBondContact CB-O 3.41Å; S212-H216 PolarHBondContact OG-N 3.02Å; S212-H216 PolarHBondContact OG-O 3.46Å |
| 213 | K | 83.9 | Confident | 92.5 | Very high | 123 Ų | 123 | 40.7 Ų | 40.7 | 54% | 0.535 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -86.7 | -18.1 | 177.3 | 78.9 | -174.2 | 175.3 | -162 | 0 | 113.8 | E153 N154 I156 | E153-K213 WeakPolarHBondContact O-CE 3.39Å; E153-K213 PolarHBondContact O-NZ 3.01Å; N154-K213 WeakPolarHBondContact O-CG 3.48Å; N154-K213 PolarHBondContact O-N 3.2Å; I156-K213 HydrophobicContact CB-CB 4.33Å; I156-K213 HydrophobicContact CG1-CB 3.63Å |
| 214 | N | 88.5 | Confident | 92.5 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -131.7 | 4.3 | -169.3 | 55.6 | 9.9 | 0 | 0 | 0 | 112.6 | N154 S212 H216 | N154-N214 PolarHBondContact OD1-ND2 2.78Å; S212-N214 PolarHBondContact OG-OD1 3.41Å; N214-H216 VanDerWaalsContact CG-CD2 3.46Å; N214-H216 PolarHBondContact O-N 2.95Å; N214-H216 WeakPolarHBondContact OD1-CB 3.39Å; N214-H216 PolarHBondContact OD1-N 3.28Å |
| 215 | G | 89.1 | Confident | 92.5 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 76 | 4.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K209 S212 | K209-G215 WeakPolarHBondContact CD-O 3.5Å; K209-G215 WeakPolarHBondContact CE-O 3.41Å; K209-G215 PolarHBondContact NZ-O 3.25Å; S212-G215 WeakPolarHBondContact OG-CA 3.41Å; S212-G215 PolarHBondContact OG-N 2.7Å |
| 216 | H | 94.4 | Very high | 92.5 | Very high | 114 Ų | 114 | 49.2 Ų | 49.2 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -86.1 | 161.2 | 170.5 | -63.5 | -63.6 | 0 | 0 | 0 | 111.2 | S212 N214 T218 | S212-H216 VanDerWaalsContact CB-O 3.28Å; S212-H216 WeakPolarHBondContact CB-O 3.41Å; S212-H216 PolarHBondContact OG-N 3.02Å; S212-H216 PolarHBondContact OG-O 3.46Å; N214-H216 VanDerWaalsContact CG-CD2 3.46Å; N214-H216 PolarHBondContact O-N 2.95Å; N214-H216 WeakPolarHBondContact OD1-CB 3.39Å; N214-H216 PolarHBondContact OD1-N 3.28Å; H216-T218 PolarHBondContact O-N 3.1Å |
| 217 | D | 95.9 | Very high | 92.8 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | trans | -64 | 128.2 | -177.9 | -63.2 | -30.3 | 0 | 0 | 0 | 110.5 | R151 N154 S208 E220 Q224 T227 | R151-D217 WeakPolarHBondContact CB-O 3.44Å; N154-D217 PolarHBondContact ND2-O 3.02Å; S208-D217 WeakPolarHBondContact CB-OD1 3.46Å; S208-D217 CarbonylContact O-C 3.46Å; S208-D217 VanDerWaalsContact O-CA 3.28Å; S208-D217 WeakPolarHBondContact O-CA 3.33Å; S208-D217 PolarHBondContact OG-OD1 3.24Å; D217-E220 HydrophobicContact CB-CG 4.09Å; D217-Q224 PolarHBondContact OD2-NE2 3.02Å; D217-T227 HydrophobicContact CB-CG2 4.35Å; D217-T227 WeakPolarHBondContact OD2-CG2 3.14Å | ||
| 218 | T | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -92.1 | -23.5 | 168.8 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | I150 R151 N154 V155 F183 S208 A210 H216 | I150-T218 CarbonylContact C-O 3.44Å; I150-T218 WeakPolarHBondContact CA-O 3.42Å; R151-T218 PolarHBondContact N-O 2.77Å; N154-T218 HydrophobicContact CB-CG2 3.92Å; V155-T218 HydrophobicContact CG2-CG2 3.81Å; F183-T218 HydrophobicContact CZ-CG2 4.48Å; S208-T218 PolarHBondContact O-N 2.94Å; S208-T218 PolarHBondContact O-OG1 3.17Å; S208-T218 VanDerWaalsContact O-OG1 3.06Å; A210-T218 PolarHBondContact N-OG1 2.95Å; A210-T218 WeakPolarHBondContact O-CB 3.44Å; A210-T218 VanDerWaalsContact O-CG2 3.29Å; A210-T218 WeakPolarHBondContact O-CG2 3.16Å; A210-T218 PolarHBondContact O-OG1 3.22Å; H216-T218 PolarHBondContact O-N 3.1Å |
| 219 | I | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.6 | 172 | -47.8 | 179.9 | 0 | 0 | 0 | 109.2 | Q139 V148 I150 F183 Y206 S208 T227 I230 | Q139-I219 HydrophobicContact CB-CD1 4.13Å; Q139-I219 HydrophobicContact CG-CD1 4.07Å; V148-I219 HydrophobicContact CB-CG2 3.69Å; V148-I219 HydrophobicContact CG1-CG2 3.91Å; V148-I219 HydrophobicContact CG2-CG2 4.02Å; I150-I219 HydrophobicContact CD1-CB 4.48Å; I150-I219 HydrophobicContact CD1-CG1 3.94Å; I150-I219 HydrophobicContact CD1-CG2 4.26Å; F183-I219 HydrophobicContact CD1-CD1 4.41Å; F183-I219 HydrophobicContact CD1-CG1 4.3Å; F183-I219 HydrophobicContact CE1-CD1 3.92Å; F183-I219 HydrophobicContact CE1-CG1 3.68Å; Y206-I219 HydrophobicContact CD2-CD1 4.2Å; Y206-I219 HydrophobicContact CG-CD1 4.46Å; S208-I219 WeakPolarHBondContact CB-O 3.47Å; S208-I219 PolarHBondContact O-N 3Å; I219-T227 WeakPolarHBondContact O-CG2 2.93Å; I219-I230 HydrophobicContact CB-CD1 3.89Å; I219-I230 HydrophobicContact CG2-CD1 3.78Å |
| 220 | E | 97.3 | Very high | 93 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.6 | 174.3 | -70.6 | 177.3 | 171.4 | 0 | 0 | 110.6 | V148 R149 R151 D217 | V148-E220 CarbonylContact C-O 3.57Å; V148-E220 WeakPolarHBondContact CA-O 3.47Å; R149-E220 PolarHBondContact N-O 3.17Å; R149-E220 PolarHBondContact O-N 3.36Å; R151-E220 WeakPolarHBondContact CD-OE2 3.39Å; R151-E220 HydrophobicContact CG-CG 3.94Å; R151-E220 IonicContact CZ-OE1 3.59Å; R151-E220 IonicContact CZ-OE2 3.86Å; R151-E220 IonicContact NE-OE1 3.42Å; R151-E220 IonicContact NE-OE2 3.94Å; R151-E220 IonicContact NH1-OE1 3.97Å; R151-E220 PolarHBondContact NH1-OE1 3.08Å; R151-E220 IonicContact NH1-OE2 3.83Å; R151-E220 PolarHBondContact NH1-OE2 3.44Å; D217-E220 HydrophobicContact CB-CG 4.09Å |
| 221 | A | 96.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | trans | -85.1 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V148 Y200 S223 L226 T227 | V148-A221 HydrophobicContact CG1-CB 4.48Å; Y200-A221 HydrophobicContact CD1-CB 3.99Å; Y200-A221 HydrophobicContact CE1-CB 3.71Å; A221-S223 PolarHBondContact O-N 3.17Å; A221-L226 HydrophobicContact CB-CB 3.43Å; A221-L226 VanDerWaalsContact CB-CB 3.43Å; A221-T227 PolarHBondContact N-OG1 3.05Å | ||
| 222 | P | 96.1 | Very high | 93.6 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -66.5 | -14.1 | -174 | -21.2 | 36.4 | 0 | 0 | 0 | 113.5 | F147 Y200 | F147-P222 WeakPolarHBondContact O-CD 3.07Å; F147-P222 WeakPolarHBondContact O-CG 3.39Å; Y200-P222 VanDerWaalsContact OH-CD 3.32Å; Y200-P222 WeakPolarHBondContact OH-CD 3.41Å; Y200-P222 WeakPolarHBondContact OH-CG 3.28Å |
| 223 | S | 96.5 | Very high | 93.9 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -137.5 | 150.5 | 171.5 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | A221 A225 L226 T227 | A221-S223 PolarHBondContact O-N 3.17Å; S223-A225 PolarHBondContact O-N 3.47Å; S223-L226 PolarHBondContact O-N 3.27Å; S223-L226 WeakPolarHBondContact OG-CG 3.39Å; S223-L226 PolarHBondContact OG-N 2.95Å; S223-T227 PolarHBondContact O-N 3.16Å; S223-T227 PolarHBondContact O-OG1 3.3Å |
| 224 | Q | 96 | Very high | 94.1 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -27.7 | 175.7 | -164.5 | 65 | 34.5 | 0 | 0 | 112.4 | D217 L226 T227 R228 | D217-Q224 PolarHBondContact OD2-NE2 3.02Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; Q224-T227 PolarHBondContact O-N 3.45Å; Q224-R228 VanDerWaalsContact O-CG 3.26Å; Q224-R228 WeakPolarHBondContact O-CG 3.17Å; Q224-R228 PolarHBondContact O-N 2.93Å; Q224-R228 VanDerWaalsContact O-N 3.09Å |
| 225 | A | 96.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 56% | 0.562 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S223 R228 | S223-A225 PolarHBondContact O-N 3.47Å; A225-R228 PolarHBondContact O-N 3.5Å |
| 226 | L | 96.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 175.2 | -70.6 | 173 | 0 | 0 | 0 | 112.2 | Y200 A221 S223 Q224 R228 V229 I230 | Y200-L226 HydrophobicContact CD2-CD1 4.27Å; Y200-L226 HydrophobicContact CD2-CD2 4.04Å; Y200-L226 HydrophobicContact CE2-CD1 4.04Å; Y200-L226 HydrophobicContact CG-CD2 4.15Å; A221-L226 HydrophobicContact CB-CB 3.43Å; A221-L226 VanDerWaalsContact CB-CB 3.43Å; S223-L226 PolarHBondContact O-N 3.27Å; S223-L226 WeakPolarHBondContact OG-CG 3.39Å; S223-L226 PolarHBondContact OG-N 2.95Å; Q224-L226 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 2.79Å; L226-V229 HydrophobicContact CD2-CG2 4.38Å; L226-V229 WeakPolarHBondContact O-CG2 3.46Å; L226-V229 PolarHBondContact O-N 2.86Å; L226-V229 VanDerWaalsContact O-N 3.14Å; L226-I230 PolarHBondContact O-N 3.13Å |
| 227 | T | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -30.8 | 175.8 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | S208 D217 I219 A221 S223 Q224 V229 I230 | S208-T227 WeakPolarHBondContact CB-O 3.12Å; D217-T227 HydrophobicContact CB-CG2 4.35Å; D217-T227 WeakPolarHBondContact OD2-CG2 3.14Å; I219-T227 WeakPolarHBondContact O-CG2 2.93Å; A221-T227 PolarHBondContact N-OG1 3.05Å; S223-T227 PolarHBondContact O-N 3.16Å; S223-T227 PolarHBondContact O-OG1 3.3Å; Q224-T227 PolarHBondContact O-N 3.45Å; T227-V229 VanDerWaalsContact C-N 3.35Å; T227-I230 WeakPolarHBondContact O-CG1 3.19Å |
| 228 | R | 94.1 | Very high | 94.7 | Very high | 181 Ų | 181 | 49.3 Ų | 49.3 | 68% | 0.683 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.3 | 179.9 | -72.5 | 172.6 | -173.4 | 173.3 | 5.3 | 114.6 | Q224 A225 L226 | Q224-R228 VanDerWaalsContact O-CG 3.26Å; Q224-R228 WeakPolarHBondContact O-CG 3.17Å; Q224-R228 PolarHBondContact O-N 2.93Å; Q224-R228 VanDerWaalsContact O-N 3.09Å; A225-R228 PolarHBondContact O-N 3.5Å; L226-R228 PolarHBondContact O-N 2.79Å |
| 229 | V | 94.9 | Very high | 94.8 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -25.4 | -177.1 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | Y201 L226 T227 G231 K232 | Y201-V229 HydrophobicContact CD1-CB 4.19Å; Y201-V229 HydrophobicContact CD1-CG2 4.13Å; Y201-V229 HydrophobicContact CE1-CB 3.79Å; Y201-V229 HydrophobicContact CE1-CG1 4.05Å; Y201-V229 HydrophobicContact CE1-CG2 3.61Å; L226-V229 HydrophobicContact CD2-CG2 4.38Å; L226-V229 WeakPolarHBondContact O-CG2 3.46Å; L226-V229 PolarHBondContact O-N 2.86Å; L226-V229 VanDerWaalsContact O-N 3.14Å; T227-V229 VanDerWaalsContact C-N 3.35Å; V229-G231 PolarHBondContact O-N 2.48Å; V229-K232 WeakPolarHBondContact O-CB 3.42Å; V229-K232 PolarHBondContact O-N 2.78Å; V229-K232 VanDerWaalsContact O-N 3.14Å |
| 230 | I | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.9 | 176.5 | 55.4 | 166.1 | 0 | 0 | 0 | 110.9 | Y200 Y206 I219 L226 T227 K232 | Y200-I230 HydrophobicContact CD1-CG2 3.91Å; Y200-I230 HydrophobicContact CG-CG2 4.42Å; Y200-I230 WeakPolarHBondContact O-CA 3.15Å; Y200-I230 WeakPolarHBondContact O-CG2 3.48Å; Y206-I230 CarbonylContact O-C 3.6Å; I219-I230 HydrophobicContact CB-CD1 3.89Å; I219-I230 HydrophobicContact CG2-CD1 3.78Å; L226-I230 PolarHBondContact O-N 3.13Å; T227-I230 WeakPolarHBondContact O-CG1 3.19Å; I230-K232 PolarHBondContact O-N 3.22Å |
| 231 | G | 92.2 | Very high | 94.7 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 14.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | H205 Y206 V229 | H205-G231 WeakPolarHBondContact O-CA 3.3Å; H205-G231 PolarHBondContact O-N 3.11Å; Y206-G231 PolarHBondContact O-N 2.75Å; V229-G231 PolarHBondContact O-N 2.48Å |
| 232 | K | 91.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 54.3 Ų | 54.3 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | trans | -109.9 | 12.3 | 176.1 | -56.4 | -54.6 | -168.4 | -163.7 | 0 | 113.8 | D207 V229 I230 H307 | D207-K232 WeakPolarHBondContact OD1-CE 3.41Å; D207-K232 IonicContact OD1-NZ 3.38Å; D207-K232 PolarHBondContact OD1-NZ 3.19Å; V229-K232 WeakPolarHBondContact O-CB 3.42Å; V229-K232 PolarHBondContact O-N 2.78Å; V229-K232 VanDerWaalsContact O-N 3.14Å; I230-K232 PolarHBondContact O-N 3.22Å; K232-H307 PolarHBondContact NZ-NE2 2.7Å | ||
| 233 | A | 91.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 21% | 0.207 | 26% | 0.264 | C | S | . | . | trans | -65.8 | 135.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y201 I203 | Y201-A233 WeakPolarHBondContact O-CB 3.35Å; I203-A233 HydrophobicContact CB-CB 4.24Å; I203-A233 HydrophobicContact CG1-CB 4.34Å | ||
| 234 | M | 88.8 | Confident | 94.3 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -102.4 | 9.6 | 179.2 | -61.8 | -61.3 | -48 | 0 | 0 | 112.8 | R122 E123 F290 V308 | R122-M234 PolarHBondContact NH2-O 2.98Å; R122-M234 VanDerWaalsContact NH2-O 3.13Å; E123-M234 HydrophobicContact CG-CE 4.42Å; E123-M234 WeakPolarHBondContact OE2-CE 3.23Å; M234-F290 HydrophobicContact CB-CZ 4.08Å; M234-F290 HydrophobicContact CE-CE2 3.66Å; M234-F290 HydrophobicContact CE-CZ 3.82Å; M234-F290 HydrophobicContact CG-CZ 4.06Å; M234-V308 HydrophobicContact CE-CG1 4.35Å; M234-V308 HydrophobicContact SD-CG1 4.34Å |
| 235 | G | 93 | Very high | 94.2 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 173.6 | 172.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 236 | M | 96.5 | Very high | 94 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 14% | 0.143 | 22% | 0.224 | C | C | . | . | trans | -61.4 | 136.2 | 178.4 | -71.1 | 167.7 | 62.5 | 0 | 0 | 111.2 | I74 V126 L130 I203 D240 V241 L244 | I74-M236 HydrophobicContact CG1-SD 4.15Å; V126-M236 HydrophobicContact CG1-CG 3.78Å; V126-M236 HydrophobicContact CG1-SD 4.12Å; L130-M236 HydrophobicContact CD1-CG 4.08Å; I203-M236 HydrophobicContact CG2-CG 4.42Å; M236-D240 HydrophobicContact CB-CB 3.99Å; M236-D240 HydrophobicContact CE-CB 4.36Å; M236-D240 HydrophobicContact CG-CB 4.28Å; M236-V241 HydrophobicContact CB-CG2 4.06Å; M236-V241 HydrophobicContact CE-CB 4.21Å; M236-V241 HydrophobicContact CE-CG2 3.59Å; M236-L244 HydrophobicContact CE-CD2 3.9Å | ||
| 237 | S | 96.3 | Very high | 93.8 | Very high | 18 Ų | 18 | 44 Ų | 44 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | trans | -72.1 | 165.1 | 167 | 82.9 | 0 | 0 | 0 | 0 | 110.7 | D199 K239 D240 V241 | D199-S237 WeakPolarHBondContact OD2-CB 3.43Å; D199-S237 PolarHBondContact OD2-OG 3.29Å; S237-K239 PolarHBondContact O-N 3.01Å; S237-K239 PolarHBondContact OG-N 2.7Å; S237-K239 VanDerWaalsContact OG-N 3.13Å; S237-D240 PolarHBondContact N-OD2 3.11Å; S237-D240 WeakPolarHBondContact O-CB 3.45Å; S237-D240 PolarHBondContact O-N 3.4Å; S237-D240 VanDerWaalsContact O-N 3.14Å; S237-D240 VanDerWaalsContact OG-CG 3.28Å; S237-D240 PolarHBondContact OG-N 3.21Å; S237-D240 PolarHBondContact OG-OD2 3.07Å; S237-V241 WeakPolarHBondContact O-CG2 3.21Å; S237-V241 PolarHBondContact O-N 3.26Å | ||
| 238 | E | 95.1 | Very high | 93.6 | Very high | 152 Ų | 152 | 44.9 Ų | 44.9 | 71% | 0.71 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.6 | -32.1 | 171.4 | -61.2 | -178.3 | 176.8 | 0 | 0 | 112.4 | R242 | E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 2.98Å; E238-R242 IonicContact OE2-NH1 3.08Å |
| 239 | K | 94.5 | Very high | 93.6 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 18% | 0.183 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72 | -39.4 | 177 | -72.8 | 175.1 | -174.6 | -171.8 | 0 | 110.9 | S197 Y198 D199 S237 V241 R242 K243 | S197-K239 PolarHBondContact O-NZ 3.08Å; S197-K239 WeakPolarHBondContact OG-CE 3.38Å; S197-K239 PolarHBondContact OG-NZ 2.68Å; Y198-K239 PolarHBondContact O-NZ 2.64Å; D199-K239 HydrophobicContact CB-CB 4.25Å; D199-K239 HydrophobicContact CB-CD 3.63Å; S237-K239 PolarHBondContact O-N 3.01Å; S237-K239 PolarHBondContact OG-N 2.7Å; S237-K239 VanDerWaalsContact OG-N 3.13Å; K239-V241 VanDerWaalsContact C-N 3.32Å; K239-V241 PolarHBondContact O-N 2.82Å; K239-R242 PolarHBondContact O-N 2.78Å; K239-K243 WeakPolarHBondContact O-CB 3.22Å; K239-K243 VanDerWaalsContact O-CG 3.22Å; K239-K243 WeakPolarHBondContact O-CG 3.43Å; K239-K243 PolarHBondContact O-N 2.69Å |
| 240 | D | 95.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -47.5 | 173.4 | -63.1 | -30.5 | 0 | 0 | 0 | 110.2 | S202 I203 M236 S237 R242 K243 L244 | S202-D240 WeakPolarHBondContact CA-OD2 2.98Å; S202-D240 WeakPolarHBondContact CB-OD1 3.48Å; S202-D240 PolarHBondContact OG-OD1 3.2Å; S202-D240 PolarHBondContact OG-OD2 3.02Å; I203-D240 PolarHBondContact N-OD2 3.45Å; M236-D240 HydrophobicContact CB-CB 3.99Å; M236-D240 HydrophobicContact CE-CB 4.36Å; M236-D240 HydrophobicContact CG-CB 4.28Å; S237-D240 PolarHBondContact N-OD2 3.11Å; S237-D240 WeakPolarHBondContact O-CB 3.45Å; S237-D240 PolarHBondContact O-N 3.4Å; S237-D240 VanDerWaalsContact O-N 3.14Å; S237-D240 VanDerWaalsContact OG-CG 3.28Å; S237-D240 PolarHBondContact OG-N 3.21Å; S237-D240 PolarHBondContact OG-OD2 3.07Å; D240-R242 PolarHBondContact O-N 2.73Å; D240-K243 PolarHBondContact O-N 3.03Å; D240-L244 WeakPolarHBondContact O-CB 3.43Å; D240-L244 PolarHBondContact O-N 2.62Å |
| 241 | V | 95.8 | Very high | 93.4 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 175.7 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | N77 M236 S237 K239 L244 N245 | N77-V241 HydrophobicContact CB-CG1 4.12Å; N77-V241 HydrophobicContact CB-CG2 4.03Å; N77-V241 WeakPolarHBondContact O-CG1 3.36Å; M236-V241 HydrophobicContact CB-CG2 4.06Å; M236-V241 HydrophobicContact CE-CB 4.21Å; M236-V241 HydrophobicContact CE-CG2 3.59Å; S237-V241 WeakPolarHBondContact O-CG2 3.21Å; S237-V241 PolarHBondContact O-N 3.26Å; K239-V241 VanDerWaalsContact C-N 3.32Å; K239-V241 PolarHBondContact O-N 2.82Å; V241-L244 PolarHBondContact O-N 2.98Å; V241-N245 VanDerWaalsContact CG1-ND2 3.32Å; V241-N245 WeakPolarHBondContact CG1-ND2 3.32Å; V241-N245 WeakPolarHBondContact O-CB 3.44Å; V241-N245 PolarHBondContact O-N 3.45Å; V241-N245 PolarHBondContact O-ND2 3.14Å |
| 242 | R | 93.5 | Very high | 92.7 | Very high | 89 Ų | 89 | 49 Ų | 49 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.3 | -74.6 | -168 | -55.1 | -92.6 | 7.1 | 112.4 | E196 E238 K239 D240 N245 K246 | E196-R242 IonicContact OE1-CZ 3.62Å; E196-R242 IonicContact OE1-NE 3.63Å; E196-R242 PolarHBondContact OE1-NE 2.87Å; E196-R242 IonicContact OE2-CZ 2.98Å; E196-R242 IonicContact OE2-NE 3.55Å; E196-R242 PolarHBondContact OE2-NE 2.89Å; E196-R242 IonicContact OE2-NH2 2.73Å; E196-R242 PolarHBondContact OE2-NH2 3.22Å; E238-R242 WeakPolarHBondContact O-CG 3.28Å; E238-R242 PolarHBondContact O-N 2.98Å; E238-R242 IonicContact OE2-NH1 3.08Å; K239-R242 PolarHBondContact O-N 2.78Å; D240-R242 PolarHBondContact O-N 2.73Å; R242-N245 PolarHBondContact O-N 3.26Å; R242-K246 WeakPolarHBondContact O-CB 3.48Å; R242-K246 VanDerWaalsContact O-CG 3.23Å; R242-K246 WeakPolarHBondContact O-CG 3.42Å; R242-K246 PolarHBondContact O-N 3.13Å |
| 243 | K | 93.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 175.9 | -69.9 | 172.9 | -172.9 | 165.4 | 0 | 110.3 | F135 E138 L194 E196 K239 D240 N245 K246 L247 | F135-K243 HydrophobicContact CE1-CB 3.7Å; F135-K243 HydrophobicContact CZ-CB 4.14Å; E138-K243 IonicContact OE1-NZ 3.54Å; E138-K243 PolarHBondContact OE1-NZ 3.05Å; E138-K243 IonicContact OE2-NZ 2.69Å; E138-K243 PolarHBondContact OE2-NZ 2.87Å; L194-K243 HydrophobicContact CD1-CB 4.09Å; L194-K243 WeakPolarHBondContact CD1-O 3.44Å; E196-K243 HydrophobicContact CB-CG 4.11Å; E196-K243 HydrophobicContact CG-CG 3.83Å; K239-K243 WeakPolarHBondContact O-CB 3.22Å; K239-K243 VanDerWaalsContact O-CG 3.22Å; K239-K243 WeakPolarHBondContact O-CG 3.43Å; K239-K243 PolarHBondContact O-N 2.69Å; D240-K243 PolarHBondContact O-N 3.03Å; K243-N245 PolarHBondContact O-N 2.71Å; K243-K246 PolarHBondContact O-N 3.06Å; K243-L247 WeakPolarHBondContact O-CB 2.96Å; K243-L247 PolarHBondContact O-N 2.96Å |
| 244 | L | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.4 | -50.1 | 176.7 | 178.7 | 62.5 | 0 | 0 | 0 | 112 | I74 I80 L130 L133 F135 M236 D240 V241 K246 L247 Y248 | I74-L244 HydrophobicContact CG2-CD2 3.81Å; I80-L244 HydrophobicContact CD1-CD1 4.48Å; I80-L244 HydrophobicContact CG1-CD1 3.98Å; I80-L244 HydrophobicContact CG1-CD2 4.38Å; I80-L244 HydrophobicContact CG1-CG 4.4Å; L130-L244 HydrophobicContact CD2-CD2 4.44Å; L133-L244 HydrophobicContact CB-CD1 4.36Å; L133-L244 HydrophobicContact CD1-CD1 4Å; F135-L244 HydrophobicContact CE2-CB 4.24Å; F135-L244 HydrophobicContact CE2-CD1 3.75Å; F135-L244 HydrophobicContact CZ-CB 4.21Å; F135-L244 HydrophobicContact CZ-CD1 4.41Å; M236-L244 HydrophobicContact CE-CD2 3.9Å; D240-L244 WeakPolarHBondContact O-CB 3.43Å; D240-L244 PolarHBondContact O-N 2.62Å; V241-L244 PolarHBondContact O-N 2.98Å; L244-K246 PolarHBondContact O-N 3.02Å; L244-L247 PolarHBondContact O-N 2.85Å; L244-Y248 HydrophobicContact CD1-CD2 3.86Å; L244-Y248 HydrophobicContact CD1-CE2 4.06Å; L244-Y248 PolarHBondContact O-N 2.95Å; L244-Y248 VanDerWaalsContact O-N 3.14Å |
| 245 | N | 94.1 | Very high | 86.5 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 15% | 0.15 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | -179.5 | -75.5 | -59.3 | 0 | 0 | 0 | 112.9 | N77 S78 V241 R242 K243 N249 C250 | N77-N245 PolarHBondContact O-ND2 3.39Å; S78-N245 VanDerWaalsContact CA-OD1 3.25Å; S78-N245 WeakPolarHBondContact CA-OD1 3.47Å; S78-N245 WeakPolarHBondContact CB-OD1 3.12Å; V241-N245 VanDerWaalsContact CG1-ND2 3.32Å; V241-N245 WeakPolarHBondContact CG1-ND2 3.32Å; V241-N245 WeakPolarHBondContact O-CB 3.44Å; V241-N245 PolarHBondContact O-N 3.45Å; V241-N245 PolarHBondContact O-ND2 3.14Å; R242-N245 PolarHBondContact O-N 3.26Å; K243-N245 PolarHBondContact O-N 2.71Å; N245-N249 CarbonylContact O-C 3.52Å; N245-N249 WeakPolarHBondContact O-CA 3.4Å; N245-N249 PolarHBondContact O-N 2.88Å; N245-C250 HydrophobicContact CB-CB 3.97Å; N245-C250 PolarHBondContact O-N 3.41Å; N245-C250 WeakPolarHBondContact OD1-CB 3.42Å; N245-C250 PolarHBondContact OD1-SG 3.32Å |
| 246 | K | 91.8 | Very high | 83.5 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 37% | 0.365 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 174.8 | -74.4 | 173.2 | 179.1 | 174.1 | 0 | 111.8 | L194 E196 R242 K243 L244 Y248 N249 | L194-K246 HydrophobicContact CB-CB 3.92Å; L194-K246 HydrophobicContact CB-CD 3.83Å; L194-K246 HydrophobicContact CD1-CB 4.01Å; L194-K246 HydrophobicContact CD2-CB 4.37Å; L194-K246 HydrophobicContact CG-CB 4.33Å; L194-K246 WeakPolarHBondContact O-CD 3.4Å; L194-K246 PolarHBondContact O-NZ 3.07Å; E196-K246 IonicContact OE1-NZ 3.55Å; E196-K246 PolarHBondContact OE1-NZ 2.97Å; R242-K246 WeakPolarHBondContact O-CB 3.48Å; R242-K246 VanDerWaalsContact O-CG 3.23Å; R242-K246 WeakPolarHBondContact O-CG 3.42Å; R242-K246 PolarHBondContact O-N 3.13Å; K243-K246 PolarHBondContact O-N 3.06Å; L244-K246 PolarHBondContact O-N 3.02Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 PolarHBondContact O-N 3.34Å; K246-N249 PolarHBondContact O-N 2.95Å |
| 247 | L | 91 | Very high | 80.5 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | -178.4 | -172.9 | 59.8 | 0 | 0 | 0 | 111.1 | L45 F135 L194 K243 L244 | L45-L247 HydrophobicContact CD1-CD1 4.39Å; L45-L247 HydrophobicContact CD1-CG 4.41Å; L45-L247 HydrophobicContact CD2-CD1 4Å; L45-L247 HydrophobicContact CD2-CD2 3.85Å; L45-L247 HydrophobicContact CD2-CG 3.73Å; F135-L247 HydrophobicContact CE1-CD2 4.4Å; F135-L247 HydrophobicContact CE2-CD2 3.73Å; F135-L247 HydrophobicContact CZ-CB 4.27Å; F135-L247 HydrophobicContact CZ-CD2 3.63Å; L194-L247 HydrophobicContact CD1-CB 3.74Å; L194-L247 HydrophobicContact CD1-CD1 4.33Å; K243-L247 WeakPolarHBondContact O-CB 2.96Å; K243-L247 PolarHBondContact O-N 2.96Å; L244-L247 PolarHBondContact O-N 2.85Å |
| 248 | Y | 93.6 | Very high | 77.4 | Confident | 22 Ų | 22 | 73 Ų | 73 | 9% | 0.086 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 7.5 | -178.1 | -78.6 | -93.8 | 0 | 0 | 0 | 114.4 | L45 W46 I80 L133 L244 K246 C250 | L45-Y248 HydrophobicContact CB-CE1 4.25Å; L45-Y248 HydrophobicContact CD2-CE2 4.14Å; W46-Y248 HydrophobicContact CB-CE1 4.16Å; W46-Y248 PolarHBondContact N-OH 2.96Å; W46-Y248 WeakPolarHBondContact O-CE1 3.41Å; I80-Y248 HydrophobicContact CD1-CD1 3.39Å; I80-Y248 HydrophobicContact CD1-CD2 3.7Å; I80-Y248 HydrophobicContact CD1-CE1 3.52Å; I80-Y248 HydrophobicContact CD1-CE2 3.83Å; I80-Y248 HydrophobicContact CD1-CG 3.45Å; I80-Y248 VanDerWaalsContact CD1-CG 3.45Å; L133-Y248 HydrophobicContact CB-CE2 4.3Å; L133-Y248 HydrophobicContact CD2-CE2 4.34Å; L133-Y248 WeakPolarHBondContact O-CE2 3.49Å; L133-Y248 PolarHBondContact O-OH 3.2Å; L244-Y248 HydrophobicContact CD1-CD2 3.86Å; L244-Y248 HydrophobicContact CD1-CE2 4.06Å; L244-Y248 PolarHBondContact O-N 2.95Å; L244-Y248 VanDerWaalsContact O-N 3.14Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 PolarHBondContact O-N 3.34Å; Y248-C250 PolarHBondContact O-N 3.14Å |
| 249 | N | 92.9 | Very high | 74.5 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 67% | 0.674 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.9 | -176.3 | -52.7 | -69.4 | 0 | 0 | 0 | 112.9 | N245 K246 | N245-N249 CarbonylContact O-C 3.52Å; N245-N249 WeakPolarHBondContact O-CA 3.4Å; N245-N249 PolarHBondContact O-N 2.88Å; K246-N249 PolarHBondContact O-N 2.95Å |
| 250 | C | 94.6 | Very high | 71.7 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 139.2 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | C79 N245 Y248 A252 | C79-C250 HydrophobicContact CB-CB 3.57Å; C79-C250 WeakPolarHBondContact CB-SG 3.42Å; C79-C250 PolarHBondContact N-SG 2.85Å; C79-C250 WeakPolarHBondContact SG-CA 3.35Å; C79-C250 WeakPolarHBondContact SG-CB 3.37Å; C79-C250 CovalentContact SG-SG 2.04Å; C79-C250 PolarHBondContact SG-SG 2.75Å; N245-C250 HydrophobicContact CB-CB 3.97Å; N245-C250 PolarHBondContact O-N 3.41Å; N245-C250 WeakPolarHBondContact OD1-CB 3.42Å; N245-C250 PolarHBondContact OD1-SG 3.32Å; Y248-C250 PolarHBondContact O-N 3.14Å; C250-A252 PolarHBondContact O-N 3.19Å |
| 251 | P | 90.9 | Very high | 68.6 | Low | 102 Ų | 102 | 79.2 Ų | 79.2 | 66% | 0.662 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -58 | 139.9 | 175.1 | 23.7 | -31.4 | 0 | 0 | 0 | 109.1 | V253 | P251-V253 PolarHBondContact O-N 2.69Š|
| 252 | A | 78.3 | Confident | 65.4 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 80% | 0.802 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 121.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | C250 S254 | C250-A252 PolarHBondContact O-N 3.19Å; A252-S254 VanDerWaalsContact C-N 3.27Å; A252-S254 PolarHBondContact O-N 3.42Å |
| 253 | V | 60.8 | Low | 62.5 | Low | 116 Ų | 116 | 88.1 Ų | 88.1 | 70% | 0.703 | 53% | 0.533 | S | S | * | . | trans | -60 | 100.8 | 174 | -176.8 | 0 | 0 | 0 | 0 | 105.2 | P251 M255 | P251-V253 PolarHBondContact O-N 2.69Å; V253-M255 PolarHBondContact O-N 3.23Å | ||
| 254 | S | 41.2 | Very low | 59.4 | Low | 91 Ų | 91 | 94.8 Ų | 94.8 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | trans | -57.9 | 115.5 | 172.5 | -170.7 | 0 | 0 | 0 | 0 | 104.2 | A252 T256 | A252-S254 VanDerWaalsContact C-N 3.27Å; A252-S254 PolarHBondContact O-N 3.42Å; S254-T256 PolarHBondContact O-N 3.09Å | ||
| 255 | M | 38 | Very low | 56.6 | Low | 181 Ų | 181 | 103.9 Ų | 103.9 | 89% | 0.892 | 61% | 0.611 | S | S | * | * | trans | -63.5 | 77.6 | 165.9 | -73.3 | -131.6 | 171.7 | 0 | 0 | 106.3 | V253 T257 | V253-M255 PolarHBondContact O-N 3.23Å; M255-T257 VanDerWaalsContact C-N 3.35Å; M255-T257 PolarHBondContact O-N 3.21Å | ||
| 256 | T | 31.7 | Very low | 53.5 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | trans | -60.2 | 109.5 | 162.1 | 40.4 | 0 | 0 | 0 | 0 | 104.3 | S254 A258 | S254-T256 PolarHBondContact O-N 3.09Å; T256-A258 PolarHBondContact O-N 3.26Å | ||
| 257 | T | 32 | Very low | 50.8 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | trans | -49.1 | 82.8 | 167.3 | 45.1 | 0 | 0 | 0 | 0 | 109.4 | M255 | M255-T257 VanDerWaalsContact C-N 3.35Å; M255-T257 PolarHBondContact O-N 3.21Å | ||
| 258 | A | 32 | Very low | 48 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | -100.2 | 107.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | T256 | T256-A258 PolarHBondContact O-N 3.26Š| ||
| 259 | A | 34.4 | Very low | 45.1 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | 71 | 57.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 260 | V | 35 | Very low | 42.1 | Very low | 120 Ų | 120 | 128 Ų | 128 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -91.5 | 85.4 | 137 | -179.5 | 0 | 0 | 0 | 0 | 106.3 | K262 | V260-K262 VanDerWaalsContact C-N 3.29Å; V260-K262 HydrophobicContact CG1-CG 4.4Å; V260-K262 PolarHBondContact O-N 3.09Å | ||
| 261 | T | 32.2 | Very low | 39.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -65.2 | 99.1 | 163.4 | -19.8 | 0 | 0 | 0 | 0 | 106.2 | T263 | T261-T263 PolarHBondContact O-N 3.43Å; T261-T263 VanDerWaalsContact O-N 3.08Å | ||
| 262 | K | 28.3 | Very low | 36.3 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -64.6 | 99.6 | 164.1 | -73 | 178.7 | 175.8 | 177.6 | 0 | 107.6 | V260 | V260-K262 VanDerWaalsContact C-N 3.29Å; V260-K262 HydrophobicContact CG1-CG 4.4Å; V260-K262 PolarHBondContact O-N 3.09Å | ||
| 263 | T | 31.7 | Very low | 33.8 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -92.2 | 93.9 | 149.5 | 34.6 | 0 | 0 | 0 | 0 | 107.3 | T261 E265 | T261-T263 PolarHBondContact O-N 3.43Å; T261-T263 VanDerWaalsContact O-N 3.08Å; T263-E265 PolarHBondContact O-N 3.21Å | ||
| 264 | N | 29 | Very low | 32.4 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 113.3 | 156.7 | -79.5 | -17.9 | 0 | 0 | 0 | 107.2 | ||||
| 265 | E | 35.2 | Very low | 31.8 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -151.2 | 79.2 | 156.1 | -109 | 167.1 | -150.2 | 0 | 0 | 108.3 | T263 | T263-E265 PolarHBondContact O-N 3.21Š| ||
| 266 | A | 29.8 | Very low | 31.5 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 103.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 267 | Q | 34 | Very low | 31.5 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | 158.2 | 106.8 | 142.7 | -89 | 176.2 | -21.2 | 0 | 0 | 109.1 | ||||
| 268 | I | 33.4 | Very low | 31.8 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | -162.6 | 130.5 | 120.8 | -89.4 | 149.4 | 0 | 0 | 0 | 107.9 | |||||
| 269 | I | 32.2 | Very low | 32 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -85.2 | 154.6 | -174.9 | -73.6 | 161.4 | 0 | 0 | 0 | 109.4 | ||||
| 270 | Q | 30 | Very low | 32.3 | Very low | 191 Ų | 191 | 155.1 Ų | 155.1 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | 91.7 | 108 | 169.1 | -72.8 | 157.7 | 20.5 | 0 | 0 | 117.6 | ||||
| 271 | G | 31.5 | Very low | 32.6 | Very low | 73 Ų | 73 | 157.6 Ų | 157.6 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 166.3 | 73.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 272 | K | 31.1 | Very low | 33 | Very low | 205 Ų | 205 | 154.5 Ų | 154.5 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | 59.1 | 121.6 | 152.2 | -71.4 | 177.5 | 169.7 | 177 | 0 | 119.9 | E274 | K272-E274 PolarHBondContact O-N 3.4Š| ||
| 273 | E | 26.8 | Very low | 34.1 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -54 | 113.9 | 162.7 | -65 | 171.2 | 138.9 | 0 | 0 | 111.3 | ||||
| 274 | E | 30.8 | Very low | 35.4 | Very low | 185 Ų | 185 | 154.5 Ų | 154.5 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -118.6 | 122.1 | 155.1 | -77.5 | -174.7 | 171.1 | 0 | 0 | 108.6 | K272 E276 | K272-E274 PolarHBondContact O-N 3.4Å; E274-E276 PolarHBondContact O-N 3.14Å; E274-E276 VanDerWaalsContact O-N 3.08Å | ||
| 275 | K | 27.9 | Very low | 37.4 | Very low | 196 Ų | 196 | 155 Ų | 155 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | -51.7 | 110.8 | 177.1 | -85.8 | 172.4 | 168 | 173.7 | 0 | 110.4 | T277 | K275-T277 PolarHBondContact O-N 3.27Å; K275-T277 PolarHBondContact O-OG1 2.96Å | ||
| 276 | E | 33 | Very low | 39.7 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -66.3 | 100.1 | 165.5 | -162 | 169.8 | -170 | 0 | 0 | 108.4 | E274 | E274-E276 PolarHBondContact O-N 3.14Å; E274-E276 VanDerWaalsContact O-N 3.08Å | ||
| 277 | T | 31.2 | Very low | 42.5 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -74.8 | 126 | 174.2 | -51.6 | 0 | 0 | 0 | 0 | 106.4 | K275 | K275-T277 PolarHBondContact O-N 3.27Å; K275-T277 PolarHBondContact O-OG1 2.96Å | ||
| 278 | Q | 38.6 | Very low | 44.9 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -43.8 | 130.2 | 173.5 | -68.1 | 179.2 | -11.8 | 0 | 0 | 109.8 | V280 | Q278-V280 PolarHBondContact O-N 3Š| ||
| 279 | P | 35.7 | Very low | 47.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -63.6 | 110.8 | 178.8 | 24.4 | -29.8 | 0 | 0 | 0 | 107.8 | L281 | P279-L281 PolarHBondContact O-N 3.19Š| ||
| 280 | V | 40.2 | Very low | 48.9 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | trans | -46.2 | 124.6 | 163.1 | 175.1 | 0 | 0 | 0 | 0 | 106.6 | Q278 G282 | Q278-V280 PolarHBondContact O-N 3Å; V280-G282 PolarHBondContact O-N 3.08Å | ||
| 281 | L | 42.1 | Very low | 50.9 | Low | 172 Ų | 172 | 139.4 Ų | 139.4 | 90% | 0.901 | 72% | 0.716 | S | S | * | * | trans | -55.3 | 84.8 | 175.9 | -171.1 | 76.1 | 0 | 0 | 0 | 109.4 | P279 | P279-L281 PolarHBondContact O-N 3.19Š| ||
| 282 | G | 40.3 | Very low | 52.8 | Low | 54 Ų | 54 | 137 Ų | 137 | 56% | 0.557 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | V280 | V280-G282 PolarHBondContact O-N 3.08Š|
| 283 | K | 50.9 | Low | 54.8 | Low | 201 Ų | 201 | 127.3 Ų | 127.3 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 133.4 | 175.4 | -80.2 | 179.3 | 174.6 | -179.9 | 0 | 109.5 | E285 | K283-E285 PolarHBondContact O-N 3.3Å; K283-E285 VanDerWaalsContact O-N 3.1Å |
| 284 | P | 58.7 | Low | 57.4 | Low | 102 Ų | 102 | 121.4 Ų | 121.4 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 121.8 | -179.7 | 21.6 | -31 | 0 | 0 | 0 | 109.4 | C286 | P284-C286 PolarHBondContact O-N 2.88Š|
| 285 | E | 72.4 | Confident | 59 | Low | 154 Ų | 154 | 116.2 Ų | 116.2 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 132.6 | -175.4 | -162 | -179.8 | -163.7 | 0 | 0 | 111.2 | K283 R287 | K283-E285 PolarHBondContact O-N 3.3Å; K283-E285 VanDerWaalsContact O-N 3.1Å; E285-R287 PolarHBondContact O-N 2.96Å |
| 286 | C | 83 | Confident | 60.5 | Low | 63 Ų | 63 | 107.5 Ų | 107.5 | 43% | 0.426 | 57% | 0.566 | S | S | . | * | trans | -71.7 | 90.5 | -179.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | P284 C320 | P284-C286 PolarHBondContact O-N 2.88Å; C286-C320 VanDerWaalsContact CA-SG 3.58Å; C286-C320 HydrophobicContact CB-CB 3.47Å; C286-C320 VanDerWaalsContact CB-CB 3.47Å; C286-C320 WeakPolarHBondContact CB-SG 2.89Å; C286-C320 WeakPolarHBondContact SG-CB 3.03Å; C286-C320 CovalentContact SG-SG 2Å; C286-C320 PolarHBondContact SG-SG 3.34Å | ||
| 287 | R | 88.5 | Confident | 62.5 | Low | 160 Ų | 160 | 100.2 Ų | 100.2 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | trans | -137.1 | 153.1 | 174.9 | 67.1 | -177.8 | -176.4 | 176.6 | 1.2 | 111.9 | E285 | E285-R287 PolarHBondContact O-N 2.96Š| ||
| 288 | D | 85.2 | Confident | 64.2 | Low | 43 Ų | 43 | 101.6 Ų | 101.6 | 23% | 0.23 | 53% | 0.532 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 131.4 | 161.1 | -69.3 | -28.5 | 0 | 0 | 0 | 108 | F290 C293 C313 R314 K315 T316 | D288-F290 VanDerWaalsContact C-N 3.33Å; D288-C293 HydrophobicContact CB-CB 3.75Å; D288-C313 WeakPolarHBondContact OD1-CA 3Å; D288-R314 PolarHBondContact OD1-N 2.89Å; D288-K315 WeakPolarHBondContact OD1-CA 3.35Å; D288-K315 WeakPolarHBondContact OD1-CB 3.34Å; D288-K315 PolarHBondContact OD1-N 3.2Å; D288-T316 VanDerWaalsContact CG-OG1 3.32Å; D288-T316 PolarHBondContact OD1-N 2.98Å; D288-T316 WeakPolarHBondContact OD2-CB 3.26Å; D288-T316 PolarHBondContact OD2-N 3.14Å; D288-T316 VanDerWaalsContact OD2-N 3.14Å; D288-T316 PolarHBondContact OD2-OG1 2.94Å |
| 289 | R | 79.6 | Confident | 64.9 | Low | 166 Ų | 166 | 93.5 Ų | 93.5 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -84.7 | -14.7 | -178.5 | -155.5 | 177.2 | -176.7 | 179.4 | 0.1 | 111.8 | H312 | R289-H312 HydrophobicContact CB-CB 4.45Å; R289-H312 VanDerWaalsContact CB-O 3.26Å; R289-H312 WeakPolarHBondContact CB-O 3.03Å; R289-H312 PolarHBondContact N-O 3.45Å |
| 290 | F | 68.5 | Low | 66.8 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 20% | 0.197 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -129 | 140.2 | 178.1 | -54.7 | -63.3 | 0 | 0 | 0 | 110.7 | M234 D288 D292 C293 H312 | M234-F290 HydrophobicContact CB-CZ 4.08Å; M234-F290 HydrophobicContact CE-CE2 3.66Å; M234-F290 HydrophobicContact CE-CZ 3.82Å; M234-F290 HydrophobicContact CG-CZ 4.06Å; D288-F290 VanDerWaalsContact C-N 3.33Å; F290-D292 VanDerWaalsContact CB-OD1 3.31Å; F290-D292 WeakPolarHBondContact CB-OD1 3.25Å; F290-D292 PolarHBondContact O-N 3.09Å; F290-C293 WeakPolarHBondContact O-CB 3.28Å; F290-C293 PolarHBondContact O-N 2.79Å; F290-C293 PolarHBondContact O-SG 2.98Å; F290-H312 HydrophobicContact CD2-CB 3.78Å; F290-H312 HydrophobicContact CE2-CB 3.49Å; F290-H312 VanDerWaalsContact CE2-CB 3.49Å; F290-H312 AromaticContact CE2-CG 3.58Å; F290-H312 AromaticContact CE2-ND1 3.46Å; F290-H312 WeakPolarHBondContact CE2-ND1 3.25Å; F290-H312 AromaticContact CZ-ND1 3.8Å |
| 291 | D | 73.4 | Confident | 68.2 | Low | 168 Ų | 168 | 92.9 Ų | 92.9 | 90% | 0.898 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.7 | -175.1 | -56.1 | -30.2 | 0 | 0 | 0 | 113.2 | ||
| 292 | D | 71.8 | Confident | 68.6 | Low | 23 Ų | 23 | 90.2 Ų | 90.2 | 12% | 0.123 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 3.1 | 179.2 | 56.8 | 4.1 | 0 | 0 | 0 | 113.8 | F290 A294 Q295 F296 | F290-D292 VanDerWaalsContact CB-OD1 3.31Å; F290-D292 WeakPolarHBondContact CB-OD1 3.25Å; F290-D292 PolarHBondContact O-N 3.09Å; D292-A294 PolarHBondContact O-N 3.24Å; D292-A294 VanDerWaalsContact O-N 3.09Å; D292-Q295 WeakPolarHBondContact O-CA 3.33Å; D292-Q295 WeakPolarHBondContact O-CB 3.25Å; D292-Q295 PolarHBondContact O-N 3.26Å; D292-F296 HydrophobicContact CB-CD2 4.35Å; D292-F296 HydrophobicContact CB-CE2 4Å; D292-F296 VanDerWaalsContact O-CD2 3.28Å; D292-F296 WeakPolarHBondContact O-CD2 3.33Å; D292-F296 PolarHBondContact O-N 3.17Å |
| 293 | C | 71.5 | Confident | 68.9 | Low | 1 Ų | 1 | 97.4 Ų | 97.4 | 1% | 0.007 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -48.8 | -42 | 177.3 | -80.2 | 0 | 0 | 0 | 0 | 112.5 | D288 F290 Q295 F296 A297 C313 T316 | D288-C293 HydrophobicContact CB-CB 3.75Å; F290-C293 WeakPolarHBondContact O-CB 3.28Å; F290-C293 PolarHBondContact O-N 2.79Å; F290-C293 PolarHBondContact O-SG 2.98Å; C293-Q295 PolarHBondContact O-N 3.28Å; C293-F296 CarbonylContact O-C 3.17Å; C293-F296 WeakPolarHBondContact O-CA 3.19Å; C293-F296 PolarHBondContact O-N 2.79Å; C293-A297 PolarHBondContact O-N 3.43Å; C293-C313 VanDerWaalsContact CA-SG 3.53Å; C293-C313 HydrophobicContact CB-CB 3.56Å; C293-C313 WeakPolarHBondContact CB-SG 3.48Å; C293-C313 WeakPolarHBondContact SG-CA 3.39Å; C293-C313 WeakPolarHBondContact SG-CB 3.09Å; C293-C313 CovalentContact SG-SG 2.03Å; C293-C313 PolarHBondContact SG-SG 2.98Å; C293-T316 WeakPolarHBondContact CB-OG1 3.41Å; C293-T316 WeakPolarHBondContact O-CG2 3.09Å |
| 294 | A | 81.3 | Confident | 68.3 | Low | 73 Ų | 73 | 91.1 Ų | 91.1 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -56.1 | -34.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D292 F296 A297 T316 | D292-A294 PolarHBondContact O-N 3.24Å; D292-A294 VanDerWaalsContact O-N 3.09Å; A294-F296 VanDerWaalsContact C-N 3.32Å; A294-A297 WeakPolarHBondContact O-CB 3.42Å; A294-A297 PolarHBondContact O-N 3.45Å; A294-T316 PolarHBondContact N-OG1 3.35Å |
| 295 | Q | 65.2 | Low | 67.7 | Low | 76 Ų | 76 | 88.4 Ų | 88.4 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -73.3 | -28.9 | 178.4 | -54.6 | -177 | 16.6 | 0 | 0 | 111.6 | D292 C293 | D292-Q295 WeakPolarHBondContact O-CA 3.33Å; D292-Q295 WeakPolarHBondContact O-CB 3.25Å; D292-Q295 PolarHBondContact O-N 3.26Å; C293-Q295 PolarHBondContact O-N 3.28Å |
| 296 | F | 59.9 | Low | 67.2 | Low | 13 Ų | 13 | 87.1 Ų | 87.1 | 6% | 0.057 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -91.5 | 7.2 | 177.6 | -61.9 | -71.3 | 0 | 0 | 0 | 113.7 | L66 L120 Y121 D292 C293 A294 R298 Y299 M309 | L66-F296 HydrophobicContact CD1-CE1 4.29Å; L66-F296 HydrophobicContact CD1-CZ 3.79Å; L66-F296 HydrophobicContact CD2-CE2 4.04Å; L66-F296 HydrophobicContact CD2-CZ 3.76Å; L66-F296 HydrophobicContact CG-CZ 4.46Å; L120-F296 WeakPolarHBondContact O-CE1 3.5Å; L120-F296 WeakPolarHBondContact O-CZ 3.21Å; Y121-F296 HydrophobicContact CD1-CD1 4.02Å; Y121-F296 AromaticContact CD1-CE1 3.81Å; Y121-F296 HydrophobicContact CD1-CE1 3.81Å; Y121-F296 HydrophobicContact CD1-CZ 4.11Å; Y121-F296 AromaticContact CE1-CD1 3.51Å; Y121-F296 HydrophobicContact CE1-CD1 3.51Å; Y121-F296 AromaticContact CE1-CE1 3.78Å; Y121-F296 HydrophobicContact CE1-CE1 3.78Å; Y121-F296 AromaticContact CE1-CG 3.99Å; Y121-F296 HydrophobicContact CE1-CG 3.99Å; Y121-F296 HydrophobicContact CE1-CZ 4.43Å; Y121-F296 HydrophobicContact CG-CE1 4.4Å; D292-F296 HydrophobicContact CB-CD2 4.35Å; D292-F296 HydrophobicContact CB-CE2 4Å; D292-F296 VanDerWaalsContact O-CD2 3.28Å; D292-F296 WeakPolarHBondContact O-CD2 3.33Å; D292-F296 PolarHBondContact O-N 3.17Å; C293-F296 CarbonylContact O-C 3.17Å; C293-F296 WeakPolarHBondContact O-CA 3.19Å; C293-F296 PolarHBondContact O-N 2.79Å; A294-F296 VanDerWaalsContact C-N 3.32Å; F296-R298 PolarHBondContact O-N 2.03Å; F296-Y299 HydrophobicContact CB-CD2 4.04Å; F296-Y299 AromaticContact CD1-CD2 3.72Å; F296-Y299 HydrophobicContact CD1-CD2 3.72Å; F296-Y299 AromaticContact CD1-CE2 3.68Å; F296-Y299 HydrophobicContact CD1-CE2 3.68Å; F296-Y299 HydrophobicContact CE1-CE2 4.35Å; F296-Y299 HydrophobicContact CG-CD2 4.39Å; F296-Y299 WeakPolarHBondContact O-CA 3.31Å; F296-Y299 WeakPolarHBondContact O-CB 3.46Å; F296-Y299 PolarHBondContact O-N 3.42Å; F296-M309 HydrophobicContact CB-CE 3.61Å; F296-M309 HydrophobicContact CB-SD 3.77Å; F296-M309 WeakPolarHBondContact O-CE 3.46Å |
| 297 | A | 74.2 | Confident | 66.3 | Low | 43 Ų | 43 | 88.8 Ų | 88.8 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -51.7 | -32.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C293 A294 Y299 C300 T316 | C293-A297 PolarHBondContact O-N 3.43Å; A294-A297 WeakPolarHBondContact O-CB 3.42Å; A294-A297 PolarHBondContact O-N 3.45Å; A297-Y299 PolarHBondContact O-N 3.43Å; A297-C300 WeakPolarHBondContact O-CB 3.28Å; A297-C300 PolarHBondContact O-N 2.93Å; A297-C300 PolarHBondContact O-SG 3Å; A297-T316 HydrophobicContact CB-CG2 3.59Å |
| 298 | R | 67.4 | Low | 64.8 | Low | 145 Ų | 145 | 82.4 Ų | 82.4 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -61.3 | -26.8 | 175 | 67.6 | 176.4 | 175.9 | 155.6 | -5.3 | 113.8 | F296 | F296-R298 PolarHBondContact O-N 2.03Š|
| 299 | Y | 54.2 | Low | 64.5 | Low | 3 Ų | 3 | 80.5 Ų | 80.5 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -83.1 | -13.9 | -177.6 | -66.7 | -84.6 | 0 | 0 | 0 | 113.7 | Y121 F296 A297 R301 R302 F305 | Y121-Y299 HydrophobicContact CE2-CE1 4.23Å; Y121-Y299 VanDerWaalsContact OH-CB 3.25Å; Y121-Y299 WeakPolarHBondContact OH-CB 3.26Å; Y121-Y299 WeakPolarHBondContact OH-CD1 3.46Å; Y121-Y299 VanDerWaalsContact OH-CD2 3.28Å; Y121-Y299 WeakPolarHBondContact OH-CD2 3.4Å; Y121-Y299 WeakPolarHBondContact OH-CE1 3.27Å; F296-Y299 HydrophobicContact CB-CD2 4.04Å; F296-Y299 AromaticContact CD1-CD2 3.72Å; F296-Y299 HydrophobicContact CD1-CD2 3.72Å; F296-Y299 AromaticContact CD1-CE2 3.68Å; F296-Y299 HydrophobicContact CD1-CE2 3.68Å; F296-Y299 HydrophobicContact CE1-CE2 4.35Å; F296-Y299 HydrophobicContact CG-CD2 4.39Å; F296-Y299 WeakPolarHBondContact O-CA 3.31Å; F296-Y299 WeakPolarHBondContact O-CB 3.46Å; F296-Y299 PolarHBondContact O-N 3.42Å; A297-Y299 PolarHBondContact O-N 3.43Å; Y299-R301 PolarHBondContact O-N 3.17Å; Y299-R301 VanDerWaalsContact O-N 3.09Å; Y299-R302 HydrophobicContact CD1-CB 4.34Å; Y299-R302 HydrophobicContact CD1-CG 4.31Å; Y299-R302 PolarHBondContact O-N 3.29Å; Y299-F305 HydrophobicContact CD1-CB 4.28Å; Y299-F305 AromaticContact CD1-CD2 3.56Å; Y299-F305 HydrophobicContact CD1-CD2 3.56Å; Y299-F305 HydrophobicContact CD1-CE2 4.07Å; Y299-F305 AromaticContact CD1-CG 3.97Å; Y299-F305 HydrophobicContact CD1-CG 3.97Å; Y299-F305 HydrophobicContact CE1-CD2 4.04Å; Y299-F305 HydrophobicContact CE1-CE2 4.06Å |
| 300 | C | 73.8 | Confident | 64.6 | Low | 15 Ų | 15 | 74.6 Ų | 74.6 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -54.3 | -29.3 | 169.7 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | A297 C317 | A297-C300 WeakPolarHBondContact O-CB 3.28Å; A297-C300 PolarHBondContact O-N 2.93Å; A297-C300 PolarHBondContact O-SG 3Å; C300-C317 HydrophobicContact CB-CB 3.67Å; C300-C317 WeakPolarHBondContact CB-SG 3.47Å; C300-C317 WeakPolarHBondContact SG-CA 3.42Å; C300-C317 WeakPolarHBondContact SG-CB 3.2Å; C300-C317 CovalentContact SG-SG 2.03Å; C300-C317 PolarHBondContact SG-SG 3Å |
| 301 | R | 71.1 | Confident | 65.1 | Low | 230 Ų | 230 | 78.7 Ų | 78.7 | 87% | 0.868 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -94.9 | -8.1 | 179 | -55.2 | -173.8 | -163.2 | 177.6 | 5.3 | 113.9 | Y299 | Y299-R301 PolarHBondContact O-N 3.17Å; Y299-R301 VanDerWaalsContact O-N 3.09Å |
| 302 | R | 49.4 | Very low | 65.5 | Low | 117 Ų | 117 | 71.4 Ų | 71.4 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | trans | -87.6 | 120.2 | 179.7 | -77.1 | -160.2 | 168.2 | -164.8 | -1.5 | 110 | Y299 A304 F305 R306 | Y299-R302 HydrophobicContact CD1-CB 4.34Å; Y299-R302 HydrophobicContact CD1-CG 4.31Å; Y299-R302 PolarHBondContact O-N 3.29Å; R302-A304 VanDerWaalsContact C-N 3.28Å; R302-A304 PolarHBondContact O-N 2.8Å; R302-A304 VanDerWaalsContact O-N 3.14Å; R302-F305 HydrophobicContact CB-CD2 4.15Å; R302-F305 PolarHBondContact O-N 3.36Å; R302-R306 PolarHBondContact O-N 3.14Å | ||
| 303 | F | 46.6 | Very low | 65.9 | Low | 204 Ų | 204 | 70.5 Ų | 70.5 | 90% | 0.895 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -48.1 | -45.9 | -176.3 | 179.9 | -99.7 | 0 | 0 | 0 | 113.7 | F305 | F303-F305 VanDerWaalsContact C-N 3.28Å; F303-F305 PolarHBondContact O-N 3.47Å |
| 304 | A | 39.4 | Very low | 66.8 | Low | 69 Ų | 69 | 72.8 Ų | 72.8 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.5 | -31.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R302 | R302-A304 VanDerWaalsContact C-N 3.28Å; R302-A304 PolarHBondContact O-N 2.8Å; R302-A304 VanDerWaalsContact O-N 3.14Å |
| 305 | F | 45.8 | Very low | 67.4 | Low | 45 Ų | 45 | 75.9 Ų | 75.9 | 20% | 0.197 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -107.6 | -11.9 | -172.9 | -61.9 | -75.9 | 0 | 0 | 0 | 113.2 | Y121 Y299 R302 F303 H307 V308 M309 | Y121-F305 HydrophobicContact CD2-CD1 4.4Å; Y121-F305 AromaticContact CD2-CE1 3.88Å; Y121-F305 HydrophobicContact CD2-CE1 3.88Å; Y121-F305 HydrophobicContact CD2-CZ 4.47Å; Y121-F305 HydrophobicContact CE1-CD1 4.44Å; Y121-F305 AromaticContact CE2-CD1 3.51Å; Y121-F305 HydrophobicContact CE2-CD1 3.51Å; Y121-F305 AromaticContact CE2-CE1 3.2Å; Y121-F305 HydrophobicContact CE2-CE1 3.2Å; Y121-F305 HydrophobicContact CE2-CE2 4.37Å; Y121-F305 HydrophobicContact CE2-CG 4.22Å; Y121-F305 AromaticContact CE2-CZ 3.68Å; Y121-F305 HydrophobicContact CE2-CZ 3.68Å; Y121-F305 AromaticContact CZ-CD1 3.51Å; Y121-F305 AromaticContact CZ-CE1 3.75Å; Y121-F305 AromaticContact CZ-CG 3.99Å; Y121-F305 VanDerWaalsContact OH-CD1 3.25Å; Y121-F305 WeakPolarHBondContact OH-CD1 3.06Å; Y121-F305 VanDerWaalsContact OH-CG 3.25Å; Y121-F305 WeakPolarHBondContact OH-CG 3.2Å; Y299-F305 HydrophobicContact CD1-CB 4.28Å; Y299-F305 AromaticContact CD1-CD2 3.56Å; Y299-F305 HydrophobicContact CD1-CD2 3.56Å; Y299-F305 HydrophobicContact CD1-CE2 4.07Å; Y299-F305 AromaticContact CD1-CG 3.97Å; Y299-F305 HydrophobicContact CD1-CG 3.97Å; Y299-F305 HydrophobicContact CE1-CD2 4.04Å; Y299-F305 HydrophobicContact CE1-CE2 4.06Å; R302-F305 HydrophobicContact CB-CD2 4.15Å; R302-F305 PolarHBondContact O-N 3.36Å; F303-F305 VanDerWaalsContact C-N 3.28Å; F303-F305 PolarHBondContact O-N 3.47Å; F305-H307 PolarHBondContact O-N 2.74Å; F305-H307 VanDerWaalsContact O-N 3.17Å; F305-V308 PolarHBondContact O-N 3.32Å; F305-M309 HydrophobicContact CB-CG 4.28Å; F305-M309 WeakPolarHBondContact O-CB 3.28Å; F305-M309 VanDerWaalsContact O-CG 3.27Å; F305-M309 WeakPolarHBondContact O-CG 3.43Å; F305-M309 PolarHBondContact O-N 2.88Å |
| 306 | R | 62 | Low | 68.7 | Low | 127 Ų | 127 | 73.8 Ų | 73.8 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.2 | -39.3 | -177.2 | -174.8 | 162.3 | -178.9 | 172.7 | 0.3 | 112.6 | R302 V308 M309 D310 | R302-R306 PolarHBondContact O-N 3.14Å; R306-V308 PolarHBondContact O-N 2.03Å; R306-M309 PolarHBondContact O-N 3.19Å; R306-D310 WeakPolarHBondContact CG-OD2 3.33Å; R306-D310 IonicContact NE-OD2 2.81Å; R306-D310 PolarHBondContact NE-OD2 2.57Å; R306-D310 WeakPolarHBondContact O-CB 3.09Å; R306-D310 PolarHBondContact O-N 3.5Å |
| 307 | H | 63.6 | Low | 70 | Confident | 98 Ų | 98 | 74 Ų | 74 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -37 | 178.3 | 97.6 | -73.3 | 0 | 0 | 0 | 113.5 | K232 F305 K311 | K232-H307 PolarHBondContact NZ-NE2 2.7Å; F305-H307 PolarHBondContact O-N 2.74Å; F305-H307 VanDerWaalsContact O-N 3.17Å; H307-K311 VanDerWaalsContact O-CB 3.28Å; H307-K311 WeakPolarHBondContact O-CB 3.43Å; H307-K311 PolarHBondContact O-N 3.4Å |
| 308 | V | 58.2 | Low | 70.9 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -71 | -49.1 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | M234 F305 R306 D310 K311 H312 | M234-V308 HydrophobicContact CE-CG1 4.35Å; M234-V308 HydrophobicContact SD-CG1 4.34Å; F305-V308 PolarHBondContact O-N 3.32Å; R306-V308 PolarHBondContact O-N 2.03Å; V308-D310 PolarHBondContact O-N 3.26Å; V308-K311 PolarHBondContact O-N 3.39Å; V308-K311 VanDerWaalsContact O-N 3.14Å; V308-H312 WeakPolarHBondContact O-CB 3.36Å; V308-H312 PolarHBondContact O-CD2 3.45Å; V308-H312 PolarHBondContact O-N 3.38Å |
| 309 | M | 77.1 | Confident | 71.9 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | -177.4 | -67.7 | -59.2 | -58.4 | 0 | 0 | 111.6 | F296 F305 R306 K311 C313 C317 | F296-M309 HydrophobicContact CB-CE 3.61Å; F296-M309 HydrophobicContact CB-SD 3.77Å; F296-M309 WeakPolarHBondContact O-CE 3.46Å; F305-M309 HydrophobicContact CB-CG 4.28Å; F305-M309 WeakPolarHBondContact O-CB 3.28Å; F305-M309 VanDerWaalsContact O-CG 3.27Å; F305-M309 WeakPolarHBondContact O-CG 3.43Å; F305-M309 PolarHBondContact O-N 2.88Å; R306-M309 PolarHBondContact O-N 3.19Å; M309-K311 VanDerWaalsContact C-N 3.27Å; M309-K311 PolarHBondContact O-N 2.8Å; M309-C313 HydrophobicContact CE-CB 3.68Å; M309-C313 CarbonylContact O-C 3.32Å; M309-C313 WeakPolarHBondContact O-CA 3.35Å; M309-C313 WeakPolarHBondContact O-CB 3.21Å; M309-C313 PolarHBondContact O-N 2.96Å; M309-C313 HydrophobicContact SD-CB 4.42Å; M309-C317 VanDerWaalsContact CB-SG 3.52Å |
| 310 | D | 82.1 | Confident | 73.2 | Confident | 41 Ų | 41 | 75.8 Ų | 75.8 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.3 | -18.5 | 176.8 | -70.6 | -12.7 | 0 | 0 | 0 | 113.2 | R306 V308 R314 T319 | R306-D310 WeakPolarHBondContact CG-OD2 3.33Å; R306-D310 IonicContact NE-OD2 2.81Å; R306-D310 PolarHBondContact NE-OD2 2.57Å; R306-D310 WeakPolarHBondContact O-CB 3.09Å; R306-D310 PolarHBondContact O-N 3.5Å; V308-D310 PolarHBondContact O-N 3.26Å; D310-R314 WeakPolarHBondContact O-CG 3.39Å; D310-T319 HydrophobicContact CB-CG2 4.38Å; D310-T319 WeakPolarHBondContact OD1-CG2 3.42Å; D310-T319 PolarHBondContact OD1-OG1 3.5Å |
| 311 | K | 79.3 | Confident | 73 | Confident | 131 Ų | 131 | 84.4 Ų | 84.4 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -90.8 | -39.8 | 176.9 | -178.2 | 178.5 | 175.4 | -170.1 | 0 | 112.1 | H307 V308 M309 | H307-K311 VanDerWaalsContact O-CB 3.28Å; H307-K311 WeakPolarHBondContact O-CB 3.43Å; H307-K311 PolarHBondContact O-N 3.4Å; V308-K311 PolarHBondContact O-N 3.39Å; V308-K311 VanDerWaalsContact O-N 3.14Å; M309-K311 VanDerWaalsContact C-N 3.27Å; M309-K311 PolarHBondContact O-N 2.8Å |
| 312 | H | 81.2 | Confident | 72.2 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 7% | 0.069 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -109.8 | -25.3 | -168.6 | -66.2 | -85.6 | 0 | 0 | 0 | 113.7 | R289 F290 V308 | R289-H312 HydrophobicContact CB-CB 4.45Å; R289-H312 VanDerWaalsContact CB-O 3.26Å; R289-H312 WeakPolarHBondContact CB-O 3.03Å; R289-H312 PolarHBondContact N-O 3.45Å; F290-H312 HydrophobicContact CD2-CB 3.78Å; F290-H312 HydrophobicContact CE2-CB 3.49Å; F290-H312 VanDerWaalsContact CE2-CB 3.49Å; F290-H312 AromaticContact CE2-CG 3.58Å; F290-H312 AromaticContact CE2-ND1 3.46Å; F290-H312 WeakPolarHBondContact CE2-ND1 3.25Å; F290-H312 AromaticContact CZ-ND1 3.8Å; V308-H312 WeakPolarHBondContact O-CB 3.36Å; V308-H312 PolarHBondContact O-CD2 3.45Å; V308-H312 PolarHBondContact O-N 3.38Å |
| 313 | C | 80.7 | Confident | 73.3 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.034 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -120.1 | 43.6 | -177.9 | -62 | 0 | 0 | 0 | 0 | 110.4 | D288 C293 M309 K315 T316 C317 | D288-C313 WeakPolarHBondContact OD1-CA 3Å; C293-C313 VanDerWaalsContact CA-SG 3.53Å; C293-C313 HydrophobicContact CB-CB 3.56Å; C293-C313 WeakPolarHBondContact CB-SG 3.48Å; C293-C313 WeakPolarHBondContact SG-CA 3.39Å; C293-C313 WeakPolarHBondContact SG-CB 3.09Å; C293-C313 CovalentContact SG-SG 2.03Å; C293-C313 PolarHBondContact SG-SG 2.98Å; M309-C313 HydrophobicContact CE-CB 3.68Å; M309-C313 CarbonylContact O-C 3.32Å; M309-C313 WeakPolarHBondContact O-CA 3.35Å; M309-C313 WeakPolarHBondContact O-CB 3.21Å; M309-C313 PolarHBondContact O-N 2.96Å; M309-C313 HydrophobicContact SD-CB 4.42Å; C313-K315 VanDerWaalsContact C-N 3.26Å; C313-K315 PolarHBondContact O-N 2.82Å; C313-T316 PolarHBondContact O-N 3.26Å; C313-C317 WeakPolarHBondContact O-CB 2.96Å; C313-C317 PolarHBondContact O-N 3.17Å; C313-C317 PolarHBondContact O-SG 3.44Å; C313-C317 VanDerWaalsContact O-SG 3.42Å |
| 314 | R | 91.6 | Very high | 74.7 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.9 | -173.1 | -74 | -176.2 | 80.2 | -155.9 | 4.6 | 113 | D288 D310 K318 T319 C320 | D288-R314 PolarHBondContact OD1-N 2.89Å; D310-R314 WeakPolarHBondContact O-CG 3.39Å; R314-K318 CarbonylContact O-C 3.6Å; R314-K318 WeakPolarHBondContact O-CA 3.42Å; R314-K318 PolarHBondContact O-N 3.1Å; R314-T319 PolarHBondContact NE-O 2.9Å; R314-T319 PolarHBondContact NH2-O 2.92Å; R314-T319 PolarHBondContact O-N 3.35Å; R314-C320 VanDerWaalsContact C-SG 3.55Å; R314-C320 VanDerWaalsContact NH2-C 3.32Å; R314-C320 PolarHBondContact NH2-O 3.08Å |
| 315 | K | 93.1 | Very high | 76.7 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -46.3 | -179.6 | -178 | -178 | 178.6 | -179.7 | 0 | 110 | D288 C313 C317 K318 | D288-K315 WeakPolarHBondContact OD1-CA 3.35Å; D288-K315 WeakPolarHBondContact OD1-CB 3.34Å; D288-K315 PolarHBondContact OD1-N 3.2Å; C313-K315 VanDerWaalsContact C-N 3.26Å; C313-K315 PolarHBondContact O-N 2.82Å; K315-C317 VanDerWaalsContact C-N 3.35Å; K315-C317 PolarHBondContact O-N 3.3Å; K315-K318 PolarHBondContact O-N 3.21Å |
| 316 | T | 91.6 | Very high | 78.5 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 20% | 0.202 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -43.1 | 175.1 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | D288 C293 A294 A297 C313 K318 | D288-T316 VanDerWaalsContact CG-OG1 3.32Å; D288-T316 PolarHBondContact OD1-N 2.98Å; D288-T316 WeakPolarHBondContact OD2-CB 3.26Å; D288-T316 PolarHBondContact OD2-N 3.14Å; D288-T316 VanDerWaalsContact OD2-N 3.14Å; D288-T316 PolarHBondContact OD2-OG1 2.94Å; C293-T316 WeakPolarHBondContact CB-OG1 3.41Å; C293-T316 WeakPolarHBondContact O-CG2 3.09Å; A294-T316 PolarHBondContact N-OG1 3.35Å; A297-T316 HydrophobicContact CB-CG2 3.59Å; C313-T316 PolarHBondContact O-N 3.26Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 PolarHBondContact O-N 2.68Å |
| 317 | C | 87.7 | Confident | 79.5 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 12% | 0.122 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.2 | -179 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | C300 M309 C313 K315 T319 | C300-C317 HydrophobicContact CB-CB 3.67Å; C300-C317 WeakPolarHBondContact CB-SG 3.47Å; C300-C317 WeakPolarHBondContact SG-CA 3.42Å; C300-C317 WeakPolarHBondContact SG-CB 3.2Å; C300-C317 CovalentContact SG-SG 2.03Å; C300-C317 PolarHBondContact SG-SG 3Å; M309-C317 VanDerWaalsContact CB-SG 3.52Å; C313-C317 WeakPolarHBondContact O-CB 2.96Å; C313-C317 PolarHBondContact O-N 3.17Å; C313-C317 PolarHBondContact O-SG 3.44Å; C313-C317 VanDerWaalsContact O-SG 3.42Å; K315-C317 VanDerWaalsContact C-N 3.35Å; K315-C317 PolarHBondContact O-N 3.3Å; C317-T319 VanDerWaalsContact C-N 3.27Å; C317-T319 HydrophobicContact CB-CG2 4.2Å; C317-T319 PolarHBondContact O-N 2Å |
| 318 | K | 92.8 | Very high | 80.6 | Confident | 187 Ų | 187 | 70.7 Ų | 70.7 | 81% | 0.813 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 39.4 | -178.2 | -51.1 | -177.7 | 179.8 | -173.6 | 0 | 112.7 | R314 K315 T316 | R314-K318 CarbonylContact O-C 3.6Å; R314-K318 WeakPolarHBondContact O-CA 3.42Å; R314-K318 PolarHBondContact O-N 3.1Å; K315-K318 PolarHBondContact O-N 3.21Å; T316-K318 VanDerWaalsContact C-N 3.31Å; T316-K318 PolarHBondContact O-N 2.68Å |
| 319 | T | 87.9 | Confident | 82.2 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 7% | 0.067 | 35% | 0.352 | C | S | . | . | trans | -110.7 | 23.8 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | D310 R314 C317 E321 I322 | D310-T319 HydrophobicContact CB-CG2 4.38Å; D310-T319 WeakPolarHBondContact OD1-CG2 3.42Å; D310-T319 PolarHBondContact OD1-OG1 3.5Å; R314-T319 PolarHBondContact NE-O 2.9Å; R314-T319 PolarHBondContact NH2-O 2.92Å; R314-T319 PolarHBondContact O-N 3.35Å; C317-T319 VanDerWaalsContact C-N 3.27Å; C317-T319 HydrophobicContact CB-CG2 4.2Å; C317-T319 PolarHBondContact O-N 2Å; T319-E321 PolarHBondContact O-N 3.27Å; T319-I322 HydrophobicContact CG2-CD1 3.71Å | ||
| 320 | C | 82.4 | Confident | 82.6 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.3 | 178.7 | -69.5 | 0 | 0 | 0 | 0 | 114.8 | C286 R314 | C286-C320 VanDerWaalsContact CA-SG 3.58Å; C286-C320 HydrophobicContact CB-CB 3.47Å; C286-C320 VanDerWaalsContact CB-CB 3.47Å; C286-C320 WeakPolarHBondContact CB-SG 2.89Å; C286-C320 WeakPolarHBondContact SG-CB 3.03Å; C286-C320 CovalentContact SG-SG 2Å; C286-C320 PolarHBondContact SG-SG 3.34Å; R314-C320 VanDerWaalsContact C-SG 3.55Å; R314-C320 VanDerWaalsContact NH2-C 3.32Å; R314-C320 PolarHBondContact NH2-O 3.08Å |
| 321 | E | 69 | Low | 82.6 | Confident | 196 Ų | 196 | 82.4 Ų | 82.4 | 92% | 0.916 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 8.6 | -173.4 | -61.8 | -175.1 | 168.8 | 0 | 0 | 114.1 | T319 | T319-E321 PolarHBondContact O-N 3.27Š|
| 322 | I | 53.9 | Low | 82.9 | Confident | 177 Ų | 177 | 78 Ų | 78 | 91% | 0.908 | 37% | 0.374 | S | S | * | . | trans | -88.6 | 0 | 175.9 | -49.3 | 179 | 0 | 0 | 0 | 110.5 | T319 | T319-I322 HydrophobicContact CG2-CD1 3.71Š|
Retrieved 322 of 322 residues in 135.5 ms
(Link to these results)