| 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 | R | 83.9 | Confident | 96 | Very high | 289 Ų | 289 | 99.2 Ų | 99.2 | 100% | 1.091 | 45% | 0.451 | S | S | * | . | 0 | 125.2 | 0 | 178.8 | 178.3 | -179.8 | 176.6 | 0.4 | 106.7 | H28 | R1-H28 PolarHBondContact O-CE1 3.47Å; R1-H28 VanDerWaalsContact O-CE1 3.22Å | |||
| 2 | F | 91.8 | Very high | 96.1 | Very high | 153 Ų | 153 | 96.8 Ų | 96.8 | 67% | 0.671 | 44% | 0.439 | S | S | * | . | trans | -103.3 | 159.5 | 175.5 | 63.6 | -88.1 | 0 | 0 | 0 | 111 | Y27 H28 | F2-Y27 HydrophobicContact CB-CE2 4.15Å; F2-H28 WeakPolarHBondContact CA-NE2 3.31Å | ||
| 3 | L | 96.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | trans | -135.8 | 118.7 | 175.8 | 177.7 | 67.7 | 0 | 0 | 0 | 109.3 | Q5 H28 | L3-Q5 HydrophobicContact CD1-CG 4.14Å; L3-Q5 HydrophobicContact CD2-CG 4.25Å; L3-Q5 HydrophobicContact CG-CG 3.98Å; L3-H28 PolarHBondContact O-N 2.95Å | ||
| 4 | E | 96.6 | Very high | 96 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.8 | 171.7 | -166.2 | 80 | -153.4 | 0 | 0 | 108.2 | F26 Y27 Y32 | E4-F26 WeakPolarHBondContact CA-O 3.39Å; E4-Y27 WeakPolarHBondContact OE2-CD2 3.38Å; E4-Y32 WeakPolarHBondContact OE1-CE1 3.14Å; E4-Y32 PolarHBondContact OE1-OH 3.02Å |
| 5 | Q | 98.1 | Very high | 95.8 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.3 | 174.9 | -55.9 | 178.1 | -50.2 | 0 | 0 | 110.4 | L3 F26 | L3-Q5 HydrophobicContact CD1-CG 4.14Å; L3-Q5 HydrophobicContact CD2-CG 4.25Å; L3-Q5 HydrophobicContact CG-CG 3.98Å; Q5-F26 HydrophobicContact CB-CB 4.2Å; Q5-F26 HydrophobicContact CB-CD2 4.48Å; Q5-F26 PolarHBondContact N-O 3.46Å; Q5-F26 PolarHBondContact O-N 2.88Å |
| 6 | V | 97.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 91.9 Ų | 91.9 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.5 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | R24 Y25 | V6-R24 CarbonylContact C-O 3.59Å; V6-R24 WeakPolarHBondContact CA-O 3.42Å; V6-Y25 HydrophobicContact CB-CE1 4.5Å; V6-Y25 HydrophobicContact CG1-CD1 4.22Å; V6-Y25 HydrophobicContact CG1-CE1 3.92Å; V6-Y25 HydrophobicContact CG2-CD1 3.64Å; V6-Y25 HydrophobicContact CG2-CE1 3.74Å |
| 7 | K | 98.3 | Very high | 95.7 | Very high | 99 Ų | 99 | 94.3 Ų | 94.3 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.2 | 175.2 | -64.3 | -172.7 | 178.6 | -178 | 0 | 110.2 | E9 D23 R24 F26 | K7-E9 HydrophobicContact CB-CG 4.23Å; K7-D23 WeakPolarHBondContact O-CA 3.37Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 3.5Å; K7-R24 PolarHBondContact O-N 2.89Å; K7-F26 HydrophobicContact CB-CE2 4.18Å; K7-F26 HydrophobicContact CD-CE2 3.84Å; K7-F26 HydrophobicContact CD-CZ 4.15Å; K7-F26 HydrophobicContact CG-CD2 4.5Å; K7-F26 HydrophobicContact CG-CE2 3.87Å |
| 8 | H | 98 | Very high | 95.8 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 44% | 0.44 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 113.1 | 167.7 | -54.5 | -55.3 | 0 | 0 | 0 | 107.6 | F21 L22 D23 | H8-F21 HydrophobicContact CB-CE2 4.09Å; H8-F21 HydrophobicContact CB-CZ 4.46Å; H8-L22 CarbonylContact C-O 3.54Å; H8-L22 WeakPolarHBondContact CA-O 3.42Å; H8-D23 IonicContact CE1-OD1 3.69Å; H8-D23 PolarHBondContact CE1-OD1 2.98Å; H8-D23 IonicContact ND1-OD1 3.49Å; H8-D23 PolarHBondContact ND1-OD1 3.09Å |
| 9 | E | 98.4 | Very high | 96 | Very high | 43 Ų | 43 | 93.1 Ų | 93.1 | 20% | 0.201 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.3 | -174.9 | -51.6 | 175.9 | -164.4 | 0 | 0 | 109.8 | K7 H11 F21 L22 R24 | K7-E9 HydrophobicContact CB-CG 4.23Å; E9-H11 IonicContact OE2-CE1 2.73Å; E9-H11 IonicContact OE2-NE2 3.62Å; E9-H11 PolarHBondContact OE2-NE2 3.23Å; E9-F21 WeakPolarHBondContact O-CA 3.3Å; E9-F21 WeakPolarHBondContact O-CD2 3.33Å; E9-L22 HydrophobicContact CB-CB 4.21Å; E9-L22 PolarHBondContact N-O 3.44Å; E9-L22 PolarHBondContact O-N 3.24Å; E9-R24 VanDerWaalsContact OE1-CD 3.3Å; E9-R24 WeakPolarHBondContact OE1-CD 3.49Å; E9-R24 IonicContact OE1-CZ 3.26Å; E9-R24 IonicContact OE1-NE 3.77Å; E9-R24 IonicContact OE1-NH1 2.72Å; E9-R24 PolarHBondContact OE1-NH1 2.96Å; E9-R24 IonicContact OE2-NH1 3.74Å |
| 10 | C | 98.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 92.3 Ų | 92.3 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 113.6 | 171.6 | -63.3 | 0 | 0 | 0 | 0 | 108.4 | F12 C74 | C10-F12 HydrophobicContact CB-CD2 4.28Å; C10-F12 HydrophobicContact CB-CE1 4.45Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.5Å; C10-F12 WeakPolarHBondContact O-CD2 3.43Å; C10-F12 WeakPolarHBondContact O-CE2 3.48Å; C10-C74 HydrophobicContact CB-CB 3.61Å; C10-C74 WeakPolarHBondContact CB-SG 3.38Å; C10-C74 WeakPolarHBondContact SG-CA 3.41Å; C10-C74 WeakPolarHBondContact SG-CB 3.41Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.2Å |
| 11 | H | 98.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 88.2 Ų | 88.2 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.1 | 178.7 | -66.4 | -105.6 | 0 | 0 | 0 | 108.7 | E9 F13 V19 R20 | E9-H11 IonicContact OE2-CE1 2.73Å; E9-H11 IonicContact OE2-NE2 3.62Å; E9-H11 PolarHBondContact OE2-NE2 3.23Å; H11-F13 HydrophobicContact CB-CE2 3.98Å; H11-F13 HydrophobicContact CB-CZ 4.26Å; H11-V19 WeakPolarHBondContact O-CA 3.41Å; H11-R20 HydrophobicContact CB-CB 4.31Å; H11-R20 PolarHBondContact N-O 3.31Å; H11-R20 PolarHBondContact O-N 3.49Å |
| 12 | F | 97.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 75 Ų | 75 | 31% | 0.311 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.2 | -174.6 | -63.1 | -81 | 0 | 0 | 0 | 110.3 | C10 G15 T16 V19 C74 Y78 | C10-F12 HydrophobicContact CB-CD2 4.28Å; C10-F12 HydrophobicContact CB-CE1 4.45Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.5Å; C10-F12 WeakPolarHBondContact O-CD2 3.43Å; C10-F12 WeakPolarHBondContact O-CE2 3.48Å; F12-G15 WeakPolarHBondContact CB-O 3.3Å; F12-T16 HydrophobicContact CD1-CG2 4.39Å; F12-V19 HydrophobicContact CD1-CG1 4.07Å; F12-V19 HydrophobicContact CD1-CG2 3.77Å; F12-V19 HydrophobicContact CE1-CG1 3.87Å; F12-V19 HydrophobicContact CE1-CG2 4.08Å; F12-C74 HydrophobicContact CE1-CB 4.12Å; F12-C74 HydrophobicContact CZ-CB 3.97Å; F12-C74 WeakPolarHBondContact CZ-O 3.12Å; F12-Y78 HydrophobicContact CB-CE2 4.32Å; F12-Y78 AromaticContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CE2 4.08Å; F12-Y78 HydrophobicContact CD1-CG 4.19Å; F12-Y78 AromaticContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CE2 4.4Å; F12-Y78 AromaticContact CE1-CD2 3.58Å; F12-Y78 HydrophobicContact CE1-CD2 3.58Å; F12-Y78 AromaticContact CE1-CG 3.91Å; F12-Y78 HydrophobicContact CE1-CG 3.91Å; F12-Y78 AromaticContact CE2-CD2 3.95Å; F12-Y78 HydrophobicContact CE2-CD2 3.95Å; F12-Y78 AromaticContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CE2 4.02Å; F12-Y78 AromaticContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CG 4.23Å |
| 13 | F | 95.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 40% | 0.404 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.1 | 175.9 | -54.8 | -87 | 0 | 0 | 0 | 109.4 | H11 R18 | H11-F13 HydrophobicContact CB-CE2 3.98Å; H11-F13 HydrophobicContact CB-CZ 4.26Å; F13-R18 HydrophobicContact CB-CB 4.28Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 PolarHBondContact N-O 3.5Å; F13-R18 PolarHBondContact O-N 3.17Å |
| 14 | N | 94.4 | Very high | 97.3 | Very high | 130 Ų | 130 | 66.7 Ų | 66.7 | 70% | 0.695 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 54.4 | -174.3 | -60.4 | -18.1 | 0 | 0 | 0 | 112 | T16 E17 | N14-T16 PolarHBondContact O-N 2.95Å; N14-E17 HydrophobicContact CB-CB 4.39Å; N14-E17 WeakPolarHBondContact CB-OE2 3.41Å; N14-E17 PolarHBondContact ND2-OE2 3.4Å |
| 15 | G | 92.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -125.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111 | F12 | F12-G15 WeakPolarHBondContact CB-O 3.3Š|
| 16 | T | 96.4 | Very high | 97.4 | Very high | 56 Ų | 56 | 61 Ų | 61 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 9.5 | -177 | 56.3 | 0 | 0 | 0 | 0 | 114 | F12 N14 V19 R75 Y78 | F12-T16 HydrophobicContact CD1-CG2 4.39Å; N14-T16 PolarHBondContact O-N 2.95Å; T16-V19 WeakPolarHBondContact O-CG2 3.32Å; T16-R75 HydrophobicContact CG2-CG 4.42Å; T16-R75 PolarHBondContact O-NE 3.46Å; T16-R75 VanDerWaalsContact O-NE 3.14Å; T16-Y78 HydrophobicContact CG2-CD1 3.35Å; T16-Y78 HydrophobicContact CG2-CD2 4.23Å; T16-Y78 HydrophobicContact CG2-CE1 3.72Å; T16-Y78 HydrophobicContact CG2-CG 3.64Å |
| 17 | E | 95 | Very high | 97.4 | Very high | 133 Ų | 133 | 62 Ų | 62 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -54.9 | 179.5 | -174.9 | -173.9 | -167.4 | 0 | 0 | 110.7 | N14 | N14-E17 HydrophobicContact CB-CB 4.39Å; N14-E17 WeakPolarHBondContact CB-OE2 3.41Å; N14-E17 PolarHBondContact ND2-OE2 3.4Å |
| 18 | R | 97.3 | Very high | 97.3 | Very high | 152 Ų | 152 | 61.8 Ų | 61.8 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125.6 | 172.5 | -55.1 | -176.5 | -53.8 | 162.4 | 9 | 109.3 | F13 | F13-R18 HydrophobicContact CB-CB 4.28Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 PolarHBondContact N-O 3.5Å; F13-R18 PolarHBondContact O-N 3.17Å |
| 19 | V | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 64.5 Ų | 64.5 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.5 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | H11 F12 T16 V70 C74 R75 | H11-V19 WeakPolarHBondContact O-CA 3.41Å; F12-V19 HydrophobicContact CD1-CG1 4.07Å; F12-V19 HydrophobicContact CD1-CG2 3.77Å; F12-V19 HydrophobicContact CE1-CG1 3.87Å; F12-V19 HydrophobicContact CE1-CG2 4.08Å; T16-V19 WeakPolarHBondContact O-CG2 3.32Å; V19-V70 HydrophobicContact CB-CG1 3.65Å; V19-V70 HydrophobicContact CG1-CG1 3.81Å; V19-V70 WeakPolarHBondContact O-CG1 3.21Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; V19-R75 HydrophobicContact CG2-CG 3.96Å |
| 20 | R | 98.4 | Very high | 97.1 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.7 | 174.1 | -179.4 | -176.5 | -179.6 | -171.3 | 2.7 | 109.5 | H11 D36 S37 D38 | H11-R20 HydrophobicContact CB-CB 4.31Å; H11-R20 PolarHBondContact N-O 3.31Å; H11-R20 PolarHBondContact O-N 3.49Å; R20-D36 IonicContact CZ-OD1 2.81Å; R20-D36 IonicContact CZ-OD2 3.56Å; R20-D36 IonicContact NE-OD1 2.64Å; R20-D36 PolarHBondContact NE-OD1 3.38Å; R20-D36 IonicContact NE-OD2 2.94Å; R20-D36 PolarHBondContact NE-OD2 2.96Å; R20-D36 IonicContact NH2-OD1 3.04Å; R20-D36 IonicContact NH2-OD2 2.79Å; R20-D36 PolarHBondContact NH2-OD2 3.18Å; R20-S37 WeakPolarHBondContact CA-OG 3.01Å; R20-D38 VanDerWaalsContact CD-OD2 3.31Å; R20-D38 WeakPolarHBondContact CD-OD2 3.02Å; R20-D38 IonicContact CZ-OD2 2.64Å; R20-D38 IonicContact NE-OD2 3.55Å; R20-D38 PolarHBondContact NE-OD2 3.05Å |
| 21 | F | 98.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.6 | 176.4 | 176.7 | -111.6 | 0 | 0 | 0 | 110.2 | H8 E9 D23 F35 S37 A69 V70 Y73 C74 | H8-F21 HydrophobicContact CB-CE2 4.09Å; H8-F21 HydrophobicContact CB-CZ 4.46Å; E9-F21 WeakPolarHBondContact O-CA 3.3Å; E9-F21 WeakPolarHBondContact O-CD2 3.33Å; F21-D23 HydrophobicContact CE1-CB 3.85Å; F21-D23 HydrophobicContact CZ-CB 3.97Å; F21-F35 HydrophobicContact CD1-CD1 4.06Å; F21-F35 HydrophobicContact CD1-CE1 4.06Å; F21-F35 HydrophobicContact CE1-CD1 4.32Å; F21-S37 PolarHBondContact N-OG 3.41Å; F21-S37 PolarHBondContact O-N 3.42Å; F21-S37 PolarHBondContact O-OG 3.18Å; F21-A69 HydrophobicContact CD1-CB 3.57Å; F21-A69 HydrophobicContact CD2-CB 4.39Å; F21-A69 HydrophobicContact CE1-CB 3.57Å; F21-A69 HydrophobicContact CE2-CB 4.38Å; F21-A69 HydrophobicContact CG-CB 3.99Å; F21-A69 HydrophobicContact CZ-CB 3.99Å; F21-V70 HydrophobicContact CB-CG2 3.98Å; F21-Y73 HydrophobicContact CE2-CD1 4.11Å; F21-Y73 HydrophobicContact CE2-CE1 4.43Å; F21-C74 VanDerWaalsContact CD2-SG 3.54Å |
| 22 | L | 98.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.5 | 171.7 | -59.6 | 175.2 | 0 | 0 | 0 | 109.7 | H8 E9 R24 F35 D36 | H8-L22 CarbonylContact C-O 3.54Å; H8-L22 WeakPolarHBondContact CA-O 3.42Å; E9-L22 HydrophobicContact CB-CB 4.21Å; E9-L22 PolarHBondContact N-O 3.44Å; E9-L22 PolarHBondContact O-N 3.24Å; L22-R24 HydrophobicContact CB-CG 4.01Å; L22-F35 WeakPolarHBondContact CA-O 3.47Å; L22-D36 HydrophobicContact CD2-CB 3.79Å; L22-D36 VanDerWaalsContact CD2-CG 3.45Å |
| 23 | D | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 106.8 | 171.7 | -178.5 | 24.9 | 0 | 0 | 0 | 108.3 | K7 H8 F21 Y25 R34 F35 Y42 R66 | K7-D23 WeakPolarHBondContact O-CA 3.37Å; H8-D23 IonicContact CE1-OD1 3.69Å; H8-D23 PolarHBondContact CE1-OD1 2.98Å; H8-D23 IonicContact ND1-OD1 3.49Å; H8-D23 PolarHBondContact ND1-OD1 3.09Å; F21-D23 HydrophobicContact CE1-CB 3.85Å; F21-D23 HydrophobicContact CZ-CB 3.97Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.32Å; D23-Y25 PolarHBondContact OD2-OH 2.89Å; D23-R34 CarbonylContact O-C 3.59Å; D23-R34 WeakPolarHBondContact O-CA 3.32Å; D23-F35 HydrophobicContact CB-CB 4.16Å; D23-F35 PolarHBondContact N-O 3.38Å; D23-F35 PolarHBondContact O-N 3.13Å; D23-Y42 PolarHBondContact OD2-OH 3.4Å; D23-R66 IonicContact OD2-CZ 2.85Å; D23-R66 IonicContact OD2-NE 3.47Å; D23-R66 PolarHBondContact OD2-NE 3.33Å; D23-R66 IonicContact OD2-NH2 3.99Å |
| 24 | R | 98.6 | Very high | 97.3 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.7 | -163.1 | -56.2 | 173.5 | 71.7 | -171.2 | 4.2 | 110.9 | V6 K7 E9 L22 F26 E31 R34 | V6-R24 CarbonylContact C-O 3.59Å; V6-R24 WeakPolarHBondContact CA-O 3.42Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 3.5Å; K7-R24 PolarHBondContact O-N 2.89Å; E9-R24 VanDerWaalsContact OE1-CD 3.3Å; E9-R24 WeakPolarHBondContact OE1-CD 3.49Å; E9-R24 IonicContact OE1-CZ 3.26Å; E9-R24 IonicContact OE1-NE 3.77Å; E9-R24 IonicContact OE1-NH1 2.72Å; E9-R24 PolarHBondContact OE1-NH1 2.96Å; E9-R24 IonicContact OE2-NH1 3.74Å; L22-R24 HydrophobicContact CB-CG 4.01Å; R24-F26 HydrophobicContact CB-CE2 3.56Å; R24-F26 HydrophobicContact CB-CZ 3.97Å; R24-E31 WeakPolarHBondContact CG-OE1 3.29Å; R24-E31 IonicContact CZ-OE1 3.67Å; R24-E31 IonicContact CZ-OE2 3.47Å; R24-E31 VanDerWaalsContact NE-CD 3.35Å; R24-E31 IonicContact NE-OE1 2.94Å; R24-E31 PolarHBondContact NE-OE1 3.41Å; R24-E31 IonicContact NE-OE2 3.72Å; R24-E31 PolarHBondContact NE-OE2 2.94Å; R24-E31 IonicContact NH2-OE1 3.61Å; R24-E31 IonicContact NH2-OE2 2.73Å; R24-E31 PolarHBondContact NH2-OE2 3.45Å; R24-R34 HydrophobicContact CG-CB 4.07Å |
| 25 | Y | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134.4 | -176.4 | -63.9 | -103.7 | 0 | 0 | 0 | 110.7 | V6 D23 E31 Y32 V33 Y42 W56 | V6-Y25 HydrophobicContact CB-CE1 4.5Å; V6-Y25 HydrophobicContact CG1-CD1 4.22Å; V6-Y25 HydrophobicContact CG1-CE1 3.92Å; V6-Y25 HydrophobicContact CG2-CD1 3.64Å; V6-Y25 HydrophobicContact CG2-CE1 3.74Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.32Å; D23-Y25 PolarHBondContact OD2-OH 2.89Å; Y25-E31 WeakPolarHBondContact O-CA 3.5Å; Y25-Y32 VanDerWaalsContact CB-CE1 3.48Å; Y25-Y32 VanDerWaalsContact O-CD1 3.29Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.33Å; Y25-Y32 PolarHBondContact O-N 3.08Å; Y25-V33 HydrophobicContact CD2-CG1 3.97Å; Y25-V33 HydrophobicContact CG-CG1 4.01Å; Y25-V33 PolarHBondContact N-O 3.4Å; Y25-Y42 HydrophobicContact CE2-CE1 4.05Å; Y25-W56 AromaticContact CD1-CH2 3.79Å; Y25-W56 HydrophobicContact CD1-CH2 3.79Å; Y25-W56 HydrophobicContact CD1-CZ3 4.46Å; Y25-W56 AromaticContact CD2-CH2 3.9Å; Y25-W56 HydrophobicContact CD2-CH2 3.9Å; Y25-W56 AromaticContact CD2-CZ3 3.73Å; Y25-W56 HydrophobicContact CD2-CZ3 3.73Å; Y25-W56 AromaticContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CZ2 4.37Å; Y25-W56 HydrophobicContact CE1-CZ3 4.31Å; Y25-W56 AromaticContact CE2-CH2 3.72Å; Y25-W56 HydrophobicContact CE2-CH2 3.72Å; Y25-W56 AromaticContact CE2-CZ3 3.55Å; Y25-W56 HydrophobicContact CE2-CZ3 3.55Å; Y25-W56 AromaticContact CG-CH2 3.95Å; Y25-W56 HydrophobicContact CG-CH2 3.95Å; Y25-W56 HydrophobicContact CG-CZ3 4.2Å; Y25-W56 AromaticContact CZ-CH2 3.56Å; Y25-W56 AromaticContact CZ-CZ3 3.86Å |
| 26 | F | 98.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135 | -173 | -55.4 | -104.1 | 0 | 0 | 0 | 111.3 | E4 Q5 K7 R24 E30 E31 | E4-F26 WeakPolarHBondContact CA-O 3.39Å; Q5-F26 HydrophobicContact CB-CB 4.2Å; Q5-F26 HydrophobicContact CB-CD2 4.48Å; Q5-F26 PolarHBondContact N-O 3.46Å; Q5-F26 PolarHBondContact O-N 2.88Å; K7-F26 HydrophobicContact CB-CE2 4.18Å; K7-F26 HydrophobicContact CD-CE2 3.84Å; K7-F26 HydrophobicContact CD-CZ 4.15Å; K7-F26 HydrophobicContact CG-CD2 4.5Å; K7-F26 HydrophobicContact CG-CE2 3.87Å; R24-F26 HydrophobicContact CB-CE2 3.56Å; R24-F26 HydrophobicContact CB-CZ 3.97Å; F26-E30 CarbonylContact C-O 3.53Å; F26-E30 VanDerWaalsContact CA-O 3.25Å; F26-E30 WeakPolarHBondContact CA-O 3.19Å; F26-E31 HydrophobicContact CD1-CB 3.64Å; F26-E31 HydrophobicContact CD1-CG 4.26Å; F26-E31 HydrophobicContact CE1-CB 3.52Å; F26-E31 HydrophobicContact CE1-CG 3.95Å; F26-E31 HydrophobicContact CG-CB 4.45Å; F26-E31 HydrophobicContact CZ-CB 4.23Å; F26-E31 HydrophobicContact CZ-CG 4.15Å |
| 27 | Y | 97.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 52.4 Ų | 52.4 | 35% | 0.349 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.3 | 169.4 | -172.4 | -107.8 | 0 | 0 | 0 | 108.3 | F2 E4 Q29 E30 L48 | F2-Y27 HydrophobicContact CB-CE2 4.15Å; E4-Y27 WeakPolarHBondContact OE2-CD2 3.38Å; Y27-Q29 PolarHBondContact O-N 2.97Å; Y27-E30 PolarHBondContact N-O 2.9Å; Y27-E30 WeakPolarHBondContact O-CB 3.47Å; Y27-E30 PolarHBondContact O-N 3.33Å; Y27-L48 HydrophobicContact CD1-CD2 4.23Å; Y27-L48 HydrophobicContact CG-CD2 4.36Å |
| 28 | H | 95.1 | Very high | 98 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.7 | -176.3 | -77.2 | -70.1 | 0 | 0 | 0 | 114.8 | R1 F2 L3 E30 | R1-H28 PolarHBondContact O-CE1 3.47Å; R1-H28 VanDerWaalsContact O-CE1 3.22Å; F2-H28 WeakPolarHBondContact CA-NE2 3.31Å; L3-H28 PolarHBondContact O-N 2.95Å; H28-E30 PolarHBondContact O-N 3.34Å |
| 29 | Q | 94.9 | Very high | 98.1 | Very high | 151 Ų | 151 | 48 Ų | 48 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | -1.2 | -177.4 | -48.8 | 173.8 | -8.6 | 0 | 0 | 115 | Y27 | Y27-Q29 PolarHBondContact O-N 2.97Š|
| 30 | E | 97.6 | Very high | 98 | Very high | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.5 | 170.3 | -172.1 | 174.6 | -166.2 | 0 | 0 | 109.4 | F26 Y27 H28 Y32 T46 | F26-E30 CarbonylContact C-O 3.53Å; F26-E30 VanDerWaalsContact CA-O 3.25Å; F26-E30 WeakPolarHBondContact CA-O 3.19Å; Y27-E30 PolarHBondContact N-O 2.9Å; Y27-E30 WeakPolarHBondContact O-CB 3.47Å; Y27-E30 PolarHBondContact O-N 3.33Å; H28-E30 PolarHBondContact O-N 3.34Å; E30-Y32 PolarHBondContact O-N 3.02Å; E30-T46 HydrophobicContact CG-CG2 4.04Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.35Å |
| 31 | E | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 9% | 0.093 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 121.7 | 174.7 | -170.9 | -179.3 | -173 | 0 | 0 | 109.3 | R24 Y25 F26 R34 V45 T46 | R24-E31 WeakPolarHBondContact CG-OE1 3.29Å; R24-E31 IonicContact CZ-OE1 3.67Å; R24-E31 IonicContact CZ-OE2 3.47Å; R24-E31 VanDerWaalsContact NE-CD 3.35Å; R24-E31 IonicContact NE-OE1 2.94Å; R24-E31 PolarHBondContact NE-OE1 3.41Å; R24-E31 IonicContact NE-OE2 3.72Å; R24-E31 PolarHBondContact NE-OE2 2.94Å; R24-E31 IonicContact NH2-OE1 3.61Å; R24-E31 IonicContact NH2-OE2 2.73Å; R24-E31 PolarHBondContact NH2-OE2 3.45Å; Y25-E31 WeakPolarHBondContact O-CA 3.5Å; F26-E31 HydrophobicContact CD1-CB 3.64Å; F26-E31 HydrophobicContact CD1-CG 4.26Å; F26-E31 HydrophobicContact CE1-CB 3.52Å; F26-E31 HydrophobicContact CE1-CG 3.95Å; F26-E31 HydrophobicContact CG-CB 4.45Å; F26-E31 HydrophobicContact CZ-CB 4.23Å; F26-E31 HydrophobicContact CZ-CG 4.15Å; E31-R34 VanDerWaalsContact CD-NH2 3.3Å; E31-R34 WeakPolarHBondContact OE1-CB 3.31Å; E31-R34 IonicContact OE1-CZ 2.94Å; E31-R34 IonicContact OE1-NE 3.36Å; E31-R34 PolarHBondContact OE1-NE 3.25Å; E31-R34 IonicContact OE1-NH2 3.07Å; E31-R34 PolarHBondContact OE1-NH2 3.14Å; E31-R34 IonicContact OE2-CZ 2.89Å; E31-R34 IonicContact OE2-NE 3.61Å; E31-R34 IonicContact OE2-NH2 2.73Å; E31-R34 PolarHBondContact OE2-NH2 3.16Å; E31-V45 HydrophobicContact CB-CG1 4.37Å; E31-V45 HydrophobicContact CG-CB 4.39Å; E31-V45 HydrophobicContact CG-CG1 4.47Å; E31-V45 HydrophobicContact CG-CG2 4.04Å; E31-V45 WeakPolarHBondContact O-CB 3.44Å; E31-V45 WeakPolarHBondContact O-CG1 3.25Å; E31-T46 WeakPolarHBondContact O-CG2 3.37Å |
| 32 | Y | 98.4 | Very high | 98 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -28.7 | -175.6 | 70.9 | -87.4 | 0 | 0 | 0 | 113 | E4 Y25 E30 V45 T46 L48 G49 | E4-Y32 WeakPolarHBondContact OE1-CE1 3.14Å; E4-Y32 PolarHBondContact OE1-OH 3.02Å; Y25-Y32 VanDerWaalsContact CB-CE1 3.48Å; Y25-Y32 VanDerWaalsContact O-CD1 3.29Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.33Å; Y25-Y32 PolarHBondContact O-N 3.08Å; E30-Y32 PolarHBondContact O-N 3.02Å; Y32-V45 PolarHBondContact O-N 3.08Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.16Å; Y32-T46 WeakPolarHBondContact CB-OG1 2.93Å; Y32-T46 PolarHBondContact O-N 3.03Å; Y32-L48 HydrophobicContact CD2-CG 4.38Å; Y32-L48 HydrophobicContact CG-CD2 4.27Å; Y32-L48 HydrophobicContact CG-CG 4.47Å; Y32-G49 WeakPolarHBondContact O-CA 3.17Å |
| 33 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 146.4 | 175.8 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | Y25 Y42 R43 A53 W56 | Y25-V33 HydrophobicContact CD2-CG1 3.97Å; Y25-V33 HydrophobicContact CG-CG1 4.01Å; Y25-V33 PolarHBondContact N-O 3.4Å; V33-Y42 HydrophobicContact CG2-CD1 4.17Å; V33-R43 WeakPolarHBondContact CA-O 3.48Å; V33-A53 HydrophobicContact CG2-CB 3.99Å; V33-W56 HydrophobicContact CG1-CE3 4.46Å; V33-W56 HydrophobicContact CG1-CH2 4.05Å; V33-W56 HydrophobicContact CG1-CZ3 3.57Å; V33-W56 HydrophobicContact CG2-CE3 4.4Å; V33-W56 HydrophobicContact CG2-CZ3 4.22Å |
| 34 | R | 98.7 | Very high | 98 | Very high | 71 Ų | 71 | 55 Ų | 55 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.4 | 171.4 | 77.4 | 174 | 67.1 | 152.2 | 7 | 112.9 | D23 R24 E31 Y42 R43 V45 | D23-R34 CarbonylContact O-C 3.59Å; D23-R34 WeakPolarHBondContact O-CA 3.32Å; R24-R34 HydrophobicContact CG-CB 4.07Å; E31-R34 VanDerWaalsContact CD-NH2 3.3Å; E31-R34 WeakPolarHBondContact OE1-CB 3.31Å; E31-R34 IonicContact OE1-CZ 2.94Å; E31-R34 IonicContact OE1-NE 3.36Å; E31-R34 PolarHBondContact OE1-NE 3.25Å; E31-R34 IonicContact OE1-NH2 3.07Å; E31-R34 PolarHBondContact OE1-NH2 3.14Å; E31-R34 IonicContact OE2-CZ 2.89Å; E31-R34 IonicContact OE2-NE 3.61Å; E31-R34 IonicContact OE2-NH2 2.73Å; E31-R34 PolarHBondContact OE2-NH2 3.16Å; R34-Y42 CarbonylContact O-C 3.47Å; R34-Y42 VanDerWaalsContact O-CA 3.24Å; R34-Y42 WeakPolarHBondContact O-CA 3.32Å; R34-R43 PolarHBondContact N-O 3.07Å; R34-R43 PolarHBondContact O-N 3.31Å; R34-V45 HydrophobicContact CB-CG2 4.49Å; R34-V45 HydrophobicContact CG-CG2 4.22Å |
| 35 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 142 | 155 | 172.6 | -83.2 | 0 | 0 | 0 | 109.3 | F21 L22 D23 G40 Y42 L63 R66 R67 | F21-F35 HydrophobicContact CD1-CD1 4.06Å; F21-F35 HydrophobicContact CD1-CE1 4.06Å; F21-F35 HydrophobicContact CE1-CD1 4.32Å; L22-F35 WeakPolarHBondContact CA-O 3.47Å; D23-F35 HydrophobicContact CB-CB 4.16Å; D23-F35 PolarHBondContact N-O 3.38Å; D23-F35 PolarHBondContact O-N 3.13Å; F35-G40 VanDerWaalsContact CE2-C 3.42Å; F35-Y42 HydrophobicContact CB-CD1 3.55Å; F35-Y42 HydrophobicContact CB-CD2 4.19Å; F35-Y42 HydrophobicContact CB-CE1 3.44Å; F35-Y42 VanDerWaalsContact CB-CE1 3.44Å; F35-Y42 HydrophobicContact CB-CE2 4.09Å; F35-Y42 HydrophobicContact CB-CG 3.95Å; F35-Y42 HydrophobicContact CD2-CD2 4.14Å; F35-Y42 HydrophobicContact CD2-CE2 4.15Å; F35-Y42 HydrophobicContact CG-CE2 4.49Å; F35-L63 HydrophobicContact CD2-CD1 4.32Å; F35-L63 HydrophobicContact CE2-CD1 4.05Å; F35-R66 HydrophobicContact CD1-CB 4.01Å; F35-R66 HydrophobicContact CD2-CB 3.83Å; F35-R66 HydrophobicContact CE1-CB 3.83Å; F35-R66 WeakPolarHBondContact CE1-O 3.33Å; F35-R66 HydrophobicContact CE2-CB 3.63Å; F35-R66 HydrophobicContact CG-CB 4.03Å; F35-R66 VanDerWaalsContact CZ-C 3.47Å; F35-R66 HydrophobicContact CZ-CB 3.65Å; F35-R67 HydrophobicContact CE2-CG 4.29Å; F35-R67 HydrophobicContact CZ-CG 3.98Å |
| 36 | D | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.4 | 176.9 | -172.8 | -16.2 | 0 | 0 | 0 | 109.1 | R20 L22 D38 V39 G40 | R20-D36 IonicContact CZ-OD1 2.81Å; R20-D36 IonicContact CZ-OD2 3.56Å; R20-D36 IonicContact NE-OD1 2.64Å; R20-D36 PolarHBondContact NE-OD1 3.38Å; R20-D36 IonicContact NE-OD2 2.94Å; R20-D36 PolarHBondContact NE-OD2 2.96Å; R20-D36 IonicContact NH2-OD1 3.04Å; R20-D36 IonicContact NH2-OD2 2.79Å; R20-D36 PolarHBondContact NH2-OD2 3.18Å; L22-D36 HydrophobicContact CD2-CB 3.79Å; L22-D36 VanDerWaalsContact CD2-CG 3.45Å; D36-D38 PolarHBondContact O-N 3.06Å; D36-D38 PolarHBondContact OD1-N 2.9Å; D36-D38 VanDerWaalsContact OD1-N 3.12Å; D36-V39 HydrophobicContact CB-CB 4.22Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.58Å; D36-V39 PolarHBondContact O-N 3.09Å; D36-G40 PolarHBondContact O-N 3.46Å |
| 37 | S | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.3 | -178.1 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | R20 F21 V39 V70 | R20-S37 WeakPolarHBondContact CA-OG 3.01Å; F21-S37 PolarHBondContact N-OG 3.41Å; F21-S37 PolarHBondContact O-N 3.42Å; F21-S37 PolarHBondContact O-OG 3.18Å; S37-V39 PolarHBondContact O-N 3.3Å; S37-V70 VanDerWaalsContact CB-CG2 3.49Å |
| 38 | D | 98 | Very high | 97.9 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -22.7 | 178.2 | -67.7 | -4.9 | 0 | 0 | 0 | 111.7 | R20 D36 | R20-D38 VanDerWaalsContact CD-OD2 3.31Å; R20-D38 WeakPolarHBondContact CD-OD2 3.02Å; R20-D38 IonicContact CZ-OD2 2.64Å; R20-D38 IonicContact NE-OD2 3.55Å; R20-D38 PolarHBondContact NE-OD2 3.05Å; D36-D38 PolarHBondContact O-N 3.06Å; D36-D38 PolarHBondContact OD1-N 2.9Å; D36-D38 VanDerWaalsContact OD1-N 3.12Å |
| 39 | V | 98.2 | Very high | 98 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -35 | 176.1 | -174.6 | 0 | 0 | 0 | 0 | 111 | D36 S37 E41 R43 | D36-V39 HydrophobicContact CB-CB 4.22Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.58Å; D36-V39 PolarHBondContact O-N 3.09Å; S37-V39 PolarHBondContact O-N 3.3Å; V39-E41 HydrophobicContact CG1-CG 4.01Å; V39-R43 HydrophobicContact CG1-CG 4.46Å |
| 40 | G | 97.9 | Very high | 98.2 | Very high | 11 Ų | 11 | 56 Ų | 56 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 13.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F35 D36 R67 | F35-G40 VanDerWaalsContact CE2-C 3.42Å; D36-G40 PolarHBondContact O-N 3.46Å; G40-R67 PolarHBondContact O-NE 3.09Å; G40-R67 PolarHBondContact O-NH2 3.02Å |
| 41 | E | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 54.2 Ų | 54.2 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 168.3 | 177.8 | 62.6 | 178.9 | -163.8 | 0 | 0 | 114 | V39 R43 L63 | V39-E41 HydrophobicContact CG1-CG 4.01Å; E41-R43 IonicContact OE1-CZ 3.52Å; E41-R43 IonicContact OE1-NE 3.67Å; E41-R43 PolarHBondContact OE1-NE 2.98Å; E41-R43 IonicContact OE1-NH2 3.46Å; E41-R43 PolarHBondContact OE1-NH2 3.47Å; E41-L63 HydrophobicContact CB-CD1 3.98Å |
| 42 | Y | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134 | 174.6 | -72.1 | -87.4 | 0 | 0 | 0 | 111.2 | D23 Y25 V33 R34 F35 W56 N57 L62 R66 | D23-Y42 PolarHBondContact OD2-OH 3.4Å; Y25-Y42 HydrophobicContact CE2-CE1 4.05Å; V33-Y42 HydrophobicContact CG2-CD1 4.17Å; R34-Y42 CarbonylContact O-C 3.47Å; R34-Y42 VanDerWaalsContact O-CA 3.24Å; R34-Y42 WeakPolarHBondContact O-CA 3.32Å; F35-Y42 HydrophobicContact CB-CD1 3.55Å; F35-Y42 HydrophobicContact CB-CD2 4.19Å; F35-Y42 HydrophobicContact CB-CE1 3.44Å; F35-Y42 VanDerWaalsContact CB-CE1 3.44Å; F35-Y42 HydrophobicContact CB-CE2 4.09Å; F35-Y42 HydrophobicContact CB-CG 3.95Å; F35-Y42 HydrophobicContact CD2-CD2 4.14Å; F35-Y42 HydrophobicContact CD2-CE2 4.15Å; F35-Y42 HydrophobicContact CG-CE2 4.49Å; Y42-W56 AromaticContact CD1-CE3 3.41Å; Y42-W56 HydrophobicContact CD1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.41Å; Y42-W56 AromaticContact CD1-CZ3 3.86Å; Y42-W56 HydrophobicContact CD1-CZ3 3.86Å; Y42-W56 HydrophobicContact CD2-CB 3.7Å; Y42-W56 HydrophobicContact CD2-CE3 4.26Å; Y42-W56 HydrophobicContact CE1-CD2 4.43Å; Y42-W56 AromaticContact CE1-CE3 3.41Å; Y42-W56 HydrophobicContact CE1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.41Å; Y42-W56 AromaticContact CE1-CZ3 3.68Å; Y42-W56 HydrophobicContact CE1-CZ3 3.68Å; Y42-W56 HydrophobicContact CE2-CB 3.95Å; Y42-W56 HydrophobicContact CE2-CE3 4.27Å; Y42-W56 HydrophobicContact CG-CB 4.16Å; Y42-W56 AromaticContact CG-CE3 3.85Å; Y42-W56 HydrophobicContact CG-CE3 3.85Å; Y42-W56 AromaticContact CZ-CE3 3.86Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.41Å; Y42-N57 PolarHBondContact N-OD1 3.37Å; Y42-N57 PolarHBondContact O-ND2 2.89Å; Y42-L62 HydrophobicContact CE2-CD2 4.43Å; Y42-R66 HydrophobicContact CE2-CG 4.1Å; Y42-R66 WeakPolarHBondContact OH-CD 3.39Å; Y42-R66 WeakPolarHBondContact OH-CG 3.41Å; Y42-R66 PolarHBondContact OH-NE 3.48Å |
| 43 | R | 98.6 | Very high | 98.2 | Very high | 143 Ų | 143 | 53.9 Ų | 53.9 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.1 | 174.2 | -69.3 | -67 | -178.2 | 151.1 | -2.5 | 109.6 | V33 R34 V39 E41 V45 | V33-R43 WeakPolarHBondContact CA-O 3.48Å; R34-R43 PolarHBondContact N-O 3.07Å; R34-R43 PolarHBondContact O-N 3.31Å; V39-R43 HydrophobicContact CG1-CG 4.46Å; E41-R43 IonicContact OE1-CZ 3.52Å; E41-R43 IonicContact OE1-NE 3.67Å; E41-R43 PolarHBondContact OE1-NE 2.98Å; E41-R43 IonicContact OE1-NH2 3.46Å; E41-R43 PolarHBondContact OE1-NH2 3.47Å; R43-V45 PolarHBondContact O-N 3.3Å |
| 44 | A | 98.3 | Very high | 98.2 | Very high | 44 Ų | 44 | 60 Ų | 60 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | R50 A53 | A44-R50 HydrophobicContact CB-CB 4.37Å; A44-A53 HydrophobicContact CB-CB 4.26Å |
| 45 | V | 98.3 | Very high | 98.2 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -89.5 | -31.5 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | E31 Y32 R34 R43 | E31-V45 HydrophobicContact CB-CG1 4.37Å; E31-V45 HydrophobicContact CG-CB 4.39Å; E31-V45 HydrophobicContact CG-CG1 4.47Å; E31-V45 HydrophobicContact CG-CG2 4.04Å; E31-V45 WeakPolarHBondContact O-CB 3.44Å; E31-V45 WeakPolarHBondContact O-CG1 3.25Å; Y32-V45 PolarHBondContact O-N 3.08Å; R34-V45 HydrophobicContact CB-CG2 4.49Å; R34-V45 HydrophobicContact CG-CG2 4.22Å; R43-V45 PolarHBondContact O-N 3.3Å |
| 46 | T | 98 | Very high | 98.2 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -131.6 | 169 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 110.3 | E30 E31 Y32 L48 G49 | E30-T46 HydrophobicContact CG-CG2 4.04Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.35Å; E31-T46 WeakPolarHBondContact O-CG2 3.37Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.16Å; Y32-T46 WeakPolarHBondContact CB-OG1 2.93Å; Y32-T46 PolarHBondContact O-N 3.03Å; T46-L48 PolarHBondContact O-N 3.35Å; T46-G49 PolarHBondContact O-N 3.1Å |
| 47 | E | 97 | Very high | 98.2 | Very high | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -57.5 | -32.3 | 178.5 | -70.7 | -60.1 | 157 | 0 | 0 | 113.1 | G49 R50 | E47-G49 PolarHBondContact O-N 3.36Å; E47-R50 WeakPolarHBondContact O-CB 3.34Å; E47-R50 PolarHBondContact O-N 2.83Å; E47-R50 IonicContact OE1-NH2 3.62Å; E47-R50 PolarHBondContact OE1-NH2 3.13Å; E47-R50 IonicContact OE2-CZ 2.76Å; E47-R50 IonicContact OE2-NE 2.64Å; E47-R50 PolarHBondContact OE2-NE 3.01Å; E47-R50 VanDerWaalsContact OE2-NE 3.07Å; E47-R50 IonicContact OE2-NH2 3.82Å; E47-R50 PolarHBondContact OE2-NH2 2.67Å |
| 48 | L | 96.5 | Very high | 98.2 | Very high | 99 Ų | 99 | 69 Ų | 69 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -59 | -32.8 | 177 | -178.6 | 64.8 | 0 | 0 | 0 | 112.4 | Y27 Y32 T46 P51 | Y27-L48 HydrophobicContact CD1-CD2 4.23Å; Y27-L48 HydrophobicContact CG-CD2 4.36Å; Y32-L48 HydrophobicContact CD2-CG 4.38Å; Y32-L48 HydrophobicContact CG-CD2 4.27Å; Y32-L48 HydrophobicContact CG-CG 4.47Å; T46-L48 PolarHBondContact O-N 3.35Å; L48-P51 WeakPolarHBondContact O-CD 3.43Å |
| 49 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -88 | -6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y32 T46 E47 S52 A53 | Y32-G49 WeakPolarHBondContact O-CA 3.17Å; T46-G49 PolarHBondContact O-N 3.1Å; E47-G49 PolarHBondContact O-N 3.36Å; G49-S52 PolarHBondContact O-N 2.96Å; G49-A53 WeakPolarHBondContact O-CB 3.36Å; G49-A53 PolarHBondContact O-N 3.47Å |
| 50 | R | 98.4 | Very high | 98.1 | Very high | 127 Ų | 127 | 69.8 Ų | 69.8 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.8 | -52.9 | 176.3 | -167.2 | -172.9 | -63.8 | -154.7 | -3 | 112.9 | A44 E47 S52 A53 E54 | A44-R50 HydrophobicContact CB-CB 4.37Å; E47-R50 WeakPolarHBondContact O-CB 3.34Å; E47-R50 PolarHBondContact O-N 2.83Å; E47-R50 IonicContact OE1-NH2 3.62Å; E47-R50 PolarHBondContact OE1-NH2 3.13Å; E47-R50 IonicContact OE2-CZ 2.76Å; E47-R50 IonicContact OE2-NE 2.64Å; E47-R50 PolarHBondContact OE2-NE 3.01Å; E47-R50 VanDerWaalsContact OE2-NE 3.07Å; E47-R50 IonicContact OE2-NH2 3.82Å; E47-R50 PolarHBondContact OE2-NH2 2.67Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 3.43Å; R50-A53 PolarHBondContact O-N 3Å; R50-E54 WeakPolarHBondContact CG-OE1 3.37Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 3.39Å |
| 51 | P | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 76.2 Ų | 76.2 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 179.4 | 24.3 | -35.2 | 0 | 0 | 0 | 112.7 | L48 Y55 | L48-P51 WeakPolarHBondContact O-CD 3.43Å; P51-Y55 VanDerWaalsContact O-CB 3.27Å; P51-Y55 WeakPolarHBondContact O-CB 3.37Å; P51-Y55 PolarHBondContact O-N 3.14Å |
| 52 | S | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 75 Ų | 75 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.9 | -45 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 112 | G49 R50 Y55 W56 | G49-S52 PolarHBondContact O-N 2.96Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 3.43Å; S52-Y55 PolarHBondContact O-N 3.13Å; S52-W56 WeakPolarHBondContact O-CB 3.35Å; S52-W56 VanDerWaalsContact O-CG 3.25Å; S52-W56 PolarHBondContact O-N 2.64Å |
| 53 | A | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 75.2 Ų | 75.2 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V33 A44 G49 R50 N57 | V33-A53 HydrophobicContact CG2-CB 3.99Å; A44-A53 HydrophobicContact CB-CB 4.26Å; G49-A53 WeakPolarHBondContact O-CB 3.36Å; G49-A53 PolarHBondContact O-N 3.47Å; R50-A53 PolarHBondContact O-N 3Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.38Å; A53-N57 PolarHBondContact O-N 3.03Å; A53-N57 PolarHBondContact O-ND2 2.76Å; A53-N57 VanDerWaalsContact O-ND2 3.15Å |
| 54 | E | 98.2 | Very high | 98 | Very high | 129 Ų | 129 | 73.2 Ų | 73.2 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.4 | -49 | 176.5 | -72.7 | 173.7 | -171.9 | 0 | 0 | 111.5 | R50 S58 | R50-E54 WeakPolarHBondContact CG-OE1 3.37Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 3.39Å; E54-S58 PolarHBondContact O-N 2.86Å; E54-S58 VanDerWaalsContact O-N 3.12Å |
| 55 | Y | 98.3 | Very high | 97.9 | Very high | 143 Ų | 143 | 77 Ų | 77 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | -179.9 | 179.4 | -116 | 0 | 0 | 0 | 112.3 | P51 S52 S58 Q59 | P51-Y55 VanDerWaalsContact O-CB 3.27Å; P51-Y55 WeakPolarHBondContact O-CB 3.37Å; P51-Y55 PolarHBondContact O-N 3.14Å; S52-Y55 PolarHBondContact O-N 3.13Å; Y55-S58 WeakPolarHBondContact O-CB 3.48Å; Y55-S58 PolarHBondContact O-N 3.02Å; Y55-S58 PolarHBondContact O-OG 3.32Å; Y55-Q59 PolarHBondContact OH-NE2 2.88Å |
| 56 | W | 98.4 | Very high | 97.9 | Very high | 43 Ų | 43 | 76 Ų | 76 | 16% | 0.163 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70 | -35.1 | -178.5 | -64.7 | -20.4 | 0 | 0 | 0 | 112.9 | Y25 V33 Y42 S52 S58 Q59 L62 | Y25-W56 AromaticContact CD1-CH2 3.79Å; Y25-W56 HydrophobicContact CD1-CH2 3.79Å; Y25-W56 HydrophobicContact CD1-CZ3 4.46Å; Y25-W56 AromaticContact CD2-CH2 3.9Å; Y25-W56 HydrophobicContact CD2-CH2 3.9Å; Y25-W56 AromaticContact CD2-CZ3 3.73Å; Y25-W56 HydrophobicContact CD2-CZ3 3.73Å; Y25-W56 AromaticContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CZ2 4.37Å; Y25-W56 HydrophobicContact CE1-CZ3 4.31Å; Y25-W56 AromaticContact CE2-CH2 3.72Å; Y25-W56 HydrophobicContact CE2-CH2 3.72Å; Y25-W56 AromaticContact CE2-CZ3 3.55Å; Y25-W56 HydrophobicContact CE2-CZ3 3.55Å; Y25-W56 AromaticContact CG-CH2 3.95Å; Y25-W56 HydrophobicContact CG-CH2 3.95Å; Y25-W56 HydrophobicContact CG-CZ3 4.2Å; Y25-W56 AromaticContact CZ-CH2 3.56Å; Y25-W56 AromaticContact CZ-CZ3 3.86Å; V33-W56 HydrophobicContact CG1-CE3 4.46Å; V33-W56 HydrophobicContact CG1-CH2 4.05Å; V33-W56 HydrophobicContact CG1-CZ3 3.57Å; V33-W56 HydrophobicContact CG2-CE3 4.4Å; V33-W56 HydrophobicContact CG2-CZ3 4.22Å; Y42-W56 AromaticContact CD1-CE3 3.41Å; Y42-W56 HydrophobicContact CD1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.41Å; Y42-W56 AromaticContact CD1-CZ3 3.86Å; Y42-W56 HydrophobicContact CD1-CZ3 3.86Å; Y42-W56 HydrophobicContact CD2-CB 3.7Å; Y42-W56 HydrophobicContact CD2-CE3 4.26Å; Y42-W56 HydrophobicContact CE1-CD2 4.43Å; Y42-W56 AromaticContact CE1-CE3 3.41Å; Y42-W56 HydrophobicContact CE1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.41Å; Y42-W56 AromaticContact CE1-CZ3 3.68Å; Y42-W56 HydrophobicContact CE1-CZ3 3.68Å; Y42-W56 HydrophobicContact CE2-CB 3.95Å; Y42-W56 HydrophobicContact CE2-CE3 4.27Å; Y42-W56 HydrophobicContact CG-CB 4.16Å; Y42-W56 AromaticContact CG-CE3 3.85Å; Y42-W56 HydrophobicContact CG-CE3 3.85Å; Y42-W56 AromaticContact CZ-CE3 3.86Å; S52-W56 WeakPolarHBondContact O-CB 3.35Å; S52-W56 VanDerWaalsContact O-CG 3.25Å; S52-W56 PolarHBondContact O-N 2.64Å; W56-S58 PolarHBondContact O-N 3.06Å; W56-Q59 PolarHBondContact O-N 3.28Å; W56-L62 HydrophobicContact CB-CD2 3.86Å; W56-L62 HydrophobicContact CG-CD2 3.95Å |
| 57 | N | 98.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 79.2 Ų | 79.2 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.7 | -22.8 | 174.5 | -70.7 | -22.6 | 0 | 0 | 0 | 113.2 | Y42 A53 Q59 | Y42-N57 WeakPolarHBondContact CB-OD1 3.41Å; Y42-N57 PolarHBondContact N-OD1 3.37Å; Y42-N57 PolarHBondContact O-ND2 2.89Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.38Å; A53-N57 PolarHBondContact O-N 3.03Å; A53-N57 PolarHBondContact O-ND2 2.76Å; A53-N57 VanDerWaalsContact O-ND2 3.15Å; N57-Q59 VanDerWaalsContact C-N 3.28Å |
| 58 | S | 98.2 | Very high | 98 | Very high | 80 Ų | 80 | 75 Ų | 75 | 56% | 0.559 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -72.3 | -22 | 173.3 | 80.3 | 0 | 0 | 0 | 0 | 113 | E54 Y55 W56 K60 | E54-S58 PolarHBondContact O-N 2.86Å; E54-S58 VanDerWaalsContact O-N 3.12Å; Y55-S58 WeakPolarHBondContact O-CB 3.48Å; Y55-S58 PolarHBondContact O-N 3.02Å; Y55-S58 PolarHBondContact O-OG 3.32Å; W56-S58 PolarHBondContact O-N 3.06Å; S58-K60 PolarHBondContact O-N 3.31Å |
| 59 | Q | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 70.7 Ų | 70.7 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | trans | -88.5 | 100.1 | 179.1 | -64 | -175.2 | 37.7 | 0 | 0 | 111.2 | Y55 W56 N57 D61 L62 L63 | Y55-Q59 PolarHBondContact OH-NE2 2.88Å; W56-Q59 PolarHBondContact O-N 3.28Å; N57-Q59 VanDerWaalsContact C-N 3.28Å; Q59-D61 PolarHBondContact O-N 3.19Å; Q59-L62 HydrophobicContact CB-CB 3.9Å; Q59-L62 HydrophobicContact CB-CD2 4.49Å; Q59-L62 PolarHBondContact O-N 3.49Å; Q59-L63 PolarHBondContact O-N 2.77Å; Q59-L63 VanDerWaalsContact O-N 3.1Å | ||
| 60 | K | 96.8 | Very high | 98.1 | Very high | 141 Ų | 141 | 71.4 Ų | 71.4 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | -175.8 | -63.2 | -56.4 | -176.7 | -170.1 | 0 | 113.4 | S58 L62 L63 E64 | S58-K60 PolarHBondContact O-N 3.31Å; K60-L62 VanDerWaalsContact C-N 3.33Å; K60-L62 PolarHBondContact O-N 2.83Å; K60-L63 PolarHBondContact O-N 2.86Å; K60-E64 WeakPolarHBondContact O-CG 3.27Å; K60-E64 PolarHBondContact O-N 2.85Å |
| 61 | D | 97.8 | Very high | 98.1 | Very high | 146 Ų | 146 | 69.7 Ų | 69.7 | 78% | 0.781 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | -178.5 | -58.2 | -26.6 | 0 | 0 | 0 | 112 | Q59 Q65 | Q59-D61 PolarHBondContact O-N 3.19Å; D61-Q65 WeakPolarHBondContact O-CB 3.42Å; D61-Q65 PolarHBondContact O-N 2.83Å |
| 62 | L | 97.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.2 | 177.6 | 63.9 | 0 | 0 | 0 | 111.3 | Y42 W56 Q59 K60 Q65 R66 | Y42-L62 HydrophobicContact CE2-CD2 4.43Å; W56-L62 HydrophobicContact CB-CD2 3.86Å; W56-L62 HydrophobicContact CG-CD2 3.95Å; Q59-L62 HydrophobicContact CB-CB 3.9Å; Q59-L62 HydrophobicContact CB-CD2 4.49Å; Q59-L62 PolarHBondContact O-N 3.49Å; K60-L62 VanDerWaalsContact C-N 3.33Å; K60-L62 PolarHBondContact O-N 2.83Å; L62-Q65 PolarHBondContact O-N 2.97Å; L62-R66 HydrophobicContact CD1-CG 4.45Å; L62-R66 WeakPolarHBondContact O-CG 3.31Å; L62-R66 PolarHBondContact O-N 2.8Å |
| 63 | L | 97.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | -178.6 | -166.3 | 65.2 | 0 | 0 | 0 | 111.6 | F35 E41 Q59 K60 R66 R67 | F35-L63 HydrophobicContact CD2-CD1 4.32Å; F35-L63 HydrophobicContact CE2-CD1 4.05Å; E41-L63 HydrophobicContact CB-CD1 3.98Å; Q59-L63 PolarHBondContact O-N 2.77Å; Q59-L63 VanDerWaalsContact O-N 3.1Å; K60-L63 PolarHBondContact O-N 2.86Å; L63-R66 PolarHBondContact O-N 3.03Å; L63-R67 VanDerWaalsContact O-CG 3.29Å; L63-R67 WeakPolarHBondContact O-CG 3.41Å; L63-R67 PolarHBondContact O-N 2.83Å |
| 64 | E | 97.9 | Very high | 98.1 | Very high | 102 Ų | 102 | 73.6 Ų | 73.6 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175 | -69.4 | -53.2 | 129.9 | 0 | 0 | 111.8 | K60 R66 R67 A68 | K60-E64 WeakPolarHBondContact O-CG 3.27Å; K60-E64 PolarHBondContact O-N 2.85Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 2.99Å; E64-R67 PolarHBondContact O-N 3.13Å; E64-R67 IonicContact OE1-CZ 2.84Å; E64-R67 IonicContact OE1-NH1 3.97Å; E64-R67 PolarHBondContact OE1-NH1 3.33Å; E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 2.83Å |
| 65 | Q | 98 | Very high | 98.1 | Very high | 123 Ų | 123 | 70.9 Ų | 70.9 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 174.2 | -170 | -172.9 | 14.9 | 0 | 0 | 111.8 | D61 L62 A68 A69 | D61-Q65 WeakPolarHBondContact O-CB 3.42Å; D61-Q65 PolarHBondContact O-N 2.83Å; L62-Q65 PolarHBondContact O-N 2.97Å; Q65-A68 PolarHBondContact O-N 3.39Å; Q65-A69 PolarHBondContact O-N 2.8Å; Q65-A69 VanDerWaalsContact O-N 3.14Å |
| 66 | R | 98.1 | Very high | 98 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.1 | -71 | -67.4 | -177.8 | -75.5 | -2.1 | 112.7 | D23 F35 Y42 L62 L63 E64 A68 A69 | D23-R66 IonicContact OD2-CZ 2.85Å; D23-R66 IonicContact OD2-NE 3.47Å; D23-R66 PolarHBondContact OD2-NE 3.33Å; D23-R66 IonicContact OD2-NH2 3.99Å; F35-R66 HydrophobicContact CD1-CB 4.01Å; F35-R66 HydrophobicContact CD2-CB 3.83Å; F35-R66 HydrophobicContact CE1-CB 3.83Å; F35-R66 WeakPolarHBondContact CE1-O 3.33Å; F35-R66 HydrophobicContact CE2-CB 3.63Å; F35-R66 HydrophobicContact CG-CB 4.03Å; F35-R66 VanDerWaalsContact CZ-C 3.47Å; F35-R66 HydrophobicContact CZ-CB 3.65Å; Y42-R66 HydrophobicContact CE2-CG 4.1Å; Y42-R66 WeakPolarHBondContact OH-CD 3.39Å; Y42-R66 WeakPolarHBondContact OH-CG 3.41Å; Y42-R66 PolarHBondContact OH-NE 3.48Å; L62-R66 HydrophobicContact CD1-CG 4.45Å; L62-R66 WeakPolarHBondContact O-CG 3.31Å; L62-R66 PolarHBondContact O-N 2.8Å; L63-R66 PolarHBondContact O-N 3.03Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 2.99Å; R66-A68 VanDerWaalsContact C-N 3.33Å; R66-A69 VanDerWaalsContact O-CB 3.25Å; R66-A69 WeakPolarHBondContact O-CB 3.25Å; R66-A69 PolarHBondContact O-N 2.83Å |
| 67 | R | 98.2 | Very high | 98 | Very high | 103 Ų | 103 | 70.3 Ų | 70.3 | 39% | 0.389 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 171.7 | -70.7 | 165.1 | 180 | -179.2 | -5.8 | 111.5 | F35 G40 L63 E64 A69 | F35-R67 HydrophobicContact CE2-CG 4.29Å; F35-R67 HydrophobicContact CZ-CG 3.98Å; G40-R67 PolarHBondContact O-NE 3.09Å; G40-R67 PolarHBondContact O-NH2 3.02Å; L63-R67 VanDerWaalsContact O-CG 3.29Å; L63-R67 WeakPolarHBondContact O-CG 3.41Å; L63-R67 PolarHBondContact O-N 2.83Å; E64-R67 PolarHBondContact O-N 3.13Å; E64-R67 IonicContact OE1-CZ 2.84Å; E64-R67 IonicContact OE1-NH1 3.97Å; E64-R67 PolarHBondContact OE1-NH1 3.33Å; R67-A69 PolarHBondContact O-N 3.02Å |
| 68 | A | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 70.2 Ų | 70.2 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.2 | -11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E64 Q65 R66 V70 D71 T72 | E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 2.83Å; Q65-A68 PolarHBondContact O-N 3.39Å; R66-A68 VanDerWaalsContact C-N 3.33Å; A68-V70 PolarHBondContact O-N 2.95Å; A68-D71 PolarHBondContact O-N 3.42Å; A68-D71 VanDerWaalsContact O-N 3.16Å; A68-T72 HydrophobicContact CB-CG2 4.28Å; A68-T72 WeakPolarHBondContact O-CB 3.45Å; A68-T72 WeakPolarHBondContact O-CG2 3.45Å; A68-T72 PolarHBondContact O-N 2.89Å; A68-T72 PolarHBondContact O-OG1 2.02Å |
| 69 | A | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -23.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F21 Q65 R66 R67 D71 T72 Y73 C74 | F21-A69 HydrophobicContact CD1-CB 3.57Å; F21-A69 HydrophobicContact CD2-CB 4.39Å; F21-A69 HydrophobicContact CE1-CB 3.57Å; F21-A69 HydrophobicContact CE2-CB 4.38Å; F21-A69 HydrophobicContact CG-CB 3.99Å; F21-A69 HydrophobicContact CZ-CB 3.99Å; Q65-A69 PolarHBondContact O-N 2.8Å; Q65-A69 VanDerWaalsContact O-N 3.14Å; R66-A69 VanDerWaalsContact O-CB 3.25Å; R66-A69 WeakPolarHBondContact O-CB 3.25Å; R66-A69 PolarHBondContact O-N 2.83Å; R67-A69 PolarHBondContact O-N 3.02Å; A69-D71 VanDerWaalsContact C-N 3.29Å; A69-D71 PolarHBondContact O-N 3Å; A69-T72 WeakPolarHBondContact CA-OG1 3.24Å; A69-Y73 CarbonylContact O-C 3.6Å; A69-Y73 WeakPolarHBondContact O-CA 3.46Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.46Å; A69-Y73 PolarHBondContact O-N 2.94Å; A69-C74 PolarHBondContact O-N 2.99Å |
| 70 | V | 98.5 | Very high | 97.8 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -57.3 | -45 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | V19 F21 S37 A68 C74 R75 | V19-V70 HydrophobicContact CB-CG1 3.65Å; V19-V70 HydrophobicContact CG1-CG1 3.81Å; V19-V70 WeakPolarHBondContact O-CG1 3.21Å; F21-V70 HydrophobicContact CB-CG2 3.98Å; S37-V70 VanDerWaalsContact CB-CG2 3.49Å; A68-V70 PolarHBondContact O-N 2.95Å; V70-C74 VanDerWaalsContact O-CB 3.3Å; V70-C74 WeakPolarHBondContact O-CB 3.43Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 WeakPolarHBondContact O-CG 3.46Å; V70-R75 PolarHBondContact O-N 2.72Å |
| 71 | D | 98.4 | Very high | 97.7 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -86.5 | -54.8 | 179.7 | -70.8 | -63 | 0 | 0 | 0 | 112.1 | A68 A69 Y73 R75 H76 | A68-D71 PolarHBondContact O-N 3.42Å; A68-D71 VanDerWaalsContact O-N 3.16Å; A69-D71 VanDerWaalsContact C-N 3.29Å; A69-D71 PolarHBondContact O-N 3Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.75Å; D71-R75 VanDerWaalsContact CG-NH1 3.27Å; D71-R75 WeakPolarHBondContact OD1-CD 3.38Å; D71-R75 IonicContact OD1-CZ 3.82Å; D71-R75 IonicContact OD1-NE 2.69Å; D71-R75 IonicContact OD1-NH1 3.83Å; D71-R75 PolarHBondContact OD1-NH1 2.94Å; D71-R75 IonicContact OD2-NH1 3.65Å; D71-R75 PolarHBondContact OD2-NH1 3.31Å; D71-H76 PolarHBondContact O-N 2.8Å; D71-H76 VanDerWaalsContact O-N 3.12Å |
| 72 | T | 97.9 | Very high | 97.6 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -70.9 | -27.1 | -169.7 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | A68 A69 H76 | A68-T72 HydrophobicContact CB-CG2 4.28Å; A68-T72 WeakPolarHBondContact O-CB 3.45Å; A68-T72 WeakPolarHBondContact O-CG2 3.45Å; A68-T72 PolarHBondContact O-N 2.89Å; A68-T72 PolarHBondContact O-OG1 2.02Å; A69-T72 WeakPolarHBondContact CA-OG1 3.24Å; T72-H76 VanDerWaalsContact O-CB 3.26Å; T72-H76 WeakPolarHBondContact O-CB 3.41Å |
| 73 | Y | 97.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -110.8 | -59.4 | 178.9 | -177.1 | -98.7 | 0 | 0 | 0 | 111.1 | F21 A69 D71 N77 | F21-Y73 HydrophobicContact CE2-CD1 4.11Å; F21-Y73 HydrophobicContact CE2-CE1 4.43Å; A69-Y73 CarbonylContact O-C 3.6Å; A69-Y73 WeakPolarHBondContact O-CA 3.46Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.46Å; A69-Y73 PolarHBondContact O-N 2.94Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.75Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.43Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.48Å; Y73-N77 VanDerWaalsContact O-CB 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.35Å; Y73-N77 PolarHBondContact O-N 2.85Å; Y73-N77 PolarHBondContact O-ND2 3.04Å |
| 74 | C | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -68.9 | -58.1 | -172 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | C10 F12 V19 F21 A69 V70 H76 N77 Y78 | C10-C74 HydrophobicContact CB-CB 3.61Å; C10-C74 WeakPolarHBondContact CB-SG 3.38Å; C10-C74 WeakPolarHBondContact SG-CA 3.41Å; C10-C74 WeakPolarHBondContact SG-CB 3.41Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.2Å; F12-C74 HydrophobicContact CE1-CB 4.12Å; F12-C74 HydrophobicContact CZ-CB 3.97Å; F12-C74 WeakPolarHBondContact CZ-O 3.12Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; F21-C74 VanDerWaalsContact CD2-SG 3.54Å; A69-C74 PolarHBondContact O-N 2.99Å; V70-C74 VanDerWaalsContact O-CB 3.3Å; V70-C74 WeakPolarHBondContact O-CB 3.43Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 2.86Å; C74-N77 PolarHBondContact O-N 2.85Å; C74-Y78 WeakPolarHBondContact O-CB 3.27Å; C74-Y78 PolarHBondContact O-N 2.78Å |
| 75 | R | 98.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 64.4 Ų | 64.4 | 28% | 0.275 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -64 | -40.9 | -179.8 | -70 | -172.1 | -178.5 | 96.5 | 3.3 | 112 | T16 V19 V70 D71 Y78 G79 | T16-R75 HydrophobicContact CG2-CG 4.42Å; T16-R75 PolarHBondContact O-NE 3.46Å; T16-R75 VanDerWaalsContact O-NE 3.14Å; V19-R75 HydrophobicContact CG2-CG 3.96Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 WeakPolarHBondContact O-CG 3.46Å; V70-R75 PolarHBondContact O-N 2.72Å; D71-R75 VanDerWaalsContact CG-NH1 3.27Å; D71-R75 WeakPolarHBondContact OD1-CD 3.38Å; D71-R75 IonicContact OD1-CZ 3.82Å; D71-R75 IonicContact OD1-NE 2.69Å; D71-R75 IonicContact OD1-NH1 3.83Å; D71-R75 PolarHBondContact OD1-NH1 2.94Å; D71-R75 IonicContact OD2-NH1 3.65Å; D71-R75 PolarHBondContact OD2-NH1 3.31Å; R75-Y78 PolarHBondContact O-N 2.88Å; R75-G79 PolarHBondContact O-N 3.03Å |
| 76 | H | 97.6 | Very high | 96.6 | Very high | 115 Ų | 115 | 61.4 Ų | 61.4 | 53% | 0.532 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.5 | -56.8 | 174.6 | 178.3 | 71.3 | 0 | 0 | 0 | 111.7 | D71 T72 C74 Y78 G79 V80 | D71-H76 PolarHBondContact O-N 2.8Å; D71-H76 VanDerWaalsContact O-N 3.12Å; T72-H76 VanDerWaalsContact O-CB 3.26Å; T72-H76 WeakPolarHBondContact O-CB 3.41Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 2.86Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 3.22Å; H76-G79 PolarHBondContact O-N 3.37Å; H76-V80 WeakPolarHBondContact O-CG2 3.1Å; H76-V80 PolarHBondContact O-N 2.85Å; H76-V80 VanDerWaalsContact O-N 3.1Å |
| 77 | N | 97.7 | Very high | 96.5 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | -178.4 | -75.8 | -59 | 0 | 0 | 0 | 112.1 | Y73 C74 G79 V80 V81 | Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.43Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.48Å; Y73-N77 VanDerWaalsContact O-CB 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.35Å; Y73-N77 PolarHBondContact O-N 2.85Å; Y73-N77 PolarHBondContact O-ND2 3.04Å; C74-N77 PolarHBondContact O-N 2.85Å; N77-G79 VanDerWaalsContact C-N 3.32Å; N77-G79 PolarHBondContact O-N 2.87Å; N77-V80 PolarHBondContact O-N 2.88Å; N77-V80 VanDerWaalsContact O-N 3.14Å; N77-V81 WeakPolarHBondContact O-CG2 3.39Å; N77-V81 PolarHBondContact O-N 2.85Å |
| 78 | Y | 97.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.5 | -51.4 | 174 | -174.7 | -79.5 | 0 | 0 | 0 | 110.7 | F12 T16 C74 R75 H76 V80 V81 E82 V86 | F12-Y78 HydrophobicContact CB-CE2 4.32Å; F12-Y78 AromaticContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CE2 4.08Å; F12-Y78 HydrophobicContact CD1-CG 4.19Å; F12-Y78 AromaticContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CE2 4.4Å; F12-Y78 AromaticContact CE1-CD2 3.58Å; F12-Y78 HydrophobicContact CE1-CD2 3.58Å; F12-Y78 AromaticContact CE1-CG 3.91Å; F12-Y78 HydrophobicContact CE1-CG 3.91Å; F12-Y78 AromaticContact CE2-CD2 3.95Å; F12-Y78 HydrophobicContact CE2-CD2 3.95Å; F12-Y78 AromaticContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CE2 4.02Å; F12-Y78 AromaticContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CG 4.23Å; T16-Y78 HydrophobicContact CG2-CD1 3.35Å; T16-Y78 HydrophobicContact CG2-CD2 4.23Å; T16-Y78 HydrophobicContact CG2-CE1 3.72Å; T16-Y78 HydrophobicContact CG2-CG 3.64Å; C74-Y78 WeakPolarHBondContact O-CB 3.27Å; C74-Y78 PolarHBondContact O-N 2.78Å; R75-Y78 PolarHBondContact O-N 2.88Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 3.22Å; Y78-V80 VanDerWaalsContact C-N 3.3Å; Y78-V80 PolarHBondContact O-N 3.12Å; Y78-V81 PolarHBondContact O-N 2.96Å; Y78-V81 VanDerWaalsContact O-N 3.15Å; Y78-E82 HydrophobicContact CD1-CB 4.33Å; Y78-E82 HydrophobicContact CD1-CG 4.43Å; Y78-E82 HydrophobicContact CE1-CB 4.2Å; Y78-E82 HydrophobicContact CE1-CG 3.81Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.41Å; Y78-E82 WeakPolarHBondContact O-CA 3.43Å; Y78-E82 VanDerWaalsContact O-CB 3.27Å; Y78-E82 WeakPolarHBondContact O-CB 3.39Å; Y78-E82 PolarHBondContact O-N 3.31Å; Y78-V86 HydrophobicContact CE2-CG2 3.83Å |
| 79 | G | 96.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 52% | 0.515 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R75 H76 N77 | R75-G79 PolarHBondContact O-N 3.03Å; H76-G79 PolarHBondContact O-N 3.37Å; N77-G79 VanDerWaalsContact C-N 3.32Å; N77-G79 PolarHBondContact O-N 2.87Å |
| 80 | V | 96.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | H76 N77 Y78 | H76-V80 WeakPolarHBondContact O-CG2 3.1Å; H76-V80 PolarHBondContact O-N 2.85Å; H76-V80 VanDerWaalsContact O-N 3.1Å; N77-V80 PolarHBondContact O-N 2.88Å; N77-V80 VanDerWaalsContact O-N 3.14Å; Y78-V80 VanDerWaalsContact C-N 3.3Å; Y78-V80 PolarHBondContact O-N 3.12Å |
| 81 | V | 95.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 76.2 Ų | 76.2 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -104.9 | -5.3 | -171.5 | -49.5 | 0 | 0 | 0 | 0 | 115.9 | N77 Y78 S83 F84 T85 | N77-V81 WeakPolarHBondContact O-CG2 3.39Å; N77-V81 PolarHBondContact O-N 2.85Å; Y78-V81 PolarHBondContact O-N 2.96Å; Y78-V81 VanDerWaalsContact O-N 3.15Å; V81-S83 VanDerWaalsContact C-N 3.32Å; V81-S83 PolarHBondContact O-N 3.31Å; V81-F84 HydrophobicContact CB-CD1 4.29Å; V81-F84 HydrophobicContact CB-CE1 3.52Å; V81-F84 HydrophobicContact CB-CE2 3.78Å; V81-F84 HydrophobicContact CB-CZ 3.22Å; V81-F84 HydrophobicContact CG1-CE1 3.7Å; V81-F84 HydrophobicContact CG1-CE2 4.15Å; V81-F84 HydrophobicContact CG1-CZ 3.25Å; V81-F84 WeakPolarHBondContact O-CD1 3.37Å; V81-F84 PolarHBondContact O-N 2.86Å; V81-T85 HydrophobicContact CB-CG2 4.27Å; V81-T85 HydrophobicContact CG2-CG2 4.24Å; V81-T85 PolarHBondContact O-N 2.64Å; V81-T85 VanDerWaalsContact O-N 3.08Å; V81-T85 PolarHBondContact O-OG1 2.73Å |
| 82 | E | 95.3 | Very high | 96.3 | Very high | 63 Ų | 63 | 72.1 Ų | 72.1 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.4 | -44.6 | -171.2 | -172.5 | 178.5 | -153.9 | 0 | 0 | 112.6 | Y78 F84 T85 V86 Q87 | Y78-E82 HydrophobicContact CD1-CB 4.33Å; Y78-E82 HydrophobicContact CD1-CG 4.43Å; Y78-E82 HydrophobicContact CE1-CB 4.2Å; Y78-E82 HydrophobicContact CE1-CG 3.81Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.41Å; Y78-E82 WeakPolarHBondContact O-CA 3.43Å; Y78-E82 VanDerWaalsContact O-CB 3.27Å; Y78-E82 WeakPolarHBondContact O-CB 3.39Å; Y78-E82 PolarHBondContact O-N 3.31Å; E82-F84 VanDerWaalsContact C-N 3.28Å; E82-F84 PolarHBondContact O-N 2.91Å; E82-T85 PolarHBondContact O-N 3.46Å; E82-V86 HydrophobicContact CG-CB 3.87Å; E82-V86 HydrophobicContact CG-CG1 4.44Å; E82-V86 HydrophobicContact CG-CG2 4.19Å; E82-V86 PolarHBondContact O-N 3.26Å; E82-Q87 HydrophobicContact CG-CG 4.21Å; E82-Q87 PolarHBondContact O-N 2.95Å |
| 83 | S | 92.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.7 | -34.1 | -175.3 | 60 | 0 | 0 | 0 | 0 | 113.1 | V81 | V81-S83 VanDerWaalsContact C-N 3.32Å; V81-S83 PolarHBondContact O-N 3.31Å |
| 84 | F | 90.1 | Very high | 96.3 | Very high | 109 Ų | 109 | 69.8 Ų | 69.8 | 48% | 0.478 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -102 | -7.3 | -177.9 | 67.3 | -101.4 | 0 | 0 | 0 | 114.3 | V81 E82 R88 | V81-F84 HydrophobicContact CB-CD1 4.29Å; V81-F84 HydrophobicContact CB-CE1 3.52Å; V81-F84 HydrophobicContact CB-CE2 3.78Å; V81-F84 HydrophobicContact CB-CZ 3.22Å; V81-F84 HydrophobicContact CG1-CE1 3.7Å; V81-F84 HydrophobicContact CG1-CE2 4.15Å; V81-F84 HydrophobicContact CG1-CZ 3.25Å; V81-F84 WeakPolarHBondContact O-CD1 3.37Å; V81-F84 PolarHBondContact O-N 2.86Å; E82-F84 VanDerWaalsContact C-N 3.28Å; E82-F84 PolarHBondContact O-N 2.91Å; F84-R88 WeakPolarHBondContact O-CB 3.4Å; F84-R88 WeakPolarHBondContact O-CD 3.37Å |
| 85 | T | 94.1 | Very high | 96.2 | Very high | 24 Ų | 24 | 73 Ų | 73 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -115.1 | -60.1 | 179 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | V81 E82 Y118 W148 | V81-T85 HydrophobicContact CB-CG2 4.27Å; V81-T85 HydrophobicContact CG2-CG2 4.24Å; V81-T85 PolarHBondContact O-N 2.64Å; V81-T85 VanDerWaalsContact O-N 3.08Å; V81-T85 PolarHBondContact O-OG1 2.73Å; E82-T85 PolarHBondContact O-N 3.46Å; T85-Y118 WeakPolarHBondContact O-CE1 3.44Å; T85-Y118 PolarHBondContact O-OH 3.04Å; T85-W148 HydrophobicContact CG2-CH2 4.13Å; T85-W148 HydrophobicContact CG2-CZ3 3.95Å |
| 86 | V | 94.6 | Very high | 96.1 | Very high | 59 Ų | 59 | 70.4 Ų | 70.4 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -45 | -172 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | Y78 E82 R88 | Y78-V86 HydrophobicContact CE2-CG2 3.83Å; E82-V86 HydrophobicContact CG-CB 3.87Å; E82-V86 HydrophobicContact CG-CG1 4.44Å; E82-V86 HydrophobicContact CG-CG2 4.19Å; E82-V86 PolarHBondContact O-N 3.26Å; V86-R88 VanDerWaalsContact C-N 3.33Å |
| 87 | Q | 94.6 | Very high | 95.8 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -83.7 | -13.9 | -178.5 | -65 | 175.5 | 4.8 | 0 | 0 | 112.5 | E82 R89 | E82-Q87 HydrophobicContact CG-CG 4.21Å; E82-Q87 PolarHBondContact O-N 2.95Å; Q87-R89 PolarHBondContact O-N 2.83Å |
| 88 | R | 96.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 70.1 Ų | 70.1 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | trans | -58.9 | 132.3 | -179.1 | 178.4 | 175.9 | 175.7 | -168.7 | -3 | 110.9 | F84 V86 V90 Y118 | F84-R88 WeakPolarHBondContact O-CB 3.4Å; F84-R88 WeakPolarHBondContact O-CD 3.37Å; V86-R88 VanDerWaalsContact C-N 3.33Å; R88-V90 HydrophobicContact CG-CG2 4.37Å; R88-Y118 HydrophobicContact CB-CD1 4.06Å; R88-Y118 HydrophobicContact CB-CE1 3.87Å; R88-Y118 HydrophobicContact CG-CD1 3.84Å; R88-Y118 HydrophobicContact CG-CE1 4.1Å; R88-Y118 VanDerWaalsContact O-CD1 3.28Å; R88-Y118 WeakPolarHBondContact O-CD1 3.36Å; R88-Y118 WeakPolarHBondContact O-CE1 3.36Å | ||
| 89 | R | 97.3 | Very high | 94.8 | Very high | 117 Ų | 117 | 70.1 Ų | 70.1 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | trans | -131.7 | 131.5 | 173.7 | -59 | -59 | 159.6 | 164.5 | -0.6 | 109.9 | Q87 Y118 | Q87-R89 PolarHBondContact O-N 2.83Å; R89-Y118 CarbonylContact C-O 3.53Å; R89-Y118 WeakPolarHBondContact CA-O 3.28Å | ||
| 90 | V | 97.9 | Very high | 93.5 | Very high | 39 Ų | 39 | 76.4 Ų | 76.4 | 24% | 0.236 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 128.2 | 174 | -171.9 | 0 | 0 | 0 | 0 | 107.5 | R88 G116 F117 Y118 H172 | R88-V90 HydrophobicContact CG-CG2 4.37Å; V90-G116 WeakPolarHBondContact CG1-O 3.42Å; V90-F117 WeakPolarHBondContact O-CA 3.43Å; V90-Y118 PolarHBondContact N-O 3.2Å; V90-Y118 PolarHBondContact O-N 2.89Å; V90-Y118 VanDerWaalsContact O-N 3.1Å; V90-H172 PolarHBondContact O-CE1 3.25Å |
| 91 | Y | 97.8 | Very high | 91.6 | Very high | 173 Ų | 173 | 74.4 Ų | 74.4 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 146.7 | -175.8 | 63.9 | -90.2 | 0 | 0 | 0 | 111.8 | S174 | Y91-S174 VanDerWaalsContact CA-OG 3.27Å; Y91-S174 WeakPolarHBondContact CA-OG 3.25Å |
| 92 | P | 98.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 140.9 | 175.4 | 26.9 | -31.5 | 0 | 0 | 0 | 112.1 | V94 V114 N115 F117 V170 H172 L175 | P92-V94 HydrophobicContact CB-CG2 4.23Å; P92-V114 HydrophobicContact CB-CG1 3.52Å; P92-V114 HydrophobicContact CG-CG1 4.46Å; P92-N115 WeakPolarHBondContact CA-O 3.46Å; P92-F117 HydrophobicContact CB-CB 3.86Å; P92-F117 HydrophobicContact CB-CD1 4.18Å; P92-F117 HydrophobicContact CB-CG 4.33Å; P92-V170 HydrophobicContact CG-CG1 4.02Å; P92-H172 HydrophobicContact CG-CB 4.38Å; P92-L175 HydrophobicContact CG-CD1 4.09Å |
| 93 | E | 98.1 | Very high | 87.8 | Confident | 131 Ų | 131 | 83 Ų | 83 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126.5 | 158 | -173.5 | 178.2 | -176.5 | 0 | 0 | 108.8 | V114 N115 | E93-V114 WeakPolarHBondContact O-CA 3.47Å; E93-N115 PolarHBondContact N-O 2.96Å; E93-N115 PolarHBondContact O-N 3.37Å |
| 94 | V | 98.4 | Very high | 85.8 | Confident | 21 Ų | 21 | 86.6 Ų | 86.6 | 13% | 0.127 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.6 | -175.8 | -176 | 0 | 0 | 0 | 0 | 110 | P92 S113 V114 V170 L179 V181 | P92-V94 HydrophobicContact CB-CG2 4.23Å; V94-S113 WeakPolarHBondContact CA-O 3.39Å; V94-V114 HydrophobicContact CG1-CG2 4.45Å; V94-V114 HydrophobicContact CG2-CG1 4.17Å; V94-V114 HydrophobicContact CG2-CG2 4.32Å; V94-V170 HydrophobicContact CG1-CG2 4.22Å; V94-V170 HydrophobicContact CG2-CB 4.33Å; V94-V170 HydrophobicContact CG2-CG2 3.75Å; V94-L179 HydrophobicContact CB-CD2 4.14Å; V94-L179 HydrophobicContact CG2-CD2 3.51Å; V94-L179 HydrophobicContact CG2-CG 4.34Å; V94-V181 HydrophobicContact CB-CG2 3.83Å; V94-V181 HydrophobicContact CG1-CB 4.14Å; V94-V181 HydrophobicContact CG1-CG2 3.59Å |
| 95 | T | 97 | Very high | 83.9 | Confident | 67 Ų | 67 | 86.9 Ų | 86.9 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 132.7 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 109.9 | Y97 S113 | T95-Y97 HydrophobicContact CG2-CD1 4.08Å; T95-S113 PolarHBondContact N-O 2.72Å; T95-S113 PolarHBondContact O-N 2.61Å |
| 96 | V | 95.9 | Very high | 81.9 | Confident | 18 Ų | 18 | 93.5 Ų | 93.5 | 11% | 0.109 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | V111 C112 W126 C168 V181 W183 | V96-V111 VanDerWaalsContact CA-O 3.31Å; V96-V111 WeakPolarHBondContact CA-O 3.28Å; V96-C112 HydrophobicContact CG2-CB 4.32Å; V96-W126 HydrophobicContact CG1-CH2 3.62Å; V96-W126 HydrophobicContact CG1-CZ3 4.25Å; V96-W126 HydrophobicContact CG2-CH2 4.3Å; V96-C168 HydrophobicContact CG2-CB 3.65Å; V96-V181 HydrophobicContact CB-CG1 4.09Å; V96-V181 HydrophobicContact CG2-CB 3.95Å; V96-V181 HydrophobicContact CG2-CG1 3.68Å; V96-W183 HydrophobicContact CB-CB 4.22Å; V96-W183 HydrophobicContact CG1-CB 3.47Å; V96-W183 VanDerWaalsContact CG1-CB 3.47Å; V96-W183 HydrophobicContact CG1-CG 3.91Å |
| 97 | Y | 90.9 | Very high | 80 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 38% | 0.376 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.9 | 179.3 | 60.3 | -88.5 | 0 | 0 | 0 | 112.4 | T95 A99 V111 | T95-Y97 HydrophobicContact CG2-CD1 4.08Å; Y97-A99 HydrophobicContact CE2-CB 4.5Å; Y97-V111 HydrophobicContact CD2-CB 4.27Å; Y97-V111 HydrophobicContact CE1-CB 4.21Å; Y97-V111 HydrophobicContact CE1-CG1 4.14Å; Y97-V111 HydrophobicContact CE2-CB 3.87Å; Y97-V111 HydrophobicContact CE2-CG1 4.26Å; Y97-V111 HydrophobicContact CE2-CG2 4.06Å; Y97-V111 PolarHBondContact N-O 3.49Å; Y97-V111 PolarHBondContact O-N 2.96Å |
| 98 | P | 89.6 | Confident | 79 | Confident | 72 Ų | 72 | 91.5 Ų | 91.5 | 47% | 0.468 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.7 | 172.2 | 32.4 | -32.3 | 0 | 0 | 0 | 110.7 | L109 L110 W183 | P98-L109 CarbonylContact C-O 3.58Å; P98-L109 WeakPolarHBondContact CA-O 3.32Å; P98-L110 HydrophobicContact CB-CD2 4.1Å; P98-W183 HydrophobicContact CB-CZ2 4.26Å; P98-W183 HydrophobicContact CG-CZ2 4.16Å |
| 99 | A | 83.9 | Confident | 78.5 | Confident | 31 Ų | 31 | 89.5 Ų | 89.5 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y97 L109 V111 | Y97-A99 HydrophobicContact CE2-CB 4.5Å; A99-L109 HydrophobicContact CB-CB 4.32Å; A99-L109 PolarHBondContact N-O 2.85Å; A99-L109 PolarHBondContact O-N 2.88Å; A99-V111 HydrophobicContact CB-CG2 3.66Å |
| 100 | K | 69.9 | Low | 78.3 | Confident | 181 Ų | 181 | 83.9 Ų | 83.9 | 79% | 0.787 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.2 | 176.1 | -66.8 | -173.3 | 178.3 | -173.8 | 0 | 109.8 | Q102 | K100-Q102 PolarHBondContact O-N 2.95Å |
| 101 | T | 56.8 | Low | 78.2 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 25% | 0.252 | 41% | 0.413 | S | S | . | . | trans | -89.4 | 92.2 | 170.9 | 44.7 | 0 | 0 | 0 | 0 | 109.9 | H107 L109 | T101-H107 PolarHBondContact OG1-O 3.26Å; T101-H107 VanDerWaalsContact OG1-O 3.13Å; T101-L109 HydrophobicContact CG2-CD1 3.16Å; T101-L109 HydrophobicContact CG2-CG 3.54Å | ||
| 102 | Q | 56.9 | Low | 78.2 | Confident | 148 Ų | 148 | 74.1 Ų | 74.1 | 69% | 0.692 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 153.4 | 179 | -67.3 | 179 | 3.2 | 0 | 0 | 116.1 | K100 L104 | K100-Q102 PolarHBondContact O-N 2.95Å; Q102-L104 PolarHBondContact O-N 3.17Å; Q102-L104 VanDerWaalsContact O-N 3.14Å |
| 103 | P | 54 | Low | 78.2 | Confident | 139 Ų | 139 | 75 Ų | 75 | 90% | 0.903 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.9 | -175 | -20.7 | 32.8 | 0 | 0 | 0 | 115.8 | ||
| 104 | L | 50.1 | Low | 78.2 | Confident | 156 Ų | 156 | 68.8 Ų | 68.8 | 82% | 0.817 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -9.7 | -166.9 | -76.4 | 157.5 | 0 | 0 | 0 | 114.5 | Q102 | Q102-L104 PolarHBondContact O-N 3.17Å; Q102-L104 VanDerWaalsContact O-N 3.14Å |
| 105 | Q | 49.4 | Very low | 78.2 | Confident | 114 Ų | 114 | 70.4 Ų | 70.4 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | trans | -107 | 125.4 | -178.8 | -81.3 | 179.7 | -14 | 0 | 0 | 110 | H107 | Q105-H107 PolarHBondContact O-N 3.3Š| ||
| 106 | H | 53.3 | Low | 78.2 | Confident | 164 Ų | 164 | 68.3 Ų | 68.3 | 76% | 0.759 | 36% | 0.358 | S | S | * | . | trans | -70.8 | 9.3 | 178.4 | -67.9 | 75.3 | 0 | 0 | 0 | 113.1 | V159 | H106-V159 VanDerWaalsContact O-CG2 3.32Å; H106-V159 WeakPolarHBondContact O-CG2 3.38Å | ||
| 107 | H | 54.3 | Low | 78.4 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 120.5 | 179.8 | -61.8 | -85.6 | 0 | 0 | 0 | 108.6 | T101 Q105 E157 | T101-H107 PolarHBondContact OG1-O 3.26Å; T101-H107 VanDerWaalsContact OG1-O 3.13Å; Q105-H107 PolarHBondContact O-N 3.3Å; H107-E157 HydrophobicContact CB-CG 4.23Å; H107-E157 IonicContact CE1-OE1 3.35Å; H107-E157 PolarHBondContact CE1-OE1 3.36Å; H107-E157 IonicContact CG-OE1 3.34Å; H107-E157 IonicContact ND1-OE1 2.83Å; H107-E157 PolarHBondContact ND1-OE1 2.89Å |
| 108 | N | 73 | Confident | 78.7 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.5 | 170.6 | -72.2 | -46.5 | 0 | 0 | 0 | 107.3 | T158 P160 | N108-T158 CarbonylContact C-O 3.46Å; N108-T158 WeakPolarHBondContact CA-O 3.43Å; N108-T158 PolarHBondContact N-O 2.88Å; N108-T158 CarbonylContact O-C 3.59Å; N108-T158 PolarHBondContact O-N 3.04Å; N108-T158 VanDerWaalsContact O-N 3.13Å; N108-P160 HydrophobicContact CB-CG 4.44Å |
| 109 | L | 86.5 | Confident | 79.1 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 18% | 0.178 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.3 | 169.8 | -72.3 | -179 | 0 | 0 | 0 | 108.4 | P98 A99 T101 V111 M155 E157 | P98-L109 CarbonylContact C-O 3.58Å; P98-L109 WeakPolarHBondContact CA-O 3.32Å; A99-L109 HydrophobicContact CB-CB 4.32Å; A99-L109 PolarHBondContact N-O 2.85Å; A99-L109 PolarHBondContact O-N 2.88Å; T101-L109 HydrophobicContact CG2-CD1 3.16Å; T101-L109 HydrophobicContact CG2-CG 3.54Å; L109-V111 HydrophobicContact CB-CG2 4.47Å; L109-M155 HydrophobicContact CD1-SD 4.47Å; L109-E157 HydrophobicContact CD2-CB 3.98Å; L109-E157 HydrophobicContact CD2-CG 4.3Å |
| 110 | L | 92.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.6 | 160.2 | -73.3 | 177 | 0 | 0 | 0 | 108.3 | P98 W126 M155 L156 T158 P160 Y166 W183 | P98-L110 HydrophobicContact CB-CD2 4.1Å; L110-W126 HydrophobicContact CB-CH2 3.84Å; L110-W126 HydrophobicContact CB-CZ2 4.08Å; L110-M155 CarbonylContact O-C 3.54Å; L110-M155 VanDerWaalsContact O-CA 3.29Å; L110-M155 WeakPolarHBondContact O-CA 3.45Å; L110-L156 HydrophobicContact CB-CB 4.43Å; L110-L156 PolarHBondContact N-O 3.1Å; L110-L156 PolarHBondContact O-N 3.23Å; L110-T158 HydrophobicContact CD1-CG2 3.94Å; L110-T158 HydrophobicContact CG-CG2 4.17Å; L110-P160 HydrophobicContact CD1-CG 4.33Å; L110-P160 HydrophobicContact CG-CG 4.44Å; L110-Y166 HydrophobicContact CD1-CD1 3.64Å; L110-Y166 HydrophobicContact CD1-CD2 3.76Å; L110-Y166 HydrophobicContact CD1-CE1 4.11Å; L110-Y166 HydrophobicContact CD1-CE2 4.25Å; L110-Y166 HydrophobicContact CD1-CG 3.43Å; L110-Y166 VanDerWaalsContact CD1-CG 3.43Å; L110-W183 HydrophobicContact CD1-CD2 4.46Å; L110-W183 HydrophobicContact CD1-CE3 3.73Å; L110-W183 HydrophobicContact CD1-CZ3 3.88Å; L110-W183 HydrophobicContact CD2-CD2 3.66Å; L110-W183 HydrophobicContact CD2-CE3 3.64Å; L110-W183 HydrophobicContact CD2-CG 4.35Å; L110-W183 HydrophobicContact CD2-CH2 3.87Å; L110-W183 HydrophobicContact CD2-CZ2 3.88Å; L110-W183 HydrophobicContact CD2-CZ3 3.75Å; L110-W183 HydrophobicContact CG-CE3 4.36Å; L110-W183 HydrophobicContact CG-CZ3 4.39Å |
| 111 | V | 95.4 | Very high | 81 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.4 | -177.8 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | V96 Y97 A99 L109 L153 M155 | V96-V111 VanDerWaalsContact CA-O 3.31Å; V96-V111 WeakPolarHBondContact CA-O 3.28Å; Y97-V111 HydrophobicContact CD2-CB 4.27Å; Y97-V111 HydrophobicContact CE1-CB 4.21Å; Y97-V111 HydrophobicContact CE1-CG1 4.14Å; Y97-V111 HydrophobicContact CE2-CB 3.87Å; Y97-V111 HydrophobicContact CE2-CG1 4.26Å; Y97-V111 HydrophobicContact CE2-CG2 4.06Å; Y97-V111 PolarHBondContact N-O 3.49Å; Y97-V111 PolarHBondContact O-N 2.96Å; A99-V111 HydrophobicContact CB-CG2 3.66Å; L109-V111 HydrophobicContact CB-CG2 4.47Å; V111-L153 HydrophobicContact CG1-CB 4.4Å; V111-L153 HydrophobicContact CG1-CD2 4.29Å; V111-M155 HydrophobicContact CG1-CG 4.28Å; V111-M155 HydrophobicContact CG2-CG 4.21Å |
| 112 | C | 97.8 | Very high | 83 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.4 | 163.8 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | V96 W126 V154 C168 | V96-C112 HydrophobicContact CG2-CB 4.32Å; C112-W126 HydrophobicContact CB-CH2 4.2Å; C112-W126 HydrophobicContact CB-CZ2 3.55Å; C112-V154 WeakPolarHBondContact CB-O 3.04Å; C112-V154 PolarHBondContact N-O 2.94Å; C112-V154 PolarHBondContact O-N 3.47Å; C112-C168 HydrophobicContact CB-CB 3.62Å; C112-C168 WeakPolarHBondContact CB-SG 3.22Å; C112-C168 WeakPolarHBondContact SG-CB 3.39Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 3.35Å |
| 113 | S | 98.1 | Very high | 84.9 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 16% | 0.161 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117.6 | 176 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | V94 T95 L153 | V94-S113 WeakPolarHBondContact CA-O 3.39Å; T95-S113 PolarHBondContact N-O 2.72Å; T95-S113 PolarHBondContact O-N 2.61Å; S113-L153 WeakPolarHBondContact OG-CD2 3.42Å |
| 114 | V | 98.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 115 | 179.3 | -171.2 | 0 | 0 | 0 | 0 | 107.7 | P92 E93 V94 F117 I122 V124 Q151 T152 V170 | P92-V114 HydrophobicContact CB-CG1 3.52Å; P92-V114 HydrophobicContact CG-CG1 4.46Å; E93-V114 WeakPolarHBondContact O-CA 3.47Å; V94-V114 HydrophobicContact CG1-CG2 4.45Å; V94-V114 HydrophobicContact CG2-CG1 4.17Å; V94-V114 HydrophobicContact CG2-CG2 4.32Å; V114-F117 HydrophobicContact CB-CE1 4.33Å; V114-F117 HydrophobicContact CG1-CD1 3.85Å; V114-F117 HydrophobicContact CG1-CE1 3.86Å; V114-F117 WeakPolarHBondContact O-CE1 3.21Å; V114-I122 HydrophobicContact CG1-CD1 3.53Å; V114-V124 HydrophobicContact CG2-CG1 4.29Å; V114-V124 HydrophobicContact CG2-CG2 4.02Å; V114-Q151 CarbonylContact O-C 3.46Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.38Å; V114-T152 HydrophobicContact CB-CG2 4.06Å; V114-T152 PolarHBondContact N-O 3.08Å; V114-T152 PolarHBondContact O-N 3.39Å; V114-V170 HydrophobicContact CG1-CG1 4.14Å; V114-V170 HydrophobicContact CG1-CG2 4.42Å; V114-V170 HydrophobicContact CG2-CG2 3.82Å |
| 115 | N | 98.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 160.1 | -168.7 | -167.6 | 16.6 | 0 | 0 | 0 | 112.4 | P92 E93 F117 N145 Q151 | P92-N115 WeakPolarHBondContact CA-O 3.46Å; E93-N115 PolarHBondContact N-O 2.96Å; E93-N115 PolarHBondContact O-N 3.37Å; N115-F117 VanDerWaalsContact C-N 3.29Å; N115-F117 PolarHBondContact O-N 2.9Å; N115-N145 PolarHBondContact OD1-ND2 3.26Å; N115-Q151 HydrophobicContact CB-CB 4.29Å; N115-Q151 WeakPolarHBondContact OD1-CB 3.39Å |
| 116 | G | 97.9 | Very high | 91.7 | Very high | 23 Ų | 23 | 39 Ų | 39 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.2 | 11.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V90 F150 | V90-G116 WeakPolarHBondContact CG1-O 3.42Å; G116-F150 PolarHBondContact N-O 2.84Å |
| 117 | F | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 157.6 | -173.6 | 62.4 | -88.6 | 0 | 0 | 0 | 113.3 | V90 P92 V114 N115 P119 I122 L142 T149 F150 T152 H172 | V90-F117 WeakPolarHBondContact O-CA 3.43Å; P92-F117 HydrophobicContact CB-CB 3.86Å; P92-F117 HydrophobicContact CB-CD1 4.18Å; P92-F117 HydrophobicContact CB-CG 4.33Å; V114-F117 HydrophobicContact CB-CE1 4.33Å; V114-F117 HydrophobicContact CG1-CD1 3.85Å; V114-F117 HydrophobicContact CG1-CE1 3.86Å; V114-F117 WeakPolarHBondContact O-CE1 3.21Å; N115-F117 VanDerWaalsContact C-N 3.29Å; N115-F117 PolarHBondContact O-N 2.9Å; F117-P119 WeakPolarHBondContact CD2-O 3.45Å; F117-I122 HydrophobicContact CD1-CD1 3.88Å; F117-I122 HydrophobicContact CD2-CB 4.41Å; F117-I122 HydrophobicContact CD2-CD1 3.82Å; F117-I122 HydrophobicContact CE1-CD1 3.71Å; F117-I122 HydrophobicContact CE2-CB 3.82Å; F117-I122 HydrophobicContact CE2-CD1 3.66Å; F117-I122 HydrophobicContact CE2-CG1 4.35Å; F117-I122 HydrophobicContact CE2-CG2 3.75Å; F117-I122 HydrophobicContact CG-CD1 3.94Å; F117-I122 HydrophobicContact CZ-CB 4.21Å; F117-I122 HydrophobicContact CZ-CD1 3.62Å; F117-I122 HydrophobicContact CZ-CG2 3.76Å; F117-L142 HydrophobicContact CE2-CD1 3.84Å; F117-L142 HydrophobicContact CZ-CD1 3.74Å; F117-T149 WeakPolarHBondContact O-CA 3.46Å; F117-F150 VanDerWaalsContact CD1-O 3.31Å; F117-F150 WeakPolarHBondContact CD1-O 3.44Å; F117-F150 HydrophobicContact CD2-CB 4.11Å; F117-F150 HydrophobicContact CE1-CB 4.32Å; F117-F150 WeakPolarHBondContact CE1-O 3.09Å; F117-F150 HydrophobicContact CE2-CB 3.68Å; F117-F150 HydrophobicContact CZ-CB 3.8Å; F117-F150 PolarHBondContact N-O 2.92Å; F117-F150 PolarHBondContact O-N 2.89Å; F117-T152 HydrophobicContact CE1-CG2 4.32Å; F117-T152 HydrophobicContact CZ-CG2 4.25Å; F117-H172 AromaticContact CD2-CD2 3.89Å; F117-H172 AromaticContact CD2-NE2 3.81Å |
| 118 | Y | 98.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -153.8 | 138.4 | 172.3 | -178.7 | -81.6 | 0 | 0 | 0 | 110.4 | T85 R88 R89 V90 W148 F150 H172 | T85-Y118 WeakPolarHBondContact O-CE1 3.44Å; T85-Y118 PolarHBondContact O-OH 3.04Å; R88-Y118 HydrophobicContact CB-CD1 4.06Å; R88-Y118 HydrophobicContact CB-CE1 3.87Å; R88-Y118 HydrophobicContact CG-CD1 3.84Å; R88-Y118 HydrophobicContact CG-CE1 4.1Å; R88-Y118 VanDerWaalsContact O-CD1 3.28Å; R88-Y118 WeakPolarHBondContact O-CD1 3.36Å; R88-Y118 WeakPolarHBondContact O-CE1 3.36Å; R89-Y118 CarbonylContact C-O 3.53Å; R89-Y118 WeakPolarHBondContact CA-O 3.28Å; V90-Y118 PolarHBondContact N-O 3.2Å; V90-Y118 PolarHBondContact O-N 2.89Å; V90-Y118 VanDerWaalsContact O-N 3.1Å; Y118-W148 WeakPolarHBondContact CD2-O 3.18Å; Y118-W148 HydrophobicContact CE2-CE3 4.44Å; Y118-F150 HydrophobicContact CD2-CD2 4.12Å; Y118-F150 AromaticContact CD2-CE2 3.59Å; Y118-F150 HydrophobicContact CD2-CE2 3.59Å; Y118-F150 AromaticContact CE2-CE2 3.98Å; Y118-F150 HydrophobicContact CE2-CE2 3.98Å; Y118-H172 PolarHBondContact O-CE1 3.27Å; Y118-H172 PolarHBondContact O-NE2 2.85Å |
| 119 | P | 97.8 | Very high | 96.7 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | S | Bend | cis | -79.3 | -178.1 | 3.1 | 36 | -39.9 | 0 | 0 | 0 | 112.8 | F117 S121 H172 | F117-P119 WeakPolarHBondContact CD2-O 3.45Å; P119-S121 PolarHBondContact O-N 2.96Å; P119-H172 PolarHBondContact O-NE2 3.26Å |
| 120 | G | 97.2 | Very high | 97.1 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -69.2 | -11.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | I122 L142 F150 | G120-I122 PolarHBondContact O-N 3.47Å; G120-L142 WeakPolarHBondContact O-CD1 3.24Å; G120-F150 VanDerWaalsContact N-CE2 3.29Å |
| 121 | S | 96.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 43.2 Ų | 43.2 | 60% | 0.601 | 24% | 0.244 | S | C | * | . | trans | -72.2 | 113.1 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | P119 H172 P173 | P119-S121 PolarHBondContact O-N 2.96Å; S121-H172 PolarHBondContact O-CD2 3.14Å; S121-H172 VanDerWaalsContact O-CD2 3.26Å; S121-P173 WeakPolarHBondContact O-CD 3.49Å | ||
| 122 | I | 98.3 | Very high | 97.4 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | trans | -147.5 | 148.2 | -176.6 | -164.5 | 163.4 | 0 | 0 | 0 | 110.6 | V114 F117 G120 V124 T152 V170 E171 H172 | V114-I122 HydrophobicContact CG1-CD1 3.53Å; F117-I122 HydrophobicContact CD1-CD1 3.88Å; F117-I122 HydrophobicContact CD2-CB 4.41Å; F117-I122 HydrophobicContact CD2-CD1 3.82Å; F117-I122 HydrophobicContact CE1-CD1 3.71Å; F117-I122 HydrophobicContact CE2-CB 3.82Å; F117-I122 HydrophobicContact CE2-CD1 3.66Å; F117-I122 HydrophobicContact CE2-CG1 4.35Å; F117-I122 HydrophobicContact CE2-CG2 3.75Å; F117-I122 HydrophobicContact CG-CD1 3.94Å; F117-I122 HydrophobicContact CZ-CB 4.21Å; F117-I122 HydrophobicContact CZ-CD1 3.62Å; F117-I122 HydrophobicContact CZ-CG2 3.76Å; G120-I122 PolarHBondContact O-N 3.47Å; I122-V124 HydrophobicContact CD1-CG2 4.3Å; I122-V124 HydrophobicContact CG1-CG2 4.11Å; I122-T152 HydrophobicContact CG2-CG2 4.37Å; I122-V170 HydrophobicContact CD1-CG1 3.75Å; I122-V170 HydrophobicContact CG1-CG1 4Å; I122-E171 WeakPolarHBondContact CG1-O 3.39Å; I122-H172 HydrophobicContact CD1-CB 4.42Å; I122-H172 HydrophobicContact CG1-CB 4.24Å | ||
| 123 | E | 98.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.6 | 170 | -177 | 178.5 | 165.8 | 0 | 0 | 109.3 | R125 V170 E171 | E123-R125 HydrophobicContact CG-CG 4.29Å; E123-R125 WeakPolarHBondContact OE1-CD 3.43Å; E123-R125 IonicContact OE1-CZ 3.31Å; E123-R125 IonicContact OE1-NE 2.64Å; E123-R125 IonicContact OE1-NH1 3.52Å; E123-R125 PolarHBondContact OE1-NH1 2.87Å; E123-R125 IonicContact OE2-NH1 3.44Å; E123-V170 WeakPolarHBondContact O-CA 3.42Å; E123-E171 HydrophobicContact CB-CB 4.28Å; E123-E171 PolarHBondContact N-O 3.34Å; E123-E171 PolarHBondContact O-N 2.76Å |
| 124 | V | 98.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.1 | -178 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | V114 I122 T152 V154 C168 Q169 V170 | V114-V124 HydrophobicContact CG2-CG1 4.29Å; V114-V124 HydrophobicContact CG2-CG2 4.02Å; I122-V124 HydrophobicContact CD1-CG2 4.3Å; I122-V124 HydrophobicContact CG1-CG2 4.11Å; V124-T152 HydrophobicContact CG2-CG2 4.27Å; V124-V154 HydrophobicContact CB-CB 4.4Å; V124-V154 HydrophobicContact CB-CG2 3.72Å; V124-V154 HydrophobicContact CG1-CB 3.82Å; V124-V154 HydrophobicContact CG1-CG1 4.3Å; V124-V154 HydrophobicContact CG1-CG2 3.64Å; V124-V154 HydrophobicContact CG2-CG2 4.3Å; V124-C168 VanDerWaalsContact CG1-SG 3.57Å; V124-Q169 CarbonylContact C-O 3.59Å; V124-Q169 WeakPolarHBondContact CA-O 3.48Å; V124-V170 HydrophobicContact CG1-CG2 4.23Å; V124-V170 HydrophobicContact CG2-CG1 4.39Å; V124-V170 HydrophobicContact CG2-CG2 4.2Å |
| 125 | R | 98.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 60.4 Ų | 60.4 | 21% | 0.211 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.7 | -176.6 | -65.5 | -173.5 | -64 | -129.3 | 4.3 | 111 | E123 F127 E132 Q169 E171 | E123-R125 HydrophobicContact CG-CG 4.29Å; E123-R125 WeakPolarHBondContact OE1-CD 3.43Å; E123-R125 IonicContact OE1-CZ 3.31Å; E123-R125 IonicContact OE1-NE 2.64Å; E123-R125 IonicContact OE1-NH1 3.52Å; E123-R125 PolarHBondContact OE1-NH1 2.87Å; E123-R125 IonicContact OE2-NH1 3.44Å; R125-F127 HydrophobicContact CB-CD2 4.45Å; R125-F127 HydrophobicContact CB-CE2 3.74Å; R125-F127 HydrophobicContact CB-CZ 4.45Å; R125-E132 WeakPolarHBondContact CD-OE1 3.36Å; R125-Q169 PolarHBondContact N-O 3.15Å; R125-Q169 PolarHBondContact O-N 2.82Å; R125-E171 IonicContact CZ-OE1 3.54Å; R125-E171 IonicContact NH1-OE1 3.46Å; R125-E171 IonicContact NH2-OE1 3.99Å; R125-E171 PolarHBondContact NH2-OE1 3.19Å |
| 126 | W | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.6 | 170.9 | -84.3 | 107.1 | 0 | 0 | 0 | 110.7 | V96 L110 C112 E132 E133 V137 V154 L156 T167 C168 | V96-W126 HydrophobicContact CG1-CH2 3.62Å; V96-W126 HydrophobicContact CG1-CZ3 4.25Å; V96-W126 HydrophobicContact CG2-CH2 4.3Å; L110-W126 HydrophobicContact CB-CH2 3.84Å; L110-W126 HydrophobicContact CB-CZ2 4.08Å; C112-W126 HydrophobicContact CB-CH2 4.2Å; C112-W126 HydrophobicContact CB-CZ2 3.55Å; W126-E132 WeakPolarHBondContact O-CA 3.35Å; W126-E133 HydrophobicContact CB-CB 4.39Å; W126-E133 PolarHBondContact O-N 2.94Å; W126-V137 HydrophobicContact CB-CG2 4.21Å; W126-V137 HydrophobicContact CG-CG2 4.42Å; W126-V154 PolarHBondContact NE1-O 3.12Å; W126-L156 HydrophobicContact CB-CD2 4.43Å; W126-L156 HydrophobicContact CD2-CB 4.06Å; W126-L156 HydrophobicContact CD2-CD2 4.23Å; W126-L156 HydrophobicContact CE3-CD2 4.32Å; W126-L156 HydrophobicContact CG-CB 4.06Å; W126-L156 HydrophobicContact CG-CD2 4.31Å; W126-L156 HydrophobicContact CZ2-CB 4.41Å; W126-T167 CarbonylContact C-O 3.57Å; W126-C168 HydrophobicContact CE3-CB 4.38Å; W126-C168 HydrophobicContact CH2-CB 4.32Å; W126-C168 HydrophobicContact CZ3-CB 4.19Å |
| 127 | F | 97.7 | Very high | 96.5 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.4 | 170.3 | -64.5 | -104.7 | 0 | 0 | 0 | 109.7 | R125 Q131 E132 Y166 T167 Q169 | R125-F127 HydrophobicContact CB-CD2 4.45Å; R125-F127 HydrophobicContact CB-CE2 3.74Å; R125-F127 HydrophobicContact CB-CZ 4.45Å; F127-Q131 CarbonylContact C-O 3.51Å; F127-Q131 WeakPolarHBondContact CA-O 3.3Å; F127-E132 HydrophobicContact CD1-CB 4.08Å; F127-E132 HydrophobicContact CE1-CB 3.81Å; F127-E132 HydrophobicContact CE1-CG 4.35Å; F127-E132 HydrophobicContact CZ-CB 4.28Å; F127-E132 HydrophobicContact CZ-CG 4.33Å; F127-Y166 CarbonylContact O-C 3.5Å; F127-Y166 WeakPolarHBondContact O-CA 3.29Å; F127-T167 PolarHBondContact N-O 2.92Å; F127-T167 PolarHBondContact O-N 2.84Å; F127-Q169 HydrophobicContact CD2-CB 4.08Å; F127-Q169 HydrophobicContact CE2-CB 3.72Å; F127-Q169 HydrophobicContact CE2-CG 4.41Å; F127-Q169 VanDerWaalsContact CE2-OE1 3.27Å |
| 128 | R | 95.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.6 | 171.5 | -177.5 | -178 | -179.1 | 177.9 | 3.3 | 108.3 | G130 Q131 E164 Y166 | R128-G130 PolarHBondContact O-N 3.17Å; R128-G130 VanDerWaalsContact O-N 3.13Å; R128-Q131 PolarHBondContact N-O 2.88Å; R128-Q131 PolarHBondContact O-N 3.45Å; R128-E164 IonicContact CZ-OE1 3.49Å; R128-E164 IonicContact NE-OE1 3.15Å; R128-E164 IonicContact NE-OE2 2.89Å; R128-E164 IonicContact NH2-OE1 2.67Å; R128-E164 PolarHBondContact NH2-OE1 2.77Å; R128-E164 IonicContact NH2-OE2 3.52Å; R128-Y166 HydrophobicContact CB-CD1 4.32Å; R128-Y166 HydrophobicContact CB-CE1 4.25Å; R128-Y166 HydrophobicContact CG-CD1 4.28Å; R128-Y166 HydrophobicContact CG-CE1 3.86Å; R128-Y166 PolarHBondContact NE-OH 2.91Å |
| 129 | N | 93.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 65.6 Ų | 65.6 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 37.2 | -176.2 | -56.6 | -34.4 | 0 | 0 | 0 | 113 | V165 | N129-V165 PolarHBondContact N-O 2.89Å; N129-V165 PolarHBondContact OD1-N 3.14Å; N129-V165 PolarHBondContact OD1-O 2.84Å |
| 130 | G | 93.5 | Very high | 96.1 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -3.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | R128 | R128-G130 PolarHBondContact O-N 3.17Å; R128-G130 VanDerWaalsContact O-N 3.13Å |
| 131 | Q | 96.7 | Very high | 96.1 | Very high | 155 Ų | 155 | 68.1 Ų | 68.1 | 72% | 0.724 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.5 | 173.7 | -65.1 | -171.6 | -19.1 | 0 | 0 | 110.8 | F127 R128 E133 | F127-Q131 CarbonylContact C-O 3.51Å; F127-Q131 WeakPolarHBondContact CA-O 3.3Å; R128-Q131 PolarHBondContact N-O 2.88Å; R128-Q131 PolarHBondContact O-N 3.45Å; Q131-E133 PolarHBondContact O-N 2.73Å |
| 132 | E | 97.6 | Very high | 96.1 | Very high | 87 Ų | 87 | 68 Ų | 68 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 128.7 | 178.9 | -168.6 | -172.4 | 179.7 | 0 | 0 | 110.3 | R125 W126 F127 K134 | R125-E132 WeakPolarHBondContact CD-OE1 3.36Å; W126-E132 WeakPolarHBondContact O-CA 3.35Å; F127-E132 HydrophobicContact CD1-CB 4.08Å; F127-E132 HydrophobicContact CE1-CB 3.81Å; F127-E132 HydrophobicContact CE1-CG 4.35Å; F127-E132 HydrophobicContact CZ-CB 4.28Å; F127-E132 HydrophobicContact CZ-CG 4.33Å; E132-K134 HydrophobicContact CG-CG 4.49Å; E132-K134 WeakPolarHBondContact OE1-CE 3.48Å; E132-K134 IonicContact OE1-NZ 2.85Å; E132-K134 WeakPolarHBondContact OE2-CE 3.47Å; E132-K134 IonicContact OE2-NZ 3.59Å; E132-K134 PolarHBondContact OE2-NZ 3.2Å |
| 133 | E | 95.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 69 Ų | 69 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.3 | 177.8 | -173.2 | 63 | -98 | 0 | 0 | 109.2 | W126 Q131 T135 V137 L156 | W126-E133 HydrophobicContact CB-CB 4.39Å; W126-E133 PolarHBondContact O-N 2.94Å; Q131-E133 PolarHBondContact O-N 2.73Å; E133-T135 WeakPolarHBondContact OE1-CB 3.27Å; E133-T135 PolarHBondContact OE1-N 3.25Å; E133-V137 WeakPolarHBondContact O-CG2 3.37Å; E133-L156 HydrophobicContact CG-CD1 3.64Å; E133-L156 HydrophobicContact CG-CD2 4.4Å |
| 134 | K | 95.6 | Very high | 96.1 | Very high | 144 Ų | 144 | 72.1 Ų | 72.1 | 63% | 0.626 | 40% | 0.399 | S | S | * | . | trans | -114.4 | -22.3 | 177 | -62.8 | -175.8 | -178.2 | 179.2 | 0 | 111.8 | E132 | E132-K134 HydrophobicContact CG-CG 4.49Å; E132-K134 WeakPolarHBondContact OE1-CE 3.48Å; E132-K134 IonicContact OE1-NZ 2.85Å; E132-K134 WeakPolarHBondContact OE2-CE 3.47Å; E132-K134 IonicContact OE2-NZ 3.59Å; E132-K134 PolarHBondContact OE2-NZ 3.2Å | ||
| 135 | T | 93.9 | Very high | 96 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 130.9 | -177.6 | -49 | 0 | 0 | 0 | 0 | 109.1 | E133 V137 L156 | E133-T135 WeakPolarHBondContact OE1-CB 3.27Å; E133-T135 PolarHBondContact OE1-N 3.25Å; T135-V137 PolarHBondContact O-N 3.07Å; T135-L156 WeakPolarHBondContact O-CD1 3.44Å |
| 136 | G | 90.7 | Very high | 95.9 | Very high | 30 Ų | 30 | 74.3 Ų | 74.3 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 11.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | E157 | G136-E157 PolarHBondContact O-N 3.02Š|
| 137 | V | 95.9 | Very high | 95.8 | Very high | 47 Ų | 47 | 78.8 Ų | 78.8 | 29% | 0.285 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.1 | 173 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | W126 E133 T135 V154 M155 L156 | W126-V137 HydrophobicContact CB-CG2 4.21Å; W126-V137 HydrophobicContact CG-CG2 4.42Å; E133-V137 WeakPolarHBondContact O-CG2 3.37Å; T135-V137 PolarHBondContact O-N 3.07Å; V137-V154 HydrophobicContact CG1-CG1 3.57Å; V137-M155 CarbonylContact C-O 3.51Å; V137-M155 VanDerWaalsContact CA-O 3.25Å; V137-M155 WeakPolarHBondContact CA-O 3.27Å; V137-L156 HydrophobicContact CG2-CD1 3.76Å |
| 138 | V | 95.3 | Very high | 95.6 | Very high | 83 Ų | 83 | 83.9 Ų | 83.9 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.2 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | M155 | V138-M155 HydrophobicContact CB-CE 4.28Å; V138-M155 HydrophobicContact CG1-CE 4.07Å; V138-M155 PolarHBondContact N-O 3.35Å; V138-M155 PolarHBondContact O-N 2.95Å |
| 139 | S | 96.2 | Very high | 95.8 | Very high | 64 Ų | 64 | 81.4 Ų | 81.4 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.2 | 175 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | G141 T152 L153 | S139-G141 PolarHBondContact O-N 3.04Å; S139-G141 PolarHBondContact OG-N 3.27Å; S139-T152 PolarHBondContact OG-OG1 3.24Å; S139-L153 WeakPolarHBondContact CA-O 3.01Å |
| 140 | T | 95.7 | Very high | 96 | Very high | 64 Ų | 64 | 78.2 Ų | 78.2 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | trans | -70.6 | -9.2 | 168.6 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | L153 M155 | T140-L153 HydrophobicContact CG2-CB 3.79Å; T140-L153 HydrophobicContact CG2-CD1 4.21Å; T140-L153 HydrophobicContact CG2-CG 4.25Å; T140-L153 PolarHBondContact N-O 2.64Å; T140-L153 PolarHBondContact OG1-N 2.76Å; T140-M155 HydrophobicContact CG2-CE 4.15Å | ||
| 141 | G | 96.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 77.9 Ų | 77.9 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | trans | 72.8 | -172 | -162.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S139 T152 | S139-G141 PolarHBondContact O-N 3.04Å; S139-G141 PolarHBondContact OG-N 3.27Å; G141-T152 WeakPolarHBondContact O-CB 3.49Å; G141-T152 PolarHBondContact O-OG1 2.97Å | ||
| 142 | L | 97.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 70.7 Ų | 70.7 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | trans | -83.9 | 125.2 | -177.7 | -171.2 | 71.7 | 0 | 0 | 0 | 110.8 | F117 G120 F150 | F117-L142 HydrophobicContact CE2-CD1 3.84Å; F117-L142 HydrophobicContact CZ-CD1 3.74Å; G120-L142 WeakPolarHBondContact O-CD1 3.24Å; L142-F150 HydrophobicContact CD1-CB 3.66Å; L142-F150 HydrophobicContact CD1-CD1 3.82Å; L142-F150 HydrophobicContact CD1-CG 3.94Å; L142-F150 HydrophobicContact CD2-CD1 3.58Å; L142-F150 HydrophobicContact CD2-CE1 3.68Å; L142-F150 HydrophobicContact CD2-CG 4.33Å; L142-F150 HydrophobicContact CG-CB 4.34Å; L142-F150 HydrophobicContact CG-CD1 3.58Å; L142-F150 HydrophobicContact CG-CE1 4.18Å; L142-F150 HydrophobicContact CG-CG 4.23Å | ||
| 143 | I | 98 | Very high | 96.3 | Very high | 62 Ų | 62 | 68.6 Ų | 68.6 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.2 | 178.7 | -59.8 | 165.1 | 0 | 0 | 0 | 108.8 | F150 Q151 | I143-F150 VanDerWaalsContact O-CA 3.27Å; I143-F150 WeakPolarHBondContact O-CA 3.43Å; I143-Q151 HydrophobicContact CB-CG 3.63Å; I143-Q151 WeakPolarHBondContact CB-O 3.2Å; I143-Q151 HydrophobicContact CD1-CG 4.18Å; I143-Q151 HydrophobicContact CG1-CG 4.47Å; I143-Q151 HydrophobicContact CG2-CG 3.84Å; I143-Q151 PolarHBondContact N-O 2.83Å; I143-Q151 PolarHBondContact O-N 3.39Å |
| 144 | Q | 97.4 | Very high | 96.4 | Very high | 155 Ų | 155 | 66.6 Ų | 66.6 | 72% | 0.724 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.1 | 175.7 | -73.8 | -179.5 | 29.5 | 0 | 0 | 110.6 | F150 | Q144-F150 HydrophobicContact CG-CD1 3.73Å; Q144-F150 HydrophobicContact CG-CE1 3.41Å; Q144-F150 VanDerWaalsContact CG-CE1 3.41Å; Q144-F150 HydrophobicContact CG-CZ 4.42Å |
| 145 | N | 96.7 | Very high | 96.4 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | trans | -81.5 | -19.1 | -176.9 | -67 | -20 | 0 | 0 | 0 | 113.5 | N115 D147 T149 Q151 | N115-N145 PolarHBondContact OD1-ND2 3.26Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 VanDerWaalsContact CB-OD1 3.24Å; N145-D147 WeakPolarHBondContact CB-OD1 3.49Å; N145-T149 WeakPolarHBondContact CB-O 3.38Å; N145-T149 PolarHBondContact N-O 2.73Å; N145-T149 VanDerWaalsContact N-O 3.12Å; N145-T149 PolarHBondContact ND2-OG1 2.76Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.42Å; N145-Q151 PolarHBondContact OD1-NE2 2.7Å | ||
| 146 | G | 96.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 85.3 | -2.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 147 | D | 96.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -110.6 | 21.3 | 178.4 | 68.8 | -6.8 | 0 | 0 | 0 | 113 | N145 T149 | N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 VanDerWaalsContact CB-OD1 3.24Å; N145-D147 WeakPolarHBondContact CB-OD1 3.49Å; D147-T149 VanDerWaalsContact C-N 3.28Å; D147-T149 PolarHBondContact O-N 2.98Å; D147-T149 WeakPolarHBondContact OD1-CB 3.38Å; D147-T149 PolarHBondContact OD1-N 2.85Å; D147-T149 PolarHBondContact OD1-OG1 3.46Å; D147-T149 PolarHBondContact OD2-OG1 2.84Å |
| 148 | W | 94.9 | Very high | 96.1 | Very high | 143 Ų | 143 | 58 Ų | 58 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 68.1 | 17.8 | -171.9 | -59.6 | 71.7 | 0 | 0 | 0 | 115.4 | T85 Y118 | T85-W148 HydrophobicContact CG2-CH2 4.13Å; T85-W148 HydrophobicContact CG2-CZ3 3.95Å; Y118-W148 WeakPolarHBondContact CD2-O 3.18Å; Y118-W148 HydrophobicContact CE2-CE3 4.44Å |
| 149 | T | 97.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | trans | -117.2 | 164.6 | 168.6 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | F117 N145 D147 | F117-T149 WeakPolarHBondContact O-CA 3.46Å; N145-T149 WeakPolarHBondContact CB-O 3.38Å; N145-T149 PolarHBondContact N-O 2.73Å; N145-T149 VanDerWaalsContact N-O 3.12Å; N145-T149 PolarHBondContact ND2-OG1 2.76Å; D147-T149 VanDerWaalsContact C-N 3.28Å; D147-T149 PolarHBondContact O-N 2.98Å; D147-T149 WeakPolarHBondContact OD1-CB 3.38Å; D147-T149 PolarHBondContact OD1-N 2.85Å; D147-T149 PolarHBondContact OD1-OG1 3.46Å; D147-T149 PolarHBondContact OD2-OG1 2.84Å | ||
| 150 | F | 98.4 | Very high | 95 | Very high | 29 Ų | 29 | 56 Ų | 56 | 13% | 0.127 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 160.3 | 177.4 | -61.1 | -91.3 | 0 | 0 | 0 | 110.9 | G116 F117 Y118 G120 L142 I143 Q144 | G116-F150 PolarHBondContact N-O 2.84Å; F117-F150 VanDerWaalsContact CD1-O 3.31Å; F117-F150 WeakPolarHBondContact CD1-O 3.44Å; F117-F150 HydrophobicContact CD2-CB 4.11Å; F117-F150 HydrophobicContact CE1-CB 4.32Å; F117-F150 WeakPolarHBondContact CE1-O 3.09Å; F117-F150 HydrophobicContact CE2-CB 3.68Å; F117-F150 HydrophobicContact CZ-CB 3.8Å; F117-F150 PolarHBondContact N-O 2.92Å; F117-F150 PolarHBondContact O-N 2.89Å; Y118-F150 HydrophobicContact CD2-CD2 4.12Å; Y118-F150 AromaticContact CD2-CE2 3.59Å; Y118-F150 HydrophobicContact CD2-CE2 3.59Å; Y118-F150 AromaticContact CE2-CE2 3.98Å; Y118-F150 HydrophobicContact CE2-CE2 3.98Å; G120-F150 VanDerWaalsContact N-CE2 3.29Å; L142-F150 HydrophobicContact CD1-CB 3.66Å; L142-F150 HydrophobicContact CD1-CD1 3.82Å; L142-F150 HydrophobicContact CD1-CG 3.94Å; L142-F150 HydrophobicContact CD2-CD1 3.58Å; L142-F150 HydrophobicContact CD2-CE1 3.68Å; L142-F150 HydrophobicContact CD2-CG 4.33Å; L142-F150 HydrophobicContact CG-CB 4.34Å; L142-F150 HydrophobicContact CG-CD1 3.58Å; L142-F150 HydrophobicContact CG-CE1 4.18Å; L142-F150 HydrophobicContact CG-CG 4.23Å; I143-F150 VanDerWaalsContact O-CA 3.27Å; I143-F150 WeakPolarHBondContact O-CA 3.43Å; Q144-F150 HydrophobicContact CG-CD1 3.73Å; Q144-F150 HydrophobicContact CG-CE1 3.41Å; Q144-F150 VanDerWaalsContact CG-CE1 3.41Å; Q144-F150 HydrophobicContact CG-CZ 4.42Å |
| 151 | Q | 98.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 61.2 Ų | 61.2 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 157.8 | 169.7 | 69.8 | -179.3 | -58.8 | 0 | 0 | 111.4 | V114 N115 I143 N145 | V114-Q151 CarbonylContact O-C 3.46Å; V114-Q151 VanDerWaalsContact O-CA 3.25Å; V114-Q151 WeakPolarHBondContact O-CA 3.38Å; N115-Q151 HydrophobicContact CB-CB 4.29Å; N115-Q151 WeakPolarHBondContact OD1-CB 3.39Å; I143-Q151 HydrophobicContact CB-CG 3.63Å; I143-Q151 WeakPolarHBondContact CB-O 3.2Å; I143-Q151 HydrophobicContact CD1-CG 4.18Å; I143-Q151 HydrophobicContact CG1-CG 4.47Å; I143-Q151 HydrophobicContact CG2-CG 3.84Å; I143-Q151 PolarHBondContact N-O 2.83Å; I143-Q151 PolarHBondContact O-N 3.39Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.42Å; N145-Q151 PolarHBondContact OD1-NE2 2.7Å |
| 152 | T | 98.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 146.2 | 170.4 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | V114 F117 I122 V124 S139 G141 | V114-T152 HydrophobicContact CB-CG2 4.06Å; V114-T152 PolarHBondContact N-O 3.08Å; V114-T152 PolarHBondContact O-N 3.39Å; F117-T152 HydrophobicContact CE1-CG2 4.32Å; F117-T152 HydrophobicContact CZ-CG2 4.25Å; I122-T152 HydrophobicContact CG2-CG2 4.37Å; V124-T152 HydrophobicContact CG2-CG2 4.27Å; S139-T152 PolarHBondContact OG-OG1 3.24Å; G141-T152 WeakPolarHBondContact O-CB 3.49Å; G141-T152 PolarHBondContact O-OG1 2.97Å |
| 153 | L | 97.7 | Very high | 93 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 126.1 | 171.8 | -53.7 | 177.3 | 0 | 0 | 0 | 108.3 | V111 S113 S139 T140 | V111-L153 HydrophobicContact CG1-CB 4.4Å; V111-L153 HydrophobicContact CG1-CD2 4.29Å; S113-L153 WeakPolarHBondContact OG-CD2 3.42Å; S139-L153 WeakPolarHBondContact CA-O 3.01Å; T140-L153 HydrophobicContact CG2-CB 3.79Å; T140-L153 HydrophobicContact CG2-CD1 4.21Å; T140-L153 HydrophobicContact CG2-CG 4.25Å; T140-L153 PolarHBondContact N-O 2.64Å; T140-L153 PolarHBondContact OG1-N 2.76Å |
| 154 | V | 97.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.4 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | C112 V124 W126 V137 | C112-V154 WeakPolarHBondContact CB-O 3.04Å; C112-V154 PolarHBondContact N-O 2.94Å; C112-V154 PolarHBondContact O-N 3.47Å; V124-V154 HydrophobicContact CB-CB 4.4Å; V124-V154 HydrophobicContact CB-CG2 3.72Å; V124-V154 HydrophobicContact CG1-CB 3.82Å; V124-V154 HydrophobicContact CG1-CG1 4.3Å; V124-V154 HydrophobicContact CG1-CG2 3.64Å; V124-V154 HydrophobicContact CG2-CG2 4.3Å; W126-V154 PolarHBondContact NE1-O 3.12Å; V137-V154 HydrophobicContact CG1-CG1 3.57Å |
| 155 | M | 95.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 20% | 0.197 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.4 | -172 | -60.1 | 166.7 | -75.7 | 0 | 0 | 109.4 | L109 L110 V111 V137 V138 T140 | L109-M155 HydrophobicContact CD1-SD 4.47Å; L110-M155 CarbonylContact O-C 3.54Å; L110-M155 VanDerWaalsContact O-CA 3.29Å; L110-M155 WeakPolarHBondContact O-CA 3.45Å; V111-M155 HydrophobicContact CG1-CG 4.28Å; V111-M155 HydrophobicContact CG2-CG 4.21Å; V137-M155 CarbonylContact C-O 3.51Å; V137-M155 VanDerWaalsContact CA-O 3.25Å; V137-M155 WeakPolarHBondContact CA-O 3.27Å; V138-M155 HydrophobicContact CB-CE 4.28Å; V138-M155 HydrophobicContact CG1-CE 4.07Å; V138-M155 PolarHBondContact N-O 3.35Å; V138-M155 PolarHBondContact O-N 2.95Å; T140-M155 HydrophobicContact CG2-CE 4.15Å |
| 156 | L | 94.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119 | 172.6 | 172.1 | 64.5 | 0 | 0 | 0 | 109 | L110 W126 E133 T135 V137 T158 Y166 | L110-L156 HydrophobicContact CB-CB 4.43Å; L110-L156 PolarHBondContact N-O 3.1Å; L110-L156 PolarHBondContact O-N 3.23Å; W126-L156 HydrophobicContact CB-CD2 4.43Å; W126-L156 HydrophobicContact CD2-CB 4.06Å; W126-L156 HydrophobicContact CD2-CD2 4.23Å; W126-L156 HydrophobicContact CE3-CD2 4.32Å; W126-L156 HydrophobicContact CG-CB 4.06Å; W126-L156 HydrophobicContact CG-CD2 4.31Å; W126-L156 HydrophobicContact CZ2-CB 4.41Å; E133-L156 HydrophobicContact CG-CD1 3.64Å; E133-L156 HydrophobicContact CG-CD2 4.4Å; T135-L156 WeakPolarHBondContact O-CD1 3.44Å; V137-L156 HydrophobicContact CG2-CD1 3.76Å; L156-T158 HydrophobicContact CD2-CG2 4.19Å; L156-T158 HydrophobicContact CG-CG2 4.11Å; L156-T158 PolarHBondContact O-N 3.31Å; L156-Y166 HydrophobicContact CD2-CD1 3.68Å; L156-Y166 HydrophobicContact CD2-CE1 3.87Å |
| 157 | E | 91.8 | Very high | 92.5 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112 | 172.1 | -168.8 | -178.5 | 166.8 | 0 | 0 | 110.6 | H107 L109 G136 | H107-E157 HydrophobicContact CB-CG 4.23Å; H107-E157 IonicContact CE1-OE1 3.35Å; H107-E157 PolarHBondContact CE1-OE1 3.36Å; H107-E157 IonicContact CG-OE1 3.34Å; H107-E157 IonicContact ND1-OE1 2.83Å; H107-E157 PolarHBondContact ND1-OE1 2.89Å; L109-E157 HydrophobicContact CD2-CB 3.98Å; L109-E157 HydrophobicContact CD2-CG 4.3Å; G136-E157 PolarHBondContact O-N 3.02Å |
| 158 | T | 87.3 | Confident | 92.6 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 10% | 0.104 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 171.6 | -178.4 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | N108 L110 L156 P160 Y166 | N108-T158 CarbonylContact C-O 3.46Å; N108-T158 WeakPolarHBondContact CA-O 3.43Å; N108-T158 PolarHBondContact N-O 2.88Å; N108-T158 CarbonylContact O-C 3.59Å; N108-T158 PolarHBondContact O-N 3.04Å; N108-T158 VanDerWaalsContact O-N 3.13Å; L110-T158 HydrophobicContact CD1-CG2 3.94Å; L110-T158 HydrophobicContact CG-CG2 4.17Å; L156-T158 HydrophobicContact CD2-CG2 4.19Å; L156-T158 HydrophobicContact CG-CG2 4.11Å; L156-T158 PolarHBondContact O-N 3.31Å; T158-P160 HydrophobicContact CG2-CG 4.08Å; T158-Y166 HydrophobicContact CG2-CE1 3.89Å; T158-Y166 PolarHBondContact OG1-OH 2.9Å; T158-Y166 VanDerWaalsContact OG1-OH 3.14Å |
| 159 | V | 84.4 | Confident | 92.7 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | trans | -120.6 | 91.8 | 169.2 | -173.7 | 0 | 0 | 0 | 0 | 107.1 | H106 R161 | H106-V159 VanDerWaalsContact O-CG2 3.32Å; H106-V159 WeakPolarHBondContact O-CG2 3.38Å; V159-R161 PolarHBondContact O-N 3.43Å | ||
| 160 | P | 83 | Confident | 92.8 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 128.5 | -172.3 | -22.8 | 31.8 | 0 | 0 | 0 | 112.4 | N108 L110 T158 Y166 W183 A185 | N108-P160 HydrophobicContact CB-CG 4.44Å; L110-P160 HydrophobicContact CD1-CG 4.33Å; L110-P160 HydrophobicContact CG-CG 4.44Å; T158-P160 HydrophobicContact CG2-CG 4.08Å; P160-Y166 HydrophobicContact CB-CE2 3.95Å; P160-Y166 HydrophobicContact CG-CE2 4.47Å; P160-W183 HydrophobicContact CB-CH2 3.75Å; P160-W183 HydrophobicContact CB-CZ3 3.63Å; P160-W183 HydrophobicContact CG-CH2 3.79Å; P160-W183 HydrophobicContact CG-CZ3 3.8Å; P160-A185 HydrophobicContact CB-CB 3.64Å |
| 161 | R | 82.4 | Confident | 92.8 | Very high | 174 Ų | 174 | 41.4 Ų | 41.4 | 66% | 0.657 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -100 | 147.2 | 176.4 | -56.7 | 179.7 | 176.5 | -177.4 | -0.9 | 110.6 | V159 G163 E164 A185 | V159-R161 PolarHBondContact O-N 3.43Å; R161-G163 PolarHBondContact O-N 3.02Å; R161-E164 HydrophobicContact CB-CG 4.08Å; R161-E164 PolarHBondContact N-OE2 2.84Å; R161-E164 VanDerWaalsContact O-CB 3.31Å; R161-E164 WeakPolarHBondContact O-CB 3.5Å; R161-E164 WeakPolarHBondContact O-CG 3.31Å; R161-E164 PolarHBondContact O-N 2.81Å; R161-A185 WeakPolarHBondContact O-CB 3.33Å |
| 162 | S | 82.3 | Confident | 92.8 | Very high | 99 Ų | 99 | 39.2 Ų | 39.2 | 69% | 0.692 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 128.9 | 178.4 | -178 | 0 | 0 | 0 | 0 | 111.3 | ||
| 163 | G | 84.1 | Confident | 92.7 | Very high | 64 Ų | 64 | 42.4 Ų | 42.4 | 66% | 0.66 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | -11.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R161 | R161-G163 PolarHBondContact O-N 3.02Š|
| 164 | E | 90.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 42 Ų | 42 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | trans | -73.4 | 142.8 | 172.8 | -64.3 | 179.9 | 156.7 | 0 | 0 | 111.7 | R128 R161 Y166 A185 | R128-E164 IonicContact CZ-OE1 3.49Å; R128-E164 IonicContact NE-OE1 3.15Å; R128-E164 IonicContact NE-OE2 2.89Å; R128-E164 IonicContact NH2-OE1 2.67Å; R128-E164 PolarHBondContact NH2-OE1 2.77Å; R128-E164 IonicContact NH2-OE2 3.52Å; R161-E164 HydrophobicContact CB-CG 4.08Å; R161-E164 PolarHBondContact N-OE2 2.84Å; R161-E164 VanDerWaalsContact O-CB 3.31Å; R161-E164 WeakPolarHBondContact O-CB 3.5Å; R161-E164 WeakPolarHBondContact O-CG 3.31Å; R161-E164 PolarHBondContact O-N 2.81Å; E164-Y166 HydrophobicContact CB-CD2 4.37Å; E164-Y166 HydrophobicContact CB-CE2 3.68Å; E164-Y166 PolarHBondContact OE2-OH 2.94Å; E164-A185 PolarHBondContact O-N 3Å | ||
| 165 | V | 93.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 12% | 0.121 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.2 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | N129 E182 R184 | N129-V165 PolarHBondContact N-O 2.89Å; N129-V165 PolarHBondContact OD1-N 3.14Å; N129-V165 PolarHBondContact OD1-O 2.84Å; V165-E182 HydrophobicContact CG1-CB 4.31Å; V165-E182 HydrophobicContact CG1-CG 4.22Å; V165-R184 HydrophobicContact CG1-CG 4.33Å; V165-R184 HydrophobicContact CG2-CG 4.2Å |
| 166 | Y | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.7 | 174.6 | -65.6 | -95.5 | 0 | 0 | 0 | 108.4 | L110 F127 R128 L156 T158 P160 E164 E182 W183 | L110-Y166 HydrophobicContact CD1-CD1 3.64Å; L110-Y166 HydrophobicContact CD1-CD2 3.76Å; L110-Y166 HydrophobicContact CD1-CE1 4.11Å; L110-Y166 HydrophobicContact CD1-CE2 4.25Å; L110-Y166 HydrophobicContact CD1-CG 3.43Å; L110-Y166 VanDerWaalsContact CD1-CG 3.43Å; F127-Y166 CarbonylContact O-C 3.5Å; F127-Y166 WeakPolarHBondContact O-CA 3.29Å; R128-Y166 HydrophobicContact CB-CD1 4.32Å; R128-Y166 HydrophobicContact CB-CE1 4.25Å; R128-Y166 HydrophobicContact CG-CD1 4.28Å; R128-Y166 HydrophobicContact CG-CE1 3.86Å; R128-Y166 PolarHBondContact NE-OH 2.91Å; L156-Y166 HydrophobicContact CD2-CD1 3.68Å; L156-Y166 HydrophobicContact CD2-CE1 3.87Å; T158-Y166 HydrophobicContact CG2-CE1 3.89Å; T158-Y166 PolarHBondContact OG1-OH 2.9Å; T158-Y166 VanDerWaalsContact OG1-OH 3.14Å; P160-Y166 HydrophobicContact CB-CE2 3.95Å; P160-Y166 HydrophobicContact CG-CE2 4.47Å; E164-Y166 HydrophobicContact CB-CD2 4.37Å; E164-Y166 HydrophobicContact CB-CE2 3.68Å; E164-Y166 PolarHBondContact OE2-OH 2.94Å; Y166-E182 CarbonylContact O-C 3.46Å; Y166-E182 WeakPolarHBondContact O-CA 3.44Å; Y166-W183 AromaticContact CD2-CE3 3.83Å; Y166-W183 HydrophobicContact CD2-CE3 3.83Å; Y166-W183 AromaticContact CD2-CZ3 3.92Å; Y166-W183 HydrophobicContact CD2-CZ3 3.92Å; Y166-W183 HydrophobicContact CE2-CZ3 4.29Å; Y166-W183 HydrophobicContact CG-CE3 4.41Å; Y166-W183 PolarHBondContact N-O 3.31Å; Y166-W183 PolarHBondContact O-N 2.79Å |
| 167 | T | 97.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.8 | -178.6 | -52 | 0 | 0 | 0 | 0 | 109.4 | W126 F127 T180 V181 E182 | W126-T167 CarbonylContact C-O 3.57Å; F127-T167 PolarHBondContact N-O 2.92Å; F127-T167 PolarHBondContact O-N 2.84Å; T167-T180 HydrophobicContact CG2-CG2 4.08Å; T167-V181 WeakPolarHBondContact CA-O 3.43Å; T167-E182 HydrophobicContact CG2-CG 4.44Å |
| 168 | C | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.8 | 164.1 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | V96 C112 V124 W126 T180 V181 | V96-C168 HydrophobicContact CG2-CB 3.65Å; C112-C168 HydrophobicContact CB-CB 3.62Å; C112-C168 WeakPolarHBondContact CB-SG 3.22Å; C112-C168 WeakPolarHBondContact SG-CB 3.39Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 3.35Å; V124-C168 VanDerWaalsContact CG1-SG 3.57Å; W126-C168 HydrophobicContact CE3-CB 4.38Å; W126-C168 HydrophobicContact CH2-CB 4.32Å; W126-C168 HydrophobicContact CZ3-CB 4.19Å; C168-T180 CarbonylContact O-C 3.58Å; C168-T180 WeakPolarHBondContact O-CA 3.39Å; C168-V181 PolarHBondContact N-O 2.81Å; C168-V181 PolarHBondContact O-N 2.03Å |
| 169 | Q | 98.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129 | 175.8 | -176.3 | 177.6 | 68.9 | 0 | 0 | 109.3 | V124 R125 F127 P178 L179 T180 | V124-Q169 CarbonylContact C-O 3.59Å; V124-Q169 WeakPolarHBondContact CA-O 3.48Å; R125-Q169 PolarHBondContact N-O 3.15Å; R125-Q169 PolarHBondContact O-N 2.82Å; F127-Q169 HydrophobicContact CD2-CB 4.08Å; F127-Q169 HydrophobicContact CE2-CB 3.72Å; F127-Q169 HydrophobicContact CE2-CG 4.41Å; F127-Q169 VanDerWaalsContact CE2-OE1 3.27Å; Q169-P178 HydrophobicContact CG-CB 3.72Å; Q169-L179 CarbonylContact C-O 3.55Å; Q169-L179 WeakPolarHBondContact CA-O 3.39Å; Q169-T180 HydrophobicContact CB-CG2 4.11Å; Q169-T180 HydrophobicContact CG-CG2 3.91Å |
| 170 | V | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.4 | -178.4 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | P92 V94 V114 I122 E123 V124 P178 L179 | P92-V170 HydrophobicContact CG-CG1 4.02Å; V94-V170 HydrophobicContact CG1-CG2 4.22Å; V94-V170 HydrophobicContact CG2-CB 4.33Å; V94-V170 HydrophobicContact CG2-CG2 3.75Å; V114-V170 HydrophobicContact CG1-CG1 4.14Å; V114-V170 HydrophobicContact CG1-CG2 4.42Å; V114-V170 HydrophobicContact CG2-CG2 3.82Å; I122-V170 HydrophobicContact CD1-CG1 3.75Å; I122-V170 HydrophobicContact CG1-CG1 4Å; E123-V170 WeakPolarHBondContact O-CA 3.42Å; V124-V170 HydrophobicContact CG1-CG2 4.23Å; V124-V170 HydrophobicContact CG2-CG1 4.39Å; V124-V170 HydrophobicContact CG2-CG2 4.2Å; V170-P178 WeakPolarHBondContact O-CA 3.39Å; V170-L179 HydrophobicContact CB-CB 4.44Å; V170-L179 PolarHBondContact N-O 3.04Å; V170-L179 PolarHBondContact O-N 3.29Å |
| 171 | E | 98.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.6 | 168.3 | -61.9 | -171.2 | -170.1 | 0 | 0 | 109.1 | I122 E123 R125 P178 | I122-E171 WeakPolarHBondContact CG1-O 3.39Å; E123-E171 HydrophobicContact CB-CB 4.28Å; E123-E171 PolarHBondContact N-O 3.34Å; E123-E171 PolarHBondContact O-N 2.76Å; R125-E171 IonicContact CZ-OE1 3.54Å; R125-E171 IonicContact NH1-OE1 3.46Å; R125-E171 IonicContact NH2-OE1 3.99Å; R125-E171 PolarHBondContact NH2-OE1 3.19Å; E171-P178 HydrophobicContact CG-CB 3.99Å; E171-P178 HydrophobicContact CG-CG 3.99Å |
| 172 | H | 98.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | trans | -148.8 | 141.2 | -179 | 179.3 | -105.3 | 0 | 0 | 0 | 108.8 | V90 P92 F117 Y118 P119 S121 I122 S174 L175 | V90-H172 PolarHBondContact O-CE1 3.25Å; P92-H172 HydrophobicContact CG-CB 4.38Å; F117-H172 AromaticContact CD2-CD2 3.89Å; F117-H172 AromaticContact CD2-NE2 3.81Å; Y118-H172 PolarHBondContact O-CE1 3.27Å; Y118-H172 PolarHBondContact O-NE2 2.85Å; P119-H172 PolarHBondContact O-NE2 3.26Å; S121-H172 PolarHBondContact O-CD2 3.14Å; S121-H172 VanDerWaalsContact O-CD2 3.26Å; I122-H172 HydrophobicContact CD1-CB 4.42Å; I122-H172 HydrophobicContact CG1-CB 4.24Å; H172-S174 PolarHBondContact CE1-OG 2.64Å; H172-S174 VanDerWaalsContact ND1-CB 3.28Å; H172-S174 WeakPolarHBondContact ND1-CB 3.25Å; H172-S174 PolarHBondContact ND1-N 3.29Å; H172-S174 PolarHBondContact ND1-OG 2.97Å; H172-S174 PolarHBondContact O-N 3.47Å; H172-L175 HydrophobicContact CB-CD1 4.05Å; H172-L175 HydrophobicContact CB-CG 4.32Å; H172-L175 WeakPolarHBondContact O-CB 3.49Å; H172-L175 PolarHBondContact O-N 3.15Å | ||
| 173 | P | 97.7 | Very high | 96.3 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 47% | 0.468 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.2 | -176.5 | -28.8 | 36.8 | 0 | 0 | 0 | 116.4 | S121 L175 | S121-P173 WeakPolarHBondContact O-CD 3.49Å; P173-L175 VanDerWaalsContact C-N 3.28Å |
| 174 | S | 97.7 | Very high | 96.5 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.6 | 172 | 76.2 | 0 | 0 | 0 | 0 | 113.5 | Y91 H172 | Y91-S174 VanDerWaalsContact CA-OG 3.27Å; Y91-S174 WeakPolarHBondContact CA-OG 3.25Å; H172-S174 PolarHBondContact CE1-OG 2.64Å; H172-S174 VanDerWaalsContact ND1-CB 3.28Å; H172-S174 WeakPolarHBondContact ND1-CB 3.25Å; H172-S174 PolarHBondContact ND1-N 3.29Å; H172-S174 PolarHBondContact ND1-OG 2.97Å; H172-S174 PolarHBondContact O-N 3.47Å |
| 175 | L | 97.8 | Very high | 96 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | trans | -104.8 | 138.4 | -174.5 | -59.5 | 172.2 | 0 | 0 | 0 | 109.3 | P92 H172 P173 S177 L179 | P92-L175 HydrophobicContact CG-CD1 4.09Å; H172-L175 HydrophobicContact CB-CD1 4.05Å; H172-L175 HydrophobicContact CB-CG 4.32Å; H172-L175 WeakPolarHBondContact O-CB 3.49Å; H172-L175 PolarHBondContact O-N 3.15Å; P173-L175 VanDerWaalsContact C-N 3.28Å; L175-S177 WeakPolarHBondContact CB-O 3.45Å; L175-L179 HydrophobicContact CD1-CB 3.75Å | ||
| 176 | T | 97.1 | Very high | 94.9 | Very high | 153 Ų | 153 | 60.2 Ų | 60.2 | 94% | 0.939 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -82.2 | -23.5 | 175.3 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 177 | S | 97.1 | Very high | 93.1 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 56% | 0.559 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -141.9 | 157.8 | 172.9 | 62.3 | 0 | 0 | 0 | 0 | 110 | L175 L179 | L175-S177 WeakPolarHBondContact CB-O 3.45Å; S177-L179 PolarHBondContact O-N 2.79Å |
| 178 | P | 97.5 | Very high | 91.2 | Very high | 55 Ų | 55 | 69.5 Ų | 69.5 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | trans | -57.2 | 132.8 | 178.7 | -22.8 | 32.8 | 0 | 0 | 0 | 111.7 | Q169 V170 E171 | Q169-P178 HydrophobicContact CG-CB 3.72Å; V170-P178 WeakPolarHBondContact O-CA 3.39Å; E171-P178 HydrophobicContact CG-CB 3.99Å; E171-P178 HydrophobicContact CG-CG 3.99Å | ||
| 179 | L | 98.1 | Very high | 89 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 31% | 0.309 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124 | 175 | 174.8 | 60.9 | 0 | 0 | 0 | 109 | V94 Q169 V170 L175 S177 | V94-L179 HydrophobicContact CB-CD2 4.14Å; V94-L179 HydrophobicContact CG2-CD2 3.51Å; V94-L179 HydrophobicContact CG2-CG 4.34Å; Q169-L179 CarbonylContact C-O 3.55Å; Q169-L179 WeakPolarHBondContact CA-O 3.39Å; V170-L179 HydrophobicContact CB-CB 4.44Å; V170-L179 PolarHBondContact N-O 3.04Å; V170-L179 PolarHBondContact O-N 3.29Å; L175-L179 HydrophobicContact CD1-CB 3.75Å; S177-L179 PolarHBondContact O-N 2.79Å |
| 180 | T | 97.8 | Very high | 86.9 | Confident | 77 Ų | 77 | 73 Ų | 73 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.3 | 178.9 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | T167 C168 Q169 | T167-T180 HydrophobicContact CG2-CG2 4.08Å; C168-T180 CarbonylContact O-C 3.58Å; C168-T180 WeakPolarHBondContact O-CA 3.39Å; Q169-T180 HydrophobicContact CB-CG2 4.11Å; Q169-T180 HydrophobicContact CG-CG2 3.91Å |
| 181 | V | 97.8 | Very high | 84.9 | Confident | 37 Ų | 37 | 78.7 Ų | 78.7 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 116.4 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | V94 V96 T167 C168 | V94-V181 HydrophobicContact CB-CG2 3.83Å; V94-V181 HydrophobicContact CG1-CB 4.14Å; V94-V181 HydrophobicContact CG1-CG2 3.59Å; V96-V181 HydrophobicContact CB-CG1 4.09Å; V96-V181 HydrophobicContact CG2-CB 3.95Å; V96-V181 HydrophobicContact CG2-CG1 3.68Å; T167-V181 WeakPolarHBondContact CA-O 3.43Å; C168-V181 PolarHBondContact N-O 2.81Å; C168-V181 PolarHBondContact O-N 2.03Å |
| 182 | E | 96.2 | Very high | 82.8 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142.2 | 177 | -65.9 | -167.8 | 175 | 0 | 0 | 111.8 | V165 Y166 T167 R184 | V165-E182 HydrophobicContact CG1-CB 4.31Å; V165-E182 HydrophobicContact CG1-CG 4.22Å; Y166-E182 CarbonylContact O-C 3.46Å; Y166-E182 WeakPolarHBondContact O-CA 3.44Å; T167-E182 HydrophobicContact CG2-CG 4.44Å; E182-R184 IonicContact OE2-CZ 3.87Å; E182-R184 IonicContact OE2-NE 3.5Å; E182-R184 IonicContact OE2-NH2 3.64Å; E182-R184 PolarHBondContact OE2-NH2 2.77Å |
| 183 | W | 93.8 | Very high | 80.8 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.9 | 168.4 | -177.3 | 94.3 | 0 | 0 | 0 | 109.5 | V96 P98 L110 P160 Y166 A185 | V96-W183 HydrophobicContact CB-CB 4.22Å; V96-W183 HydrophobicContact CG1-CB 3.47Å; V96-W183 VanDerWaalsContact CG1-CB 3.47Å; V96-W183 HydrophobicContact CG1-CG 3.91Å; P98-W183 HydrophobicContact CB-CZ2 4.26Å; P98-W183 HydrophobicContact CG-CZ2 4.16Å; L110-W183 HydrophobicContact CD1-CD2 4.46Å; L110-W183 HydrophobicContact CD1-CE3 3.73Å; L110-W183 HydrophobicContact CD1-CZ3 3.88Å; L110-W183 HydrophobicContact CD2-CD2 3.66Å; L110-W183 HydrophobicContact CD2-CE3 3.64Å; L110-W183 HydrophobicContact CD2-CG 4.35Å; L110-W183 HydrophobicContact CD2-CH2 3.87Å; L110-W183 HydrophobicContact CD2-CZ2 3.88Å; L110-W183 HydrophobicContact CD2-CZ3 3.75Å; L110-W183 HydrophobicContact CG-CE3 4.36Å; L110-W183 HydrophobicContact CG-CZ3 4.39Å; P160-W183 HydrophobicContact CB-CH2 3.75Å; P160-W183 HydrophobicContact CB-CZ3 3.63Å; P160-W183 HydrophobicContact CG-CH2 3.79Å; P160-W183 HydrophobicContact CG-CZ3 3.8Å; Y166-W183 AromaticContact CD2-CE3 3.83Å; Y166-W183 HydrophobicContact CD2-CE3 3.83Å; Y166-W183 AromaticContact CD2-CZ3 3.92Å; Y166-W183 HydrophobicContact CD2-CZ3 3.92Å; Y166-W183 HydrophobicContact CE2-CZ3 4.29Å; Y166-W183 HydrophobicContact CG-CE3 4.41Å; Y166-W183 PolarHBondContact N-O 3.31Å; Y166-W183 PolarHBondContact O-N 2.79Å; W183-A185 HydrophobicContact CH2-CB 4.03Å; W183-A185 HydrophobicContact CZ3-CB 3.86Å |
| 184 | R | 89.8 | Confident | 78.8 | Confident | 144 Ų | 144 | 88.5 Ų | 88.5 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.3 | -177.8 | -64.1 | -175.9 | -178.2 | -110.9 | -7.5 | 110.1 | V165 E182 R186 | V165-R184 HydrophobicContact CG1-CG 4.33Å; V165-R184 HydrophobicContact CG2-CG 4.2Å; E182-R184 IonicContact OE2-CZ 3.87Å; E182-R184 IonicContact OE2-NE 3.5Å; E182-R184 IonicContact OE2-NH2 3.64Å; E182-R184 PolarHBondContact OE2-NH2 2.77Å; R184-R186 PolarHBondContact O-N 3.44Å |
| 185 | A | 78.9 | Confident | 76.9 | Confident | 12 Ų | 12 | 93.5 Ų | 93.5 | 10% | 0.099 | 49% | 0.49 | C | S | . | . | trans | -65.9 | 106 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P160 R161 E164 W183 | P160-A185 HydrophobicContact CB-CB 3.64Å; R161-A185 WeakPolarHBondContact O-CB 3.33Å; E164-A185 PolarHBondContact O-N 3Å; W183-A185 HydrophobicContact CH2-CB 4.03Å; W183-A185 HydrophobicContact CZ3-CB 3.86Å | ||
| 186 | R | 70 | Confident | 75.1 | Confident | 197 Ų | 197 | 95.3 Ų | 95.3 | 74% | 0.743 | 51% | 0.507 | S | S | * | . | trans | -86.9 | 141.1 | 171.2 | -70.1 | -176.9 | -179.4 | -178.7 | 0.9 | 109.3 | R184 | R184-R186 PolarHBondContact O-N 3.44Š| ||
| 187 | S | 57.3 | Low | 73.4 | Confident | 51 Ų | 51 | 90.2 Ų | 90.2 | 36% | 0.357 | 48% | 0.484 | S | S | . | . | trans | -65.4 | 134.1 | 167.7 | 167.6 | 0 | 0 | 0 | 0 | 110.1 | S189 A190 | S187-S189 PolarHBondContact O-N 2.95Å; S187-S189 VanDerWaalsContact O-N 3.16Å; S187-S189 VanDerWaalsContact OG-CB 3.3Å; S187-S189 WeakPolarHBondContact OG-CB 3.28Å; S187-S189 PolarHBondContact OG-N 2.98Å; S187-S189 VanDerWaalsContact OG-N 3.13Å; S187-A190 WeakPolarHBondContact O-CB 3.35Å; S187-A190 PolarHBondContact O-N 3.47Å | ||
| 188 | E | 57.4 | Low | 72.2 | Confident | 162 Ų | 162 | 90.3 Ų | 90.3 | 76% | 0.757 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -53.4 | -31.6 | 169.8 | -71.1 | -171.8 | 155.6 | 0 | 0 | 111.6 | A190 Q191 S192 | E188-A190 VanDerWaalsContact C-N 3.3Å; E188-A190 PolarHBondContact O-N 3.21Å; E188-Q191 PolarHBondContact O-N 2.9Å; E188-S192 PolarHBondContact O-N 3.47Å |
| 189 | S | 53.3 | Low | 70.6 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | S187 K193 | S187-S189 PolarHBondContact O-N 2.95Å; S187-S189 VanDerWaalsContact O-N 3.16Å; S187-S189 VanDerWaalsContact OG-CB 3.3Å; S187-S189 WeakPolarHBondContact OG-CB 3.28Å; S187-S189 PolarHBondContact OG-N 2.98Å; S187-S189 VanDerWaalsContact OG-N 3.13Å; S189-K193 WeakPolarHBondContact O-CB 3.5Å; S189-K193 WeakPolarHBondContact O-CG 3.3Å; S189-K193 PolarHBondContact O-N 3.39Å; S189-K193 WeakPolarHBondContact OG-CE 3.23Å |
| 190 | A | 53.5 | Low | 69.4 | Low | 55 Ų | 55 | 88.7 Ų | 88.7 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.6 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S187 E188 M194 | S187-A190 WeakPolarHBondContact O-CB 3.35Å; S187-A190 PolarHBondContact O-N 3.47Å; E188-A190 VanDerWaalsContact C-N 3.3Å; E188-A190 PolarHBondContact O-N 3.21Å; A190-M194 PolarHBondContact O-N 3.22Å |
| 191 | Q | 56.6 | Low | 68.5 | Low | 120 Ų | 120 | 92 Ų | 92 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 172.8 | -95.1 | 175.6 | -35.9 | 0 | 0 | 112 | E188 M194 L195 | E188-Q191 PolarHBondContact O-N 2.9Å; Q191-M194 PolarHBondContact O-N 3.12Å; Q191-L195 PolarHBondContact O-N 2.95Å |
| 192 | S | 55.6 | Low | 67.6 | Low | 74 Ų | 74 | 94 Ų | 94 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | 172.3 | 0 | 0 | 0 | 0 | 112.4 | E188 M194 L195 S196 | E188-S192 PolarHBondContact O-N 3.47Å; S192-M194 VanDerWaalsContact C-N 3.33Å; S192-M194 PolarHBondContact O-N 3.22Å; S192-L195 PolarHBondContact O-N 3.38Å; S192-S196 PolarHBondContact O-N 3.18Å; S192-S196 VanDerWaalsContact O-N 3.09Å |
| 193 | K | 55.3 | Low | 66.9 | Low | 147 Ų | 147 | 93.4 Ų | 93.4 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -36.1 | 178.2 | -76.6 | 174.5 | 179 | 177.9 | 0 | 112.9 | S189 G197 | S189-K193 WeakPolarHBondContact O-CB 3.5Å; S189-K193 WeakPolarHBondContact O-CG 3.3Å; S189-K193 PolarHBondContact O-N 3.39Å; S189-K193 WeakPolarHBondContact OG-CE 3.23Å; K193-G197 PolarHBondContact O-N 2.86Å |
| 194 | M | 55.8 | Low | 66.3 | Low | 137 Ų | 137 | 92.6 Ų | 92.6 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.4 | -39.1 | 177.3 | -160.3 | -174.8 | 160.6 | 0 | 0 | 111.8 | A190 Q191 S192 G197 V198 | A190-M194 PolarHBondContact O-N 3.22Å; Q191-M194 PolarHBondContact O-N 3.12Å; S192-M194 VanDerWaalsContact C-N 3.33Å; S192-M194 PolarHBondContact O-N 3.22Å; M194-G197 PolarHBondContact O-N 2.94Å; M194-V198 WeakPolarHBondContact O-CG2 3.41Å; M194-V198 PolarHBondContact O-N 2.9Å; M194-V198 VanDerWaalsContact O-N 3.09Å |
| 195 | L | 57.7 | Low | 66.1 | Low | 140 Ų | 140 | 90.3 Ų | 90.3 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 174.8 | -107.8 | 92.4 | 0 | 0 | 0 | 112.7 | Q191 S192 G197 V198 G199 | Q191-L195 PolarHBondContact O-N 2.95Å; S192-L195 PolarHBondContact O-N 3.38Å; L195-G197 VanDerWaalsContact C-N 3.32Å; L195-G197 PolarHBondContact O-N 2.98Å; L195-V198 PolarHBondContact O-N 2.81Å; L195-G199 PolarHBondContact O-N 3.14Å; L195-G199 VanDerWaalsContact O-N 3.07Å |
| 196 | S | 60.4 | Low | 66.4 | Low | 87 Ų | 87 | 95.2 Ų | 95.2 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -35.6 | 174.5 | -73.2 | 0 | 0 | 0 | 0 | 112.5 | S192 G199 G200 | S192-S196 PolarHBondContact O-N 3.18Å; S192-S196 VanDerWaalsContact O-N 3.09Å; S196-G199 PolarHBondContact O-N 3.28Å; S196-G200 PolarHBondContact O-N 2.64Å |
| 197 | G | 62.7 | Low | 67.1 | Low | 45 Ų | 45 | 93.4 Ų | 93.4 | 46% | 0.464 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K193 M194 L195 G200 F201 | K193-G197 PolarHBondContact O-N 2.86Å; M194-G197 PolarHBondContact O-N 2.94Å; L195-G197 VanDerWaalsContact C-N 3.32Å; L195-G197 PolarHBondContact O-N 2.98Å; G197-G200 PolarHBondContact O-N 3.39Å; G197-F201 PolarHBondContact O-N 3.41Å |
| 198 | V | 70.4 | Confident | 68.5 | Low | 83 Ų | 83 | 96.2 Ų | 96.2 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -42 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | M194 L195 G200 F201 V202 | M194-V198 WeakPolarHBondContact O-CG2 3.41Å; M194-V198 PolarHBondContact O-N 2.9Å; M194-V198 VanDerWaalsContact O-N 3.09Å; L195-V198 PolarHBondContact O-N 2.81Å; V198-G200 PolarHBondContact O-N 3.05Å; V198-F201 PolarHBondContact O-N 2.95Å; V198-V202 WeakPolarHBondContact O-CG2 3.33Å; V198-V202 PolarHBondContact O-N 3.03Å; V198-V202 VanDerWaalsContact O-N 3.08Å |
| 199 | G | 64.9 | Low | 69.9 | Low | 36 Ų | 36 | 90.4 Ų | 90.4 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L195 S196 L203 | L195-G199 PolarHBondContact O-N 3.14Å; L195-G199 VanDerWaalsContact O-N 3.07Å; S196-G199 PolarHBondContact O-N 3.28Å; G199-L203 WeakPolarHBondContact O-CG 3.39Å; G199-L203 PolarHBondContact O-N 3.38Å |
| 200 | G | 73.3 | Confident | 71.5 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S196 G197 V198 G204 | S196-G200 PolarHBondContact O-N 2.64Å; G197-G200 PolarHBondContact O-N 3.39Å; V198-G200 PolarHBondContact O-N 3.05Å; G200-G204 PolarHBondContact O-N 3.23Å |
| 201 | F | 77 | Confident | 73 | Confident | 146 Ų | 146 | 89.5 Ų | 89.5 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.6 | -41.1 | 179.5 | -163.3 | -99.8 | 0 | 0 | 0 | 112.5 | G197 V198 G204 L205 | G197-F201 PolarHBondContact O-N 3.41Å; V198-F201 PolarHBondContact O-N 2.95Å; F201-G204 PolarHBondContact O-N 3.1Å; F201-L205 HydrophobicContact CD1-CD1 3.83Å; F201-L205 HydrophobicContact CD1-CG 4.34Å; F201-L205 HydrophobicContact CE1-CD1 3.63Å; F201-L205 HydrophobicContact CE1-CG 4.17Å; F201-L205 WeakPolarHBondContact O-CG 3.28Å; F201-L205 PolarHBondContact O-N 3.43Å |
| 202 | V | 80.4 | Confident | 74.4 | Confident | 78 Ų | 78 | 88.2 Ų | 88.2 | 47% | 0.473 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111 | V198 G204 L205 L206 | V198-V202 WeakPolarHBondContact O-CG2 3.33Å; V198-V202 PolarHBondContact O-N 3.03Å; V198-V202 VanDerWaalsContact O-N 3.08Å; V202-G204 VanDerWaalsContact C-N 3.35Å; V202-G204 PolarHBondContact O-N 2.94Å; V202-L205 PolarHBondContact O-N 2.9Å; V202-L206 HydrophobicContact CG1-CD1 4.38Å; V202-L206 WeakPolarHBondContact O-CG 3.26Å; V202-L206 PolarHBondContact O-N 3.42Å; V202-L206 VanDerWaalsContact O-N 3.1Å |
| 203 | L | 80.1 | Confident | 75.7 | Confident | 99 Ų | 99 | 91.5 Ų | 91.5 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.8 | -75.6 | 166.6 | 0 | 0 | 0 | 111.5 | G199 L205 L206 F207 | G199-L203 WeakPolarHBondContact O-CG 3.39Å; G199-L203 PolarHBondContact O-N 3.38Å; L203-L205 PolarHBondContact O-N 3.47Å; L203-L206 PolarHBondContact O-N 3.12Å; L203-F207 WeakPolarHBondContact O-CD2 3.49Å; L203-F207 PolarHBondContact O-N 3.42Å; L203-F207 VanDerWaalsContact O-N 3.09Å |
| 204 | G | 81.4 | Confident | 77 | Confident | 32 Ų | 32 | 89.2 Ų | 89.2 | 33% | 0.33 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G200 F201 V202 F207 L208 | G200-G204 PolarHBondContact O-N 3.23Å; F201-G204 PolarHBondContact O-N 3.1Å; V202-G204 VanDerWaalsContact C-N 3.35Å; V202-G204 PolarHBondContact O-N 2.94Å; G204-F207 PolarHBondContact O-N 2.83Å; G204-L208 WeakPolarHBondContact O-CG 3.39Å; G204-L208 PolarHBondContact O-N 3.4Å |
| 205 | L | 86.8 | Confident | 78.3 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 176.4 | -73.8 | 174.3 | 0 | 0 | 0 | 112.8 | F201 V202 L203 L208 G209 | F201-L205 HydrophobicContact CD1-CD1 3.83Å; F201-L205 HydrophobicContact CD1-CG 4.34Å; F201-L205 HydrophobicContact CE1-CD1 3.63Å; F201-L205 HydrophobicContact CE1-CG 4.17Å; F201-L205 WeakPolarHBondContact O-CG 3.28Å; F201-L205 PolarHBondContact O-N 3.43Å; V202-L205 PolarHBondContact O-N 2.9Å; L203-L205 PolarHBondContact O-N 3.47Å; L205-L208 PolarHBondContact O-N 3.25Å; L205-G209 PolarHBondContact O-N 3.29Å |
| 206 | L | 85.1 | Confident | 79.3 | Confident | 115 Ų | 115 | 88.2 Ų | 88.2 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -43.7 | 175.2 | -73 | 169.8 | 0 | 0 | 0 | 111.7 | V202 L203 G209 A210 | V202-L206 HydrophobicContact CG1-CD1 4.38Å; V202-L206 WeakPolarHBondContact O-CG 3.26Å; V202-L206 PolarHBondContact O-N 3.42Å; V202-L206 VanDerWaalsContact O-N 3.1Å; L203-L206 PolarHBondContact O-N 3.12Å; L206-G209 PolarHBondContact O-N 3.28Å; L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 2.64Å |
| 207 | F | 84.9 | Confident | 80 | Confident | 158 Ų | 158 | 92.4 Ų | 92.4 | 69% | 0.693 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.3 | -40.6 | 176.5 | -77.3 | -66.1 | 0 | 0 | 0 | 112.5 | L203 G204 A210 G211 | L203-F207 WeakPolarHBondContact O-CD2 3.49Å; L203-F207 PolarHBondContact O-N 3.42Å; L203-F207 VanDerWaalsContact O-N 3.09Å; G204-F207 PolarHBondContact O-N 2.83Å; F207-A210 PolarHBondContact O-N 3.1Å; F207-G211 PolarHBondContact O-N 3.33Å |
| 208 | L | 86.4 | Confident | 80.4 | Confident | 111 Ų | 111 | 96.4 Ų | 96.4 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 174.7 | -80.2 | 164.7 | 0 | 0 | 0 | 111.8 | G204 L205 G211 L212 | G204-L208 WeakPolarHBondContact O-CG 3.39Å; G204-L208 PolarHBondContact O-N 3.4Å; L205-L208 PolarHBondContact O-N 3.25Å; L208-G211 PolarHBondContact O-N 3.36Å; L208-L212 WeakPolarHBondContact O-CB 3.29Å; L208-L212 PolarHBondContact O-N 2.96Å |
| 209 | G | 86.6 | Confident | 80.2 | Confident | 39 Ų | 39 | 98.7 Ų | 98.7 | 40% | 0.402 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L205 L206 L212 F213 | L205-G209 PolarHBondContact O-N 3.29Å; L206-G209 PolarHBondContact O-N 3.28Å; G209-L212 PolarHBondContact O-N 3.31Å; G209-F213 WeakPolarHBondContact O-CB 3.38Å; G209-F213 PolarHBondContact O-N 3.49Å |
| 210 | A | 87 | Confident | 79.7 | Confident | 51 Ų | 51 | 108.7 Ų | 108.7 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L206 F207 F213 I214 | L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 2.64Å; F207-A210 PolarHBondContact O-N 3.1Å; A210-F213 PolarHBondContact O-N 3.23Å; A210-I214 WeakPolarHBondContact O-CG1 3.47Å; A210-I214 PolarHBondContact O-N 2.96Å |
| 211 | G | 84.2 | Confident | 80 | Confident | 40 Ų | 40 | 111.9 Ų | 111.9 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.8 | -46.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F207 L208 I214 Y215 | F207-G211 PolarHBondContact O-N 3.33Å; L208-G211 PolarHBondContact O-N 3.36Å; G211-I214 PolarHBondContact O-N 2.96Å; G211-Y215 VanDerWaalsContact O-CB 3.3Å; G211-Y215 WeakPolarHBondContact O-CB 3.47Å; G211-Y215 PolarHBondContact O-N 3.14Å |
| 212 | L | 86.5 | Confident | 80.2 | Confident | 93 Ų | 93 | 110.1 Ų | 110.1 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.3 | -43.3 | 174.2 | -89 | 149.4 | 0 | 0 | 0 | 111.7 | L208 G209 Y215 F216 | L208-L212 WeakPolarHBondContact O-CB 3.29Å; L208-L212 PolarHBondContact O-N 2.96Å; G209-L212 PolarHBondContact O-N 3.31Å; L212-Y215 PolarHBondContact O-N 3.41Å; L212-F216 HydrophobicContact CD2-CD2 4.29Å; L212-F216 HydrophobicContact CD2-CE2 3.59Å; L212-F216 HydrophobicContact CD2-CZ 4.39Å; L212-F216 WeakPolarHBondContact O-CD2 3.37Å; L212-F216 PolarHBondContact O-N 3.41Å |
| 213 | F | 83.1 | Confident | 80.2 | Confident | 143 Ų | 143 | 111.9 Ų | 111.9 | 63% | 0.627 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.5 | -45.9 | 177.6 | -177.9 | -98.4 | 0 | 0 | 0 | 112.3 | G209 A210 R217 | G209-F213 WeakPolarHBondContact O-CB 3.38Å; G209-F213 PolarHBondContact O-N 3.49Å; A210-F213 PolarHBondContact O-N 3.23Å; F213-R217 WeakPolarHBondContact O-CB 3.46Å; F213-R217 PolarHBondContact O-N 2.97Å |
| 214 | I | 82.6 | Confident | 80.2 | Confident | 100 Ų | 100 | 112.6 Ų | 112.6 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.2 | -43.8 | 176.5 | -66.9 | 168.2 | 0 | 0 | 0 | 110.7 | A210 G211 F216 R217 N218 | A210-I214 WeakPolarHBondContact O-CG1 3.47Å; A210-I214 PolarHBondContact O-N 2.96Å; G211-I214 PolarHBondContact O-N 2.96Å; I214-F216 PolarHBondContact O-N 3.43Å; I214-R217 PolarHBondContact O-N 3.37Å; I214-N218 PolarHBondContact O-N 2.94Å |
| 215 | Y | 83.5 | Confident | 80.1 | Confident | 130 Ų | 130 | 117.7 Ų | 117.7 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.3 | -49.2 | 178.2 | 176.9 | -96.1 | 0 | 0 | 0 | 112 | G211 L212 R217 N218 Q219 | G211-Y215 VanDerWaalsContact O-CB 3.3Å; G211-Y215 WeakPolarHBondContact O-CB 3.47Å; G211-Y215 PolarHBondContact O-N 3.14Å; L212-Y215 PolarHBondContact O-N 3.41Å; Y215-R217 VanDerWaalsContact C-N 3.3Å; Y215-R217 PolarHBondContact O-N 2.75Å; Y215-N218 PolarHBondContact O-N 3.16Å; Y215-Q219 HydrophobicContact CE1-CG 4.41Å; Y215-Q219 PolarHBondContact O-N 2.69Å; Y215-Q219 PolarHBondContact OH-NE2 2.92Å; Y215-Q219 VanDerWaalsContact OH-NE2 3.08Å |
| 216 | F | 78.8 | Confident | 79.6 | Confident | 125 Ų | 125 | 119.1 Ų | 119.1 | 55% | 0.548 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -29 | 177.3 | -77.6 | -62.2 | 0 | 0 | 0 | 113.3 | L212 I214 N218 | L212-F216 HydrophobicContact CD2-CD2 4.29Å; L212-F216 HydrophobicContact CD2-CE2 3.59Å; L212-F216 HydrophobicContact CD2-CZ 4.39Å; L212-F216 WeakPolarHBondContact O-CD2 3.37Å; L212-F216 PolarHBondContact O-N 3.41Å; I214-F216 PolarHBondContact O-N 3.43Å; F216-N218 VanDerWaalsContact C-N 3.35Å |
| 217 | R | 75.4 | Confident | 79.3 | Confident | 176 Ų | 176 | 119.4 Ų | 119.4 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.1 | -27 | 175.4 | -149.5 | -179.1 | 85.2 | 159.2 | 6.4 | 112.9 | F213 I214 Y215 | F213-R217 WeakPolarHBondContact O-CB 3.46Å; F213-R217 PolarHBondContact O-N 2.97Å; I214-R217 PolarHBondContact O-N 3.37Å; Y215-R217 VanDerWaalsContact C-N 3.3Å; Y215-R217 PolarHBondContact O-N 2.75Å |
| 218 | N | 70.4 | Confident | 78.8 | Confident | 128 Ų | 128 | 116.4 Ų | 116.4 | 68% | 0.684 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86.2 | -10.3 | 175.9 | -87.2 | 3.9 | 0 | 0 | 0 | 113.8 | I214 Y215 F216 | I214-N218 PolarHBondContact O-N 2.94Å; Y215-N218 PolarHBondContact O-N 3.16Å; F216-N218 VanDerWaalsContact C-N 3.35Å |
| 219 | Q | 65.3 | Low | 78.2 | Confident | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 58% | 0.579 | S | S | * | * | trans | -96.2 | 3 | 174.5 | -72.9 | -151 | -32.6 | 0 | 0 | 114 | Y215 | Y215-Q219 HydrophobicContact CE1-CG 4.41Å; Y215-Q219 PolarHBondContact O-N 2.69Å; Y215-Q219 PolarHBondContact OH-NE2 2.92Å; Y215-Q219 VanDerWaalsContact OH-NE2 3.08Å | ||
| 220 | K | 55 | Low | 77.4 | Confident | 246 Ų | 246 | 123.9 Ų | 123.9 | 100% | 1.07 | 60% | 0.595 | S | S | * | * | trans | -106.3 | 0 | 166.6 | -80.5 | -173.9 | 176.7 | -178.2 | 0 | 109.6 |
Retrieved 220 of 220 residues in 340.9 ms
(Link to these results)